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 1ww2_1_A DATA FIRST_RESID 12 DATA SEQUENCE QISVRGLAGV ENVTELKKNF NRHLHFTLVK DRNVATPRDY YFALAHTVRD DATA SEQUENCE HLVGRWIRTQ QHYYEKDPKR IYYLSLEFYM GRTLQNTMVN LALENACDEA DATA SEQUENCE TYQLGLDMEE LEEIEEDAGL GNGGLGRLAA CFLDSMATLG LAAYGYGIRY DATA SEQUENCE EFGIFNQKIC GGWQMEEADD WLRYGNPWEK ARPEFTLPVH FYGRVEHTSQ DATA SEQUENCE GAKWVDTQVV LAMPYDTPVP GYRNNVVNTM RLWSAKAPND FNLKDFNVGG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVIP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMKF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPAP 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 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.984 176.000 -0.026 0.000 1.003 12 Q CA 0.000 55.776 55.803 -0.045 0.000 1.022 12 Q CB 0.000 28.709 28.738 -0.049 0.000 1.108 13 I N -1.168 119.393 120.570 -0.015 0.000 2.499 13 I HA 0.415 4.582 4.170 -0.004 0.000 0.296 13 I C 1.440 177.559 176.117 0.003 0.000 0.992 13 I CA -0.219 61.080 61.300 -0.002 0.000 1.297 13 I CB 1.612 39.616 38.000 0.007 0.000 1.410 13 I HN 0.793 nan 8.210 nan 0.000 0.507 14 S N 4.199 119.906 115.700 0.011 0.000 2.359 14 S HA -0.221 4.246 4.470 -0.004 0.000 0.223 14 S C 1.748 176.359 174.600 0.019 0.000 1.039 14 S CA 1.711 59.919 58.200 0.014 0.000 1.042 14 S CB -1.348 61.865 63.200 0.022 0.000 0.915 14 S HN 0.932 nan 8.310 nan 0.000 0.439 15 V N -0.254 119.679 119.914 0.032 0.000 3.186 15 V HA 0.098 4.216 4.120 -0.004 0.000 0.270 15 V C 2.045 178.155 176.094 0.027 0.000 1.149 15 V CA 1.489 63.812 62.300 0.037 0.000 1.160 15 V CB -1.239 30.614 31.823 0.052 0.000 0.758 15 V HN 0.443 nan 8.190 nan 0.000 0.516 16 R N 1.207 121.714 120.500 0.012 0.000 2.356 16 R HA 0.441 4.778 4.340 -0.004 0.000 0.234 16 R C 1.145 177.438 176.300 -0.012 0.000 0.929 16 R CA 0.537 56.638 56.100 0.001 0.000 1.084 16 R CB 0.017 30.314 30.300 -0.005 0.000 1.105 16 R HN 0.769 nan 8.270 nan 0.000 0.515 17 G N 0.985 109.777 108.800 -0.013 0.000 2.728 17 G HA2 -0.251 3.706 3.960 -0.004 0.000 0.294 17 G HA3 -0.251 3.706 3.960 -0.004 0.000 0.294 17 G C -0.618 174.267 174.900 -0.026 0.000 1.342 17 G CA -0.969 44.115 45.100 -0.028 0.000 0.866 17 G HN 0.104 nan 8.290 nan 0.000 0.534 18 L N -0.015 121.189 121.223 -0.031 0.000 2.343 18 L HA 0.693 5.031 4.340 -0.004 0.000 0.275 18 L C 0.961 177.815 176.870 -0.026 0.000 1.056 18 L CA -0.297 54.528 54.840 -0.025 0.000 0.804 18 L CB 1.915 43.959 42.059 -0.024 0.000 1.203 18 L HN 1.236 nan 8.230 nan 0.000 0.440 19 A N 1.895 124.703 122.820 -0.020 0.000 3.150 19 A HA 0.569 4.887 4.320 -0.004 0.000 0.328 19 A C 0.323 177.902 177.584 -0.009 0.000 1.104 19 A CA -0.389 51.638 52.037 -0.016 0.000 0.937 19 A CB -0.105 18.886 19.000 -0.016 0.000 1.073 19 A HN 0.767 nan 8.150 nan 0.000 0.497 20 G N 0.312 109.107 108.800 -0.008 0.000 2.338 20 G HA2 0.431 4.389 3.960 -0.004 0.000 0.295 20 G HA3 0.431 4.389 3.960 -0.004 0.000 0.295 20 G C 0.979 175.881 174.900 0.004 0.000 1.132 20 G CA 0.200 45.299 45.100 -0.003 0.000 0.922 20 G HN 0.714 nan 8.290 nan 0.000 0.427 21 V N 2.946 122.864 119.914 0.007 0.000 2.408 21 V HA -0.446 3.672 4.120 -0.004 0.000 0.234 21 V C 2.619 178.722 176.094 0.016 0.000 1.047 21 V CA 2.861 65.168 62.300 0.011 0.000 1.096 21 V CB -1.239 30.589 31.823 0.010 0.000 0.917 21 V HN 0.749 nan 8.190 nan 0.000 0.479 22 E N -0.064 120.146 120.200 0.016 0.000 2.085 22 E HA -0.199 4.149 4.350 -0.004 0.000 0.194 22 E C 1.913 178.532 176.600 0.032 0.000 0.994 22 E CA 1.873 58.286 56.400 0.023 0.000 0.801 22 E CB -0.350 29.362 29.700 0.021 0.000 0.743 22 E HN 0.745 nan 8.360 nan 0.000 0.453 23 N N -0.854 117.861 118.700 0.026 0.000 2.058 23 N HA -0.136 4.601 4.740 -0.004 0.000 0.191 23 N C 1.651 177.184 175.510 0.038 0.000 1.037 23 N CA 1.312 54.380 53.050 0.030 0.000 0.848 23 N CB -0.198 38.290 38.487 0.002 0.000 1.021 23 N HN -0.018 nan 8.380 nan 0.000 0.422 24 V N 0.249 120.178 119.914 0.025 0.000 2.332 24 V HA -0.245 3.872 4.120 -0.004 0.000 0.248 24 V C 2.056 178.173 176.094 0.037 0.000 1.055 24 V CA 1.952 64.269 62.300 0.027 0.000 1.038 24 V CB -0.993 30.841 31.823 0.020 0.000 0.651 24 V HN 0.414 nan 8.190 nan 0.000 0.450 25 T N -0.570 114.005 114.554 0.035 0.000 2.746 25 T HA -0.231 4.117 4.350 -0.004 0.000 0.267 25 T C 1.934 176.668 174.700 0.057 0.000 1.039 25 T CA 1.829 63.951 62.100 0.038 0.000 1.142 25 T CB -0.218 68.668 68.868 0.030 0.000 0.866 25 T HN 0.490 nan 8.240 nan 0.000 0.444 26 E N 0.978 121.219 120.200 0.069 0.000 2.072 26 E HA -0.014 4.334 4.350 -0.004 0.000 0.191 26 E C 2.038 178.717 176.600 0.132 0.000 0.985 26 E CA 0.918 57.373 56.400 0.093 0.000 0.801 26 E CB -0.511 29.252 29.700 0.105 0.000 0.750 26 E HN 0.449 nan 8.360 nan 0.000 0.452 27 L N 0.087 121.395 121.223 0.142 0.000 2.046 27 L HA -0.167 4.170 4.340 -0.004 0.000 0.208 27 L C 2.418 179.400 176.870 0.187 0.000 1.077 27 L CA 1.472 56.423 54.840 0.186 0.000 0.747 27 L CB -0.336 41.806 42.059 0.138 0.000 0.896 27 L HN 0.073 nan 8.230 nan 0.000 0.432 28 K N 0.123 120.592 120.400 0.114 0.000 2.057 28 K HA -0.226 4.091 4.320 -0.004 0.000 0.207 28 K C 2.143 178.844 176.600 0.167 0.000 1.049 28 K CA 1.343 57.687 56.287 0.096 0.000 0.931 28 K CB -0.118 32.396 32.500 0.023 0.000 0.714 28 K HN 0.175 nan 8.250 nan 0.000 0.440 29 K N 1.054 121.533 120.400 0.131 0.000 2.026 29 K HA -0.148 4.170 4.320 -0.004 0.000 0.208 29 K C 1.686 178.373 176.600 0.145 0.000 1.048 29 K CA 1.507 57.865 56.287 0.117 0.000 0.929 29 K CB 0.003 32.550 32.500 0.079 0.000 0.713 29 K HN 0.084 nan 8.250 nan 0.000 0.439 30 N N 0.149 118.946 118.700 0.162 0.000 2.309 30 N HA -0.144 4.594 4.740 -0.004 0.000 0.182 30 N C 1.656 177.317 175.510 0.251 0.000 1.018 30 N CA 0.912 54.053 53.050 0.152 0.000 0.876 30 N CB -0.220 38.364 38.487 0.162 0.000 0.972 30 N HN 0.215 nan 8.380 nan 0.000 0.434 31 F N 2.585 122.634 119.950 0.164 0.000 2.102 31 F HA -0.081 4.444 4.527 -0.004 0.000 0.298 31 F C 1.994 177.898 175.800 0.173 0.000 1.105 31 F CA 1.260 59.373 58.000 0.188 0.000 1.239 31 F CB -0.160 38.922 39.000 0.136 0.000 0.991 31 F HN -0.041 nan 8.300 nan 0.000 0.474 32 N N 0.432 119.367 118.700 0.392 0.000 2.244 32 N HA -0.164 4.573 4.740 -0.004 0.000 0.183 32 N C 2.023 177.610 175.510 0.129 0.000 1.016 32 N CA 0.899 54.097 53.050 0.247 0.000 0.866 32 N CB -0.478 38.130 38.487 0.201 0.000 0.980 32 N HN 0.388 nan 8.380 nan 0.000 0.430 33 R N 0.312 120.887 120.500 0.126 0.000 2.070 33 R HA -0.090 4.247 4.340 -0.004 0.000 0.233 33 R C 1.787 178.160 176.300 0.121 0.000 1.137 33 R CA 1.450 57.640 56.100 0.150 0.000 0.945 33 R CB -0.192 30.123 30.300 0.025 0.000 0.845 33 R HN 0.369 nan 8.270 nan 0.000 0.430 34 H N -0.347 118.759 119.070 0.060 0.000 2.387 34 H HA -0.130 4.424 4.556 -0.004 0.000 0.299 34 H C 1.855 177.112 175.328 -0.117 0.000 1.090 34 H CA 1.421 57.439 56.048 -0.050 0.000 1.332 34 H CB 0.066 29.756 29.762 -0.120 0.000 1.386 34 H HN 0.122 nan 8.280 nan 0.000 0.516 35 L N -0.061 121.139 121.223 -0.038 0.000 2.083 35 L HA -0.189 4.149 4.340 -0.004 0.000 0.209 35 L C 2.161 179.003 176.870 -0.045 0.000 1.083 35 L CA 1.843 56.630 54.840 -0.087 0.000 0.752 35 L CB -0.401 41.616 42.059 -0.070 0.000 0.899 35 L HN 0.298 nan 8.230 nan 0.000 0.433 36 H N -1.716 117.264 119.070 -0.150 0.000 2.287 36 H HA -0.034 4.520 4.556 -0.004 0.000 0.309 36 H C 1.793 176.911 175.328 -0.350 0.000 1.059 36 H CA 2.204 58.067 56.048 -0.308 0.000 1.357 36 H CB -0.288 29.176 29.762 -0.496 0.000 1.409 36 H HN 0.277 nan 8.280 nan 0.000 0.515 37 F N -0.306 119.620 119.950 -0.040 0.000 2.234 37 F HA -0.035 4.489 4.527 -0.004 0.000 0.296 37 F C 2.615 178.335 175.800 -0.134 0.000 1.089 37 F CA 1.428 59.360 58.000 -0.113 0.000 1.343 37 F CB -0.520 38.450 39.000 -0.050 0.000 1.040 37 F HN 0.178 nan 8.300 nan 0.000 0.498 38 T N -0.191 114.394 114.554 0.051 0.000 2.852 38 T HA 0.001 4.349 4.350 -0.004 0.000 0.256 38 T C 1.721 176.326 174.700 -0.158 0.000 1.038 38 T CA 0.808 62.863 62.100 -0.076 0.000 1.141 38 T CB -0.216 68.571 68.868 -0.135 0.000 0.869 38 T HN -0.056 nan 8.240 nan 0.000 0.439 39 L N 0.912 122.041 121.223 -0.157 0.000 2.446 39 L HA 0.280 4.617 4.340 -0.004 0.000 0.219 39 L C 0.665 177.438 176.870 -0.161 0.000 1.116 39 L CA 0.319 55.057 54.840 -0.170 0.000 0.844 39 L CB -0.679 41.287 42.059 -0.155 0.000 0.970 39 L HN 0.039 nan 8.230 nan 0.000 0.457 40 V N 0.290 120.093 119.914 -0.185 0.000 6.125 40 V HA -0.292 3.826 4.120 -0.004 0.000 0.281 40 V C 0.374 176.355 176.094 -0.189 0.000 0.591 40 V CA 0.806 62.968 62.300 -0.230 0.000 0.617 40 V CB -2.080 29.636 31.823 -0.179 0.000 0.336 40 V HN 0.444 nan 8.190 nan 0.000 0.650 41 K N 1.044 121.341 120.400 -0.171 0.000 2.495 41 K HA 0.722 5.039 4.320 -0.004 0.000 0.268 41 K C -0.765 175.806 176.600 -0.050 0.000 1.008 41 K CA -0.562 55.659 56.287 -0.110 0.000 0.882 41 K CB 2.922 35.354 32.500 -0.112 0.000 1.443 41 K HN 0.499 nan 8.250 nan 0.000 0.447 42 D N -0.372 120.019 120.400 -0.014 0.000 2.477 42 D HA 0.289 4.926 4.640 -0.004 0.000 0.234 42 D C 0.539 176.874 176.300 0.058 0.000 1.048 42 D CA -0.619 53.408 54.000 0.044 0.000 0.959 42 D CB 1.099 41.925 40.800 0.042 0.000 1.408 42 D HN 0.150 nan 8.370 nan 0.000 0.496 43 R N 0.361 120.926 120.500 0.109 0.000 2.261 43 R HA -0.052 4.285 4.340 -0.004 0.000 0.236 43 R C 0.982 177.353 176.300 0.119 0.000 1.141 43 R CA 0.582 56.782 56.100 0.168 0.000 1.001 43 R CB -0.748 29.651 30.300 0.166 0.000 0.866 43 R HN 0.523 nan 8.270 nan 0.000 0.468 44 N N 0.206 118.945 118.700 0.065 0.000 2.354 44 N HA -0.072 4.666 4.740 -0.004 0.000 0.179 44 N C 1.487 177.014 175.510 0.028 0.000 1.021 44 N CA 1.308 54.385 53.050 0.046 0.000 0.887 44 N CB 0.410 38.914 38.487 0.029 0.000 0.974 44 N HN 0.224 nan 8.380 nan 0.000 0.437 45 V N -3.033 116.885 119.914 0.006 0.000 3.432 45 V HA 0.546 4.664 4.120 -0.004 0.000 0.298 45 V C 0.621 176.679 176.094 -0.060 0.000 1.464 45 V CA -0.628 61.661 62.300 -0.018 0.000 1.046 45 V CB -0.152 31.656 31.823 -0.025 0.000 0.887 45 V HN 0.019 nan 8.190 nan 0.000 0.441 46 A N 2.064 124.825 122.820 -0.098 0.000 2.440 46 A HA 0.634 4.952 4.320 -0.004 0.000 0.251 46 A C 0.721 178.120 177.584 -0.310 0.000 1.089 46 A CA 0.706 52.573 52.037 -0.284 0.000 0.779 46 A CB 0.024 18.723 19.000 -0.501 0.000 1.022 46 A HN 0.812 nan 8.150 nan 0.000 0.492 47 T N 0.240 114.621 114.554 -0.288 0.000 2.936 47 T HA 0.561 4.909 4.350 -0.004 0.000 0.282 47 T C -2.135 172.485 174.700 -0.133 0.000 1.003 47 T CA -1.777 60.242 62.100 -0.134 0.000 1.005 47 T CB 1.175 70.012 68.868 -0.051 0.000 1.097 47 T HN 0.236 nan 8.240 nan 0.000 0.532 48 P HA -0.098 nan 4.420 nan 0.000 0.216 48 P C 1.603 179.021 177.300 0.197 0.000 1.150 48 P CA 0.976 64.212 63.100 0.226 0.000 0.843 48 P CB 0.052 31.852 31.700 0.165 0.000 0.787 49 R N -0.136 120.429 120.500 0.108 0.000 2.092 49 R HA -0.131 4.206 4.340 -0.004 0.000 0.231 49 R C 1.576 178.062 176.300 0.309 0.000 1.119 49 R CA 1.661 57.874 56.100 0.188 0.000 0.970 49 R CB -0.622 29.714 30.300 0.061 0.000 0.864 49 R HN 0.087 nan 8.270 nan 0.000 0.440 50 D N -0.270 120.179 120.400 0.082 0.000 2.117 50 D HA -0.176 4.462 4.640 -0.004 0.000 0.197 50 D C 1.670 177.996 176.300 0.043 0.000 0.987 50 D CA 1.274 55.273 54.000 -0.002 0.000 0.829 50 D CB -0.304 40.348 40.800 -0.247 0.000 0.961 50 D HN 0.291 nan 8.370 nan 0.000 0.460 51 Y N 0.062 120.475 120.300 0.189 0.000 2.242 51 Y HA -0.196 4.352 4.550 -0.004 0.000 0.291 51 Y C 2.316 178.355 175.900 0.232 0.000 1.137 51 Y CA 0.309 58.564 58.100 0.258 0.000 1.181 51 Y CB -1.123 37.547 38.460 0.350 0.000 0.989 51 Y HN 0.084 nan 8.280 nan 0.000 0.527 52 Y N -0.470 119.988 120.300 0.264 0.000 2.128 52 Y HA -0.287 4.261 4.550 -0.004 0.000 0.284 52 Y C 1.942 177.830 175.900 -0.020 0.000 1.154 52 Y CA 1.311 59.465 58.100 0.091 0.000 1.149 52 Y CB -1.139 37.284 38.460 -0.061 0.000 0.976 52 Y HN 0.047 nan 8.280 nan 0.000 0.505 53 F N 0.181 119.915 119.950 -0.360 0.000 2.234 53 F HA -0.103 4.422 4.527 -0.004 0.000 0.299 53 F C 2.619 178.255 175.800 -0.272 0.000 1.087 53 F CA 1.259 58.997 58.000 -0.437 0.000 1.340 53 F CB -0.780 38.140 39.000 -0.134 0.000 1.031 53 F HN 0.202 nan 8.300 nan 0.000 0.500 54 A N -0.283 122.475 122.820 -0.102 0.000 1.930 54 A HA -0.158 4.159 4.320 -0.004 0.000 0.217 54 A C 2.047 179.497 177.584 -0.223 0.000 1.175 54 A CA 1.415 53.263 52.037 -0.314 0.000 0.627 54 A CB -0.929 17.539 19.000 -0.887 0.000 0.815 54 A HN 0.339 nan 8.150 nan 0.000 0.443 55 L N -0.328 120.876 121.223 -0.031 0.000 2.093 55 L HA 0.028 4.366 4.340 -0.004 0.000 0.208 55 L C 2.623 179.481 176.870 -0.020 0.000 1.085 55 L CA 2.012 56.964 54.840 0.187 0.000 0.755 55 L CB -0.854 41.386 42.059 0.302 0.000 0.904 55 L HN 0.329 nan 8.230 nan 0.000 0.435 56 A N -1.227 121.404 122.820 -0.315 0.000 1.877 56 A HA -0.264 4.053 4.320 -0.004 0.000 0.216 56 A C 2.139 179.387 177.584 -0.559 0.000 1.186 56 A CA 1.915 53.652 52.037 -0.501 0.000 0.620 56 A CB -1.048 17.326 19.000 -1.044 0.000 0.822 56 A HN 0.648 nan 8.150 nan 0.000 0.443 57 H N -0.721 118.033 119.070 -0.525 0.000 2.387 57 H HA -0.055 4.499 4.556 -0.004 0.000 0.299 57 H C 2.302 177.356 175.328 -0.457 0.000 1.090 57 H CA 1.973 57.633 56.048 -0.646 0.000 1.332 57 H CB -0.150 28.954 29.762 -1.098 0.000 1.386 57 H HN 0.463 nan 8.280 nan 0.000 0.516 58 T N -0.414 114.085 114.554 -0.092 0.000 2.777 58 T HA -0.120 4.227 4.350 -0.004 0.000 0.266 58 T C 2.246 177.102 174.700 0.260 0.000 1.040 58 T CA 1.289 63.513 62.100 0.207 0.000 1.141 58 T CB -0.342 68.716 68.868 0.318 0.000 0.868 58 T HN 0.100 nan 8.240 nan 0.000 0.444 59 V N 1.556 121.604 119.914 0.224 0.000 2.358 59 V HA -0.114 4.004 4.120 -0.004 0.000 0.246 59 V C 2.603 178.877 176.094 0.301 0.000 1.047 59 V CA 1.579 64.061 62.300 0.304 0.000 1.035 59 V CB -0.630 31.367 31.823 0.291 0.000 0.658 59 V HN 0.372 nan 8.190 nan 0.000 0.452 60 R N 0.318 120.942 120.500 0.207 0.000 2.105 60 R HA -0.230 4.107 4.340 -0.004 0.000 0.239 60 R C 1.964 178.361 176.300 0.161 0.000 1.135 60 R CA 2.203 58.420 56.100 0.195 0.000 0.967 60 R CB -0.435 29.822 30.300 -0.071 0.000 0.861 60 R HN 0.473 nan 8.270 nan 0.000 0.442 61 D N -0.089 120.382 120.400 0.118 0.000 2.123 61 D HA -0.180 4.458 4.640 -0.004 0.000 0.196 61 D C 1.742 178.043 176.300 0.001 0.000 0.992 61 D CA 1.211 55.246 54.000 0.059 0.000 0.833 61 D CB -0.446 40.369 40.800 0.024 0.000 0.954 61 D HN 0.457 nan 8.370 nan 0.000 0.455 62 H N -0.590 118.547 119.070 0.112 0.000 2.521 62 H HA -0.034 4.520 4.556 -0.004 0.000 0.286 62 H C 1.958 177.330 175.328 0.074 0.000 1.034 62 H CA 0.362 56.459 56.048 0.082 0.000 1.278 62 H CB 0.241 30.044 29.762 0.067 0.000 1.386 62 H HN 0.119 nan 8.280 nan 0.000 0.567 63 L N 0.064 121.400 121.223 0.188 0.000 2.202 63 L HA -0.035 4.302 4.340 -0.004 0.000 0.205 63 L C 2.361 179.343 176.870 0.187 0.000 1.083 63 L CA 0.702 55.622 54.840 0.132 0.000 0.790 63 L CB -0.371 41.743 42.059 0.091 0.000 0.942 63 L HN -0.096 nan 8.230 nan 0.000 0.452 64 V N 0.063 120.111 119.914 0.224 0.000 2.252 64 V HA -0.282 3.836 4.120 -0.004 0.000 0.249 64 V C 2.596 178.813 176.094 0.206 0.000 1.056 64 V CA 2.006 64.476 62.300 0.283 0.000 1.022 64 V CB -1.732 30.208 31.823 0.195 0.000 0.641 64 V HN 0.582 nan 8.190 nan 0.000 0.445 65 G N 0.060 108.934 108.800 0.123 0.000 2.476 65 G HA2 -0.282 3.676 3.960 -0.004 0.000 0.218 65 G HA3 -0.282 3.676 3.960 -0.004 0.000 0.218 65 G C 1.702 176.655 174.900 0.088 0.000 1.164 65 G CA 1.057 46.205 45.100 0.081 0.000 0.768 65 G HN 0.511 nan 8.290 nan 0.000 0.560 66 R N -1.490 119.071 120.500 0.102 0.000 2.115 66 R HA -0.049 4.288 4.340 -0.004 0.000 0.230 66 R C 2.271 178.656 176.300 0.141 0.000 1.111 66 R CA 1.007 57.154 56.100 0.077 0.000 0.976 66 R CB -0.364 29.964 30.300 0.045 0.000 0.870 66 R HN 0.481 nan 8.270 nan 0.000 0.445 67 W N 1.962 123.246 121.300 -0.027 0.000 2.355 67 W HA -0.056 4.602 4.660 -0.004 0.000 0.309 67 W C 1.687 178.183 176.519 -0.038 0.000 1.206 67 W CA 0.813 58.139 57.345 -0.030 0.000 1.284 67 W CB -0.505 28.956 29.460 0.002 0.000 1.145 67 W HN -0.062 nan 8.180 nan 0.000 0.502 68 I N 1.083 121.718 120.570 0.108 0.000 2.252 68 I HA -0.323 3.845 4.170 -0.004 0.000 0.245 68 I C 2.610 178.713 176.117 -0.022 0.000 1.102 68 I CA 1.887 63.161 61.300 -0.044 0.000 1.385 68 I CB -0.566 37.410 38.000 -0.040 0.000 1.064 68 I HN -0.007 nan 8.210 nan 0.000 0.414 69 R N 0.090 120.593 120.500 0.004 0.000 2.153 69 R HA -0.005 4.332 4.340 -0.004 0.000 0.218 69 R C 1.939 178.211 176.300 -0.047 0.000 1.072 69 R CA 1.256 57.349 56.100 -0.011 0.000 0.990 69 R CB -1.081 29.212 30.300 -0.012 0.000 0.889 69 R HN 0.155 nan 8.270 nan 0.000 0.452 70 T N 1.671 116.176 114.554 -0.081 0.000 2.708 70 T HA -0.107 4.241 4.350 -0.004 0.000 0.266 70 T C 1.819 176.270 174.700 -0.415 0.000 1.037 70 T CA 1.357 63.302 62.100 -0.258 0.000 1.146 70 T CB -0.107 68.644 68.868 -0.196 0.000 0.865 70 T HN 0.230 nan 8.240 nan 0.000 0.435 71 Q N 0.782 120.475 119.800 -0.178 0.000 2.124 71 Q HA -0.089 4.249 4.340 -0.004 0.000 0.202 71 Q C 2.349 178.364 176.000 0.026 0.000 0.977 71 Q CA 1.288 57.054 55.803 -0.061 0.000 0.850 71 Q CB -0.521 28.214 28.738 -0.004 0.000 0.901 71 Q HN 0.477 nan 8.270 nan 0.000 0.429 72 Q N 0.115 119.925 119.800 0.017 0.000 2.124 72 Q HA -0.181 4.157 4.340 -0.004 0.000 0.202 72 Q C 1.891 177.987 176.000 0.159 0.000 0.977 72 Q CA 1.835 57.694 55.803 0.094 0.000 0.850 72 Q CB -0.361 28.413 28.738 0.060 0.000 0.901 72 Q HN 0.538 nan 8.270 nan 0.000 0.429 73 H N -0.950 118.103 119.070 -0.027 0.000 2.319 73 H HA -0.175 4.379 4.556 -0.004 0.000 0.299 73 H C 1.131 176.533 175.328 0.123 0.000 1.092 73 H CA 2.251 58.293 56.048 -0.010 0.000 1.302 73 H CB -0.326 29.361 29.762 -0.123 0.000 1.373 73 H HN 0.351 nan 8.280 nan 0.000 0.497 74 Y N -1.073 119.261 120.300 0.057 0.000 2.274 74 Y HA -0.177 4.370 4.550 -0.004 0.000 0.290 74 Y C 2.384 178.311 175.900 0.045 0.000 1.145 74 Y CA 0.984 59.087 58.100 0.005 0.000 1.203 74 Y CB -1.252 37.273 38.460 0.108 0.000 0.984 74 Y HN 0.364 nan 8.280 nan 0.000 0.533 75 Y N 1.217 121.596 120.300 0.130 0.000 2.200 75 Y HA -0.150 4.398 4.550 -0.004 0.000 0.290 75 Y C 2.098 178.006 175.900 0.013 0.000 1.137 75 Y CA 1.557 59.697 58.100 0.066 0.000 1.163 75 Y CB -0.093 38.396 38.460 0.050 0.000 0.988 75 Y HN 0.030 nan 8.280 nan 0.000 0.518 76 E N 0.240 120.419 120.200 -0.034 0.000 2.028 76 E HA -0.147 4.200 4.350 -0.004 0.000 0.191 76 E C 1.859 178.361 176.600 -0.163 0.000 0.988 76 E CA 1.225 57.547 56.400 -0.131 0.000 0.799 76 E CB -0.158 29.530 29.700 -0.019 0.000 0.755 76 E HN 0.403 nan 8.360 nan 0.000 0.447 77 K N 0.790 121.082 120.400 -0.179 0.000 2.365 77 K HA -0.044 4.274 4.320 -0.004 0.000 0.197 77 K C 0.172 176.704 176.600 -0.114 0.000 1.042 77 K CA 0.363 56.552 56.287 -0.163 0.000 0.987 77 K CB -0.367 31.982 32.500 -0.252 0.000 0.779 77 K HN 0.062 nan 8.250 nan 0.000 0.484 78 D N 1.240 121.582 120.400 -0.096 0.000 2.735 78 D HA -0.113 4.524 4.640 -0.004 0.000 0.235 78 D C -2.185 174.084 176.300 -0.052 0.000 1.175 78 D CA 0.126 54.086 54.000 -0.067 0.000 0.683 78 D CB -0.193 40.541 40.800 -0.110 0.000 1.008 78 D HN 0.209 nan 8.370 nan 0.000 0.416 79 P HA 0.088 nan 4.420 nan 0.000 0.277 79 P C -0.165 177.091 177.300 -0.073 0.000 1.271 79 P CA -0.607 62.452 63.100 -0.067 0.000 0.795 79 P CB 0.639 32.285 31.700 -0.090 0.000 1.101 80 K N 0.974 121.333 120.400 -0.068 0.000 2.401 80 K HA 0.096 4.413 4.320 -0.004 0.000 0.278 80 K C -0.040 176.475 176.600 -0.143 0.000 1.018 80 K CA -0.071 56.171 56.287 -0.074 0.000 0.981 80 K CB 0.286 32.758 32.500 -0.046 0.000 0.933 80 K HN 0.312 nan 8.250 nan 0.000 0.477 81 R N 3.836 124.235 120.500 -0.168 0.000 2.460 81 R HA 0.372 4.709 4.340 -0.004 0.000 0.303 81 R C -0.518 175.499 176.300 -0.472 0.000 0.968 81 R CA -0.824 55.094 56.100 -0.303 0.000 0.889 81 R CB 1.058 31.202 30.300 -0.260 0.000 1.123 81 R HN 0.486 nan 8.270 nan 0.000 0.455 82 I N 3.984 124.227 120.570 -0.545 0.000 2.321 82 I HA 0.210 4.377 4.170 -0.004 0.000 0.291 82 I C -0.628 175.178 176.117 -0.518 0.000 0.998 82 I CA -0.747 60.179 61.300 -0.624 0.000 1.227 82 I CB 0.639 38.146 38.000 -0.821 0.000 1.368 82 I HN 0.520 nan 8.210 nan 0.000 0.466 83 Y N 5.989 126.258 120.300 -0.052 0.000 2.356 83 Y HA 0.292 4.840 4.550 -0.004 0.000 0.334 83 Y C -0.284 175.727 175.900 0.185 0.000 0.958 83 Y CA -0.738 57.462 58.100 0.166 0.000 1.196 83 Y CB 1.147 39.677 38.460 0.117 0.000 1.137 83 Y HN 0.397 nan 8.280 nan 0.000 0.485 84 Y N 4.789 125.280 120.300 0.318 0.000 2.454 84 Y HA 0.464 5.012 4.550 -0.004 0.000 0.345 84 Y C -0.801 175.371 175.900 0.453 0.000 0.970 84 Y CA -0.751 57.544 58.100 0.325 0.000 1.204 84 Y CB 0.346 39.000 38.460 0.323 0.000 1.122 84 Y HN 0.518 nan 8.280 nan 0.000 0.514 85 L N 5.403 126.700 121.223 0.123 0.000 2.276 85 L HA 0.471 4.809 4.340 -0.004 0.000 0.286 85 L C -0.046 176.867 176.870 0.072 0.000 1.061 85 L CA -0.342 54.626 54.840 0.214 0.000 0.807 85 L CB 1.142 43.284 42.059 0.138 0.000 1.177 85 L HN 0.558 nan 8.230 nan 0.000 0.429 86 S N 2.350 118.176 115.700 0.211 0.000 2.541 86 S HA 0.437 4.905 4.470 -0.004 0.000 0.271 86 S C 0.018 174.723 174.600 0.176 0.000 1.133 86 S CA -0.556 57.663 58.200 0.032 0.000 0.876 86 S CB 1.620 64.606 63.200 -0.356 0.000 1.105 86 S HN 0.486 nan 8.310 nan 0.000 0.470 87 L N 2.760 124.119 121.223 0.227 0.000 2.591 87 L HA 0.457 4.794 4.340 -0.004 0.000 0.228 87 L C 0.309 177.387 176.870 0.347 0.000 1.133 87 L CA 1.028 56.067 54.840 0.332 0.000 0.880 87 L CB -0.201 42.070 42.059 0.353 0.000 1.033 87 L HN 0.652 nan 8.230 nan 0.000 0.450 88 E N -1.296 118.984 120.200 0.134 0.000 2.292 88 E HA 0.413 4.760 4.350 -0.004 0.000 0.272 88 E C -1.390 175.097 176.600 -0.189 0.000 0.881 88 E CA -0.441 56.020 56.400 0.102 0.000 0.754 88 E CB 1.922 31.668 29.700 0.077 0.000 1.201 88 E HN -0.171 nan 8.360 nan 0.000 0.425 89 F N 2.131 122.188 119.950 0.177 0.000 2.902 89 F HA 0.168 4.693 4.527 -0.004 0.000 0.368 89 F C -0.918 174.962 175.800 0.134 0.000 1.202 89 F CA -0.759 57.332 58.000 0.152 0.000 1.109 89 F CB 0.976 40.057 39.000 0.136 0.000 1.418 89 F HN 0.483 nan 8.300 nan 0.000 0.527 90 Y N 5.292 125.664 120.300 0.121 0.000 2.632 90 Y HA 0.217 4.765 4.550 -0.004 0.000 0.336 90 Y C 0.985 176.906 175.900 0.035 0.000 1.237 90 Y CA -1.051 57.074 58.100 0.041 0.000 1.595 90 Y CB 0.349 38.814 38.460 0.009 0.000 1.508 90 Y HN 0.537 nan 8.280 nan 0.000 0.480 91 M N 1.600 121.362 119.600 0.270 0.000 2.288 91 M HA 0.114 4.591 4.480 -0.004 0.000 0.266 91 M C 1.569 177.872 176.300 0.004 0.000 1.072 91 M CA 1.115 56.473 55.300 0.097 0.000 1.132 91 M CB -1.256 31.369 32.600 0.042 0.000 1.386 91 M HN 0.689 nan 8.290 nan 0.000 0.432 92 G N 1.153 109.983 108.800 0.050 0.000 2.562 92 G HA2 -0.264 3.694 3.960 -0.004 0.000 0.250 92 G HA3 -0.264 3.694 3.960 -0.004 0.000 0.250 92 G C -0.284 174.590 174.900 -0.043 0.000 1.269 92 G CA -0.326 44.753 45.100 -0.035 0.000 0.919 92 G HN 0.436 nan 8.290 nan 0.000 0.574 93 R N -0.638 119.812 120.500 -0.084 0.000 2.582 93 R HA 0.559 4.897 4.340 -0.004 0.000 0.271 93 R C 1.041 177.237 176.300 -0.175 0.000 1.078 93 R CA 0.367 56.425 56.100 -0.070 0.000 1.127 93 R CB 0.661 30.923 30.300 -0.063 0.000 1.038 93 R HN 0.531 nan 8.270 nan 0.000 0.500 94 T N 1.154 115.556 114.554 -0.253 0.000 2.969 94 T HA -0.006 4.341 4.350 -0.004 0.000 0.250 94 T C 1.430 175.760 174.700 -0.615 0.000 1.021 94 T CA -0.204 61.537 62.100 -0.599 0.000 1.003 94 T CB 0.134 68.261 68.868 -1.236 0.000 1.040 94 T HN 0.297 nan 8.240 nan 0.000 0.492 95 L N 2.091 123.179 121.223 -0.225 0.000 1.956 95 L HA -0.092 4.246 4.340 -0.004 0.000 0.216 95 L C 2.463 179.301 176.870 -0.054 0.000 1.073 95 L CA 2.048 56.903 54.840 0.026 0.000 0.762 95 L CB -0.792 41.471 42.059 0.341 0.000 0.889 95 L HN 0.190 nan 8.230 nan 0.000 0.433 96 Q N -0.834 118.938 119.800 -0.047 0.000 2.096 96 Q HA -0.260 4.078 4.340 -0.004 0.000 0.204 96 Q C 2.239 178.171 176.000 -0.113 0.000 0.982 96 Q CA 1.907 57.673 55.803 -0.061 0.000 0.850 96 Q CB -0.319 28.380 28.738 -0.065 0.000 0.901 96 Q HN 0.690 nan 8.270 nan 0.000 0.422 97 N N -0.943 117.651 118.700 -0.176 0.000 2.104 97 N HA -0.149 4.589 4.740 -0.004 0.000 0.190 97 N C 1.372 176.777 175.510 -0.175 0.000 1.024 97 N CA 1.811 54.747 53.050 -0.191 0.000 0.853 97 N CB 0.047 38.387 38.487 -0.245 0.000 1.008 97 N HN 0.218 nan 8.380 nan 0.000 0.424 98 T N 1.217 115.632 114.554 -0.231 0.000 2.777 98 T HA -0.045 4.302 4.350 -0.004 0.000 0.266 98 T C 2.070 176.709 174.700 -0.101 0.000 1.040 98 T CA 1.032 63.011 62.100 -0.201 0.000 1.141 98 T CB -0.045 68.653 68.868 -0.284 0.000 0.868 98 T HN 0.266 nan 8.240 nan 0.000 0.444 99 M N 0.512 120.070 119.600 -0.070 0.000 2.117 99 M HA -0.080 4.397 4.480 -0.004 0.000 0.262 99 M C 2.484 178.754 176.300 -0.049 0.000 1.065 99 M CA 1.227 56.501 55.300 -0.042 0.000 1.114 99 M CB -0.618 31.973 32.600 -0.015 0.000 1.361 99 M HN 0.091 nan 8.290 nan 0.000 0.408 100 V N 1.026 120.915 119.914 -0.041 0.000 2.255 100 V HA -0.291 3.826 4.120 -0.004 0.000 0.247 100 V C 1.773 177.879 176.094 0.019 0.000 1.051 100 V CA 2.088 64.388 62.300 -0.000 0.000 1.018 100 V CB -0.904 30.920 31.823 0.003 0.000 0.641 100 V HN 0.475 nan 8.190 nan 0.000 0.445 101 N N -0.430 118.269 118.700 -0.001 0.000 2.381 101 N HA -0.060 4.677 4.740 -0.004 0.000 0.182 101 N C 1.084 176.504 175.510 -0.149 0.000 1.025 101 N CA 0.745 53.779 53.050 -0.026 0.000 0.888 101 N CB -0.127 38.350 38.487 -0.017 0.000 0.965 101 N HN 0.285 nan 8.380 nan 0.000 0.438 102 L N -0.332 120.820 121.223 -0.119 0.000 2.640 102 L HA 0.410 4.748 4.340 -0.004 0.000 0.230 102 L C 0.428 177.215 176.870 -0.139 0.000 1.123 102 L CA -0.198 54.567 54.840 -0.124 0.000 0.900 102 L CB -0.708 41.301 42.059 -0.082 0.000 1.146 102 L HN 0.095 nan 8.230 nan 0.000 0.484 103 A N -0.221 122.517 122.820 -0.137 0.000 2.800 103 A HA -0.208 4.109 4.320 -0.004 0.000 0.292 103 A C 0.934 178.459 177.584 -0.098 0.000 1.474 103 A CA 1.085 53.052 52.037 -0.117 0.000 0.744 103 A CB -2.006 16.908 19.000 -0.143 0.000 1.044 103 A HN 0.312 nan 8.150 nan 0.000 0.489 104 L N -1.572 119.598 121.223 -0.088 0.000 2.858 104 L HA 0.191 4.529 4.340 -0.004 0.000 0.251 104 L C 1.843 178.682 176.870 -0.050 0.000 1.149 104 L CA 0.590 55.375 54.840 -0.091 0.000 0.955 104 L CB 0.131 42.113 42.059 -0.128 0.000 1.289 104 L HN 0.638 nan 8.230 nan 0.000 0.542 105 E N 0.981 121.160 120.200 -0.036 0.000 2.058 105 E HA -0.227 4.121 4.350 -0.004 0.000 0.194 105 E C 1.634 178.224 176.600 -0.015 0.000 0.997 105 E CA 1.487 57.876 56.400 -0.018 0.000 0.801 105 E CB 0.274 29.965 29.700 -0.015 0.000 0.746 105 E HN 0.421 nan 8.360 nan 0.000 0.450 106 N N -0.002 118.685 118.700 -0.022 0.000 2.216 106 N HA -0.101 4.636 4.740 -0.004 0.000 0.183 106 N C 1.581 177.080 175.510 -0.019 0.000 1.017 106 N CA 1.130 54.167 53.050 -0.022 0.000 0.861 106 N CB -0.326 38.146 38.487 -0.025 0.000 0.986 106 N HN 0.192 nan 8.380 nan 0.000 0.428 107 A N 0.604 123.410 122.820 -0.024 0.000 1.877 107 A HA -0.153 4.164 4.320 -0.004 0.000 0.216 107 A C 2.659 180.240 177.584 -0.005 0.000 1.186 107 A CA 1.369 53.395 52.037 -0.019 0.000 0.620 107 A CB -1.044 17.934 19.000 -0.036 0.000 0.822 107 A HN 0.429 nan 8.150 nan 0.000 0.443 108 C N -0.803 118.495 119.300 -0.003 0.000 2.440 108 C HA -0.070 4.388 4.460 -0.004 0.000 0.278 108 C C 2.479 177.479 174.990 0.015 0.000 1.295 108 C CA 1.045 60.074 59.018 0.019 0.000 1.738 108 C CB -1.107 26.656 27.740 0.038 0.000 1.987 108 C HN 0.670 nan 8.230 nan 0.000 0.492 109 D N 0.667 121.073 120.400 0.011 0.000 2.097 109 D HA -0.147 4.491 4.640 -0.004 0.000 0.195 109 D C 2.127 178.448 176.300 0.034 0.000 0.989 109 D CA 1.556 55.565 54.000 0.015 0.000 0.827 109 D CB -0.235 40.561 40.800 -0.007 0.000 0.966 109 D HN 0.498 nan 8.370 nan 0.000 0.456 110 E N 0.356 120.570 120.200 0.023 0.000 2.047 110 E HA -0.056 4.292 4.350 -0.004 0.000 0.191 110 E C 1.907 178.552 176.600 0.074 0.000 0.987 110 E CA 1.600 58.036 56.400 0.059 0.000 0.799 110 E CB -0.521 29.194 29.700 0.025 0.000 0.752 110 E HN 0.199 nan 8.360 nan 0.000 0.449 111 A N -0.075 122.755 122.820 0.017 0.000 1.908 111 A HA -0.234 4.084 4.320 -0.004 0.000 0.218 111 A C 2.498 180.016 177.584 -0.111 0.000 1.181 111 A CA 2.909 54.929 52.037 -0.029 0.000 0.627 111 A CB -1.478 17.511 19.000 -0.018 0.000 0.818 111 A HN 0.530 nan 8.150 nan 0.000 0.445 112 T N -3.926 110.560 114.554 -0.113 0.000 2.857 112 T HA -0.182 4.165 4.350 -0.004 0.000 0.266 112 T C 1.848 176.468 174.700 -0.134 0.000 1.048 112 T CA 1.439 63.410 62.100 -0.215 0.000 1.139 112 T CB -0.576 68.208 68.868 -0.140 0.000 0.874 112 T HN 0.449 nan 8.240 nan 0.000 0.455 113 Y N 2.238 122.462 120.300 -0.127 0.000 2.128 113 Y HA -0.122 4.426 4.550 -0.003 0.000 0.284 113 Y C 2.610 178.448 175.900 -0.102 0.000 1.154 113 Y CA 1.628 59.671 58.100 -0.096 0.000 1.149 113 Y CB -0.590 37.833 38.460 -0.063 0.000 0.976 113 Y HN 0.252 nan 8.280 nan 0.000 0.505 114 Q N -0.961 118.745 119.800 -0.156 0.000 2.291 114 Q HA -0.125 4.213 4.340 -0.004 0.000 0.205 114 Q C 1.500 177.354 176.000 -0.244 0.000 0.970 114 Q CA 0.955 56.629 55.803 -0.215 0.000 0.876 114 Q CB -0.086 28.610 28.738 -0.069 0.000 0.935 114 Q HN 0.354 nan 8.270 nan 0.000 0.455 115 L N -0.933 120.132 121.223 -0.264 0.000 2.591 115 L HA 0.147 4.485 4.340 -0.004 0.000 0.228 115 L C 1.076 177.769 176.870 -0.295 0.000 1.133 115 L CA 1.130 55.798 54.840 -0.285 0.000 0.880 115 L CB -0.250 41.550 42.059 -0.431 0.000 1.033 115 L HN 0.295 nan 8.230 nan 0.000 0.450 116 G N -0.193 108.416 108.800 -0.318 0.000 2.160 116 G HA2 -0.249 3.709 3.960 -0.004 0.000 0.244 116 G HA3 -0.249 3.709 3.960 -0.004 0.000 0.244 116 G C 0.045 174.803 174.900 -0.237 0.000 1.022 116 G CA 0.282 45.210 45.100 -0.286 0.000 0.741 116 G HN 0.278 nan 8.290 nan 0.000 0.508 117 L N -0.277 120.804 121.223 -0.236 0.000 2.354 117 L HA 0.588 4.925 4.340 -0.004 0.000 0.269 117 L C -0.610 176.227 176.870 -0.055 0.000 1.005 117 L CA -1.181 53.553 54.840 -0.176 0.000 0.819 117 L CB 1.935 43.824 42.059 -0.284 0.000 1.311 117 L HN 0.082 nan 8.230 nan 0.000 0.423 118 D N 2.303 122.703 120.400 -0.001 0.000 2.396 118 D HA 0.163 4.801 4.640 -0.004 0.000 0.225 118 D C 0.672 177.005 176.300 0.055 0.000 1.121 118 D CA -0.232 53.797 54.000 0.048 0.000 0.853 118 D CB 1.469 42.301 40.800 0.054 0.000 1.043 118 D HN 0.518 nan 8.370 nan 0.000 0.500 119 M N 3.123 122.757 119.600 0.057 0.000 2.202 119 M HA -0.151 4.326 4.480 -0.004 0.000 0.262 119 M C 1.270 177.617 176.300 0.080 0.000 1.063 119 M CA 1.559 56.903 55.300 0.072 0.000 1.097 119 M CB 0.199 32.835 32.600 0.060 0.000 1.382 119 M HN 0.402 nan 8.290 nan 0.000 0.413 120 E N -0.074 120.163 120.200 0.063 0.000 2.204 120 E HA -0.239 4.108 4.350 -0.004 0.000 0.194 120 E C 1.736 178.374 176.600 0.064 0.000 0.989 120 E CA 1.483 57.917 56.400 0.057 0.000 0.824 120 E CB -0.056 29.673 29.700 0.048 0.000 0.756 120 E HN 0.748 nan 8.360 nan 0.000 0.477 121 E N 0.316 120.557 120.200 0.070 0.000 2.299 121 E HA -0.133 4.214 4.350 -0.004 0.000 0.193 121 E C 1.776 178.424 176.600 0.080 0.000 0.998 121 E CA 0.359 56.801 56.400 0.069 0.000 0.851 121 E CB 0.076 29.816 29.700 0.068 0.000 0.795 121 E HN 0.076 nan 8.360 nan 0.000 0.492 122 L N 1.677 122.969 121.223 0.115 0.000 2.131 122 L HA -0.033 4.304 4.340 -0.004 0.000 0.206 122 L C 2.087 179.033 176.870 0.127 0.000 1.087 122 L CA 1.652 56.597 54.840 0.175 0.000 0.767 122 L CB -0.430 41.782 42.059 0.254 0.000 0.917 122 L HN 0.151 nan 8.230 nan 0.000 0.441 123 E N -0.587 119.676 120.200 0.105 0.000 2.153 123 E HA -0.200 4.148 4.350 -0.004 0.000 0.194 123 E C 1.681 178.252 176.600 -0.047 0.000 0.988 123 E CA 0.824 57.258 56.400 0.057 0.000 0.811 123 E CB -0.040 29.695 29.700 0.057 0.000 0.746 123 E HN 0.411 nan 8.360 nan 0.000 0.466 124 E N 0.351 120.538 120.200 -0.023 0.000 2.472 124 E HA -0.089 4.258 4.350 -0.004 0.000 0.200 124 E C 1.831 178.373 176.600 -0.097 0.000 1.046 124 E CA 0.485 56.868 56.400 -0.028 0.000 0.871 124 E CB 0.076 29.794 29.700 0.030 0.000 0.806 124 E HN 0.431 nan 8.360 nan 0.000 0.533 125 I N 0.645 121.093 120.570 -0.204 0.000 2.584 125 I HA -0.087 4.081 4.170 -0.004 0.000 0.255 125 I C 1.361 177.174 176.117 -0.507 0.000 1.145 125 I CA 0.137 61.250 61.300 -0.312 0.000 1.462 125 I CB 0.087 37.904 38.000 -0.305 0.000 1.102 125 I HN -0.009 nan 8.210 nan 0.000 0.433 126 E N 2.447 122.205 120.200 -0.736 0.000 2.414 126 E HA -0.090 4.258 4.350 -0.004 0.000 0.263 126 E C -0.059 176.448 176.600 -0.156 0.000 1.000 126 E CA -0.091 55.945 56.400 -0.607 0.000 0.914 126 E CB 0.628 30.098 29.700 -0.383 0.000 0.948 126 E HN 0.061 nan 8.360 nan 0.000 0.444 127 E N 2.866 123.070 120.200 0.007 0.000 2.331 127 E HA 0.093 4.441 4.350 -0.004 0.000 0.272 127 E C -1.188 175.521 176.600 0.182 0.000 1.036 127 E CA -0.316 56.172 56.400 0.147 0.000 0.864 127 E CB 0.828 30.698 29.700 0.284 0.000 1.035 127 E HN 0.360 nan 8.360 nan 0.000 0.408 128 D N 1.415 121.902 120.400 0.144 0.000 2.382 128 D HA 0.289 4.926 4.640 -0.004 0.000 0.245 128 D C -0.830 175.522 176.300 0.087 0.000 1.120 128 D CA 0.163 54.226 54.000 0.105 0.000 0.890 128 D CB 1.005 41.860 40.800 0.091 0.000 1.201 128 D HN 0.416 nan 8.370 nan 0.000 0.433 129 A N 2.122 124.946 122.820 0.006 0.000 2.798 129 A HA 0.491 4.808 4.320 -0.004 0.000 0.316 129 A C 0.885 178.309 177.584 -0.267 0.000 1.506 129 A CA -0.509 51.332 52.037 -0.326 0.000 1.162 129 A CB -0.234 18.655 19.000 -0.185 0.000 1.138 129 A HN 0.500 nan 8.150 nan 0.000 0.532 130 G N 1.866 110.443 108.800 -0.371 0.000 3.717 130 G HA2 0.419 4.376 3.960 -0.004 0.000 0.258 130 G HA3 0.419 4.376 3.960 -0.004 0.000 0.258 130 G C 0.292 174.852 174.900 -0.567 0.000 1.088 130 G CA -0.285 44.574 45.100 -0.400 0.000 1.737 130 G HN 0.684 nan 8.290 nan 0.000 0.648 131 L N 1.424 122.405 121.223 -0.404 0.000 2.862 131 L HA 0.375 4.712 4.340 -0.004 0.000 0.240 131 L C 1.065 177.856 176.870 -0.131 0.000 1.283 131 L CA -0.229 54.519 54.840 -0.153 0.000 1.117 131 L CB -0.311 41.796 42.059 0.080 0.000 1.444 131 L HN 0.345 nan 8.230 nan 0.000 0.456 132 G N -1.311 107.191 108.800 -0.498 0.000 2.660 132 G HA2 0.211 4.168 3.960 -0.004 0.000 0.290 132 G HA3 0.211 4.168 3.960 -0.004 0.000 0.290 132 G C -0.146 174.453 174.900 -0.502 0.000 1.432 132 G CA -0.448 44.427 45.100 -0.376 0.000 0.807 132 G HN -0.078 nan 8.290 nan 0.000 0.485 133 N N -0.816 117.793 118.700 -0.152 0.000 2.439 133 N HA 0.207 4.944 4.740 -0.004 0.000 0.176 133 N C 1.129 176.705 175.510 0.111 0.000 1.029 133 N CA 1.245 54.267 53.050 -0.047 0.000 0.886 133 N CB 1.301 39.820 38.487 0.054 0.000 1.057 133 N HN 0.814 nan 8.380 nan 0.000 0.437 134 G N -0.633 108.286 108.800 0.199 0.000 2.825 134 G HA2 0.174 4.132 3.960 -0.004 0.000 0.100 134 G HA3 0.174 4.132 3.960 -0.004 0.000 0.100 134 G C 0.723 175.721 174.900 0.164 0.000 1.195 134 G CA 0.217 45.458 45.100 0.234 0.000 1.317 134 G HN 0.136 nan 8.290 nan 0.000 0.632 135 G N 0.241 109.092 108.800 0.086 0.000 2.469 135 G HA2 -0.047 3.911 3.960 -0.004 0.000 0.219 135 G HA3 -0.047 3.911 3.960 -0.004 0.000 0.219 135 G C 1.841 176.726 174.900 -0.025 0.000 1.150 135 G CA 1.875 46.987 45.100 0.019 0.000 0.763 135 G HN 0.711 nan 8.290 nan 0.000 0.561 136 L N 1.515 122.713 121.223 -0.042 0.000 2.017 136 L HA 0.148 4.485 4.340 -0.004 0.000 0.208 136 L C 2.839 179.645 176.870 -0.107 0.000 1.073 136 L CA 2.484 57.226 54.840 -0.163 0.000 0.745 136 L CB -1.096 40.852 42.059 -0.184 0.000 0.894 136 L HN 0.170 nan 8.230 nan 0.000 0.432 137 G N -1.259 107.542 108.800 0.001 0.000 2.408 137 G HA2 -0.310 3.648 3.960 -0.004 0.000 0.217 137 G HA3 -0.310 3.648 3.960 -0.004 0.000 0.217 137 G C 1.746 176.705 174.900 0.098 0.000 1.150 137 G CA 0.769 45.894 45.100 0.042 0.000 0.776 137 G HN 0.340 nan 8.290 nan 0.000 0.542 138 R N 0.023 120.595 120.500 0.121 0.000 2.115 138 R HA 0.128 4.466 4.340 -0.004 0.000 0.226 138 R C 2.286 178.576 176.300 -0.016 0.000 1.100 138 R CA 0.777 56.924 56.100 0.079 0.000 0.980 138 R CB -0.829 29.479 30.300 0.014 0.000 0.875 138 R HN 0.338 nan 8.270 nan 0.000 0.445 139 L N 0.118 121.262 121.223 -0.131 0.000 2.046 139 L HA 0.029 4.366 4.340 -0.004 0.000 0.208 139 L C 2.058 178.624 176.870 -0.508 0.000 1.077 139 L CA 2.146 56.769 54.840 -0.363 0.000 0.747 139 L CB -0.822 40.984 42.059 -0.421 0.000 0.896 139 L HN 0.236 nan 8.230 nan 0.000 0.432 140 A N -0.578 122.073 122.820 -0.281 0.000 1.933 140 A HA -0.119 4.198 4.320 -0.004 0.000 0.218 140 A C 2.433 180.048 177.584 0.052 0.000 1.175 140 A CA 1.761 53.693 52.037 -0.176 0.000 0.628 140 A CB -1.085 17.783 19.000 -0.219 0.000 0.814 140 A HN 0.574 nan 8.150 nan 0.000 0.444 141 A N -1.076 121.812 122.820 0.114 0.000 1.898 141 A HA -0.138 4.179 4.320 -0.004 0.000 0.216 141 A C 2.297 179.951 177.584 0.117 0.000 1.181 141 A CA 1.599 53.739 52.037 0.172 0.000 0.620 141 A CB -1.224 17.869 19.000 0.155 0.000 0.819 141 A HN 0.589 nan 8.150 nan 0.000 0.442 142 C N -1.403 117.960 119.300 0.104 0.000 2.425 142 C HA -0.046 4.411 4.460 -0.004 0.000 0.277 142 C C 2.421 177.569 174.990 0.263 0.000 1.280 142 C CA 0.520 59.640 59.018 0.171 0.000 1.744 142 C CB -1.600 26.258 27.740 0.197 0.000 1.989 142 C HN 0.601 nan 8.230 nan 0.000 0.491 143 F N 0.547 120.478 119.950 -0.030 0.000 2.134 143 F HA -0.072 4.452 4.527 -0.004 0.000 0.299 143 F C 2.123 177.868 175.800 -0.092 0.000 1.097 143 F CA 1.027 58.960 58.000 -0.110 0.000 1.264 143 F CB -1.412 37.390 39.000 -0.331 0.000 1.001 143 F HN 0.098 nan 8.300 nan 0.000 0.479 144 L N 0.343 121.645 121.223 0.132 0.000 2.042 144 L HA -0.238 4.099 4.340 -0.004 0.000 0.210 144 L C 2.146 179.033 176.870 0.029 0.000 1.076 144 L CA 1.944 56.819 54.840 0.058 0.000 0.749 144 L CB -1.275 40.823 42.059 0.065 0.000 0.893 144 L HN 0.111 nan 8.230 nan 0.000 0.432 145 D N -1.593 118.833 120.400 0.044 0.000 2.097 145 D HA -0.170 4.468 4.640 -0.004 0.000 0.195 145 D C 2.174 178.494 176.300 0.033 0.000 0.989 145 D CA 1.494 55.505 54.000 0.019 0.000 0.827 145 D CB 0.159 40.970 40.800 0.018 0.000 0.966 145 D HN 0.192 nan 8.370 nan 0.000 0.456 146 S N -0.705 115.032 115.700 0.062 0.000 2.383 146 S HA -0.109 4.359 4.470 -0.004 0.000 0.227 146 S C 1.995 176.612 174.600 0.028 0.000 1.026 146 S CA 0.875 59.103 58.200 0.047 0.000 0.981 146 S CB -0.229 63.004 63.200 0.055 0.000 0.818 146 S HN 0.346 nan 8.310 nan 0.000 0.472 147 M N 0.932 120.543 119.600 0.019 0.000 2.159 147 M HA -0.081 4.396 4.480 -0.004 0.000 0.263 147 M C 2.418 178.725 176.300 0.012 0.000 1.063 147 M CA 1.354 56.663 55.300 0.015 0.000 1.110 147 M CB -0.476 32.117 32.600 -0.012 0.000 1.374 147 M HN 0.396 nan 8.290 nan 0.000 0.411 148 A N -0.349 122.474 122.820 0.006 0.000 1.897 148 A HA -0.096 4.221 4.320 -0.004 0.000 0.215 148 A C 2.158 179.761 177.584 0.031 0.000 1.181 148 A CA 1.834 53.877 52.037 0.010 0.000 0.620 148 A CB -0.966 18.022 19.000 -0.019 0.000 0.821 148 A HN 0.396 nan 8.150 nan 0.000 0.443 149 T N 0.323 114.899 114.554 0.038 0.000 2.915 149 T HA 0.020 4.367 4.350 -0.004 0.000 0.269 149 T C 1.286 176.019 174.700 0.055 0.000 1.071 149 T CA 1.023 63.159 62.100 0.060 0.000 1.132 149 T CB -0.261 68.650 68.868 0.071 0.000 0.878 149 T HN 0.338 nan 8.240 nan 0.000 0.479 150 L N 0.462 121.714 121.223 0.048 0.000 2.653 150 L HA 0.309 4.646 4.340 -0.004 0.000 0.231 150 L C 1.631 178.536 176.870 0.058 0.000 1.153 150 L CA -0.108 54.762 54.840 0.050 0.000 0.933 150 L CB -0.400 41.688 42.059 0.048 0.000 1.175 150 L HN 0.374 nan 8.230 nan 0.000 0.473 151 G N 1.155 109.993 108.800 0.064 0.000 2.249 151 G HA2 -0.288 3.669 3.960 -0.004 0.000 0.273 151 G HA3 -0.288 3.669 3.960 -0.004 0.000 0.273 151 G C 0.141 175.094 174.900 0.087 0.000 1.036 151 G CA 0.094 45.251 45.100 0.095 0.000 0.824 151 G HN 0.295 nan 8.290 nan 0.000 0.504 152 L N -0.238 121.005 121.223 0.034 0.000 2.350 152 L HA 0.603 4.940 4.340 -0.004 0.000 0.275 152 L C 1.199 177.956 176.870 -0.190 0.000 1.099 152 L CA -0.348 54.463 54.840 -0.048 0.000 0.808 152 L CB 1.554 43.600 42.059 -0.023 0.000 1.149 152 L HN 0.244 nan 8.230 nan 0.000 0.442 153 A N 2.949 125.514 122.820 -0.426 0.000 2.990 153 A HA 0.563 4.881 4.320 -0.004 0.000 0.282 153 A C 0.314 177.554 177.584 -0.574 0.000 1.688 153 A CA -0.187 51.312 52.037 -0.895 0.000 1.391 153 A CB -0.639 17.697 19.000 -1.107 0.000 1.112 153 A HN 0.707 nan 8.150 nan 0.000 0.588 154 A N 1.431 123.967 122.820 -0.473 0.000 2.325 154 A HA 0.801 5.119 4.320 -0.004 0.000 0.333 154 A C -1.003 176.317 177.584 -0.440 0.000 1.155 154 A CA -0.454 51.364 52.037 -0.364 0.000 0.814 154 A CB 0.733 19.595 19.000 -0.229 0.000 1.206 154 A HN 0.627 nan 8.150 nan 0.000 0.482 155 Y N 0.201 120.441 120.300 -0.100 0.000 2.373 155 Y HA 0.535 5.082 4.550 -0.004 0.000 0.336 155 Y C 0.807 176.775 175.900 0.114 0.000 0.979 155 Y CA -0.526 57.574 58.100 0.001 0.000 1.080 155 Y CB 2.416 40.949 38.460 0.121 0.000 1.190 155 Y HN 0.841 nan 8.280 nan 0.000 0.446 156 G N 2.123 110.990 108.800 0.113 0.000 2.338 156 G HA2 0.464 4.421 3.960 -0.004 0.000 0.298 156 G HA3 0.464 4.421 3.960 -0.004 0.000 0.298 156 G C -1.795 173.113 174.900 0.013 0.000 1.140 156 G CA -0.283 44.928 45.100 0.185 0.000 0.860 156 G HN 0.514 nan 8.290 nan 0.000 0.470 157 Y N 1.014 121.551 120.300 0.394 0.000 2.350 157 Y HA 0.625 5.173 4.550 -0.004 0.000 0.338 157 Y C 0.747 176.956 175.900 0.514 0.000 0.961 157 Y CA 0.169 58.467 58.100 0.330 0.000 1.100 157 Y CB 2.609 41.287 38.460 0.363 0.000 1.179 157 Y HN 0.871 nan 8.280 nan 0.000 0.454 158 G N 2.388 111.515 108.800 0.544 0.000 2.846 158 G HA2 0.614 4.571 3.960 -0.004 0.000 0.299 158 G HA3 0.614 4.571 3.960 -0.004 0.000 0.299 158 G C -1.686 173.456 174.900 0.403 0.000 1.242 158 G CA -0.810 44.638 45.100 0.580 0.000 0.800 158 G HN 0.418 nan 8.290 nan 0.000 0.538 159 I N 0.446 121.150 120.570 0.223 0.000 2.474 159 I HA 0.446 4.613 4.170 -0.004 0.000 0.294 159 I C 0.170 176.193 176.117 -0.157 0.000 1.005 159 I CA -0.747 60.574 61.300 0.035 0.000 1.113 159 I CB 2.318 40.166 38.000 -0.253 0.000 1.289 159 I HN 0.367 nan 8.210 nan 0.000 0.436 160 R N 5.898 126.404 120.500 0.010 0.000 2.593 160 R HA 0.258 4.595 4.340 -0.004 0.000 0.282 160 R C -1.324 175.027 176.300 0.085 0.000 1.300 160 R CA -0.449 55.688 56.100 0.063 0.000 1.221 160 R CB -0.004 30.312 30.300 0.028 0.000 1.157 160 R HN 0.395 nan 8.270 nan 0.000 0.555 161 Y N 1.949 122.407 120.300 0.262 0.000 2.425 161 Y HA -0.047 4.501 4.550 -0.004 0.000 0.331 161 Y C 1.560 177.631 175.900 0.285 0.000 1.157 161 Y CA -0.079 58.165 58.100 0.239 0.000 1.372 161 Y CB 0.924 39.504 38.460 0.201 0.000 1.253 161 Y HN 0.584 nan 8.280 nan 0.000 0.536 162 E N 1.474 121.841 120.200 0.278 0.000 2.358 162 E HA -0.015 4.332 4.350 -0.004 0.000 0.195 162 E C -0.752 175.713 176.600 -0.225 0.000 1.010 162 E CA 0.619 57.003 56.400 -0.027 0.000 0.856 162 E CB 0.060 29.596 29.700 -0.274 0.000 0.795 162 E HN 0.434 nan 8.360 nan 0.000 0.504 163 F N 1.066 121.244 119.950 0.380 0.000 2.499 163 F HA 0.490 5.015 4.527 -0.004 0.000 0.333 163 F C 0.861 176.753 175.800 0.154 0.000 1.138 163 F CA -0.950 57.221 58.000 0.285 0.000 0.945 163 F CB 2.106 41.205 39.000 0.164 0.000 1.181 163 F HN -0.055 nan 8.300 nan 0.000 0.435 164 G N 1.951 110.857 108.800 0.176 0.000 2.582 164 G HA2 0.335 4.293 3.960 -0.004 0.000 0.232 164 G HA3 0.335 4.293 3.960 -0.004 0.000 0.232 164 G C -0.559 174.297 174.900 -0.074 0.000 1.458 164 G CA -0.666 44.381 45.100 -0.090 0.000 1.062 164 G HN 0.514 nan 8.290 nan 0.000 0.566 165 I N 1.089 121.531 120.570 -0.213 0.000 2.683 165 I HA 0.227 4.394 4.170 -0.004 0.000 0.286 165 I C 0.507 176.527 176.117 -0.161 0.000 1.175 165 I CA -1.246 59.911 61.300 -0.238 0.000 1.429 165 I CB -0.363 37.399 38.000 -0.396 0.000 1.371 165 I HN 0.326 nan 8.210 nan 0.000 0.569 166 F N 6.504 126.468 119.950 0.024 0.000 2.595 166 F HA 0.236 4.761 4.527 -0.004 0.000 0.359 166 F C 0.442 176.295 175.800 0.089 0.000 1.147 166 F CA -0.484 57.553 58.000 0.062 0.000 1.341 166 F CB -0.293 38.732 39.000 0.042 0.000 1.104 166 F HN 0.434 nan 8.300 nan 0.000 0.603 167 N N 2.554 121.437 118.700 0.305 0.000 2.458 167 N HA 0.058 4.795 4.740 -0.004 0.000 0.270 167 N C -0.801 174.946 175.510 0.395 0.000 1.102 167 N CA -0.296 52.900 53.050 0.244 0.000 0.967 167 N CB 1.219 39.839 38.487 0.222 0.000 1.078 167 N HN 0.760 nan 8.380 nan 0.000 0.471 168 Q N 2.447 122.450 119.800 0.338 0.000 2.274 168 Q HA 0.172 4.509 4.340 -0.004 0.000 0.256 168 Q C -0.952 175.223 176.000 0.292 0.000 0.927 168 Q CA -0.305 55.739 55.803 0.402 0.000 0.939 168 Q CB 0.694 29.670 28.738 0.398 0.000 1.201 168 Q HN 0.212 nan 8.270 nan 0.000 0.426 169 K N 4.156 124.705 120.400 0.248 0.000 2.316 169 K HA 0.483 4.800 4.320 -0.004 0.000 0.251 169 K C -0.771 175.930 176.600 0.168 0.000 0.934 169 K CA -0.852 55.556 56.287 0.201 0.000 0.802 169 K CB 1.643 34.242 32.500 0.165 0.000 1.171 169 K HN 0.635 nan 8.250 nan 0.000 0.426 170 I N 2.661 123.319 120.570 0.147 0.000 2.328 170 I HA 0.218 4.385 4.170 -0.004 0.000 0.287 170 I C -0.370 175.804 176.117 0.096 0.000 1.012 170 I CA -0.617 60.740 61.300 0.094 0.000 1.195 170 I CB 0.695 38.728 38.000 0.056 0.000 1.350 170 I HN 0.390 nan 8.210 nan 0.000 0.464 171 C N 3.981 123.349 119.300 0.113 0.000 2.322 171 C HA 0.599 5.056 4.460 -0.004 0.000 0.324 171 C C 1.199 176.291 174.990 0.170 0.000 1.249 171 C CA -0.499 58.590 59.018 0.120 0.000 1.453 171 C CB 0.498 28.302 27.740 0.106 0.000 2.145 171 C HN 1.083 nan 8.230 nan 0.000 0.466 172 G N 2.367 111.242 108.800 0.125 0.000 2.225 172 G HA2 0.118 4.076 3.960 -0.004 0.000 0.267 172 G HA3 0.118 4.076 3.960 -0.004 0.000 0.267 172 G C 1.098 176.032 174.900 0.058 0.000 1.024 172 G CA 0.967 46.152 45.100 0.143 0.000 0.784 172 G HN 2.385 nan 8.290 nan 0.000 0.507 173 G N -2.888 105.890 108.800 -0.036 0.000 2.205 173 G HA2 -0.297 3.660 3.960 -0.004 0.000 0.261 173 G HA3 -0.297 3.660 3.960 -0.004 0.000 0.261 173 G C 0.418 175.118 174.900 -0.333 0.000 0.980 173 G CA 0.711 45.676 45.100 -0.226 0.000 0.632 173 G HN 1.195 nan 8.290 nan 0.000 0.533 174 W N 0.769 122.012 121.300 -0.094 0.000 2.448 174 W HA 0.672 5.329 4.660 -0.004 0.000 0.339 174 W C 0.656 177.117 176.519 -0.096 0.000 1.124 174 W CA -0.805 56.478 57.345 -0.103 0.000 1.262 174 W CB 0.749 30.167 29.460 -0.070 0.000 1.251 174 W HN 0.231 nan 8.180 nan 0.000 0.597 175 Q N 2.680 122.583 119.800 0.173 0.000 2.286 175 Q HA 0.296 4.633 4.340 -0.004 0.000 0.257 175 Q C -0.685 175.372 176.000 0.095 0.000 0.941 175 Q CA -0.024 55.843 55.803 0.107 0.000 0.912 175 Q CB 0.597 29.390 28.738 0.092 0.000 1.192 175 Q HN 0.303 nan 8.270 nan 0.000 0.410 176 M N 3.086 122.738 119.600 0.088 0.000 2.393 176 M HA 0.395 4.873 4.480 -0.004 0.000 0.316 176 M C -1.131 175.184 176.300 0.026 0.000 1.087 176 M CA -0.653 54.668 55.300 0.034 0.000 0.937 176 M CB 1.843 34.477 32.600 0.056 0.000 1.668 176 M HN 0.626 nan 8.290 nan 0.000 0.438 177 E N 1.705 121.851 120.200 -0.091 0.000 2.202 177 E HA 0.551 4.898 4.350 -0.004 0.000 0.272 177 E C -0.749 175.847 176.600 -0.007 0.000 0.951 177 E CA -0.628 55.688 56.400 -0.141 0.000 0.813 177 E CB 1.848 31.196 29.700 -0.587 0.000 1.151 177 E HN 0.527 nan 8.360 nan 0.000 0.398 178 E N 0.661 120.936 120.200 0.125 0.000 2.343 178 E HA 0.663 5.010 4.350 -0.004 0.000 0.278 178 E C -1.208 175.490 176.600 0.163 0.000 0.910 178 E CA -1.414 55.049 56.400 0.106 0.000 0.757 178 E CB 1.358 31.126 29.700 0.115 0.000 1.218 178 E HN 0.489 nan 8.360 nan 0.000 0.435 179 A N 2.397 125.270 122.820 0.088 0.000 2.567 179 A HA 0.028 4.346 4.320 -0.004 0.000 0.240 179 A C 0.016 177.777 177.584 0.295 0.000 1.053 179 A CA 0.506 52.611 52.037 0.114 0.000 0.755 179 A CB -0.037 18.892 19.000 -0.118 0.000 0.978 179 A HN 0.668 nan 8.150 nan 0.000 0.507 180 D N 1.782 122.429 120.400 0.413 0.000 2.522 180 D HA 0.191 4.829 4.640 -0.004 0.000 0.218 180 D C -0.368 176.259 176.300 0.545 0.000 1.149 180 D CA -0.224 54.016 54.000 0.401 0.000 0.981 180 D CB 0.304 41.272 40.800 0.280 0.000 1.041 180 D HN 0.396 nan 8.370 nan 0.000 0.518 181 D N 3.589 124.273 120.400 0.474 0.000 2.801 181 D HA -0.036 4.601 4.640 -0.004 0.000 0.232 181 D C 1.262 177.694 176.300 0.220 0.000 1.128 181 D CA -0.521 53.669 54.000 0.317 0.000 1.003 181 D CB -0.240 40.752 40.800 0.318 0.000 1.110 181 D HN 0.538 nan 8.370 nan 0.000 0.477 182 W N 1.441 122.776 121.300 0.057 0.000 2.538 182 W HA -0.079 4.579 4.660 -0.004 0.000 0.254 182 W C 0.020 176.589 176.519 0.084 0.000 1.249 182 W CA 0.195 57.593 57.345 0.088 0.000 1.253 182 W CB -0.759 28.754 29.460 0.088 0.000 1.130 182 W HN 0.202 nan 8.180 nan 0.000 0.618 183 L N 0.760 121.634 121.223 -0.581 0.000 2.607 183 L HA 0.187 4.524 4.340 -0.004 0.000 0.228 183 L C 2.736 179.442 176.870 -0.273 0.000 1.123 183 L CA -0.081 54.387 54.840 -0.620 0.000 0.890 183 L CB -0.616 40.952 42.059 -0.817 0.000 1.103 183 L HN -0.120 nan 8.230 nan 0.000 0.468 184 R N 0.821 121.217 120.500 -0.172 0.000 2.133 184 R HA -0.251 4.087 4.340 -0.004 0.000 0.245 184 R C 1.350 177.467 176.300 -0.305 0.000 1.137 184 R CA 2.246 58.208 56.100 -0.230 0.000 0.947 184 R CB -0.274 29.883 30.300 -0.239 0.000 0.865 184 R HN 0.295 nan 8.270 nan 0.000 0.437 185 Y N -0.246 120.069 120.300 0.026 0.000 2.461 185 Y HA 0.307 4.854 4.550 -0.004 0.000 0.277 185 Y C 0.822 176.717 175.900 -0.009 0.000 1.182 185 Y CA 0.485 58.605 58.100 0.034 0.000 1.276 185 Y CB 0.705 39.288 38.460 0.205 0.000 1.087 185 Y HN 0.493 nan 8.280 nan 0.000 0.519 186 G N 1.340 110.177 108.800 0.063 0.000 2.699 186 G HA2 -0.230 3.727 3.960 -0.004 0.000 0.686 186 G HA3 -0.230 3.727 3.960 -0.004 0.000 0.686 186 G C -1.190 173.789 174.900 0.131 0.000 1.301 186 G CA -0.768 44.344 45.100 0.021 0.000 0.816 186 G HN 0.288 nan 8.290 nan 0.000 0.595 187 N N 1.186 119.908 118.700 0.036 0.000 2.531 187 N HA 0.575 5.313 4.740 -0.004 0.000 0.268 187 N C -0.575 174.931 175.510 -0.007 0.000 1.023 187 N CA -1.845 51.240 53.050 0.057 0.000 0.896 187 N CB 2.081 40.542 38.487 -0.043 0.000 1.233 187 N HN 0.269 nan 8.380 nan 0.000 0.512 188 P HA 0.008 nan 4.420 nan 0.000 0.229 188 P C 0.578 177.552 177.300 -0.544 0.000 1.160 188 P CA 0.723 63.501 63.100 -0.537 0.000 0.777 188 P CB 0.130 31.223 31.700 -1.012 0.000 0.814 189 W N 2.000 123.303 121.300 0.005 0.000 2.576 189 W HA 0.048 4.705 4.660 -0.004 0.000 0.270 189 W C 1.347 177.905 176.519 0.065 0.000 1.255 189 W CA -0.334 57.014 57.345 0.006 0.000 1.314 189 W CB -0.289 29.178 29.460 0.012 0.000 1.101 189 W HN 0.017 nan 8.180 nan 0.000 0.595 190 E N 1.758 122.132 120.200 0.290 0.000 2.318 190 E HA 0.328 4.676 4.350 -0.004 0.000 0.265 190 E C -0.606 176.158 176.600 0.272 0.000 1.069 190 E CA -0.731 55.849 56.400 0.300 0.000 0.893 190 E CB 1.322 31.214 29.700 0.320 0.000 1.076 190 E HN -0.326 nan 8.360 nan 0.000 0.414 191 K N 1.475 122.046 120.400 0.286 0.000 2.579 191 K HA 0.420 4.738 4.320 -0.004 0.000 0.250 191 K C -1.290 175.319 176.600 0.015 0.000 0.952 191 K CA -0.491 55.893 56.287 0.163 0.000 0.857 191 K CB 1.584 34.186 32.500 0.171 0.000 1.123 191 K HN 0.664 nan 8.250 nan 0.000 0.433 192 A N 4.218 126.954 122.820 -0.140 0.000 2.477 192 A HA 0.402 4.719 4.320 -0.004 0.000 0.246 192 A C -0.283 177.082 177.584 -0.364 0.000 1.078 192 A CA -0.196 51.503 52.037 -0.563 0.000 0.770 192 A CB 0.223 18.869 19.000 -0.590 0.000 1.011 192 A HN 0.651 nan 8.150 nan 0.000 0.494 193 R N 3.296 123.567 120.500 -0.382 0.000 2.835 193 R HA 0.203 4.541 4.340 -0.004 0.000 0.290 193 R C -2.303 173.818 176.300 -0.299 0.000 1.410 193 R CA -1.808 54.104 56.100 -0.313 0.000 1.590 193 R CB 0.611 30.832 30.300 -0.131 0.000 1.288 193 R HN 0.593 nan 8.270 nan 0.000 0.637 194 P HA -0.206 nan 4.420 nan 0.000 0.218 194 P C 0.840 178.049 177.300 -0.151 0.000 1.146 194 P CA 1.215 64.220 63.100 -0.158 0.000 0.813 194 P CB 0.383 32.003 31.700 -0.132 0.000 0.778 195 E N 0.089 120.093 120.200 -0.326 0.000 2.338 195 E HA -0.138 4.210 4.350 -0.004 0.000 0.197 195 E C 1.126 177.626 176.600 -0.166 0.000 1.007 195 E CA 0.769 56.970 56.400 -0.332 0.000 0.849 195 E CB -1.067 28.307 29.700 -0.544 0.000 0.774 195 E HN 0.409 nan 8.360 nan 0.000 0.506 196 F N 1.851 121.820 119.950 0.032 0.000 2.684 196 F HA 0.209 4.734 4.527 -0.004 0.000 0.298 196 F C 0.502 176.400 175.800 0.164 0.000 1.120 196 F CA -0.715 57.335 58.000 0.083 0.000 1.332 196 F CB 0.546 39.590 39.000 0.073 0.000 0.986 196 F HN -0.272 nan 8.300 nan 0.000 0.524 197 T N 2.888 117.599 114.554 0.262 0.000 2.928 197 T HA 0.208 4.555 4.350 -0.004 0.000 0.305 197 T C -0.246 174.564 174.700 0.184 0.000 1.035 197 T CA 0.321 62.566 62.100 0.242 0.000 1.145 197 T CB 0.834 69.793 68.868 0.153 0.000 0.963 197 T HN -0.112 nan 8.240 nan 0.000 0.545 198 L N 5.740 127.038 121.223 0.124 0.000 2.370 198 L HA 0.560 4.898 4.340 -0.004 0.000 0.266 198 L C -2.195 174.628 176.870 -0.079 0.000 1.002 198 L CA -2.499 52.334 54.840 -0.011 0.000 0.818 198 L CB 2.010 43.989 42.059 -0.133 0.000 1.325 198 L HN 0.389 nan 8.230 nan 0.000 0.418 199 P HA 0.371 nan 4.420 nan 0.000 0.288 199 P C -1.246 175.901 177.300 -0.255 0.000 1.267 199 P CA -0.393 62.617 63.100 -0.151 0.000 0.815 199 P CB 1.942 33.552 31.700 -0.150 0.000 0.989 200 V N 3.842 123.592 119.914 -0.273 0.000 2.540 200 V HA 0.319 4.436 4.120 -0.004 0.000 0.302 200 V C 0.191 176.035 176.094 -0.417 0.000 1.035 200 V CA -0.624 61.494 62.300 -0.302 0.000 0.873 200 V CB 1.474 33.195 31.823 -0.171 0.000 0.992 200 V HN 0.605 nan 8.190 nan 0.000 0.428 201 H N 3.873 122.771 119.070 -0.287 0.000 2.463 201 H HA 0.632 5.185 4.556 -0.004 0.000 0.332 201 H C -1.245 173.776 175.328 -0.512 0.000 1.127 201 H CA -0.125 55.668 56.048 -0.425 0.000 1.238 201 H CB 1.856 31.115 29.762 -0.839 0.000 1.478 201 H HN 0.481 nan 8.280 nan 0.000 0.499 202 F N 0.173 120.144 119.950 0.035 0.000 2.613 202 F HA 0.210 4.735 4.527 -0.004 0.000 0.314 202 F C -0.211 175.648 175.800 0.098 0.000 1.075 202 F CA -0.575 57.444 58.000 0.031 0.000 0.945 202 F CB 1.019 39.950 39.000 -0.116 0.000 1.310 202 F HN 0.532 nan 8.300 nan 0.000 0.467 203 Y N 0.188 120.752 120.300 0.440 0.000 2.904 203 Y HA -0.009 4.539 4.550 -0.004 0.000 0.466 203 Y C 1.354 177.471 175.900 0.363 0.000 1.202 203 Y CA 0.729 59.008 58.100 0.298 0.000 2.492 203 Y CB -1.899 36.663 38.460 0.170 0.000 1.237 203 Y HN 1.305 nan 8.280 nan 0.000 0.633 204 G N 0.635 109.678 108.800 0.405 0.000 2.593 204 G HA2 0.105 4.062 3.960 -0.004 0.000 0.237 204 G HA3 0.105 4.062 3.960 -0.004 0.000 0.237 204 G C -0.559 174.531 174.900 0.317 0.000 1.312 204 G CA 0.887 46.154 45.100 0.277 0.000 0.896 204 G HN 1.359 nan 8.290 nan 0.000 0.574 205 R N -2.547 118.137 120.500 0.307 0.000 2.752 205 R HA 0.710 5.048 4.340 -0.004 0.000 0.271 205 R C -1.341 175.079 176.300 0.199 0.000 1.026 205 R CA -0.982 55.243 56.100 0.209 0.000 0.901 205 R CB 1.310 31.683 30.300 0.121 0.000 1.243 205 R HN 0.894 nan 8.270 nan 0.000 0.463 206 V N 0.823 120.770 119.914 0.055 0.000 2.427 206 V HA 0.373 4.490 4.120 -0.004 0.000 0.286 206 V C -0.192 175.818 176.094 -0.139 0.000 1.034 206 V CA -0.535 61.725 62.300 -0.067 0.000 0.893 206 V CB 1.369 33.075 31.823 -0.194 0.000 0.982 206 V HN 0.692 nan 8.190 nan 0.000 0.452 207 E N 2.757 122.860 120.200 -0.161 0.000 2.176 207 E HA 0.403 4.750 4.350 -0.004 0.000 0.267 207 E C -1.110 175.358 176.600 -0.221 0.000 0.893 207 E CA -0.743 55.582 56.400 -0.125 0.000 0.761 207 E CB 1.062 30.746 29.700 -0.026 0.000 1.133 207 E HN 0.678 nan 8.360 nan 0.000 0.409 208 H N 2.515 121.600 119.070 0.025 0.000 2.640 208 H HA 0.179 4.732 4.556 -0.004 0.000 0.297 208 H C 0.106 175.444 175.328 0.016 0.000 1.073 208 H CA -0.174 55.883 56.048 0.016 0.000 1.305 208 H CB 0.866 30.633 29.762 0.008 0.000 1.404 208 H HN 0.523 nan 8.280 nan 0.000 0.459 209 T N -0.569 114.050 114.554 0.108 0.000 2.937 209 T HA 0.199 4.547 4.350 -0.004 0.000 0.283 209 T C 1.538 176.278 174.700 0.066 0.000 1.012 209 T CA -0.678 61.465 62.100 0.071 0.000 0.997 209 T CB 1.349 70.244 68.868 0.045 0.000 1.136 209 T HN 0.360 nan 8.240 nan 0.000 0.551 210 S N 0.382 116.110 115.700 0.047 0.000 2.390 210 S HA -0.203 4.264 4.470 -0.004 0.000 0.234 210 S C 1.044 175.667 174.600 0.038 0.000 1.063 210 S CA 1.659 59.881 58.200 0.036 0.000 1.108 210 S CB -0.507 62.710 63.200 0.029 0.000 0.975 210 S HN 0.779 nan 8.310 nan 0.000 0.442 211 Q N 0.362 120.185 119.800 0.039 0.000 2.721 211 Q HA 0.551 4.888 4.340 -0.004 0.000 0.257 211 Q C 0.053 176.081 176.000 0.046 0.000 1.070 211 Q CA 0.425 56.252 55.803 0.039 0.000 0.910 211 Q CB 0.638 29.395 28.738 0.032 0.000 1.163 211 Q HN 0.537 nan 8.270 nan 0.000 0.501 212 G N 0.434 109.272 108.800 0.063 0.000 2.603 212 G HA2 0.199 4.156 3.960 -0.004 0.000 0.686 212 G HA3 0.199 4.156 3.960 -0.004 0.000 0.686 212 G C -1.021 173.932 174.900 0.089 0.000 1.286 212 G CA -0.629 44.516 45.100 0.075 0.000 0.871 212 G HN 0.651 nan 8.290 nan 0.000 0.568 213 A N 0.205 123.071 122.820 0.077 0.000 2.304 213 A HA 0.836 5.154 4.320 -0.004 0.000 0.301 213 A C 0.305 177.866 177.584 -0.038 0.000 1.132 213 A CA -0.151 51.874 52.037 -0.019 0.000 0.819 213 A CB 0.927 19.891 19.000 -0.060 0.000 1.094 213 A HN 0.774 nan 8.150 nan 0.000 0.492 214 K N 0.858 121.219 120.400 -0.065 0.000 2.397 214 K HA 0.228 4.545 4.320 -0.004 0.000 0.253 214 K C -1.784 174.856 176.600 0.066 0.000 0.932 214 K CA -0.365 55.924 56.287 0.004 0.000 0.795 214 K CB 2.191 34.694 32.500 0.005 0.000 1.159 214 K HN 0.712 nan 8.250 nan 0.000 0.424 215 W N 5.465 126.687 121.300 -0.131 0.000 2.311 215 W HA 0.336 4.993 4.660 -0.004 0.000 0.317 215 W C -0.672 175.778 176.519 -0.115 0.000 1.065 215 W CA -0.820 56.449 57.345 -0.127 0.000 1.364 215 W CB 0.143 29.516 29.460 -0.144 0.000 1.233 215 W HN 0.340 nan 8.180 nan 0.000 0.409 216 V N 2.827 122.795 119.914 0.091 0.000 3.155 216 V HA 0.611 4.728 4.120 -0.004 0.000 0.313 216 V C -0.074 175.989 176.094 -0.051 0.000 1.162 216 V CA -0.900 61.371 62.300 -0.049 0.000 1.048 216 V CB 1.975 33.799 31.823 0.003 0.000 1.092 216 V HN 0.452 nan 8.190 nan 0.000 0.447 217 D N 0.261 120.626 120.400 -0.058 0.000 2.772 217 D HA -0.141 4.497 4.640 -0.004 0.000 0.233 217 D C 0.551 176.813 176.300 -0.063 0.000 1.143 217 D CA 1.485 55.458 54.000 -0.046 0.000 0.700 217 D CB -1.650 39.150 40.800 0.000 0.000 1.076 217 D HN 1.293 nan 8.370 nan 0.000 0.430 218 T N -3.088 111.386 114.554 -0.133 0.000 2.874 218 T HA 0.391 4.739 4.350 -0.004 0.000 0.281 218 T C 0.304 174.992 174.700 -0.021 0.000 0.994 218 T CA -0.779 61.257 62.100 -0.107 0.000 1.015 218 T CB 2.560 71.202 68.868 -0.377 0.000 1.028 218 T HN 0.142 nan 8.240 nan 0.000 0.523 219 Q N 0.729 120.593 119.800 0.106 0.000 2.257 219 Q HA 0.521 4.858 4.340 -0.004 0.000 0.255 219 Q C -1.401 174.676 176.000 0.128 0.000 0.920 219 Q CA -0.772 55.101 55.803 0.117 0.000 0.927 219 Q CB 1.203 30.107 28.738 0.277 0.000 1.229 219 Q HN 0.622 nan 8.270 nan 0.000 0.433 220 V N 4.184 124.132 119.914 0.056 0.000 2.483 220 V HA 0.479 4.596 4.120 -0.004 0.000 0.295 220 V C -0.420 175.728 176.094 0.090 0.000 1.035 220 V CA -0.613 61.673 62.300 -0.024 0.000 0.896 220 V CB 1.777 33.551 31.823 -0.081 0.000 0.986 220 V HN 0.586 nan 8.190 nan 0.000 0.447 221 V N 5.709 125.699 119.914 0.127 0.000 2.656 221 V HA 0.486 4.604 4.120 -0.004 0.000 0.307 221 V C -0.289 175.918 176.094 0.188 0.000 1.051 221 V CA -0.610 61.813 62.300 0.206 0.000 0.893 221 V CB 2.033 34.065 31.823 0.350 0.000 0.999 221 V HN 0.642 nan 8.190 nan 0.000 0.426 222 L N 3.509 124.846 121.223 0.190 0.000 2.350 222 L HA 0.760 5.097 4.340 -0.004 0.000 0.275 222 L C 0.433 177.500 176.870 0.328 0.000 1.099 222 L CA -0.366 54.585 54.840 0.184 0.000 0.808 222 L CB 1.404 43.552 42.059 0.148 0.000 1.149 222 L HN 0.754 nan 8.230 nan 0.000 0.442 223 A N 5.004 127.957 122.820 0.221 0.000 2.267 223 A HA 0.577 4.895 4.320 -0.004 0.000 0.315 223 A C -0.493 177.371 177.584 0.467 0.000 1.297 223 A CA -0.463 51.736 52.037 0.270 0.000 0.865 223 A CB 0.881 19.580 19.000 -0.501 0.000 1.165 223 A HN 0.783 nan 8.150 nan 0.000 0.513 224 M N 6.288 126.226 119.600 0.562 0.000 2.129 224 M HA 0.440 4.917 4.480 -0.004 0.000 0.348 224 M C -2.586 174.002 176.300 0.480 0.000 1.116 224 M CA -2.125 53.445 55.300 0.451 0.000 1.022 224 M CB 2.011 34.801 32.600 0.317 0.000 1.599 224 M HN 0.376 nan 8.290 nan 0.000 0.449 225 P HA 0.242 nan 4.420 nan 0.000 0.288 225 P C -1.961 175.281 177.300 -0.096 0.000 1.267 225 P CA -0.104 62.930 63.100 -0.110 0.000 0.815 225 P CB 0.704 32.119 31.700 -0.475 0.000 0.989 226 Y N 0.677 120.923 120.300 -0.091 0.000 2.350 226 Y HA 0.322 4.870 4.550 -0.004 0.000 0.338 226 Y C 0.229 176.125 175.900 -0.006 0.000 0.961 226 Y CA -0.249 57.852 58.100 0.001 0.000 1.100 226 Y CB 1.412 39.901 38.460 0.049 0.000 1.179 226 Y HN 0.224 nan 8.280 nan 0.000 0.454 227 D N 1.930 122.440 120.400 0.183 0.000 2.193 227 D HA 0.422 5.059 4.640 -0.004 0.000 0.244 227 D C -0.627 175.896 176.300 0.371 0.000 1.064 227 D CA -0.226 53.924 54.000 0.251 0.000 0.845 227 D CB 1.775 42.760 40.800 0.307 0.000 1.148 227 D HN 0.374 nan 8.370 nan 0.000 0.464 228 T N 3.166 117.848 114.554 0.214 0.000 2.824 228 T HA 0.473 4.821 4.350 -0.004 0.000 0.282 228 T C -2.524 172.029 174.700 -0.244 0.000 0.993 228 T CA -1.445 60.686 62.100 0.052 0.000 0.967 228 T CB 2.116 71.006 68.868 0.036 0.000 0.960 228 T HN 0.181 nan 8.240 nan 0.000 0.441 229 P HA 0.344 nan 4.420 nan 0.000 0.279 229 P C -1.058 175.913 177.300 -0.550 0.000 1.239 229 P CA -0.424 62.012 63.100 -1.107 0.000 0.789 229 P CB 0.930 31.706 31.700 -1.539 0.000 0.933 230 V N 5.071 124.721 119.914 -0.441 0.000 2.340 230 V HA 0.264 4.381 4.120 -0.004 0.000 0.277 230 V C -2.029 173.932 176.094 -0.222 0.000 1.017 230 V CA -1.915 60.224 62.300 -0.269 0.000 0.820 230 V CB 1.402 33.115 31.823 -0.183 0.000 1.028 230 V HN 0.556 nan 8.190 nan 0.000 0.436 231 P HA 0.277 nan 4.420 nan 0.000 0.280 231 P C 0.309 177.561 177.300 -0.080 0.000 1.244 231 P CA 0.316 63.330 63.100 -0.144 0.000 0.784 231 P CB 1.812 33.423 31.700 -0.148 0.000 0.913 232 G N 2.041 110.812 108.800 -0.048 0.000 2.562 232 G HA2 0.186 4.143 3.960 -0.004 0.000 0.275 232 G HA3 0.186 4.143 3.960 -0.004 0.000 0.275 232 G C -1.255 173.662 174.900 0.029 0.000 1.196 232 G CA -0.645 44.457 45.100 0.003 0.000 0.908 232 G HN 0.525 nan 8.290 nan 0.000 0.524 233 Y N 0.447 120.713 120.300 -0.057 0.000 2.584 233 Y HA 0.287 4.834 4.550 -0.005 0.000 0.351 233 Y C 1.225 177.090 175.900 -0.057 0.000 1.030 233 Y CA -0.253 57.809 58.100 -0.064 0.000 1.332 233 Y CB 0.174 38.595 38.460 -0.066 0.000 1.148 233 Y HN 0.695 nan 8.280 nan 0.000 0.528 234 R N 2.736 122.929 120.500 -0.513 0.000 3.610 234 R HA -0.321 4.016 4.340 -0.004 0.000 0.274 234 R C 0.053 176.216 176.300 -0.228 0.000 1.123 234 R CA 1.514 57.343 56.100 -0.451 0.000 0.747 234 R CB -1.916 27.956 30.300 -0.714 0.000 1.149 234 R HN 0.942 nan 8.270 nan 0.000 0.471 235 N N -1.284 117.336 118.700 -0.133 0.000 2.177 235 N HA 0.061 4.799 4.740 -0.004 0.000 0.218 235 N C -0.257 175.211 175.510 -0.070 0.000 1.182 235 N CA -0.336 52.668 53.050 -0.077 0.000 0.882 235 N CB 0.499 38.968 38.487 -0.030 0.000 1.052 235 N HN 0.081 nan 8.380 nan 0.000 0.519 236 N N -0.098 118.555 118.700 -0.079 0.000 2.753 236 N HA -0.133 4.604 4.740 -0.004 0.000 0.251 236 N C -1.001 174.475 175.510 -0.058 0.000 1.097 236 N CA 0.564 53.576 53.050 -0.064 0.000 0.786 236 N CB -1.292 37.157 38.487 -0.062 0.000 1.137 236 N HN 0.192 nan 8.380 nan 0.000 0.566 237 V N 1.067 120.951 119.914 -0.049 0.000 2.439 237 V HA 0.468 4.585 4.120 -0.004 0.000 0.282 237 V C 0.545 176.615 176.094 -0.041 0.000 1.039 237 V CA -0.521 61.757 62.300 -0.036 0.000 0.913 237 V CB 2.222 34.050 31.823 0.009 0.000 0.983 237 V HN -0.042 nan 8.190 nan 0.000 0.460 238 V N 5.415 125.309 119.914 -0.034 0.000 2.419 238 V HA 0.433 4.551 4.120 -0.004 0.000 0.287 238 V C -0.122 175.956 176.094 -0.027 0.000 1.017 238 V CA -0.844 61.404 62.300 -0.086 0.000 0.844 238 V CB 1.457 33.212 31.823 -0.114 0.000 1.011 238 V HN 0.844 nan 8.190 nan 0.000 0.429 239 N N 1.964 120.625 118.700 -0.066 0.000 2.476 239 N HA 0.571 5.309 4.740 -0.004 0.000 0.287 239 N C -0.014 175.474 175.510 -0.036 0.000 1.262 239 N CA -0.286 52.750 53.050 -0.023 0.000 0.980 239 N CB 1.211 39.649 38.487 -0.083 0.000 1.163 239 N HN 0.567 nan 8.380 nan 0.000 0.592 240 T N 0.683 115.236 114.554 -0.002 0.000 2.863 240 T HA 0.457 4.805 4.350 -0.004 0.000 0.285 240 T C -0.321 174.354 174.700 -0.041 0.000 1.009 240 T CA -0.532 61.631 62.100 0.105 0.000 0.989 240 T CB 1.224 70.296 68.868 0.340 0.000 1.004 240 T HN 0.329 nan 8.240 nan 0.000 0.455 241 M N 3.452 122.996 119.600 -0.093 0.000 2.078 241 M HA 0.518 4.996 4.480 -0.004 0.000 0.320 241 M C -0.694 175.468 176.300 -0.231 0.000 0.969 241 M CA -0.745 54.406 55.300 -0.249 0.000 0.929 241 M CB 0.909 33.310 32.600 -0.331 0.000 1.504 241 M HN 0.487 nan 8.290 nan 0.000 0.419 242 R N 4.730 124.993 120.500 -0.395 0.000 2.265 242 R HA 0.565 4.903 4.340 -0.004 0.000 0.328 242 R C -1.949 174.102 176.300 -0.415 0.000 0.969 242 R CA -0.578 55.262 56.100 -0.434 0.000 0.832 242 R CB 0.910 30.805 30.300 -0.674 0.000 1.139 242 R HN 0.639 nan 8.270 nan 0.000 0.457 243 L N 5.564 126.634 121.223 -0.255 0.000 2.313 243 L HA 0.461 4.798 4.340 -0.004 0.000 0.283 243 L C -0.968 175.862 176.870 -0.066 0.000 1.013 243 L CA -0.629 54.151 54.840 -0.100 0.000 0.816 243 L CB 1.139 43.221 42.059 0.037 0.000 1.236 243 L HN 0.628 nan 8.230 nan 0.000 0.419 244 W N 2.173 123.609 121.300 0.226 0.000 2.316 244 W HA 0.586 5.244 4.660 -0.004 0.000 0.321 244 W C 0.590 177.343 176.519 0.389 0.000 1.203 244 W CA -0.235 57.266 57.345 0.260 0.000 1.214 244 W CB 1.362 30.841 29.460 0.033 0.000 1.169 244 W HN 0.451 nan 8.180 nan 0.000 0.561 245 S N 1.821 117.945 115.700 0.706 0.000 2.500 245 S HA 0.769 5.237 4.470 -0.004 0.000 0.301 245 S C -0.494 174.459 174.600 0.588 0.000 1.092 245 S CA -0.731 57.782 58.200 0.521 0.000 1.030 245 S CB 0.646 64.090 63.200 0.406 0.000 1.031 245 S HN 0.542 nan 8.310 nan 0.000 0.483 246 A N 4.773 127.785 122.820 0.320 0.000 2.366 246 A HA 0.669 4.986 4.320 -0.004 0.000 0.272 246 A C -0.113 177.574 177.584 0.172 0.000 1.135 246 A CA -0.259 51.873 52.037 0.159 0.000 0.804 246 A CB 0.363 19.184 19.000 -0.298 0.000 1.064 246 A HN 0.654 nan 8.150 nan 0.000 0.499 247 K N 0.892 121.412 120.400 0.200 0.000 2.464 247 K HA 0.630 4.947 4.320 -0.004 0.000 0.253 247 K C -0.602 176.075 176.600 0.127 0.000 0.933 247 K CA -0.406 55.974 56.287 0.155 0.000 0.801 247 K CB 2.265 34.870 32.500 0.174 0.000 1.271 247 K HN 0.839 nan 8.250 nan 0.000 0.430 248 A N 4.080 126.957 122.820 0.095 0.000 2.316 248 A HA 0.562 4.879 4.320 -0.004 0.000 0.284 248 A C -2.162 175.476 177.584 0.090 0.000 1.115 248 A CA -1.212 50.877 52.037 0.088 0.000 0.812 248 A CB -0.047 18.993 19.000 0.067 0.000 1.064 248 A HN 0.377 nan 8.150 nan 0.000 0.489 249 P HA 0.132 nan 4.420 nan 0.000 0.274 249 P C -0.170 177.180 177.300 0.083 0.000 1.237 249 P CA -0.267 62.888 63.100 0.092 0.000 0.793 249 P CB 0.661 32.426 31.700 0.109 0.000 0.977 250 N N -0.121 118.619 118.700 0.066 0.000 2.446 250 N HA -0.091 4.646 4.740 -0.004 0.000 0.179 250 N C 1.051 176.594 175.510 0.054 0.000 1.054 250 N CA 0.236 53.320 53.050 0.057 0.000 0.905 250 N CB -0.001 38.513 38.487 0.044 0.000 0.973 250 N HN 0.594 nan 8.380 nan 0.000 0.448 251 D N 0.740 121.169 120.400 0.047 0.000 2.130 251 D HA -0.100 4.538 4.640 -0.004 0.000 0.292 251 D C 1.362 177.706 176.300 0.074 0.000 1.146 251 D CA 0.198 54.200 54.000 0.003 0.000 0.883 251 D CB -0.991 39.758 40.800 -0.085 0.000 0.936 251 D HN 0.028 nan 8.370 nan 0.000 0.298 252 F N 0.450 120.427 119.950 0.044 0.000 2.118 252 F HA -0.300 4.224 4.527 -0.004 0.000 0.297 252 F C 1.761 177.594 175.800 0.055 0.000 1.061 252 F CA 1.612 59.645 58.000 0.055 0.000 1.268 252 F CB -0.526 38.505 39.000 0.052 0.000 1.019 252 F HN 0.110 nan 8.300 nan 0.000 0.492 253 N N 0.058 118.905 118.700 0.245 0.000 2.530 253 N HA -0.009 4.728 4.740 -0.004 0.000 0.216 253 N C 0.824 176.403 175.510 0.114 0.000 1.315 253 N CA 0.248 53.386 53.050 0.146 0.000 0.858 253 N CB 0.083 38.634 38.487 0.106 0.000 1.138 253 N HN 0.184 nan 8.380 nan 0.000 0.473 254 L N -1.245 120.064 121.223 0.144 0.000 2.683 254 L HA -0.031 4.306 4.340 -0.004 0.000 0.312 254 L C 1.133 178.089 176.870 0.143 0.000 1.110 254 L CA 0.664 55.580 54.840 0.126 0.000 1.560 254 L CB -0.751 41.373 42.059 0.109 0.000 2.641 254 L HN 0.215 nan 8.230 nan 0.000 0.526 255 K N -0.307 120.164 120.400 0.118 0.000 2.418 255 K HA -0.013 4.304 4.320 -0.004 0.000 0.195 255 K C 0.352 177.061 176.600 0.182 0.000 1.035 255 K CA 0.418 56.735 56.287 0.049 0.000 1.003 255 K CB 0.024 32.433 32.500 -0.151 0.000 0.793 255 K HN 0.127 nan 8.250 nan 0.000 0.494 256 D N 2.591 123.197 120.400 0.343 0.000 2.541 256 D HA -0.021 4.617 4.640 -0.004 0.000 0.231 256 D C 0.065 176.601 176.300 0.393 0.000 1.163 256 D CA -0.147 54.125 54.000 0.453 0.000 1.077 256 D CB -0.168 40.853 40.800 0.370 0.000 1.110 256 D HN 0.168 nan 8.370 nan 0.000 0.499 257 F N 1.061 121.067 119.950 0.094 0.000 2.378 257 F HA 0.116 4.641 4.527 -0.004 0.000 0.290 257 F C 0.718 176.553 175.800 0.059 0.000 1.282 257 F CA -1.587 56.452 58.000 0.066 0.000 1.278 257 F CB -0.986 38.040 39.000 0.045 0.000 1.364 257 F HN 0.199 nan 8.300 nan 0.000 0.514 258 N N -1.139 117.476 118.700 -0.141 0.000 2.648 258 N HA 0.033 4.770 4.740 -0.004 0.000 0.265 258 N C -0.636 174.815 175.510 -0.099 0.000 1.100 258 N CA 0.806 53.713 53.050 -0.239 0.000 0.715 258 N CB -0.953 37.234 38.487 -0.499 0.000 0.881 258 N HN 0.777 nan 8.380 nan 0.000 0.548 259 V N -0.924 118.983 119.914 -0.011 0.000 3.277 259 V HA 0.771 4.889 4.120 -0.004 0.000 0.313 259 V C 0.596 176.703 176.094 0.022 0.000 1.574 259 V CA 0.033 62.337 62.300 0.005 0.000 0.966 259 V CB 1.238 33.077 31.823 0.027 0.000 1.027 259 V HN 0.283 nan 8.190 nan 0.000 0.484 260 G N 0.130 108.945 108.800 0.025 0.000 3.424 260 G HA2 0.548 4.505 3.960 -0.004 0.000 0.263 260 G HA3 0.548 4.505 3.960 -0.004 0.000 0.263 260 G C 0.584 175.506 174.900 0.037 0.000 1.310 260 G CA 0.675 45.790 45.100 0.025 0.000 1.089 260 G HN 1.926 nan 8.290 nan 0.000 0.534 261 G N -1.280 107.557 108.800 0.062 0.000 2.907 261 G HA2 -0.166 3.791 3.960 -0.004 0.000 0.686 261 G HA3 -0.166 3.791 3.960 -0.004 0.000 0.686 261 G C 0.121 175.086 174.900 0.108 0.000 1.115 261 G CA 0.003 45.155 45.100 0.086 0.000 0.760 261 G HN 0.420 nan 8.290 nan 0.000 0.620 262 Y N 2.795 123.114 120.300 0.032 0.000 2.097 262 Y HA -0.156 4.392 4.550 -0.004 0.000 0.282 262 Y C 2.705 178.622 175.900 0.028 0.000 1.152 262 Y CA 2.487 60.606 58.100 0.032 0.000 1.136 262 Y CB -0.103 38.373 38.460 0.027 0.000 0.975 262 Y HN 0.516 nan 8.280 nan 0.000 0.498 263 I N 0.497 120.987 120.570 -0.133 0.000 2.127 263 I HA -0.330 3.837 4.170 -0.004 0.000 0.241 263 I C 2.423 178.430 176.117 -0.183 0.000 1.075 263 I CA 1.585 62.749 61.300 -0.227 0.000 1.334 263 I CB -1.480 36.500 38.000 -0.034 0.000 1.040 263 I HN 0.381 nan 8.210 nan 0.000 0.405 264 Q N 0.475 120.224 119.800 -0.086 0.000 2.096 264 Q HA -0.143 4.194 4.340 -0.004 0.000 0.204 264 Q C 2.376 178.334 176.000 -0.071 0.000 0.982 264 Q CA 1.946 57.715 55.803 -0.058 0.000 0.850 264 Q CB -0.363 28.363 28.738 -0.020 0.000 0.901 264 Q HN 0.564 nan 8.270 nan 0.000 0.422 265 A N -0.125 122.647 122.820 -0.080 0.000 1.902 265 A HA -0.133 4.184 4.320 -0.004 0.000 0.217 265 A C 2.392 179.919 177.584 -0.096 0.000 1.181 265 A CA 1.634 53.637 52.037 -0.057 0.000 0.623 265 A CB -0.591 18.399 19.000 -0.015 0.000 0.818 265 A HN 0.231 nan 8.150 nan 0.000 0.443 266 V N 0.095 119.883 119.914 -0.210 0.000 2.358 266 V HA -0.209 3.909 4.120 -0.004 0.000 0.246 266 V C 2.517 178.547 176.094 -0.106 0.000 1.047 266 V CA 1.740 63.926 62.300 -0.191 0.000 1.035 266 V CB -0.704 30.916 31.823 -0.337 0.000 0.658 266 V HN 0.562 nan 8.190 nan 0.000 0.452 267 L N -0.228 120.934 121.223 -0.101 0.000 2.093 267 L HA -0.148 4.189 4.340 -0.004 0.000 0.208 267 L C 2.060 178.911 176.870 -0.032 0.000 1.085 267 L CA 1.301 56.108 54.840 -0.055 0.000 0.755 267 L CB -0.704 41.325 42.059 -0.049 0.000 0.904 267 L HN 0.331 nan 8.230 nan 0.000 0.435 268 D N 0.059 120.440 120.400 -0.032 0.000 2.392 268 D HA -0.089 4.548 4.640 -0.004 0.000 0.228 268 D C 2.119 178.416 176.300 -0.005 0.000 1.003 268 D CA 0.486 54.476 54.000 -0.015 0.000 0.917 268 D CB -0.031 40.761 40.800 -0.013 0.000 0.890 268 D HN 0.266 nan 8.370 nan 0.000 0.532 269 R N 0.499 120.996 120.500 -0.004 0.000 2.152 269 R HA -0.009 4.328 4.340 -0.004 0.000 0.232 269 R C 0.786 177.095 176.300 0.015 0.000 1.117 269 R CA 0.538 56.645 56.100 0.012 0.000 0.981 269 R CB -0.064 30.244 30.300 0.013 0.000 0.870 269 R HN 0.083 nan 8.270 nan 0.000 0.451 270 N N 0.870 119.576 118.700 0.010 0.000 2.683 270 N HA -0.031 4.706 4.740 -0.004 0.000 0.256 270 N C 0.210 175.726 175.510 0.010 0.000 1.270 270 N CA 0.466 53.525 53.050 0.016 0.000 0.954 270 N CB 0.680 39.178 38.487 0.018 0.000 1.289 270 N HN 0.120 nan 8.380 nan 0.000 0.508 271 L N -0.682 120.543 121.223 0.003 0.000 2.806 271 L HA 0.303 4.640 4.340 -0.004 0.000 0.242 271 L C 1.905 178.763 176.870 -0.019 0.000 1.068 271 L CA 0.574 55.411 54.840 -0.006 0.000 0.923 271 L CB -0.119 41.935 42.059 -0.007 0.000 1.364 271 L HN 0.097 nan 8.230 nan 0.000 0.511 272 A N -0.730 122.083 122.820 -0.012 0.000 1.943 272 A HA -0.006 4.312 4.320 -0.004 0.000 0.213 272 A C 1.852 179.408 177.584 -0.047 0.000 1.181 272 A CA 0.801 52.822 52.037 -0.028 0.000 0.653 272 A CB -0.214 18.797 19.000 0.019 0.000 0.833 272 A HN 0.412 nan 8.150 nan 0.000 0.451 273 E N 0.548 120.742 120.200 -0.010 0.000 2.418 273 E HA -0.096 4.252 4.350 -0.004 0.000 0.197 273 E C 0.857 177.455 176.600 -0.004 0.000 1.026 273 E CA 0.335 56.733 56.400 -0.003 0.000 0.862 273 E CB -0.178 29.544 29.700 0.036 0.000 0.799 273 E HN 0.432 nan 8.360 nan 0.000 0.518 274 N N 1.100 119.798 118.700 -0.003 0.000 2.453 274 N HA -0.077 4.660 4.740 -0.004 0.000 0.183 274 N C 1.642 177.162 175.510 0.018 0.000 1.041 274 N CA 0.557 53.623 53.050 0.026 0.000 0.900 274 N CB -0.046 38.454 38.487 0.023 0.000 0.961 274 N HN 0.276 nan 8.380 nan 0.000 0.443 275 I N 0.412 120.936 120.570 -0.077 0.000 2.194 275 I HA -0.254 3.913 4.170 -0.004 0.000 0.246 275 I C 1.423 177.521 176.117 -0.031 0.000 1.093 275 I CA 1.283 62.506 61.300 -0.128 0.000 1.355 275 I CB -0.209 37.544 38.000 -0.412 0.000 1.046 275 I HN 0.132 nan 8.210 nan 0.000 0.413 276 S N -0.493 115.186 115.700 -0.034 0.000 2.582 276 S HA 0.180 4.648 4.470 -0.004 0.000 0.234 276 S C 1.463 176.207 174.600 0.241 0.000 0.961 276 S CA -0.537 57.729 58.200 0.111 0.000 0.953 276 S CB 0.265 63.516 63.200 0.084 0.000 0.800 276 S HN 0.210 nan 8.310 nan 0.000 0.471 277 R N 1.346 121.988 120.500 0.236 0.000 2.062 277 R HA 0.262 4.600 4.340 -0.004 0.000 0.229 277 R C 0.463 177.016 176.300 0.421 0.000 1.128 277 R CA 1.216 57.495 56.100 0.299 0.000 0.960 277 R CB -0.252 30.189 30.300 0.235 0.000 0.855 277 R HN 0.405 nan 8.270 nan 0.000 0.432 278 V N -0.041 120.084 119.914 0.352 0.000 3.012 278 V HA 0.371 4.489 4.120 -0.004 0.000 0.307 278 V C -1.696 174.368 176.094 -0.050 0.000 1.166 278 V CA -1.381 61.054 62.300 0.224 0.000 0.974 278 V CB 1.811 33.701 31.823 0.111 0.000 1.040 278 V HN 0.133 nan 8.190 nan 0.000 0.428 279 L N 5.993 126.961 121.223 -0.425 0.000 2.331 279 L HA 0.505 4.842 4.340 -0.004 0.000 0.278 279 L C -0.882 175.839 176.870 -0.249 0.000 1.106 279 L CA 0.367 54.759 54.840 -0.746 0.000 0.824 279 L CB 0.593 42.144 42.059 -0.847 0.000 1.142 279 L HN 0.684 nan 8.230 nan 0.000 0.443 280 Y N 6.901 127.121 120.300 -0.133 0.000 2.569 280 Y HA 0.188 4.735 4.550 -0.004 0.000 0.332 280 Y C -1.348 174.558 175.900 0.011 0.000 1.120 280 Y CA -1.285 56.812 58.100 -0.005 0.000 1.416 280 Y CB 0.347 38.830 38.460 0.038 0.000 1.210 280 Y HN 0.566 nan 8.280 nan 0.000 0.528 281 P HA -0.010 nan 4.420 nan 0.000 0.259 281 P C -1.071 176.374 177.300 0.242 0.000 1.480 281 P CA 0.211 63.430 63.100 0.198 0.000 0.842 281 P CB -0.172 31.729 31.700 0.337 0.000 1.513 282 N N 0.782 119.634 118.700 0.253 0.000 2.456 282 N HA 0.217 4.954 4.740 -0.004 0.000 0.288 282 N C -0.526 175.148 175.510 0.272 0.000 1.059 282 N CA -0.515 52.709 53.050 0.291 0.000 0.946 282 N CB 1.181 39.879 38.487 0.351 0.000 1.150 282 N HN -0.000 nan 8.380 nan 0.000 0.479 283 D N 1.922 122.512 120.400 0.317 0.000 2.481 283 D HA 0.125 4.763 4.640 -0.004 0.000 0.246 283 D C -0.601 175.935 176.300 0.393 0.000 1.109 283 D CA -0.274 53.911 54.000 0.310 0.000 0.845 283 D CB 0.440 41.417 40.800 0.294 0.000 1.160 283 D HN 0.532 nan 8.370 nan 0.000 0.534 284 N N 2.894 121.785 118.700 0.317 0.000 2.738 284 N HA -0.250 4.487 4.740 -0.004 0.000 0.249 284 N C -1.242 174.529 175.510 0.435 0.000 1.047 284 N CA 0.677 53.903 53.050 0.293 0.000 0.707 284 N CB -1.017 37.582 38.487 0.187 0.000 0.937 284 N HN 0.411 nan 8.380 nan 0.000 0.545 285 F N 0.850 120.922 119.950 0.203 0.000 2.651 285 F HA 0.376 4.900 4.527 -0.004 0.000 0.329 285 F C -1.157 174.736 175.800 0.156 0.000 1.186 285 F CA -1.069 57.023 58.000 0.153 0.000 1.046 285 F CB 0.783 39.834 39.000 0.085 0.000 1.296 285 F HN 0.005 nan 8.300 nan 0.000 0.497 286 F N 5.934 125.508 119.950 -0.626 0.000 2.420 286 F HA 0.466 4.991 4.527 -0.004 0.000 0.352 286 F C -0.315 175.066 175.800 -0.698 0.000 1.108 286 F CA -0.062 57.616 58.000 -0.538 0.000 1.162 286 F CB 0.678 39.397 39.000 -0.469 0.000 1.118 286 F HN 0.576 nan 8.300 nan 0.000 0.510 287 E N 4.252 123.830 120.200 -1.037 0.000 2.186 287 E HA 0.285 4.632 4.350 -0.004 0.000 0.255 287 E C -0.319 175.546 176.600 -1.225 0.000 0.881 287 E CA -0.724 55.149 56.400 -0.878 0.000 0.752 287 E CB 1.338 30.896 29.700 -0.236 0.000 1.176 287 E HN 0.909 nan 8.360 nan 0.000 0.421 288 G N 5.167 113.131 108.800 -1.393 0.000 3.101 288 G HA2 0.068 4.025 3.960 -0.004 0.000 0.272 288 G HA3 0.068 4.025 3.960 -0.004 0.000 0.272 288 G C -0.114 174.690 174.900 -0.160 0.000 0.801 288 G CA -0.237 44.267 45.100 -0.992 0.000 1.978 288 G HN 0.182 nan 8.290 nan 0.000 0.591 289 K N 0.581 120.979 120.400 -0.004 0.000 2.123 289 K HA 0.227 4.545 4.320 -0.004 0.000 0.259 289 K C 0.874 177.612 176.600 0.231 0.000 0.960 289 K CA -0.794 55.569 56.287 0.128 0.000 0.872 289 K CB 2.380 34.959 32.500 0.132 0.000 1.079 289 K HN 0.433 nan 8.250 nan 0.000 0.440 290 E N 1.274 121.572 120.200 0.163 0.000 2.118 290 E HA -0.203 4.145 4.350 -0.004 0.000 0.195 290 E C 1.505 178.136 176.600 0.051 0.000 0.992 290 E CA 0.984 57.434 56.400 0.083 0.000 0.804 290 E CB 0.172 29.918 29.700 0.077 0.000 0.741 290 E HN 0.393 nan 8.360 nan 0.000 0.458 291 L N 1.266 122.561 121.223 0.120 0.000 2.083 291 L HA -0.157 4.180 4.340 -0.004 0.000 0.209 291 L C 2.346 179.313 176.870 0.162 0.000 1.083 291 L CA 1.558 56.487 54.840 0.149 0.000 0.752 291 L CB -0.438 41.776 42.059 0.258 0.000 0.899 291 L HN 0.008 nan 8.230 nan 0.000 0.433 292 R N -0.502 120.041 120.500 0.072 0.000 2.075 292 R HA -0.091 4.246 4.340 -0.004 0.000 0.232 292 R C 2.186 178.528 176.300 0.070 0.000 1.126 292 R CA 1.564 57.630 56.100 -0.056 0.000 0.963 292 R CB -1.117 28.986 30.300 -0.329 0.000 0.858 292 R HN 0.429 nan 8.270 nan 0.000 0.435 293 L N 1.437 122.617 121.223 -0.071 0.000 2.093 293 L HA -0.104 4.234 4.340 -0.004 0.000 0.208 293 L C 1.907 178.721 176.870 -0.094 0.000 1.085 293 L CA 1.856 56.447 54.840 -0.415 0.000 0.755 293 L CB -0.354 41.168 42.059 -0.895 0.000 0.904 293 L HN 0.030 nan 8.230 nan 0.000 0.435 294 K N -0.952 119.446 120.400 -0.003 0.000 2.097 294 K HA -0.193 4.124 4.320 -0.004 0.000 0.206 294 K C 2.065 178.837 176.600 0.287 0.000 1.049 294 K CA 1.761 58.129 56.287 0.135 0.000 0.933 294 K CB -0.165 32.248 32.500 -0.144 0.000 0.717 294 K HN 0.531 nan 8.250 nan 0.000 0.442 295 Q N 0.638 120.569 119.800 0.219 0.000 2.050 295 Q HA -0.178 4.160 4.340 -0.004 0.000 0.202 295 Q C 1.963 178.161 176.000 0.330 0.000 0.980 295 Q CA 1.369 57.355 55.803 0.305 0.000 0.840 295 Q CB -0.043 28.892 28.738 0.329 0.000 0.898 295 Q HN 0.383 nan 8.270 nan 0.000 0.424 296 E N -0.070 120.275 120.200 0.243 0.000 2.077 296 E HA -0.218 4.129 4.350 -0.004 0.000 0.193 296 E C 1.742 178.451 176.600 0.181 0.000 0.989 296 E CA 1.106 57.630 56.400 0.207 0.000 0.800 296 E CB -0.134 29.664 29.700 0.163 0.000 0.746 296 E HN 0.321 nan 8.360 nan 0.000 0.452 297 Y N 0.243 120.582 120.300 0.065 0.000 2.263 297 Y HA -0.179 4.369 4.550 -0.004 0.000 0.292 297 Y C 1.935 177.856 175.900 0.035 0.000 1.130 297 Y CA 0.868 58.955 58.100 -0.021 0.000 1.179 297 Y CB -0.328 38.075 38.460 -0.095 0.000 0.998 297 Y HN 0.006 nan 8.280 nan 0.000 0.532 298 F N -0.297 119.635 119.950 -0.029 0.000 2.065 298 F HA -0.249 4.276 4.527 -0.004 0.000 0.298 298 F C 2.489 178.141 175.800 -0.247 0.000 1.112 298 F CA 2.031 59.971 58.000 -0.099 0.000 1.212 298 F CB -1.089 38.007 39.000 0.159 0.000 0.975 298 F HN -0.065 nan 8.300 nan 0.000 0.476 299 V N -0.464 119.414 119.914 -0.059 0.000 2.427 299 V HA -0.206 3.912 4.120 -0.004 0.000 0.248 299 V C 2.197 178.137 176.094 -0.257 0.000 1.051 299 V CA 1.937 64.163 62.300 -0.122 0.000 1.048 299 V CB -0.379 31.568 31.823 0.207 0.000 0.666 299 V HN 0.260 nan 8.190 nan 0.000 0.456 300 V N 0.410 120.180 119.914 -0.239 0.000 2.307 300 V HA -0.171 3.947 4.120 -0.004 0.000 0.245 300 V C 2.796 178.623 176.094 -0.444 0.000 1.045 300 V CA 2.084 64.226 62.300 -0.264 0.000 1.024 300 V CB -1.085 30.646 31.823 -0.153 0.000 0.651 300 V HN 0.640 nan 8.190 nan 0.000 0.449 301 A N -0.097 122.286 122.820 -0.729 0.000 1.877 301 A HA -0.097 4.221 4.320 -0.004 0.000 0.216 301 A C 2.415 179.616 177.584 -0.639 0.000 1.186 301 A CA 2.089 53.693 52.037 -0.721 0.000 0.620 301 A CB -0.825 17.540 19.000 -1.058 0.000 0.822 301 A HN 0.555 nan 8.150 nan 0.000 0.443 302 A N -0.980 121.297 122.820 -0.905 0.000 1.877 302 A HA -0.081 4.236 4.320 -0.004 0.000 0.216 302 A C 2.322 179.396 177.584 -0.850 0.000 1.186 302 A CA 2.333 53.644 52.037 -1.211 0.000 0.620 302 A CB -1.346 16.253 19.000 -2.336 0.000 0.822 302 A HN 0.429 nan 8.150 nan 0.000 0.443 303 T N 0.531 114.716 114.554 -0.615 0.000 2.684 303 T HA -0.111 4.237 4.350 -0.004 0.000 0.267 303 T C 1.825 176.247 174.700 -0.464 0.000 1.036 303 T CA 1.487 63.331 62.100 -0.426 0.000 1.148 303 T CB -0.409 68.209 68.868 -0.416 0.000 0.863 303 T HN 0.340 nan 8.240 nan 0.000 0.436 304 L N 0.676 121.676 121.223 -0.372 0.000 2.083 304 L HA -0.165 4.173 4.340 -0.004 0.000 0.209 304 L C 2.902 179.644 176.870 -0.212 0.000 1.083 304 L CA 1.406 56.080 54.840 -0.277 0.000 0.752 304 L CB -0.517 41.418 42.059 -0.207 0.000 0.899 304 L HN 0.369 nan 8.230 nan 0.000 0.433 305 Q N -0.666 119.005 119.800 -0.214 0.000 2.119 305 Q HA -0.233 4.105 4.340 -0.004 0.000 0.201 305 Q C 1.745 177.698 176.000 -0.079 0.000 0.972 305 Q CA 1.560 57.286 55.803 -0.128 0.000 0.847 305 Q CB -0.069 28.582 28.738 -0.144 0.000 0.903 305 Q HN 0.386 nan 8.270 nan 0.000 0.433 306 D N 0.597 120.940 120.400 -0.095 0.000 2.117 306 D HA -0.096 4.541 4.640 -0.004 0.000 0.198 306 D C 1.666 177.909 176.300 -0.095 0.000 0.982 306 D CA 0.869 54.864 54.000 -0.009 0.000 0.828 306 D CB 0.001 40.905 40.800 0.174 0.000 0.967 306 D HN 0.158 nan 8.370 nan 0.000 0.464 307 I N 0.195 120.606 120.570 -0.265 0.000 2.179 307 I HA -0.238 3.929 4.170 -0.004 0.000 0.242 307 I C 2.351 178.480 176.117 0.020 0.000 1.088 307 I CA 0.747 61.840 61.300 -0.344 0.000 1.357 307 I CB -0.164 37.475 38.000 -0.602 0.000 1.051 307 I HN 0.043 nan 8.210 nan 0.000 0.409 308 I N 0.322 120.947 120.570 0.093 0.000 2.226 308 I HA -0.305 3.863 4.170 -0.004 0.000 0.245 308 I C 2.791 179.070 176.117 0.269 0.000 1.100 308 I CA 1.264 62.731 61.300 0.279 0.000 1.374 308 I CB -0.429 37.671 38.000 0.167 0.000 1.057 308 I HN 0.209 nan 8.210 nan 0.000 0.413 309 R N 1.255 121.832 120.500 0.130 0.000 2.083 309 R HA -0.221 4.117 4.340 -0.004 0.000 0.237 309 R C 2.514 178.870 176.300 0.094 0.000 1.137 309 R CA 1.717 57.872 56.100 0.093 0.000 0.951 309 R CB -0.262 30.060 30.300 0.036 0.000 0.851 309 R HN 0.193 nan 8.270 nan 0.000 0.434 310 R N -0.597 119.956 120.500 0.089 0.000 2.096 310 R HA -0.170 4.167 4.340 -0.004 0.000 0.235 310 R C 2.098 178.494 176.300 0.160 0.000 1.127 310 R CA 1.655 57.812 56.100 0.095 0.000 0.968 310 R CB -0.373 29.973 30.300 0.078 0.000 0.861 310 R HN 0.299 nan 8.270 nan 0.000 0.440 311 F N 1.608 121.605 119.950 0.077 0.000 2.084 311 F HA -0.099 4.426 4.527 -0.004 0.000 0.296 311 F C 1.604 177.432 175.800 0.047 0.000 1.111 311 F CA 1.550 59.602 58.000 0.086 0.000 1.224 311 F CB -0.115 39.010 39.000 0.208 0.000 0.991 311 F HN -0.148 nan 8.300 nan 0.000 0.471 312 K N -0.059 120.332 120.400 -0.014 0.000 2.520 312 K HA -0.109 4.208 4.320 -0.004 0.000 0.197 312 K C 1.960 178.454 176.600 -0.177 0.000 1.043 312 K CA 1.143 57.323 56.287 -0.177 0.000 0.944 312 K CB -0.244 32.263 32.500 0.012 0.000 0.770 312 K HN 0.262 nan 8.250 nan 0.000 0.480 313 S N 0.005 115.642 115.700 -0.105 0.000 2.456 313 S HA 0.042 4.510 4.470 -0.004 0.000 0.224 313 S C 0.871 175.417 174.600 -0.089 0.000 1.035 313 S CA -0.141 58.041 58.200 -0.031 0.000 0.940 313 S CB 0.307 63.558 63.200 0.084 0.000 0.799 313 S HN 0.156 nan 8.310 nan 0.000 0.508 325 N N 1.106 119.771 118.700 -0.058 0.000 2.415 325 N HA 0.295 5.033 4.740 -0.004 0.000 0.246 325 N C 0.185 175.728 175.510 0.054 0.000 1.078 325 N CA -0.368 52.703 53.050 0.035 0.000 0.942 325 N CB 0.462 38.980 38.487 0.052 0.000 1.140 325 N HN 0.288 nan 8.380 nan 0.000 0.501 326 F N 1.085 121.116 119.950 0.135 0.000 2.816 326 F HA 0.023 4.547 4.527 -0.004 0.000 0.302 326 F C 1.192 177.051 175.800 0.099 0.000 1.178 326 F CA 0.274 58.337 58.000 0.105 0.000 1.421 326 F CB 0.136 39.078 39.000 -0.095 0.000 1.114 326 F HN 0.491 nan 8.300 nan 0.000 0.573 327 D N 0.085 120.617 120.400 0.221 0.000 2.264 327 D HA -0.114 4.524 4.640 -0.004 0.000 0.208 327 D C 2.148 178.539 176.300 0.152 0.000 0.966 327 D CA 1.062 55.155 54.000 0.154 0.000 0.864 327 D CB -0.024 40.840 40.800 0.107 0.000 0.933 327 D HN 0.240 nan 8.370 nan 0.000 0.499 328 A N -0.639 122.298 122.820 0.196 0.000 2.275 328 A HA 0.108 4.425 4.320 -0.004 0.000 0.212 328 A C 1.550 179.258 177.584 0.207 0.000 1.201 328 A CA -0.293 51.858 52.037 0.190 0.000 0.843 328 A CB -0.731 18.391 19.000 0.202 0.000 0.873 328 A HN 0.226 nan 8.150 nan 0.000 0.492 329 F N 1.842 121.778 119.950 -0.023 0.000 2.091 329 F HA -0.139 4.386 4.527 -0.004 0.000 0.299 329 F C -0.792 174.919 175.800 -0.149 0.000 1.103 329 F CA 2.460 60.261 58.000 -0.332 0.000 1.228 329 F CB -0.567 38.246 39.000 -0.313 0.000 0.984 329 F HN 0.197 nan 8.300 nan 0.000 0.477 330 P HA -0.109 nan 4.420 nan 0.000 0.222 330 P C 0.697 177.952 177.300 -0.075 0.000 1.147 330 P CA 1.529 64.596 63.100 -0.054 0.000 0.790 330 P CB -0.051 31.648 31.700 -0.001 0.000 0.780 331 D N -1.042 119.337 120.400 -0.035 0.000 2.323 331 D HA -0.016 4.622 4.640 -0.004 0.000 0.209 331 D C 1.427 177.714 176.300 -0.022 0.000 0.973 331 D CA 0.865 54.858 54.000 -0.012 0.000 0.874 331 D CB 0.133 40.947 40.800 0.024 0.000 0.930 331 D HN 0.152 nan 8.370 nan 0.000 0.521 332 K N 0.107 120.474 120.400 -0.055 0.000 2.402 332 K HA 0.223 4.540 4.320 -0.004 0.000 0.203 332 K C -0.044 176.473 176.600 -0.138 0.000 1.077 332 K CA 0.022 56.290 56.287 -0.031 0.000 1.051 332 K CB 2.365 34.960 32.500 0.159 0.000 0.907 332 K HN -0.065 nan 8.250 nan 0.000 0.554 333 V N 0.806 120.543 119.914 -0.295 0.000 2.808 333 V HA 0.645 4.762 4.120 -0.004 0.000 0.308 333 V C -1.252 174.738 176.094 -0.173 0.000 1.099 333 V CA -1.274 60.847 62.300 -0.298 0.000 0.920 333 V CB 1.956 33.318 31.823 -0.768 0.000 1.014 333 V HN 0.109 nan 8.190 nan 0.000 0.425 334 A N 5.509 128.284 122.820 -0.075 0.000 2.359 334 A HA 0.914 5.232 4.320 -0.004 0.000 0.303 334 A C -1.068 176.533 177.584 0.029 0.000 1.066 334 A CA -0.426 51.597 52.037 -0.023 0.000 0.730 334 A CB 1.042 19.968 19.000 -0.123 0.000 1.211 334 A HN 0.756 nan 8.150 nan 0.000 0.439 335 I N 1.922 122.560 120.570 0.112 0.000 2.382 335 I HA 0.311 4.479 4.170 -0.004 0.000 0.286 335 I C -0.342 175.869 176.117 0.157 0.000 1.002 335 I CA -0.569 60.813 61.300 0.137 0.000 1.135 335 I CB 1.961 40.025 38.000 0.106 0.000 1.288 335 I HN 0.704 nan 8.210 nan 0.000 0.448 336 Q N 6.890 126.781 119.800 0.151 0.000 2.314 336 Q HA 0.508 4.845 4.340 -0.004 0.000 0.259 336 Q C -1.369 174.634 176.000 0.006 0.000 0.951 336 Q CA -0.278 55.641 55.803 0.193 0.000 0.909 336 Q CB 1.362 30.324 28.738 0.373 0.000 1.236 336 Q HN 0.565 nan 8.270 nan 0.000 0.444 337 L N 3.768 125.034 121.223 0.071 0.000 2.260 337 L HA 0.408 4.746 4.340 -0.004 0.000 0.289 337 L C 0.035 176.938 176.870 0.056 0.000 1.057 337 L CA -0.754 54.120 54.840 0.057 0.000 0.811 337 L CB 0.721 42.862 42.059 0.138 0.000 1.184 337 L HN 0.570 nan 8.230 nan 0.000 0.429 338 N N 4.034 122.691 118.700 -0.072 0.000 2.508 338 N HA 0.094 4.831 4.740 -0.004 0.000 0.253 338 N C -0.260 175.271 175.510 0.034 0.000 1.145 338 N CA 0.494 53.548 53.050 0.007 0.000 0.973 338 N CB -0.076 38.327 38.487 -0.140 0.000 1.305 338 N HN 0.609 nan 8.380 nan 0.000 0.506 339 D N -0.270 120.251 120.400 0.202 0.000 4.199 339 D HA -0.217 4.421 4.640 -0.004 0.000 0.291 339 D C 0.399 176.809 176.300 0.185 0.000 2.213 339 D CA 1.536 55.630 54.000 0.156 0.000 1.174 339 D CB -0.571 40.018 40.800 -0.353 0.000 1.012 339 D HN 0.483 nan 8.370 nan 0.000 1.213 340 T N -2.577 112.033 114.554 0.094 0.000 3.129 340 T HA 0.111 4.459 4.350 -0.004 0.000 0.251 340 T C 1.642 176.445 174.700 0.171 0.000 1.117 340 T CA 1.447 63.591 62.100 0.073 0.000 1.034 340 T CB -0.509 68.369 68.868 0.016 0.000 0.968 340 T HN 0.519 nan 8.240 nan 0.000 0.526 341 H N 2.600 121.762 119.070 0.152 0.000 2.390 341 H HA -0.021 4.532 4.556 -0.004 0.000 0.298 341 H C -0.749 174.669 175.328 0.151 0.000 1.106 341 H CA 1.118 57.269 56.048 0.172 0.000 1.297 341 H CB -0.730 29.134 29.762 0.170 0.000 1.375 341 H HN 0.447 nan 8.280 nan 0.000 0.509 342 P HA 0.088 nan 4.420 nan 0.000 0.266 342 P C 0.762 178.111 177.300 0.081 0.000 1.561 342 P CA 0.385 63.570 63.100 0.141 0.000 1.089 342 P CB 0.473 32.246 31.700 0.122 0.000 1.534 343 S N 0.023 115.766 115.700 0.071 0.000 2.440 343 S HA -0.134 4.333 4.470 -0.004 0.000 0.238 343 S C 1.790 176.394 174.600 0.007 0.000 1.010 343 S CA 0.804 59.005 58.200 0.003 0.000 0.972 343 S CB -1.487 61.692 63.200 -0.035 0.000 0.774 343 S HN 0.155 nan 8.310 nan 0.000 0.501 344 L N 0.926 122.168 121.223 0.031 0.000 2.549 344 L HA 0.049 4.387 4.340 -0.004 0.000 0.229 344 L C 2.889 179.796 176.870 0.061 0.000 1.158 344 L CA 0.582 55.444 54.840 0.036 0.000 0.842 344 L CB -0.742 41.339 42.059 0.038 0.000 0.952 344 L HN 0.470 nan 8.230 nan 0.000 0.452 345 A N 0.545 123.381 122.820 0.027 0.000 1.972 345 A HA -0.181 4.136 4.320 -0.004 0.000 0.219 345 A C 2.189 179.772 177.584 -0.003 0.000 1.169 345 A CA 1.399 53.437 52.037 0.001 0.000 0.635 345 A CB -0.423 18.570 19.000 -0.012 0.000 0.810 345 A HN 0.368 nan 8.150 nan 0.000 0.446 346 I N 0.281 120.851 120.570 -0.000 0.000 2.113 346 I HA -0.145 4.023 4.170 -0.004 0.000 0.238 346 I C -0.347 175.784 176.117 0.023 0.000 1.070 346 I CA 1.544 62.840 61.300 -0.006 0.000 1.332 346 I CB -0.958 37.041 38.000 -0.002 0.000 1.044 346 I HN 0.256 nan 8.210 nan 0.000 0.402 347 P HA -0.152 nan 4.420 nan 0.000 0.225 347 P C 1.237 178.546 177.300 0.015 0.000 1.156 347 P CA 1.408 64.535 63.100 0.045 0.000 0.787 347 P CB 0.069 31.815 31.700 0.077 0.000 0.802 348 E N 0.399 120.675 120.200 0.127 0.000 2.072 348 E HA -0.142 4.206 4.350 -0.004 0.000 0.190 348 E C 1.940 178.518 176.600 -0.037 0.000 0.982 348 E CA 0.628 57.117 56.400 0.149 0.000 0.803 348 E CB -1.198 28.643 29.700 0.237 0.000 0.755 348 E HN -0.014 nan 8.360 nan 0.000 0.453 349 L N 0.026 121.199 121.223 -0.082 0.000 2.046 349 L HA -0.105 4.232 4.340 -0.004 0.000 0.208 349 L C 2.100 178.824 176.870 -0.243 0.000 1.077 349 L CA 1.785 56.518 54.840 -0.178 0.000 0.747 349 L CB -0.564 41.393 42.059 -0.169 0.000 0.896 349 L HN 0.240 nan 8.230 nan 0.000 0.432 350 M N -0.809 118.663 119.600 -0.213 0.000 2.117 350 M HA -0.216 4.262 4.480 -0.004 0.000 0.262 350 M C 2.434 178.562 176.300 -0.287 0.000 1.065 350 M CA 1.544 56.664 55.300 -0.299 0.000 1.114 350 M CB -1.194 31.213 32.600 -0.321 0.000 1.361 350 M HN 0.348 nan 8.290 nan 0.000 0.408 351 R N 0.020 120.376 120.500 -0.240 0.000 2.073 351 R HA -0.124 4.214 4.340 -0.004 0.000 0.234 351 R C 2.064 178.255 176.300 -0.181 0.000 1.134 351 R CA 1.597 57.559 56.100 -0.230 0.000 0.952 351 R CB -0.157 29.953 30.300 -0.318 0.000 0.850 351 R HN 0.202 nan 8.270 nan 0.000 0.433 352 V N 1.474 121.279 119.914 -0.182 0.000 2.343 352 V HA -0.247 3.870 4.120 -0.004 0.000 0.247 352 V C 2.392 178.326 176.094 -0.266 0.000 1.051 352 V CA 1.685 63.873 62.300 -0.186 0.000 1.036 352 V CB -0.389 31.316 31.823 -0.197 0.000 0.654 352 V HN 0.346 nan 8.190 nan 0.000 0.451 353 L N -0.689 120.313 121.223 -0.369 0.000 2.056 353 L HA -0.114 4.224 4.340 -0.004 0.000 0.207 353 L C 2.377 179.080 176.870 -0.279 0.000 1.078 353 L CA 1.055 55.623 54.840 -0.453 0.000 0.749 353 L CB -0.578 41.160 42.059 -0.536 0.000 0.901 353 L HN 0.209 nan 8.230 nan 0.000 0.433 354 V N -0.629 119.155 119.914 -0.218 0.000 2.331 354 V HA -0.165 3.953 4.120 -0.004 0.000 0.242 354 V C 1.946 178.003 176.094 -0.061 0.000 1.034 354 V CA 1.598 63.829 62.300 -0.114 0.000 1.027 354 V CB -0.306 31.470 31.823 -0.078 0.000 0.667 354 V HN 0.329 nan 8.190 nan 0.000 0.457 355 D N 0.012 120.369 120.400 -0.072 0.000 2.162 355 D HA -0.006 4.631 4.640 -0.004 0.000 0.203 355 D C 2.032 178.311 176.300 -0.035 0.000 0.967 355 D CA 1.180 55.156 54.000 -0.039 0.000 0.840 355 D CB 0.065 40.838 40.800 -0.045 0.000 0.972 355 D HN 0.320 nan 8.370 nan 0.000 0.482 356 L N 0.157 121.344 121.223 -0.060 0.000 2.286 356 L HA 0.118 4.455 4.340 -0.004 0.000 0.203 356 L C 1.763 178.613 176.870 -0.032 0.000 1.068 356 L CA 0.512 55.328 54.840 -0.039 0.000 0.811 356 L CB 0.049 42.084 42.059 -0.040 0.000 0.989 356 L HN -0.181 nan 8.230 nan 0.000 0.467 357 E N 0.327 120.480 120.200 -0.078 0.000 2.474 357 E HA 0.019 4.367 4.350 -0.004 0.000 0.194 357 E C -0.035 176.555 176.600 -0.016 0.000 1.041 357 E CA -0.044 56.332 56.400 -0.040 0.000 0.874 357 E CB 0.290 29.892 29.700 -0.163 0.000 0.914 357 E HN 0.140 nan 8.360 nan 0.000 0.498 358 R N -0.208 120.271 120.500 -0.034 0.000 3.422 358 R HA -0.186 4.152 4.340 -0.004 0.000 0.267 358 R C -0.445 175.854 176.300 -0.001 0.000 1.074 358 R CA 0.215 56.311 56.100 -0.006 0.000 0.718 358 R CB -3.163 27.149 30.300 0.019 0.000 1.157 358 R HN 0.071 nan 8.270 nan 0.000 0.440 359 L N 1.675 122.874 121.223 -0.041 0.000 2.399 359 L HA 0.251 4.588 4.340 -0.004 0.000 0.266 359 L C 1.378 178.250 176.870 0.003 0.000 1.114 359 L CA -0.131 54.695 54.840 -0.025 0.000 0.804 359 L CB 0.529 42.535 42.059 -0.089 0.000 1.146 359 L HN 0.208 nan 8.230 nan 0.000 0.451 360 D N 0.664 121.088 120.400 0.039 0.000 2.362 360 D HA -0.137 4.501 4.640 -0.004 0.000 0.242 360 D C 0.960 177.329 176.300 0.115 0.000 1.132 360 D CA -0.490 53.564 54.000 0.091 0.000 0.907 360 D CB 0.767 41.625 40.800 0.096 0.000 1.195 360 D HN 0.605 nan 8.370 nan 0.000 0.429 361 W N 2.468 123.772 121.300 0.006 0.000 2.301 361 W HA -0.266 4.392 4.660 -0.004 0.000 0.325 361 W C 1.111 177.672 176.519 0.071 0.000 1.250 361 W CA 2.115 59.468 57.345 0.014 0.000 1.261 361 W CB -0.407 29.038 29.460 -0.023 0.000 1.157 361 W HN 0.474 nan 8.180 nan 0.000 0.473 362 D N 0.252 120.866 120.400 0.356 0.000 2.133 362 D HA -0.220 4.418 4.640 -0.004 0.000 0.195 362 D C 2.039 178.444 176.300 0.174 0.000 0.997 362 D CA 1.638 55.813 54.000 0.291 0.000 0.840 362 D CB -0.571 40.368 40.800 0.232 0.000 0.947 362 D HN 0.053 nan 8.370 nan 0.000 0.452 363 K N 0.918 121.379 120.400 0.102 0.000 2.025 363 K HA -0.002 4.315 4.320 -0.004 0.000 0.207 363 K C 1.964 178.559 176.600 -0.008 0.000 1.049 363 K CA 1.137 57.456 56.287 0.054 0.000 0.933 363 K CB -0.495 32.032 32.500 0.045 0.000 0.714 363 K HN 0.064 nan 8.250 nan 0.000 0.438 364 A N 0.656 123.428 122.820 -0.080 0.000 1.933 364 A HA -0.188 4.129 4.320 -0.004 0.000 0.218 364 A C 2.188 179.681 177.584 -0.152 0.000 1.175 364 A CA 1.350 53.270 52.037 -0.195 0.000 0.628 364 A CB -1.020 17.794 19.000 -0.311 0.000 0.814 364 A HN 0.658 nan 8.150 nan 0.000 0.444 365 W N 0.592 121.684 121.300 -0.348 0.000 2.381 365 W HA -0.155 4.503 4.660 -0.004 0.000 0.301 365 W C 1.973 178.433 176.519 -0.099 0.000 1.205 365 W CA 1.721 58.911 57.345 -0.258 0.000 1.285 365 W CB -0.091 29.263 29.460 -0.176 0.000 1.133 365 W HN 0.591 nan 8.180 nan 0.000 0.521 366 E N 0.111 120.312 120.200 0.001 0.000 2.085 366 E HA -0.226 4.121 4.350 -0.004 0.000 0.194 366 E C 2.054 178.579 176.600 -0.125 0.000 0.994 366 E CA 1.852 58.211 56.400 -0.068 0.000 0.801 366 E CB -0.281 29.436 29.700 0.027 0.000 0.743 366 E HN 0.061 nan 8.360 nan 0.000 0.453 367 V N 0.673 120.530 119.914 -0.095 0.000 2.295 367 V HA -0.262 3.856 4.120 -0.004 0.000 0.246 367 V C 2.397 178.430 176.094 -0.101 0.000 1.049 367 V CA 2.202 64.465 62.300 -0.063 0.000 1.024 367 V CB -0.761 31.017 31.823 -0.075 0.000 0.648 367 V HN 0.380 nan 8.190 nan 0.000 0.447 368 T N 0.028 114.454 114.554 -0.214 0.000 2.684 368 T HA -0.189 4.159 4.350 -0.004 0.000 0.267 368 T C 1.940 176.465 174.700 -0.292 0.000 1.036 368 T CA 1.795 63.744 62.100 -0.252 0.000 1.148 368 T CB -0.311 68.355 68.868 -0.337 0.000 0.863 368 T HN 0.276 nan 8.240 nan 0.000 0.436 369 V N 1.494 121.116 119.914 -0.486 0.000 2.343 369 V HA -0.182 3.936 4.120 -0.004 0.000 0.247 369 V C 2.322 178.363 176.094 -0.087 0.000 1.051 369 V CA 1.658 63.723 62.300 -0.392 0.000 1.036 369 V CB -0.500 31.011 31.823 -0.520 0.000 0.654 369 V HN 0.492 nan 8.190 nan 0.000 0.451 370 K N -0.503 119.834 120.400 -0.105 0.000 2.365 370 K HA -0.069 4.249 4.320 -0.004 0.000 0.199 370 K C 2.025 178.601 176.600 -0.038 0.000 1.045 370 K CA 1.427 57.642 56.287 -0.120 0.000 0.962 370 K CB -0.182 32.244 32.500 -0.123 0.000 0.759 370 K HN 0.468 nan 8.250 nan 0.000 0.469 371 T N 0.226 114.809 114.554 0.048 0.000 3.010 371 T HA 0.030 4.378 4.350 -0.004 0.000 0.252 371 T C 0.921 175.723 174.700 0.169 0.000 1.047 371 T CA 0.332 62.493 62.100 0.102 0.000 1.140 371 T CB 0.112 69.073 68.868 0.154 0.000 0.885 371 T HN 0.173 nan 8.240 nan 0.000 0.464 372 C N 2.397 121.779 119.300 0.137 0.000 2.405 372 C HA 0.881 5.339 4.460 -0.004 0.000 0.365 372 C C 0.589 175.633 174.990 0.090 0.000 1.233 372 C CA -1.308 57.775 59.018 0.109 0.000 2.230 372 C CB 0.112 27.859 27.740 0.011 0.000 2.443 372 C HN 0.580 nan 8.230 nan 0.000 0.556 373 A N 1.939 124.807 122.820 0.080 0.000 2.449 373 A HA 0.746 5.064 4.320 -0.004 0.000 0.302 373 A C -1.491 176.163 177.584 0.116 0.000 1.048 373 A CA -0.410 51.618 52.037 -0.013 0.000 0.708 373 A CB 0.993 20.018 19.000 0.043 0.000 1.274 373 A HN 0.948 nan 8.150 nan 0.000 0.410 374 Y N 1.257 121.503 120.300 -0.091 0.000 2.376 374 Y HA 0.633 5.180 4.550 -0.004 0.000 0.340 374 Y C -0.487 175.395 175.900 -0.031 0.000 0.965 374 Y CA -0.314 57.750 58.100 -0.060 0.000 1.078 374 Y CB 2.005 40.389 38.460 -0.128 0.000 1.193 374 Y HN 0.562 nan 8.280 nan 0.000 0.452 375 T N 6.602 120.949 114.554 -0.345 0.000 2.770 375 T HA 0.180 4.528 4.350 -0.004 0.000 0.283 375 T C -0.795 173.430 174.700 -0.791 0.000 0.988 375 T CA -0.792 61.033 62.100 -0.457 0.000 0.957 375 T CB 0.400 69.235 68.868 -0.054 0.000 0.930 375 T HN 0.643 nan 8.240 nan 0.000 0.443 376 N N 1.873 120.096 118.700 -0.795 0.000 2.479 376 N HA 0.128 4.866 4.740 -0.004 0.000 0.285 376 N C -0.038 175.341 175.510 -0.217 0.000 1.075 376 N CA -0.311 52.508 53.050 -0.386 0.000 0.967 376 N CB 0.771 39.213 38.487 -0.074 0.000 1.137 376 N HN 0.671 nan 8.380 nan 0.000 0.472 377 H N 1.147 120.248 119.070 0.052 0.000 2.674 377 H HA 0.193 4.747 4.556 -0.004 0.000 0.274 377 H C -0.259 174.996 175.328 -0.121 0.000 1.121 377 H CA -0.098 55.930 56.048 -0.034 0.000 1.132 377 H CB 1.027 30.768 29.762 -0.034 0.000 1.606 377 H HN 0.535 nan 8.280 nan 0.000 0.558 378 T N 0.141 114.737 114.554 0.070 0.000 2.831 378 T HA 0.191 4.538 4.350 -0.004 0.000 0.333 378 T C 0.192 174.932 174.700 0.067 0.000 1.684 378 T CA -0.287 61.806 62.100 -0.011 0.000 1.049 378 T CB 1.116 69.968 68.868 -0.025 0.000 1.518 378 T HN -0.035 nan 8.240 nan 0.000 0.491 379 V N 0.876 120.786 119.914 -0.006 0.000 3.477 379 V HA 0.586 4.704 4.120 -0.004 0.000 0.297 379 V C 0.745 176.809 176.094 -0.050 0.000 1.433 379 V CA -0.044 62.235 62.300 -0.034 0.000 1.052 379 V CB -0.316 31.485 31.823 -0.038 0.000 0.895 379 V HN 0.757 nan 8.190 nan 0.000 0.438 380 I N 4.232 124.764 120.570 -0.063 0.000 2.581 380 I HA 0.146 4.314 4.170 -0.004 0.000 0.285 380 I C -0.397 175.728 176.117 0.013 0.000 1.129 380 I CA -1.132 60.152 61.300 -0.027 0.000 1.397 380 I CB 1.273 39.234 38.000 -0.065 0.000 1.399 380 I HN 0.140 nan 8.210 nan 0.000 0.537 381 P HA -0.235 nan 4.420 nan 0.000 0.216 381 P C 0.894 178.211 177.300 0.028 0.000 1.150 381 P CA 1.476 64.588 63.100 0.020 0.000 0.843 381 P CB -0.008 31.707 31.700 0.024 0.000 0.787 382 E N 0.060 120.308 120.200 0.079 0.000 2.516 382 E HA 0.003 4.350 4.350 -0.004 0.000 0.199 382 E C 1.534 178.146 176.600 0.020 0.000 1.069 382 E CA 0.852 57.296 56.400 0.073 0.000 0.876 382 E CB -0.623 29.219 29.700 0.235 0.000 0.843 382 E HN 0.237 nan 8.360 nan 0.000 0.530 383 A N 0.913 123.766 122.820 0.056 0.000 2.197 383 A HA 0.216 4.534 4.320 -0.004 0.000 0.210 383 A C 1.053 178.640 177.584 0.006 0.000 1.180 383 A CA -0.320 51.760 52.037 0.071 0.000 0.846 383 A CB 0.210 19.271 19.000 0.101 0.000 0.884 383 A HN 0.106 nan 8.150 nan 0.000 0.487 384 L N 1.903 123.088 121.223 -0.062 0.000 2.410 384 L HA 0.161 4.498 4.340 -0.004 0.000 0.273 384 L C 0.005 176.578 176.870 -0.495 0.000 1.152 384 L CA 0.462 55.205 54.840 -0.161 0.000 0.855 384 L CB 0.210 42.206 42.059 -0.106 0.000 1.129 384 L HN 0.410 nan 8.230 nan 0.000 0.463 385 E N 4.603 124.403 120.200 -0.666 0.000 2.223 385 E HA 0.240 4.588 4.350 -0.004 0.000 0.282 385 E C -0.449 175.556 176.600 -0.993 0.000 1.046 385 E CA -0.217 55.327 56.400 -1.427 0.000 0.857 385 E CB 0.779 29.962 29.700 -0.862 0.000 1.055 385 E HN 0.367 nan 8.360 nan 0.000 0.409 386 R N 3.822 123.625 120.500 -1.162 0.000 2.545 386 R HA 0.180 4.517 4.340 -0.004 0.000 0.289 386 R C -1.302 174.836 176.300 -0.269 0.000 1.327 386 R CA -0.578 55.252 56.100 -0.450 0.000 1.040 386 R CB 0.826 30.985 30.300 -0.235 0.000 1.176 386 R HN 0.458 nan 8.270 nan 0.000 0.518 387 W N 4.203 125.463 121.300 -0.067 0.000 2.287 387 W HA 0.275 4.932 4.660 -0.004 0.000 0.313 387 W C -1.934 174.567 176.519 -0.030 0.000 1.267 387 W CA -2.037 55.325 57.345 0.028 0.000 1.201 387 W CB 0.669 30.119 29.460 -0.016 0.000 1.196 387 W HN 0.233 nan 8.180 nan 0.000 0.536 388 P HA -0.085 nan 4.420 nan 0.000 0.265 388 P C 0.796 178.061 177.300 -0.059 0.000 1.193 388 P CA 0.188 63.290 63.100 0.002 0.000 0.765 388 P CB 0.795 32.358 31.700 -0.229 0.000 0.823 389 V N 3.606 123.539 119.914 0.031 0.000 2.392 389 V HA -0.276 3.842 4.120 -0.004 0.000 0.249 389 V C 2.260 178.376 176.094 0.037 0.000 1.059 389 V CA 2.125 64.454 62.300 0.048 0.000 1.051 389 V CB -1.545 30.363 31.823 0.142 0.000 0.658 389 V HN 0.762 nan 8.190 nan 0.000 0.455 390 H N -0.852 118.273 119.070 0.092 0.000 2.456 390 H HA -0.107 4.447 4.556 -0.004 0.000 0.296 390 H C 2.245 177.617 175.328 0.073 0.000 1.079 390 H CA 1.556 57.652 56.048 0.080 0.000 1.322 390 H CB -0.391 29.419 29.762 0.080 0.000 1.388 390 H HN 0.393 nan 8.280 nan 0.000 0.538 391 L N 0.436 121.495 121.223 -0.274 0.000 2.044 391 L HA -0.108 4.229 4.340 -0.004 0.000 0.205 391 L C 2.874 179.683 176.870 -0.101 0.000 1.075 391 L CA 0.745 55.508 54.840 -0.130 0.000 0.747 391 L CB -0.203 41.776 42.059 -0.133 0.000 0.903 391 L HN 0.187 nan 8.230 nan 0.000 0.435 392 L N -0.570 120.574 121.223 -0.132 0.000 2.083 392 L HA -0.240 4.098 4.340 -0.004 0.000 0.209 392 L C 2.461 179.260 176.870 -0.119 0.000 1.083 392 L CA 1.130 55.865 54.840 -0.176 0.000 0.752 392 L CB -0.428 41.521 42.059 -0.185 0.000 0.899 392 L HN 0.331 nan 8.230 nan 0.000 0.433 393 E N -0.292 119.882 120.200 -0.043 0.000 2.085 393 E HA -0.220 4.127 4.350 -0.004 0.000 0.194 393 E C 1.917 178.541 176.600 0.041 0.000 0.994 393 E CA 1.988 58.395 56.400 0.012 0.000 0.801 393 E CB 0.137 29.886 29.700 0.082 0.000 0.743 393 E HN 0.379 nan 8.360 nan 0.000 0.453 394 T N 0.381 114.978 114.554 0.072 0.000 2.937 394 T HA -0.038 4.309 4.350 -0.004 0.000 0.260 394 T C 1.633 176.412 174.700 0.132 0.000 1.051 394 T CA 0.597 62.782 62.100 0.143 0.000 1.141 394 T CB -0.045 68.941 68.868 0.196 0.000 0.879 394 T HN 0.069 nan 8.240 nan 0.000 0.459 395 L N 0.112 121.319 121.223 -0.027 0.000 2.162 395 L HA 0.374 4.712 4.340 -0.004 0.000 0.205 395 L C 0.319 177.101 176.870 -0.147 0.000 1.086 395 L CA 1.537 56.248 54.840 -0.215 0.000 0.778 395 L CB 0.101 42.007 42.059 -0.256 0.000 0.928 395 L HN 0.154 nan 8.230 nan 0.000 0.446 396 L N 0.858 121.962 121.223 -0.197 0.000 2.551 396 L HA 0.296 4.633 4.340 -0.004 0.000 0.248 396 L C -1.671 175.013 176.870 -0.309 0.000 1.509 396 L CA -0.950 53.691 54.840 -0.331 0.000 0.842 396 L CB 0.921 42.617 42.059 -0.605 0.000 1.087 396 L HN -0.066 nan 8.230 nan 0.000 0.512 397 P HA -0.232 nan 4.420 nan 0.000 0.216 397 P C 1.468 178.576 177.300 -0.320 0.000 1.150 397 P CA 1.324 64.302 63.100 -0.203 0.000 0.843 397 P CB 0.371 32.022 31.700 -0.081 0.000 0.787 398 R N -0.320 119.808 120.500 -0.620 0.000 2.075 398 R HA -0.144 4.193 4.340 -0.004 0.000 0.232 398 R C 2.362 178.362 176.300 -0.500 0.000 1.126 398 R CA 1.567 57.306 56.100 -0.602 0.000 0.963 398 R CB -1.373 28.383 30.300 -0.907 0.000 0.858 398 R HN 0.214 nan 8.270 nan 0.000 0.435 399 H N -0.122 118.627 119.070 -0.535 0.000 2.387 399 H HA -0.056 4.497 4.556 -0.004 0.000 0.299 399 H C 1.785 176.935 175.328 -0.296 0.000 1.090 399 H CA 1.627 57.449 56.048 -0.377 0.000 1.332 399 H CB -0.103 29.401 29.762 -0.431 0.000 1.386 399 H HN 0.104 nan 8.280 nan 0.000 0.516 400 L N 0.555 121.652 121.223 -0.209 0.000 2.046 400 L HA -0.241 4.097 4.340 -0.004 0.000 0.208 400 L C 1.772 178.454 176.870 -0.313 0.000 1.077 400 L CA 1.623 56.278 54.840 -0.309 0.000 0.747 400 L CB -0.284 41.615 42.059 -0.267 0.000 0.896 400 L HN 0.458 nan 8.230 nan 0.000 0.432 401 Q N -0.326 119.395 119.800 -0.131 0.000 2.084 401 Q HA -0.219 4.118 4.340 -0.004 0.000 0.202 401 Q C 2.170 178.186 176.000 0.026 0.000 0.978 401 Q CA 1.527 57.343 55.803 0.022 0.000 0.844 401 Q CB -0.071 28.684 28.738 0.028 0.000 0.898 401 Q HN 0.555 nan 8.270 nan 0.000 0.426 402 I N 0.506 121.067 120.570 -0.015 0.000 2.315 402 I HA -0.263 3.905 4.170 -0.004 0.000 0.248 402 I C 2.144 178.328 176.117 0.112 0.000 1.117 402 I CA 1.014 62.383 61.300 0.115 0.000 1.404 402 I CB -0.131 37.886 38.000 0.029 0.000 1.071 402 I HN 0.199 nan 8.210 nan 0.000 0.419 403 I N -0.517 120.036 120.570 -0.027 0.000 2.252 403 I HA -0.303 3.864 4.170 -0.004 0.000 0.245 403 I C 2.385 178.507 176.117 0.008 0.000 1.102 403 I CA 1.372 62.644 61.300 -0.047 0.000 1.385 403 I CB -0.369 37.530 38.000 -0.168 0.000 1.064 403 I HN 0.153 nan 8.210 nan 0.000 0.414 404 Y N 0.928 121.230 120.300 0.004 0.000 2.181 404 Y HA -0.271 4.277 4.550 -0.004 0.000 0.288 404 Y C 2.595 178.460 175.900 -0.059 0.000 1.146 404 Y CA 1.545 59.635 58.100 -0.017 0.000 1.164 404 Y CB -0.756 37.687 38.460 -0.029 0.000 0.982 404 Y HN 0.202 nan 8.280 nan 0.000 0.515 405 E N 0.397 120.633 120.200 0.060 0.000 2.106 405 E HA -0.143 4.205 4.350 -0.004 0.000 0.192 405 E C 2.033 178.538 176.600 -0.160 0.000 0.984 405 E CA 1.286 57.579 56.400 -0.179 0.000 0.806 405 E CB -0.528 28.894 29.700 -0.463 0.000 0.750 405 E HN 0.478 nan 8.360 nan 0.000 0.458 406 I N 0.613 121.189 120.570 0.010 0.000 2.179 406 I HA -0.268 3.900 4.170 -0.004 0.000 0.242 406 I C 2.278 178.402 176.117 0.010 0.000 1.088 406 I CA 1.341 62.613 61.300 -0.047 0.000 1.357 406 I CB -0.402 37.588 38.000 -0.018 0.000 1.051 406 I HN 0.220 nan 8.210 nan 0.000 0.409 407 N N 0.814 119.567 118.700 0.088 0.000 2.084 407 N HA -0.270 4.468 4.740 -0.004 0.000 0.190 407 N C 1.865 177.464 175.510 0.150 0.000 1.030 407 N CA 1.591 54.746 53.050 0.176 0.000 0.849 407 N CB -0.147 38.458 38.487 0.197 0.000 1.012 407 N HN 0.280 nan 8.380 nan 0.000 0.423 408 Q N -0.002 119.830 119.800 0.054 0.000 2.045 408 Q HA -0.143 4.194 4.340 -0.004 0.000 0.206 408 Q C 2.018 178.003 176.000 -0.025 0.000 0.991 408 Q CA 1.686 57.483 55.803 -0.011 0.000 0.851 408 Q CB -0.014 28.674 28.738 -0.084 0.000 0.911 408 Q HN 0.390 nan 8.270 nan 0.000 0.418 409 R N -0.819 119.643 120.500 -0.064 0.000 2.115 409 R HA -0.117 4.220 4.340 -0.004 0.000 0.230 409 R C 2.153 178.484 176.300 0.053 0.000 1.111 409 R CA 1.137 57.200 56.100 -0.063 0.000 0.976 409 R CB -0.320 29.883 30.300 -0.161 0.000 0.870 409 R HN 0.286 nan 8.270 nan 0.000 0.445 410 F N 1.523 121.455 119.950 -0.030 0.000 2.113 410 F HA -0.059 4.466 4.527 -0.004 0.000 0.297 410 F C 1.845 177.673 175.800 0.047 0.000 1.103 410 F CA 1.228 59.259 58.000 0.051 0.000 1.248 410 F CB -0.219 38.844 39.000 0.106 0.000 0.999 410 F HN -0.139 nan 8.300 nan 0.000 0.475 411 L N 0.072 121.304 121.223 0.015 0.000 2.191 411 L HA -0.229 4.109 4.340 -0.004 0.000 0.212 411 L C 1.914 178.718 176.870 -0.110 0.000 1.103 411 L CA 1.448 56.233 54.840 -0.091 0.000 0.769 411 L CB -0.836 41.235 42.059 0.021 0.000 0.908 411 L HN 0.271 nan 8.230 nan 0.000 0.438 412 N N -0.343 118.311 118.700 -0.077 0.000 2.270 412 N HA -0.136 4.602 4.740 -0.004 0.000 0.181 412 N C 1.935 177.392 175.510 -0.088 0.000 1.016 412 N CA 0.456 53.464 53.050 -0.070 0.000 0.870 412 N CB 0.064 38.517 38.487 -0.057 0.000 0.979 412 N HN 0.233 nan 8.380 nan 0.000 0.431 413 R N 0.624 121.053 120.500 -0.118 0.000 2.092 413 R HA -0.017 4.321 4.340 -0.004 0.000 0.231 413 R C 2.056 178.255 176.300 -0.168 0.000 1.119 413 R CA 0.717 56.744 56.100 -0.122 0.000 0.970 413 R CB -0.041 30.199 30.300 -0.100 0.000 0.864 413 R HN 0.033 nan 8.270 nan 0.000 0.440 414 V N 0.472 120.233 119.914 -0.256 0.000 2.307 414 V HA -0.199 3.918 4.120 -0.004 0.000 0.245 414 V C 2.307 178.389 176.094 -0.021 0.000 1.045 414 V CA 1.921 64.129 62.300 -0.153 0.000 1.024 414 V CB -0.610 31.054 31.823 -0.264 0.000 0.651 414 V HN 0.442 nan 8.190 nan 0.000 0.449 415 A N -0.045 122.740 122.820 -0.058 0.000 1.972 415 A HA -0.089 4.229 4.320 -0.004 0.000 0.219 415 A C 2.348 179.909 177.584 -0.039 0.000 1.169 415 A CA 2.003 54.025 52.037 -0.026 0.000 0.635 415 A CB -0.604 18.373 19.000 -0.038 0.000 0.810 415 A HN 0.572 nan 8.150 nan 0.000 0.446 416 A N -0.661 122.116 122.820 -0.072 0.000 1.970 416 A HA 0.347 4.664 4.320 -0.004 0.000 0.216 416 A C 2.323 179.819 177.584 -0.146 0.000 1.170 416 A CA 1.574 53.558 52.037 -0.088 0.000 0.645 416 A CB -0.583 18.370 19.000 -0.080 0.000 0.816 416 A HN 0.933 nan 8.150 nan 0.000 0.447 417 A N -1.760 120.928 122.820 -0.221 0.000 2.030 417 A HA 0.420 4.737 4.320 -0.004 0.000 0.215 417 A C 0.373 177.513 177.584 -0.740 0.000 1.164 417 A CA 0.453 52.194 52.037 -0.494 0.000 0.697 417 A CB -0.096 18.532 19.000 -0.620 0.000 0.827 417 A HN 0.395 nan 8.150 nan 0.000 0.457 418 F N -0.099 119.804 119.950 -0.079 0.000 2.584 418 F HA 0.341 4.865 4.527 -0.004 0.000 0.328 418 F C -2.785 172.977 175.800 -0.062 0.000 1.407 418 F CA -2.897 55.061 58.000 -0.070 0.000 1.145 418 F CB 0.688 39.638 39.000 -0.084 0.000 1.440 418 F HN -0.078 nan 8.300 nan 0.000 0.580 419 P HA 0.146 nan 4.420 nan 0.000 0.261 419 P C 1.013 178.333 177.300 0.033 0.000 1.183 419 P CA 1.284 64.396 63.100 0.020 0.000 0.761 419 P CB 0.654 32.349 31.700 -0.010 0.000 0.785 420 G N 2.816 111.628 108.800 0.020 0.000 2.234 420 G HA2 -0.250 3.707 3.960 -0.004 0.000 0.260 420 G HA3 -0.250 3.707 3.960 -0.004 0.000 0.260 420 G C 0.353 175.261 174.900 0.014 0.000 0.987 420 G CA 0.007 45.115 45.100 0.013 0.000 0.625 420 G HN 0.594 nan 8.290 nan 0.000 0.532 421 D N 1.478 121.895 120.400 0.028 0.000 2.508 421 D HA 0.383 5.020 4.640 -0.004 0.000 0.224 421 D C 2.091 178.381 176.300 -0.017 0.000 1.171 421 D CA 0.425 54.426 54.000 0.002 0.000 1.006 421 D CB 0.446 41.244 40.800 -0.004 0.000 1.073 421 D HN 0.602 nan 8.370 nan 0.000 0.513 422 V N 0.800 120.705 119.914 -0.014 0.000 2.515 422 V HA -0.131 3.987 4.120 -0.004 0.000 0.250 422 V C 1.755 177.838 176.094 -0.019 0.000 1.058 422 V CA 1.488 63.780 62.300 -0.014 0.000 1.064 422 V CB -0.421 31.397 31.823 -0.008 0.000 0.675 422 V HN 0.229 nan 8.190 nan 0.000 0.461 423 D N 0.225 120.610 120.400 -0.026 0.000 2.183 423 D HA -0.123 4.514 4.640 -0.004 0.000 0.203 423 D C 2.327 178.601 176.300 -0.043 0.000 0.969 423 D CA 1.012 54.997 54.000 -0.024 0.000 0.842 423 D CB -0.173 40.612 40.800 -0.024 0.000 0.957 423 D HN 0.395 nan 8.370 nan 0.000 0.484 424 R N -0.234 120.217 120.500 -0.081 0.000 2.081 424 R HA -0.067 4.270 4.340 -0.004 0.000 0.235 424 R C 2.233 178.468 176.300 -0.108 0.000 1.131 424 R CA 0.811 56.826 56.100 -0.141 0.000 0.960 424 R CB -0.181 29.981 30.300 -0.230 0.000 0.856 424 R HN 0.263 nan 8.270 nan 0.000 0.436 425 L N 0.493 121.678 121.223 -0.065 0.000 2.017 425 L HA -0.209 4.128 4.340 -0.004 0.000 0.208 425 L C 2.609 179.487 176.870 0.013 0.000 1.073 425 L CA 1.772 56.592 54.840 -0.033 0.000 0.745 425 L CB -0.463 41.586 42.059 -0.018 0.000 0.894 425 L HN 0.260 nan 8.230 nan 0.000 0.432 426 R N 0.083 120.596 120.500 0.021 0.000 2.115 426 R HA -0.091 4.246 4.340 -0.004 0.000 0.226 426 R C 2.111 178.466 176.300 0.091 0.000 1.100 426 R CA 0.979 57.113 56.100 0.058 0.000 0.980 426 R CB -0.572 29.755 30.300 0.044 0.000 0.875 426 R HN 0.193 nan 8.270 nan 0.000 0.445 427 R N 0.145 120.681 120.500 0.060 0.000 2.090 427 R HA 0.117 4.454 4.340 -0.004 0.000 0.228 427 R C 1.989 178.384 176.300 0.158 0.000 1.110 427 R CA 1.738 57.899 56.100 0.101 0.000 0.973 427 R CB -0.197 30.121 30.300 0.031 0.000 0.869 427 R HN 0.331 nan 8.270 nan 0.000 0.440 428 M N 0.172 119.794 119.600 0.036 0.000 2.509 428 M HA 0.045 4.522 4.480 -0.004 0.000 0.250 428 M C 0.873 177.363 176.300 0.316 0.000 1.132 428 M CA 0.002 55.298 55.300 -0.008 0.000 1.080 428 M CB 0.432 32.860 32.600 -0.286 0.000 1.408 428 M HN -0.084 nan 8.290 nan 0.000 0.484 429 S N 1.016 116.892 115.700 0.293 0.000 2.558 429 S HA 0.059 4.527 4.470 -0.004 0.000 0.288 429 S C 1.089 175.942 174.600 0.422 0.000 1.318 429 S CA -0.211 58.182 58.200 0.321 0.000 1.056 429 S CB 0.593 63.922 63.200 0.214 0.000 0.853 429 S HN 0.377 nan 8.310 nan 0.000 0.505 430 L N 3.929 125.353 121.223 0.335 0.000 2.313 430 L HA 0.127 4.465 4.340 -0.004 0.000 0.214 430 L C 0.218 177.192 176.870 0.173 0.000 1.119 430 L CA 0.230 55.222 54.840 0.254 0.000 0.809 430 L CB -0.237 41.917 42.059 0.158 0.000 0.933 430 L HN 0.403 nan 8.230 nan 0.000 0.449 431 V N 0.783 120.815 119.914 0.196 0.000 2.383 431 V HA 0.153 4.271 4.120 -0.004 0.000 0.275 431 V C 0.094 176.277 176.094 0.148 0.000 1.036 431 V CA -0.539 61.865 62.300 0.175 0.000 0.889 431 V CB 1.495 33.456 31.823 0.232 0.000 0.985 431 V HN 0.156 nan 8.190 nan 0.000 0.459 432 E N 3.341 123.607 120.200 0.111 0.000 2.146 432 E HA 0.377 4.724 4.350 -0.004 0.000 0.282 432 E C -0.532 176.122 176.600 0.089 0.000 0.989 432 E CA -0.546 55.909 56.400 0.092 0.000 0.799 432 E CB 1.096 30.828 29.700 0.054 0.000 1.088 432 E HN 0.705 nan 8.360 nan 0.000 0.397 433 E N 1.972 122.221 120.200 0.083 0.000 2.318 433 E HA 0.683 5.031 4.350 -0.004 0.000 0.265 433 E C -0.027 176.610 176.600 0.062 0.000 1.069 433 E CA 0.547 56.990 56.400 0.072 0.000 0.893 433 E CB 1.624 31.361 29.700 0.061 0.000 1.076 433 E HN 0.695 nan 8.360 nan 0.000 0.414 434 G N -0.013 108.821 108.800 0.058 0.000 2.356 434 G HA2 0.265 4.222 3.960 -0.004 0.000 0.266 434 G HA3 0.265 4.222 3.960 -0.004 0.000 0.266 434 G C 0.368 175.298 174.900 0.051 0.000 1.312 434 G CA 0.183 45.313 45.100 0.050 0.000 0.922 434 G HN 0.584 nan 8.290 nan 0.000 0.480 435 A N -1.098 121.750 122.820 0.047 0.000 1.884 435 A HA 0.319 4.637 4.320 -0.004 0.000 0.219 435 A C 1.546 179.166 177.584 0.060 0.000 1.197 435 A CA 3.127 55.192 52.037 0.045 0.000 0.637 435 A CB -0.728 18.297 19.000 0.042 0.000 0.827 435 A HN 2.142 nan 8.150 nan 0.000 0.450 436 V N -0.223 119.738 119.914 0.078 0.000 2.656 436 V HA 0.433 4.551 4.120 -0.004 0.000 0.307 436 V C -0.576 175.589 176.094 0.118 0.000 1.051 436 V CA -1.106 61.262 62.300 0.114 0.000 0.893 436 V CB 1.702 33.618 31.823 0.155 0.000 0.999 436 V HN 0.422 nan 8.190 nan 0.000 0.426 437 K N 5.352 125.833 120.400 0.136 0.000 2.401 437 K HA 0.460 4.778 4.320 -0.004 0.000 0.278 437 K C -0.437 176.240 176.600 0.128 0.000 1.018 437 K CA -0.071 56.294 56.287 0.130 0.000 0.981 437 K CB 0.678 33.269 32.500 0.150 0.000 0.933 437 K HN 0.650 nan 8.250 nan 0.000 0.477 438 R N 2.015 122.577 120.500 0.103 0.000 2.808 438 R HA 0.464 4.801 4.340 -0.004 0.000 0.272 438 R C -0.827 175.513 176.300 0.066 0.000 0.995 438 R CA -1.012 55.137 56.100 0.082 0.000 0.917 438 R CB 1.341 31.672 30.300 0.052 0.000 1.217 438 R HN 0.358 nan 8.270 nan 0.000 0.471 439 I N 1.976 122.581 120.570 0.058 0.000 2.354 439 I HA 0.166 4.333 4.170 -0.004 0.000 0.292 439 I C -0.178 175.924 176.117 -0.024 0.000 0.989 439 I CA -0.751 60.568 61.300 0.032 0.000 1.188 439 I CB 1.242 39.258 38.000 0.027 0.000 1.342 439 I HN 0.513 nan 8.210 nan 0.000 0.457 440 N N 7.169 125.822 118.700 -0.079 0.000 2.402 440 N HA 0.089 4.826 4.740 -0.004 0.000 0.252 440 N C 0.824 176.233 175.510 -0.169 0.000 1.118 440 N CA -0.339 52.584 53.050 -0.212 0.000 0.945 440 N CB 0.960 39.168 38.487 -0.465 0.000 1.147 440 N HN 0.369 nan 8.380 nan 0.000 0.495 441 M N 2.448 121.958 119.600 -0.150 0.000 2.279 441 M HA -0.069 4.408 4.480 -0.004 0.000 0.264 441 M C 1.913 178.080 176.300 -0.222 0.000 1.062 441 M CA 0.711 55.938 55.300 -0.121 0.000 1.099 441 M CB -1.558 31.014 32.600 -0.046 0.000 1.394 441 M HN 0.602 nan 8.290 nan 0.000 0.426 442 A N -0.496 122.191 122.820 -0.221 0.000 1.930 442 A HA -0.163 4.155 4.320 -0.004 0.000 0.217 442 A C 1.983 179.349 177.584 -0.364 0.000 1.175 442 A CA 1.395 53.269 52.037 -0.272 0.000 0.627 442 A CB -1.093 17.951 19.000 0.072 0.000 0.815 442 A HN 0.599 nan 8.150 nan 0.000 0.443 443 H N -1.072 117.780 119.070 -0.363 0.000 2.389 443 H HA -0.006 4.548 4.556 -0.004 0.000 0.299 443 H C 2.110 177.202 175.328 -0.394 0.000 1.081 443 H CA 0.867 56.648 56.048 -0.445 0.000 1.345 443 H CB -0.033 29.685 29.762 -0.072 0.000 1.393 443 H HN 0.370 nan 8.280 nan 0.000 0.520 444 L N 0.398 121.530 121.223 -0.153 0.000 2.017 444 L HA -0.228 4.110 4.340 -0.004 0.000 0.208 444 L C 2.229 178.956 176.870 -0.239 0.000 1.073 444 L CA 1.315 56.066 54.840 -0.149 0.000 0.745 444 L CB -0.393 41.606 42.059 -0.100 0.000 0.894 444 L HN 0.442 nan 8.230 nan 0.000 0.432 445 C N 0.012 119.067 119.300 -0.408 0.000 2.429 445 C HA -0.168 4.290 4.460 -0.004 0.000 0.277 445 C C 2.666 177.387 174.990 -0.449 0.000 1.262 445 C CA 0.586 59.277 59.018 -0.545 0.000 1.733 445 C CB -0.753 26.265 27.740 -1.204 0.000 2.010 445 C HN 0.512 nan 8.230 nan 0.000 0.483 446 I N 1.329 121.592 120.570 -0.513 0.000 2.252 446 I HA -0.176 3.992 4.170 -0.004 0.000 0.245 446 I C 2.753 178.717 176.117 -0.254 0.000 1.102 446 I CA 1.568 62.622 61.300 -0.410 0.000 1.385 446 I CB -0.557 37.054 38.000 -0.649 0.000 1.064 446 I HN 0.258 nan 8.210 nan 0.000 0.414 447 A N 0.632 123.268 122.820 -0.307 0.000 1.902 447 A HA -0.096 4.221 4.320 -0.004 0.000 0.217 447 A C 2.211 179.824 177.584 0.049 0.000 1.181 447 A CA 1.863 53.764 52.037 -0.226 0.000 0.623 447 A CB -1.165 17.521 19.000 -0.525 0.000 0.818 447 A HN 0.472 nan 8.150 nan 0.000 0.443 448 G N -1.139 107.635 108.800 -0.043 0.000 3.284 448 G HA2 0.417 4.375 3.960 -0.004 0.000 0.236 448 G HA3 0.417 4.375 3.960 -0.004 0.000 0.236 448 G C 0.095 174.832 174.900 -0.272 0.000 1.158 448 G CA 0.479 45.439 45.100 -0.234 0.000 0.774 448 G HN 0.342 nan 8.290 nan 0.000 0.545 449 S N -0.501 115.092 115.700 -0.178 0.000 2.542 449 S HA 0.332 4.800 4.470 -0.004 0.000 0.293 449 S C 0.677 175.223 174.600 -0.090 0.000 1.089 449 S CA -0.719 57.404 58.200 -0.130 0.000 0.961 449 S CB 1.285 64.415 63.200 -0.117 0.000 1.062 449 S HN 0.505 nan 8.310 nan 0.000 0.483 450 H N -0.161 118.871 119.070 -0.063 0.000 2.548 450 H HA 0.530 5.084 4.556 -0.004 0.000 0.265 450 H C 0.078 175.394 175.328 -0.021 0.000 0.969 450 H CA 0.201 56.238 56.048 -0.018 0.000 1.155 450 H CB 0.168 29.932 29.762 0.005 0.000 1.394 450 H HN 0.500 nan 8.280 nan 0.000 0.570 451 A N 0.929 123.442 122.820 -0.512 0.000 2.488 451 A HA 0.556 4.874 4.320 -0.004 0.000 0.298 451 A C -1.480 175.900 177.584 -0.340 0.000 1.044 451 A CA -0.565 51.226 52.037 -0.409 0.000 0.693 451 A CB 2.211 20.930 19.000 -0.470 0.000 1.272 451 A HN 0.096 nan 8.150 nan 0.000 0.402 452 V N 4.210 123.889 119.914 -0.392 0.000 2.577 452 V HA 0.537 4.654 4.120 -0.004 0.000 0.303 452 V C -0.809 175.092 176.094 -0.321 0.000 1.042 452 V CA -0.758 61.307 62.300 -0.393 0.000 0.872 452 V CB 1.820 33.256 31.823 -0.645 0.000 0.998 452 V HN 1.032 nan 8.190 nan 0.000 0.423 453 N N 3.128 121.664 118.700 -0.275 0.000 2.262 453 N HA 0.640 5.378 4.740 -0.004 0.000 0.295 453 N C -0.279 175.130 175.510 -0.168 0.000 1.161 453 N CA -0.379 52.553 53.050 -0.196 0.000 0.767 453 N CB 2.882 41.228 38.487 -0.234 0.000 1.499 453 N HN 0.630 nan 8.380 nan 0.000 0.476 454 G N -0.935 107.808 108.800 -0.094 0.000 2.531 454 G HA2 0.437 4.395 3.960 -0.004 0.000 0.313 454 G HA3 0.437 4.395 3.960 -0.004 0.000 0.313 454 G C 0.693 175.657 174.900 0.108 0.000 1.238 454 G CA -0.500 44.601 45.100 0.002 0.000 0.994 454 G HN 0.634 nan 8.290 nan 0.000 0.493 455 V N -3.713 116.379 119.914 0.297 0.000 3.427 455 V HA 0.697 4.814 4.120 -0.004 0.000 0.305 455 V C 0.536 176.709 176.094 0.131 0.000 1.412 455 V CA 0.342 62.725 62.300 0.138 0.000 1.086 455 V CB -0.731 31.129 31.823 0.061 0.000 0.964 455 V HN 1.345 nan 8.190 nan 0.000 0.439 456 A N -0.060 122.847 122.820 0.145 0.000 2.594 456 A HA 0.631 4.949 4.320 -0.004 0.000 0.296 456 A C 0.683 178.318 177.584 0.085 0.000 1.061 456 A CA -0.118 51.984 52.037 0.109 0.000 0.689 456 A CB 1.207 20.260 19.000 0.089 0.000 1.280 456 A HN 0.034 nan 8.150 nan 0.000 0.406 457 R N 0.956 121.486 120.500 0.050 0.000 2.096 457 R HA -0.166 4.171 4.340 -0.004 0.000 0.240 457 R C 1.624 177.925 176.300 0.002 0.000 1.139 457 R CA 2.308 58.416 56.100 0.013 0.000 0.952 457 R CB -0.211 30.091 30.300 0.003 0.000 0.854 457 R HN 0.826 nan 8.270 nan 0.000 0.436 458 I N 0.193 120.773 120.570 0.017 0.000 2.394 458 I HA -0.276 3.892 4.170 -0.004 0.000 0.251 458 I C 2.283 178.412 176.117 0.020 0.000 1.136 458 I CA 1.727 63.028 61.300 0.003 0.000 1.425 458 I CB -0.207 37.794 38.000 0.001 0.000 1.079 458 I HN 0.337 nan 8.210 nan 0.000 0.425 459 H N 0.324 119.366 119.070 -0.048 0.000 2.326 459 H HA -0.102 4.451 4.556 -0.004 0.000 0.301 459 H C 2.268 177.560 175.328 -0.061 0.000 1.081 459 H CA 2.161 58.175 56.048 -0.057 0.000 1.334 459 H CB -0.265 29.469 29.762 -0.046 0.000 1.385 459 H HN 0.218 nan 8.280 nan 0.000 0.504 460 S N 0.353 115.949 115.700 -0.173 0.000 2.399 460 S HA -0.121 4.346 4.470 -0.004 0.000 0.231 460 S C 1.859 176.343 174.600 -0.193 0.000 1.022 460 S CA 1.191 59.264 58.200 -0.212 0.000 0.983 460 S CB -0.065 63.081 63.200 -0.091 0.000 0.803 460 S HN 0.478 nan 8.310 nan 0.000 0.480 461 E N 1.147 121.255 120.200 -0.154 0.000 2.072 461 E HA 0.046 4.394 4.350 -0.004 0.000 0.190 461 E C 2.006 178.491 176.600 -0.191 0.000 0.982 461 E CA 0.567 56.866 56.400 -0.168 0.000 0.803 461 E CB -0.324 29.308 29.700 -0.113 0.000 0.755 461 E HN 0.505 nan 8.360 nan 0.000 0.453 462 I N 1.012 121.481 120.570 -0.168 0.000 2.286 462 I HA -0.263 3.905 4.170 -0.004 0.000 0.248 462 I C 2.359 178.342 176.117 -0.224 0.000 1.115 462 I CA 0.750 61.953 61.300 -0.162 0.000 1.392 462 I CB -0.220 37.714 38.000 -0.110 0.000 1.065 462 I HN 0.060 nan 8.210 nan 0.000 0.418 463 L N 0.388 121.437 121.223 -0.290 0.000 2.046 463 L HA -0.222 4.115 4.340 -0.004 0.000 0.208 463 L C 2.466 179.198 176.870 -0.230 0.000 1.077 463 L CA 1.569 56.237 54.840 -0.287 0.000 0.747 463 L CB -0.524 41.426 42.059 -0.181 0.000 0.896 463 L HN 0.213 nan 8.230 nan 0.000 0.432 464 K N -0.168 120.033 120.400 -0.331 0.000 2.167 464 K HA -0.091 4.226 4.320 -0.004 0.000 0.203 464 K C 2.032 178.426 176.600 -0.344 0.000 1.052 464 K CA 0.805 56.768 56.287 -0.541 0.000 0.956 464 K CB 0.097 32.039 32.500 -0.931 0.000 0.735 464 K HN 0.208 nan 8.250 nan 0.000 0.451 465 K N 0.060 120.314 120.400 -0.243 0.000 2.314 465 K HA -0.029 4.288 4.320 -0.004 0.000 0.198 465 K C 1.757 178.298 176.600 -0.099 0.000 1.045 465 K CA 1.352 57.551 56.287 -0.146 0.000 0.988 465 K CB 0.467 32.893 32.500 -0.124 0.000 0.783 465 K HN 0.271 nan 8.250 nan 0.000 0.484 466 T N -1.688 112.797 114.554 -0.115 0.000 3.216 466 T HA 0.051 4.398 4.350 -0.004 0.000 0.167 466 T C 1.580 176.235 174.700 -0.076 0.000 0.905 466 T CA -0.341 61.708 62.100 -0.085 0.000 1.042 466 T CB -0.696 68.117 68.868 -0.093 0.000 1.787 466 T HN -0.101 nan 8.240 nan 0.000 0.355 467 I N 1.351 121.819 120.570 -0.169 0.000 2.143 467 I HA -0.051 4.116 4.170 -0.004 0.000 0.245 467 I C 1.137 177.214 176.117 -0.066 0.000 1.068 467 I CA 1.683 62.832 61.300 -0.252 0.000 1.326 467 I CB -0.383 37.251 38.000 -0.609 0.000 1.028 467 I HN 0.530 nan 8.210 nan 0.000 0.412 468 F N -0.638 119.366 119.950 0.090 0.000 2.791 468 F HA 0.199 4.724 4.527 -0.004 0.000 0.308 468 F C 1.811 177.672 175.800 0.103 0.000 1.138 468 F CA -0.502 57.615 58.000 0.195 0.000 1.294 468 F CB -0.093 39.016 39.000 0.181 0.000 0.975 468 F HN -0.085 nan 8.300 nan 0.000 0.512 469 K N 1.065 121.566 120.400 0.170 0.000 2.044 469 K HA -0.217 4.100 4.320 -0.004 0.000 0.210 469 K C 1.339 177.987 176.600 0.081 0.000 1.049 469 K CA 2.227 58.559 56.287 0.075 0.000 0.927 469 K CB -0.009 32.503 32.500 0.021 0.000 0.713 469 K HN 0.176 nan 8.250 nan 0.000 0.443 470 D N -0.168 120.254 120.400 0.038 0.000 2.144 470 D HA -0.161 4.477 4.640 -0.004 0.000 0.199 470 D C 1.833 178.029 176.300 -0.174 0.000 0.984 470 D CA 1.243 55.139 54.000 -0.174 0.000 0.834 470 D CB -0.269 40.329 40.800 -0.337 0.000 0.955 470 D HN 0.253 nan 8.370 nan 0.000 0.465 471 F N -0.096 119.919 119.950 0.107 0.000 2.206 471 F HA -0.135 4.390 4.527 -0.004 0.000 0.298 471 F C 2.348 178.278 175.800 0.217 0.000 1.090 471 F CA 0.459 58.594 58.000 0.225 0.000 1.323 471 F CB -0.671 38.517 39.000 0.313 0.000 1.028 471 F HN -0.046 nan 8.300 nan 0.000 0.492 472 Y N 1.431 121.703 120.300 -0.046 0.000 2.181 472 Y HA -0.211 4.337 4.550 -0.004 0.000 0.288 472 Y C 2.147 178.040 175.900 -0.010 0.000 1.146 472 Y CA 1.664 59.578 58.100 -0.309 0.000 1.164 472 Y CB -0.660 37.455 38.460 -0.575 0.000 0.982 472 Y HN 0.136 nan 8.280 nan 0.000 0.515 473 E N -0.301 119.857 120.200 -0.070 0.000 2.153 473 E HA -0.192 4.155 4.350 -0.004 0.000 0.194 473 E C 2.187 178.840 176.600 0.089 0.000 0.988 473 E CA 0.970 57.334 56.400 -0.061 0.000 0.811 473 E CB -0.216 29.486 29.700 0.003 0.000 0.746 473 E HN 0.419 nan 8.360 nan 0.000 0.466 474 L N 0.763 122.076 121.223 0.150 0.000 2.095 474 L HA -0.024 4.313 4.340 -0.004 0.000 0.204 474 L C 0.142 177.092 176.870 0.134 0.000 1.080 474 L CA 1.595 56.559 54.840 0.205 0.000 0.759 474 L CB 0.117 42.293 42.059 0.195 0.000 0.914 474 L HN 0.015 nan 8.230 nan 0.000 0.439 475 E N 0.403 120.677 120.200 0.124 0.000 3.386 475 E HA 0.161 4.509 4.350 -0.004 0.000 0.236 475 E C -1.861 174.678 176.600 -0.102 0.000 1.227 475 E CA -1.288 55.096 56.400 -0.028 0.000 0.970 475 E CB 0.918 30.592 29.700 -0.043 0.000 1.343 475 E HN 0.210 nan 8.360 nan 0.000 0.397 476 P HA -0.258 nan 4.420 nan 0.000 0.217 476 P C 1.027 178.414 177.300 0.145 0.000 1.148 476 P CA 1.551 64.556 63.100 -0.158 0.000 0.828 476 P CB 0.021 31.521 31.700 -0.333 0.000 0.783 477 H N -0.595 118.573 119.070 0.163 0.000 2.491 477 H HA 0.075 4.628 4.556 -0.004 0.000 0.290 477 H C 1.813 177.224 175.328 0.138 0.000 1.050 477 H CA 0.909 57.043 56.048 0.143 0.000 1.309 477 H CB -0.833 28.985 29.762 0.093 0.000 1.392 477 H HN 0.113 nan 8.280 nan 0.000 0.554 478 K N 0.096 120.394 120.400 -0.171 0.000 2.217 478 K HA 0.028 4.345 4.320 -0.004 0.000 0.202 478 K C -0.441 175.992 176.600 -0.279 0.000 1.051 478 K CA 0.238 56.402 56.287 -0.206 0.000 0.952 478 K CB 0.095 32.356 32.500 -0.398 0.000 0.736 478 K HN 0.201 nan 8.250 nan 0.000 0.453 479 F N 1.965 121.949 119.950 0.056 0.000 2.438 479 F HA 0.139 4.664 4.527 -0.004 0.000 0.356 479 F C 0.573 176.382 175.800 0.015 0.000 1.099 479 F CA 0.031 58.066 58.000 0.058 0.000 1.185 479 F CB 0.761 39.852 39.000 0.151 0.000 1.115 479 F HN -0.080 nan 8.300 nan 0.000 0.526 480 Q N 1.752 121.576 119.800 0.040 0.000 2.605 480 Q HA 0.368 4.705 4.340 -0.004 0.000 0.296 480 Q C -1.192 174.768 176.000 -0.066 0.000 1.056 480 Q CA -1.274 54.511 55.803 -0.030 0.000 0.778 480 Q CB 3.109 31.774 28.738 -0.121 0.000 1.497 480 Q HN 0.633 nan 8.270 nan 0.000 0.443 481 N N 0.617 119.259 118.700 -0.097 0.000 2.238 481 N HA 0.293 5.030 4.740 -0.004 0.000 0.302 481 N C -1.547 173.867 175.510 -0.160 0.000 1.072 481 N CA -0.403 52.588 53.050 -0.097 0.000 0.792 481 N CB 1.143 39.596 38.487 -0.056 0.000 1.425 481 N HN 0.280 nan 8.380 nan 0.000 0.478 482 K N 2.719 123.028 120.400 -0.151 0.000 2.756 482 K HA 0.182 4.500 4.320 -0.004 0.000 0.218 482 K C -0.972 175.637 176.600 0.016 0.000 1.057 482 K CA -0.469 55.703 56.287 -0.191 0.000 1.056 482 K CB 1.177 33.343 32.500 -0.556 0.000 1.235 482 K HN 0.554 nan 8.250 nan 0.000 0.547 483 T N 1.991 116.571 114.554 0.043 0.000 2.908 483 T HA 0.048 4.395 4.350 -0.004 0.000 0.301 483 T C 0.828 175.656 174.700 0.213 0.000 1.019 483 T CA 0.402 62.579 62.100 0.127 0.000 1.152 483 T CB 0.317 69.260 68.868 0.126 0.000 0.966 483 T HN 0.352 nan 8.240 nan 0.000 0.540 484 N N 0.517 119.366 118.700 0.248 0.000 2.297 484 N HA 0.416 5.153 4.740 -0.004 0.000 0.232 484 N C 0.467 176.165 175.510 0.313 0.000 1.311 484 N CA -0.171 53.061 53.050 0.302 0.000 0.897 484 N CB 0.380 38.985 38.487 0.197 0.000 1.137 484 N HN 0.765 nan 8.380 nan 0.000 0.449 485 G N -0.713 108.277 108.800 0.318 0.000 2.645 485 G HA2 0.571 4.529 3.960 -0.004 0.000 0.292 485 G HA3 0.571 4.529 3.960 -0.004 0.000 0.292 485 G C -1.478 173.556 174.900 0.223 0.000 1.415 485 G CA -0.740 44.533 45.100 0.289 0.000 0.785 485 G HN 0.593 nan 8.290 nan 0.000 0.483 486 I N -2.235 118.452 120.570 0.195 0.000 2.828 486 I HA 0.748 4.916 4.170 -0.004 0.000 0.302 486 I C -0.227 176.045 176.117 0.258 0.000 1.101 486 I CA -0.942 60.466 61.300 0.180 0.000 1.031 486 I CB 2.432 40.439 38.000 0.011 0.000 1.231 486 I HN 0.507 nan 8.210 nan 0.000 0.427 487 T N 4.471 119.224 114.554 0.332 0.000 2.814 487 T HA 0.338 4.686 4.350 -0.004 0.000 0.297 487 T C -1.322 173.493 174.700 0.191 0.000 0.956 487 T CA -1.584 60.642 62.100 0.209 0.000 1.123 487 T CB 0.776 69.719 68.868 0.124 0.000 0.902 487 T HN 0.649 nan 8.240 nan 0.000 0.528 488 P HA 0.024 nan 4.420 nan 0.000 0.233 488 P C 1.070 178.341 177.300 -0.047 0.000 1.167 488 P CA 0.348 63.485 63.100 0.063 0.000 0.770 488 P CB 0.385 32.107 31.700 0.037 0.000 0.837 489 R N 0.529 120.957 120.500 -0.120 0.000 2.056 489 R HA 0.006 4.343 4.340 -0.004 0.000 0.227 489 R C 2.726 178.910 176.300 -0.193 0.000 1.149 489 R CA 1.569 57.557 56.100 -0.186 0.000 0.937 489 R CB -1.279 28.918 30.300 -0.173 0.000 0.835 489 R HN 0.048 nan 8.270 nan 0.000 0.430 490 R N -0.760 119.570 120.500 -0.284 0.000 2.075 490 R HA -0.119 4.219 4.340 -0.004 0.000 0.232 490 R C 0.993 176.916 176.300 -0.629 0.000 1.126 490 R CA 1.607 57.382 56.100 -0.540 0.000 0.963 490 R CB -0.176 29.634 30.300 -0.816 0.000 0.858 490 R HN 0.290 nan 8.270 nan 0.000 0.435 491 W N -0.046 121.211 121.300 -0.071 0.000 3.438 491 W HA 0.157 4.814 4.660 -0.005 0.000 0.322 491 W C 0.871 177.360 176.519 -0.051 0.000 1.261 491 W CA -0.641 56.660 57.345 -0.073 0.000 1.788 491 W CB 0.377 29.796 29.460 -0.068 0.000 1.065 491 W HN 0.240 nan 8.180 nan 0.000 0.715 492 L N -2.507 118.760 121.223 0.073 0.000 2.376 492 L HA 0.163 4.500 4.340 -0.004 0.000 0.153 492 L C 1.703 178.589 176.870 0.027 0.000 1.272 492 L CA 0.697 55.584 54.840 0.078 0.000 1.005 492 L CB -0.832 41.302 42.059 0.125 0.000 2.027 492 L HN -0.261 nan 8.230 nan 0.000 0.495 493 V N 1.302 121.212 119.914 -0.007 0.000 2.287 493 V HA -0.274 3.843 4.120 -0.004 0.000 0.248 493 V C 2.436 178.503 176.094 -0.044 0.000 1.053 493 V CA 2.542 64.828 62.300 -0.023 0.000 1.027 493 V CB -0.700 31.081 31.823 -0.072 0.000 0.646 493 V HN 0.520 nan 8.190 nan 0.000 0.447 494 L N 0.489 121.655 121.223 -0.096 0.000 2.005 494 L HA -0.188 4.150 4.340 -0.004 0.000 0.207 494 L C 2.506 179.309 176.870 -0.111 0.000 1.072 494 L CA 2.419 57.187 54.840 -0.122 0.000 0.744 494 L CB -0.274 41.663 42.059 -0.203 0.000 0.895 494 L HN 0.663 nan 8.230 nan 0.000 0.433 495 C N -1.664 117.561 119.300 -0.126 0.000 2.563 495 C HA 0.183 4.641 4.460 -0.004 0.000 0.268 495 C C 1.193 176.162 174.990 -0.034 0.000 1.365 495 C CA -0.270 58.693 59.018 -0.092 0.000 1.754 495 C CB -1.038 26.641 27.740 -0.102 0.000 1.932 495 C HN 0.598 nan 8.230 nan 0.000 0.536 496 N N 1.191 119.884 118.700 -0.012 0.000 2.733 496 N HA 0.274 5.012 4.740 -0.004 0.000 0.271 496 N C -1.654 173.869 175.510 0.022 0.000 1.720 496 N CA -1.610 51.447 53.050 0.011 0.000 0.803 496 N CB 0.780 39.283 38.487 0.027 0.000 1.208 496 N HN 0.263 nan 8.380 nan 0.000 0.498 497 P HA -0.062 nan 4.420 nan 0.000 0.217 497 P C 1.407 178.726 177.300 0.032 0.000 1.150 497 P CA 0.967 64.081 63.100 0.022 0.000 0.832 497 P CB 0.234 31.939 31.700 0.009 0.000 0.787 498 G N 0.679 109.493 108.800 0.024 0.000 2.446 498 G HA2 -0.258 3.700 3.960 -0.004 0.000 0.217 498 G HA3 -0.258 3.700 3.960 -0.004 0.000 0.217 498 G C 1.554 176.470 174.900 0.027 0.000 1.168 498 G CA 0.789 45.901 45.100 0.021 0.000 0.771 498 G HN 0.263 nan 8.290 nan 0.000 0.551 499 L N 1.194 122.435 121.223 0.030 0.000 2.072 499 L HA 0.283 4.621 4.340 -0.004 0.000 0.205 499 L C 3.067 179.978 176.870 0.068 0.000 1.079 499 L CA 2.010 56.870 54.840 0.033 0.000 0.752 499 L CB -0.724 41.352 42.059 0.029 0.000 0.906 499 L HN 0.224 nan 8.230 nan 0.000 0.436 500 A N -0.805 122.074 122.820 0.099 0.000 1.978 500 A HA -0.251 4.067 4.320 -0.004 0.000 0.220 500 A C 2.225 179.911 177.584 0.170 0.000 1.170 500 A CA 1.809 53.957 52.037 0.185 0.000 0.636 500 A CB -0.641 18.462 19.000 0.172 0.000 0.810 500 A HN 0.546 nan 8.150 nan 0.000 0.448 501 E N 0.731 120.992 120.200 0.102 0.000 2.028 501 E HA -0.154 4.193 4.350 -0.004 0.000 0.191 501 E C 1.861 178.505 176.600 0.074 0.000 0.988 501 E CA 1.588 58.037 56.400 0.081 0.000 0.799 501 E CB -0.508 29.223 29.700 0.050 0.000 0.755 501 E HN 0.736 nan 8.360 nan 0.000 0.447 502 I N -1.713 118.900 120.570 0.072 0.000 2.454 502 I HA -0.127 4.041 4.170 -0.004 0.000 0.254 502 I C 2.104 178.294 176.117 0.122 0.000 1.156 502 I CA 1.049 62.408 61.300 0.098 0.000 1.433 502 I CB -0.338 37.726 38.000 0.106 0.000 1.082 502 I HN 0.026 nan 8.210 nan 0.000 0.432 503 I N 1.871 122.491 120.570 0.083 0.000 2.277 503 I HA -0.143 4.024 4.170 -0.004 0.000 0.243 503 I C 3.024 179.096 176.117 -0.075 0.000 1.094 503 I CA 1.186 62.459 61.300 -0.045 0.000 1.393 503 I CB -0.411 37.453 38.000 -0.226 0.000 1.078 503 I HN 0.276 nan 8.210 nan 0.000 0.417 504 A N 0.507 123.377 122.820 0.083 0.000 1.940 504 A HA -0.238 4.080 4.320 -0.004 0.000 0.219 504 A C 2.148 179.762 177.584 0.050 0.000 1.176 504 A CA 1.662 53.797 52.037 0.163 0.000 0.631 504 A CB -0.610 18.510 19.000 0.200 0.000 0.814 504 A HN 0.437 nan 8.150 nan 0.000 0.446 505 E N -0.738 119.468 120.200 0.011 0.000 2.160 505 E HA -0.200 4.148 4.350 -0.004 0.000 0.195 505 E C 2.243 178.792 176.600 -0.084 0.000 0.991 505 E CA 1.137 57.523 56.400 -0.022 0.000 0.810 505 E CB -0.054 29.635 29.700 -0.018 0.000 0.742 505 E HN 0.492 nan 8.360 nan 0.000 0.466 506 R N 0.120 120.511 120.500 -0.182 0.000 2.105 506 R HA 0.080 4.418 4.340 -0.004 0.000 0.214 506 R C 2.271 178.494 176.300 -0.128 0.000 1.091 506 R CA 0.851 56.765 56.100 -0.309 0.000 1.007 506 R CB -0.128 29.669 30.300 -0.838 0.000 0.912 506 R HN 0.316 nan 8.270 nan 0.000 0.450 507 I N -3.015 117.505 120.570 -0.084 0.000 4.147 507 I HA 0.442 4.609 4.170 -0.004 0.000 0.329 507 I C 0.324 176.488 176.117 0.079 0.000 1.424 507 I CA -0.021 61.286 61.300 0.011 0.000 1.127 507 I CB 0.861 38.862 38.000 0.002 0.000 1.128 507 I HN 0.170 nan 8.210 nan 0.000 0.417 508 G N 2.146 111.000 108.800 0.090 0.000 2.698 508 G HA2 -0.206 3.751 3.960 -0.004 0.000 0.225 508 G HA3 -0.206 3.751 3.960 -0.004 0.000 0.225 508 G C -0.073 174.960 174.900 0.222 0.000 1.345 508 G CA 0.142 45.315 45.100 0.122 0.000 0.871 508 G HN 0.450 nan 8.290 nan 0.000 0.540 509 E N -0.390 119.889 120.200 0.132 0.000 2.476 509 E HA 0.072 4.419 4.350 -0.004 0.000 0.199 509 E C 1.851 178.398 176.600 -0.088 0.000 1.021 509 E CA 0.008 56.426 56.400 0.029 0.000 0.907 509 E CB 0.272 29.980 29.700 0.014 0.000 0.974 509 E HN 0.465 nan 8.360 nan 0.000 0.489 510 E N 0.760 120.981 120.200 0.036 0.000 2.219 510 E HA -0.202 4.146 4.350 -0.004 0.000 0.198 510 E C 1.748 178.344 176.600 -0.008 0.000 0.998 510 E CA 1.029 57.443 56.400 0.024 0.000 0.818 510 E CB -0.063 29.675 29.700 0.065 0.000 0.741 510 E HN 0.532 nan 8.360 nan 0.000 0.477 511 Y N -1.110 119.196 120.300 0.011 0.000 2.352 511 Y HA -0.032 4.517 4.550 -0.003 0.000 0.292 511 Y C 2.030 177.908 175.900 -0.037 0.000 1.136 511 Y CA 0.564 58.662 58.100 -0.003 0.000 1.227 511 Y CB -0.831 37.632 38.460 0.006 0.000 0.991 511 Y HN -0.091 nan 8.280 nan 0.000 0.545 512 I N 1.026 121.091 120.570 -0.842 0.000 2.399 512 I HA -0.265 3.902 4.170 -0.004 0.000 0.254 512 I C 1.621 177.471 176.117 -0.444 0.000 1.146 512 I CA 1.938 62.811 61.300 -0.712 0.000 1.412 512 I CB -0.406 37.090 38.000 -0.839 0.000 1.076 512 I HN 0.510 nan 8.210 nan 0.000 0.432 513 S N -2.334 113.212 115.700 -0.256 0.000 2.730 513 S HA 0.169 4.637 4.470 -0.004 0.000 0.244 513 S C 0.190 174.770 174.600 -0.032 0.000 1.022 513 S CA -0.485 57.644 58.200 -0.118 0.000 1.014 513 S CB 0.443 63.646 63.200 0.005 0.000 0.963 513 S HN 0.274 nan 8.310 nan 0.000 0.540 514 D N 0.886 121.277 120.400 -0.015 0.000 2.978 514 D HA 0.260 4.898 4.640 -0.004 0.000 0.268 514 D C 0.716 177.059 176.300 0.072 0.000 1.252 514 D CA -0.317 53.700 54.000 0.029 0.000 0.771 514 D CB -0.123 40.700 40.800 0.037 0.000 1.361 514 D HN 0.135 nan 8.370 nan 0.000 0.558 515 L N 0.338 121.605 121.223 0.074 0.000 2.263 515 L HA -0.159 4.178 4.340 -0.004 0.000 0.216 515 L C 1.183 178.108 176.870 0.092 0.000 1.111 515 L CA 1.130 56.043 54.840 0.122 0.000 0.773 515 L CB 0.045 42.167 42.059 0.104 0.000 0.906 515 L HN 0.287 nan 8.230 nan 0.000 0.439 516 D N -0.341 120.089 120.400 0.050 0.000 2.221 516 D HA -0.211 4.426 4.640 -0.004 0.000 0.204 516 D C 2.045 178.368 176.300 0.039 0.000 0.982 516 D CA 0.922 54.937 54.000 0.025 0.000 0.857 516 D CB -0.038 40.763 40.800 0.003 0.000 0.934 516 D HN 0.496 nan 8.370 nan 0.000 0.475 517 Q N -0.038 119.803 119.800 0.069 0.000 2.439 517 Q HA -0.039 4.298 4.340 -0.004 0.000 0.211 517 Q C 2.188 178.214 176.000 0.044 0.000 0.978 517 Q CA 0.190 56.035 55.803 0.070 0.000 0.897 517 Q CB 0.016 28.823 28.738 0.115 0.000 0.956 517 Q HN 0.381 nan 8.270 nan 0.000 0.483 518 L N 0.039 121.284 121.223 0.036 0.000 2.353 518 L HA -0.170 4.168 4.340 -0.004 0.000 0.220 518 L C 2.202 179.077 176.870 0.009 0.000 1.133 518 L CA 0.762 55.592 54.840 -0.017 0.000 0.798 518 L CB -0.283 41.776 42.059 0.000 0.000 0.922 518 L HN 0.195 nan 8.230 nan 0.000 0.445 519 R N 0.288 120.799 120.500 0.018 0.000 2.152 519 R HA -0.155 4.183 4.340 -0.004 0.000 0.232 519 R C 2.080 178.386 176.300 0.010 0.000 1.117 519 R CA 0.940 57.050 56.100 0.016 0.000 0.981 519 R CB -0.121 30.183 30.300 0.007 0.000 0.870 519 R HN 0.397 nan 8.270 nan 0.000 0.451 520 K N 0.592 120.999 120.400 0.011 0.000 2.211 520 K HA -0.116 4.201 4.320 -0.004 0.000 0.204 520 K C 1.861 178.482 176.600 0.036 0.000 1.047 520 K CA 0.949 57.240 56.287 0.008 0.000 0.935 520 K CB -0.119 32.398 32.500 0.028 0.000 0.728 520 K HN 0.203 nan 8.250 nan 0.000 0.452 521 L N 0.622 121.885 121.223 0.067 0.000 2.353 521 L HA -0.164 4.174 4.340 -0.004 0.000 0.220 521 L C 1.950 178.900 176.870 0.132 0.000 1.133 521 L CA 0.125 55.051 54.840 0.143 0.000 0.798 521 L CB -0.320 41.802 42.059 0.104 0.000 0.922 521 L HN 0.136 nan 8.230 nan 0.000 0.445 522 L N 0.077 121.329 121.223 0.049 0.000 2.127 522 L HA -0.189 4.148 4.340 -0.004 0.000 0.211 522 L C 2.645 179.494 176.870 -0.035 0.000 1.089 522 L CA 1.919 56.773 54.840 0.023 0.000 0.757 522 L CB -0.784 41.275 42.059 -0.001 0.000 0.899 522 L HN 0.354 nan 8.230 nan 0.000 0.434 523 S N -2.799 112.809 115.700 -0.154 0.000 2.660 523 S HA -0.049 4.419 4.470 -0.004 0.000 0.223 523 S C 1.073 175.405 174.600 -0.447 0.000 0.963 523 S CA 0.162 58.178 58.200 -0.307 0.000 0.932 523 S CB -0.510 62.441 63.200 -0.415 0.000 0.775 523 S HN 0.432 nan 8.310 nan 0.000 0.531 524 Y N -0.495 119.771 120.300 -0.058 0.000 2.500 524 Y HA 0.423 4.971 4.550 -0.003 0.000 0.246 524 Y C 1.871 177.841 175.900 0.116 0.000 1.146 524 Y CA -0.846 57.226 58.100 -0.047 0.000 1.230 524 Y CB 0.074 38.338 38.460 -0.327 0.000 1.214 524 Y HN 0.261 nan 8.280 nan 0.000 0.526 525 V N 0.376 120.405 119.914 0.192 0.000 2.720 525 V HA -0.211 3.907 4.120 -0.004 0.000 0.256 525 V C 0.882 177.053 176.094 0.128 0.000 1.082 525 V CA 2.263 64.663 62.300 0.166 0.000 1.101 525 V CB -0.001 31.876 31.823 0.090 0.000 0.693 525 V HN 0.302 nan 8.190 nan 0.000 0.479 526 D N -0.784 119.678 120.400 0.103 0.000 2.398 526 D HA 0.125 4.763 4.640 -0.004 0.000 0.210 526 D C 0.371 176.732 176.300 0.101 0.000 1.094 526 D CA -0.004 54.043 54.000 0.078 0.000 0.839 526 D CB 0.066 40.889 40.800 0.037 0.000 0.963 526 D HN 0.426 nan 8.370 nan 0.000 0.506 527 D N 1.461 121.961 120.400 0.167 0.000 2.344 527 D HA -0.033 4.604 4.640 -0.004 0.000 0.253 527 D C 1.265 177.670 176.300 0.176 0.000 1.255 527 D CA 0.019 54.136 54.000 0.195 0.000 0.894 527 D CB 1.330 42.324 40.800 0.322 0.000 1.067 527 D HN -0.207 nan 8.370 nan 0.000 0.492 528 E N 3.335 123.604 120.200 0.114 0.000 2.130 528 E HA -0.186 4.161 4.350 -0.004 0.000 0.196 528 E C 1.668 178.320 176.600 0.086 0.000 0.998 528 E CA 1.522 57.971 56.400 0.083 0.000 0.806 528 E CB -0.054 29.679 29.700 0.056 0.000 0.738 528 E HN 0.593 nan 8.360 nan 0.000 0.459 529 A N -0.431 122.454 122.820 0.109 0.000 1.873 529 A HA -0.117 4.201 4.320 -0.004 0.000 0.215 529 A C 2.273 179.941 177.584 0.140 0.000 1.186 529 A CA 1.265 53.362 52.037 0.101 0.000 0.616 529 A CB -0.990 18.067 19.000 0.094 0.000 0.823 529 A HN 0.430 nan 8.150 nan 0.000 0.442 530 F N 0.470 120.419 119.950 -0.002 0.000 2.102 530 F HA -0.172 4.353 4.527 -0.003 0.000 0.298 530 F C 2.082 177.880 175.800 -0.004 0.000 1.105 530 F CA 1.555 59.537 58.000 -0.029 0.000 1.239 530 F CB -0.100 38.880 39.000 -0.032 0.000 0.991 530 F HN 0.161 nan 8.300 nan 0.000 0.474 531 I N 0.151 120.742 120.570 0.036 0.000 2.194 531 I HA -0.364 3.803 4.170 -0.004 0.000 0.246 531 I C 2.557 178.617 176.117 -0.095 0.000 1.093 531 I CA 1.641 62.904 61.300 -0.061 0.000 1.355 531 I CB -0.503 37.511 38.000 0.024 0.000 1.046 531 I HN 0.124 nan 8.210 nan 0.000 0.413 532 R N 0.857 121.331 120.500 -0.043 0.000 2.075 532 R HA -0.176 4.162 4.340 -0.004 0.000 0.232 532 R C 1.915 178.170 176.300 -0.075 0.000 1.126 532 R CA 1.741 57.815 56.100 -0.044 0.000 0.963 532 R CB -0.091 30.202 30.300 -0.011 0.000 0.858 532 R HN 0.297 nan 8.270 nan 0.000 0.435 533 D N -0.300 120.042 120.400 -0.096 0.000 2.097 533 D HA -0.124 4.513 4.640 -0.004 0.000 0.197 533 D C 1.953 178.142 176.300 -0.184 0.000 0.984 533 D CA 1.242 55.177 54.000 -0.109 0.000 0.826 533 D CB -0.200 40.564 40.800 -0.061 0.000 0.973 533 D HN 0.079 nan 8.370 nan 0.000 0.460 534 V N 1.746 121.450 119.914 -0.351 0.000 2.252 534 V HA -0.284 3.833 4.120 -0.004 0.000 0.249 534 V C 2.582 178.584 176.094 -0.154 0.000 1.056 534 V CA 2.074 64.171 62.300 -0.337 0.000 1.022 534 V CB -0.870 30.669 31.823 -0.475 0.000 0.641 534 V HN 0.194 nan 8.190 nan 0.000 0.445 535 A N -0.569 122.180 122.820 -0.117 0.000 1.972 535 A HA -0.260 4.058 4.320 -0.004 0.000 0.219 535 A C 2.346 179.898 177.584 -0.055 0.000 1.169 535 A CA 2.127 54.130 52.037 -0.057 0.000 0.635 535 A CB -0.482 18.489 19.000 -0.049 0.000 0.810 535 A HN 0.566 nan 8.150 nan 0.000 0.446 536 K N -0.225 120.138 120.400 -0.061 0.000 2.025 536 K HA -0.080 4.238 4.320 -0.004 0.000 0.207 536 K C 1.798 178.377 176.600 -0.035 0.000 1.049 536 K CA 1.563 57.824 56.287 -0.044 0.000 0.933 536 K CB -0.263 32.214 32.500 -0.039 0.000 0.714 536 K HN 0.213 nan 8.250 nan 0.000 0.438 537 V N 1.819 121.708 119.914 -0.042 0.000 2.295 537 V HA -0.248 3.869 4.120 -0.004 0.000 0.246 537 V C 2.407 178.493 176.094 -0.013 0.000 1.049 537 V CA 2.066 64.352 62.300 -0.024 0.000 1.024 537 V CB -0.499 31.305 31.823 -0.032 0.000 0.648 537 V HN 0.372 nan 8.190 nan 0.000 0.447 538 K N 0.541 120.931 120.400 -0.016 0.000 2.032 538 K HA -0.245 4.072 4.320 -0.004 0.000 0.209 538 K C 2.172 178.757 176.600 -0.025 0.000 1.048 538 K CA 1.932 58.217 56.287 -0.003 0.000 0.927 538 K CB -0.570 31.941 32.500 0.018 0.000 0.712 538 K HN 0.383 nan 8.250 nan 0.000 0.441 539 Q N 1.025 120.802 119.800 -0.039 0.000 2.096 539 Q HA -0.140 4.198 4.340 -0.004 0.000 0.204 539 Q C 1.711 177.699 176.000 -0.020 0.000 0.982 539 Q CA 2.100 57.871 55.803 -0.053 0.000 0.850 539 Q CB -0.140 28.568 28.738 -0.049 0.000 0.901 539 Q HN 0.543 nan 8.270 nan 0.000 0.422 540 E N -0.570 119.629 120.200 -0.002 0.000 2.077 540 E HA -0.154 4.194 4.350 -0.004 0.000 0.193 540 E C 1.768 178.398 176.600 0.049 0.000 0.989 540 E CA 0.955 57.368 56.400 0.022 0.000 0.800 540 E CB -0.075 29.635 29.700 0.017 0.000 0.746 540 E HN 0.413 nan 8.360 nan 0.000 0.452 541 N N 1.025 119.753 118.700 0.046 0.000 2.120 541 N HA -0.135 4.602 4.740 -0.004 0.000 0.188 541 N C 1.510 177.111 175.510 0.151 0.000 1.024 541 N CA 1.062 54.160 53.050 0.080 0.000 0.852 541 N CB -0.079 38.440 38.487 0.053 0.000 1.003 541 N HN 0.149 nan 8.380 nan 0.000 0.424 542 K N 0.601 121.063 120.400 0.103 0.000 2.097 542 K HA 0.021 4.338 4.320 -0.004 0.000 0.205 542 K C 2.119 178.871 176.600 0.254 0.000 1.050 542 K CA 0.640 57.028 56.287 0.168 0.000 0.938 542 K CB -0.129 32.209 32.500 -0.268 0.000 0.718 542 K HN 0.107 nan 8.250 nan 0.000 0.442 543 L N 1.100 122.405 121.223 0.136 0.000 2.056 543 L HA -0.162 4.175 4.340 -0.004 0.000 0.207 543 L C 2.626 179.593 176.870 0.163 0.000 1.078 543 L CA 1.014 55.934 54.840 0.133 0.000 0.749 543 L CB -0.336 41.767 42.059 0.075 0.000 0.901 543 L HN 0.103 nan 8.230 nan 0.000 0.433 544 K N 0.081 120.582 120.400 0.168 0.000 2.032 544 K HA -0.227 4.091 4.320 -0.004 0.000 0.209 544 K C 2.175 178.929 176.600 0.257 0.000 1.048 544 K CA 1.798 58.191 56.287 0.177 0.000 0.927 544 K CB -0.388 32.203 32.500 0.152 0.000 0.712 544 K HN 0.126 nan 8.250 nan 0.000 0.441 545 F N 1.198 121.241 119.950 0.156 0.000 2.206 545 F HA -0.046 4.478 4.527 -0.004 0.000 0.298 545 F C 2.075 178.013 175.800 0.229 0.000 1.090 545 F CA 1.197 59.305 58.000 0.180 0.000 1.323 545 F CB -0.483 38.624 39.000 0.178 0.000 1.028 545 F HN 0.060 nan 8.300 nan 0.000 0.492 546 A N 0.110 123.071 122.820 0.235 0.000 1.972 546 A HA -0.046 4.272 4.320 -0.004 0.000 0.219 546 A C 2.373 179.970 177.584 0.023 0.000 1.169 546 A CA 1.713 53.820 52.037 0.117 0.000 0.635 546 A CB -1.381 17.764 19.000 0.242 0.000 0.810 546 A HN 0.455 nan 8.150 nan 0.000 0.446 547 A N -1.371 121.488 122.820 0.064 0.000 1.874 547 A HA -0.012 4.306 4.320 -0.004 0.000 0.214 547 A C 2.106 179.696 177.584 0.010 0.000 1.189 547 A CA 1.421 53.480 52.037 0.037 0.000 0.615 547 A CB -0.898 18.143 19.000 0.067 0.000 0.830 547 A HN 0.740 nan 8.150 nan 0.000 0.443 548 Y N 0.159 120.403 120.300 -0.093 0.000 2.193 548 Y HA -0.228 4.320 4.550 -0.004 0.000 0.285 548 Y C 1.888 177.687 175.900 -0.168 0.000 1.166 548 Y CA 1.830 59.864 58.100 -0.110 0.000 1.181 548 Y CB -0.352 38.059 38.460 -0.081 0.000 0.976 548 Y HN 0.201 nan 8.280 nan 0.000 0.520 549 L N 0.802 121.939 121.223 -0.145 0.000 2.042 549 L HA -0.218 4.119 4.340 -0.004 0.000 0.210 549 L C 2.296 179.080 176.870 -0.144 0.000 1.076 549 L CA 2.123 56.853 54.840 -0.183 0.000 0.749 549 L CB -0.789 41.115 42.059 -0.258 0.000 0.893 549 L HN 0.355 nan 8.230 nan 0.000 0.432 550 E N -1.461 118.658 120.200 -0.136 0.000 2.051 550 E HA -0.176 4.172 4.350 -0.004 0.000 0.189 550 E C 2.292 178.803 176.600 -0.149 0.000 0.979 550 E CA 0.429 56.754 56.400 -0.124 0.000 0.803 550 E CB -0.193 29.436 29.700 -0.118 0.000 0.761 550 E HN 0.323 nan 8.360 nan 0.000 0.451 551 R N 0.978 121.374 120.500 -0.174 0.000 2.103 551 R HA -0.120 4.217 4.340 -0.004 0.000 0.242 551 R C 0.049 176.185 176.300 -0.274 0.000 1.142 551 R CA 1.091 57.078 56.100 -0.189 0.000 0.960 551 R CB 0.190 30.386 30.300 -0.174 0.000 0.858 551 R HN 0.083 nan 8.270 nan 0.000 0.439 552 E N -0.450 119.493 120.200 -0.428 0.000 2.145 552 E HA 0.126 4.473 4.350 -0.004 0.000 0.262 552 E C -0.843 175.512 176.600 -0.408 0.000 0.883 552 E CA -0.779 55.276 56.400 -0.575 0.000 0.748 552 E CB 1.046 30.214 29.700 -0.887 0.000 1.140 552 E HN 0.202 nan 8.360 nan 0.000 0.417 553 Y N 0.018 120.228 120.300 -0.150 0.000 4.885 553 Y HA -0.240 4.308 4.550 -0.004 0.000 0.283 553 Y C -0.083 175.773 175.900 -0.074 0.000 0.850 553 Y CA 0.121 58.169 58.100 -0.086 0.000 1.689 553 Y CB -1.530 36.886 38.460 -0.073 0.000 1.083 553 Y HN 0.452 nan 8.280 nan 0.000 0.478 554 K N 0.102 120.510 120.400 0.013 0.000 5.423 554 K HA -0.002 4.315 4.320 -0.004 0.000 0.410 554 K C -0.200 176.401 176.600 0.003 0.000 0.929 554 K CA 1.069 57.345 56.287 -0.019 0.000 1.129 554 K CB -0.883 31.608 32.500 -0.014 0.000 1.934 554 K HN 0.387 nan 8.250 nan 0.000 0.348 555 V N 2.241 122.133 119.914 -0.036 0.000 3.130 555 V HA 0.406 4.524 4.120 -0.004 0.000 0.310 555 V C 0.098 176.163 176.094 -0.048 0.000 1.158 555 V CA -0.737 61.554 62.300 -0.015 0.000 1.029 555 V CB 2.162 33.980 31.823 -0.009 0.000 1.057 555 V HN 0.743 nan 8.190 nan 0.000 0.436 556 H N 4.585 123.641 119.070 -0.023 0.000 2.488 556 H HA 0.388 4.942 4.556 -0.004 0.000 0.294 556 H C 0.627 175.948 175.328 -0.012 0.000 1.088 556 H CA 0.146 56.184 56.048 -0.018 0.000 1.086 556 H CB -0.029 29.720 29.762 -0.022 0.000 1.569 556 H HN 0.650 nan 8.280 nan 0.000 0.548 557 I N -0.751 119.885 120.570 0.109 0.000 3.045 557 I HA 0.009 4.176 4.170 -0.004 0.000 0.288 557 I C 0.450 176.665 176.117 0.164 0.000 1.238 557 I CA -0.109 61.247 61.300 0.093 0.000 1.396 557 I CB 0.537 38.544 38.000 0.013 0.000 1.355 557 I HN 0.037 nan 8.210 nan 0.000 0.601 558 N N 4.962 123.768 118.700 0.176 0.000 2.469 558 N HA 0.419 5.157 4.740 -0.004 0.000 0.253 558 N C -2.084 173.575 175.510 0.248 0.000 0.970 558 N CA -2.374 50.781 53.050 0.176 0.000 0.940 558 N CB 1.542 40.094 38.487 0.108 0.000 1.128 558 N HN 0.322 nan 8.380 nan 0.000 0.503 559 P HA -0.077 nan 4.420 nan 0.000 0.224 559 P C -0.035 177.245 177.300 -0.033 0.000 1.142 559 P CA 1.202 64.371 63.100 0.116 0.000 0.778 559 P CB 0.102 31.855 31.700 0.089 0.000 0.764 560 N N -1.420 117.297 118.700 0.030 0.000 2.373 560 N HA 0.007 4.745 4.740 -0.004 0.000 0.181 560 N C 0.511 176.041 175.510 0.033 0.000 1.082 560 N CA -0.112 52.944 53.050 0.010 0.000 0.885 560 N CB 0.087 38.593 38.487 0.032 0.000 0.977 560 N HN 0.189 nan 8.380 nan 0.000 0.462 561 S N 0.458 116.192 115.700 0.056 0.000 2.614 561 S HA 0.196 4.664 4.470 -0.004 0.000 0.265 561 S C 0.016 174.575 174.600 -0.068 0.000 1.303 561 S CA -0.832 57.389 58.200 0.036 0.000 1.000 561 S CB 1.160 64.415 63.200 0.092 0.000 0.935 561 S HN 0.161 nan 8.310 nan 0.000 0.551 562 L N 1.924 122.969 121.223 -0.297 0.000 2.360 562 L HA 0.381 4.718 4.340 -0.004 0.000 0.276 562 L C -0.888 175.950 176.870 -0.053 0.000 1.121 562 L CA -0.590 53.875 54.840 -0.625 0.000 0.845 562 L CB -0.130 41.276 42.059 -1.088 0.000 1.143 562 L HN 0.710 nan 8.230 nan 0.000 0.452 563 F N 4.187 123.998 119.950 -0.232 0.000 2.405 563 F HA 0.094 4.619 4.527 -0.003 0.000 0.358 563 F C 0.442 176.173 175.800 -0.115 0.000 1.151 563 F CA -0.832 57.106 58.000 -0.104 0.000 1.161 563 F CB 0.575 39.566 39.000 -0.014 0.000 1.245 563 F HN 0.524 nan 8.300 nan 0.000 0.545 564 D N 4.811 125.217 120.400 0.009 0.000 2.396 564 D HA 0.304 4.942 4.640 -0.004 0.000 0.225 564 D C -0.900 175.343 176.300 -0.095 0.000 1.121 564 D CA -0.086 53.872 54.000 -0.070 0.000 0.853 564 D CB 1.258 42.002 40.800 -0.093 0.000 1.043 564 D HN 0.095 nan 8.370 nan 0.000 0.500 565 V N 4.240 124.076 119.914 -0.130 0.000 2.604 565 V HA 0.411 4.529 4.120 -0.004 0.000 0.305 565 V C -0.179 175.757 176.094 -0.263 0.000 1.043 565 V CA -0.848 61.357 62.300 -0.159 0.000 0.888 565 V CB 1.817 33.616 31.823 -0.040 0.000 0.995 565 V HN 0.503 nan 8.190 nan 0.000 0.429 566 Q N 3.482 123.152 119.800 -0.218 0.000 2.490 566 Q HA 0.622 4.960 4.340 -0.004 0.000 0.255 566 Q C -1.478 174.363 176.000 -0.266 0.000 0.997 566 Q CA -0.429 55.233 55.803 -0.236 0.000 0.709 566 Q CB 1.912 30.539 28.738 -0.184 0.000 1.255 566 Q HN 0.813 nan 8.270 nan 0.000 0.486 567 V N 1.869 121.611 119.914 -0.287 0.000 2.487 567 V HA 0.873 4.990 4.120 -0.004 0.000 0.298 567 V C -0.829 174.980 176.094 -0.475 0.000 1.028 567 V CA -0.517 61.426 62.300 -0.595 0.000 0.860 567 V CB 1.322 32.569 31.823 -0.959 0.000 0.991 567 V HN 0.788 nan 8.190 nan 0.000 0.427 568 K N 2.621 122.786 120.400 -0.392 0.000 3.138 568 K HA 0.385 4.702 4.320 -0.004 0.000 0.309 568 K C -1.317 175.285 176.600 0.004 0.000 1.090 568 K CA -1.080 55.168 56.287 -0.065 0.000 0.816 568 K CB 0.897 33.352 32.500 -0.076 0.000 1.476 568 K HN 0.482 nan 8.250 nan 0.000 0.380 569 R N 0.841 121.392 120.500 0.084 0.000 2.698 569 R HA 0.190 4.528 4.340 -0.004 0.000 0.266 569 R C 0.382 176.710 176.300 0.047 0.000 1.026 569 R CA -0.333 55.833 56.100 0.110 0.000 1.102 569 R CB -0.185 30.211 30.300 0.160 0.000 0.978 569 R HN 0.456 nan 8.270 nan 0.000 0.436 570 I N 3.995 124.601 120.570 0.060 0.000 2.452 570 I HA 0.105 4.273 4.170 -0.004 0.000 0.287 570 I C 0.730 176.829 176.117 -0.030 0.000 1.079 570 I CA 0.577 61.864 61.300 -0.022 0.000 1.387 570 I CB -0.187 37.784 38.000 -0.049 0.000 1.404 570 I HN 0.343 nan 8.210 nan 0.000 0.522 571 H N 4.817 123.782 119.070 -0.174 0.000 3.079 571 H HA 0.210 4.764 4.556 -0.004 0.000 0.356 571 H C 0.361 175.568 175.328 -0.203 0.000 1.221 571 H CA -0.384 55.604 56.048 -0.100 0.000 1.185 571 H CB 1.858 31.534 29.762 -0.143 0.000 1.882 571 H HN 0.585 nan 8.280 nan 0.000 0.543 572 E N 1.847 122.133 120.200 0.143 0.000 2.110 572 E HA -0.218 4.130 4.350 -0.004 0.000 0.193 572 E C 1.313 177.729 176.600 -0.307 0.000 0.988 572 E CA 1.633 58.060 56.400 0.045 0.000 0.804 572 E CB -0.013 29.887 29.700 0.332 0.000 0.745 572 E HN 0.554 nan 8.360 nan 0.000 0.458 573 Y N 0.761 120.632 120.300 -0.715 0.000 2.421 573 Y HA 0.006 4.554 4.550 -0.004 0.000 0.292 573 Y C 1.543 177.159 175.900 -0.474 0.000 1.136 573 Y CA 0.642 58.033 58.100 -1.183 0.000 1.255 573 Y CB 0.029 37.781 38.460 -1.180 0.000 0.991 573 Y HN -0.219 nan 8.280 nan 0.000 0.552 574 K N 1.123 121.044 120.400 -0.799 0.000 2.365 574 K HA -0.002 4.315 4.320 -0.004 0.000 0.199 574 K C 0.282 176.704 176.600 -0.296 0.000 1.045 574 K CA 0.821 56.762 56.287 -0.578 0.000 0.962 574 K CB -0.211 31.971 32.500 -0.529 0.000 0.759 574 K HN 0.466 nan 8.250 nan 0.000 0.469 575 R N 0.602 120.958 120.500 -0.241 0.000 3.423 575 R HA -0.191 4.147 4.340 -0.004 0.000 0.271 575 R C 0.609 176.825 176.300 -0.140 0.000 1.093 575 R CA 0.279 56.288 56.100 -0.151 0.000 0.730 575 R CB -1.992 28.231 30.300 -0.128 0.000 1.190 575 R HN 0.207 nan 8.270 nan 0.000 0.437 576 Q N 0.302 120.019 119.800 -0.139 0.000 2.234 576 Q HA -0.046 4.291 4.340 -0.004 0.000 0.206 576 Q C 1.893 177.836 176.000 -0.094 0.000 0.980 576 Q CA 1.397 57.131 55.803 -0.115 0.000 0.869 576 Q CB 0.033 28.708 28.738 -0.105 0.000 0.912 576 Q HN 0.589 nan 8.270 nan 0.000 0.436 577 L N -0.596 120.572 121.223 -0.092 0.000 2.131 577 L HA -0.180 4.157 4.340 -0.004 0.000 0.210 577 L C 1.972 178.831 176.870 -0.019 0.000 1.092 577 L CA 0.531 55.329 54.840 -0.070 0.000 0.759 577 L CB -0.322 41.700 42.059 -0.061 0.000 0.903 577 L HN 0.311 nan 8.230 nan 0.000 0.435 578 L N -0.032 121.172 121.223 -0.032 0.000 2.056 578 L HA -0.212 4.125 4.340 -0.004 0.000 0.207 578 L C 2.025 178.935 176.870 0.066 0.000 1.078 578 L CA 1.831 56.664 54.840 -0.011 0.000 0.749 578 L CB -0.799 41.145 42.059 -0.191 0.000 0.901 578 L HN 0.270 nan 8.230 nan 0.000 0.433 579 N N -1.646 117.061 118.700 0.012 0.000 2.120 579 N HA -0.237 4.501 4.740 -0.004 0.000 0.188 579 N C 1.936 177.527 175.510 0.135 0.000 1.024 579 N CA 1.614 54.751 53.050 0.145 0.000 0.852 579 N CB -0.127 38.379 38.487 0.032 0.000 1.003 579 N HN 0.484 nan 8.380 nan 0.000 0.424 580 C N 0.577 119.890 119.300 0.022 0.000 2.413 580 C HA -0.072 4.386 4.460 -0.004 0.000 0.276 580 C C 2.582 177.565 174.990 -0.013 0.000 1.248 580 C CA 0.375 59.361 59.018 -0.054 0.000 1.742 580 C CB -1.245 26.407 27.740 -0.146 0.000 2.017 580 C HN 0.509 nan 8.230 nan 0.000 0.481 581 L N -0.374 120.901 121.223 0.087 0.000 2.083 581 L HA -0.191 4.147 4.340 -0.004 0.000 0.209 581 L C 2.759 179.782 176.870 0.255 0.000 1.083 581 L CA 1.726 56.663 54.840 0.162 0.000 0.752 581 L CB -1.023 41.196 42.059 0.267 0.000 0.899 581 L HN 0.592 nan 8.230 nan 0.000 0.433 582 H N -0.039 119.145 119.070 0.190 0.000 2.326 582 H HA -0.122 4.431 4.556 -0.004 0.000 0.301 582 H C 2.248 177.573 175.328 -0.005 0.000 1.081 582 H CA 1.799 57.883 56.048 0.060 0.000 1.334 582 H CB 0.332 30.065 29.762 -0.049 0.000 1.385 582 H HN 0.084 nan 8.280 nan 0.000 0.504 583 V N 1.677 121.531 119.914 -0.100 0.000 2.332 583 V HA -0.283 3.834 4.120 -0.004 0.000 0.248 583 V C 2.817 178.845 176.094 -0.110 0.000 1.055 583 V CA 1.927 64.129 62.300 -0.165 0.000 1.038 583 V CB -0.516 31.251 31.823 -0.094 0.000 0.651 583 V HN 0.402 nan 8.190 nan 0.000 0.450 584 I N -0.332 120.202 120.570 -0.059 0.000 2.394 584 I HA -0.196 3.971 4.170 -0.004 0.000 0.251 584 I C 2.475 178.635 176.117 0.071 0.000 1.136 584 I CA 1.574 62.896 61.300 0.038 0.000 1.425 584 I CB -0.663 37.338 38.000 0.000 0.000 1.079 584 I HN 0.321 nan 8.210 nan 0.000 0.425 585 T N 1.270 115.823 114.554 -0.000 0.000 2.708 585 T HA -0.142 4.206 4.350 -0.004 0.000 0.266 585 T C 1.894 176.539 174.700 -0.092 0.000 1.037 585 T CA 1.203 63.295 62.100 -0.013 0.000 1.146 585 T CB -0.243 68.641 68.868 0.027 0.000 0.865 585 T HN 0.079 nan 8.240 nan 0.000 0.435 586 L N 0.169 121.266 121.223 -0.210 0.000 2.012 586 L HA -0.043 4.294 4.340 -0.004 0.000 0.210 586 L C 2.116 178.938 176.870 -0.079 0.000 1.073 586 L CA 1.628 56.345 54.840 -0.205 0.000 0.748 586 L CB -0.998 40.877 42.059 -0.307 0.000 0.891 586 L HN 0.361 nan 8.230 nan 0.000 0.431 587 Y N 0.224 120.454 120.300 -0.117 0.000 2.128 587 Y HA -0.305 4.242 4.550 -0.004 0.000 0.284 587 Y C 2.446 178.320 175.900 -0.045 0.000 1.154 587 Y CA 1.926 59.995 58.100 -0.050 0.000 1.149 587 Y CB -0.128 38.345 38.460 0.022 0.000 0.976 587 Y HN 0.288 nan 8.280 nan 0.000 0.505 588 N N 0.439 119.092 118.700 -0.079 0.000 2.166 588 N HA -0.140 4.597 4.740 -0.004 0.000 0.186 588 N C 1.826 177.221 175.510 -0.191 0.000 1.019 588 N CA 1.508 54.450 53.050 -0.179 0.000 0.856 588 N CB -0.377 38.067 38.487 -0.072 0.000 0.993 588 N HN 0.447 nan 8.380 nan 0.000 0.426 589 R N 0.388 120.802 120.500 -0.143 0.000 2.120 589 R HA 0.061 4.399 4.340 -0.004 0.000 0.234 589 R C 2.179 178.389 176.300 -0.149 0.000 1.123 589 R CA 0.715 56.738 56.100 -0.128 0.000 0.975 589 R CB -0.208 30.026 30.300 -0.110 0.000 0.866 589 R HN 0.256 nan 8.270 nan 0.000 0.446 590 I N 0.875 121.332 120.570 -0.188 0.000 2.202 590 I HA -0.249 3.918 4.170 -0.004 0.000 0.242 590 I C 2.063 178.059 176.117 -0.202 0.000 1.091 590 I CA 1.145 62.335 61.300 -0.184 0.000 1.368 590 I CB -0.166 37.722 38.000 -0.187 0.000 1.058 590 I HN 0.012 nan 8.210 nan 0.000 0.410 591 K N 0.943 121.160 120.400 -0.305 0.000 2.209 591 K HA -0.212 4.106 4.320 -0.004 0.000 0.204 591 K C 1.991 178.494 176.600 -0.162 0.000 1.048 591 K CA 1.162 57.289 56.287 -0.267 0.000 0.940 591 K CB -0.306 31.964 32.500 -0.384 0.000 0.729 591 K HN 0.346 nan 8.250 nan 0.000 0.451 592 K N 1.214 121.525 120.400 -0.148 0.000 2.116 592 K HA -0.076 4.242 4.320 -0.004 0.000 0.203 592 K C 0.010 176.563 176.600 -0.079 0.000 1.052 592 K CA 1.007 57.234 56.287 -0.101 0.000 0.952 592 K CB 0.379 32.823 32.500 -0.093 0.000 0.729 592 K HN 0.057 nan 8.250 nan 0.000 0.446 593 E N 0.267 120.417 120.200 -0.083 0.000 3.386 593 E HA 0.122 4.469 4.350 -0.004 0.000 0.236 593 E C -2.368 174.194 176.600 -0.062 0.000 1.227 593 E CA -1.616 54.748 56.400 -0.060 0.000 0.970 593 E CB 1.730 31.400 29.700 -0.049 0.000 1.343 593 E HN 0.112 nan 8.360 nan 0.000 0.397 594 P HA -0.196 nan 4.420 nan 0.000 0.216 594 P C 0.289 177.568 177.300 -0.034 0.000 1.154 594 P CA 1.378 64.443 63.100 -0.058 0.000 0.865 594 P CB 0.157 31.828 31.700 -0.049 0.000 0.789 595 N N -1.379 117.310 118.700 -0.018 0.000 2.313 595 N HA 0.041 4.779 4.740 -0.004 0.000 0.207 595 N C 0.337 175.860 175.510 0.023 0.000 1.141 595 N CA 0.046 53.099 53.050 0.004 0.000 0.830 595 N CB -0.057 38.432 38.487 0.004 0.000 1.008 595 N HN 0.135 nan 8.380 nan 0.000 0.481 596 K N 0.743 121.150 120.400 0.012 0.000 2.130 596 K HA 0.205 4.523 4.320 -0.004 0.000 0.268 596 K C -0.915 175.724 176.600 0.064 0.000 0.983 596 K CA -0.720 55.590 56.287 0.039 0.000 0.893 596 K CB 0.803 33.306 32.500 0.005 0.000 1.066 596 K HN -0.077 nan 8.250 nan 0.000 0.450 597 F N 4.442 124.375 119.950 -0.028 0.000 2.443 597 F HA 0.264 4.789 4.527 -0.004 0.000 0.353 597 F C -0.509 175.273 175.800 -0.030 0.000 1.101 597 F CA -0.121 57.863 58.000 -0.026 0.000 1.226 597 F CB 0.693 39.680 39.000 -0.021 0.000 1.140 597 F HN 0.176 nan 8.300 nan 0.000 0.557 598 V N 4.109 123.434 119.914 -0.982 0.000 2.888 598 V HA 0.526 4.643 4.120 -0.004 0.000 0.309 598 V C -0.852 174.672 176.094 -0.950 0.000 1.114 598 V CA -1.228 60.645 62.300 -0.712 0.000 0.940 598 V CB 0.869 32.474 31.823 -0.363 0.000 1.021 598 V HN 0.584 nan 8.190 nan 0.000 0.426 599 V N 4.740 124.319 119.914 -0.558 0.000 2.540 599 V HA 0.185 4.303 4.120 -0.004 0.000 0.297 599 V C -1.824 174.102 176.094 -0.279 0.000 1.024 599 V CA -0.331 61.769 62.300 -0.333 0.000 1.105 599 V CB 0.431 32.182 31.823 -0.120 0.000 0.938 599 V HN 0.903 nan 8.190 nan 0.000 0.482 600 P HA 0.342 nan 4.420 nan 0.000 0.271 600 P C -0.419 176.796 177.300 -0.142 0.000 1.216 600 P CA -0.047 62.968 63.100 -0.142 0.000 0.776 600 P CB 0.542 32.206 31.700 -0.060 0.000 0.881 601 R N 1.082 121.513 120.500 -0.116 0.000 2.725 601 R HA 0.584 4.922 4.340 -0.004 0.000 0.277 601 R C -0.889 175.382 176.300 -0.049 0.000 0.987 601 R CA -0.659 55.377 56.100 -0.107 0.000 0.901 601 R CB 2.055 32.273 30.300 -0.136 0.000 1.207 601 R HN 0.271 nan 8.270 nan 0.000 0.463 602 T N 1.906 116.451 114.554 -0.014 0.000 2.864 602 T HA 0.237 4.584 4.350 -0.004 0.000 0.310 602 T C -0.408 174.228 174.700 -0.107 0.000 1.040 602 T CA -0.469 61.594 62.100 -0.061 0.000 0.977 602 T CB 1.089 69.887 68.868 -0.117 0.000 0.976 602 T HN 0.144 nan 8.240 nan 0.000 0.459 603 V N 5.825 125.681 119.914 -0.098 0.000 2.406 603 V HA 0.418 4.536 4.120 -0.004 0.000 0.272 603 V C 0.120 176.147 176.094 -0.112 0.000 1.043 603 V CA -0.319 61.923 62.300 -0.095 0.000 0.915 603 V CB 0.670 32.451 31.823 -0.071 0.000 0.988 603 V HN 0.843 nan 8.190 nan 0.000 0.466 604 M N 6.647 126.169 119.600 -0.130 0.000 2.181 604 M HA 0.608 5.086 4.480 -0.004 0.000 0.323 604 M C -1.005 175.196 176.300 -0.165 0.000 1.004 604 M CA -0.142 55.072 55.300 -0.143 0.000 0.941 604 M CB 1.962 34.475 32.600 -0.145 0.000 1.579 604 M HN 0.435 nan 8.290 nan 0.000 0.427 605 I N 1.867 122.323 120.570 -0.190 0.000 2.498 605 I HA 0.843 5.011 4.170 -0.004 0.000 0.290 605 I C 0.050 175.871 176.117 -0.493 0.000 1.032 605 I CA -0.654 60.508 61.300 -0.230 0.000 1.073 605 I CB 2.362 40.311 38.000 -0.085 0.000 1.251 605 I HN 0.795 nan 8.210 nan 0.000 0.426 606 G N 2.903 111.377 108.800 -0.543 0.000 2.704 606 G HA2 0.817 4.775 3.960 -0.004 0.000 0.293 606 G HA3 0.817 4.775 3.960 -0.004 0.000 0.293 606 G C -1.076 173.555 174.900 -0.448 0.000 1.421 606 G CA -0.682 43.948 45.100 -0.782 0.000 0.870 606 G HN 0.993 nan 8.290 nan 0.000 0.492 607 G N -0.366 108.322 108.800 -0.187 0.000 2.352 607 G HA2 0.428 4.385 3.960 -0.004 0.000 0.305 607 G HA3 0.428 4.385 3.960 -0.004 0.000 0.305 607 G C -1.371 173.672 174.900 0.239 0.000 1.537 607 G CA -1.028 44.119 45.100 0.079 0.000 0.959 607 G HN 0.600 nan 8.290 nan 0.000 0.668 608 K N -0.144 120.392 120.400 0.226 0.000 2.110 608 K HA 0.761 5.079 4.320 -0.004 0.000 0.263 608 K C 0.195 176.943 176.600 0.246 0.000 0.975 608 K CA -0.258 56.181 56.287 0.252 0.000 0.895 608 K CB 2.091 34.648 32.500 0.094 0.000 1.060 608 K HN 0.863 nan 8.250 nan 0.000 0.448 609 A N 1.397 124.392 122.820 0.291 0.000 2.324 609 A HA 0.658 4.976 4.320 -0.004 0.000 0.330 609 A C -0.522 177.243 177.584 0.302 0.000 1.165 609 A CA -0.742 51.407 52.037 0.186 0.000 0.813 609 A CB 1.091 20.115 19.000 0.040 0.000 1.197 609 A HN 0.771 nan 8.150 nan 0.000 0.484 610 A N 3.389 126.375 122.820 0.276 0.000 2.511 610 A HA 0.495 4.812 4.320 -0.004 0.000 0.242 610 A C -1.401 176.273 177.584 0.151 0.000 1.069 610 A CA -0.919 51.285 52.037 0.277 0.000 0.763 610 A CB -0.362 18.782 19.000 0.239 0.000 1.001 610 A HN 0.597 nan 8.150 nan 0.000 0.498 611 P HA -0.165 nan 4.420 nan 0.000 0.217 611 P C 1.180 178.474 177.300 -0.010 0.000 1.148 611 P CA 2.059 65.103 63.100 -0.093 0.000 0.834 611 P CB 0.225 31.812 31.700 -0.189 0.000 0.783 612 G N -3.078 105.743 108.800 0.034 0.000 3.434 612 G HA2 -0.012 3.945 3.960 -0.004 0.000 0.258 612 G HA3 -0.012 3.945 3.960 -0.004 0.000 0.258 612 G C -0.509 174.431 174.900 0.067 0.000 1.128 612 G CA -0.076 45.048 45.100 0.040 0.000 0.792 612 G HN 0.305 nan 8.290 nan 0.000 0.539 613 Y N 1.135 121.385 120.300 -0.084 0.000 2.717 613 Y HA 0.263 4.810 4.550 -0.004 0.000 0.329 613 Y C 1.582 177.464 175.900 -0.030 0.000 1.017 613 Y CA -1.182 56.840 58.100 -0.130 0.000 1.275 613 Y CB 0.476 38.815 38.460 -0.201 0.000 1.109 613 Y HN 0.327 nan 8.280 nan 0.000 0.511 614 H N 3.522 122.703 119.070 0.185 0.000 2.265 614 H HA -0.280 4.274 4.556 -0.004 0.000 0.295 614 H C 1.997 177.340 175.328 0.025 0.000 1.084 614 H CA 2.978 59.080 56.048 0.091 0.000 1.261 614 H CB 0.205 30.023 29.762 0.094 0.000 1.360 614 H HN 0.729 nan 8.280 nan 0.000 0.487 615 M N 0.301 119.892 119.600 -0.014 0.000 2.149 615 M HA -0.094 4.384 4.480 -0.004 0.000 0.261 615 M C 2.349 178.396 176.300 -0.421 0.000 1.064 615 M CA 1.883 57.078 55.300 -0.174 0.000 1.102 615 M CB -0.752 31.874 32.600 0.044 0.000 1.369 615 M HN 0.409 nan 8.290 nan 0.000 0.408 616 A N -0.485 121.839 122.820 -0.826 0.000 1.933 616 A HA -0.184 4.133 4.320 -0.004 0.000 0.218 616 A C 2.202 179.569 177.584 -0.361 0.000 1.175 616 A CA 1.827 53.403 52.037 -0.769 0.000 0.628 616 A CB -0.615 17.712 19.000 -1.122 0.000 0.814 616 A HN 0.582 nan 8.150 nan 0.000 0.444 617 K N -1.116 119.128 120.400 -0.259 0.000 2.155 617 K HA -0.022 4.295 4.320 -0.004 0.000 0.203 617 K C 1.880 178.416 176.600 -0.106 0.000 1.052 617 K CA 1.138 57.361 56.287 -0.107 0.000 0.948 617 K CB -0.193 32.310 32.500 0.005 0.000 0.728 617 K HN 0.346 nan 8.250 nan 0.000 0.448 618 M N 0.503 119.990 119.600 -0.189 0.000 2.229 618 M HA -0.066 4.412 4.480 -0.004 0.000 0.264 618 M C 2.066 178.281 176.300 -0.142 0.000 1.063 618 M CA 1.348 56.572 55.300 -0.128 0.000 1.114 618 M CB -0.574 31.937 32.600 -0.148 0.000 1.387 618 M HN 0.124 nan 8.290 nan 0.000 0.420 619 I N -0.237 120.215 120.570 -0.197 0.000 2.315 619 I HA -0.284 3.883 4.170 -0.004 0.000 0.248 619 I C 2.277 178.255 176.117 -0.232 0.000 1.117 619 I CA 0.987 62.162 61.300 -0.209 0.000 1.404 619 I CB -0.284 37.594 38.000 -0.203 0.000 1.071 619 I HN 0.167 nan 8.210 nan 0.000 0.419 620 I N 0.735 121.156 120.570 -0.249 0.000 2.226 620 I HA -0.302 3.866 4.170 -0.004 0.000 0.245 620 I C 2.608 178.453 176.117 -0.453 0.000 1.100 620 I CA 1.244 62.314 61.300 -0.383 0.000 1.374 620 I CB -0.316 37.436 38.000 -0.413 0.000 1.057 620 I HN 0.158 nan 8.210 nan 0.000 0.413 621 K N 1.421 121.568 120.400 -0.422 0.000 2.057 621 K HA -0.208 4.109 4.320 -0.004 0.000 0.207 621 K C 1.971 178.408 176.600 -0.270 0.000 1.049 621 K CA 1.532 57.505 56.287 -0.524 0.000 0.931 621 K CB -0.578 31.383 32.500 -0.899 0.000 0.714 621 K HN 0.140 nan 8.250 nan 0.000 0.440 622 L N 0.658 121.731 121.223 -0.250 0.000 2.046 622 L HA -0.029 4.309 4.340 -0.004 0.000 0.208 622 L C 2.000 178.627 176.870 -0.405 0.000 1.077 622 L CA 1.618 56.141 54.840 -0.529 0.000 0.747 622 L CB -0.373 41.245 42.059 -0.735 0.000 0.896 622 L HN 0.280 nan 8.230 nan 0.000 0.432 623 I N -0.583 119.802 120.570 -0.309 0.000 2.163 623 I HA -0.329 3.839 4.170 -0.004 0.000 0.243 623 I C 2.420 178.433 176.117 -0.174 0.000 1.085 623 I CA 1.871 63.044 61.300 -0.211 0.000 1.347 623 I CB -0.895 37.056 38.000 -0.082 0.000 1.044 623 I HN 0.497 nan 8.210 nan 0.000 0.408 624 T N -1.002 113.424 114.554 -0.215 0.000 2.904 624 T HA -0.002 4.346 4.350 -0.004 0.000 0.267 624 T C 1.959 176.596 174.700 -0.105 0.000 1.059 624 T CA 0.831 62.839 62.100 -0.154 0.000 1.137 624 T CB -0.352 68.380 68.868 -0.226 0.000 0.879 624 T HN 0.332 nan 8.240 nan 0.000 0.467 625 A N 1.398 124.150 122.820 -0.113 0.000 1.969 625 A HA 0.187 4.504 4.320 -0.004 0.000 0.218 625 A C 2.344 179.937 177.584 0.015 0.000 1.169 625 A CA 1.083 53.121 52.037 0.003 0.000 0.635 625 A CB -0.749 18.353 19.000 0.169 0.000 0.810 625 A HN 0.596 nan 8.150 nan 0.000 0.445 626 I N -0.478 119.996 120.570 -0.161 0.000 2.252 626 I HA -0.153 4.015 4.170 -0.004 0.000 0.245 626 I C 2.700 178.775 176.117 -0.070 0.000 1.102 626 I CA 1.021 62.192 61.300 -0.215 0.000 1.385 626 I CB -0.595 37.163 38.000 -0.403 0.000 1.064 626 I HN 0.387 nan 8.210 nan 0.000 0.414 627 G N 0.544 109.306 108.800 -0.064 0.000 2.418 627 G HA2 -0.254 3.703 3.960 -0.004 0.000 0.217 627 G HA3 -0.254 3.703 3.960 -0.004 0.000 0.217 627 G C 1.240 176.167 174.900 0.045 0.000 1.158 627 G CA 0.899 45.984 45.100 -0.026 0.000 0.771 627 G HN 0.270 nan 8.290 nan 0.000 0.545 628 D N 0.054 120.505 120.400 0.086 0.000 2.158 628 D HA -0.098 4.540 4.640 -0.004 0.000 0.197 628 D C 2.681 179.109 176.300 0.212 0.000 0.995 628 D CA 0.786 54.889 54.000 0.172 0.000 0.846 628 D CB -0.197 40.644 40.800 0.068 0.000 0.941 628 D HN 0.259 nan 8.370 nan 0.000 0.456 629 V N 0.067 120.049 119.914 0.112 0.000 2.331 629 V HA -0.129 3.988 4.120 -0.004 0.000 0.242 629 V C 2.596 178.690 176.094 -0.000 0.000 1.034 629 V CA 0.725 63.051 62.300 0.044 0.000 1.027 629 V CB -0.313 31.531 31.823 0.036 0.000 0.667 629 V HN 0.023 nan 8.190 nan 0.000 0.457 630 V N 1.090 120.944 119.914 -0.100 0.000 2.343 630 V HA -0.207 3.911 4.120 -0.004 0.000 0.247 630 V C 2.133 178.216 176.094 -0.018 0.000 1.051 630 V CA 1.999 64.238 62.300 -0.103 0.000 1.036 630 V CB -0.891 30.853 31.823 -0.131 0.000 0.654 630 V HN 0.574 nan 8.190 nan 0.000 0.451 631 N N -0.247 118.399 118.700 -0.090 0.000 2.512 631 N HA -0.081 4.656 4.740 -0.004 0.000 0.183 631 N C 1.039 176.279 175.510 -0.450 0.000 1.073 631 N CA 0.856 53.747 53.050 -0.265 0.000 0.911 631 N CB -0.252 38.019 38.487 -0.360 0.000 0.964 631 N HN 0.683 nan 8.380 nan 0.000 0.447 632 H N -1.408 117.670 119.070 0.014 0.000 2.662 632 H HA 0.215 4.769 4.556 -0.004 0.000 0.268 632 H C -0.654 174.691 175.328 0.029 0.000 1.152 632 H CA -0.512 55.544 56.048 0.013 0.000 1.072 632 H CB 0.522 30.285 29.762 0.002 0.000 1.660 632 H HN -0.015 nan 8.280 nan 0.000 0.584 633 D N 1.548 122.023 120.400 0.124 0.000 2.359 633 D HA 0.075 4.713 4.640 -0.004 0.000 0.230 633 D C -1.675 174.675 176.300 0.083 0.000 1.118 633 D CA -2.111 51.973 54.000 0.140 0.000 0.844 633 D CB 1.725 42.684 40.800 0.265 0.000 1.059 633 D HN 0.068 nan 8.370 nan 0.000 0.493 634 P HA -0.174 nan 4.420 nan 0.000 0.217 634 P C 1.555 178.865 177.300 0.017 0.000 1.151 634 P CA 0.629 63.746 63.100 0.029 0.000 0.849 634 P CB 0.406 32.121 31.700 0.025 0.000 0.787 635 V N -0.930 118.997 119.914 0.021 0.000 2.626 635 V HA -0.163 3.955 4.120 -0.004 0.000 0.252 635 V C 2.369 178.457 176.094 -0.010 0.000 1.067 635 V CA 1.494 63.793 62.300 -0.002 0.000 1.081 635 V CB -0.984 30.827 31.823 -0.019 0.000 0.686 635 V HN -0.002 nan 8.190 nan 0.000 0.468 636 V N -0.204 119.720 119.914 0.017 0.000 2.379 636 V HA 0.151 4.269 4.120 -0.004 0.000 0.245 636 V C 1.837 177.926 176.094 -0.008 0.000 1.044 636 V CA 1.483 63.791 62.300 0.014 0.000 1.036 636 V CB -1.109 30.768 31.823 0.090 0.000 0.664 636 V HN 0.717 nan 8.190 nan 0.000 0.453 637 G N 1.687 110.481 108.800 -0.010 0.000 2.556 637 G HA2 -0.373 3.584 3.960 -0.004 0.000 0.283 637 G HA3 -0.373 3.584 3.960 -0.004 0.000 0.283 637 G C 0.235 175.108 174.900 -0.045 0.000 1.177 637 G CA 0.518 45.600 45.100 -0.030 0.000 0.978 637 G HN 0.716 nan 8.290 nan 0.000 0.554 638 D N 0.127 120.501 120.400 -0.043 0.000 2.463 638 D HA 0.313 4.951 4.640 -0.004 0.000 0.224 638 D C 1.713 177.994 176.300 -0.033 0.000 1.174 638 D CA 0.003 53.978 54.000 -0.042 0.000 0.829 638 D CB 0.056 40.836 40.800 -0.034 0.000 0.993 638 D HN 0.591 nan 8.370 nan 0.000 0.497 639 R N -0.656 119.818 120.500 -0.044 0.000 2.200 639 R HA 0.289 4.627 4.340 -0.004 0.000 0.208 639 R C -0.084 176.171 176.300 -0.074 0.000 1.033 639 R CA 0.257 56.313 56.100 -0.072 0.000 1.000 639 R CB 0.305 30.548 30.300 -0.094 0.000 0.906 639 R HN 0.123 nan 8.270 nan 0.000 0.462 640 L N 0.607 121.802 121.223 -0.047 0.000 2.562 640 L HA 0.411 4.748 4.340 -0.004 0.000 0.266 640 L C -1.686 175.164 176.870 -0.034 0.000 0.949 640 L CA -0.549 54.266 54.840 -0.042 0.000 0.879 640 L CB 1.735 43.782 42.059 -0.021 0.000 1.278 640 L HN -0.154 nan 8.230 nan 0.000 0.404 641 R N 3.934 124.405 120.500 -0.047 0.000 2.628 641 R HA 0.762 5.100 4.340 -0.004 0.000 0.288 641 R C -1.566 174.695 176.300 -0.065 0.000 0.980 641 R CA -0.811 55.255 56.100 -0.056 0.000 0.891 641 R CB 2.379 32.648 30.300 -0.052 0.000 1.188 641 R HN 0.402 nan 8.270 nan 0.000 0.450 642 V N 4.815 124.690 119.914 -0.065 0.000 2.326 642 V HA 0.416 4.533 4.120 -0.004 0.000 0.281 642 V C -0.360 175.707 176.094 -0.045 0.000 1.015 642 V CA -0.694 61.568 62.300 -0.063 0.000 0.823 642 V CB 1.358 33.139 31.823 -0.070 0.000 1.009 642 V HN 0.504 nan 8.190 nan 0.000 0.436 643 I N 4.921 125.461 120.570 -0.049 0.000 2.433 643 I HA 0.452 4.619 4.170 -0.004 0.000 0.292 643 I C -0.576 175.535 176.117 -0.010 0.000 1.001 643 I CA -0.528 60.754 61.300 -0.029 0.000 1.119 643 I CB 1.758 39.720 38.000 -0.064 0.000 1.289 643 I HN 0.539 nan 8.210 nan 0.000 0.438 644 F N 7.144 127.037 119.950 -0.095 0.000 2.361 644 F HA 0.495 5.020 4.527 -0.004 0.000 0.364 644 F C -0.616 175.127 175.800 -0.095 0.000 1.120 644 F CA -0.786 57.157 58.000 -0.094 0.000 1.102 644 F CB 0.611 39.554 39.000 -0.096 0.000 1.183 644 F HN 0.138 nan 8.300 nan 0.000 0.476 645 L N 5.923 126.741 121.223 -0.674 0.000 2.485 645 L HA 0.132 4.469 4.340 -0.004 0.000 0.279 645 L C 0.376 176.954 176.870 -0.488 0.000 1.124 645 L CA 0.247 54.830 54.840 -0.428 0.000 0.888 645 L CB -0.032 41.873 42.059 -0.256 0.000 1.217 645 L HN 0.619 nan 8.230 nan 0.000 0.464 646 E N 3.276 123.348 120.200 -0.212 0.000 2.373 646 E HA -0.009 4.339 4.350 -0.004 0.000 0.267 646 E C 0.507 177.172 176.600 0.108 0.000 1.032 646 E CA -0.262 56.145 56.400 0.013 0.000 0.889 646 E CB 0.315 29.946 29.700 -0.115 0.000 0.984 646 E HN 0.541 nan 8.360 nan 0.000 0.425 647 N N 2.585 121.405 118.700 0.200 0.000 2.725 647 N HA -0.285 4.453 4.740 -0.004 0.000 0.251 647 N C -1.519 174.095 175.510 0.173 0.000 1.031 647 N CA 0.526 53.693 53.050 0.196 0.000 0.720 647 N CB -1.546 37.073 38.487 0.220 0.000 0.930 647 N HN 0.477 nan 8.380 nan 0.000 0.543 648 Y N 1.470 121.785 120.300 0.025 0.000 2.721 648 Y HA 0.140 4.687 4.550 -0.004 0.000 0.329 648 Y C 1.149 177.072 175.900 0.038 0.000 1.211 648 Y CA 0.666 58.767 58.100 0.003 0.000 1.512 648 Y CB 0.284 38.714 38.460 -0.049 0.000 1.249 648 Y HN 0.380 nan 8.280 nan 0.000 0.549 649 R N 2.433 122.614 120.500 -0.531 0.000 2.762 649 R HA 0.478 4.816 4.340 -0.004 0.000 0.271 649 R C -0.354 175.614 176.300 -0.554 0.000 1.038 649 R CA -0.598 55.259 56.100 -0.406 0.000 0.906 649 R CB 0.315 30.577 30.300 -0.063 0.000 1.259 649 R HN 0.342 nan 8.270 nan 0.000 0.457 650 V N 1.084 120.705 119.914 -0.488 0.000 2.252 650 V HA -0.297 3.820 4.120 -0.004 0.000 0.249 650 V C 2.589 178.559 176.094 -0.207 0.000 1.056 650 V CA 2.848 64.918 62.300 -0.384 0.000 1.022 650 V CB -0.850 30.701 31.823 -0.453 0.000 0.641 650 V HN 0.934 nan 8.190 nan 0.000 0.445 651 S N 0.133 115.738 115.700 -0.160 0.000 2.399 651 S HA -0.191 4.276 4.470 -0.004 0.000 0.231 651 S C 1.920 176.471 174.600 -0.082 0.000 1.022 651 S CA 1.747 59.882 58.200 -0.109 0.000 0.983 651 S CB -0.550 62.618 63.200 -0.052 0.000 0.803 651 S HN 0.400 nan 8.310 nan 0.000 0.480 652 L N 1.851 123.031 121.223 -0.071 0.000 2.179 652 L HA 0.352 4.690 4.340 -0.004 0.000 0.208 652 L C 2.636 179.514 176.870 0.013 0.000 1.096 652 L CA 1.316 56.156 54.840 -0.000 0.000 0.779 652 L CB -1.249 40.871 42.059 0.102 0.000 0.922 652 L HN 0.344 nan 8.230 nan 0.000 0.443 653 A N -0.627 122.179 122.820 -0.024 0.000 1.933 653 A HA -0.225 4.092 4.320 -0.004 0.000 0.218 653 A C 2.113 179.755 177.584 0.097 0.000 1.175 653 A CA 1.776 53.876 52.037 0.104 0.000 0.628 653 A CB -0.595 18.455 19.000 0.082 0.000 0.814 653 A HN 0.597 nan 8.150 nan 0.000 0.444 654 E N -0.406 119.824 120.200 0.050 0.000 2.265 654 E HA -0.157 4.190 4.350 -0.004 0.000 0.196 654 E C 1.835 178.392 176.600 -0.071 0.000 0.996 654 E CA 1.135 57.518 56.400 -0.028 0.000 0.832 654 E CB -0.045 29.549 29.700 -0.177 0.000 0.756 654 E HN 0.623 nan 8.360 nan 0.000 0.491 655 K N 0.047 120.385 120.400 -0.103 0.000 2.141 655 K HA 0.029 4.347 4.320 -0.004 0.000 0.202 655 K C 2.164 178.552 176.600 -0.353 0.000 1.045 655 K CA 0.420 56.623 56.287 -0.141 0.000 0.971 655 K CB 0.026 32.448 32.500 -0.130 0.000 0.795 655 K HN -0.044 nan 8.250 nan 0.000 0.459 656 V N 1.954 121.564 119.914 -0.506 0.000 2.488 656 V HA -0.129 3.989 4.120 -0.004 0.000 0.246 656 V C 1.879 177.721 176.094 -0.420 0.000 1.046 656 V CA 1.234 63.022 62.300 -0.853 0.000 1.053 656 V CB -0.179 31.278 31.823 -0.610 0.000 0.679 656 V HN 0.240 nan 8.190 nan 0.000 0.458 657 I N 0.645 121.028 120.570 -0.311 0.000 2.179 657 I HA -0.132 4.035 4.170 -0.004 0.000 0.242 657 I C -0.235 175.770 176.117 -0.185 0.000 1.088 657 I CA 1.647 62.707 61.300 -0.400 0.000 1.357 657 I CB -1.511 36.137 38.000 -0.586 0.000 1.051 657 I HN 0.370 nan 8.210 nan 0.000 0.409 658 P HA -0.102 nan 4.420 nan 0.000 0.222 658 P C 0.979 178.281 177.300 0.004 0.000 1.147 658 P CA 1.184 64.263 63.100 -0.036 0.000 0.790 658 P CB 0.059 31.744 31.700 -0.025 0.000 0.780 659 A N -1.191 121.616 122.820 -0.022 0.000 2.275 659 A HA 0.466 4.784 4.320 -0.004 0.000 0.212 659 A C 1.146 178.860 177.584 0.217 0.000 1.201 659 A CA 0.084 52.175 52.037 0.089 0.000 0.843 659 A CB -0.678 18.386 19.000 0.106 0.000 0.873 659 A HN 0.190 nan 8.150 nan 0.000 0.492 660 A N -0.217 122.717 122.820 0.188 0.000 2.340 660 A HA 0.486 4.803 4.320 -0.004 0.000 0.268 660 A C 0.368 178.109 177.584 0.262 0.000 1.100 660 A CA -0.173 52.038 52.037 0.290 0.000 0.803 660 A CB 0.382 19.641 19.000 0.432 0.000 1.043 660 A HN 0.266 nan 8.150 nan 0.000 0.488 661 D N 0.357 120.908 120.400 0.252 0.000 2.431 661 D HA 0.134 4.771 4.640 -0.004 0.000 0.235 661 D C 0.025 176.535 176.300 0.350 0.000 0.980 661 D CA 0.699 54.889 54.000 0.316 0.000 0.912 661 D CB 0.274 41.160 40.800 0.144 0.000 1.056 661 D HN 0.368 nan 8.370 nan 0.000 0.494 662 L N 1.132 122.446 121.223 0.151 0.000 2.356 662 L HA 0.306 4.644 4.340 -0.004 0.000 0.277 662 L C -0.763 175.985 176.870 -0.204 0.000 0.996 662 L CA -0.295 54.557 54.840 0.019 0.000 0.822 662 L CB 2.055 44.098 42.059 -0.027 0.000 1.256 662 L HN -0.166 nan 8.230 nan 0.000 0.413 663 S N 4.173 119.666 115.700 -0.345 0.000 2.429 663 S HA 0.337 4.804 4.470 -0.004 0.000 0.302 663 S C -0.452 173.872 174.600 -0.459 0.000 1.115 663 S CA -0.692 57.058 58.200 -0.749 0.000 1.095 663 S CB 0.699 63.406 63.200 -0.821 0.000 0.987 663 S HN 0.547 nan 8.310 nan 0.000 0.474 664 E N 4.052 123.990 120.200 -0.436 0.000 2.089 664 E HA 0.228 4.576 4.350 -0.004 0.000 0.284 664 E C -0.583 175.903 176.600 -0.190 0.000 1.023 664 E CA -0.453 55.816 56.400 -0.219 0.000 0.819 664 E CB 1.066 30.667 29.700 -0.166 0.000 1.076 664 E HN 0.589 nan 8.360 nan 0.000 0.396 665 Q N 2.760 122.504 119.800 -0.093 0.000 3.122 665 Q HA 0.267 4.605 4.340 -0.004 0.000 0.282 665 Q C 0.565 176.558 176.000 -0.012 0.000 0.947 665 Q CA -0.124 55.640 55.803 -0.064 0.000 0.812 665 Q CB 0.246 28.960 28.738 -0.040 0.000 1.333 665 Q HN 0.616 nan 8.270 nan 0.000 0.430 666 I N -1.619 118.930 120.570 -0.034 0.000 3.637 666 I HA 0.279 4.446 4.170 -0.004 0.000 0.342 666 I C 0.397 176.467 176.117 -0.078 0.000 1.545 666 I CA -0.666 60.627 61.300 -0.013 0.000 1.126 666 I CB 0.314 38.310 38.000 -0.007 0.000 1.375 666 I HN -0.010 nan 8.210 nan 0.000 0.467 667 S N 0.328 115.982 115.700 -0.078 0.000 2.573 667 S HA 0.190 4.657 4.470 -0.004 0.000 0.277 667 S C 0.560 175.140 174.600 -0.034 0.000 1.346 667 S CA -0.304 57.866 58.200 -0.051 0.000 1.034 667 S CB 0.408 63.629 63.200 0.033 0.000 0.879 667 S HN 0.393 nan 8.310 nan 0.000 0.528 668 T N 2.646 117.209 114.554 0.016 0.000 2.902 668 T HA 0.394 4.741 4.350 -0.004 0.000 0.301 668 T C 0.741 175.448 174.700 0.012 0.000 1.012 668 T CA 0.222 62.341 62.100 0.031 0.000 1.151 668 T CB 0.030 68.995 68.868 0.160 0.000 0.946 668 T HN 1.001 nan 8.240 nan 0.000 0.542 669 A N 2.806 125.603 122.820 -0.040 0.000 2.580 669 A HA 0.433 4.750 4.320 -0.004 0.000 0.244 669 A C 1.639 179.214 177.584 -0.015 0.000 1.045 669 A CA 0.345 52.355 52.037 -0.045 0.000 0.761 669 A CB -0.937 18.024 19.000 -0.066 0.000 0.962 669 A HN 1.712 nan 8.150 nan 0.000 0.512 670 G N 1.486 110.276 108.800 -0.017 0.000 2.176 670 G HA2 -0.231 3.727 3.960 -0.004 0.000 0.232 670 G HA3 -0.231 3.727 3.960 -0.004 0.000 0.232 670 G C 0.826 175.711 174.900 -0.025 0.000 0.986 670 G CA 1.096 46.188 45.100 -0.014 0.000 0.643 670 G HN 1.999 nan 8.290 nan 0.000 0.522 671 T N -2.635 111.897 114.554 -0.036 0.000 3.018 671 T HA 0.413 4.761 4.350 -0.004 0.000 0.246 671 T C 0.727 175.254 174.700 -0.288 0.000 1.026 671 T CA 1.028 63.034 62.100 -0.156 0.000 1.081 671 T CB 0.597 69.407 68.868 -0.096 0.000 0.970 671 T HN 0.274 nan 8.240 nan 0.000 0.475 672 E N 1.523 121.687 120.200 -0.060 0.000 2.001 672 E HA 0.674 5.022 4.350 -0.004 0.000 0.279 672 E C 1.198 177.744 176.600 -0.090 0.000 1.045 672 E CA 0.032 56.442 56.400 0.016 0.000 0.833 672 E CB 0.744 30.515 29.700 0.119 0.000 1.077 672 E HN 0.328 nan 8.360 nan 0.000 0.397 673 A N 3.401 126.094 122.820 -0.211 0.000 1.915 673 A HA -0.255 4.062 4.320 -0.004 0.000 0.220 673 A C 1.978 179.430 177.584 -0.219 0.000 1.198 673 A CA 2.427 54.207 52.037 -0.428 0.000 0.647 673 A CB -0.295 18.265 19.000 -0.735 0.000 0.825 673 A HN 0.610 nan 8.150 nan 0.000 0.456 674 S N -4.196 111.440 115.700 -0.107 0.000 4.193 674 S HA 0.452 4.920 4.470 -0.004 0.000 0.211 674 S C 0.643 175.231 174.600 -0.019 0.000 1.162 674 S CA 1.366 59.547 58.200 -0.032 0.000 1.039 674 S CB -0.091 63.113 63.200 0.008 0.000 1.371 674 S HN 2.333 nan 8.310 nan 0.000 0.550 675 G N 0.306 109.099 108.800 -0.011 0.000 2.719 675 G HA2 -0.013 3.944 3.960 -0.004 0.000 0.686 675 G HA3 -0.013 3.944 3.960 -0.004 0.000 0.686 675 G C 0.220 175.099 174.900 -0.034 0.000 1.201 675 G CA 0.452 45.543 45.100 -0.016 0.000 0.768 675 G HN 1.324 nan 8.290 nan 0.000 0.629 676 T N -1.931 112.588 114.554 -0.059 0.000 3.010 676 T HA 0.373 4.721 4.350 -0.004 0.000 0.253 676 T C 2.367 176.966 174.700 -0.168 0.000 0.939 676 T CA 1.244 63.281 62.100 -0.105 0.000 0.910 676 T CB 0.313 69.108 68.868 -0.121 0.000 1.226 676 T HN 1.879 nan 8.240 nan 0.000 0.508 677 G N 3.073 111.800 108.800 -0.122 0.000 2.422 677 G HA2 -0.252 3.705 3.960 -0.004 0.000 0.218 677 G HA3 -0.252 3.705 3.960 -0.004 0.000 0.218 677 G C 1.453 176.396 174.900 0.072 0.000 1.146 677 G CA 1.147 46.194 45.100 -0.089 0.000 0.769 677 G HN 0.830 nan 8.290 nan 0.000 0.547 678 N N 0.195 118.919 118.700 0.040 0.000 2.104 678 N HA -0.155 4.583 4.740 -0.004 0.000 0.190 678 N C 2.211 177.724 175.510 0.004 0.000 1.024 678 N CA 1.363 54.442 53.050 0.048 0.000 0.853 678 N CB -0.370 38.101 38.487 -0.026 0.000 1.008 678 N HN 0.346 nan 8.380 nan 0.000 0.424 679 M N 0.811 120.348 119.600 -0.106 0.000 2.175 679 M HA -0.032 4.445 4.480 -0.004 0.000 0.264 679 M C 1.993 178.245 176.300 -0.080 0.000 1.063 679 M CA 1.443 56.662 55.300 -0.135 0.000 1.119 679 M CB -0.123 32.405 32.600 -0.120 0.000 1.377 679 M HN 0.117 nan 8.290 nan 0.000 0.415 680 K N 0.086 120.372 120.400 -0.191 0.000 2.057 680 K HA -0.109 4.208 4.320 -0.004 0.000 0.207 680 K C 1.719 178.202 176.600 -0.195 0.000 1.049 680 K CA 1.375 57.485 56.287 -0.296 0.000 0.931 680 K CB -0.289 31.807 32.500 -0.674 0.000 0.714 680 K HN 0.165 nan 8.250 nan 0.000 0.440 681 F N 1.123 121.007 119.950 -0.110 0.000 2.186 681 F HA -0.097 4.427 4.527 -0.005 0.000 0.299 681 F C 2.552 178.329 175.800 -0.040 0.000 1.090 681 F CA 1.117 59.077 58.000 -0.067 0.000 1.307 681 F CB -0.277 38.672 39.000 -0.085 0.000 1.019 681 F HN -0.007 nan 8.300 nan 0.000 0.489 682 M N -0.458 119.227 119.600 0.141 0.000 2.117 682 M HA -0.184 4.294 4.480 -0.004 0.000 0.262 682 M C 2.073 178.429 176.300 0.092 0.000 1.065 682 M CA 1.573 56.929 55.300 0.094 0.000 1.114 682 M CB -0.222 32.428 32.600 0.082 0.000 1.361 682 M HN 0.256 nan 8.290 nan 0.000 0.408 683 L N 0.817 122.092 121.223 0.087 0.000 2.291 683 L HA -0.062 4.276 4.340 -0.004 0.000 0.214 683 L C 1.264 178.181 176.870 0.079 0.000 1.120 683 L CA 1.547 56.446 54.840 0.098 0.000 0.799 683 L CB -0.588 41.540 42.059 0.114 0.000 0.925 683 L HN 0.347 nan 8.230 nan 0.000 0.446 684 N N -0.075 118.662 118.700 0.062 0.000 2.251 684 N HA 0.168 4.906 4.740 -0.004 0.000 0.217 684 N C 0.842 176.390 175.510 0.063 0.000 1.124 684 N CA 0.783 53.864 53.050 0.051 0.000 0.843 684 N CB 0.510 39.006 38.487 0.014 0.000 1.024 684 N HN 0.404 nan 8.380 nan 0.000 0.501 685 G N 0.481 109.322 108.800 0.068 0.000 2.142 685 G HA2 -0.190 3.767 3.960 -0.004 0.000 0.225 685 G HA3 -0.190 3.767 3.960 -0.004 0.000 0.225 685 G C -0.057 174.909 174.900 0.111 0.000 1.015 685 G CA 0.142 45.283 45.100 0.068 0.000 0.716 685 G HN 0.526 nan 8.290 nan 0.000 0.508 686 A N -0.346 122.548 122.820 0.122 0.000 2.340 686 A HA 0.893 5.210 4.320 -0.004 0.000 0.331 686 A C 0.286 177.871 177.584 0.003 0.000 1.140 686 A CA -0.677 51.450 52.037 0.149 0.000 0.801 686 A CB 1.185 20.336 19.000 0.252 0.000 1.234 686 A HN 0.693 nan 8.150 nan 0.000 0.469 687 L N 0.801 121.984 121.223 -0.066 0.000 2.421 687 L HA 0.485 4.823 4.340 -0.004 0.000 0.263 687 L C 0.174 176.912 176.870 -0.221 0.000 1.122 687 L CA -0.364 54.335 54.840 -0.235 0.000 0.804 687 L CB 1.604 43.433 42.059 -0.383 0.000 1.150 687 L HN 0.703 nan 8.230 nan 0.000 0.457 688 T N 2.575 116.869 114.554 -0.433 0.000 2.797 688 T HA 0.483 4.831 4.350 -0.004 0.000 0.279 688 T C -0.499 174.050 174.700 -0.251 0.000 0.991 688 T CA -0.279 61.544 62.100 -0.462 0.000 0.979 688 T CB 1.681 70.072 68.868 -0.795 0.000 0.943 688 T HN 0.365 nan 8.240 nan 0.000 0.444 689 I N 2.751 123.277 120.570 -0.073 0.000 2.362 689 I HA 0.735 4.903 4.170 -0.004 0.000 0.289 689 I C 0.012 176.265 176.117 0.228 0.000 0.994 689 I CA 0.046 61.420 61.300 0.123 0.000 1.158 689 I CB 0.411 38.416 38.000 0.009 0.000 1.315 689 I HN 0.796 nan 8.210 nan 0.000 0.451 690 G N 3.931 112.955 108.800 0.374 0.000 2.559 690 G HA2 0.451 4.409 3.960 -0.004 0.000 0.291 690 G HA3 0.451 4.409 3.960 -0.004 0.000 0.291 690 G C -0.953 173.925 174.900 -0.038 0.000 1.424 690 G CA -0.373 44.882 45.100 0.258 0.000 0.786 690 G HN 0.579 nan 8.290 nan 0.000 0.485 691 T N -1.457 112.939 114.554 -0.263 0.000 2.874 691 T HA 0.526 4.874 4.350 -0.004 0.000 0.281 691 T C 0.686 175.281 174.700 -0.175 0.000 0.994 691 T CA -0.689 61.159 62.100 -0.420 0.000 1.015 691 T CB 1.178 69.805 68.868 -0.401 0.000 1.028 691 T HN 0.261 nan 8.240 nan 0.000 0.523 692 M N 2.889 122.391 119.600 -0.164 0.000 3.237 692 M HA 0.325 4.803 4.480 -0.004 0.000 0.266 692 M C -0.464 175.786 176.300 -0.083 0.000 1.456 692 M CA -0.077 55.163 55.300 -0.100 0.000 1.593 692 M CB -1.691 30.856 32.600 -0.089 0.000 1.129 692 M HN 0.735 nan 8.290 nan 0.000 0.547 693 D N 0.066 120.425 120.400 -0.069 0.000 2.671 693 D HA 0.676 5.314 4.640 -0.004 0.000 0.232 693 D C 0.709 176.989 176.300 -0.033 0.000 1.114 693 D CA 0.691 54.663 54.000 -0.047 0.000 0.858 693 D CB 1.738 42.511 40.800 -0.045 0.000 1.544 693 D HN 0.608 nan 8.370 nan 0.000 0.471 694 G N 1.755 110.543 108.800 -0.020 0.000 2.627 694 G HA2 -0.255 3.702 3.960 -0.004 0.000 0.312 694 G HA3 -0.255 3.702 3.960 -0.004 0.000 0.312 694 G C 1.047 175.940 174.900 -0.010 0.000 1.299 694 G CA 1.072 46.165 45.100 -0.012 0.000 0.989 694 G HN 1.086 nan 8.290 nan 0.000 0.547 695 A N -0.295 122.515 122.820 -0.016 0.000 2.209 695 A HA 0.074 4.392 4.320 -0.004 0.000 0.212 695 A C 2.109 179.634 177.584 -0.099 0.000 1.158 695 A CA 1.901 53.923 52.037 -0.024 0.000 0.742 695 A CB -0.465 18.513 19.000 -0.038 0.000 0.790 695 A HN 0.611 nan 8.150 nan 0.000 0.472 696 N N 0.424 119.076 118.700 -0.080 0.000 2.149 696 N HA -0.143 4.594 4.740 -0.004 0.000 0.188 696 N C 1.609 177.005 175.510 -0.189 0.000 1.019 696 N CA 1.562 54.561 53.050 -0.085 0.000 0.857 696 N CB -0.574 37.913 38.487 0.000 0.000 0.997 696 N HN 0.290 nan 8.380 nan 0.000 0.426 697 V N 1.360 121.201 119.914 -0.121 0.000 2.287 697 V HA -0.223 3.894 4.120 -0.004 0.000 0.248 697 V C 1.948 177.968 176.094 -0.124 0.000 1.053 697 V CA 1.720 63.946 62.300 -0.125 0.000 1.027 697 V CB -0.506 31.278 31.823 -0.066 0.000 0.646 697 V HN 0.364 nan 8.190 nan 0.000 0.447 698 E N -0.609 119.571 120.200 -0.033 0.000 2.152 698 E HA -0.132 4.215 4.350 -0.004 0.000 0.192 698 E C 2.205 178.898 176.600 0.155 0.000 0.983 698 E CA 1.039 57.491 56.400 0.087 0.000 0.818 698 E CB -0.190 29.649 29.700 0.231 0.000 0.758 698 E HN 0.544 nan 8.360 nan 0.000 0.467 699 M N 0.498 120.066 119.600 -0.053 0.000 2.132 699 M HA -0.131 4.347 4.480 -0.004 0.000 0.263 699 M C 2.482 178.510 176.300 -0.452 0.000 1.065 699 M CA 1.500 56.686 55.300 -0.189 0.000 1.122 699 M CB -0.161 32.214 32.600 -0.375 0.000 1.365 699 M HN 0.140 nan 8.290 nan 0.000 0.411 700 A N -0.258 122.032 122.820 -0.883 0.000 1.930 700 A HA -0.197 4.121 4.320 -0.004 0.000 0.217 700 A C 1.998 179.371 177.584 -0.352 0.000 1.175 700 A CA 1.783 53.252 52.037 -0.948 0.000 0.627 700 A CB -0.742 17.759 19.000 -0.833 0.000 0.815 700 A HN 0.565 nan 8.150 nan 0.000 0.443 701 E N -0.345 119.726 120.200 -0.215 0.000 2.077 701 E HA -0.211 4.136 4.350 -0.004 0.000 0.193 701 E C 1.783 178.349 176.600 -0.056 0.000 0.989 701 E CA 1.243 57.582 56.400 -0.102 0.000 0.800 701 E CB -0.061 29.602 29.700 -0.061 0.000 0.746 701 E HN 0.553 nan 8.360 nan 0.000 0.452 702 E N 0.066 120.258 120.200 -0.012 0.000 2.072 702 E HA -0.135 4.213 4.350 -0.004 0.000 0.191 702 E C 1.848 178.466 176.600 0.029 0.000 0.985 702 E CA 1.113 57.531 56.400 0.029 0.000 0.801 702 E CB -0.186 29.586 29.700 0.120 0.000 0.750 702 E HN 0.338 nan 8.360 nan 0.000 0.452 703 A N 0.374 123.212 122.820 0.031 0.000 2.072 703 A HA 0.320 4.638 4.320 -0.004 0.000 0.216 703 A C 1.062 178.657 177.584 0.019 0.000 1.156 703 A CA 1.137 53.209 52.037 0.058 0.000 0.701 703 A CB 0.016 19.109 19.000 0.155 0.000 0.816 703 A HN 0.260 nan 8.150 nan 0.000 0.458 704 G N -0.524 108.261 108.800 -0.026 0.000 3.225 704 G HA2 -0.066 3.891 3.960 -0.004 0.000 0.686 704 G HA3 -0.066 3.891 3.960 -0.004 0.000 0.686 704 G C -0.068 174.810 174.900 -0.037 0.000 1.105 704 G CA -0.019 45.061 45.100 -0.033 0.000 0.831 704 G HN 0.250 nan 8.290 nan 0.000 0.578 705 E N 0.721 120.888 120.200 -0.055 0.000 2.209 705 E HA -0.176 4.171 4.350 -0.004 0.000 0.196 705 E C 2.156 178.741 176.600 -0.024 0.000 0.993 705 E CA 1.274 57.649 56.400 -0.041 0.000 0.819 705 E CB 0.112 29.785 29.700 -0.044 0.000 0.745 705 E HN 0.769 nan 8.360 nan 0.000 0.477 706 E N 0.867 121.041 120.200 -0.044 0.000 2.511 706 E HA -0.107 4.240 4.350 -0.004 0.000 0.196 706 E C 0.636 177.154 176.600 -0.136 0.000 1.066 706 E CA 0.526 56.879 56.400 -0.077 0.000 0.871 706 E CB -0.033 29.634 29.700 -0.055 0.000 0.863 706 E HN 0.166 nan 8.360 nan 0.000 0.520 707 N N -0.201 118.443 118.700 -0.094 0.000 2.235 707 N HA 0.171 4.908 4.740 -0.004 0.000 0.231 707 N C -1.214 174.223 175.510 -0.123 0.000 1.177 707 N CA -0.053 52.915 53.050 -0.137 0.000 0.874 707 N CB 0.371 38.833 38.487 -0.042 0.000 1.097 707 N HN 0.022 nan 8.380 nan 0.000 0.518 708 F N -0.365 119.369 119.950 -0.359 0.000 2.588 708 F HA 0.440 4.964 4.527 -0.005 0.000 0.314 708 F C -0.748 174.819 175.800 -0.387 0.000 1.069 708 F CA -1.101 56.724 58.000 -0.291 0.000 0.931 708 F CB 1.322 40.246 39.000 -0.126 0.000 1.260 708 F HN -0.221 nan 8.300 nan 0.000 0.465 709 F N 5.134 125.083 119.950 -0.001 0.000 2.359 709 F HA 0.373 4.898 4.527 -0.004 0.000 0.355 709 F C -0.279 175.644 175.800 0.206 0.000 1.132 709 F CA -0.595 57.440 58.000 0.059 0.000 1.246 709 F CB -0.095 38.882 39.000 -0.038 0.000 1.569 709 F HN -0.015 nan 8.300 nan 0.000 0.561 710 I N 3.768 124.542 120.570 0.341 0.000 2.440 710 I HA 0.374 4.542 4.170 -0.004 0.000 0.294 710 I C -0.041 176.274 176.117 0.329 0.000 0.995 710 I CA -0.651 60.824 61.300 0.291 0.000 1.306 710 I CB 0.683 38.776 38.000 0.155 0.000 1.407 710 I HN 0.351 nan 8.210 nan 0.000 0.501 711 F N 2.195 122.210 119.950 0.108 0.000 2.779 711 F HA 0.834 5.358 4.527 -0.005 0.000 0.316 711 F C -0.005 175.835 175.800 0.067 0.000 1.164 711 F CA -0.478 57.576 58.000 0.090 0.000 0.924 711 F CB 0.956 40.022 39.000 0.110 0.000 1.348 711 F HN 0.820 nan 8.300 nan 0.000 0.467 712 G N 0.908 109.732 108.800 0.039 0.000 2.828 712 G HA2 -0.096 3.862 3.960 -0.004 0.000 0.463 712 G HA3 -0.096 3.862 3.960 -0.004 0.000 0.463 712 G C -0.780 174.071 174.900 -0.083 0.000 1.394 712 G CA -0.513 44.541 45.100 -0.077 0.000 0.862 712 G HN 0.960 nan 8.290 nan 0.000 0.540 713 M N 0.653 120.222 119.600 -0.052 0.000 2.252 713 M HA 0.275 4.752 4.480 -0.004 0.000 0.333 713 M C 1.191 177.449 176.300 -0.069 0.000 1.111 713 M CA 0.113 55.394 55.300 -0.031 0.000 1.140 713 M CB 0.317 32.910 32.600 -0.013 0.000 1.538 713 M HN 0.525 nan 8.290 nan 0.000 0.448 714 R N 1.253 121.727 120.500 -0.042 0.000 2.608 714 R HA 0.336 4.673 4.340 -0.004 0.000 0.255 714 R C 1.187 177.465 176.300 -0.036 0.000 1.086 714 R CA -0.617 55.454 56.100 -0.048 0.000 1.125 714 R CB 0.193 30.473 30.300 -0.034 0.000 1.193 714 R HN 0.571 nan 8.270 nan 0.000 0.553 715 V N 1.527 121.419 119.914 -0.036 0.000 2.324 715 V HA -0.283 3.835 4.120 -0.004 0.000 0.250 715 V C 1.852 177.934 176.094 -0.020 0.000 1.060 715 V CA 2.049 64.332 62.300 -0.029 0.000 1.042 715 V CB -0.458 31.347 31.823 -0.030 0.000 0.650 715 V HN 0.624 nan 8.190 nan 0.000 0.450 716 E N 0.183 120.373 120.200 -0.017 0.000 2.085 716 E HA -0.194 4.154 4.350 -0.004 0.000 0.194 716 E C 1.974 178.575 176.600 0.002 0.000 0.994 716 E CA 1.454 57.849 56.400 -0.008 0.000 0.801 716 E CB -0.423 29.273 29.700 -0.006 0.000 0.743 716 E HN 0.619 nan 8.360 nan 0.000 0.453 717 D N -0.210 120.192 120.400 0.005 0.000 2.117 717 D HA -0.104 4.533 4.640 -0.004 0.000 0.197 717 D C 1.986 178.298 176.300 0.020 0.000 0.987 717 D CA 0.857 54.869 54.000 0.020 0.000 0.829 717 D CB -0.142 40.672 40.800 0.023 0.000 0.961 717 D HN 0.060 nan 8.370 nan 0.000 0.460 718 V N 1.859 121.773 119.914 -0.000 0.000 2.343 718 V HA -0.202 3.915 4.120 -0.004 0.000 0.247 718 V C 1.965 178.057 176.094 -0.003 0.000 1.051 718 V CA 1.619 63.911 62.300 -0.013 0.000 1.036 718 V CB -0.372 31.433 31.823 -0.029 0.000 0.654 718 V HN 0.061 nan 8.190 nan 0.000 0.451 719 D N -0.167 120.233 120.400 -0.001 0.000 2.117 719 D HA -0.157 4.480 4.640 -0.004 0.000 0.197 719 D C 2.384 178.695 176.300 0.018 0.000 0.987 719 D CA 1.212 55.213 54.000 0.003 0.000 0.829 719 D CB -0.227 40.571 40.800 -0.003 0.000 0.961 719 D HN 0.345 nan 8.370 nan 0.000 0.460 720 R N 0.258 120.773 120.500 0.026 0.000 2.080 720 R HA -0.074 4.264 4.340 -0.004 0.000 0.236 720 R C 2.563 178.899 176.300 0.059 0.000 1.137 720 R CA 0.682 56.806 56.100 0.040 0.000 0.943 720 R CB -0.488 29.839 30.300 0.045 0.000 0.846 720 R HN 0.185 nan 8.270 nan 0.000 0.431 721 L N 0.695 121.962 121.223 0.073 0.000 2.079 721 L HA -0.243 4.095 4.340 -0.004 0.000 0.210 721 L C 1.529 178.464 176.870 0.109 0.000 1.081 721 L CA 1.404 56.314 54.840 0.117 0.000 0.752 721 L CB -0.319 41.818 42.059 0.130 0.000 0.896 721 L HN 0.292 nan 8.230 nan 0.000 0.433 722 D N -0.924 119.515 120.400 0.064 0.000 2.149 722 D HA -0.161 4.477 4.640 -0.004 0.000 0.201 722 D C 2.289 178.621 176.300 0.053 0.000 0.972 722 D CA 0.805 54.837 54.000 0.054 0.000 0.835 722 D CB -0.025 40.787 40.800 0.019 0.000 0.966 722 D HN 0.389 nan 8.370 nan 0.000 0.476 723 Q N 0.567 120.394 119.800 0.045 0.000 2.084 723 Q HA -0.101 4.237 4.340 -0.004 0.000 0.202 723 Q C 2.247 178.276 176.000 0.048 0.000 0.978 723 Q CA 0.776 56.602 55.803 0.038 0.000 0.844 723 Q CB -0.331 28.426 28.738 0.032 0.000 0.898 723 Q HN 0.319 nan 8.270 nan 0.000 0.426 724 R N 0.131 120.669 120.500 0.062 0.000 2.070 724 R HA -0.033 4.304 4.340 -0.004 0.000 0.233 724 R C 0.139 176.485 176.300 0.076 0.000 1.137 724 R CA 1.220 57.361 56.100 0.069 0.000 0.945 724 R CB -0.009 30.342 30.300 0.086 0.000 0.845 724 R HN 0.383 nan 8.270 nan 0.000 0.430 725 G N -0.341 108.521 108.800 0.104 0.000 3.438 725 G HA2 -0.216 3.741 3.960 -0.004 0.000 0.684 725 G HA3 -0.216 3.741 3.960 -0.004 0.000 0.684 725 G C -1.380 173.623 174.900 0.171 0.000 1.192 725 G CA -0.517 44.652 45.100 0.114 0.000 1.013 725 G HN 0.298 nan 8.290 nan 0.000 0.530 726 Y N 3.806 124.146 120.300 0.067 0.000 2.436 726 Y HA 0.545 5.092 4.550 -0.004 0.000 0.336 726 Y C 0.331 176.298 175.900 0.112 0.000 1.049 726 Y CA -0.844 57.315 58.100 0.098 0.000 1.294 726 Y CB 0.915 39.410 38.460 0.058 0.000 1.179 726 Y HN 0.545 nan 8.280 nan 0.000 0.520 727 N N 5.278 123.774 118.700 -0.340 0.000 2.626 727 N HA 0.263 5.001 4.740 -0.004 0.000 0.249 727 N C 0.191 175.488 175.510 -0.354 0.000 1.021 727 N CA 0.361 53.230 53.050 -0.302 0.000 0.886 727 N CB 1.504 39.940 38.487 -0.084 0.000 1.149 727 N HN 0.879 nan 8.380 nan 0.000 0.517 728 A N 2.933 125.429 122.820 -0.541 0.000 1.978 728 A HA -0.222 4.096 4.320 -0.004 0.000 0.220 728 A C 1.926 179.660 177.584 0.250 0.000 1.170 728 A CA 1.466 53.434 52.037 -0.115 0.000 0.636 728 A CB -0.326 18.544 19.000 -0.218 0.000 0.810 728 A HN 0.732 nan 8.150 nan 0.000 0.448 729 Q N 0.240 120.079 119.800 0.065 0.000 2.152 729 Q HA -0.244 4.094 4.340 -0.004 0.000 0.206 729 Q C 1.892 177.975 176.000 0.139 0.000 0.985 729 Q CA 2.367 58.218 55.803 0.079 0.000 0.863 729 Q CB -0.378 28.363 28.738 0.004 0.000 0.904 729 Q HN 0.782 nan 8.270 nan 0.000 0.422 730 E N -1.436 118.800 120.200 0.061 0.000 2.058 730 E HA -0.238 4.110 4.350 -0.004 0.000 0.194 730 E C 1.590 178.140 176.600 -0.082 0.000 0.997 730 E CA 1.475 57.839 56.400 -0.059 0.000 0.801 730 E CB -0.228 29.347 29.700 -0.209 0.000 0.746 730 E HN 0.585 nan 8.360 nan 0.000 0.450 731 Y N -1.098 119.266 120.300 0.107 0.000 2.242 731 Y HA -0.199 4.349 4.550 -0.004 0.000 0.291 731 Y C 2.190 178.080 175.900 -0.016 0.000 1.137 731 Y CA 1.462 59.606 58.100 0.075 0.000 1.181 731 Y CB -0.659 37.888 38.460 0.145 0.000 0.989 731 Y HN 0.250 nan 8.280 nan 0.000 0.527 732 Y N 1.274 121.594 120.300 0.033 0.000 2.224 732 Y HA -0.236 4.311 4.550 -0.004 0.000 0.289 732 Y C 1.744 177.609 175.900 -0.060 0.000 1.146 732 Y CA 1.754 59.798 58.100 -0.092 0.000 1.182 732 Y CB -0.370 38.087 38.460 -0.005 0.000 0.983 732 Y HN 0.078 nan 8.280 nan 0.000 0.524 733 D N -0.259 120.260 120.400 0.198 0.000 2.224 733 D HA -0.072 4.565 4.640 -0.004 0.000 0.205 733 D C 1.697 177.985 176.300 -0.019 0.000 0.965 733 D CA 1.084 55.140 54.000 0.094 0.000 0.852 733 D CB -0.097 40.767 40.800 0.106 0.000 0.947 733 D HN 0.486 nan 8.370 nan 0.000 0.494 734 R N -0.105 120.376 120.500 -0.032 0.000 2.362 734 R HA 0.302 4.639 4.340 -0.004 0.000 0.227 734 R C 0.348 176.625 176.300 -0.038 0.000 0.905 734 R CA 0.062 56.138 56.100 -0.039 0.000 1.067 734 R CB 1.207 31.478 30.300 -0.047 0.000 1.078 734 R HN 0.124 nan 8.270 nan 0.000 0.516 735 I N 1.867 122.393 120.570 -0.073 0.000 2.495 735 I HA 0.221 4.389 4.170 -0.004 0.000 0.277 735 I C -1.985 174.038 176.117 -0.156 0.000 1.045 735 I CA -2.347 58.914 61.300 -0.065 0.000 1.135 735 I CB 2.219 40.212 38.000 -0.012 0.000 1.241 735 I HN -0.296 nan 8.210 nan 0.000 0.469 736 P HA -0.198 nan 4.420 nan 0.000 0.215 736 P C 1.188 178.394 177.300 -0.158 0.000 1.157 736 P CA 1.530 64.542 63.100 -0.146 0.000 0.874 736 P CB 0.296 31.943 31.700 -0.088 0.000 0.790 737 E N -1.150 118.996 120.200 -0.091 0.000 2.153 737 E HA -0.178 4.169 4.350 -0.004 0.000 0.194 737 E C 1.873 178.373 176.600 -0.167 0.000 0.988 737 E CA 0.712 57.072 56.400 -0.068 0.000 0.811 737 E CB -0.591 29.140 29.700 0.051 0.000 0.746 737 E HN 0.122 nan 8.360 nan 0.000 0.466 738 L N 1.231 122.270 121.223 -0.306 0.000 2.072 738 L HA -0.117 4.220 4.340 -0.004 0.000 0.205 738 L C 2.356 178.937 176.870 -0.483 0.000 1.079 738 L CA 1.625 56.112 54.840 -0.588 0.000 0.752 738 L CB -0.329 41.242 42.059 -0.812 0.000 0.906 738 L HN -0.093 nan 8.230 nan 0.000 0.436 739 R N -0.735 119.451 120.500 -0.523 0.000 2.091 739 R HA -0.251 4.087 4.340 -0.004 0.000 0.238 739 R C 2.385 178.489 176.300 -0.326 0.000 1.136 739 R CA 2.024 57.716 56.100 -0.681 0.000 0.959 739 R CB -0.378 29.463 30.300 -0.765 0.000 0.856 739 R HN 0.638 nan 8.270 nan 0.000 0.437 740 Q N 0.494 120.153 119.800 -0.236 0.000 2.096 740 Q HA -0.189 4.149 4.340 -0.004 0.000 0.204 740 Q C 2.083 178.018 176.000 -0.108 0.000 0.982 740 Q CA 2.045 57.760 55.803 -0.147 0.000 0.850 740 Q CB -0.135 28.524 28.738 -0.132 0.000 0.901 740 Q HN 0.492 nan 8.270 nan 0.000 0.422 741 I N 0.176 120.678 120.570 -0.113 0.000 2.179 741 I HA -0.287 3.880 4.170 -0.004 0.000 0.242 741 I C 2.056 178.185 176.117 0.020 0.000 1.088 741 I CA 0.801 62.074 61.300 -0.044 0.000 1.357 741 I CB -0.265 37.686 38.000 -0.081 0.000 1.051 741 I HN 0.262 nan 8.210 nan 0.000 0.409 742 I N 0.835 121.415 120.570 0.017 0.000 2.286 742 I HA -0.254 3.914 4.170 -0.004 0.000 0.248 742 I C 2.435 178.644 176.117 0.153 0.000 1.115 742 I CA 1.560 62.942 61.300 0.136 0.000 1.392 742 I CB -0.602 37.565 38.000 0.279 0.000 1.065 742 I HN 0.216 nan 8.210 nan 0.000 0.418 743 E N -0.242 120.023 120.200 0.109 0.000 2.150 743 E HA -0.226 4.121 4.350 -0.004 0.000 0.193 743 E C 2.129 178.785 176.600 0.093 0.000 0.985 743 E CA 0.811 57.273 56.400 0.104 0.000 0.814 743 E CB -0.168 29.568 29.700 0.059 0.000 0.752 743 E HN 0.612 nan 8.360 nan 0.000 0.466 744 Q N 0.524 120.358 119.800 0.057 0.000 2.079 744 Q HA -0.096 4.242 4.340 -0.004 0.000 0.200 744 Q C 2.360 178.512 176.000 0.253 0.000 0.974 744 Q CA 0.894 56.727 55.803 0.051 0.000 0.840 744 Q CB -0.019 28.627 28.738 -0.154 0.000 0.898 744 Q HN 0.293 nan 8.270 nan 0.000 0.430 745 L N 0.060 121.457 121.223 0.289 0.000 2.017 745 L HA -0.185 4.153 4.340 -0.004 0.000 0.208 745 L C 2.430 179.483 176.870 0.305 0.000 1.073 745 L CA 1.007 56.054 54.840 0.345 0.000 0.745 745 L CB -0.339 41.843 42.059 0.205 0.000 0.894 745 L HN 0.152 nan 8.230 nan 0.000 0.432 746 S N -0.312 115.520 115.700 0.219 0.000 2.383 746 S HA -0.146 4.321 4.470 -0.004 0.000 0.227 746 S C 2.070 176.766 174.600 0.160 0.000 1.026 746 S CA 1.478 59.786 58.200 0.180 0.000 0.981 746 S CB -0.223 63.066 63.200 0.148 0.000 0.818 746 S HN 0.600 nan 8.310 nan 0.000 0.472 747 S N 0.522 116.316 115.700 0.158 0.000 2.522 747 S HA 0.290 4.757 4.470 -0.004 0.000 0.227 747 S C 1.472 176.153 174.600 0.135 0.000 0.986 747 S CA 0.715 58.994 58.200 0.131 0.000 0.929 747 S CB -0.194 63.078 63.200 0.120 0.000 0.769 747 S HN 0.828 nan 8.310 nan 0.000 0.529 748 G N 0.597 109.508 108.800 0.185 0.000 2.131 748 G HA2 -0.284 3.673 3.960 -0.004 0.000 0.223 748 G HA3 -0.284 3.673 3.960 -0.004 0.000 0.223 748 G C 0.184 175.168 174.900 0.139 0.000 0.990 748 G CA 0.113 45.310 45.100 0.161 0.000 0.671 748 G HN 0.530 nan 8.290 nan 0.000 0.521 749 F N 0.367 120.307 119.950 -0.016 0.000 2.202 749 F HA 0.186 4.710 4.527 -0.004 0.000 0.301 749 F C 1.789 177.390 175.800 -0.332 0.000 1.082 749 F CA 1.876 59.744 58.000 -0.219 0.000 1.313 749 F CB -0.061 38.718 39.000 -0.369 0.000 1.024 749 F HN 0.165 nan 8.300 nan 0.000 0.495 750 F N -0.296 119.826 119.950 0.287 0.000 2.664 750 F HA 0.216 4.740 4.527 -0.004 0.000 0.303 750 F C 0.681 176.593 175.800 0.185 0.000 1.092 750 F CA 0.275 58.397 58.000 0.204 0.000 1.305 750 F CB -0.138 39.008 39.000 0.243 0.000 1.054 750 F HN -0.000 nan 8.300 nan 0.000 0.565 751 S N -2.097 113.738 115.700 0.225 0.000 2.605 751 S HA 0.310 4.777 4.470 -0.004 0.000 0.142 751 S C -2.449 172.155 174.600 0.007 0.000 1.452 751 S CA -0.992 57.255 58.200 0.078 0.000 1.240 751 S CB 0.784 63.956 63.200 -0.045 0.000 1.538 751 S HN -0.176 nan 8.310 nan 0.000 0.394 752 P HA -0.152 nan 4.420 nan 0.000 0.215 752 P C 0.998 178.280 177.300 -0.031 0.000 1.163 752 P CA 1.536 64.606 63.100 -0.050 0.000 0.894 752 P CB 0.028 31.675 31.700 -0.088 0.000 0.791 753 K N -1.164 119.218 120.400 -0.030 0.000 2.525 753 K HA 0.000 4.318 4.320 -0.004 0.000 0.192 753 K C 0.522 177.112 176.600 -0.017 0.000 1.029 753 K CA 0.670 56.945 56.287 -0.021 0.000 1.029 753 K CB -0.011 32.479 32.500 -0.018 0.000 0.814 753 K HN 0.330 nan 8.250 nan 0.000 0.503 754 Q N -0.586 119.199 119.800 -0.025 0.000 3.662 754 Q HA 0.123 4.460 4.340 -0.004 0.000 0.237 754 Q C -2.440 173.537 176.000 -0.038 0.000 0.895 754 Q CA -1.338 54.445 55.803 -0.034 0.000 0.767 754 Q CB 1.569 30.276 28.738 -0.052 0.000 1.469 754 Q HN -0.096 nan 8.270 nan 0.000 0.424 755 P HA -0.232 nan 4.420 nan 0.000 0.217 755 P C 0.637 177.961 177.300 0.040 0.000 1.151 755 P CA 1.627 64.743 63.100 0.027 0.000 0.849 755 P CB 0.195 31.913 31.700 0.030 0.000 0.787 756 D N -1.503 118.908 120.400 0.018 0.000 2.427 756 D HA 0.003 4.641 4.640 -0.004 0.000 0.224 756 D C 1.481 177.774 176.300 -0.011 0.000 1.157 756 D CA -0.302 53.719 54.000 0.035 0.000 0.828 756 D CB -0.810 40.015 40.800 0.042 0.000 0.974 756 D HN 0.023 nan 8.370 nan 0.000 0.498 757 L N -0.244 120.903 121.223 -0.128 0.000 2.081 757 L HA -0.014 4.324 4.340 -0.004 0.000 0.212 757 L C 0.997 177.654 176.870 -0.355 0.000 1.080 757 L CA 1.655 56.305 54.840 -0.316 0.000 0.754 757 L CB -0.563 41.115 42.059 -0.634 0.000 0.893 757 L HN 0.022 nan 8.230 nan 0.000 0.433 758 F N -0.546 119.450 119.950 0.077 0.000 2.730 758 F HA 0.155 4.680 4.527 -0.004 0.000 0.295 758 F C 1.800 177.643 175.800 0.072 0.000 1.143 758 F CA -0.245 57.789 58.000 0.057 0.000 1.367 758 F CB -0.267 38.756 39.000 0.038 0.000 0.970 758 F HN 0.095 nan 8.300 nan 0.000 0.514 759 K N -0.333 120.183 120.400 0.193 0.000 2.097 759 K HA -0.171 4.146 4.320 -0.004 0.000 0.206 759 K C 0.937 177.637 176.600 0.166 0.000 1.049 759 K CA 1.905 58.289 56.287 0.162 0.000 0.933 759 K CB -0.231 32.342 32.500 0.121 0.000 0.717 759 K HN 0.109 nan 8.250 nan 0.000 0.442 760 D N 1.492 122.001 120.400 0.183 0.000 2.117 760 D HA -0.104 4.533 4.640 -0.004 0.000 0.197 760 D C 2.132 178.522 176.300 0.150 0.000 0.987 760 D CA 1.240 55.355 54.000 0.193 0.000 0.829 760 D CB -0.162 40.786 40.800 0.247 0.000 0.961 760 D HN 0.306 nan 8.370 nan 0.000 0.460 761 I N 0.765 121.420 120.570 0.141 0.000 2.179 761 I HA -0.232 3.936 4.170 -0.004 0.000 0.242 761 I C 2.521 178.654 176.117 0.027 0.000 1.088 761 I CA 0.735 62.074 61.300 0.065 0.000 1.357 761 I CB -0.321 37.710 38.000 0.052 0.000 1.051 761 I HN -0.112 nan 8.210 nan 0.000 0.409 762 V N 1.004 120.964 119.914 0.077 0.000 2.343 762 V HA -0.328 3.789 4.120 -0.004 0.000 0.247 762 V C 2.203 178.297 176.094 0.001 0.000 1.051 762 V CA 2.446 64.780 62.300 0.058 0.000 1.036 762 V CB -1.018 30.871 31.823 0.109 0.000 0.654 762 V HN 0.528 nan 8.190 nan 0.000 0.451 763 N N -0.591 118.147 118.700 0.063 0.000 2.104 763 N HA -0.241 4.496 4.740 -0.004 0.000 0.190 763 N C 2.017 177.524 175.510 -0.004 0.000 1.024 763 N CA 1.508 54.631 53.050 0.121 0.000 0.853 763 N CB -0.113 38.509 38.487 0.226 0.000 1.008 763 N HN 0.355 nan 8.380 nan 0.000 0.424 764 M N 0.670 120.184 119.600 -0.143 0.000 2.077 764 M HA -0.126 4.351 4.480 -0.004 0.000 0.261 764 M C 1.694 177.727 176.300 -0.445 0.000 1.070 764 M CA 1.214 56.160 55.300 -0.591 0.000 1.125 764 M CB -0.652 31.712 32.600 -0.392 0.000 1.339 764 M HN 0.205 nan 8.290 nan 0.000 0.409 765 L N 0.667 121.700 121.223 -0.316 0.000 2.042 765 L HA -0.236 4.101 4.340 -0.004 0.000 0.210 765 L C 2.462 178.996 176.870 -0.559 0.000 1.076 765 L CA 1.626 56.191 54.840 -0.459 0.000 0.749 765 L CB -1.418 40.398 42.059 -0.404 0.000 0.893 765 L HN 0.383 nan 8.230 nan 0.000 0.432 766 M N -1.839 117.510 119.600 -0.419 0.000 2.287 766 M HA -0.063 4.415 4.480 -0.004 0.000 0.266 766 M C 1.950 177.892 176.300 -0.597 0.000 1.079 766 M CA 1.383 56.372 55.300 -0.519 0.000 1.146 766 M CB -0.768 31.424 32.600 -0.680 0.000 1.374 766 M HN 0.326 nan 8.290 nan 0.000 0.435 767 H N -1.678 117.360 119.070 -0.053 0.000 2.927 767 H HA 0.214 4.768 4.556 -0.004 0.000 0.255 767 H C 0.487 175.887 175.328 0.121 0.000 0.974 767 H CA 0.640 56.712 56.048 0.040 0.000 1.199 767 H CB 0.455 30.283 29.762 0.110 0.000 1.447 767 H HN 0.480 nan 8.280 nan 0.000 0.467 768 H N -0.636 118.486 119.070 0.087 0.000 2.825 768 H HA 0.213 4.767 4.556 -0.004 0.000 0.226 768 H C -1.205 174.144 175.328 0.035 0.000 1.414 768 H CA -0.446 55.643 56.048 0.068 0.000 1.198 768 H CB -0.025 29.780 29.762 0.072 0.000 2.013 768 H HN -0.043 nan 8.280 nan 0.000 0.530 769 D N 1.813 122.182 120.400 -0.051 0.000 2.393 769 D HA 0.138 4.775 4.640 -0.004 0.000 0.232 769 D C 1.054 177.284 176.300 -0.116 0.000 1.192 769 D CA -0.406 53.543 54.000 -0.085 0.000 0.882 769 D CB 0.714 41.457 40.800 -0.095 0.000 1.038 769 D HN 0.355 nan 8.370 nan 0.000 0.499 770 R N 2.144 122.489 120.500 -0.258 0.000 2.237 770 R HA -0.037 4.301 4.340 -0.004 0.000 0.219 770 R C 0.624 176.412 176.300 -0.854 0.000 1.080 770 R CA 0.905 56.663 56.100 -0.571 0.000 0.995 770 R CB 0.100 29.914 30.300 -0.810 0.000 0.875 770 R HN 0.401 nan 8.270 nan 0.000 0.462 771 F N 0.287 120.191 119.950 -0.077 0.000 2.654 771 F HA 0.254 4.778 4.527 -0.004 0.000 0.303 771 F C 0.051 175.720 175.800 -0.219 0.000 1.099 771 F CA -0.650 57.288 58.000 -0.103 0.000 1.270 771 F CB 0.192 39.189 39.000 -0.005 0.000 1.024 771 F HN -0.254 nan 8.300 nan 0.000 0.548 772 K N -0.222 119.975 120.400 -0.339 0.000 3.451 772 K HA -0.182 4.136 4.320 -0.004 0.000 0.273 772 K C 0.997 177.471 176.600 -0.210 0.000 0.944 772 K CA 0.162 56.082 56.287 -0.612 0.000 0.734 772 K CB -1.767 30.253 32.500 -0.800 0.000 1.437 772 K HN 0.204 nan 8.250 nan 0.000 0.454 773 V N 0.123 119.986 119.914 -0.084 0.000 2.287 773 V HA -0.280 3.838 4.120 -0.004 0.000 0.248 773 V C 1.975 178.195 176.094 0.210 0.000 1.053 773 V CA 2.233 64.558 62.300 0.042 0.000 1.027 773 V CB -0.494 31.345 31.823 0.028 0.000 0.646 773 V HN 0.526 nan 8.190 nan 0.000 0.447 774 F N 0.256 120.203 119.950 -0.005 0.000 2.171 774 F HA -0.204 4.320 4.527 -0.004 0.000 0.300 774 F C 2.552 178.162 175.800 -0.316 0.000 1.090 774 F CA 0.670 58.618 58.000 -0.088 0.000 1.293 774 F CB -0.427 38.524 39.000 -0.082 0.000 1.013 774 F HN 0.205 nan 8.300 nan 0.000 0.486 775 A N -0.375 122.286 122.820 -0.265 0.000 2.024 775 A HA -0.218 4.100 4.320 -0.004 0.000 0.220 775 A C 1.468 179.060 177.584 0.015 0.000 1.164 775 A CA 2.035 53.854 52.037 -0.364 0.000 0.643 775 A CB -0.495 18.402 19.000 -0.172 0.000 0.806 775 A HN 0.259 nan 8.150 nan 0.000 0.451 776 D N -2.948 117.514 120.400 0.103 0.000 2.369 776 D HA 0.098 4.735 4.640 -0.004 0.000 0.211 776 D C 1.132 177.609 176.300 0.294 0.000 1.077 776 D CA -0.070 54.064 54.000 0.223 0.000 0.842 776 D CB -0.112 40.826 40.800 0.230 0.000 0.947 776 D HN 0.599 nan 8.370 nan 0.000 0.509 777 Y N 2.054 122.448 120.300 0.157 0.000 2.070 777 Y HA -0.233 4.314 4.550 -0.004 0.000 0.280 777 Y C 2.169 178.165 175.900 0.160 0.000 1.148 777 Y CA 1.934 60.136 58.100 0.170 0.000 1.125 777 Y CB 0.178 38.705 38.460 0.111 0.000 0.975 777 Y HN -0.110 nan 8.280 nan 0.000 0.492 778 E N -0.234 120.032 120.200 0.110 0.000 2.058 778 E HA -0.297 4.050 4.350 -0.004 0.000 0.194 778 E C 2.167 178.742 176.600 -0.043 0.000 0.997 778 E CA 1.533 57.919 56.400 -0.023 0.000 0.801 778 E CB -0.164 29.626 29.700 0.151 0.000 0.746 778 E HN 0.548 nan 8.360 nan 0.000 0.450 779 E N -0.316 119.941 120.200 0.096 0.000 2.118 779 E HA -0.233 4.114 4.350 -0.004 0.000 0.195 779 E C 1.827 178.443 176.600 0.026 0.000 0.992 779 E CA 1.134 57.618 56.400 0.140 0.000 0.804 779 E CB -0.230 29.649 29.700 0.300 0.000 0.741 779 E HN 0.286 nan 8.360 nan 0.000 0.458 780 Y N 0.205 120.348 120.300 -0.261 0.000 2.114 780 Y HA -0.206 4.341 4.550 -0.004 0.000 0.284 780 Y C 2.051 177.574 175.900 -0.629 0.000 1.143 780 Y CA 1.558 59.181 58.100 -0.795 0.000 1.135 780 Y CB -0.652 37.408 38.460 -0.667 0.000 0.980 780 Y HN -0.063 nan 8.280 nan 0.000 0.499 781 V N 0.484 120.060 119.914 -0.563 0.000 2.332 781 V HA -0.340 3.777 4.120 -0.004 0.000 0.248 781 V C 2.333 178.199 176.094 -0.380 0.000 1.055 781 V CA 2.421 64.401 62.300 -0.534 0.000 1.038 781 V CB -0.659 30.873 31.823 -0.485 0.000 0.651 781 V HN 0.275 nan 8.190 nan 0.000 0.450 782 K N -0.892 119.349 120.400 -0.264 0.000 2.057 782 K HA -0.186 4.132 4.320 -0.004 0.000 0.207 782 K C 2.290 178.792 176.600 -0.164 0.000 1.049 782 K CA 1.718 57.912 56.287 -0.156 0.000 0.931 782 K CB -0.662 31.796 32.500 -0.069 0.000 0.714 782 K HN 0.541 nan 8.250 nan 0.000 0.440 783 C N 1.164 120.342 119.300 -0.203 0.000 2.429 783 C HA -0.115 4.343 4.460 -0.004 0.000 0.277 783 C C 2.539 177.340 174.990 -0.315 0.000 1.262 783 C CA 0.868 59.791 59.018 -0.159 0.000 1.733 783 C CB -0.665 26.993 27.740 -0.137 0.000 2.010 783 C HN 0.457 nan 8.230 nan 0.000 0.483 784 Q N 0.348 119.828 119.800 -0.532 0.000 2.226 784 Q HA -0.161 4.177 4.340 -0.004 0.000 0.204 784 Q C 2.003 177.803 176.000 -0.335 0.000 0.975 784 Q CA 1.565 57.016 55.803 -0.587 0.000 0.866 784 Q CB -0.372 27.786 28.738 -0.967 0.000 0.915 784 Q HN 0.769 nan 8.270 nan 0.000 0.440 785 E N 0.139 120.199 120.200 -0.232 0.000 2.152 785 E HA -0.111 4.237 4.350 -0.004 0.000 0.192 785 E C 2.017 178.565 176.600 -0.086 0.000 0.983 785 E CA 0.423 56.746 56.400 -0.128 0.000 0.818 785 E CB -0.004 29.642 29.700 -0.090 0.000 0.758 785 E HN 0.266 nan 8.360 nan 0.000 0.467 786 R N 0.500 120.952 120.500 -0.079 0.000 2.148 786 R HA -0.051 4.287 4.340 -0.004 0.000 0.223 786 R C 2.363 178.651 176.300 -0.020 0.000 1.088 786 R CA 0.694 56.811 56.100 0.028 0.000 0.985 786 R CB -0.161 30.227 30.300 0.146 0.000 0.880 786 R HN 0.049 nan 8.270 nan 0.000 0.451 787 V N 0.478 120.194 119.914 -0.331 0.000 2.358 787 V HA -0.207 3.910 4.120 -0.004 0.000 0.246 787 V C 2.108 178.178 176.094 -0.040 0.000 1.047 787 V CA 1.849 63.859 62.300 -0.484 0.000 1.035 787 V CB -0.252 31.170 31.823 -0.668 0.000 0.658 787 V HN 0.265 nan 8.190 nan 0.000 0.452 788 S N 0.203 115.853 115.700 -0.083 0.000 2.383 788 S HA -0.121 4.347 4.470 -0.004 0.000 0.227 788 S C 2.194 176.841 174.600 0.078 0.000 1.026 788 S CA 1.295 59.481 58.200 -0.023 0.000 0.981 788 S CB -0.394 62.761 63.200 -0.074 0.000 0.818 788 S HN 0.643 nan 8.310 nan 0.000 0.472 789 A N 1.245 124.114 122.820 0.083 0.000 1.898 789 A HA 0.064 4.382 4.320 -0.004 0.000 0.216 789 A C 2.065 179.756 177.584 0.179 0.000 1.181 789 A CA 0.929 53.036 52.037 0.117 0.000 0.620 789 A CB -0.599 18.461 19.000 0.100 0.000 0.819 789 A HN 0.460 nan 8.150 nan 0.000 0.442 790 L N -2.039 119.348 121.223 0.274 0.000 2.156 790 L HA -0.116 4.222 4.340 -0.004 0.000 0.208 790 L C 2.421 179.554 176.870 0.439 0.000 1.095 790 L CA 1.484 56.558 54.840 0.391 0.000 0.770 790 L CB -0.376 42.022 42.059 0.565 0.000 0.914 790 L HN 0.578 nan 8.230 nan 0.000 0.439 791 Y N 1.081 121.503 120.300 0.204 0.000 2.333 791 Y HA -0.247 4.301 4.550 -0.003 0.000 0.290 791 Y C 2.398 178.226 175.900 -0.119 0.000 1.144 791 Y CA 1.500 59.469 58.100 -0.220 0.000 1.228 791 Y CB -0.073 38.066 38.460 -0.534 0.000 0.985 791 Y HN 0.077 nan 8.280 nan 0.000 0.542 792 K N -0.277 120.144 120.400 0.036 0.000 2.362 792 K HA -0.129 4.189 4.320 -0.004 0.000 0.200 792 K C 0.448 177.024 176.600 -0.039 0.000 1.046 792 K CA 0.729 57.024 56.287 0.014 0.000 0.952 792 K CB -0.106 32.448 32.500 0.091 0.000 0.753 792 K HN 0.100 nan 8.250 nan 0.000 0.466 793 N N 0.765 119.460 118.700 -0.007 0.000 2.976 793 N HA 0.121 4.858 4.740 -0.004 0.000 0.255 793 N C -2.406 173.105 175.510 0.001 0.000 1.312 793 N CA -2.088 50.967 53.050 0.008 0.000 0.897 793 N CB 1.171 39.697 38.487 0.065 0.000 1.184 793 N HN -0.194 nan 8.380 nan 0.000 0.497 794 P HA -0.257 nan 4.420 nan 0.000 0.219 794 P C 1.426 178.737 177.300 0.019 0.000 1.161 794 P CA 1.490 64.518 63.100 -0.120 0.000 0.909 794 P CB 0.291 31.900 31.700 -0.152 0.000 0.793 795 R N -0.210 120.299 120.500 0.014 0.000 2.083 795 R HA -0.185 4.153 4.340 -0.004 0.000 0.237 795 R C 1.993 178.333 176.300 0.066 0.000 1.137 795 R CA 1.608 57.729 56.100 0.034 0.000 0.951 795 R CB -0.440 29.872 30.300 0.020 0.000 0.851 795 R HN 0.129 nan 8.270 nan 0.000 0.434 796 E N -0.171 120.079 120.200 0.083 0.000 2.158 796 E HA -0.202 4.145 4.350 -0.004 0.000 0.191 796 E C 1.605 178.282 176.600 0.128 0.000 0.982 796 E CA 0.607 57.060 56.400 0.089 0.000 0.823 796 E CB -0.405 29.346 29.700 0.085 0.000 0.766 796 E HN 0.532 nan 8.360 nan 0.000 0.468 797 W N 2.224 123.521 121.300 -0.005 0.000 2.355 797 W HA -0.162 4.495 4.660 -0.005 0.000 0.309 797 W C 1.550 178.075 176.519 0.010 0.000 1.206 797 W CA 1.985 59.343 57.345 0.022 0.000 1.284 797 W CB -0.409 29.039 29.460 -0.020 0.000 1.145 797 W HN 0.008 nan 8.180 nan 0.000 0.502 798 T N 1.365 116.060 114.554 0.236 0.000 2.788 798 T HA -0.169 4.179 4.350 -0.004 0.000 0.268 798 T C 1.843 176.547 174.700 0.006 0.000 1.044 798 T CA 1.705 63.870 62.100 0.109 0.000 1.139 798 T CB -0.287 68.630 68.868 0.080 0.000 0.867 798 T HN 0.183 nan 8.240 nan 0.000 0.454 799 R N 0.451 120.961 120.500 0.017 0.000 2.092 799 R HA 0.109 4.447 4.340 -0.004 0.000 0.231 799 R C 2.490 178.774 176.300 -0.027 0.000 1.119 799 R CA 1.128 57.235 56.100 0.012 0.000 0.970 799 R CB -0.335 29.980 30.300 0.026 0.000 0.864 799 R HN 0.369 nan 8.270 nan 0.000 0.440 800 M N 0.517 120.066 119.600 -0.085 0.000 2.175 800 M HA -0.125 4.352 4.480 -0.004 0.000 0.264 800 M C 1.903 178.107 176.300 -0.160 0.000 1.063 800 M CA 1.316 56.530 55.300 -0.144 0.000 1.119 800 M CB 0.197 32.654 32.600 -0.239 0.000 1.377 800 M HN -0.022 nan 8.290 nan 0.000 0.415 801 V N 0.949 120.748 119.914 -0.193 0.000 2.295 801 V HA -0.314 3.804 4.120 -0.004 0.000 0.246 801 V C 2.231 178.298 176.094 -0.045 0.000 1.049 801 V CA 2.039 64.254 62.300 -0.142 0.000 1.024 801 V CB -0.588 31.176 31.823 -0.098 0.000 0.648 801 V HN 0.511 nan 8.190 nan 0.000 0.447 802 I N -0.540 120.021 120.570 -0.016 0.000 2.208 802 I HA -0.282 3.885 4.170 -0.004 0.000 0.245 802 I C 2.689 178.848 176.117 0.070 0.000 1.097 802 I CA 1.625 62.958 61.300 0.055 0.000 1.363 802 I CB -0.434 37.636 38.000 0.116 0.000 1.051 802 I HN 0.230 nan 8.210 nan 0.000 0.413 803 R N 0.371 120.893 120.500 0.036 0.000 2.148 803 R HA -0.096 4.242 4.340 -0.004 0.000 0.227 803 R C 1.980 178.310 176.300 0.051 0.000 1.103 803 R CA 0.988 57.111 56.100 0.038 0.000 0.983 803 R CB -0.356 29.951 30.300 0.012 0.000 0.874 803 R HN 0.542 nan 8.270 nan 0.000 0.451 804 N N 0.646 119.369 118.700 0.039 0.000 2.148 804 N HA -0.051 4.686 4.740 -0.004 0.000 0.186 804 N C 1.960 177.528 175.510 0.096 0.000 1.031 804 N CA 0.975 54.071 53.050 0.077 0.000 0.848 804 N CB 0.010 38.517 38.487 0.033 0.000 1.005 804 N HN 0.099 nan 8.380 nan 0.000 0.427 805 I N 1.719 122.334 120.570 0.074 0.000 2.194 805 I HA -0.259 3.909 4.170 -0.004 0.000 0.246 805 I C 2.430 178.600 176.117 0.089 0.000 1.093 805 I CA 1.008 62.358 61.300 0.083 0.000 1.355 805 I CB -0.345 37.697 38.000 0.069 0.000 1.046 805 I HN 0.100 nan 8.210 nan 0.000 0.413 806 A N 0.252 123.125 122.820 0.088 0.000 2.070 806 A HA -0.159 4.159 4.320 -0.004 0.000 0.220 806 A C 2.037 179.663 177.584 0.069 0.000 1.159 806 A CA 2.011 54.093 52.037 0.075 0.000 0.656 806 A CB -0.830 18.218 19.000 0.081 0.000 0.800 806 A HN 0.547 nan 8.150 nan 0.000 0.453 807 T N -3.052 111.556 114.554 0.090 0.000 3.215 807 T HA 0.210 4.557 4.350 -0.004 0.000 0.271 807 T C 1.029 175.823 174.700 0.156 0.000 1.012 807 T CA 0.589 62.745 62.100 0.093 0.000 0.899 807 T CB -0.197 68.723 68.868 0.088 0.000 1.089 807 T HN 0.462 nan 8.240 nan 0.000 0.552 808 S N -0.156 115.654 115.700 0.182 0.000 2.575 808 S HA 0.279 4.747 4.470 -0.004 0.000 0.215 808 S C 2.187 176.916 174.600 0.216 0.000 0.966 808 S CA 0.228 58.614 58.200 0.310 0.000 0.911 808 S CB -0.511 62.845 63.200 0.259 0.000 0.780 808 S HN 0.514 nan 8.310 nan 0.000 0.514 809 G N 2.800 111.650 108.800 0.083 0.000 2.469 809 G HA2 -0.298 3.659 3.960 -0.004 0.000 0.220 809 G HA3 -0.298 3.659 3.960 -0.004 0.000 0.220 809 G C 1.323 176.173 174.900 -0.083 0.000 1.136 809 G CA 1.060 46.175 45.100 0.024 0.000 0.759 809 G HN 0.605 nan 8.290 nan 0.000 0.562 810 K N -0.128 120.103 120.400 -0.281 0.000 2.280 810 K HA -0.021 4.296 4.320 -0.004 0.000 0.202 810 K C 1.202 177.448 176.600 -0.589 0.000 1.047 810 K CA 0.653 56.636 56.287 -0.507 0.000 0.942 810 K CB -0.260 31.778 32.500 -0.769 0.000 0.739 810 K HN 0.415 nan 8.250 nan 0.000 0.457 811 F N 0.895 120.875 119.950 0.049 0.000 2.664 811 F HA 0.123 4.647 4.527 -0.005 0.000 0.301 811 F C 0.807 176.653 175.800 0.076 0.000 1.126 811 F CA -0.549 57.487 58.000 0.060 0.000 1.373 811 F CB 0.387 39.419 39.000 0.054 0.000 1.042 811 F HN -0.118 nan 8.300 nan 0.000 0.535 812 S N 0.302 116.080 115.700 0.129 0.000 2.545 812 S HA 0.079 4.547 4.470 -0.004 0.000 0.275 812 S C 1.426 176.106 174.600 0.134 0.000 1.299 812 S CA -0.255 58.022 58.200 0.129 0.000 1.048 812 S CB 0.840 64.087 63.200 0.078 0.000 0.938 812 S HN 0.340 nan 8.310 nan 0.000 0.496 813 S N 3.260 119.066 115.700 0.176 0.000 2.500 813 S HA -0.081 4.386 4.470 -0.004 0.000 0.239 813 S C 0.909 175.567 174.600 0.096 0.000 0.989 813 S CA 0.715 59.042 58.200 0.212 0.000 0.951 813 S CB -0.322 63.077 63.200 0.332 0.000 0.759 813 S HN 0.791 nan 8.310 nan 0.000 0.523 814 D N 1.778 122.218 120.400 0.065 0.000 2.144 814 D HA -0.056 4.582 4.640 -0.004 0.000 0.200 814 D C 2.115 178.419 176.300 0.008 0.000 0.978 814 D CA 0.667 54.682 54.000 0.026 0.000 0.833 814 D CB -0.293 40.519 40.800 0.021 0.000 0.961 814 D HN 0.296 nan 8.370 nan 0.000 0.470 815 R N 0.902 121.408 120.500 0.011 0.000 2.066 815 R HA -0.075 4.263 4.340 -0.004 0.000 0.232 815 R C 1.840 178.131 176.300 -0.015 0.000 1.131 815 R CA 1.276 57.368 56.100 -0.014 0.000 0.955 815 R CB -0.754 29.524 30.300 -0.037 0.000 0.851 815 R HN 0.091 nan 8.270 nan 0.000 0.432 816 T N 2.241 116.808 114.554 0.022 0.000 2.652 816 T HA -0.115 4.232 4.350 -0.004 0.000 0.267 816 T C 1.917 176.613 174.700 -0.006 0.000 1.039 816 T CA 1.406 63.535 62.100 0.048 0.000 1.153 816 T CB -0.117 68.852 68.868 0.167 0.000 0.863 816 T HN 0.104 nan 8.240 nan 0.000 0.428 817 I N 1.641 122.132 120.570 -0.133 0.000 2.315 817 I HA -0.081 4.087 4.170 -0.004 0.000 0.248 817 I C 2.903 178.978 176.117 -0.070 0.000 1.117 817 I CA 0.910 62.099 61.300 -0.184 0.000 1.404 817 I CB -1.623 36.274 38.000 -0.171 0.000 1.071 817 I HN 0.191 nan 8.210 nan 0.000 0.419 818 A N 0.236 123.032 122.820 -0.039 0.000 1.933 818 A HA -0.229 4.088 4.320 -0.004 0.000 0.218 818 A C 2.247 179.792 177.584 -0.064 0.000 1.175 818 A CA 1.385 53.406 52.037 -0.025 0.000 0.628 818 A CB -0.532 18.458 19.000 -0.017 0.000 0.814 818 A HN 0.512 nan 8.150 nan 0.000 0.444 819 Q N -1.934 117.809 119.800 -0.096 0.000 2.123 819 Q HA -0.150 4.188 4.340 -0.004 0.000 0.199 819 Q C 1.894 177.730 176.000 -0.274 0.000 0.966 819 Q CA 1.529 57.236 55.803 -0.161 0.000 0.845 819 Q CB -0.278 28.354 28.738 -0.176 0.000 0.907 819 Q HN 0.829 nan 8.270 nan 0.000 0.439 820 Y N 0.564 120.577 120.300 -0.477 0.000 2.181 820 Y HA -0.255 4.292 4.550 -0.004 0.000 0.288 820 Y C 2.468 177.812 175.900 -0.927 0.000 1.146 820 Y CA 1.226 58.794 58.100 -0.885 0.000 1.164 820 Y CB -0.334 37.281 38.460 -1.409 0.000 0.982 820 Y HN 0.149 nan 8.280 nan 0.000 0.515 821 A N 0.346 122.958 122.820 -0.348 0.000 1.877 821 A HA -0.209 4.109 4.320 -0.004 0.000 0.216 821 A C 2.246 179.852 177.584 0.037 0.000 1.186 821 A CA 1.921 53.996 52.037 0.064 0.000 0.620 821 A CB -0.509 18.602 19.000 0.185 0.000 0.822 821 A HN 0.406 nan 8.150 nan 0.000 0.443 822 R N -0.556 119.924 120.500 -0.034 0.000 2.093 822 R HA -0.033 4.305 4.340 -0.004 0.000 0.224 822 R C 1.750 178.029 176.300 -0.036 0.000 1.101 822 R CA 1.437 57.527 56.100 -0.017 0.000 0.979 822 R CB -0.208 30.076 30.300 -0.026 0.000 0.877 822 R HN 0.669 nan 8.270 nan 0.000 0.441 823 E N -0.338 119.801 120.200 -0.102 0.000 2.400 823 E HA 0.097 4.445 4.350 -0.004 0.000 0.195 823 E C 1.494 178.046 176.600 -0.080 0.000 1.012 823 E CA 0.437 56.780 56.400 -0.095 0.000 0.875 823 E CB 0.519 30.135 29.700 -0.140 0.000 0.859 823 E HN 0.312 nan 8.360 nan 0.000 0.498 824 I N -1.075 119.416 120.570 -0.131 0.000 3.739 824 I HA 0.020 4.188 4.170 -0.004 0.000 0.272 824 I C 1.296 177.551 176.117 0.230 0.000 1.167 824 I CA -0.057 61.226 61.300 -0.028 0.000 1.386 824 I CB 0.228 38.065 38.000 -0.271 0.000 1.490 824 I HN 0.118 nan 8.210 nan 0.000 0.452 825 W N 1.660 123.052 121.300 0.153 0.000 2.770 825 W HA 0.298 4.956 4.660 -0.004 0.000 0.256 825 W C 1.481 178.037 176.519 0.060 0.000 1.291 825 W CA 0.816 58.232 57.345 0.119 0.000 1.396 825 W CB -1.137 28.382 29.460 0.099 0.000 1.114 825 W HN 0.335 nan 8.180 nan 0.000 0.637 826 G N 1.207 110.146 108.800 0.232 0.000 2.272 826 G HA2 -0.102 3.856 3.960 -0.004 0.000 0.280 826 G HA3 -0.102 3.856 3.960 -0.004 0.000 0.280 826 G C -0.311 174.663 174.900 0.122 0.000 1.067 826 G CA 0.273 45.452 45.100 0.131 0.000 0.902 826 G HN 0.443 nan 8.290 nan 0.000 0.500 827 V N -4.358 115.647 119.914 0.152 0.000 2.925 827 V HA 0.887 5.005 4.120 -0.004 0.000 0.311 827 V C -0.361 175.793 176.094 0.100 0.000 1.104 827 V CA -1.691 60.679 62.300 0.117 0.000 0.954 827 V CB 2.345 34.247 31.823 0.131 0.000 1.022 827 V HN 0.135 nan 8.190 nan 0.000 0.427 828 E N 4.116 124.358 120.200 0.069 0.000 2.146 828 E HA 0.484 4.831 4.350 -0.004 0.000 0.282 828 E C -2.459 174.177 176.600 0.060 0.000 0.989 828 E CA -1.657 54.777 56.400 0.057 0.000 0.799 828 E CB 1.858 31.583 29.700 0.042 0.000 1.088 828 E HN 0.760 nan 8.360 nan 0.000 0.397 829 P HA 0.073 nan 4.420 nan 0.000 0.272 829 P C -0.479 176.851 177.300 0.050 0.000 1.230 829 P CA -0.285 62.850 63.100 0.058 0.000 0.788 829 P CB 1.004 32.734 31.700 0.050 0.000 0.949 830 S N 0.808 116.540 115.700 0.053 0.000 2.548 830 S HA 0.352 4.820 4.470 -0.004 0.000 0.276 830 S C 0.385 175.013 174.600 0.046 0.000 1.129 830 S CA -0.785 57.445 58.200 0.050 0.000 0.931 830 S CB 1.091 64.328 63.200 0.062 0.000 1.068 830 S HN 0.320 nan 8.310 nan 0.000 0.480 831 R N 2.196 122.719 120.500 0.038 0.000 2.393 831 R HA 0.199 4.536 4.340 -0.004 0.000 0.244 831 R C -0.106 176.210 176.300 0.025 0.000 0.920 831 R CA -0.055 56.066 56.100 0.035 0.000 1.076 831 R CB 0.276 30.596 30.300 0.033 0.000 1.119 831 R HN 0.664 nan 8.270 nan 0.000 0.524 832 Q N 1.447 121.263 119.800 0.025 0.000 2.297 832 Q HA 0.101 4.438 4.340 -0.004 0.000 0.267 832 Q C -0.198 175.801 176.000 -0.003 0.000 1.006 832 Q CA 0.335 56.146 55.803 0.013 0.000 0.896 832 Q CB 0.889 29.640 28.738 0.021 0.000 1.186 832 Q HN -0.061 nan 8.270 nan 0.000 0.392 833 R N 1.894 122.383 120.500 -0.019 0.000 2.491 833 R HA 0.106 4.443 4.340 -0.004 0.000 0.283 833 R C -0.304 175.959 176.300 -0.062 0.000 1.072 833 R CA -0.566 55.510 56.100 -0.040 0.000 1.048 833 R CB 0.310 30.583 30.300 -0.045 0.000 0.983 833 R HN 0.385 nan 8.270 nan 0.000 0.450 834 L N 5.380 126.550 121.223 -0.087 0.000 2.439 834 L HA 0.124 4.462 4.340 -0.004 0.000 0.269 834 L C -1.605 175.196 176.870 -0.115 0.000 1.179 834 L CA -1.811 52.941 54.840 -0.148 0.000 0.828 834 L CB 0.379 42.333 42.059 -0.175 0.000 1.106 834 L HN 0.520 nan 8.230 nan 0.000 0.467 835 P HA -0.004 nan 4.420 nan 0.000 0.196 835 P C 0.083 177.348 177.300 -0.057 0.000 1.360 835 P CA 0.677 63.730 63.100 -0.077 0.000 1.128 835 P CB -0.663 30.992 31.700 -0.074 0.000 1.750 836 A N 3.073 125.863 122.820 -0.050 0.000 6.807 836 A HA -0.169 4.149 4.320 -0.004 0.000 0.291 836 A C -2.052 175.516 177.584 -0.026 0.000 2.085 836 A CA -0.010 52.006 52.037 -0.035 0.000 0.945 836 A CB -2.409 16.578 19.000 -0.022 0.000 1.037 836 A HN 0.422 nan 8.150 nan 0.000 0.429 837 P HA 0.000 nan 4.420 nan 0.000 0.216 837 P CA 0.000 63.105 63.100 0.008 0.000 0.800 837 P CB 0.000 31.718 31.700 0.031 0.000 0.726