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 2z4t_1_A DATA FIRST_RESID 22 DATA SEQUENCE TQSIIKNDIN KTIIDEEYVN LEPINQSNIS FTKHSWVQTc GTQQLLTEQN DATA SEQUENCE KESISLSVVA PRLDDDEKYc FDFNGVSNKG EKYITKVTLN VVAPSLEVYV DATA SEQUENCE DHASLPTLQQ LMDIIKSEEE NPTAQRYIAW GRIVPTDEQM KELNITSFAL DATA SEQUENCE INNHTPADLV QEIVKQAQTK HRLNVKLSSN TAHSFDNLVP ILKELNSFNN DATA SEQUENCE VTVTNIDLYD DGSAEYVNLY NWRDTLNKTD NLKIGKDYLE DVINGINEDT DATA SEQUENCE SNTGTSSVYN WQKLYPANYH FLRKDYLTLE PSLHELRDYI GDSLKQMQWD DATA SEQUENCE GFKKFNSKQQ ELFLSIVNFD KQKLQNEYNS SNLPNFVFTG TTVWAGNHER DATA SEQUENCE EYYAKQQINV INNAINESSP HYLGNSYDLF FKGHPGGGII NTLIMQNYPS DATA SEQUENCE MVDIPSKISF EVLMMTDMLP DAVAGIASSL YFTIPAEKIK FIVFTSTETI DATA SEQUENCE TDRETALRSP LVQVMIKLGI VKEENVLFWA DLPNcETGVc IAV 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 22 T HA 0.000 nan 4.350 nan 0.000 0.228 22 T C 0.000 174.690 174.700 -0.017 0.000 1.109 22 T CA 0.000 62.089 62.100 -0.018 0.000 1.349 22 T CB 0.000 68.857 68.868 -0.018 0.000 0.612 23 Q N 2.330 122.119 119.800 -0.019 0.000 2.462 23 Q HA 0.510 4.853 4.340 0.005 0.000 0.247 23 Q C 0.627 176.609 176.000 -0.031 0.000 1.044 23 Q CA -0.142 55.647 55.803 -0.024 0.000 0.803 23 Q CB 1.237 29.963 28.738 -0.020 0.000 1.190 23 Q HN 0.394 nan 8.270 nan 0.000 0.507 24 S N 1.889 117.566 115.700 -0.039 0.000 2.679 24 S HA 0.267 4.740 4.470 0.005 0.000 0.233 24 S C 0.521 175.072 174.600 -0.082 0.000 0.951 24 S CA -0.332 57.837 58.200 -0.053 0.000 0.973 24 S CB -0.243 62.928 63.200 -0.048 0.000 0.778 24 S HN 0.538 nan 8.310 nan 0.000 0.477 25 I N 1.975 122.501 120.570 -0.073 0.000 2.496 25 I HA 0.229 4.402 4.170 0.005 0.000 0.285 25 I C -0.106 175.948 176.117 -0.105 0.000 1.080 25 I CA -0.553 60.691 61.300 -0.095 0.000 1.404 25 I CB 0.778 38.746 38.000 -0.053 0.000 1.403 25 I HN 0.175 nan 8.210 nan 0.000 0.539 26 I N 7.691 128.146 120.570 -0.192 0.000 2.337 26 I HA 0.142 4.315 4.170 0.005 0.000 0.291 26 I C 0.216 176.334 176.117 0.002 0.000 1.046 26 I CA -0.060 61.154 61.300 -0.142 0.000 1.324 26 I CB 0.089 37.903 38.000 -0.311 0.000 1.409 26 I HN 0.479 nan 8.210 nan 0.000 0.494 27 K N 4.806 125.223 120.400 0.029 0.000 2.098 27 K HA 0.528 4.850 4.320 0.005 0.000 0.258 27 K C -0.523 176.128 176.600 0.084 0.000 0.973 27 K CA -0.872 55.451 56.287 0.060 0.000 0.898 27 K CB 1.298 33.820 32.500 0.036 0.000 1.057 27 K HN 0.428 nan 8.250 nan 0.000 0.447 28 N N 0.990 119.748 118.700 0.097 0.000 2.484 28 N HA 0.305 5.048 4.740 0.005 0.000 0.269 28 N C -2.282 173.281 175.510 0.088 0.000 1.237 28 N CA -0.642 52.463 53.050 0.092 0.000 0.838 28 N CB 1.838 40.390 38.487 0.108 0.000 1.593 28 N HN 0.491 nan 8.380 nan 0.000 0.485 29 D N 0.870 121.316 120.400 0.076 0.000 2.855 29 D HA 0.510 5.153 4.640 0.005 0.000 0.241 29 D C -0.749 175.596 176.300 0.074 0.000 1.277 29 D CA -0.123 53.924 54.000 0.078 0.000 0.918 29 D CB 1.733 42.570 40.800 0.061 0.000 1.462 29 D HN 0.363 nan 8.370 nan 0.000 0.559 30 I N 2.054 122.679 120.570 0.091 0.000 2.465 30 I HA 0.390 4.563 4.170 0.005 0.000 0.291 30 I C -0.564 175.600 176.117 0.079 0.000 1.014 30 I CA -0.753 60.593 61.300 0.077 0.000 1.093 30 I CB 1.588 39.637 38.000 0.081 0.000 1.267 30 I HN 0.247 nan 8.210 nan 0.000 0.431 31 N N 6.156 124.890 118.700 0.057 0.000 2.296 31 N HA 0.468 5.211 4.740 0.005 0.000 0.294 31 N C -1.514 174.019 175.510 0.040 0.000 1.033 31 N CA -0.513 52.570 53.050 0.055 0.000 0.839 31 N CB 2.080 40.594 38.487 0.045 0.000 1.395 31 N HN 0.485 nan 8.380 nan 0.000 0.479 32 K N 1.335 121.760 120.400 0.042 0.000 2.536 32 K HA 0.510 4.832 4.320 0.005 0.000 0.269 32 K C -1.092 175.525 176.600 0.029 0.000 0.965 32 K CA -0.575 55.727 56.287 0.024 0.000 0.860 32 K CB 1.895 34.398 32.500 0.005 0.000 1.423 32 K HN 0.478 nan 8.250 nan 0.000 0.438 33 T N 1.245 115.809 114.554 0.018 0.000 2.900 33 T HA 0.774 5.127 4.350 0.005 0.000 0.295 33 T C -0.595 174.108 174.700 0.006 0.000 1.044 33 T CA -0.782 61.329 62.100 0.019 0.000 0.995 33 T CB 0.997 69.876 68.868 0.018 0.000 1.072 33 T HN 0.741 nan 8.240 nan 0.000 0.473 34 I N 1.977 122.549 120.570 0.003 0.000 4.754 34 I HA 0.137 4.310 4.170 0.005 0.000 0.310 34 I C -1.678 174.442 176.117 0.005 0.000 1.911 34 I CA -0.864 60.434 61.300 -0.002 0.000 1.329 34 I CB -0.496 37.493 38.000 -0.018 0.000 2.911 34 I HN 0.798 nan 8.210 nan 0.000 0.521 35 I N 2.305 122.874 120.570 -0.001 0.000 2.793 35 I HA 0.693 4.865 4.170 0.005 0.000 0.313 35 I C -0.096 176.020 176.117 -0.001 0.000 0.998 35 I CA -0.505 60.797 61.300 0.003 0.000 1.140 35 I CB 1.012 39.012 38.000 0.000 0.000 1.327 35 I HN 0.456 nan 8.210 nan 0.000 0.491 36 D N 3.602 124.005 120.400 0.006 0.000 2.648 36 D HA -0.011 4.632 4.640 0.005 0.000 0.229 36 D C 0.310 176.610 176.300 -0.000 0.000 1.119 36 D CA 1.060 55.060 54.000 0.001 0.000 0.850 36 D CB 0.119 40.933 40.800 0.023 0.000 1.169 36 D HN 0.810 nan 8.370 nan 0.000 0.489 37 E N -1.028 119.160 120.200 -0.021 0.000 3.916 37 E HA -0.281 4.071 4.350 0.005 0.000 0.331 37 E C 0.056 176.661 176.600 0.008 0.000 0.729 37 E CA 0.641 57.033 56.400 -0.012 0.000 1.222 37 E CB -1.175 28.527 29.700 0.003 0.000 1.633 37 E HN 0.691 nan 8.360 nan 0.000 0.437 38 E N 0.722 120.923 120.200 0.001 0.000 2.344 38 E HA 0.137 4.490 4.350 0.005 0.000 0.270 38 E C -0.513 176.100 176.600 0.021 0.000 1.021 38 E CA -0.264 56.145 56.400 0.016 0.000 0.887 38 E CB 0.463 30.160 29.700 -0.005 0.000 0.997 38 E HN 0.197 nan 8.360 nan 0.000 0.429 39 Y N 4.219 124.479 120.300 -0.067 0.000 2.319 39 Y HA 0.352 4.905 4.550 0.005 0.000 0.328 39 Y C -1.056 174.789 175.900 -0.092 0.000 1.133 39 Y CA -0.434 57.615 58.100 -0.085 0.000 1.265 39 Y CB 0.772 39.188 38.460 -0.073 0.000 1.218 39 Y HN 0.210 nan 8.280 nan 0.000 0.508 40 V N 6.690 126.055 119.914 -0.915 0.000 2.638 40 V HA 0.314 4.436 4.120 0.005 0.000 0.306 40 V C -0.918 174.579 176.094 -0.994 0.000 1.052 40 V CA -1.203 60.658 62.300 -0.731 0.000 0.885 40 V CB 1.783 33.343 31.823 -0.438 0.000 0.999 40 V HN 0.861 nan 8.190 nan 0.000 0.424 41 N N 4.610 122.913 118.700 -0.660 0.000 2.504 41 N HA 0.578 5.321 4.740 0.005 0.000 0.280 41 N C -1.804 173.553 175.510 -0.255 0.000 1.052 41 N CA -0.333 52.456 53.050 -0.434 0.000 0.887 41 N CB 1.708 40.051 38.487 -0.239 0.000 1.323 41 N HN 0.632 nan 8.380 nan 0.000 0.509 42 L N 2.206 123.276 121.223 -0.255 0.000 2.362 42 L HA 0.411 4.753 4.340 0.005 0.000 0.275 42 L C -0.011 176.798 176.870 -0.102 0.000 0.998 42 L CA -0.902 53.843 54.840 -0.158 0.000 0.820 42 L CB 2.127 44.098 42.059 -0.147 0.000 1.270 42 L HN 0.300 nan 8.230 nan 0.000 0.415 43 E N 4.243 124.403 120.200 -0.066 0.000 2.289 43 E HA 0.144 4.497 4.350 0.005 0.000 0.278 43 E C -1.660 174.900 176.600 -0.067 0.000 1.032 43 E CA -1.618 54.743 56.400 -0.065 0.000 0.854 43 E CB 1.318 30.983 29.700 -0.058 0.000 1.046 43 E HN 0.358 nan 8.360 nan 0.000 0.409 44 P HA 0.042 nan 4.420 nan 0.000 0.227 44 P C 0.292 177.470 177.300 -0.203 0.000 1.161 44 P CA 0.532 63.462 63.100 -0.284 0.000 0.788 44 P CB 0.713 31.723 31.700 -1.150 0.000 0.822 45 I N -0.343 120.124 120.570 -0.172 0.000 2.785 45 I HA 0.294 4.467 4.170 0.005 0.000 0.302 45 I C 0.586 176.697 176.117 -0.010 0.000 1.069 45 I CA -0.731 60.541 61.300 -0.047 0.000 1.045 45 I CB 2.120 40.090 38.000 -0.050 0.000 1.236 45 I HN -0.325 nan 8.210 nan 0.000 0.429 46 N N 3.270 121.991 118.700 0.035 0.000 2.338 46 N HA 0.113 4.856 4.740 0.005 0.000 0.251 46 N C -0.009 175.519 175.510 0.030 0.000 1.199 46 N CA 0.043 53.109 53.050 0.026 0.000 0.879 46 N CB 0.673 39.178 38.487 0.030 0.000 1.159 46 N HN 0.508 nan 8.380 nan 0.000 0.514 47 Q N -0.902 118.913 119.800 0.025 0.000 2.319 47 Q HA 0.313 4.656 4.340 0.005 0.000 0.202 47 Q C 0.405 176.396 176.000 -0.014 0.000 0.896 47 Q CA -0.018 55.799 55.803 0.024 0.000 0.942 47 Q CB 1.209 29.988 28.738 0.070 0.000 1.083 47 Q HN 0.072 nan 8.270 nan 0.000 0.510 48 S N -0.140 115.544 115.700 -0.027 0.000 7.416 48 S HA -0.105 4.368 4.470 0.005 0.000 0.039 48 S C -0.505 174.077 174.600 -0.029 0.000 1.548 48 S CA -0.132 58.053 58.200 -0.026 0.000 0.911 48 S CB -1.106 62.081 63.200 -0.022 0.000 0.736 48 S HN 0.605 nan 8.310 nan 0.000 0.539 49 N N 3.565 122.242 118.700 -0.037 0.000 2.237 49 N HA 0.197 4.940 4.740 0.005 0.000 0.245 49 N C -0.148 175.315 175.510 -0.077 0.000 1.239 49 N CA 0.887 53.899 53.050 -0.064 0.000 0.842 49 N CB 0.322 38.778 38.487 -0.051 0.000 1.089 49 N HN 0.898 nan 8.380 nan 0.000 0.454 50 I N -0.667 119.827 120.570 -0.126 0.000 7.870 50 I HA -0.220 3.953 4.170 0.005 0.000 0.126 50 I C -0.991 174.954 176.117 -0.287 0.000 1.847 50 I CA 0.658 61.804 61.300 -0.256 0.000 2.037 50 I CB -0.834 36.978 38.000 -0.313 0.000 3.728 50 I HN 0.840 nan 8.210 nan 0.000 0.169 51 S N 7.541 123.016 115.700 -0.374 0.000 2.614 51 S HA 0.817 5.290 4.470 0.005 0.000 0.288 51 S C -0.852 173.546 174.600 -0.336 0.000 1.137 51 S CA -0.504 57.547 58.200 -0.249 0.000 0.992 51 S CB 0.679 63.814 63.200 -0.109 0.000 1.026 51 S HN 0.335 nan 8.310 nan 0.000 0.486 52 F N 2.721 122.665 119.950 -0.011 0.000 2.420 52 F HA 0.386 4.916 4.527 0.005 0.000 0.342 52 F C 1.721 177.544 175.800 0.039 0.000 1.113 52 F CA -0.430 57.580 58.000 0.016 0.000 1.059 52 F CB 1.868 40.878 39.000 0.017 0.000 1.128 52 F HN 0.558 nan 8.300 nan 0.000 0.475 53 T N 1.039 115.730 114.554 0.229 0.000 2.781 53 T HA 0.017 4.370 4.350 0.005 0.000 0.252 53 T C 0.557 175.355 174.700 0.165 0.000 1.039 53 T CA 0.841 63.032 62.100 0.152 0.000 1.147 53 T CB -0.018 68.912 68.868 0.102 0.000 0.865 53 T HN 0.306 nan 8.240 nan 0.000 0.423 54 K N 1.406 121.909 120.400 0.172 0.000 2.156 54 K HA 0.430 4.752 4.320 0.005 0.000 0.250 54 K C -0.301 176.413 176.600 0.191 0.000 0.955 54 K CA -0.865 55.492 56.287 0.118 0.000 0.855 54 K CB 1.170 33.696 32.500 0.042 0.000 1.101 54 K HN 0.442 nan 8.250 nan 0.000 0.434 55 H N -1.603 117.406 119.070 -0.102 0.000 3.220 55 H HA 0.603 5.162 4.556 0.005 0.000 0.299 55 H C -1.280 173.891 175.328 -0.262 0.000 1.604 55 H CA -1.100 54.759 56.048 -0.315 0.000 1.260 55 H CB 1.304 30.759 29.762 -0.513 0.000 1.846 55 H HN 0.526 nan 8.280 nan 0.000 0.632 56 S N -0.983 114.352 115.700 -0.610 0.000 2.546 56 S HA 0.494 4.967 4.470 0.005 0.000 0.272 56 S C -1.913 172.479 174.600 -0.348 0.000 1.140 56 S CA -0.821 57.100 58.200 -0.465 0.000 0.920 56 S CB 1.284 64.315 63.200 -0.281 0.000 1.083 56 S HN 0.623 nan 8.310 nan 0.000 0.476 57 W N 1.657 122.931 121.300 -0.043 0.000 2.632 57 W HA 0.712 5.374 4.660 0.004 0.000 0.328 57 W C -1.082 175.494 176.519 0.095 0.000 1.044 57 W CA -0.648 56.766 57.345 0.115 0.000 1.225 57 W CB 2.266 31.830 29.460 0.172 0.000 1.396 57 W HN 0.646 nan 8.180 nan 0.000 0.499 58 V N 3.170 123.362 119.914 0.462 0.000 2.668 58 V HA 0.192 4.314 4.120 0.005 0.000 0.304 58 V C -0.332 175.957 176.094 0.325 0.000 1.071 58 V CA -1.187 61.289 62.300 0.293 0.000 0.894 58 V CB 1.587 33.492 31.823 0.137 0.000 1.008 58 V HN 0.509 nan 8.190 nan 0.000 0.425 59 Q N 1.840 121.796 119.800 0.261 0.000 2.297 59 Q HA 0.280 4.622 4.340 0.005 0.000 0.267 59 Q C 0.358 176.316 176.000 -0.070 0.000 1.006 59 Q CA 0.357 56.163 55.803 0.005 0.000 0.896 59 Q CB 1.188 29.948 28.738 0.036 0.000 1.186 59 Q HN 0.854 nan 8.270 nan 0.000 0.392 60 T N 2.231 116.675 114.554 -0.183 0.000 2.958 60 T HA 0.176 4.529 4.350 0.005 0.000 0.256 60 T C -0.573 174.043 174.700 -0.141 0.000 0.983 60 T CA 0.376 62.414 62.100 -0.104 0.000 0.924 60 T CB 0.212 69.056 68.868 -0.041 0.000 1.136 60 T HN 0.817 nan 8.240 nan 0.000 0.506 61 c N -0.628 117.833 118.600 -0.232 0.000 3.311 61 c HA 0.879 5.452 4.570 0.005 0.000 0.325 61 c C -0.176 173.689 174.090 -0.374 0.000 1.352 61 c CA -0.162 56.023 56.329 -0.240 0.000 1.308 61 c CB 1.091 43.481 42.510 -0.201 0.000 1.619 61 c HN 0.773 nan 8.230 nan 0.000 0.469 62 G N 1.026 109.545 108.800 -0.469 0.000 2.742 62 G HA2 0.375 4.338 3.960 0.005 0.000 0.686 62 G HA3 0.375 4.338 3.960 0.005 0.000 0.686 62 G C 0.022 174.678 174.900 -0.406 0.000 1.220 62 G CA 0.377 44.911 45.100 -0.944 0.000 0.783 62 G HN 2.374 nan 8.290 nan 0.000 0.646 63 T N -0.397 113.976 114.554 -0.301 0.000 2.852 63 T HA 0.111 4.463 4.350 0.005 0.000 0.256 63 T C 1.149 175.936 174.700 0.144 0.000 1.038 63 T CA 1.974 64.061 62.100 -0.021 0.000 1.141 63 T CB -0.143 68.713 68.868 -0.021 0.000 0.869 63 T HN 0.667 nan 8.240 nan 0.000 0.439 64 Q N 1.868 121.864 119.800 0.326 0.000 2.332 64 Q HA 0.204 4.547 4.340 0.005 0.000 0.263 64 Q C -0.400 175.743 176.000 0.238 0.000 0.979 64 Q CA -0.295 55.645 55.803 0.228 0.000 0.885 64 Q CB 0.734 29.559 28.738 0.145 0.000 1.218 64 Q HN 0.452 nan 8.270 nan 0.000 0.405 65 Q N 2.728 122.606 119.800 0.131 0.000 2.295 65 Q HA 0.109 4.452 4.340 0.005 0.000 0.259 65 Q C 0.310 176.370 176.000 0.099 0.000 0.976 65 Q CA 0.311 56.187 55.803 0.122 0.000 0.923 65 Q CB 0.936 29.723 28.738 0.082 0.000 1.185 65 Q HN 0.688 nan 8.270 nan 0.000 0.410 66 L N 1.803 123.117 121.223 0.151 0.000 2.672 66 L HA 0.171 4.514 4.340 0.005 0.000 0.236 66 L C 0.208 177.117 176.870 0.064 0.000 1.092 66 L CA -0.101 54.795 54.840 0.093 0.000 0.887 66 L CB 0.375 42.510 42.059 0.127 0.000 1.168 66 L HN 0.332 nan 8.230 nan 0.000 0.502 67 L N 1.615 122.915 121.223 0.129 0.000 2.268 67 L HA 0.162 4.504 4.340 0.005 0.000 0.289 67 L C 1.069 177.967 176.870 0.047 0.000 1.064 67 L CA 0.361 55.243 54.840 0.070 0.000 0.824 67 L CB 0.931 43.083 42.059 0.155 0.000 1.202 67 L HN 0.031 nan 8.230 nan 0.000 0.433 68 T N -0.451 114.111 114.554 0.012 0.000 3.284 68 T HA 0.275 4.628 4.350 0.005 0.000 0.249 68 T C 0.828 175.539 174.700 0.018 0.000 0.944 68 T CA 0.075 62.183 62.100 0.014 0.000 0.919 68 T CB -0.260 68.608 68.868 0.001 0.000 1.089 68 T HN 0.716 nan 8.240 nan 0.000 0.576 69 E N -0.571 119.647 120.200 0.029 0.000 4.795 69 E HA -0.340 4.013 4.350 0.005 0.000 0.162 69 E C 1.143 177.764 176.600 0.034 0.000 1.142 69 E CA 1.736 58.155 56.400 0.032 0.000 2.419 69 E CB -1.249 28.466 29.700 0.026 0.000 1.740 69 E HN 0.539 nan 8.360 nan 0.000 0.493 70 Q N 0.817 120.632 119.800 0.026 0.000 2.398 70 Q HA 0.167 4.509 4.340 0.005 0.000 0.204 70 Q C 1.290 177.309 176.000 0.032 0.000 0.932 70 Q CA 1.417 57.239 55.803 0.032 0.000 0.916 70 Q CB -0.014 28.738 28.738 0.023 0.000 1.024 70 Q HN 0.396 nan 8.270 nan 0.000 0.504 71 N N -0.113 118.592 118.700 0.009 0.000 2.007 71 N HA -0.193 4.549 4.740 0.005 0.000 0.197 71 N C 1.305 176.828 175.510 0.022 0.000 1.050 71 N CA 1.379 54.411 53.050 -0.029 0.000 0.856 71 N CB -0.042 38.398 38.487 -0.078 0.000 1.050 71 N HN 0.149 nan 8.380 nan 0.000 0.423 72 K N 0.590 121.033 120.400 0.072 0.000 2.228 72 K HA -0.153 4.170 4.320 0.005 0.000 0.205 72 K C 1.048 177.800 176.600 0.254 0.000 1.045 72 K CA 0.981 57.375 56.287 0.178 0.000 0.931 72 K CB 0.017 32.588 32.500 0.118 0.000 0.727 72 K HN 0.246 nan 8.250 nan 0.000 0.458 73 E N 0.370 120.685 120.200 0.192 0.000 2.478 73 E HA -0.014 4.339 4.350 0.005 0.000 0.194 73 E C 0.576 177.367 176.600 0.318 0.000 1.045 73 E CA 0.197 56.735 56.400 0.230 0.000 0.868 73 E CB 0.244 30.021 29.700 0.129 0.000 0.885 73 E HN 0.233 nan 8.360 nan 0.000 0.505 74 S N 0.072 115.943 115.700 0.286 0.000 2.608 74 S HA 0.348 4.820 4.470 0.005 0.000 0.291 74 S C 1.149 175.899 174.600 0.250 0.000 1.146 74 S CA -0.758 57.558 58.200 0.193 0.000 1.043 74 S CB 1.537 64.790 63.200 0.088 0.000 1.037 74 S HN 0.072 nan 8.310 nan 0.000 0.520 75 I N 0.520 121.110 120.570 0.033 0.000 2.406 75 I HA 0.120 4.293 4.170 0.005 0.000 0.249 75 I C 0.961 177.184 176.117 0.176 0.000 1.122 75 I CA 0.624 61.893 61.300 -0.053 0.000 1.431 75 I CB -0.628 37.213 38.000 -0.266 0.000 1.087 75 I HN 0.688 nan 8.210 nan 0.000 0.424 76 S N 1.717 117.455 115.700 0.064 0.000 2.580 76 S HA 0.379 4.852 4.470 0.005 0.000 0.274 76 S C -0.264 174.251 174.600 -0.141 0.000 1.329 76 S CA -0.818 57.385 58.200 0.004 0.000 1.036 76 S CB 1.038 64.206 63.200 -0.054 0.000 0.919 76 S HN 0.428 nan 8.310 nan 0.000 0.515 77 L N 3.238 124.219 121.223 -0.405 0.000 2.315 77 L HA 0.530 4.873 4.340 0.005 0.000 0.283 77 L C -0.043 176.455 176.870 -0.620 0.000 1.089 77 L CA 0.526 54.808 54.840 -0.931 0.000 0.833 77 L CB 0.996 42.217 42.059 -1.397 0.000 1.170 77 L HN 0.792 nan 8.230 nan 0.000 0.442 78 S N 4.768 120.148 115.700 -0.534 0.000 2.596 78 S HA 0.822 5.295 4.470 0.005 0.000 0.318 78 S C -0.965 173.402 174.600 -0.388 0.000 1.097 78 S CA -0.432 57.533 58.200 -0.393 0.000 1.080 78 S CB 0.614 63.735 63.200 -0.130 0.000 0.991 78 S HN 0.652 nan 8.310 nan 0.000 0.471 79 V N 2.135 121.778 119.914 -0.451 0.000 3.087 79 V HA 0.767 4.890 4.120 0.005 0.000 0.306 79 V C -0.922 175.032 176.094 -0.234 0.000 1.187 79 V CA -0.945 61.150 62.300 -0.340 0.000 0.999 79 V CB 1.634 33.161 31.823 -0.493 0.000 1.049 79 V HN 0.413 nan 8.190 nan 0.000 0.431 80 V N 2.090 121.935 119.914 -0.114 0.000 2.398 80 V HA 0.794 4.916 4.120 0.005 0.000 0.286 80 V C 0.927 176.953 176.094 -0.113 0.000 1.026 80 V CA 0.013 62.281 62.300 -0.053 0.000 0.868 80 V CB 1.338 33.163 31.823 0.004 0.000 0.982 80 V HN 1.428 nan 8.190 nan 0.000 0.443 81 A N 8.383 131.136 122.820 -0.112 0.000 2.483 81 A HA 0.540 4.862 4.320 0.005 0.000 0.238 81 A C -1.959 175.542 177.584 -0.139 0.000 1.070 81 A CA -0.697 51.252 52.037 -0.146 0.000 0.770 81 A CB -0.184 18.761 19.000 -0.093 0.000 1.008 81 A HN 0.660 nan 8.150 nan 0.000 0.497 82 P HA 0.255 nan 4.420 nan 0.000 0.277 82 P C -0.775 176.479 177.300 -0.076 0.000 1.271 82 P CA -0.503 62.514 63.100 -0.139 0.000 0.795 82 P CB 0.620 32.216 31.700 -0.174 0.000 1.101 83 R N 0.557 121.020 120.500 -0.062 0.000 2.265 83 R HA 0.537 4.880 4.340 0.005 0.000 0.314 83 R C -0.142 176.159 176.300 0.003 0.000 1.053 83 R CA -0.403 55.675 56.100 -0.037 0.000 0.931 83 R CB 0.135 30.379 30.300 -0.093 0.000 1.024 83 R HN 0.472 nan 8.270 nan 0.000 0.457 84 L N 1.195 122.436 121.223 0.031 0.000 2.309 84 L HA 0.351 4.693 4.340 0.005 0.000 0.261 84 L C 0.346 177.247 176.870 0.051 0.000 1.021 84 L CA -0.797 54.073 54.840 0.050 0.000 0.823 84 L CB 2.100 44.201 42.059 0.070 0.000 1.366 84 L HN 0.534 nan 8.230 nan 0.000 0.423 85 D N -0.744 119.686 120.400 0.049 0.000 2.338 85 D HA 0.104 4.746 4.640 0.005 0.000 0.208 85 D C -0.500 175.823 176.300 0.038 0.000 0.997 85 D CA 0.808 54.833 54.000 0.043 0.000 0.880 85 D CB 0.756 41.578 40.800 0.037 0.000 0.980 85 D HN 0.422 nan 8.370 nan 0.000 0.509 86 D N 1.096 121.521 120.400 0.043 0.000 2.934 86 D HA 0.123 4.765 4.640 0.005 0.000 0.230 86 D C -0.810 175.519 176.300 0.049 0.000 1.204 86 D CA -0.506 53.516 54.000 0.037 0.000 0.873 86 D CB 2.236 43.053 40.800 0.028 0.000 1.645 86 D HN -0.237 nan 8.370 nan 0.000 0.502 87 D N 1.325 121.751 120.400 0.043 0.000 2.548 87 D HA 0.056 4.699 4.640 0.005 0.000 0.231 87 D C 0.234 176.569 176.300 0.058 0.000 1.142 87 D CA 1.110 55.141 54.000 0.053 0.000 0.866 87 D CB 0.882 41.704 40.800 0.037 0.000 1.190 87 D HN 0.350 nan 8.370 nan 0.000 0.469 88 E N 0.665 120.920 120.200 0.092 0.000 2.354 88 E HA 0.173 4.525 4.350 0.005 0.000 0.283 88 E C -1.195 175.470 176.600 0.109 0.000 0.938 88 E CA -0.775 55.669 56.400 0.073 0.000 0.777 88 E CB 1.282 31.045 29.700 0.105 0.000 1.222 88 E HN 0.141 nan 8.360 nan 0.000 0.423 89 K N 2.509 122.901 120.400 -0.014 0.000 2.205 89 K HA 0.314 4.637 4.320 0.005 0.000 0.279 89 K C -1.192 175.308 176.600 -0.167 0.000 1.027 89 K CA -0.244 56.042 56.287 -0.001 0.000 0.932 89 K CB 0.737 33.220 32.500 -0.028 0.000 1.032 89 K HN 0.297 nan 8.250 nan 0.000 0.466 90 Y N 0.729 121.014 120.300 -0.025 0.000 2.409 90 Y HA 0.300 4.853 4.550 0.005 0.000 0.343 90 Y C -0.239 175.543 175.900 -0.196 0.000 0.973 90 Y CA -0.721 57.308 58.100 -0.119 0.000 1.064 90 Y CB 1.504 39.956 38.460 -0.013 0.000 1.207 90 Y HN 0.542 nan 8.280 nan 0.000 0.452 91 c N 3.608 121.997 118.600 -0.351 0.000 2.456 91 c HA 0.720 5.293 4.570 0.005 0.000 0.325 91 c C -0.990 172.719 174.090 -0.635 0.000 1.217 91 c CA -1.312 54.847 56.329 -0.283 0.000 1.687 91 c CB -0.113 42.304 42.510 -0.154 0.000 2.270 91 c HN 0.640 nan 8.230 nan 0.000 0.499 92 F N 1.026 121.085 119.950 0.182 0.000 2.557 92 F HA 0.392 4.921 4.527 0.005 0.000 0.316 92 F C -0.442 175.580 175.800 0.371 0.000 1.141 92 F CA -0.501 57.669 58.000 0.283 0.000 0.922 92 F CB 1.351 40.506 39.000 0.259 0.000 1.194 92 F HN 0.435 nan 8.300 nan 0.000 0.443 93 D N 3.131 123.805 120.400 0.456 0.000 2.344 93 D HA 0.242 4.885 4.640 0.005 0.000 0.239 93 D C -1.011 175.365 176.300 0.126 0.000 1.064 93 D CA -0.176 53.979 54.000 0.258 0.000 0.829 93 D CB 1.455 42.322 40.800 0.112 0.000 1.129 93 D HN 0.294 nan 8.370 nan 0.000 0.506 94 F N 2.702 122.438 119.950 -0.357 0.000 2.408 94 F HA 0.409 4.938 4.527 0.005 0.000 0.344 94 F C -0.323 175.200 175.800 -0.462 0.000 1.112 94 F CA -0.397 57.045 58.000 -0.930 0.000 1.096 94 F CB 0.693 38.702 39.000 -1.651 0.000 1.129 94 F HN 0.085 nan 8.300 nan 0.000 0.486 95 N N 3.576 121.561 118.700 -1.191 0.000 2.284 95 N HA 0.598 5.341 4.740 0.005 0.000 0.300 95 N C -0.875 173.872 175.510 -1.271 0.000 1.047 95 N CA -0.611 51.888 53.050 -0.919 0.000 0.821 95 N CB 2.100 40.328 38.487 -0.431 0.000 1.337 95 N HN 0.878 nan 8.380 nan 0.000 0.482 96 G N -0.045 108.300 108.800 -0.758 0.000 2.659 96 G HA2 0.548 4.511 3.960 0.005 0.000 0.296 96 G HA3 0.548 4.511 3.960 0.005 0.000 0.296 96 G C -1.329 173.732 174.900 0.268 0.000 1.369 96 G CA -0.334 44.559 45.100 -0.344 0.000 0.937 96 G HN 0.265 nan 8.290 nan 0.000 0.485 97 V N 1.630 121.767 119.914 0.371 0.000 2.378 97 V HA 0.517 4.640 4.120 0.005 0.000 0.288 97 V C 0.761 177.063 176.094 0.347 0.000 1.016 97 V CA -0.728 61.770 62.300 0.330 0.000 0.840 97 V CB 0.939 32.854 31.823 0.154 0.000 0.994 97 V HN 1.076 nan 8.190 nan 0.000 0.431 98 S N 3.156 118.969 115.700 0.189 0.000 2.617 98 S HA 0.067 4.539 4.470 0.005 0.000 0.259 98 S C 1.060 175.644 174.600 -0.026 0.000 1.301 98 S CA 0.280 58.403 58.200 -0.129 0.000 0.984 98 S CB 0.048 63.139 63.200 -0.182 0.000 0.954 98 S HN 0.926 nan 8.310 nan 0.000 0.572 99 N N -0.049 118.606 118.700 -0.075 0.000 2.571 99 N HA -0.027 4.716 4.740 0.005 0.000 0.189 99 N C 0.966 176.467 175.510 -0.015 0.000 1.154 99 N CA 0.097 53.131 53.050 -0.026 0.000 0.907 99 N CB -0.106 38.361 38.487 -0.033 0.000 0.977 99 N HN 0.447 nan 8.380 nan 0.000 0.449 100 K N 0.198 120.589 120.400 -0.016 0.000 2.404 100 K HA 0.096 4.419 4.320 0.005 0.000 0.194 100 K C 0.535 177.138 176.600 0.005 0.000 1.023 100 K CA 0.060 56.343 56.287 -0.005 0.000 1.094 100 K CB 0.800 33.296 32.500 -0.007 0.000 0.841 100 K HN 0.254 nan 8.250 nan 0.000 0.523 101 G N 1.878 110.686 108.800 0.013 0.000 2.696 101 G HA2 0.159 4.121 3.960 0.005 0.000 0.329 101 G HA3 0.159 4.121 3.960 0.005 0.000 0.329 101 G C -0.666 174.257 174.900 0.039 0.000 0.973 101 G CA -0.249 44.869 45.100 0.030 0.000 1.257 101 G HN 0.068 nan 8.290 nan 0.000 0.456 102 E N 1.341 121.576 120.200 0.059 0.000 2.319 102 E HA 0.334 4.686 4.350 0.005 0.000 0.268 102 E C 0.117 176.755 176.600 0.064 0.000 1.050 102 E CA -0.341 56.070 56.400 0.019 0.000 0.878 102 E CB 1.110 30.804 29.700 -0.009 0.000 1.066 102 E HN 0.312 nan 8.360 nan 0.000 0.406 103 K N 2.378 122.741 120.400 -0.063 0.000 2.156 103 K HA 0.323 4.646 4.320 0.005 0.000 0.271 103 K C -1.193 175.322 176.600 -0.142 0.000 0.995 103 K CA -0.361 55.923 56.287 -0.004 0.000 0.890 103 K CB 0.981 33.465 32.500 -0.027 0.000 1.073 103 K HN 0.402 nan 8.250 nan 0.000 0.454 104 Y N 1.659 122.033 120.300 0.123 0.000 2.462 104 Y HA 0.549 5.101 4.550 0.005 0.000 0.346 104 Y C -0.328 175.604 175.900 0.053 0.000 0.976 104 Y CA -1.089 57.108 58.100 0.160 0.000 1.044 104 Y CB 1.937 40.627 38.460 0.383 0.000 1.230 104 Y HN 0.413 nan 8.280 nan 0.000 0.455 105 I N 2.246 122.938 120.570 0.205 0.000 2.569 105 I HA 0.484 4.657 4.170 0.005 0.000 0.290 105 I C -1.270 174.953 176.117 0.178 0.000 1.088 105 I CA -0.243 61.124 61.300 0.112 0.000 1.047 105 I CB 1.853 39.872 38.000 0.031 0.000 1.237 105 I HN 0.701 nan 8.210 nan 0.000 0.421 106 T N 6.042 120.716 114.554 0.199 0.000 2.928 106 T HA 0.481 4.834 4.350 0.005 0.000 0.296 106 T C -1.175 173.624 174.700 0.165 0.000 1.000 106 T CA -0.795 61.407 62.100 0.169 0.000 0.989 106 T CB 1.233 70.194 68.868 0.154 0.000 1.005 106 T HN 0.430 nan 8.240 nan 0.000 0.442 107 K N 3.876 124.365 120.400 0.147 0.000 2.234 107 K HA 0.542 4.864 4.320 0.005 0.000 0.277 107 K C -0.690 176.026 176.600 0.192 0.000 1.038 107 K CA -0.606 55.777 56.287 0.160 0.000 0.888 107 K CB 1.848 34.410 32.500 0.103 0.000 1.091 107 K HN 0.509 nan 8.250 nan 0.000 0.467 108 V N 2.733 122.809 119.914 0.271 0.000 2.459 108 V HA 0.312 4.434 4.120 0.005 0.000 0.295 108 V C -0.115 176.123 176.094 0.241 0.000 1.029 108 V CA -0.628 61.838 62.300 0.276 0.000 0.874 108 V CB 1.947 34.004 31.823 0.389 0.000 0.985 108 V HN 0.698 nan 8.190 nan 0.000 0.438 109 T N 6.532 121.189 114.554 0.172 0.000 2.809 109 T HA 0.603 4.956 4.350 0.005 0.000 0.284 109 T C -0.510 174.278 174.700 0.146 0.000 0.992 109 T CA -0.303 61.881 62.100 0.140 0.000 0.957 109 T CB 0.816 69.735 68.868 0.084 0.000 0.942 109 T HN 0.362 nan 8.240 nan 0.000 0.439 110 L N 4.332 125.669 121.223 0.190 0.000 2.294 110 L HA 0.454 4.797 4.340 0.005 0.000 0.283 110 L C 0.045 177.008 176.870 0.155 0.000 1.015 110 L CA -0.993 53.947 54.840 0.168 0.000 0.831 110 L CB 0.808 42.996 42.059 0.214 0.000 1.217 110 L HN 0.535 nan 8.230 nan 0.000 0.420 111 N N 3.843 122.603 118.700 0.100 0.000 2.415 111 N HA 0.163 4.906 4.740 0.005 0.000 0.246 111 N C -0.467 175.094 175.510 0.085 0.000 1.078 111 N CA -0.209 52.893 53.050 0.086 0.000 0.942 111 N CB 1.875 40.394 38.487 0.054 0.000 1.140 111 N HN 0.214 nan 8.380 nan 0.000 0.501 112 V N 2.741 122.726 119.914 0.119 0.000 2.406 112 V HA 0.285 4.408 4.120 0.005 0.000 0.272 112 V C 0.665 176.800 176.094 0.070 0.000 1.043 112 V CA -0.677 61.677 62.300 0.090 0.000 0.915 112 V CB 0.998 32.884 31.823 0.105 0.000 0.988 112 V HN 0.422 nan 8.190 nan 0.000 0.466 113 V N 2.308 122.247 119.914 0.042 0.000 2.914 113 V HA 0.976 5.098 4.120 0.005 0.000 0.314 113 V C 0.288 176.395 176.094 0.022 0.000 1.084 113 V CA -1.105 61.214 62.300 0.031 0.000 0.963 113 V CB 1.698 33.535 31.823 0.022 0.000 1.025 113 V HN 1.042 nan 8.190 nan 0.000 0.432 114 A N 3.485 126.316 122.820 0.018 0.000 2.565 114 A HA 0.508 4.831 4.320 0.005 0.000 0.237 114 A C -2.174 175.408 177.584 -0.004 0.000 1.053 114 A CA -0.526 51.517 52.037 0.010 0.000 0.755 114 A CB -0.937 18.067 19.000 0.006 0.000 0.980 114 A HN 0.847 nan 8.150 nan 0.000 0.506 115 P HA 0.142 nan 4.420 nan 0.000 0.265 115 P C -0.230 177.041 177.300 -0.047 0.000 1.193 115 P CA 0.446 63.532 63.100 -0.025 0.000 0.765 115 P CB 0.714 32.401 31.700 -0.022 0.000 0.823 116 S N 2.659 118.320 115.700 -0.065 0.000 2.569 116 S HA 0.781 5.253 4.470 0.005 0.000 0.280 116 S C -1.356 173.158 174.600 -0.142 0.000 1.111 116 S CA -0.782 57.364 58.200 -0.090 0.000 0.887 116 S CB 1.282 64.442 63.200 -0.065 0.000 1.095 116 S HN 0.259 nan 8.310 nan 0.000 0.476 117 L N 0.923 122.035 121.223 -0.186 0.000 2.401 117 L HA 0.682 5.025 4.340 0.005 0.000 0.266 117 L C -1.189 175.519 176.870 -0.270 0.000 0.991 117 L CA -0.240 54.426 54.840 -0.290 0.000 0.818 117 L CB 1.993 43.837 42.059 -0.359 0.000 1.321 117 L HN 0.964 nan 8.230 nan 0.000 0.413 118 E N 3.414 123.437 120.200 -0.296 0.000 2.218 118 E HA 0.581 4.934 4.350 0.005 0.000 0.263 118 E C -1.524 174.836 176.600 -0.400 0.000 0.879 118 E CA -0.673 55.525 56.400 -0.336 0.000 0.762 118 E CB 2.449 32.050 29.700 -0.165 0.000 1.166 118 E HN 0.347 nan 8.360 nan 0.000 0.415 119 V N 3.758 123.367 119.914 -0.510 0.000 2.495 119 V HA 0.414 4.537 4.120 0.005 0.000 0.298 119 V C -1.151 174.679 176.094 -0.440 0.000 1.031 119 V CA -0.758 61.350 62.300 -0.320 0.000 0.871 119 V CB 0.666 32.359 31.823 -0.217 0.000 0.988 119 V HN 0.587 nan 8.190 nan 0.000 0.432 120 Y N 2.933 123.215 120.300 -0.031 0.000 2.346 120 Y HA 0.720 5.273 4.550 0.004 0.000 0.332 120 Y C -0.344 175.601 175.900 0.074 0.000 0.985 120 Y CA -1.028 57.102 58.100 0.051 0.000 1.112 120 Y CB 2.230 40.757 38.460 0.112 0.000 1.170 120 Y HN 0.357 nan 8.280 nan 0.000 0.447 121 V N 2.852 122.930 119.914 0.273 0.000 2.577 121 V HA 0.632 4.755 4.120 0.005 0.000 0.303 121 V C -1.172 175.106 176.094 0.308 0.000 1.042 121 V CA -0.559 61.892 62.300 0.252 0.000 0.872 121 V CB 1.937 33.838 31.823 0.130 0.000 0.998 121 V HN 0.814 nan 8.190 nan 0.000 0.423 122 D N 1.141 121.758 120.400 0.361 0.000 2.706 122 D HA 0.321 4.964 4.640 0.005 0.000 0.227 122 D C 0.155 176.556 176.300 0.167 0.000 1.233 122 D CA -0.393 53.741 54.000 0.224 0.000 0.768 122 D CB 1.280 42.149 40.800 0.116 0.000 1.490 122 D HN 0.663 nan 8.370 nan 0.000 0.458 123 H N 1.427 120.475 119.070 -0.036 0.000 2.874 123 H HA 0.593 5.152 4.556 0.005 0.000 0.264 123 H C 0.312 175.563 175.328 -0.129 0.000 1.007 123 H CA 0.257 56.249 56.048 -0.093 0.000 1.207 123 H CB 0.054 29.687 29.762 -0.215 0.000 1.487 123 H HN 0.281 nan 8.280 nan 0.000 0.505 124 A N 1.013 123.367 122.820 -0.777 0.000 3.516 124 A HA 0.501 4.824 4.320 0.005 0.000 0.164 124 A C 1.290 178.706 177.584 -0.279 0.000 1.887 124 A CA 0.283 51.973 52.037 -0.580 0.000 0.978 124 A CB 0.241 18.872 19.000 -0.616 0.000 1.863 124 A HN 0.258 nan 8.150 nan 0.000 0.697 125 S N -2.108 113.474 115.700 -0.197 0.000 2.891 125 S HA 0.110 4.583 4.470 0.005 0.000 0.247 125 S C 1.710 176.211 174.600 -0.164 0.000 1.063 125 S CA 0.418 58.512 58.200 -0.177 0.000 0.857 125 S CB -0.465 62.648 63.200 -0.145 0.000 0.800 125 S HN 0.416 nan 8.310 nan 0.000 0.540 126 L N 3.309 124.474 121.223 -0.097 0.000 1.976 126 L HA 0.049 4.392 4.340 0.005 0.000 0.209 126 L C -1.354 175.470 176.870 -0.077 0.000 1.071 126 L CA 2.067 56.891 54.840 -0.027 0.000 0.746 126 L CB -1.450 40.634 42.059 0.042 0.000 0.890 126 L HN 0.137 nan 8.230 nan 0.000 0.432 127 P HA -0.112 nan 4.420 nan 0.000 0.216 127 P C 1.636 178.814 177.300 -0.204 0.000 1.150 127 P CA 1.663 64.726 63.100 -0.061 0.000 0.837 127 P CB -0.143 31.595 31.700 0.063 0.000 0.786 128 T N -0.215 114.167 114.554 -0.287 0.000 2.821 128 T HA -0.119 4.234 4.350 0.005 0.000 0.267 128 T C 1.654 176.008 174.700 -0.577 0.000 1.046 128 T CA 0.868 62.616 62.100 -0.587 0.000 1.139 128 T CB -0.846 67.533 68.868 -0.814 0.000 0.871 128 T HN -0.007 nan 8.240 nan 0.000 0.454 129 L N 1.250 122.256 121.223 -0.363 0.000 2.017 129 L HA -0.077 4.266 4.340 0.005 0.000 0.208 129 L C 2.445 179.204 176.870 -0.184 0.000 1.073 129 L CA 1.774 56.492 54.840 -0.204 0.000 0.745 129 L CB -0.646 41.380 42.059 -0.056 0.000 0.894 129 L HN 0.113 nan 8.230 nan 0.000 0.432 130 Q N -0.529 119.054 119.800 -0.360 0.000 2.119 130 Q HA -0.226 4.116 4.340 0.005 0.000 0.201 130 Q C 2.213 177.905 176.000 -0.514 0.000 0.972 130 Q CA 1.861 57.297 55.803 -0.611 0.000 0.847 130 Q CB -0.275 27.733 28.738 -1.217 0.000 0.903 130 Q HN 0.704 nan 8.270 nan 0.000 0.433 131 Q N 0.331 119.907 119.800 -0.373 0.000 2.084 131 Q HA -0.071 4.271 4.340 0.005 0.000 0.202 131 Q C 2.254 178.242 176.000 -0.021 0.000 0.978 131 Q CA 0.673 56.450 55.803 -0.043 0.000 0.844 131 Q CB -0.127 28.787 28.738 0.293 0.000 0.898 131 Q HN 0.301 nan 8.270 nan 0.000 0.426 132 L N 0.337 121.573 121.223 0.021 0.000 2.013 132 L HA -0.251 4.092 4.340 0.005 0.000 0.212 132 L C 2.312 179.302 176.870 0.200 0.000 1.073 132 L CA 1.467 56.405 54.840 0.163 0.000 0.753 132 L CB -0.168 41.950 42.059 0.099 0.000 0.890 132 L HN 0.432 nan 8.230 nan 0.000 0.432 133 M N -0.874 118.835 119.600 0.181 0.000 2.159 133 M HA -0.225 4.258 4.480 0.005 0.000 0.263 133 M C 1.638 178.055 176.300 0.195 0.000 1.063 133 M CA 1.537 56.982 55.300 0.241 0.000 1.110 133 M CB -0.540 32.044 32.600 -0.026 0.000 1.374 133 M HN 0.223 nan 8.290 nan 0.000 0.411 134 D N 0.736 121.181 120.400 0.075 0.000 2.144 134 D HA -0.084 4.558 4.640 0.005 0.000 0.199 134 D C 1.869 178.244 176.300 0.124 0.000 0.984 134 D CA 1.243 55.317 54.000 0.123 0.000 0.834 134 D CB -0.211 40.719 40.800 0.218 0.000 0.955 134 D HN 0.383 nan 8.370 nan 0.000 0.465 135 I N 0.523 121.100 120.570 0.013 0.000 2.193 135 I HA -0.185 3.988 4.170 0.005 0.000 0.240 135 I C 2.372 178.500 176.117 0.017 0.000 1.084 135 I CA 0.599 61.876 61.300 -0.039 0.000 1.365 135 I CB -0.053 37.833 38.000 -0.191 0.000 1.064 135 I HN -0.072 nan 8.210 nan 0.000 0.410 136 I N 0.778 121.359 120.570 0.017 0.000 2.163 136 I HA -0.358 3.815 4.170 0.005 0.000 0.243 136 I C 2.616 178.706 176.117 -0.045 0.000 1.085 136 I CA 1.564 62.806 61.300 -0.097 0.000 1.347 136 I CB -0.486 37.302 38.000 -0.354 0.000 1.044 136 I HN 0.222 nan 8.210 nan 0.000 0.408 137 K N 0.623 121.106 120.400 0.138 0.000 2.063 137 K HA -0.227 4.096 4.320 0.005 0.000 0.208 137 K C 2.328 178.980 176.600 0.086 0.000 1.048 137 K CA 1.879 58.267 56.287 0.169 0.000 0.928 137 K CB -0.121 32.507 32.500 0.213 0.000 0.713 137 K HN 0.157 nan 8.250 nan 0.000 0.442 138 S N 0.535 116.286 115.700 0.084 0.000 2.428 138 S HA -0.118 4.355 4.470 0.005 0.000 0.230 138 S C 1.856 176.481 174.600 0.042 0.000 1.014 138 S CA 0.923 59.167 58.200 0.073 0.000 0.957 138 S CB -0.268 62.999 63.200 0.111 0.000 0.784 138 S HN 0.375 nan 8.310 nan 0.000 0.499 139 E N 1.327 121.540 120.200 0.022 0.000 2.153 139 E HA -0.187 4.166 4.350 0.005 0.000 0.194 139 E C 1.900 178.500 176.600 -0.000 0.000 0.988 139 E CA 1.305 57.706 56.400 0.003 0.000 0.811 139 E CB -0.260 29.428 29.700 -0.020 0.000 0.746 139 E HN 0.834 nan 8.360 nan 0.000 0.466 140 E N 0.277 120.478 120.200 0.001 0.000 2.033 140 E HA -0.145 4.208 4.350 0.005 0.000 0.189 140 E C 1.868 178.477 176.600 0.015 0.000 0.979 140 E CA 0.897 57.300 56.400 0.005 0.000 0.802 140 E CB 0.025 29.729 29.700 0.007 0.000 0.763 140 E HN 0.267 nan 8.360 nan 0.000 0.449 141 E N -0.050 120.165 120.200 0.025 0.000 2.152 141 E HA -0.082 4.271 4.350 0.005 0.000 0.192 141 E C 0.045 176.658 176.600 0.021 0.000 0.983 141 E CA 0.812 57.227 56.400 0.026 0.000 0.818 141 E CB 0.054 29.775 29.700 0.034 0.000 0.758 141 E HN 0.248 nan 8.360 nan 0.000 0.467 142 N N 0.724 119.437 118.700 0.021 0.000 2.765 142 N HA 0.082 4.825 4.740 0.005 0.000 0.277 142 N C -2.241 173.275 175.510 0.010 0.000 1.750 142 N CA -0.845 52.214 53.050 0.015 0.000 0.827 142 N CB 1.392 39.888 38.487 0.016 0.000 1.200 142 N HN -0.038 nan 8.380 nan 0.000 0.494 143 P HA -0.213 nan 4.420 nan 0.000 0.218 143 P C 1.105 178.404 177.300 -0.000 0.000 1.146 143 P CA 1.521 64.622 63.100 0.003 0.000 0.813 143 P CB 0.098 31.800 31.700 0.002 0.000 0.778 144 T N -4.170 110.383 114.554 -0.002 0.000 3.086 144 T HA 0.428 4.781 4.350 0.005 0.000 0.250 144 T C 0.948 175.638 174.700 -0.017 0.000 1.074 144 T CA -0.163 61.933 62.100 -0.007 0.000 0.988 144 T CB -0.491 68.374 68.868 -0.005 0.000 0.988 144 T HN 0.080 nan 8.240 nan 0.000 0.530 145 A N 1.971 124.781 122.820 -0.017 0.000 2.498 145 A HA 0.439 4.761 4.320 0.005 0.000 0.239 145 A C 0.391 177.950 177.584 -0.042 0.000 1.068 145 A CA -0.342 51.674 52.037 -0.036 0.000 0.766 145 A CB 0.205 19.192 19.000 -0.022 0.000 1.003 145 A HN 0.386 nan 8.150 nan 0.000 0.497 146 Q N 0.926 120.671 119.800 -0.090 0.000 2.230 146 Q HA 0.444 4.786 4.340 0.005 0.000 0.248 146 Q C -0.500 175.403 176.000 -0.161 0.000 0.915 146 Q CA 0.085 55.824 55.803 -0.108 0.000 0.900 146 Q CB 1.531 30.171 28.738 -0.163 0.000 1.229 146 Q HN 0.728 nan 8.270 nan 0.000 0.439 147 R N 1.931 122.403 120.500 -0.046 0.000 2.532 147 R HA 0.448 4.791 4.340 0.005 0.000 0.297 147 R C -1.086 175.363 176.300 0.248 0.000 0.984 147 R CA -0.669 55.462 56.100 0.052 0.000 0.884 147 R CB 1.423 31.797 30.300 0.123 0.000 1.182 147 R HN 0.418 nan 8.270 nan 0.000 0.442 148 Y N 3.673 124.024 120.300 0.084 0.000 2.341 148 Y HA 0.479 5.032 4.550 0.005 0.000 0.338 148 Y C 0.468 176.390 175.900 0.038 0.000 0.965 148 Y CA -1.752 56.405 58.100 0.096 0.000 1.108 148 Y CB 1.376 39.845 38.460 0.014 0.000 1.180 148 Y HN 0.495 nan 8.280 nan 0.000 0.458 149 I N 0.172 120.800 120.570 0.096 0.000 2.646 149 I HA 1.015 5.187 4.170 0.005 0.000 0.299 149 I C -0.768 175.305 176.117 -0.074 0.000 1.036 149 I CA -1.175 59.976 61.300 -0.248 0.000 1.074 149 I CB 2.483 39.891 38.000 -0.986 0.000 1.258 149 I HN 0.559 nan 8.210 nan 0.000 0.430 150 A N 5.333 128.109 122.820 -0.073 0.000 2.605 150 A HA 0.627 4.950 4.320 0.005 0.000 0.293 150 A C -1.692 176.025 177.584 0.223 0.000 1.216 150 A CA -0.272 51.819 52.037 0.090 0.000 0.742 150 A CB 0.337 19.405 19.000 0.113 0.000 1.170 150 A HN 0.693 nan 8.150 nan 0.000 0.443 151 W N 0.908 122.257 121.300 0.081 0.000 2.689 151 W HA 0.587 5.249 4.660 0.005 0.000 0.340 151 W C 0.868 177.406 176.519 0.031 0.000 1.060 151 W CA -0.461 56.911 57.345 0.045 0.000 1.218 151 W CB 2.174 31.648 29.460 0.023 0.000 1.410 151 W HN 0.655 nan 8.180 nan 0.000 0.528 152 G N 1.099 110.034 108.800 0.226 0.000 2.510 152 G HA2 -0.032 3.930 3.960 0.005 0.000 0.212 152 G HA3 -0.032 3.930 3.960 0.005 0.000 0.212 152 G C 1.133 176.079 174.900 0.076 0.000 1.151 152 G CA 0.304 45.478 45.100 0.122 0.000 0.817 152 G HN 0.350 nan 8.290 nan 0.000 0.534 153 R N -0.722 119.785 120.500 0.012 0.000 2.476 153 R HA 0.408 4.751 4.340 0.005 0.000 0.276 153 R C -0.336 175.920 176.300 -0.073 0.000 0.941 153 R CA -0.017 56.061 56.100 -0.037 0.000 1.088 153 R CB 0.953 31.206 30.300 -0.079 0.000 1.216 153 R HN 0.270 nan 8.270 nan 0.000 0.533 154 I N 1.145 121.682 120.570 -0.056 0.000 2.498 154 I HA 0.255 4.427 4.170 0.005 0.000 0.290 154 I C -0.897 175.330 176.117 0.184 0.000 1.032 154 I CA -1.118 60.166 61.300 -0.026 0.000 1.073 154 I CB 2.911 40.767 38.000 -0.241 0.000 1.251 154 I HN -0.298 nan 8.210 nan 0.000 0.426 155 V N 7.916 127.906 119.914 0.126 0.000 2.398 155 V HA 0.566 4.689 4.120 0.005 0.000 0.282 155 V C -2.500 173.653 176.094 0.099 0.000 1.014 155 V CA -1.591 60.792 62.300 0.138 0.000 0.838 155 V CB 1.517 33.391 31.823 0.085 0.000 1.018 155 V HN 0.527 nan 8.190 nan 0.000 0.432 156 P HA 0.321 nan 4.420 nan 0.000 0.271 156 P C 0.305 177.621 177.300 0.027 0.000 1.218 156 P CA 0.153 63.296 63.100 0.072 0.000 0.780 156 P CB 0.565 32.312 31.700 0.078 0.000 0.901 157 T N -1.548 113.013 114.554 0.012 0.000 2.748 157 T HA 0.031 4.384 4.350 0.005 0.000 0.304 157 T C 0.833 175.526 174.700 -0.012 0.000 1.041 157 T CA -0.246 61.852 62.100 -0.003 0.000 1.033 157 T CB 0.238 69.103 68.868 -0.005 0.000 0.995 157 T HN 0.258 nan 8.240 nan 0.000 0.536 158 D N 0.648 121.036 120.400 -0.020 0.000 2.149 158 D HA -0.074 4.569 4.640 0.005 0.000 0.198 158 D C 1.999 178.285 176.300 -0.023 0.000 0.990 158 D CA 1.320 55.303 54.000 -0.028 0.000 0.839 158 D CB -0.223 40.559 40.800 -0.031 0.000 0.948 158 D HN 0.711 nan 8.370 nan 0.000 0.460 159 E N 0.746 120.936 120.200 -0.017 0.000 2.047 159 E HA -0.134 4.219 4.350 0.005 0.000 0.191 159 E C 2.201 178.793 176.600 -0.014 0.000 0.987 159 E CA 0.805 57.195 56.400 -0.016 0.000 0.799 159 E CB -0.183 29.509 29.700 -0.014 0.000 0.752 159 E HN 0.342 nan 8.360 nan 0.000 0.449 160 Q N -0.229 119.565 119.800 -0.010 0.000 2.050 160 Q HA -0.129 4.214 4.340 0.005 0.000 0.202 160 Q C 2.228 178.222 176.000 -0.010 0.000 0.980 160 Q CA 1.533 57.333 55.803 -0.006 0.000 0.840 160 Q CB -0.151 28.590 28.738 0.006 0.000 0.898 160 Q HN 0.316 nan 8.270 nan 0.000 0.424 161 M N 0.370 119.960 119.600 -0.016 0.000 2.073 161 M HA -0.230 4.253 4.480 0.005 0.000 0.258 161 M C 2.309 178.595 176.300 -0.022 0.000 1.070 161 M CA 1.418 56.701 55.300 -0.029 0.000 1.103 161 M CB -0.366 32.208 32.600 -0.043 0.000 1.321 161 M HN 0.055 nan 8.290 nan 0.000 0.405 162 K N 0.650 121.037 120.400 -0.021 0.000 2.063 162 K HA -0.213 4.109 4.320 0.005 0.000 0.208 162 K C 1.701 178.293 176.600 -0.014 0.000 1.048 162 K CA 1.672 57.950 56.287 -0.016 0.000 0.928 162 K CB -0.262 32.228 32.500 -0.017 0.000 0.713 162 K HN 0.399 nan 8.250 nan 0.000 0.442 163 E N -0.020 120.171 120.200 -0.015 0.000 2.204 163 E HA -0.115 4.238 4.350 0.005 0.000 0.195 163 E C 1.305 177.894 176.600 -0.018 0.000 0.990 163 E CA 0.748 57.138 56.400 -0.017 0.000 0.821 163 E CB 0.161 29.850 29.700 -0.019 0.000 0.750 163 E HN 0.256 nan 8.360 nan 0.000 0.477 164 L N -0.296 120.917 121.223 -0.017 0.000 2.857 164 L HA 0.233 4.576 4.340 0.005 0.000 0.249 164 L C 0.216 177.080 176.870 -0.009 0.000 1.172 164 L CA -0.155 54.675 54.840 -0.017 0.000 0.980 164 L CB 0.086 42.131 42.059 -0.023 0.000 1.299 164 L HN 0.094 nan 8.230 nan 0.000 0.535 165 N N 0.965 119.662 118.700 -0.003 0.000 2.747 165 N HA -0.178 4.565 4.740 0.005 0.000 0.249 165 N C -0.103 175.425 175.510 0.030 0.000 1.107 165 N CA 0.108 53.165 53.050 0.011 0.000 0.707 165 N CB -0.622 37.871 38.487 0.010 0.000 1.054 165 N HN 0.289 nan 8.380 nan 0.000 0.555 166 I N 0.915 121.491 120.570 0.011 0.000 2.396 166 I HA 0.162 4.335 4.170 0.005 0.000 0.292 166 I C 0.595 176.727 176.117 0.025 0.000 0.999 166 I CA 0.022 61.330 61.300 0.013 0.000 1.310 166 I CB 1.525 39.481 38.000 -0.074 0.000 1.404 166 I HN -0.079 nan 8.210 nan 0.000 0.496 167 T N 4.178 118.794 114.554 0.103 0.000 2.823 167 T HA 0.317 4.669 4.350 0.005 0.000 0.279 167 T C -0.307 174.330 174.700 -0.106 0.000 0.998 167 T CA -0.572 61.499 62.100 -0.048 0.000 0.994 167 T CB 1.641 70.469 68.868 -0.067 0.000 0.960 167 T HN 0.534 nan 8.240 nan 0.000 0.448 168 S N 1.600 117.106 115.700 -0.323 0.000 2.549 168 S HA 0.828 5.301 4.470 0.005 0.000 0.297 168 S C -1.427 172.866 174.600 -0.513 0.000 1.115 168 S CA -0.667 57.382 58.200 -0.251 0.000 1.059 168 S CB 0.241 63.332 63.200 -0.183 0.000 1.046 168 S HN 0.494 nan 8.310 nan 0.000 0.506 169 F N 1.436 121.315 119.950 -0.118 0.000 2.578 169 F HA 0.621 5.151 4.527 0.004 0.000 0.311 169 F C 0.295 176.069 175.800 -0.044 0.000 1.094 169 F CA -0.974 56.970 58.000 -0.093 0.000 0.923 169 F CB 1.833 40.765 39.000 -0.114 0.000 1.230 169 F HN 0.684 nan 8.300 nan 0.000 0.450 170 A N 4.028 126.923 122.820 0.126 0.000 2.354 170 A HA 0.550 4.873 4.320 0.005 0.000 0.281 170 A C -0.287 177.354 177.584 0.096 0.000 1.174 170 A CA -0.448 51.640 52.037 0.085 0.000 0.828 170 A CB -0.092 18.935 19.000 0.044 0.000 1.099 170 A HN 0.802 nan 8.150 nan 0.000 0.516 171 L N 3.209 124.485 121.223 0.087 0.000 2.525 171 L HA 0.041 4.383 4.340 0.005 0.000 0.278 171 L C -0.051 176.838 176.870 0.030 0.000 1.218 171 L CA 0.188 55.066 54.840 0.063 0.000 0.878 171 L CB 0.110 42.201 42.059 0.053 0.000 1.127 171 L HN 0.481 nan 8.230 nan 0.000 0.492 172 I N 4.034 124.619 120.570 0.026 0.000 2.378 172 I HA 0.181 4.354 4.170 0.005 0.000 0.291 172 I C 0.297 176.400 176.117 -0.024 0.000 0.992 172 I CA -0.473 60.835 61.300 0.013 0.000 1.154 172 I CB 1.337 39.358 38.000 0.035 0.000 1.315 172 I HN 0.683 nan 8.210 nan 0.000 0.448 173 N N 5.845 124.508 118.700 -0.061 0.000 2.721 173 N HA -0.247 4.496 4.740 0.005 0.000 0.249 173 N C 0.272 175.539 175.510 -0.405 0.000 1.072 173 N CA 0.864 53.833 53.050 -0.134 0.000 0.710 173 N CB -0.926 37.545 38.487 -0.026 0.000 0.993 173 N HN 0.739 nan 8.380 nan 0.000 0.547 174 N N -2.344 116.134 118.700 -0.370 0.000 2.909 174 N HA -0.212 4.531 4.740 0.005 0.000 0.242 174 N C -0.405 174.786 175.510 -0.533 0.000 0.975 174 N CA 1.613 54.331 53.050 -0.553 0.000 0.921 174 N CB -1.268 36.620 38.487 -0.999 0.000 1.112 174 N HN 0.754 nan 8.380 nan 0.000 0.581 175 H N -1.140 117.910 119.070 -0.034 0.000 2.834 175 H HA 0.366 4.924 4.556 0.004 0.000 0.369 175 H C -0.067 175.277 175.328 0.027 0.000 1.174 175 H CA -0.668 55.390 56.048 0.016 0.000 1.165 175 H CB 0.875 30.660 29.762 0.039 0.000 1.820 175 H HN -0.170 nan 8.280 nan 0.000 0.558 176 T N 4.671 119.326 114.554 0.168 0.000 2.517 176 T HA -0.062 4.290 4.350 0.005 0.000 0.229 176 T C -2.197 172.530 174.700 0.045 0.000 1.039 176 T CA -0.328 61.808 62.100 0.060 0.000 1.186 176 T CB -0.399 68.476 68.868 0.010 0.000 1.016 176 T HN 0.343 nan 8.240 nan 0.000 0.475 177 P HA 0.380 nan 4.420 nan 0.000 0.281 177 P C 0.642 177.930 177.300 -0.020 0.000 1.249 177 P CA -0.637 62.476 63.100 0.021 0.000 0.810 177 P CB 0.946 32.680 31.700 0.056 0.000 1.008 178 A N 2.639 125.460 122.820 0.002 0.000 1.917 178 A HA -0.235 4.088 4.320 0.005 0.000 0.219 178 A C 1.715 179.280 177.584 -0.030 0.000 1.182 178 A CA 2.287 54.318 52.037 -0.010 0.000 0.633 178 A CB -1.451 17.556 19.000 0.011 0.000 0.819 178 A HN 0.691 nan 8.150 nan 0.000 0.448 179 D N -0.097 120.306 120.400 0.005 0.000 2.219 179 D HA -0.136 4.507 4.640 0.005 0.000 0.205 179 D C 1.845 178.075 176.300 -0.116 0.000 0.970 179 D CA 0.949 54.972 54.000 0.038 0.000 0.851 179 D CB -0.627 40.262 40.800 0.147 0.000 0.943 179 D HN 0.482 nan 8.370 nan 0.000 0.488 180 L N 0.380 121.381 121.223 -0.371 0.000 2.056 180 L HA -0.134 4.209 4.340 0.005 0.000 0.207 180 L C 2.470 179.043 176.870 -0.495 0.000 1.078 180 L CA 0.788 55.051 54.840 -0.962 0.000 0.749 180 L CB -0.071 41.520 42.059 -0.779 0.000 0.901 180 L HN -0.085 nan 8.230 nan 0.000 0.433 181 V N -0.296 119.464 119.914 -0.257 0.000 2.255 181 V HA -0.311 3.812 4.120 0.005 0.000 0.247 181 V C 2.579 178.603 176.094 -0.116 0.000 1.051 181 V CA 1.682 63.892 62.300 -0.151 0.000 1.018 181 V CB -0.622 31.150 31.823 -0.086 0.000 0.641 181 V HN 0.509 nan 8.190 nan 0.000 0.445 182 Q N -0.455 119.291 119.800 -0.090 0.000 2.135 182 Q HA -0.244 4.098 4.340 0.005 0.000 0.204 182 Q C 2.300 178.267 176.000 -0.056 0.000 0.981 182 Q CA 1.843 57.617 55.803 -0.048 0.000 0.856 182 Q CB -0.286 28.442 28.738 -0.016 0.000 0.902 182 Q HN 0.692 nan 8.270 nan 0.000 0.425 183 E N 0.527 120.668 120.200 -0.099 0.000 2.110 183 E HA -0.099 4.253 4.350 0.005 0.000 0.193 183 E C 1.897 178.503 176.600 0.010 0.000 0.988 183 E CA 0.850 57.211 56.400 -0.064 0.000 0.804 183 E CB -0.273 29.335 29.700 -0.154 0.000 0.745 183 E HN 0.369 nan 8.360 nan 0.000 0.458 184 I N -0.553 120.004 120.570 -0.023 0.000 2.226 184 I HA -0.248 3.925 4.170 0.005 0.000 0.245 184 I C 2.199 178.238 176.117 -0.129 0.000 1.100 184 I CA 0.690 61.983 61.300 -0.013 0.000 1.374 184 I CB -0.231 37.728 38.000 -0.068 0.000 1.057 184 I HN 0.017 nan 8.210 nan 0.000 0.413 185 V N 1.090 120.928 119.914 -0.128 0.000 2.343 185 V HA -0.322 3.801 4.120 0.005 0.000 0.247 185 V C 2.558 178.532 176.094 -0.201 0.000 1.051 185 V CA 2.006 64.196 62.300 -0.183 0.000 1.036 185 V CB -0.699 31.107 31.823 -0.029 0.000 0.654 185 V HN 0.438 nan 8.190 nan 0.000 0.451 186 K N -0.449 119.895 120.400 -0.093 0.000 2.063 186 K HA -0.249 4.073 4.320 0.005 0.000 0.208 186 K C 2.272 178.816 176.600 -0.093 0.000 1.048 186 K CA 1.575 57.825 56.287 -0.061 0.000 0.928 186 K CB -0.103 32.391 32.500 -0.011 0.000 0.713 186 K HN 0.387 nan 8.250 nan 0.000 0.442 187 Q N -0.001 119.744 119.800 -0.091 0.000 2.084 187 Q HA -0.114 4.229 4.340 0.005 0.000 0.202 187 Q C 2.113 177.985 176.000 -0.213 0.000 0.978 187 Q CA 1.588 57.327 55.803 -0.107 0.000 0.844 187 Q CB -0.388 28.303 28.738 -0.078 0.000 0.898 187 Q HN 0.448 nan 8.270 nan 0.000 0.426 188 A N 0.734 123.325 122.820 -0.383 0.000 1.969 188 A HA -0.196 4.127 4.320 0.005 0.000 0.218 188 A C 2.042 179.319 177.584 -0.513 0.000 1.169 188 A CA 1.382 53.038 52.037 -0.634 0.000 0.635 188 A CB -0.376 17.812 19.000 -1.354 0.000 0.810 188 A HN 0.366 nan 8.150 nan 0.000 0.445 189 Q N -1.683 117.905 119.800 -0.354 0.000 2.311 189 Q HA -0.034 4.309 4.340 0.005 0.000 0.203 189 Q C 1.576 177.517 176.000 -0.099 0.000 0.954 189 Q CA 1.549 57.300 55.803 -0.087 0.000 0.885 189 Q CB 0.114 28.853 28.738 0.001 0.000 0.963 189 Q HN 0.605 nan 8.270 nan 0.000 0.471 190 T N -0.387 114.096 114.554 -0.119 0.000 3.000 190 T HA 0.097 4.450 4.350 0.005 0.000 0.248 190 T C 0.072 174.737 174.700 -0.058 0.000 1.034 190 T CA 0.065 62.127 62.100 -0.064 0.000 1.060 190 T CB 0.486 69.337 68.868 -0.029 0.000 0.983 190 T HN -0.134 nan 8.240 nan 0.000 0.482 191 K N 1.589 121.930 120.400 -0.098 0.000 2.172 191 K HA 0.333 4.656 4.320 0.005 0.000 0.276 191 K C 0.623 177.165 176.600 -0.096 0.000 1.013 191 K CA -0.397 55.863 56.287 -0.044 0.000 0.913 191 K CB 0.755 33.224 32.500 -0.052 0.000 1.055 191 K HN 0.291 nan 8.250 nan 0.000 0.461 192 H N 1.554 120.620 119.070 -0.006 0.000 2.428 192 H HA -0.033 4.526 4.556 0.005 0.000 0.296 192 H C 0.272 175.606 175.328 0.010 0.000 1.062 192 H CA 1.027 57.079 56.048 0.007 0.000 1.350 192 H CB 0.745 30.513 29.762 0.010 0.000 1.403 192 H HN 0.436 nan 8.280 nan 0.000 0.533 193 R N 0.084 120.624 120.500 0.066 0.000 2.725 193 R HA 0.547 4.890 4.340 0.005 0.000 0.277 193 R C -1.860 174.436 176.300 -0.006 0.000 0.987 193 R CA -0.988 55.129 56.100 0.028 0.000 0.901 193 R CB 2.010 32.334 30.300 0.040 0.000 1.207 193 R HN -0.073 nan 8.270 nan 0.000 0.463 194 L N 2.053 123.260 121.223 -0.027 0.000 2.476 194 L HA 0.443 4.786 4.340 0.005 0.000 0.269 194 L C -1.712 175.125 176.870 -0.055 0.000 0.965 194 L CA -0.523 54.283 54.840 -0.057 0.000 0.845 194 L CB 2.243 44.243 42.059 -0.099 0.000 1.259 194 L HN 0.660 nan 8.230 nan 0.000 0.403 195 N N 3.671 122.337 118.700 -0.057 0.000 2.444 195 N HA 0.489 5.232 4.740 0.005 0.000 0.271 195 N C -1.031 174.419 175.510 -0.100 0.000 1.069 195 N CA -0.173 52.840 53.050 -0.061 0.000 0.965 195 N CB 2.075 40.535 38.487 -0.045 0.000 1.092 195 N HN 0.340 nan 8.380 nan 0.000 0.476 196 V N 2.766 122.614 119.914 -0.110 0.000 2.448 196 V HA 0.349 4.472 4.120 0.005 0.000 0.295 196 V C 0.168 176.160 176.094 -0.169 0.000 1.025 196 V CA -0.775 61.429 62.300 -0.160 0.000 0.859 196 V CB 1.681 33.399 31.823 -0.175 0.000 0.988 196 V HN 0.449 nan 8.190 nan 0.000 0.431 197 K N 4.686 124.962 120.400 -0.207 0.000 2.164 197 K HA 0.785 5.108 4.320 0.005 0.000 0.258 197 K C -1.245 175.159 176.600 -0.327 0.000 0.951 197 K CA -0.493 55.654 56.287 -0.234 0.000 0.844 197 K CB 1.841 34.217 32.500 -0.207 0.000 1.099 197 K HN 0.493 nan 8.250 nan 0.000 0.435 198 L N 0.923 121.945 121.223 -0.334 0.000 2.381 198 L HA 0.519 4.861 4.340 0.005 0.000 0.268 198 L C -0.504 176.162 176.870 -0.341 0.000 0.997 198 L CA -0.786 53.830 54.840 -0.375 0.000 0.818 198 L CB 2.168 43.980 42.059 -0.412 0.000 1.310 198 L HN 0.527 nan 8.230 nan 0.000 0.416 199 S N 1.069 116.595 115.700 -0.289 0.000 2.575 199 S HA 0.719 5.192 4.470 0.005 0.000 0.278 199 S C -1.268 173.326 174.600 -0.009 0.000 1.139 199 S CA -0.366 57.769 58.200 -0.107 0.000 0.954 199 S CB 1.806 65.041 63.200 0.059 0.000 1.054 199 S HN 0.631 nan 8.310 nan 0.000 0.483 200 S N 3.525 119.230 115.700 0.008 0.000 2.556 200 S HA 0.456 4.928 4.470 0.005 0.000 0.271 200 S C -0.974 173.712 174.600 0.143 0.000 1.135 200 S CA -0.760 57.480 58.200 0.066 0.000 0.858 200 S CB 1.268 64.442 63.200 -0.043 0.000 1.114 200 S HN 0.862 nan 8.310 nan 0.000 0.468 201 N N 2.383 121.197 118.700 0.190 0.000 2.131 201 N HA -0.076 4.667 4.740 0.005 0.000 0.276 201 N C 1.025 176.651 175.510 0.193 0.000 1.295 201 N CA 1.114 54.285 53.050 0.202 0.000 0.818 201 N CB 0.659 39.281 38.487 0.226 0.000 1.049 201 N HN 0.692 nan 8.380 nan 0.000 0.484 202 T N 3.905 118.557 114.554 0.163 0.000 2.668 202 T HA -0.101 4.251 4.350 0.005 0.000 0.262 202 T C 1.835 176.598 174.700 0.104 0.000 1.045 202 T CA 1.828 64.002 62.100 0.123 0.000 1.152 202 T CB -0.471 68.458 68.868 0.101 0.000 0.864 202 T HN 0.730 nan 8.240 nan 0.000 0.419 203 A N 1.251 124.124 122.820 0.089 0.000 1.986 203 A HA -0.185 4.138 4.320 0.005 0.000 0.220 203 A C 1.768 179.305 177.584 -0.079 0.000 1.171 203 A CA 1.425 53.455 52.037 -0.012 0.000 0.640 203 A CB -0.708 18.293 19.000 0.001 0.000 0.811 203 A HN 0.674 nan 8.150 nan 0.000 0.451 204 H N -0.415 118.743 119.070 0.148 0.000 2.505 204 H HA 0.117 4.675 4.556 0.004 0.000 0.289 204 H C 1.908 177.331 175.328 0.158 0.000 1.052 204 H CA 0.605 56.755 56.048 0.170 0.000 1.156 204 H CB 0.179 30.115 29.762 0.290 0.000 1.507 204 H HN 0.702 nan 8.280 nan 0.000 0.548 205 S N 0.409 116.273 115.700 0.274 0.000 2.402 205 S HA -0.222 4.250 4.470 0.005 0.000 0.233 205 S C 1.828 176.626 174.600 0.331 0.000 1.030 205 S CA 1.264 59.631 58.200 0.279 0.000 1.003 205 S CB -0.519 62.917 63.200 0.393 0.000 0.813 205 S HN 0.470 nan 8.310 nan 0.000 0.477 206 F N 2.322 122.403 119.950 0.217 0.000 2.243 206 F HA 0.174 4.703 4.527 0.004 0.000 0.287 206 F C 1.693 177.569 175.800 0.126 0.000 1.067 206 F CA 0.858 59.031 58.000 0.289 0.000 1.304 206 F CB -0.089 38.973 39.000 0.104 0.000 1.087 206 F HN -0.020 nan 8.300 nan 0.000 0.513 207 D N 0.552 121.127 120.400 0.292 0.000 2.264 207 D HA -0.131 4.512 4.640 0.005 0.000 0.208 207 D C 1.562 177.826 176.300 -0.060 0.000 0.966 207 D CA 0.766 54.772 54.000 0.011 0.000 0.864 207 D CB -0.323 40.210 40.800 -0.445 0.000 0.933 207 D HN 0.332 nan 8.370 nan 0.000 0.499 208 N N -0.220 118.481 118.700 0.001 0.000 2.290 208 N HA 0.032 4.774 4.740 0.005 0.000 0.179 208 N C 1.841 177.307 175.510 -0.074 0.000 1.016 208 N CA 0.414 53.475 53.050 0.018 0.000 0.871 208 N CB 0.188 38.721 38.487 0.077 0.000 0.987 208 N HN 0.263 nan 8.380 nan 0.000 0.431 209 L N -0.427 120.719 121.223 -0.128 0.000 2.388 209 L HA 0.159 4.501 4.340 0.005 0.000 0.209 209 L C 2.027 178.778 176.870 -0.198 0.000 1.061 209 L CA 0.180 54.859 54.840 -0.267 0.000 0.834 209 L CB -0.190 41.499 42.059 -0.616 0.000 1.029 209 L HN -0.150 nan 8.230 nan 0.000 0.473 210 V N 1.367 121.183 119.914 -0.162 0.000 2.252 210 V HA -0.196 3.926 4.120 0.005 0.000 0.249 210 V C -0.286 175.731 176.094 -0.128 0.000 1.056 210 V CA 2.313 64.487 62.300 -0.210 0.000 1.022 210 V CB -1.557 29.935 31.823 -0.551 0.000 0.641 210 V HN 0.320 nan 8.190 nan 0.000 0.445 211 P HA -0.086 nan 4.420 nan 0.000 0.220 211 P C 1.666 178.929 177.300 -0.061 0.000 1.148 211 P CA 1.407 64.475 63.100 -0.055 0.000 0.803 211 P CB -0.031 31.650 31.700 -0.032 0.000 0.782 212 I N -1.515 118.998 120.570 -0.095 0.000 2.277 212 I HA -0.157 4.015 4.170 0.005 0.000 0.243 212 I C 2.208 178.273 176.117 -0.086 0.000 1.094 212 I CA 1.129 62.366 61.300 -0.106 0.000 1.393 212 I CB -0.591 37.314 38.000 -0.158 0.000 1.078 212 I HN -0.150 nan 8.210 nan 0.000 0.417 213 L N 1.127 122.288 121.223 -0.103 0.000 2.201 213 L HA -0.165 4.177 4.340 0.005 0.000 0.212 213 L C 2.519 179.402 176.870 0.021 0.000 1.105 213 L CA 1.162 55.968 54.840 -0.057 0.000 0.775 213 L CB -0.489 41.532 42.059 -0.063 0.000 0.913 213 L HN 0.334 nan 8.230 nan 0.000 0.440 214 K N -1.018 119.384 120.400 0.002 0.000 2.366 214 K HA -0.059 4.263 4.320 0.005 0.000 0.198 214 K C 1.435 178.059 176.600 0.040 0.000 1.044 214 K CA 0.571 56.869 56.287 0.018 0.000 0.973 214 K CB 0.086 32.583 32.500 -0.006 0.000 0.767 214 K HN 0.160 nan 8.250 nan 0.000 0.475 215 E N 1.811 122.044 120.200 0.055 0.000 2.033 215 E HA -0.025 4.328 4.350 0.005 0.000 0.189 215 E C 2.180 178.932 176.600 0.254 0.000 0.979 215 E CA 0.798 57.275 56.400 0.129 0.000 0.802 215 E CB -0.302 29.462 29.700 0.107 0.000 0.763 215 E HN 0.290 nan 8.360 nan 0.000 0.449 216 L N 1.414 122.749 121.223 0.186 0.000 2.127 216 L HA -0.208 4.135 4.340 0.005 0.000 0.211 216 L C 2.277 179.292 176.870 0.242 0.000 1.089 216 L CA 1.014 55.993 54.840 0.232 0.000 0.757 216 L CB -0.559 41.528 42.059 0.047 0.000 0.899 216 L HN 0.161 nan 8.230 nan 0.000 0.434 217 N N 0.240 119.030 118.700 0.149 0.000 2.137 217 N HA -0.216 4.527 4.740 0.005 0.000 0.190 217 N C 1.816 177.360 175.510 0.057 0.000 1.017 217 N CA 1.712 54.827 53.050 0.108 0.000 0.859 217 N CB -0.010 38.524 38.487 0.078 0.000 1.002 217 N HN 0.355 nan 8.380 nan 0.000 0.428 218 S N -1.827 113.871 115.700 -0.003 0.000 2.603 218 S HA 0.098 4.570 4.470 0.005 0.000 0.220 218 S C 0.156 174.592 174.600 -0.275 0.000 0.967 218 S CA -0.207 57.895 58.200 -0.163 0.000 0.920 218 S CB -0.415 62.626 63.200 -0.266 0.000 0.773 218 S HN 0.170 nan 8.310 nan 0.000 0.529 219 F N 2.941 122.884 119.950 -0.011 0.000 2.335 219 F HA 0.469 4.999 4.527 0.005 0.000 0.365 219 F C 1.066 176.857 175.800 -0.014 0.000 1.122 219 F CA -1.015 56.973 58.000 -0.020 0.000 1.151 219 F CB 0.696 39.678 39.000 -0.030 0.000 1.282 219 F HN -0.014 nan 8.300 nan 0.000 0.513 220 N N 1.939 120.710 118.700 0.117 0.000 2.459 220 N HA -0.154 4.589 4.740 0.005 0.000 0.181 220 N C 1.358 176.916 175.510 0.080 0.000 1.046 220 N CA 0.756 53.851 53.050 0.075 0.000 0.904 220 N CB -0.219 38.289 38.487 0.035 0.000 0.964 220 N HN 0.684 nan 8.380 nan 0.000 0.444 221 N N -0.434 118.328 118.700 0.102 0.000 2.467 221 N HA -0.039 4.704 4.740 0.005 0.000 0.184 221 N C 0.363 175.897 175.510 0.039 0.000 1.106 221 N CA -0.114 52.974 53.050 0.062 0.000 0.892 221 N CB 0.374 38.886 38.487 0.040 0.000 0.969 221 N HN -0.069 nan 8.380 nan 0.000 0.454 222 V N 0.031 119.980 119.914 0.058 0.000 2.427 222 V HA 0.466 4.589 4.120 0.005 0.000 0.286 222 V C -0.767 175.344 176.094 0.029 0.000 1.034 222 V CA -0.323 61.985 62.300 0.014 0.000 0.893 222 V CB 1.456 33.254 31.823 -0.043 0.000 0.982 222 V HN 0.102 nan 8.190 nan 0.000 0.452 223 T N 6.026 120.584 114.554 0.007 0.000 2.791 223 T HA 0.428 4.781 4.350 0.005 0.000 0.288 223 T C -0.248 174.451 174.700 -0.001 0.000 0.999 223 T CA -0.307 61.805 62.100 0.020 0.000 0.952 223 T CB 1.241 70.120 68.868 0.018 0.000 0.938 223 T HN 0.690 nan 8.240 nan 0.000 0.444 224 V N 4.828 124.758 119.914 0.026 0.000 2.364 224 V HA 0.105 4.228 4.120 0.005 0.000 0.252 224 V C 1.907 178.007 176.094 0.009 0.000 1.075 224 V CA 0.054 62.341 62.300 -0.021 0.000 1.033 224 V CB -0.249 31.545 31.823 -0.048 0.000 1.116 224 V HN 1.144 nan 8.190 nan 0.000 0.488 225 T N 1.169 115.705 114.554 -0.030 0.000 3.043 225 T HA 0.039 4.392 4.350 0.005 0.000 0.263 225 T C 0.667 175.360 174.700 -0.012 0.000 1.094 225 T CA 0.674 62.768 62.100 -0.010 0.000 1.127 225 T CB -0.051 68.806 68.868 -0.019 0.000 0.905 225 T HN 0.574 nan 8.240 nan 0.000 0.490 226 N N -0.750 117.916 118.700 -0.056 0.000 2.710 226 N HA 0.428 5.171 4.740 0.005 0.000 0.257 226 N C -2.191 173.226 175.510 -0.155 0.000 1.140 226 N CA -0.752 52.258 53.050 -0.067 0.000 0.953 226 N CB 1.464 39.923 38.487 -0.047 0.000 1.664 226 N HN 0.212 nan 8.380 nan 0.000 0.497 227 I N 1.548 122.015 120.570 -0.173 0.000 2.418 227 I HA 0.361 4.534 4.170 0.005 0.000 0.287 227 I C -0.822 175.136 176.117 -0.265 0.000 1.008 227 I CA -0.812 60.308 61.300 -0.299 0.000 1.104 227 I CB 1.660 39.387 38.000 -0.455 0.000 1.264 227 I HN 0.382 nan 8.210 nan 0.000 0.438 228 D N 7.166 127.424 120.400 -0.237 0.000 2.198 228 D HA 0.555 5.198 4.640 0.005 0.000 0.245 228 D C -0.631 175.490 176.300 -0.298 0.000 1.079 228 D CA -0.108 53.767 54.000 -0.208 0.000 0.854 228 D CB 2.206 42.967 40.800 -0.065 0.000 1.148 228 D HN 0.257 nan 8.370 nan 0.000 0.456 229 L N 3.038 124.032 121.223 -0.383 0.000 2.319 229 L HA 0.381 4.724 4.340 0.005 0.000 0.281 229 L C -0.900 175.862 176.870 -0.180 0.000 1.005 229 L CA -0.789 53.881 54.840 -0.283 0.000 0.828 229 L CB 0.976 42.771 42.059 -0.440 0.000 1.227 229 L HN 0.257 nan 8.230 nan 0.000 0.415 230 Y N 1.082 121.457 120.300 0.126 0.000 2.364 230 Y HA 0.316 4.869 4.550 0.004 0.000 0.340 230 Y C 0.099 176.064 175.900 0.108 0.000 0.975 230 Y CA -1.049 57.136 58.100 0.141 0.000 1.089 230 Y CB 1.557 40.064 38.460 0.078 0.000 1.192 230 Y HN 0.500 nan 8.280 nan 0.000 0.454 231 D N 2.807 123.361 120.400 0.257 0.000 2.455 231 D HA -0.119 4.524 4.640 0.005 0.000 0.241 231 D C 0.969 177.359 176.300 0.151 0.000 1.138 231 D CA 0.477 54.575 54.000 0.164 0.000 0.877 231 D CB 0.901 41.811 40.800 0.182 0.000 1.187 231 D HN 0.720 nan 8.370 nan 0.000 0.451 232 D N 1.834 122.308 120.400 0.123 0.000 2.133 232 D HA -0.168 4.475 4.640 0.005 0.000 0.195 232 D C 1.009 177.342 176.300 0.056 0.000 0.997 232 D CA 1.688 55.736 54.000 0.080 0.000 0.840 232 D CB 0.507 41.384 40.800 0.129 0.000 0.947 232 D HN 0.651 nan 8.370 nan 0.000 0.452 233 G N -0.858 107.985 108.800 0.072 0.000 2.451 233 G HA2 -0.150 3.812 3.960 0.005 0.000 0.083 233 G HA3 -0.150 3.812 3.960 0.005 0.000 0.083 233 G C 0.733 175.605 174.900 -0.047 0.000 1.107 233 G CA 0.738 45.821 45.100 -0.028 0.000 1.117 233 G HN 0.249 nan 8.290 nan 0.000 0.454 234 S N 1.078 116.635 115.700 -0.239 0.000 2.447 234 S HA 0.235 4.708 4.470 0.005 0.000 0.233 234 S C 2.553 177.261 174.600 0.179 0.000 1.006 234 S CA 1.887 59.986 58.200 -0.168 0.000 0.957 234 S CB -0.449 62.633 63.200 -0.197 0.000 0.773 234 S HN 1.882 nan 8.310 nan 0.000 0.507 235 A N 3.343 126.252 122.820 0.149 0.000 1.903 235 A HA -0.215 4.108 4.320 0.005 0.000 0.219 235 A C 2.310 179.978 177.584 0.139 0.000 1.191 235 A CA 1.840 53.974 52.037 0.162 0.000 0.638 235 A CB -0.713 18.379 19.000 0.153 0.000 0.823 235 A HN 0.779 nan 8.150 nan 0.000 0.451 236 E N -0.958 119.301 120.200 0.098 0.000 2.208 236 E HA -0.192 4.161 4.350 0.005 0.000 0.193 236 E C 1.670 178.193 176.600 -0.128 0.000 0.988 236 E CA 1.253 57.628 56.400 -0.043 0.000 0.828 236 E CB -0.677 28.938 29.700 -0.142 0.000 0.763 236 E HN 0.775 nan 8.360 nan 0.000 0.478 237 Y N 1.335 121.677 120.300 0.070 0.000 2.314 237 Y HA -0.085 4.468 4.550 0.005 0.000 0.293 237 Y C 2.619 178.600 175.900 0.135 0.000 1.129 237 Y CA 0.654 58.777 58.100 0.039 0.000 1.201 237 Y CB -0.480 37.965 38.460 -0.025 0.000 0.999 237 Y HN -0.148 nan 8.280 nan 0.000 0.541 238 V N 0.572 120.653 119.914 0.279 0.000 2.295 238 V HA -0.310 3.812 4.120 0.005 0.000 0.246 238 V C 1.973 178.246 176.094 0.297 0.000 1.049 238 V CA 2.076 64.537 62.300 0.269 0.000 1.024 238 V CB -0.567 31.385 31.823 0.216 0.000 0.648 238 V HN 0.452 nan 8.190 nan 0.000 0.447 239 N N 0.174 119.005 118.700 0.219 0.000 2.104 239 N HA -0.128 4.614 4.740 0.005 0.000 0.190 239 N C 1.751 177.422 175.510 0.268 0.000 1.024 239 N CA 1.448 54.621 53.050 0.204 0.000 0.853 239 N CB -0.476 38.081 38.487 0.116 0.000 1.008 239 N HN 0.392 nan 8.380 nan 0.000 0.424 240 L N -0.556 120.823 121.223 0.259 0.000 2.093 240 L HA -0.151 4.192 4.340 0.005 0.000 0.208 240 L C 2.283 179.436 176.870 0.471 0.000 1.085 240 L CA 0.884 55.932 54.840 0.346 0.000 0.755 240 L CB -0.517 41.732 42.059 0.317 0.000 0.904 240 L HN 0.135 nan 8.230 nan 0.000 0.435 241 Y N 1.316 121.846 120.300 0.384 0.000 2.165 241 Y HA -0.295 4.257 4.550 0.004 0.000 0.286 241 Y C 2.470 178.521 175.900 0.252 0.000 1.155 241 Y CA 1.788 60.102 58.100 0.356 0.000 1.164 241 Y CB -0.183 38.463 38.460 0.310 0.000 0.978 241 Y HN 0.237 nan 8.280 nan 0.000 0.513 242 N N -0.877 118.007 118.700 0.306 0.000 2.188 242 N HA -0.209 4.534 4.740 0.005 0.000 0.184 242 N C 1.362 176.950 175.510 0.131 0.000 1.018 242 N CA 1.406 54.554 53.050 0.163 0.000 0.858 242 N CB -0.978 37.648 38.487 0.232 0.000 0.989 242 N HN 0.584 nan 8.380 nan 0.000 0.426 243 W N 2.538 123.856 121.300 0.030 0.000 2.699 243 W HA 0.099 4.761 4.660 0.004 0.000 0.249 243 W C 1.877 178.374 176.519 -0.037 0.000 1.280 243 W CA 0.210 57.559 57.345 0.006 0.000 1.345 243 W CB 0.056 29.541 29.460 0.041 0.000 1.128 243 W HN -0.016 nan 8.180 nan 0.000 0.642 244 R N -0.107 120.419 120.500 0.044 0.000 2.139 244 R HA -0.190 4.152 4.340 0.005 0.000 0.243 244 R C 1.363 177.524 176.300 -0.231 0.000 1.145 244 R CA 1.764 57.801 56.100 -0.104 0.000 0.976 244 R CB -0.514 29.696 30.300 -0.149 0.000 0.866 244 R HN 0.126 nan 8.270 nan 0.000 0.449 245 D N 0.058 120.316 120.400 -0.237 0.000 2.264 245 D HA -0.053 4.589 4.640 0.005 0.000 0.208 245 D C 0.215 176.329 176.300 -0.309 0.000 0.966 245 D CA 0.792 54.653 54.000 -0.232 0.000 0.864 245 D CB -0.257 40.442 40.800 -0.167 0.000 0.933 245 D HN 0.085 nan 8.370 nan 0.000 0.499 246 T N 2.378 116.627 114.554 -0.508 0.000 2.822 246 T HA 0.013 4.366 4.350 0.005 0.000 0.288 246 T C 0.894 175.333 174.700 -0.435 0.000 0.991 246 T CA -0.033 61.696 62.100 -0.618 0.000 1.176 246 T CB 0.233 68.333 68.868 -1.279 0.000 0.951 246 T HN 0.019 nan 8.240 nan 0.000 0.526 247 L N 4.159 125.207 121.223 -0.292 0.000 2.456 247 L HA 0.149 4.491 4.340 0.005 0.000 0.272 247 L C 1.002 177.745 176.870 -0.213 0.000 1.189 247 L CA -0.510 54.204 54.840 -0.211 0.000 0.846 247 L CB 0.020 41.992 42.059 -0.146 0.000 1.111 247 L HN 0.739 nan 8.230 nan 0.000 0.475 248 N N 1.959 120.560 118.700 -0.164 0.000 2.714 248 N HA -0.177 4.566 4.740 0.005 0.000 0.253 248 N C 0.842 176.265 175.510 -0.145 0.000 1.024 248 N CA 0.705 53.681 53.050 -0.123 0.000 0.726 248 N CB -0.539 37.895 38.487 -0.087 0.000 0.908 248 N HN 0.675 nan 8.380 nan 0.000 0.542 249 K N -0.023 120.256 120.400 -0.203 0.000 2.044 249 K HA -0.144 4.179 4.320 0.005 0.000 0.210 249 K C 1.807 178.387 176.600 -0.033 0.000 1.049 249 K CA 2.049 58.206 56.287 -0.217 0.000 0.927 249 K CB -0.084 32.275 32.500 -0.236 0.000 0.713 249 K HN 0.337 nan 8.250 nan 0.000 0.443 250 T N 1.407 115.939 114.554 -0.037 0.000 2.746 250 T HA -0.131 4.222 4.350 0.005 0.000 0.267 250 T C 1.273 175.957 174.700 -0.027 0.000 1.039 250 T CA 1.528 63.611 62.100 -0.028 0.000 1.142 250 T CB -0.346 68.541 68.868 0.031 0.000 0.866 250 T HN 0.184 nan 8.240 nan 0.000 0.444 251 D N 1.311 121.700 120.400 -0.017 0.000 2.116 251 D HA -0.100 4.543 4.640 0.005 0.000 0.193 251 D C 2.083 178.380 176.300 -0.004 0.000 0.998 251 D CA 1.188 55.184 54.000 -0.007 0.000 0.836 251 D CB -0.586 40.203 40.800 -0.017 0.000 0.951 251 D HN 0.311 nan 8.370 nan 0.000 0.449 252 N N -0.096 118.604 118.700 -0.000 0.000 2.120 252 N HA -0.059 4.684 4.740 0.005 0.000 0.188 252 N C 1.950 177.484 175.510 0.040 0.000 1.024 252 N CA 0.509 53.587 53.050 0.047 0.000 0.852 252 N CB -0.240 38.326 38.487 0.132 0.000 1.003 252 N HN 0.151 nan 8.380 nan 0.000 0.424 253 L N 0.530 121.730 121.223 -0.038 0.000 2.046 253 L HA -0.134 4.209 4.340 0.005 0.000 0.208 253 L C 2.035 178.836 176.870 -0.115 0.000 1.077 253 L CA 1.213 55.901 54.840 -0.254 0.000 0.747 253 L CB -0.255 41.267 42.059 -0.895 0.000 0.896 253 L HN 0.133 nan 8.230 nan 0.000 0.432 254 K N 0.128 120.514 120.400 -0.023 0.000 2.097 254 K HA -0.100 4.223 4.320 0.005 0.000 0.205 254 K C 2.061 178.715 176.600 0.089 0.000 1.050 254 K CA 1.191 57.545 56.287 0.112 0.000 0.938 254 K CB -0.134 32.434 32.500 0.114 0.000 0.718 254 K HN 0.209 nan 8.250 nan 0.000 0.442 255 I N 0.607 121.212 120.570 0.057 0.000 2.286 255 I HA -0.210 3.963 4.170 0.005 0.000 0.248 255 I C 2.427 178.600 176.117 0.094 0.000 1.115 255 I CA 1.265 62.603 61.300 0.064 0.000 1.392 255 I CB -0.587 37.433 38.000 0.033 0.000 1.065 255 I HN 0.297 nan 8.210 nan 0.000 0.418 256 G N 1.136 109.978 108.800 0.069 0.000 2.476 256 G HA2 -0.355 3.608 3.960 0.005 0.000 0.218 256 G HA3 -0.355 3.608 3.960 0.005 0.000 0.218 256 G C 1.649 176.633 174.900 0.140 0.000 1.164 256 G CA 1.301 46.456 45.100 0.092 0.000 0.768 256 G HN 0.378 nan 8.290 nan 0.000 0.560 257 K N 0.401 120.878 120.400 0.129 0.000 2.026 257 K HA -0.132 4.191 4.320 0.005 0.000 0.208 257 K C 2.007 178.660 176.600 0.089 0.000 1.048 257 K CA 1.834 58.188 56.287 0.112 0.000 0.929 257 K CB -0.228 32.357 32.500 0.142 0.000 0.713 257 K HN 0.159 nan 8.250 nan 0.000 0.439 258 D N -0.345 120.117 120.400 0.103 0.000 2.144 258 D HA -0.184 4.459 4.640 0.005 0.000 0.199 258 D C 1.795 178.153 176.300 0.096 0.000 0.984 258 D CA 1.085 55.135 54.000 0.082 0.000 0.834 258 D CB -0.357 40.493 40.800 0.083 0.000 0.955 258 D HN 0.333 nan 8.370 nan 0.000 0.465 259 Y N 1.468 121.787 120.300 0.032 0.000 2.114 259 Y HA -0.204 4.348 4.550 0.004 0.000 0.284 259 Y C 2.221 178.164 175.900 0.071 0.000 1.143 259 Y CA 1.129 59.256 58.100 0.046 0.000 1.135 259 Y CB -0.535 37.948 38.460 0.038 0.000 0.980 259 Y HN -0.094 nan 8.280 nan 0.000 0.499 260 L N 1.025 122.267 121.223 0.031 0.000 2.012 260 L HA -0.191 4.152 4.340 0.005 0.000 0.210 260 L C 2.394 179.201 176.870 -0.105 0.000 1.073 260 L CA 2.405 57.203 54.840 -0.070 0.000 0.748 260 L CB -1.119 40.897 42.059 -0.072 0.000 0.891 260 L HN 0.460 nan 8.230 nan 0.000 0.431 261 E N -0.820 119.352 120.200 -0.047 0.000 2.070 261 E HA -0.271 4.082 4.350 0.005 0.000 0.197 261 E C 1.699 178.266 176.600 -0.056 0.000 1.004 261 E CA 1.690 58.069 56.400 -0.036 0.000 0.805 261 E CB -0.024 29.663 29.700 -0.021 0.000 0.744 261 E HN 0.554 nan 8.360 nan 0.000 0.451 262 D N -0.349 120.003 120.400 -0.081 0.000 2.178 262 D HA -0.115 4.528 4.640 0.005 0.000 0.202 262 D C 2.005 178.233 176.300 -0.120 0.000 0.974 262 D CA 0.641 54.591 54.000 -0.083 0.000 0.841 262 D CB -0.089 40.673 40.800 -0.064 0.000 0.953 262 D HN 0.099 nan 8.370 nan 0.000 0.478 263 V N 1.101 120.885 119.914 -0.216 0.000 2.270 263 V HA -0.201 3.921 4.120 0.005 0.000 0.245 263 V C 2.512 178.544 176.094 -0.103 0.000 1.043 263 V CA 1.103 63.288 62.300 -0.192 0.000 1.014 263 V CB -0.313 31.344 31.823 -0.277 0.000 0.645 263 V HN 0.163 nan 8.190 nan 0.000 0.447 264 I N 0.510 121.028 120.570 -0.085 0.000 2.226 264 I HA -0.232 3.941 4.170 0.005 0.000 0.245 264 I C 2.200 178.315 176.117 -0.005 0.000 1.100 264 I CA 1.410 62.699 61.300 -0.019 0.000 1.374 264 I CB -0.499 37.539 38.000 0.064 0.000 1.057 264 I HN 0.342 nan 8.210 nan 0.000 0.413 265 N N 0.819 119.509 118.700 -0.016 0.000 2.453 265 N HA -0.085 4.658 4.740 0.005 0.000 0.183 265 N C 1.538 177.037 175.510 -0.020 0.000 1.041 265 N CA 1.282 54.323 53.050 -0.015 0.000 0.900 265 N CB 0.047 38.522 38.487 -0.020 0.000 0.961 265 N HN 0.542 nan 8.380 nan 0.000 0.443 266 G N 0.498 109.282 108.800 -0.027 0.000 2.179 266 G HA2 -0.282 3.681 3.960 0.005 0.000 0.260 266 G HA3 -0.282 3.681 3.960 0.005 0.000 0.260 266 G C 0.997 175.886 174.900 -0.018 0.000 0.977 266 G CA 0.382 45.470 45.100 -0.021 0.000 0.641 266 G HN 0.387 nan 8.290 nan 0.000 0.533 267 I N 0.226 120.783 120.570 -0.022 0.000 2.315 267 I HA -0.015 4.158 4.170 0.005 0.000 0.248 267 I C 1.261 177.372 176.117 -0.009 0.000 1.117 267 I CA 1.145 62.437 61.300 -0.014 0.000 1.404 267 I CB -0.107 37.885 38.000 -0.013 0.000 1.071 267 I HN 0.281 nan 8.210 nan 0.000 0.419 268 N N 0.773 119.458 118.700 -0.025 0.000 2.392 268 N HA 0.088 4.831 4.740 0.005 0.000 0.283 268 N C 0.415 175.920 175.510 -0.008 0.000 1.003 268 N CA -0.066 52.977 53.050 -0.011 0.000 0.892 268 N CB 1.456 39.927 38.487 -0.026 0.000 1.193 268 N HN -0.013 nan 8.380 nan 0.000 0.487 269 E N 0.668 120.884 120.200 0.026 0.000 2.276 269 E HA -0.054 4.299 4.350 0.005 0.000 0.193 269 E C -0.437 176.204 176.600 0.070 0.000 0.983 269 E CA 0.257 56.680 56.400 0.038 0.000 0.861 269 E CB 0.122 29.843 29.700 0.036 0.000 0.817 269 E HN 0.588 nan 8.360 nan 0.000 0.485 270 D N 2.364 122.822 120.400 0.097 0.000 2.357 270 D HA -0.042 4.600 4.640 0.005 0.000 0.265 270 D C 0.351 176.780 176.300 0.216 0.000 1.334 270 D CA 0.269 54.355 54.000 0.143 0.000 0.984 270 D CB 0.319 41.217 40.800 0.163 0.000 1.077 270 D HN -0.048 nan 8.370 nan 0.000 0.514 271 T N -0.189 114.478 114.554 0.188 0.000 3.287 271 T HA 0.058 4.411 4.350 0.005 0.000 0.253 271 T C 1.446 176.234 174.700 0.145 0.000 0.975 271 T CA 0.066 62.333 62.100 0.279 0.000 0.912 271 T CB -0.198 68.845 68.868 0.291 0.000 1.071 271 T HN 0.190 nan 8.240 nan 0.000 0.578 272 S N 1.021 116.776 115.700 0.091 0.000 2.458 272 S HA 0.057 4.530 4.470 0.005 0.000 0.223 272 S C 0.805 175.274 174.600 -0.218 0.000 1.019 272 S CA -0.367 57.800 58.200 -0.055 0.000 0.937 272 S CB -0.455 62.731 63.200 -0.023 0.000 0.788 272 S HN 0.421 nan 8.310 nan 0.000 0.511 273 N N 3.385 121.905 118.700 -0.299 0.000 2.895 273 N HA 0.158 4.900 4.740 0.005 0.000 0.277 273 N C 0.651 175.783 175.510 -0.629 0.000 1.185 273 N CA 0.561 53.325 53.050 -0.476 0.000 1.106 273 N CB 0.638 38.658 38.487 -0.779 0.000 1.422 273 N HN 0.663 nan 8.380 nan 0.000 0.521 274 T N -3.215 110.980 114.554 -0.598 0.000 3.107 274 T HA 0.173 4.526 4.350 0.005 0.000 0.249 274 T C 1.118 175.619 174.700 -0.330 0.000 1.096 274 T CA -0.208 61.457 62.100 -0.726 0.000 1.012 274 T CB 0.252 68.861 68.868 -0.431 0.000 0.977 274 T HN 0.247 nan 8.240 nan 0.000 0.527 275 G N 1.254 109.896 108.800 -0.262 0.000 2.630 275 G HA2 0.373 4.336 3.960 0.005 0.000 0.223 275 G HA3 0.373 4.336 3.960 0.005 0.000 0.223 275 G C 0.998 175.791 174.900 -0.178 0.000 1.434 275 G CA 0.186 45.182 45.100 -0.175 0.000 1.057 275 G HN 0.163 nan 8.290 nan 0.000 0.570 276 T N 0.921 115.375 114.554 -0.167 0.000 2.592 276 T HA -0.273 4.079 4.350 0.005 0.000 0.267 276 T C 2.777 177.305 174.700 -0.287 0.000 1.060 276 T CA 2.847 64.788 62.100 -0.266 0.000 1.167 276 T CB -0.741 67.863 68.868 -0.440 0.000 0.863 276 T HN 0.669 nan 8.240 nan 0.000 0.431 277 S N 0.929 116.505 115.700 -0.206 0.000 2.469 277 S HA -0.042 4.430 4.470 0.005 0.000 0.238 277 S C 2.173 176.718 174.600 -0.093 0.000 0.998 277 S CA 1.203 59.332 58.200 -0.119 0.000 0.957 277 S CB -0.429 62.794 63.200 0.039 0.000 0.764 277 S HN 0.352 nan 8.310 nan 0.000 0.514 278 S N 1.274 116.908 115.700 -0.109 0.000 2.404 278 S HA 0.040 4.513 4.470 0.005 0.000 0.223 278 S C 2.038 176.521 174.600 -0.194 0.000 1.040 278 S CA 0.889 59.056 58.200 -0.055 0.000 0.957 278 S CB -0.237 63.005 63.200 0.069 0.000 0.826 278 S HN 0.691 nan 8.310 nan 0.000 0.491 279 V N -1.173 118.593 119.914 -0.247 0.000 2.913 279 V HA 0.020 4.143 4.120 0.005 0.000 0.260 279 V C 0.782 176.652 176.094 -0.373 0.000 1.098 279 V CA 1.197 63.301 62.300 -0.327 0.000 1.121 279 V CB -1.107 30.513 31.823 -0.337 0.000 0.714 279 V HN 0.496 nan 8.190 nan 0.000 0.487 280 Y N 1.093 121.369 120.300 -0.041 0.000 2.811 280 Y HA 0.458 5.011 4.550 0.005 0.000 0.330 280 Y C 1.275 177.221 175.900 0.077 0.000 1.081 280 Y CA -0.472 57.601 58.100 -0.045 0.000 1.408 280 Y CB -0.676 37.655 38.460 -0.214 0.000 1.235 280 Y HN 0.340 nan 8.280 nan 0.000 0.529 281 N N -2.060 116.702 118.700 0.104 0.000 2.159 281 N HA 0.044 4.786 4.740 0.005 0.000 0.217 281 N C 0.949 176.544 175.510 0.141 0.000 1.223 281 N CA -0.119 53.017 53.050 0.143 0.000 0.896 281 N CB 0.121 38.640 38.487 0.053 0.000 1.064 281 N HN 0.319 nan 8.380 nan 0.000 0.518 282 W N 2.182 123.702 121.300 0.367 0.000 2.321 282 W HA -0.246 4.416 4.660 0.004 0.000 0.306 282 W C 2.537 179.220 176.519 0.273 0.000 1.217 282 W CA 0.912 58.428 57.345 0.284 0.000 1.257 282 W CB -0.133 29.398 29.460 0.118 0.000 1.145 282 W HN 0.225 nan 8.180 nan 0.000 0.509 283 Q N 0.850 120.957 119.800 0.511 0.000 2.364 283 Q HA -0.143 4.200 4.340 0.005 0.000 0.207 283 Q C 1.380 177.470 176.000 0.150 0.000 0.970 283 Q CA 1.236 57.227 55.803 0.313 0.000 0.888 283 Q CB -0.560 28.359 28.738 0.301 0.000 0.951 283 Q HN 0.218 nan 8.270 nan 0.000 0.469 284 K N 0.438 120.907 120.400 0.116 0.000 2.418 284 K HA 0.177 4.500 4.320 0.005 0.000 0.195 284 K C 1.729 178.326 176.600 -0.004 0.000 1.035 284 K CA 0.390 56.685 56.287 0.013 0.000 1.003 284 K CB 0.414 32.916 32.500 0.005 0.000 0.793 284 K HN 0.303 nan 8.250 nan 0.000 0.494 285 L N -1.661 119.575 121.223 0.022 0.000 2.878 285 L HA 0.224 4.567 4.340 0.005 0.000 0.253 285 L C -0.312 176.253 176.870 -0.507 0.000 1.135 285 L CA -0.101 54.604 54.840 -0.225 0.000 0.943 285 L CB 0.499 42.428 42.059 -0.218 0.000 1.307 285 L HN -0.067 nan 8.230 nan 0.000 0.545 286 Y N -1.293 119.074 120.300 0.112 0.000 2.609 286 Y HA 0.399 4.951 4.550 0.004 0.000 0.336 286 Y C -2.548 173.388 175.900 0.059 0.000 1.129 286 Y CA -2.392 55.755 58.100 0.077 0.000 1.040 286 Y CB 1.060 39.570 38.460 0.083 0.000 1.310 286 Y HN -0.267 nan 8.280 nan 0.000 0.460 287 P HA 0.379 nan 4.420 nan 0.000 0.271 287 P C -1.191 176.168 177.300 0.099 0.000 1.226 287 P CA 0.197 63.364 63.100 0.112 0.000 0.765 287 P CB 0.603 32.345 31.700 0.070 0.000 0.835 288 A N 3.660 126.529 122.820 0.082 0.000 2.594 288 A HA 0.668 4.991 4.320 0.005 0.000 0.295 288 A C -1.272 176.309 177.584 -0.005 0.000 1.071 288 A CA -0.655 51.397 52.037 0.025 0.000 0.685 288 A CB 1.239 20.304 19.000 0.108 0.000 1.285 288 A HN 0.500 nan 8.150 nan 0.000 0.405 289 N N 0.103 118.722 118.700 -0.134 0.000 2.352 289 N HA 0.527 5.270 4.740 0.005 0.000 0.291 289 N C -1.861 173.402 175.510 -0.412 0.000 1.040 289 N CA -0.209 52.709 53.050 -0.220 0.000 0.864 289 N CB 1.445 39.766 38.487 -0.277 0.000 1.440 289 N HN 0.574 nan 8.380 nan 0.000 0.483 290 Y N 1.708 121.885 120.300 -0.204 0.000 2.383 290 Y HA 0.200 4.753 4.550 0.004 0.000 0.344 290 Y C 0.253 176.090 175.900 -0.105 0.000 0.986 290 Y CA -0.504 57.589 58.100 -0.013 0.000 1.175 290 Y CB 0.586 39.269 38.460 0.371 0.000 1.152 290 Y HN 0.401 nan 8.280 nan 0.000 0.511 291 H N 5.193 124.368 119.070 0.176 0.000 2.787 291 H HA 0.132 4.690 4.556 0.004 0.000 0.275 291 H C -0.826 174.742 175.328 0.401 0.000 1.183 291 H CA -0.614 55.542 56.048 0.180 0.000 1.290 291 H CB 0.070 29.769 29.762 -0.104 0.000 1.438 291 H HN 0.484 nan 8.280 nan 0.000 0.487 292 F N 2.441 122.572 119.950 0.301 0.000 2.456 292 F HA -0.070 4.460 4.527 0.005 0.000 0.358 292 F C 1.488 177.540 175.800 0.420 0.000 1.095 292 F CA -0.581 57.652 58.000 0.389 0.000 1.216 292 F CB 0.857 40.080 39.000 0.372 0.000 1.125 292 F HN 0.392 nan 8.300 nan 0.000 0.549 293 L N 3.257 124.811 121.223 0.552 0.000 2.051 293 L HA -0.142 4.201 4.340 0.005 0.000 0.214 293 L C 0.919 178.053 176.870 0.442 0.000 1.076 293 L CA 1.975 57.083 54.840 0.446 0.000 0.758 293 L CB -0.247 41.981 42.059 0.282 0.000 0.890 293 L HN 0.405 nan 8.230 nan 0.000 0.433 294 R N -0.389 120.423 120.500 0.519 0.000 2.721 294 R HA 0.121 4.464 4.340 0.005 0.000 0.272 294 R C 0.815 177.501 176.300 0.645 0.000 1.721 294 R CA -0.127 56.239 56.100 0.444 0.000 1.325 294 R CB 0.868 31.303 30.300 0.225 0.000 1.271 294 R HN 0.206 nan 8.270 nan 0.000 0.556 295 K N 1.416 122.124 120.400 0.513 0.000 2.160 295 K HA -0.193 4.130 4.320 0.005 0.000 0.206 295 K C 0.879 177.636 176.600 0.261 0.000 1.047 295 K CA 2.289 58.776 56.287 0.333 0.000 0.930 295 K CB 0.324 32.922 32.500 0.164 0.000 0.720 295 K HN 0.399 nan 8.250 nan 0.000 0.450 296 D N -0.489 120.072 120.400 0.269 0.000 2.350 296 D HA -0.216 4.427 4.640 0.005 0.000 0.216 296 D C 1.708 178.169 176.300 0.268 0.000 0.968 296 D CA 0.651 54.773 54.000 0.204 0.000 0.894 296 D CB -0.600 40.298 40.800 0.164 0.000 0.909 296 D HN 0.337 nan 8.370 nan 0.000 0.520 297 Y N 1.509 121.979 120.300 0.283 0.000 2.207 297 Y HA -0.072 4.480 4.550 0.004 0.000 0.287 297 Y C 2.070 178.130 175.900 0.265 0.000 1.156 297 Y CA 1.178 59.474 58.100 0.327 0.000 1.182 297 Y CB -0.240 38.558 38.460 0.563 0.000 0.979 297 Y HN -0.069 nan 8.280 nan 0.000 0.521 298 L N -0.964 120.388 121.223 0.216 0.000 2.549 298 L HA -0.134 4.209 4.340 0.005 0.000 0.229 298 L C 1.634 178.543 176.870 0.066 0.000 1.158 298 L CA 1.273 56.150 54.840 0.061 0.000 0.842 298 L CB -0.523 41.515 42.059 -0.035 0.000 0.952 298 L HN 0.241 nan 8.230 nan 0.000 0.452 299 T N -1.054 113.537 114.554 0.062 0.000 3.085 299 T HA 0.118 4.471 4.350 0.005 0.000 0.241 299 T C 1.876 176.685 174.700 0.182 0.000 0.988 299 T CA -0.045 62.101 62.100 0.077 0.000 1.117 299 T CB 0.176 69.033 68.868 -0.018 0.000 0.978 299 T HN 0.069 nan 8.240 nan 0.000 0.454 300 L N 1.066 122.336 121.223 0.079 0.000 2.081 300 L HA -0.060 4.283 4.340 0.005 0.000 0.212 300 L C 0.887 177.738 176.870 -0.032 0.000 1.080 300 L CA 1.078 55.945 54.840 0.044 0.000 0.754 300 L CB -0.270 41.830 42.059 0.069 0.000 0.893 300 L HN 0.197 nan 8.230 nan 0.000 0.433 301 E N -0.096 120.007 120.200 -0.162 0.000 2.001 301 E HA 0.114 4.466 4.350 0.005 0.000 0.279 301 E C -1.634 174.842 176.600 -0.207 0.000 1.045 301 E CA -1.786 54.490 56.400 -0.207 0.000 0.833 301 E CB 1.109 30.590 29.700 -0.364 0.000 1.077 301 E HN 0.074 nan 8.360 nan 0.000 0.397 302 P HA -0.207 nan 4.420 nan 0.000 0.216 302 P C 1.471 178.445 177.300 -0.543 0.000 1.150 302 P CA 1.338 64.004 63.100 -0.723 0.000 0.843 302 P CB 0.212 31.660 31.700 -0.420 0.000 0.787 303 S N -1.187 114.352 115.700 -0.269 0.000 2.474 303 S HA -0.058 4.415 4.470 0.005 0.000 0.235 303 S C 1.612 176.161 174.600 -0.086 0.000 0.997 303 S CA 0.809 58.907 58.200 -0.171 0.000 0.949 303 S CB -1.383 61.730 63.200 -0.146 0.000 0.766 303 S HN 0.119 nan 8.310 nan 0.000 0.517 304 L N 0.327 121.520 121.223 -0.050 0.000 2.592 304 L HA 0.273 4.616 4.340 0.005 0.000 0.227 304 L C 2.124 179.077 176.870 0.138 0.000 1.127 304 L CA 0.091 54.970 54.840 0.066 0.000 0.884 304 L CB -0.586 41.505 42.059 0.052 0.000 1.065 304 L HN 0.405 nan 8.230 nan 0.000 0.457 305 H N 0.293 119.348 119.070 -0.025 0.000 2.390 305 H HA -0.219 4.339 4.556 0.004 0.000 0.298 305 H C 1.864 177.192 175.328 0.000 0.000 1.106 305 H CA 1.365 57.400 56.048 -0.021 0.000 1.297 305 H CB 0.311 30.059 29.762 -0.022 0.000 1.375 305 H HN 0.425 nan 8.280 nan 0.000 0.509 306 E N 0.428 120.713 120.200 0.142 0.000 2.070 306 E HA -0.200 4.153 4.350 0.005 0.000 0.197 306 E C 2.178 178.853 176.600 0.126 0.000 1.004 306 E CA 1.037 57.504 56.400 0.110 0.000 0.805 306 E CB -0.029 29.717 29.700 0.076 0.000 0.744 306 E HN 0.208 nan 8.360 nan 0.000 0.451 307 L N 1.224 122.519 121.223 0.120 0.000 2.056 307 L HA -0.170 4.173 4.340 0.005 0.000 0.207 307 L C 2.403 179.269 176.870 -0.006 0.000 1.078 307 L CA 1.881 56.754 54.840 0.055 0.000 0.749 307 L CB -0.410 41.638 42.059 -0.018 0.000 0.901 307 L HN -0.031 nan 8.230 nan 0.000 0.433 308 R N -0.422 120.060 120.500 -0.030 0.000 2.096 308 R HA -0.213 4.129 4.340 0.005 0.000 0.240 308 R C 1.834 178.101 176.300 -0.055 0.000 1.139 308 R CA 2.170 58.214 56.100 -0.093 0.000 0.952 308 R CB -0.911 29.329 30.300 -0.099 0.000 0.854 308 R HN 0.347 nan 8.270 nan 0.000 0.436 309 D N -0.420 119.984 120.400 0.005 0.000 2.116 309 D HA -0.215 4.428 4.640 0.005 0.000 0.193 309 D C 1.693 178.019 176.300 0.043 0.000 0.998 309 D CA 1.519 55.532 54.000 0.022 0.000 0.836 309 D CB -0.493 40.342 40.800 0.059 0.000 0.951 309 D HN 0.348 nan 8.370 nan 0.000 0.449 310 Y N 0.854 121.130 120.300 -0.040 0.000 2.242 310 Y HA -0.083 4.470 4.550 0.004 0.000 0.291 310 Y C 2.195 178.065 175.900 -0.050 0.000 1.137 310 Y CA 1.132 59.215 58.100 -0.029 0.000 1.181 310 Y CB -0.149 38.305 38.460 -0.010 0.000 0.989 310 Y HN -0.075 nan 8.280 nan 0.000 0.527 311 I N -0.350 120.225 120.570 0.008 0.000 2.546 311 I HA -0.063 4.109 4.170 0.005 0.000 0.255 311 I C 1.965 178.030 176.117 -0.087 0.000 1.163 311 I CA 0.702 61.947 61.300 -0.091 0.000 1.457 311 I CB -1.085 36.785 38.000 -0.216 0.000 1.092 311 I HN 0.428 nan 8.210 nan 0.000 0.434 312 G N 2.544 111.293 108.800 -0.086 0.000 2.614 312 G HA2 -0.436 3.527 3.960 0.005 0.000 0.303 312 G HA3 -0.436 3.527 3.960 0.005 0.000 0.303 312 G C 0.424 175.289 174.900 -0.058 0.000 1.270 312 G CA 0.727 45.784 45.100 -0.072 0.000 0.988 312 G HN 0.567 nan 8.290 nan 0.000 0.551 313 D N -0.124 120.253 120.400 -0.040 0.000 2.323 313 D HA 0.328 4.970 4.640 0.005 0.000 0.239 313 D C 1.690 177.986 176.300 -0.007 0.000 1.129 313 D CA 1.093 55.078 54.000 -0.026 0.000 0.865 313 D CB 0.122 40.911 40.800 -0.019 0.000 0.913 313 D HN 0.275 nan 8.370 nan 0.000 0.517 314 S N -0.500 115.206 115.700 0.011 0.000 2.556 314 S HA 0.131 4.604 4.470 0.005 0.000 0.216 314 S C 0.306 174.944 174.600 0.063 0.000 0.970 314 S CA -0.601 57.638 58.200 0.065 0.000 0.912 314 S CB 0.036 63.341 63.200 0.175 0.000 0.790 314 S HN 0.279 nan 8.310 nan 0.000 0.504 315 L N 3.488 124.695 121.223 -0.026 0.000 2.283 315 L HA 0.397 4.739 4.340 0.005 0.000 0.287 315 L C -0.494 176.333 176.870 -0.071 0.000 1.073 315 L CA 0.292 55.069 54.840 -0.106 0.000 0.822 315 L CB 0.111 42.025 42.059 -0.242 0.000 1.186 315 L HN -0.199 nan 8.230 nan 0.000 0.436 316 K N 3.166 123.548 120.400 -0.030 0.000 2.281 316 K HA 0.440 4.762 4.320 0.005 0.000 0.242 316 K C -0.908 175.777 176.600 0.142 0.000 0.971 316 K CA -0.896 55.406 56.287 0.025 0.000 0.834 316 K CB 1.677 34.156 32.500 -0.035 0.000 1.181 316 K HN 0.479 nan 8.250 nan 0.000 0.435 317 Q N 1.864 121.763 119.800 0.165 0.000 2.274 317 Q HA 0.255 4.598 4.340 0.005 0.000 0.256 317 Q C -0.354 175.787 176.000 0.235 0.000 0.927 317 Q CA -0.051 55.888 55.803 0.226 0.000 0.939 317 Q CB 0.891 29.737 28.738 0.179 0.000 1.201 317 Q HN 0.612 nan 8.270 nan 0.000 0.426 318 M N 3.750 123.513 119.600 0.272 0.000 2.261 318 M HA -0.037 4.446 4.480 0.005 0.000 0.350 318 M C -0.559 175.653 176.300 -0.147 0.000 1.343 318 M CA 0.686 56.050 55.300 0.105 0.000 1.003 318 M CB 0.387 33.062 32.600 0.124 0.000 1.848 318 M HN 0.582 nan 8.290 nan 0.000 0.456 319 Q N 3.756 123.357 119.800 -0.331 0.000 2.235 319 Q HA 0.193 4.536 4.340 0.005 0.000 0.256 319 Q C -1.058 174.507 176.000 -0.725 0.000 0.951 319 Q CA 0.230 55.834 55.803 -0.332 0.000 0.890 319 Q CB 1.119 29.761 28.738 -0.160 0.000 1.279 319 Q HN 0.894 nan 8.270 nan 0.000 0.444 320 W N 0.877 122.174 121.300 -0.005 0.000 2.506 320 W HA 0.145 4.807 4.660 0.004 0.000 0.394 320 W C 0.293 176.772 176.519 -0.067 0.000 0.920 320 W CA -0.318 57.002 57.345 -0.042 0.000 2.221 320 W CB 0.900 30.344 29.460 -0.027 0.000 1.197 320 W HN 0.581 nan 8.180 nan 0.000 0.627 321 D N -1.668 118.739 120.400 0.012 0.000 2.440 321 D HA 0.123 4.765 4.640 0.005 0.000 0.216 321 D C 1.842 178.027 176.300 -0.192 0.000 1.150 321 D CA 0.043 54.021 54.000 -0.037 0.000 0.832 321 D CB -0.484 40.301 40.800 -0.025 0.000 0.992 321 D HN 0.164 nan 8.370 nan 0.000 0.502 322 G N 0.586 109.205 108.800 -0.301 0.000 2.418 322 G HA2 -0.269 3.693 3.960 0.005 0.000 0.217 322 G HA3 -0.269 3.693 3.960 0.005 0.000 0.217 322 G C 1.195 175.429 174.900 -1.110 0.000 1.158 322 G CA 0.626 45.350 45.100 -0.626 0.000 0.771 322 G HN 0.299 nan 8.290 nan 0.000 0.545 323 F N 1.533 120.969 119.950 -0.857 0.000 2.113 323 F HA 0.066 4.595 4.527 0.004 0.000 0.297 323 F C 2.569 178.143 175.800 -0.376 0.000 1.103 323 F CA 1.915 59.479 58.000 -0.726 0.000 1.248 323 F CB -0.124 38.676 39.000 -0.333 0.000 0.999 323 F HN 0.143 nan 8.300 nan 0.000 0.475 324 K N 0.489 120.759 120.400 -0.217 0.000 2.147 324 K HA -0.182 4.141 4.320 0.005 0.000 0.205 324 K C 1.828 178.289 176.600 -0.231 0.000 1.049 324 K CA 1.525 57.705 56.287 -0.179 0.000 0.936 324 K CB -0.133 32.347 32.500 -0.033 0.000 0.722 324 K HN 0.260 nan 8.250 nan 0.000 0.446 325 K N -0.283 119.941 120.400 -0.294 0.000 2.400 325 K HA 0.046 4.369 4.320 0.005 0.000 0.194 325 K C -0.202 176.327 176.600 -0.118 0.000 1.033 325 K CA -0.226 55.941 56.287 -0.200 0.000 1.021 325 K CB 0.157 32.545 32.500 -0.187 0.000 0.808 325 K HN -0.027 nan 8.250 nan 0.000 0.505 326 F N 2.655 122.464 119.950 -0.234 0.000 2.506 326 F HA -0.009 4.522 4.527 0.005 0.000 0.351 326 F C 1.081 176.755 175.800 -0.211 0.000 1.136 326 F CA -1.652 56.208 58.000 -0.232 0.000 1.298 326 F CB -0.137 38.664 39.000 -0.331 0.000 1.145 326 F HN 0.163 nan 8.300 nan 0.000 0.593 327 N N -0.434 118.304 118.700 0.062 0.000 2.317 327 N HA 0.055 4.798 4.740 0.005 0.000 0.245 327 N C 0.747 176.232 175.510 -0.042 0.000 1.294 327 N CA 0.222 53.265 53.050 -0.011 0.000 0.924 327 N CB 0.016 38.495 38.487 -0.013 0.000 1.186 327 N HN 0.434 nan 8.380 nan 0.000 0.495 328 S N -1.317 114.358 115.700 -0.042 0.000 2.423 328 S HA -0.196 4.277 4.470 0.005 0.000 0.231 328 S C 1.581 176.162 174.600 -0.030 0.000 1.014 328 S CA 1.032 59.209 58.200 -0.039 0.000 0.965 328 S CB -0.431 62.755 63.200 -0.022 0.000 0.785 328 S HN 0.720 nan 8.310 nan 0.000 0.495 329 K N 1.752 122.129 120.400 -0.038 0.000 2.025 329 K HA -0.022 4.300 4.320 0.005 0.000 0.207 329 K C 2.262 178.819 176.600 -0.072 0.000 1.049 329 K CA 1.574 57.836 56.287 -0.041 0.000 0.933 329 K CB -0.633 31.842 32.500 -0.042 0.000 0.714 329 K HN 0.511 nan 8.250 nan 0.000 0.438 330 Q N 0.242 119.961 119.800 -0.135 0.000 2.096 330 Q HA -0.202 4.141 4.340 0.005 0.000 0.204 330 Q C 2.332 178.192 176.000 -0.234 0.000 0.982 330 Q CA 2.011 57.629 55.803 -0.309 0.000 0.850 330 Q CB -0.159 28.282 28.738 -0.495 0.000 0.901 330 Q HN 0.504 nan 8.270 nan 0.000 0.422 331 Q N 0.367 120.125 119.800 -0.069 0.000 2.096 331 Q HA -0.218 4.125 4.340 0.005 0.000 0.204 331 Q C 2.031 178.211 176.000 0.300 0.000 0.982 331 Q CA 1.237 57.122 55.803 0.137 0.000 0.850 331 Q CB -0.110 28.554 28.738 -0.124 0.000 0.901 331 Q HN 0.422 nan 8.270 nan 0.000 0.422 332 E N 0.639 120.918 120.200 0.131 0.000 2.072 332 E HA -0.193 4.159 4.350 0.005 0.000 0.191 332 E C 2.015 178.670 176.600 0.091 0.000 0.985 332 E CA 0.580 57.045 56.400 0.107 0.000 0.801 332 E CB 0.051 29.776 29.700 0.042 0.000 0.750 332 E HN 0.196 nan 8.360 nan 0.000 0.452 333 L N 0.600 121.855 121.223 0.052 0.000 2.046 333 L HA -0.118 4.225 4.340 0.005 0.000 0.208 333 L C 2.124 179.047 176.870 0.088 0.000 1.077 333 L CA 1.597 56.455 54.840 0.030 0.000 0.747 333 L CB -0.827 41.215 42.059 -0.028 0.000 0.896 333 L HN 0.206 nan 8.230 nan 0.000 0.432 334 F N -0.060 119.886 119.950 -0.007 0.000 2.069 334 F HA -0.256 4.274 4.527 0.005 0.000 0.298 334 F C 2.111 177.988 175.800 0.129 0.000 1.113 334 F CA 2.080 60.135 58.000 0.092 0.000 1.214 334 F CB -0.466 38.695 39.000 0.267 0.000 0.978 334 F HN 0.044 nan 8.300 nan 0.000 0.474 335 L N -0.733 120.571 121.223 0.134 0.000 2.083 335 L HA -0.221 4.122 4.340 0.005 0.000 0.209 335 L C 2.727 179.557 176.870 -0.067 0.000 1.083 335 L CA 1.508 56.346 54.840 -0.004 0.000 0.752 335 L CB -1.064 41.064 42.059 0.116 0.000 0.899 335 L HN 0.283 nan 8.230 nan 0.000 0.433 336 S N 0.329 116.012 115.700 -0.028 0.000 2.368 336 S HA -0.102 4.370 4.470 0.005 0.000 0.224 336 S C 1.966 176.531 174.600 -0.058 0.000 1.029 336 S CA 0.927 59.106 58.200 -0.034 0.000 0.988 336 S CB -0.131 63.063 63.200 -0.011 0.000 0.838 336 S HN 0.308 nan 8.310 nan 0.000 0.462 337 I N 1.956 122.480 120.570 -0.077 0.000 2.315 337 I HA -0.096 4.077 4.170 0.005 0.000 0.248 337 I C 2.257 178.288 176.117 -0.142 0.000 1.117 337 I CA 1.315 62.569 61.300 -0.076 0.000 1.404 337 I CB -0.382 37.602 38.000 -0.027 0.000 1.071 337 I HN 0.366 nan 8.210 nan 0.000 0.419 338 V N -1.288 118.461 119.914 -0.275 0.000 3.510 338 V HA 0.061 4.184 4.120 0.005 0.000 0.270 338 V C 0.624 176.632 176.094 -0.144 0.000 1.201 338 V CA 0.393 62.525 62.300 -0.279 0.000 1.166 338 V CB -1.029 30.511 31.823 -0.472 0.000 0.825 338 V HN 0.619 nan 8.190 nan 0.000 0.484 339 N N -0.285 118.364 118.700 -0.086 0.000 2.735 339 N HA -0.229 4.514 4.740 0.005 0.000 0.248 339 N C -0.576 174.966 175.510 0.054 0.000 1.083 339 N CA 1.148 54.183 53.050 -0.025 0.000 0.703 339 N CB -1.832 36.640 38.487 -0.025 0.000 1.005 339 N HN 0.700 nan 8.380 nan 0.000 0.550 340 F N 2.009 121.869 119.950 -0.149 0.000 2.371 340 F HA 0.311 4.841 4.527 0.004 0.000 0.363 340 F C 0.248 175.990 175.800 -0.095 0.000 1.122 340 F CA -1.870 56.049 58.000 -0.135 0.000 1.129 340 F CB 0.596 39.489 39.000 -0.177 0.000 1.173 340 F HN -0.094 nan 8.300 nan 0.000 0.489 341 D N 5.891 126.132 120.400 -0.265 0.000 2.441 341 D HA 0.085 4.727 4.640 0.005 0.000 0.221 341 D C 1.078 176.917 176.300 -0.769 0.000 1.156 341 D CA 0.045 53.803 54.000 -0.405 0.000 0.896 341 D CB 0.768 41.465 40.800 -0.171 0.000 1.028 341 D HN 0.732 nan 8.370 nan 0.000 0.509 342 K N 2.682 122.437 120.400 -1.075 0.000 2.026 342 K HA -0.227 4.096 4.320 0.005 0.000 0.208 342 K C 1.563 177.901 176.600 -0.436 0.000 1.048 342 K CA 1.085 56.748 56.287 -1.040 0.000 0.929 342 K CB 0.193 32.270 32.500 -0.705 0.000 0.713 342 K HN 0.193 nan 8.250 nan 0.000 0.439 343 Q N 1.552 121.180 119.800 -0.286 0.000 2.170 343 Q HA -0.189 4.154 4.340 0.005 0.000 0.203 343 Q C 1.790 177.712 176.000 -0.131 0.000 0.976 343 Q CA 1.926 57.637 55.803 -0.154 0.000 0.858 343 Q CB -0.104 28.571 28.738 -0.105 0.000 0.907 343 Q HN 0.356 nan 8.270 nan 0.000 0.433 344 K N -0.561 119.749 120.400 -0.150 0.000 2.025 344 K HA -0.097 4.226 4.320 0.005 0.000 0.207 344 K C 2.061 178.608 176.600 -0.087 0.000 1.049 344 K CA 1.156 57.388 56.287 -0.092 0.000 0.933 344 K CB -0.370 32.085 32.500 -0.075 0.000 0.714 344 K HN 0.349 nan 8.250 nan 0.000 0.438 345 L N 0.956 122.094 121.223 -0.142 0.000 2.017 345 L HA -0.229 4.113 4.340 0.005 0.000 0.208 345 L C 2.670 179.319 176.870 -0.369 0.000 1.073 345 L CA 1.710 56.413 54.840 -0.230 0.000 0.745 345 L CB -0.393 41.542 42.059 -0.207 0.000 0.894 345 L HN 0.412 nan 8.230 nan 0.000 0.432 346 Q N 0.383 120.037 119.800 -0.243 0.000 2.112 346 Q HA -0.240 4.103 4.340 0.005 0.000 0.206 346 Q C 1.856 177.854 176.000 -0.003 0.000 0.987 346 Q CA 2.096 57.840 55.803 -0.097 0.000 0.858 346 Q CB -0.184 28.537 28.738 -0.028 0.000 0.905 346 Q HN 0.448 nan 8.270 nan 0.000 0.420 347 N N 0.284 118.974 118.700 -0.015 0.000 2.069 347 N HA -0.175 4.568 4.740 0.005 0.000 0.191 347 N C 1.583 177.141 175.510 0.081 0.000 1.031 347 N CA 1.667 54.735 53.050 0.030 0.000 0.852 347 N CB -0.257 38.238 38.487 0.013 0.000 1.018 347 N HN 0.455 nan 8.380 nan 0.000 0.423 348 E N -0.347 119.902 120.200 0.082 0.000 2.077 348 E HA -0.135 4.218 4.350 0.005 0.000 0.193 348 E C 1.463 178.296 176.600 0.389 0.000 0.989 348 E CA 0.682 57.209 56.400 0.211 0.000 0.800 348 E CB -0.169 29.690 29.700 0.265 0.000 0.746 348 E HN 0.364 nan 8.360 nan 0.000 0.452 349 Y N 0.805 121.216 120.300 0.185 0.000 2.465 349 Y HA -0.165 4.388 4.550 0.005 0.000 0.289 349 Y C 1.611 177.572 175.900 0.101 0.000 1.150 349 Y CA 0.771 58.927 58.100 0.093 0.000 1.293 349 Y CB -0.553 37.887 38.460 -0.034 0.000 0.977 349 Y HN 0.145 nan 8.280 nan 0.000 0.556 350 N N -2.088 116.757 118.700 0.241 0.000 2.415 350 N HA 0.000 4.743 4.740 0.005 0.000 0.174 350 N C 1.302 176.874 175.510 0.103 0.000 1.048 350 N CA 0.738 53.878 53.050 0.150 0.000 0.895 350 N CB 0.456 39.012 38.487 0.114 0.000 1.036 350 N HN 0.143 nan 8.380 nan 0.000 0.449 351 S N -1.390 114.367 115.700 0.096 0.000 2.451 351 S HA -0.154 4.318 4.470 0.005 0.000 0.243 351 S C -0.546 174.112 174.600 0.097 0.000 0.688 351 S CA 0.240 58.502 58.200 0.104 0.000 0.907 351 S CB -1.491 61.798 63.200 0.148 0.000 0.707 351 S HN 0.205 nan 8.310 nan 0.000 0.492 352 S N 0.697 116.468 115.700 0.118 0.000 2.566 352 S HA 0.659 5.132 4.470 0.005 0.000 0.298 352 S C 0.567 175.210 174.600 0.073 0.000 1.083 352 S CA 0.219 58.476 58.200 0.094 0.000 0.978 352 S CB 1.423 64.692 63.200 0.115 0.000 1.073 352 S HN 0.550 nan 8.310 nan 0.000 0.491 353 N N 1.612 120.340 118.700 0.046 0.000 2.205 353 N HA -0.014 4.729 4.740 0.005 0.000 0.186 353 N C 0.074 175.586 175.510 0.004 0.000 1.015 353 N CA 0.777 53.840 53.050 0.022 0.000 0.862 353 N CB -0.381 38.113 38.487 0.011 0.000 0.986 353 N HN 0.511 nan 8.380 nan 0.000 0.429 354 L N 2.162 123.395 121.223 0.016 0.000 2.456 354 L HA 0.191 4.534 4.340 0.005 0.000 0.272 354 L C -1.873 174.975 176.870 -0.037 0.000 1.189 354 L CA -1.775 53.047 54.840 -0.029 0.000 0.846 354 L CB -0.171 41.897 42.059 0.014 0.000 1.111 354 L HN -0.032 nan 8.230 nan 0.000 0.475 355 P HA 0.035 nan 4.420 nan 0.000 0.270 355 P C -1.272 176.094 177.300 0.110 0.000 1.223 355 P CA -0.298 62.724 63.100 -0.130 0.000 0.785 355 P CB 0.532 32.024 31.700 -0.346 0.000 0.923 356 N N 0.879 119.678 118.700 0.165 0.000 2.399 356 N HA 0.351 5.094 4.740 0.005 0.000 0.295 356 N C -0.966 174.769 175.510 0.374 0.000 1.048 356 N CA -0.197 53.009 53.050 0.261 0.000 0.886 356 N CB 1.028 39.378 38.487 -0.229 0.000 1.185 356 N HN 0.361 nan 8.380 nan 0.000 0.487 357 F N 1.962 122.093 119.950 0.302 0.000 2.467 357 F HA 0.481 5.011 4.527 0.004 0.000 0.336 357 F C -1.178 174.737 175.800 0.191 0.000 1.123 357 F CA -1.110 56.932 58.000 0.070 0.000 0.964 357 F CB 1.017 39.931 39.000 -0.144 0.000 1.136 357 F HN 0.101 nan 8.300 nan 0.000 0.447 358 V N 7.860 127.657 119.914 -0.196 0.000 2.370 358 V HA 0.275 4.398 4.120 0.005 0.000 0.283 358 V C -0.658 175.039 176.094 -0.660 0.000 1.023 358 V CA -0.755 61.352 62.300 -0.320 0.000 0.857 358 V CB 1.160 32.949 31.823 -0.058 0.000 0.985 358 V HN 0.674 nan 8.190 nan 0.000 0.443 359 F N 5.090 124.541 119.950 -0.832 0.000 2.411 359 F HA 0.569 5.099 4.527 0.005 0.000 0.350 359 F C 0.747 176.379 175.800 -0.280 0.000 1.114 359 F CA -0.296 57.400 58.000 -0.506 0.000 1.135 359 F CB 1.284 40.078 39.000 -0.342 0.000 1.120 359 F HN 0.579 nan 8.300 nan 0.000 0.495 360 T N 3.299 117.214 114.554 -1.065 0.000 2.767 360 T HA 0.714 5.067 4.350 0.005 0.000 0.284 360 T C 0.295 174.445 174.700 -0.916 0.000 0.973 360 T CA -0.474 61.087 62.100 -0.898 0.000 0.996 360 T CB 1.055 69.401 68.868 -0.871 0.000 0.927 360 T HN 0.838 nan 8.240 nan 0.000 0.456 361 G N 1.050 109.616 108.800 -0.389 0.000 2.535 361 G HA2 0.613 4.576 3.960 0.005 0.000 0.303 361 G HA3 0.613 4.576 3.960 0.005 0.000 0.303 361 G C -0.562 174.376 174.900 0.064 0.000 1.237 361 G CA -0.638 44.502 45.100 0.067 0.000 0.986 361 G HN 0.916 nan 8.290 nan 0.000 0.494 362 T N -2.338 112.322 114.554 0.177 0.000 2.831 362 T HA 0.702 5.055 4.350 0.005 0.000 0.287 362 T C -0.573 174.083 174.700 -0.073 0.000 1.070 362 T CA -0.291 61.858 62.100 0.083 0.000 1.010 362 T CB 1.907 70.844 68.868 0.115 0.000 1.264 362 T HN 0.709 nan 8.240 nan 0.000 0.532 363 T N 0.128 114.376 114.554 -0.510 0.000 2.865 363 T HA 0.675 5.028 4.350 0.005 0.000 0.294 363 T C -1.440 172.799 174.700 -0.768 0.000 1.119 363 T CA -0.500 61.221 62.100 -0.632 0.000 1.007 363 T CB 1.124 69.403 68.868 -0.982 0.000 1.225 363 T HN 0.532 nan 8.240 nan 0.000 0.515 364 V N 1.845 121.250 119.914 -0.847 0.000 2.394 364 V HA 0.555 4.677 4.120 0.005 0.000 0.282 364 V C -0.615 175.158 176.094 -0.535 0.000 1.031 364 V CA -1.132 60.691 62.300 -0.795 0.000 0.881 364 V CB 0.680 31.986 31.823 -0.861 0.000 0.982 364 V HN 0.830 nan 8.190 nan 0.000 0.451 365 W N 2.300 123.524 121.300 -0.128 0.000 2.313 365 W HA 0.578 5.241 4.660 0.004 0.000 0.328 365 W C 0.953 177.451 176.519 -0.035 0.000 1.197 365 W CA -0.234 57.080 57.345 -0.052 0.000 1.235 365 W CB 1.087 30.553 29.460 0.010 0.000 1.158 365 W HN 0.955 nan 8.180 nan 0.000 0.578 366 A N 2.358 125.331 122.820 0.256 0.000 2.704 366 A HA -0.072 4.250 4.320 0.005 0.000 0.299 366 A C 0.675 178.322 177.584 0.104 0.000 1.507 366 A CA 1.324 53.457 52.037 0.159 0.000 0.776 366 A CB -1.875 17.222 19.000 0.161 0.000 1.027 366 A HN 1.409 nan 8.150 nan 0.000 0.475 367 G N -1.108 107.699 108.800 0.011 0.000 5.233 367 G HA2 0.376 4.339 3.960 0.005 0.000 0.203 367 G HA3 0.376 4.339 3.960 0.005 0.000 0.203 367 G C 0.326 175.065 174.900 -0.267 0.000 0.734 367 G CA 0.597 45.603 45.100 -0.156 0.000 0.662 367 G HN 0.243 nan 8.290 nan 0.000 0.468 368 N N 1.373 120.031 118.700 -0.070 0.000 2.132 368 N HA -0.183 4.559 4.740 0.005 0.000 0.191 368 N C 1.976 177.464 175.510 -0.038 0.000 1.015 368 N CA 1.844 54.867 53.050 -0.045 0.000 0.864 368 N CB -0.287 38.221 38.487 0.034 0.000 1.006 368 N HN 0.857 nan 8.380 nan 0.000 0.430 369 H N -0.660 118.425 119.070 0.025 0.000 2.518 369 H HA 0.088 4.647 4.556 0.005 0.000 0.292 369 H C 1.110 176.478 175.328 0.067 0.000 1.068 369 H CA 1.163 57.235 56.048 0.040 0.000 1.275 369 H CB -0.209 29.575 29.762 0.037 0.000 1.375 369 H HN 0.327 nan 8.280 nan 0.000 0.563 370 E N 0.775 120.758 120.200 -0.362 0.000 2.472 370 E HA -0.002 4.351 4.350 0.005 0.000 0.196 370 E C 1.822 178.471 176.600 0.081 0.000 1.033 370 E CA 0.114 56.454 56.400 -0.100 0.000 0.886 370 E CB 0.230 29.808 29.700 -0.203 0.000 0.944 370 E HN 0.733 nan 8.360 nan 0.000 0.492 371 R N 0.789 121.269 120.500 -0.033 0.000 2.193 371 R HA 0.003 4.346 4.340 0.005 0.000 0.213 371 R C 1.253 177.603 176.300 0.083 0.000 1.055 371 R CA 0.765 56.857 56.100 -0.014 0.000 0.995 371 R CB -0.156 30.088 30.300 -0.093 0.000 0.893 371 R HN 0.122 nan 8.270 nan 0.000 0.459 372 E N 0.599 120.856 120.200 0.095 0.000 2.107 372 E HA -0.182 4.170 4.350 0.005 0.000 0.191 372 E C 1.552 178.210 176.600 0.096 0.000 0.982 372 E CA 1.055 57.501 56.400 0.076 0.000 0.809 372 E CB -0.224 29.517 29.700 0.067 0.000 0.756 372 E HN 0.350 nan 8.360 nan 0.000 0.459 373 Y N 0.225 120.558 120.300 0.056 0.000 2.242 373 Y HA -0.255 4.298 4.550 0.005 0.000 0.291 373 Y C 1.716 177.583 175.900 -0.055 0.000 1.137 373 Y CA 1.305 59.420 58.100 0.026 0.000 1.181 373 Y CB -0.327 38.202 38.460 0.114 0.000 0.989 373 Y HN -0.008 nan 8.280 nan 0.000 0.527 374 Y N 0.042 120.189 120.300 -0.255 0.000 2.224 374 Y HA -0.179 4.374 4.550 0.005 0.000 0.289 374 Y C 2.706 178.388 175.900 -0.365 0.000 1.146 374 Y CA 1.424 59.316 58.100 -0.346 0.000 1.182 374 Y CB -1.059 37.375 38.460 -0.044 0.000 0.983 374 Y HN 0.259 nan 8.280 nan 0.000 0.524 375 A N -0.022 122.752 122.820 -0.077 0.000 1.873 375 A HA -0.218 4.105 4.320 0.005 0.000 0.215 375 A C 2.268 179.713 177.584 -0.231 0.000 1.186 375 A CA 1.885 53.854 52.037 -0.113 0.000 0.616 375 A CB -0.654 18.309 19.000 -0.062 0.000 0.823 375 A HN 0.431 nan 8.150 nan 0.000 0.442 376 K N -0.975 119.268 120.400 -0.262 0.000 2.097 376 K HA -0.191 4.132 4.320 0.005 0.000 0.206 376 K C 2.060 178.406 176.600 -0.424 0.000 1.049 376 K CA 1.479 57.601 56.287 -0.274 0.000 0.933 376 K CB -0.146 32.247 32.500 -0.178 0.000 0.717 376 K HN 0.347 nan 8.250 nan 0.000 0.442 377 Q N 0.840 120.185 119.800 -0.758 0.000 2.079 377 Q HA -0.159 4.184 4.340 0.005 0.000 0.200 377 Q C 2.079 177.686 176.000 -0.655 0.000 0.974 377 Q CA 1.597 56.775 55.803 -1.042 0.000 0.840 377 Q CB -0.157 27.141 28.738 -2.400 0.000 0.898 377 Q HN 0.535 nan 8.270 nan 0.000 0.430 378 Q N -0.090 119.408 119.800 -0.504 0.000 2.119 378 Q HA -0.033 4.310 4.340 0.005 0.000 0.201 378 Q C 2.212 178.026 176.000 -0.310 0.000 0.972 378 Q CA 0.658 56.334 55.803 -0.212 0.000 0.847 378 Q CB -0.036 28.712 28.738 0.016 0.000 0.903 378 Q HN 0.353 nan 8.270 nan 0.000 0.433 379 I N 1.093 121.510 120.570 -0.254 0.000 2.208 379 I HA -0.312 3.861 4.170 0.005 0.000 0.245 379 I C 2.119 178.170 176.117 -0.109 0.000 1.097 379 I CA 1.146 62.360 61.300 -0.144 0.000 1.363 379 I CB -0.244 37.670 38.000 -0.144 0.000 1.051 379 I HN 0.258 nan 8.210 nan 0.000 0.413 380 N N 0.360 118.965 118.700 -0.157 0.000 2.244 380 N HA -0.133 4.610 4.740 0.005 0.000 0.183 380 N C 1.675 177.163 175.510 -0.037 0.000 1.016 380 N CA 1.058 54.051 53.050 -0.096 0.000 0.866 380 N CB 0.025 38.434 38.487 -0.130 0.000 0.980 380 N HN 0.085 nan 8.380 nan 0.000 0.430 381 V N 0.674 120.562 119.914 -0.044 0.000 2.307 381 V HA -0.166 3.957 4.120 0.005 0.000 0.245 381 V C 2.170 178.327 176.094 0.105 0.000 1.045 381 V CA 1.329 63.694 62.300 0.107 0.000 1.024 381 V CB -0.473 31.527 31.823 0.296 0.000 0.651 381 V HN 0.316 nan 8.190 nan 0.000 0.449 382 I N 0.721 121.172 120.570 -0.199 0.000 2.194 382 I HA -0.274 3.898 4.170 0.005 0.000 0.246 382 I C 2.392 178.541 176.117 0.053 0.000 1.093 382 I CA 1.619 62.807 61.300 -0.187 0.000 1.355 382 I CB -0.566 37.102 38.000 -0.553 0.000 1.046 382 I HN 0.354 nan 8.210 nan 0.000 0.413 383 N N 0.862 119.602 118.700 0.066 0.000 2.166 383 N HA -0.171 4.571 4.740 0.005 0.000 0.186 383 N C 1.567 177.149 175.510 0.119 0.000 1.019 383 N CA 1.122 54.238 53.050 0.110 0.000 0.856 383 N CB -0.634 37.902 38.487 0.081 0.000 0.993 383 N HN 0.397 nan 8.380 nan 0.000 0.426 384 N N 0.890 119.661 118.700 0.119 0.000 2.149 384 N HA -0.092 4.651 4.740 0.005 0.000 0.188 384 N C 1.528 177.151 175.510 0.189 0.000 1.019 384 N CA 1.184 54.313 53.050 0.132 0.000 0.857 384 N CB -0.063 38.480 38.487 0.094 0.000 0.997 384 N HN 0.239 nan 8.380 nan 0.000 0.426 385 A N 1.390 124.363 122.820 0.254 0.000 1.930 385 A HA -0.052 4.270 4.320 0.005 0.000 0.217 385 A C 2.020 179.704 177.584 0.166 0.000 1.175 385 A CA 0.899 53.071 52.037 0.224 0.000 0.627 385 A CB -0.358 18.748 19.000 0.177 0.000 0.815 385 A HN 0.476 nan 8.150 nan 0.000 0.443 386 I N -4.369 116.335 120.570 0.224 0.000 4.018 386 I HA 0.265 4.438 4.170 0.005 0.000 0.337 386 I C 0.002 176.297 176.117 0.298 0.000 1.327 386 I CA -0.264 61.207 61.300 0.285 0.000 1.100 386 I CB 0.107 38.239 38.000 0.219 0.000 1.025 386 I HN 0.076 nan 8.210 nan 0.000 0.396 387 N N 2.553 121.377 118.700 0.206 0.000 2.424 387 N HA 0.156 4.899 4.740 0.005 0.000 0.271 387 N C 0.495 175.864 175.510 -0.236 0.000 0.985 387 N CA -0.054 53.003 53.050 0.011 0.000 0.921 387 N CB 1.476 39.978 38.487 0.025 0.000 1.149 387 N HN 0.220 nan 8.380 nan 0.000 0.492 388 E N 0.849 120.718 120.200 -0.552 0.000 2.204 388 E HA -0.138 4.214 4.350 0.005 0.000 0.195 388 E C 1.054 177.430 176.600 -0.373 0.000 0.990 388 E CA 1.039 56.926 56.400 -0.855 0.000 0.821 388 E CB 0.138 29.442 29.700 -0.660 0.000 0.750 388 E HN 0.682 nan 8.360 nan 0.000 0.477 389 S N 0.087 115.662 115.700 -0.207 0.000 2.660 389 S HA 0.030 4.503 4.470 0.005 0.000 0.223 389 S C 0.661 175.213 174.600 -0.080 0.000 0.963 389 S CA -0.321 57.809 58.200 -0.117 0.000 0.932 389 S CB 0.296 63.448 63.200 -0.079 0.000 0.775 389 S HN 0.001 nan 8.310 nan 0.000 0.531 390 S N 1.864 117.522 115.700 -0.071 0.000 2.501 390 S HA 0.536 5.008 4.470 0.005 0.000 0.301 390 S C -1.885 172.668 174.600 -0.079 0.000 1.096 390 S CA -1.753 56.419 58.200 -0.045 0.000 1.063 390 S CB 1.519 64.733 63.200 0.023 0.000 1.042 390 S HN 0.089 nan 8.310 nan 0.000 0.494 391 P HA -0.056 nan 4.420 nan 0.000 0.226 391 P C 0.489 177.553 177.300 -0.394 0.000 1.153 391 P CA 1.047 63.964 63.100 -0.304 0.000 0.777 391 P CB -0.149 31.301 31.700 -0.415 0.000 0.794 392 H N -2.509 116.510 119.070 -0.085 0.000 2.539 392 H HA 0.043 4.602 4.556 0.004 0.000 0.267 392 H C 0.456 175.765 175.328 -0.033 0.000 0.982 392 H CA -0.548 55.375 56.048 -0.208 0.000 1.146 392 H CB -0.808 28.616 29.762 -0.564 0.000 1.382 392 H HN 0.146 nan 8.280 nan 0.000 0.577 393 Y N 2.273 122.558 120.300 -0.025 0.000 2.969 393 Y HA -0.190 4.363 4.550 0.005 0.000 0.339 393 Y C 1.301 177.213 175.900 0.021 0.000 1.272 393 Y CA -0.137 57.967 58.100 0.007 0.000 1.577 393 Y CB 0.392 38.850 38.460 -0.004 0.000 1.234 393 Y HN 0.037 nan 8.280 nan 0.000 0.590 394 L N 4.976 125.926 121.223 -0.456 0.000 2.187 394 L HA -0.128 4.215 4.340 0.005 0.000 0.213 394 L C 1.964 178.571 176.870 -0.438 0.000 1.100 394 L CA 1.447 56.016 54.840 -0.452 0.000 0.765 394 L CB -0.700 40.977 42.059 -0.637 0.000 0.904 394 L HN 1.102 nan 8.230 nan 0.000 0.437 395 G N -1.145 107.072 108.800 -0.972 0.000 2.211 395 G HA2 -0.196 3.767 3.960 0.005 0.000 0.201 395 G HA3 -0.196 3.767 3.960 0.005 0.000 0.201 395 G C 0.015 174.760 174.900 -0.259 0.000 0.997 395 G CA -0.266 44.567 45.100 -0.445 0.000 0.652 395 G HN 0.332 nan 8.290 nan 0.000 0.500 396 N N -0.686 117.807 118.700 -0.346 0.000 2.961 396 N HA 0.413 5.156 4.740 0.005 0.000 0.245 396 N C -0.842 174.682 175.510 0.023 0.000 1.404 396 N CA -0.160 52.846 53.050 -0.074 0.000 0.880 396 N CB 1.452 39.829 38.487 -0.183 0.000 1.461 396 N HN 0.132 nan 8.380 nan 0.000 0.510 397 S N 0.816 116.550 115.700 0.057 0.000 2.549 397 S HA 0.411 4.883 4.470 0.005 0.000 0.279 397 S C -0.786 173.791 174.600 -0.038 0.000 1.321 397 S CA -0.072 58.199 58.200 0.119 0.000 1.054 397 S CB 0.123 63.386 63.200 0.106 0.000 0.899 397 S HN 0.334 nan 8.310 nan 0.000 0.497 398 Y N -0.020 120.340 120.300 0.100 0.000 2.536 398 Y HA 0.297 4.849 4.550 0.004 0.000 0.347 398 Y C 0.109 176.127 175.900 0.197 0.000 1.000 398 Y CA -1.139 57.048 58.100 0.147 0.000 1.051 398 Y CB 1.260 39.834 38.460 0.190 0.000 1.259 398 Y HN 0.504 nan 8.280 nan 0.000 0.468 399 D N 2.321 122.956 120.400 0.393 0.000 2.390 399 D HA 0.132 4.775 4.640 0.005 0.000 0.249 399 D C -0.798 175.773 176.300 0.453 0.000 1.144 399 D CA -0.080 54.135 54.000 0.358 0.000 0.880 399 D CB 1.537 42.602 40.800 0.442 0.000 1.182 399 D HN 0.227 nan 8.370 nan 0.000 0.451 400 L N 3.735 125.061 121.223 0.171 0.000 2.276 400 L HA 0.398 4.740 4.340 0.005 0.000 0.286 400 L C -1.304 175.463 176.870 -0.170 0.000 1.061 400 L CA -0.073 54.821 54.840 0.090 0.000 0.807 400 L CB 0.061 42.105 42.059 -0.025 0.000 1.177 400 L HN 0.173 nan 8.230 nan 0.000 0.429 401 F N 5.073 124.988 119.950 -0.059 0.000 2.563 401 F HA 0.525 5.055 4.527 0.005 0.000 0.316 401 F C -0.694 175.099 175.800 -0.012 0.000 1.076 401 F CA -0.532 57.469 58.000 0.001 0.000 0.921 401 F CB 1.900 40.942 39.000 0.069 0.000 1.209 401 F HN 0.366 nan 8.300 nan 0.000 0.462 402 F N 2.992 122.973 119.950 0.051 0.000 2.540 402 F HA 0.651 5.181 4.527 0.005 0.000 0.317 402 F C -1.070 174.740 175.800 0.016 0.000 1.104 402 F CA -1.117 56.888 58.000 0.009 0.000 0.913 402 F CB 1.614 40.616 39.000 0.003 0.000 1.170 402 F HN 0.289 nan 8.300 nan 0.000 0.450 403 K N 4.463 124.392 120.400 -0.784 0.000 2.701 403 K HA 0.527 4.850 4.320 0.005 0.000 0.212 403 K C -0.349 175.581 176.600 -1.116 0.000 1.035 403 K CA 0.045 55.847 56.287 -0.809 0.000 1.048 403 K CB 0.707 32.924 32.500 -0.471 0.000 1.234 403 K HN 1.061 nan 8.250 nan 0.000 0.540 404 G N 4.786 112.652 108.800 -1.558 0.000 2.392 404 G HA2 -0.256 3.707 3.960 0.005 0.000 0.256 404 G HA3 -0.256 3.707 3.960 0.005 0.000 0.256 404 G C -0.315 174.351 174.900 -0.390 0.000 0.920 404 G CA 0.152 44.820 45.100 -0.720 0.000 1.316 404 G HN 0.810 nan 8.290 nan 0.000 0.416 405 H N 2.208 121.115 119.070 -0.270 0.000 3.073 405 H HA -0.112 4.447 4.556 0.005 0.000 0.232 405 H C -0.550 174.724 175.328 -0.090 0.000 0.741 405 H CA 0.417 56.377 56.048 -0.146 0.000 1.472 405 H CB 0.567 30.258 29.762 -0.119 0.000 1.361 405 H HN 0.299 nan 8.280 nan 0.000 0.466 406 P HA -0.121 nan 4.420 nan 0.000 0.216 406 P C 1.181 178.584 177.300 0.173 0.000 1.150 406 P CA 1.957 65.048 63.100 -0.014 0.000 0.843 406 P CB 0.159 31.801 31.700 -0.096 0.000 0.787 407 G N -1.337 107.718 108.800 0.425 0.000 3.448 407 G HA2 0.193 4.156 3.960 0.005 0.000 0.261 407 G HA3 0.193 4.156 3.960 0.005 0.000 0.261 407 G C 1.350 176.301 174.900 0.085 0.000 1.173 407 G CA 0.309 45.603 45.100 0.324 0.000 0.835 407 G HN 0.302 nan 8.290 nan 0.000 0.534 408 G N 0.262 109.122 108.800 0.100 0.000 2.448 408 G HA2 0.306 4.269 3.960 0.005 0.000 0.218 408 G HA3 0.306 4.269 3.960 0.005 0.000 0.218 408 G C 1.442 176.365 174.900 0.037 0.000 1.135 408 G CA 0.681 45.799 45.100 0.030 0.000 0.784 408 G HN 1.055 nan 8.290 nan 0.000 0.543 409 G N 0.895 109.735 108.800 0.066 0.000 2.660 409 G HA2 -0.381 3.582 3.960 0.005 0.000 0.321 409 G HA3 -0.381 3.582 3.960 0.005 0.000 0.321 409 G C 1.206 176.139 174.900 0.055 0.000 1.246 409 G CA 0.404 45.539 45.100 0.058 0.000 1.000 409 G HN 0.333 nan 8.290 nan 0.000 0.550 410 I N 1.795 122.387 120.570 0.036 0.000 2.756 410 I HA -0.005 4.168 4.170 0.005 0.000 0.262 410 I C 2.780 178.915 176.117 0.030 0.000 1.225 410 I CA 1.317 62.634 61.300 0.030 0.000 1.472 410 I CB -0.822 37.190 38.000 0.020 0.000 1.094 410 I HN 0.471 nan 8.210 nan 0.000 0.454 411 I N 0.750 121.343 120.570 0.038 0.000 2.202 411 I HA -0.316 3.856 4.170 0.005 0.000 0.242 411 I C 2.050 178.218 176.117 0.085 0.000 1.091 411 I CA 1.075 62.407 61.300 0.054 0.000 1.368 411 I CB -0.511 37.532 38.000 0.071 0.000 1.058 411 I HN 0.234 nan 8.210 nan 0.000 0.410 412 N N 0.526 119.317 118.700 0.152 0.000 2.120 412 N HA -0.172 4.570 4.740 0.005 0.000 0.188 412 N C 2.017 177.594 175.510 0.112 0.000 1.024 412 N CA 2.142 55.344 53.050 0.253 0.000 0.852 412 N CB -0.846 37.839 38.487 0.331 0.000 1.003 412 N HN 0.469 nan 8.380 nan 0.000 0.424 413 T N -0.359 114.237 114.554 0.070 0.000 2.821 413 T HA 0.002 4.355 4.350 0.005 0.000 0.267 413 T C 2.141 176.827 174.700 -0.024 0.000 1.046 413 T CA 0.617 62.733 62.100 0.027 0.000 1.139 413 T CB -0.490 68.394 68.868 0.028 0.000 0.871 413 T HN 0.082 nan 8.240 nan 0.000 0.454 414 L N 0.147 121.351 121.223 -0.032 0.000 2.012 414 L HA 0.020 4.363 4.340 0.005 0.000 0.210 414 L C 2.835 179.633 176.870 -0.120 0.000 1.073 414 L CA 1.498 56.297 54.840 -0.067 0.000 0.748 414 L CB -0.530 41.497 42.059 -0.054 0.000 0.891 414 L HN 0.282 nan 8.230 nan 0.000 0.431 415 I N -1.286 119.191 120.570 -0.156 0.000 2.226 415 I HA -0.318 3.854 4.170 0.005 0.000 0.245 415 I C 2.531 178.504 176.117 -0.240 0.000 1.100 415 I CA 1.087 62.233 61.300 -0.257 0.000 1.374 415 I CB -0.125 37.579 38.000 -0.493 0.000 1.057 415 I HN 0.298 nan 8.210 nan 0.000 0.413 416 M N 0.759 120.220 119.600 -0.232 0.000 2.132 416 M HA -0.218 4.265 4.480 0.005 0.000 0.263 416 M C 2.281 178.542 176.300 -0.065 0.000 1.065 416 M CA 1.764 56.986 55.300 -0.131 0.000 1.122 416 M CB -0.519 32.061 32.600 -0.033 0.000 1.365 416 M HN 0.289 nan 8.290 nan 0.000 0.411 417 Q N -1.775 117.974 119.800 -0.084 0.000 2.472 417 Q HA -0.071 4.271 4.340 0.005 0.000 0.208 417 Q C 1.377 177.283 176.000 -0.156 0.000 0.958 417 Q CA 0.914 56.664 55.803 -0.088 0.000 0.932 417 Q CB -0.961 27.735 28.738 -0.069 0.000 1.007 417 Q HN 0.626 nan 8.270 nan 0.000 0.508 418 N N -0.119 118.433 118.700 -0.245 0.000 2.459 418 N HA -0.067 4.676 4.740 0.005 0.000 0.181 418 N C -0.774 174.312 175.510 -0.707 0.000 1.046 418 N CA 0.488 53.239 53.050 -0.497 0.000 0.904 418 N CB 0.351 38.435 38.487 -0.671 0.000 0.964 418 N HN 0.226 nan 8.380 nan 0.000 0.444 419 Y N -0.225 120.002 120.300 -0.122 0.000 2.488 419 Y HA 0.357 4.910 4.550 0.005 0.000 0.330 419 Y C -1.801 174.050 175.900 -0.081 0.000 1.013 419 Y CA -1.949 56.091 58.100 -0.101 0.000 1.304 419 Y CB 1.791 40.178 38.460 -0.123 0.000 1.098 419 Y HN -0.029 nan 8.280 nan 0.000 0.498 420 P HA -0.365 nan 4.420 nan 0.000 0.214 420 P C 1.249 178.557 177.300 0.012 0.000 1.164 420 P CA 3.170 66.279 63.100 0.015 0.000 0.942 420 P CB 0.345 32.048 31.700 0.005 0.000 0.791 421 S N -3.958 111.747 115.700 0.007 0.000 1.356 421 S HA -0.236 4.237 4.470 0.005 0.000 0.252 421 S C 0.327 174.905 174.600 -0.037 0.000 0.626 421 S CA 0.882 59.091 58.200 0.015 0.000 1.154 421 S CB -2.108 61.136 63.200 0.073 0.000 0.913 421 S HN 0.176 nan 8.310 nan 0.000 0.491 422 M N 3.271 122.860 119.600 -0.019 0.000 2.242 422 M HA 0.531 5.014 4.480 0.005 0.000 0.344 422 M C -0.877 175.343 176.300 -0.133 0.000 1.140 422 M CA -0.089 55.150 55.300 -0.100 0.000 1.160 422 M CB 1.275 33.843 32.600 -0.053 0.000 1.491 422 M HN 0.319 nan 8.290 nan 0.000 0.459 423 V N 4.049 123.799 119.914 -0.274 0.000 2.370 423 V HA 0.207 4.330 4.120 0.005 0.000 0.283 423 V C -0.707 175.400 176.094 0.021 0.000 1.023 423 V CA -0.690 61.488 62.300 -0.203 0.000 0.857 423 V CB 1.407 32.942 31.823 -0.480 0.000 0.985 423 V HN 0.773 nan 8.190 nan 0.000 0.443 424 D N 4.176 124.635 120.400 0.098 0.000 2.325 424 D HA 0.317 4.960 4.640 0.005 0.000 0.251 424 D C 0.769 177.145 176.300 0.127 0.000 1.196 424 D CA -0.326 53.765 54.000 0.152 0.000 0.866 424 D CB 0.450 41.334 40.800 0.140 0.000 1.101 424 D HN 0.534 nan 8.370 nan 0.000 0.476 425 I N 3.759 124.411 120.570 0.137 0.000 2.763 425 I HA -0.214 3.958 4.170 0.005 0.000 0.135 425 I C -1.851 174.248 176.117 -0.030 0.000 0.890 425 I CA -0.594 60.731 61.300 0.040 0.000 2.762 425 I CB -1.172 36.833 38.000 0.007 0.000 0.584 425 I HN 0.286 nan 8.210 nan 0.000 0.355 426 P HA -0.082 nan 4.420 nan 0.000 0.260 426 P C 1.092 178.341 177.300 -0.084 0.000 1.172 426 P CA 0.504 63.592 63.100 -0.020 0.000 0.760 426 P CB 0.713 32.415 31.700 0.002 0.000 0.773 427 S N 4.376 120.023 115.700 -0.089 0.000 2.440 427 S HA -0.232 4.240 4.470 0.005 0.000 0.238 427 S C 1.405 175.927 174.600 -0.130 0.000 1.010 427 S CA 1.178 59.292 58.200 -0.143 0.000 0.972 427 S CB -0.758 62.391 63.200 -0.085 0.000 0.774 427 S HN 0.578 nan 8.310 nan 0.000 0.501 428 K N 0.978 121.323 120.400 -0.091 0.000 2.365 428 K HA 0.114 4.437 4.320 0.005 0.000 0.199 428 K C 0.360 176.874 176.600 -0.143 0.000 1.045 428 K CA 0.466 56.695 56.287 -0.096 0.000 0.962 428 K CB -0.527 31.936 32.500 -0.063 0.000 0.759 428 K HN 0.430 nan 8.250 nan 0.000 0.469 429 I N 2.806 123.278 120.570 -0.163 0.000 2.363 429 I HA 0.009 4.182 4.170 0.005 0.000 0.292 429 I C -0.129 175.846 176.117 -0.237 0.000 1.075 429 I CA -0.463 60.707 61.300 -0.216 0.000 1.333 429 I CB 1.247 39.091 38.000 -0.260 0.000 1.415 429 I HN 0.060 nan 8.210 nan 0.000 0.502 430 S N 5.122 120.686 115.700 -0.228 0.000 2.563 430 S HA -0.067 4.406 4.470 0.005 0.000 0.294 430 S C 0.938 175.406 174.600 -0.220 0.000 1.279 430 S CA -0.211 57.868 58.200 -0.201 0.000 1.069 430 S CB 0.182 63.291 63.200 -0.153 0.000 0.828 430 S HN 0.533 nan 8.310 nan 0.000 0.497 431 F N 3.484 123.213 119.950 -0.368 0.000 2.269 431 F HA -0.102 4.427 4.527 0.004 0.000 0.301 431 F C 2.233 177.789 175.800 -0.406 0.000 1.082 431 F CA 1.418 59.174 58.000 -0.407 0.000 1.360 431 F CB -0.086 38.657 39.000 -0.428 0.000 1.041 431 F HN 0.700 nan 8.300 nan 0.000 0.512 432 E N 0.487 120.452 120.200 -0.392 0.000 2.409 432 E HA -0.139 4.213 4.350 0.005 0.000 0.198 432 E C 2.368 178.712 176.600 -0.428 0.000 1.024 432 E CA 1.251 57.322 56.400 -0.549 0.000 0.861 432 E CB -1.666 27.519 29.700 -0.858 0.000 0.788 432 E HN 0.470 nan 8.360 nan 0.000 0.521 433 V N 0.009 119.713 119.914 -0.350 0.000 2.626 433 V HA -0.164 3.959 4.120 0.005 0.000 0.252 433 V C 2.151 177.955 176.094 -0.483 0.000 1.067 433 V CA 0.936 63.053 62.300 -0.304 0.000 1.081 433 V CB -0.547 31.148 31.823 -0.214 0.000 0.686 433 V HN 0.180 nan 8.190 nan 0.000 0.468 434 L N -0.687 120.116 121.223 -0.701 0.000 2.093 434 L HA -0.117 4.226 4.340 0.005 0.000 0.208 434 L C 2.733 179.294 176.870 -0.514 0.000 1.085 434 L CA 2.446 56.877 54.840 -0.681 0.000 0.755 434 L CB -0.709 40.828 42.059 -0.871 0.000 0.904 434 L HN 0.424 nan 8.230 nan 0.000 0.435 435 M N -0.158 119.089 119.600 -0.588 0.000 2.086 435 M HA -0.236 4.247 4.480 0.005 0.000 0.261 435 M C 2.362 178.517 176.300 -0.242 0.000 1.067 435 M CA 1.859 56.916 55.300 -0.405 0.000 1.116 435 M CB 0.005 32.335 32.600 -0.451 0.000 1.348 435 M HN 0.176 nan 8.290 nan 0.000 0.407 436 M N -0.555 118.906 119.600 -0.231 0.000 2.296 436 M HA -0.105 4.377 4.480 0.005 0.000 0.265 436 M C 1.633 177.847 176.300 -0.143 0.000 1.064 436 M CA 1.850 57.081 55.300 -0.115 0.000 1.109 436 M CB -0.500 32.046 32.600 -0.090 0.000 1.396 436 M HN 0.439 nan 8.290 nan 0.000 0.430 437 T N -4.010 110.391 114.554 -0.256 0.000 3.144 437 T HA 0.073 4.426 4.350 0.005 0.000 0.249 437 T C 0.323 175.033 174.700 0.017 0.000 1.089 437 T CA 0.129 62.148 62.100 -0.134 0.000 0.989 437 T CB -0.195 68.615 68.868 -0.095 0.000 0.992 437 T HN 0.364 nan 8.240 nan 0.000 0.540 438 D N 0.372 120.757 120.400 -0.025 0.000 2.699 438 D HA -0.139 4.504 4.640 0.005 0.000 0.239 438 D C 0.092 176.402 176.300 0.018 0.000 1.136 438 D CA 0.417 54.413 54.000 -0.005 0.000 0.668 438 D CB -1.288 39.534 40.800 0.037 0.000 1.060 438 D HN 0.350 nan 8.370 nan 0.000 0.429 439 M N 0.073 119.667 119.600 -0.011 0.000 2.596 439 M HA 0.215 4.698 4.480 0.005 0.000 0.364 439 M C -0.315 176.013 176.300 0.046 0.000 1.158 439 M CA -0.545 54.809 55.300 0.091 0.000 0.940 439 M CB 0.142 32.825 32.600 0.138 0.000 1.388 439 M HN -0.001 nan 8.290 nan 0.000 0.522 440 L N 3.286 124.464 121.223 -0.076 0.000 2.453 440 L HA 0.270 4.612 4.340 0.005 0.000 0.272 440 L C -1.460 175.350 176.870 -0.101 0.000 1.182 440 L CA -1.058 53.718 54.840 -0.106 0.000 0.858 440 L CB -0.318 41.664 42.059 -0.129 0.000 1.120 440 L HN 0.133 nan 8.230 nan 0.000 0.474 441 P HA 0.125 nan 4.420 nan 0.000 0.289 441 P C -0.114 177.081 177.300 -0.175 0.000 1.299 441 P CA -0.391 62.501 63.100 -0.347 0.000 0.766 441 P CB 0.989 32.570 31.700 -0.198 0.000 1.226 442 D N -1.036 119.287 120.400 -0.129 0.000 2.183 442 D HA 0.061 4.704 4.640 0.005 0.000 0.203 442 D C 0.631 176.972 176.300 0.069 0.000 0.969 442 D CA 1.228 55.231 54.000 0.005 0.000 0.842 442 D CB 0.118 40.966 40.800 0.080 0.000 0.957 442 D HN 0.425 nan 8.370 nan 0.000 0.484 443 A N 0.599 123.475 122.820 0.093 0.000 2.422 443 A HA 0.522 4.845 4.320 0.005 0.000 0.302 443 A C -1.077 176.591 177.584 0.139 0.000 1.041 443 A CA -0.649 51.413 52.037 0.041 0.000 0.708 443 A CB 2.449 21.337 19.000 -0.186 0.000 1.257 443 A HN -0.031 nan 8.150 nan 0.000 0.414 444 V N 1.233 121.197 119.914 0.084 0.000 2.588 444 V HA 0.947 5.069 4.120 0.005 0.000 0.304 444 V C -0.294 175.798 176.094 -0.004 0.000 1.042 444 V CA 0.325 62.673 62.300 0.080 0.000 0.877 444 V CB 1.201 33.051 31.823 0.044 0.000 0.996 444 V HN 2.184 nan 8.190 nan 0.000 0.425 445 A N 4.061 126.872 122.820 -0.014 0.000 2.566 445 A HA 1.101 5.424 4.320 0.005 0.000 0.292 445 A C 0.046 177.406 177.584 -0.374 0.000 1.112 445 A CA -0.104 51.708 52.037 -0.375 0.000 0.707 445 A CB 1.704 20.104 19.000 -1.000 0.000 1.302 445 A HN 2.469 nan 8.150 nan 0.000 0.409 446 G N -0.740 107.772 108.800 -0.479 0.000 2.344 446 G HA2 0.455 4.418 3.960 0.005 0.000 0.282 446 G HA3 0.455 4.418 3.960 0.005 0.000 0.282 446 G C -1.536 173.174 174.900 -0.316 0.000 1.281 446 G CA -0.512 44.217 45.100 -0.618 0.000 0.877 446 G HN 0.815 nan 8.290 nan 0.000 0.494 447 I N 1.848 122.262 120.570 -0.261 0.000 2.472 447 I HA 0.546 4.719 4.170 0.005 0.000 0.290 447 I C 1.449 177.463 176.117 -0.172 0.000 1.016 447 I CA -0.530 60.692 61.300 -0.130 0.000 1.348 447 I CB 0.738 38.760 38.000 0.036 0.000 1.417 447 I HN 0.966 nan 8.210 nan 0.000 0.521 448 A N 4.798 127.374 122.820 -0.407 0.000 2.598 448 A HA 0.260 4.583 4.320 0.005 0.000 0.239 448 A C 0.537 178.081 177.584 -0.067 0.000 1.032 448 A CA 0.708 52.476 52.037 -0.449 0.000 0.760 448 A CB -0.081 18.323 19.000 -0.992 0.000 0.946 448 A HN 0.839 nan 8.150 nan 0.000 0.512 449 S N 1.054 116.832 115.700 0.131 0.000 2.567 449 S HA 0.428 4.900 4.470 0.005 0.000 0.270 449 S C 0.928 175.588 174.600 0.101 0.000 1.152 449 S CA 0.103 58.363 58.200 0.100 0.000 0.835 449 S CB 0.853 64.059 63.200 0.010 0.000 1.115 449 S HN 0.948 nan 8.310 nan 0.000 0.459 450 S N 1.718 117.346 115.700 -0.119 0.000 2.420 450 S HA -0.143 4.330 4.470 0.005 0.000 0.237 450 S C 1.951 176.466 174.600 -0.141 0.000 1.023 450 S CA 1.949 59.919 58.200 -0.383 0.000 0.991 450 S CB -0.917 62.071 63.200 -0.352 0.000 0.792 450 S HN 0.833 nan 8.310 nan 0.000 0.488 451 L N -0.973 120.144 121.223 -0.176 0.000 2.131 451 L HA 0.008 4.351 4.340 0.005 0.000 0.210 451 L C 1.817 178.525 176.870 -0.270 0.000 1.092 451 L CA 1.623 56.296 54.840 -0.278 0.000 0.759 451 L CB -1.363 40.445 42.059 -0.418 0.000 0.903 451 L HN 0.097 nan 8.230 nan 0.000 0.435 452 Y N -0.857 119.460 120.300 0.029 0.000 2.616 452 Y HA 0.063 4.616 4.550 0.004 0.000 0.296 452 Y C 1.944 177.921 175.900 0.127 0.000 1.154 452 Y CA 0.576 58.700 58.100 0.039 0.000 1.325 452 Y CB -0.868 37.572 38.460 -0.034 0.000 1.007 452 Y HN 0.148 nan 8.280 nan 0.000 0.542 453 F N -1.198 118.748 119.950 -0.007 0.000 2.502 453 F HA -0.149 4.381 4.527 0.005 0.000 0.298 453 F C 1.831 177.616 175.800 -0.025 0.000 1.111 453 F CA 1.081 59.064 58.000 -0.028 0.000 1.445 453 F CB 0.075 39.025 39.000 -0.083 0.000 1.081 453 F HN -0.018 nan 8.300 nan 0.000 0.558 454 T N -1.047 113.558 114.554 0.085 0.000 3.075 454 T HA 0.201 4.554 4.350 0.005 0.000 0.251 454 T C 0.619 175.233 174.700 -0.143 0.000 0.979 454 T CA -0.173 61.880 62.100 -0.078 0.000 1.033 454 T CB 0.303 68.967 68.868 -0.340 0.000 1.104 454 T HN -0.308 nan 8.240 nan 0.000 0.473 455 I N 3.801 124.287 120.570 -0.140 0.000 2.752 455 I HA 0.139 4.311 4.170 0.005 0.000 0.289 455 I C -2.269 173.831 176.117 -0.027 0.000 1.197 455 I CA -3.088 58.148 61.300 -0.105 0.000 1.432 455 I CB -0.538 37.429 38.000 -0.056 0.000 1.359 455 I HN 0.033 nan 8.210 nan 0.000 0.571 456 P HA 0.029 nan 4.420 nan 0.000 0.262 456 P C 0.573 177.884 177.300 0.018 0.000 1.182 456 P CA 0.040 63.135 63.100 -0.008 0.000 0.761 456 P CB 0.581 32.269 31.700 -0.019 0.000 0.795 457 A N 4.318 127.151 122.820 0.021 0.000 1.958 457 A HA -0.274 4.049 4.320 0.005 0.000 0.221 457 A C 1.990 179.586 177.584 0.019 0.000 1.178 457 A CA 2.256 54.307 52.037 0.023 0.000 0.642 457 A CB -1.093 17.916 19.000 0.016 0.000 0.816 457 A HN 0.700 nan 8.150 nan 0.000 0.453 458 E N -0.382 119.826 120.200 0.014 0.000 2.204 458 E HA -0.170 4.183 4.350 0.005 0.000 0.195 458 E C 1.650 178.257 176.600 0.012 0.000 0.990 458 E CA 1.448 57.854 56.400 0.011 0.000 0.821 458 E CB -0.080 29.624 29.700 0.007 0.000 0.750 458 E HN 0.382 nan 8.360 nan 0.000 0.477 459 K N 0.485 120.895 120.400 0.017 0.000 2.228 459 K HA 0.136 4.458 4.320 0.005 0.000 0.202 459 K C 0.525 177.142 176.600 0.028 0.000 1.051 459 K CA 0.288 56.588 56.287 0.022 0.000 0.960 459 K CB -0.022 32.494 32.500 0.027 0.000 0.743 459 K HN 0.320 nan 8.250 nan 0.000 0.458 460 I N 2.647 123.238 120.570 0.035 0.000 2.505 460 I HA -0.030 4.143 4.170 0.005 0.000 0.287 460 I C 1.265 177.359 176.117 -0.037 0.000 1.104 460 I CA -0.107 61.201 61.300 0.013 0.000 1.387 460 I CB 0.630 38.641 38.000 0.019 0.000 1.404 460 I HN -0.186 nan 8.210 nan 0.000 0.528 461 K N 6.335 126.676 120.400 -0.098 0.000 2.128 461 K HA 0.185 4.508 4.320 0.005 0.000 0.202 461 K C -0.020 176.612 176.600 0.054 0.000 1.050 461 K CA 1.060 57.309 56.287 -0.063 0.000 0.966 461 K CB 0.084 32.499 32.500 -0.143 0.000 0.759 461 K HN 0.650 nan 8.250 nan 0.000 0.454 462 F N -1.771 118.116 119.950 -0.103 0.000 2.744 462 F HA 0.541 5.071 4.527 0.004 0.000 0.311 462 F C -1.212 174.432 175.800 -0.261 0.000 1.144 462 F CA -1.575 56.338 58.000 -0.145 0.000 0.938 462 F CB 0.784 39.726 39.000 -0.096 0.000 1.292 462 F HN -0.274 nan 8.300 nan 0.000 0.444 463 I N 2.559 123.072 120.570 -0.094 0.000 2.530 463 I HA 0.701 4.873 4.170 0.005 0.000 0.297 463 I C -1.087 174.943 176.117 -0.145 0.000 1.011 463 I CA -1.396 59.684 61.300 -0.367 0.000 1.107 463 I CB 2.159 39.772 38.000 -0.644 0.000 1.285 463 I HN 0.535 nan 8.210 nan 0.000 0.436 464 V N 5.585 125.385 119.914 -0.191 0.000 2.588 464 V HA 0.446 4.568 4.120 0.005 0.000 0.304 464 V C -0.562 175.373 176.094 -0.264 0.000 1.042 464 V CA -0.600 61.654 62.300 -0.076 0.000 0.877 464 V CB 1.877 33.789 31.823 0.148 0.000 0.996 464 V HN 0.391 nan 8.190 nan 0.000 0.425 465 F N 1.067 120.862 119.950 -0.258 0.000 2.403 465 F HA 0.435 4.964 4.527 0.004 0.000 0.326 465 F C 1.237 176.796 175.800 -0.402 0.000 1.081 465 F CA -0.314 57.520 58.000 -0.275 0.000 1.041 465 F CB 1.238 40.040 39.000 -0.330 0.000 1.234 465 F HN 0.352 nan 8.300 nan 0.000 0.503 466 T N 1.459 115.778 114.554 -0.393 0.000 2.932 466 T HA 0.228 4.581 4.350 0.005 0.000 0.312 466 T C -0.309 173.949 174.700 -0.737 0.000 1.071 466 T CA 0.160 61.604 62.100 -1.093 0.000 1.128 466 T CB 0.335 68.856 68.868 -0.577 0.000 0.984 466 T HN 0.519 nan 8.240 nan 0.000 0.549 467 S N 0.917 115.956 115.700 -1.102 0.000 2.570 467 S HA 0.648 5.121 4.470 0.005 0.000 0.286 467 S C 0.188 174.907 174.600 0.199 0.000 1.099 467 S CA -1.028 57.015 58.200 -0.261 0.000 0.913 467 S CB 1.950 65.118 63.200 -0.053 0.000 1.085 467 S HN 0.900 nan 8.310 nan 0.000 0.480 468 T N -0.711 113.962 114.554 0.197 0.000 2.849 468 T HA 0.416 4.769 4.350 0.005 0.000 0.276 468 T C 0.578 175.364 174.700 0.143 0.000 0.971 468 T CA -0.734 61.505 62.100 0.233 0.000 0.949 468 T CB 0.472 69.411 68.868 0.119 0.000 1.093 468 T HN 0.580 nan 8.240 nan 0.000 0.545 469 E N -0.406 119.713 120.200 -0.134 0.000 2.526 469 E HA -0.005 4.348 4.350 0.005 0.000 0.198 469 E C 1.072 177.651 176.600 -0.035 0.000 1.091 469 E CA 0.222 56.514 56.400 -0.180 0.000 0.880 469 E CB 0.019 29.506 29.700 -0.355 0.000 0.873 469 E HN 0.621 nan 8.360 nan 0.000 0.527 470 T N 0.298 114.854 114.554 0.002 0.000 3.480 470 T HA 0.071 4.423 4.350 0.005 0.000 0.229 470 T C 1.753 176.459 174.700 0.009 0.000 0.944 470 T CA -0.149 61.954 62.100 0.005 0.000 1.388 470 T CB 0.027 68.898 68.868 0.005 0.000 1.180 470 T HN -0.016 nan 8.240 nan 0.000 0.414 471 I N 1.433 122.002 120.570 -0.001 0.000 3.876 471 I HA -0.361 3.812 4.170 0.005 0.000 0.148 471 I C 2.177 178.282 176.117 -0.020 0.000 0.754 471 I CA 2.123 63.405 61.300 -0.030 0.000 0.952 471 I CB -1.317 36.634 38.000 -0.083 0.000 0.738 471 I HN 0.333 nan 8.210 nan 0.000 0.283 472 T N -0.673 113.872 114.554 -0.015 0.000 3.100 472 T HA 0.007 4.359 4.350 0.005 0.000 0.253 472 T C 0.229 174.878 174.700 -0.085 0.000 1.118 472 T CA -0.047 62.038 62.100 -0.023 0.000 1.058 472 T CB -0.572 68.313 68.868 0.028 0.000 0.953 472 T HN 0.343 nan 8.240 nan 0.000 0.515 473 D N 1.577 121.933 120.400 -0.075 0.000 2.973 473 D HA -0.126 4.517 4.640 0.005 0.000 0.214 473 D C 1.207 177.412 176.300 -0.158 0.000 1.079 473 D CA 0.550 54.498 54.000 -0.087 0.000 0.797 473 D CB 0.499 41.259 40.800 -0.066 0.000 1.168 473 D HN 0.139 nan 8.370 nan 0.000 0.515 474 R N 2.551 122.981 120.500 -0.116 0.000 2.112 474 R HA -0.082 4.261 4.340 0.005 0.000 0.216 474 R C 1.617 177.848 176.300 -0.115 0.000 1.080 474 R CA 0.677 56.693 56.100 -0.140 0.000 0.996 474 R CB 0.033 30.326 30.300 -0.012 0.000 0.902 474 R HN 0.515 nan 8.270 nan 0.000 0.449 475 E N 0.043 120.205 120.200 -0.064 0.000 2.058 475 E HA -0.151 4.202 4.350 0.005 0.000 0.194 475 E C 1.437 178.007 176.600 -0.050 0.000 0.997 475 E CA 2.436 58.814 56.400 -0.036 0.000 0.801 475 E CB 0.003 29.691 29.700 -0.021 0.000 0.746 475 E HN 0.460 nan 8.360 nan 0.000 0.450 476 T N -2.148 112.359 114.554 -0.078 0.000 3.065 476 T HA 0.316 4.669 4.350 0.005 0.000 0.252 476 T C 1.835 176.459 174.700 -0.126 0.000 1.099 476 T CA 0.403 62.460 62.100 -0.071 0.000 1.063 476 T CB 0.162 68.999 68.868 -0.052 0.000 0.948 476 T HN 0.197 nan 8.240 nan 0.000 0.506 477 A N 1.870 124.538 122.820 -0.253 0.000 1.930 477 A HA 0.200 4.522 4.320 0.005 0.000 0.217 477 A C 2.203 179.624 177.584 -0.272 0.000 1.175 477 A CA 0.877 52.623 52.037 -0.484 0.000 0.627 477 A CB -0.840 17.509 19.000 -1.085 0.000 0.815 477 A HN 0.513 nan 8.150 nan 0.000 0.443 478 L N -1.334 119.842 121.223 -0.078 0.000 2.376 478 L HA -0.056 4.287 4.340 0.005 0.000 0.219 478 L C 2.462 179.336 176.870 0.006 0.000 1.133 478 L CA 0.470 55.364 54.840 0.090 0.000 0.816 478 L CB -0.235 41.871 42.059 0.077 0.000 0.933 478 L HN 0.169 nan 8.230 nan 0.000 0.449 479 R N 0.311 120.805 120.500 -0.010 0.000 2.235 479 R HA -0.003 4.340 4.340 0.005 0.000 0.213 479 R C 1.175 177.476 176.300 0.001 0.000 1.059 479 R CA 0.115 56.225 56.100 0.017 0.000 0.997 479 R CB -0.670 29.647 30.300 0.027 0.000 0.884 479 R HN 0.249 nan 8.270 nan 0.000 0.462 480 S N 1.080 116.767 115.700 -0.023 0.000 2.575 480 S HA 0.028 4.500 4.470 0.005 0.000 0.295 480 S C -1.651 172.879 174.600 -0.116 0.000 1.267 480 S CA -1.106 57.083 58.200 -0.018 0.000 1.074 480 S CB 0.931 64.145 63.200 0.023 0.000 0.829 480 S HN -0.034 nan 8.310 nan 0.000 0.497 481 P HA -0.128 nan 4.420 nan 0.000 0.216 481 P C 1.625 178.760 177.300 -0.274 0.000 1.153 481 P CA 0.618 63.463 63.100 -0.426 0.000 0.858 481 P CB 0.005 31.677 31.700 -0.046 0.000 0.789 482 L N -0.613 120.601 121.223 -0.014 0.000 2.042 482 L HA -0.147 4.196 4.340 0.005 0.000 0.210 482 L C 2.149 179.085 176.870 0.110 0.000 1.076 482 L CA 1.834 56.756 54.840 0.137 0.000 0.749 482 L CB -1.132 41.085 42.059 0.263 0.000 0.893 482 L HN -0.184 nan 8.230 nan 0.000 0.432 483 V N -0.571 119.305 119.914 -0.064 0.000 2.295 483 V HA -0.290 3.833 4.120 0.005 0.000 0.246 483 V C 2.646 178.616 176.094 -0.206 0.000 1.049 483 V CA 1.774 63.866 62.300 -0.347 0.000 1.024 483 V CB -0.751 30.750 31.823 -0.535 0.000 0.648 483 V HN 0.510 nan 8.190 nan 0.000 0.447 484 Q N -0.332 119.329 119.800 -0.231 0.000 2.119 484 Q HA -0.104 4.238 4.340 0.005 0.000 0.201 484 Q C 2.419 178.383 176.000 -0.061 0.000 0.972 484 Q CA 1.318 57.012 55.803 -0.182 0.000 0.847 484 Q CB -0.756 27.786 28.738 -0.327 0.000 0.903 484 Q HN 0.572 nan 8.270 nan 0.000 0.433 485 V N 0.755 120.611 119.914 -0.096 0.000 2.278 485 V HA -0.291 3.832 4.120 0.005 0.000 0.251 485 V C 2.214 178.295 176.094 -0.023 0.000 1.062 485 V CA 2.028 64.339 62.300 0.019 0.000 1.038 485 V CB -0.415 31.403 31.823 -0.008 0.000 0.646 485 V HN 0.360 nan 8.190 nan 0.000 0.447 486 M N -2.179 117.385 119.600 -0.060 0.000 2.653 486 M HA 0.181 4.664 4.480 0.005 0.000 0.259 486 M C 1.996 178.252 176.300 -0.073 0.000 1.244 486 M CA 0.700 55.903 55.300 -0.161 0.000 1.163 486 M CB 0.256 32.875 32.600 0.032 0.000 1.309 486 M HN 0.235 nan 8.290 nan 0.000 0.509 487 I N 0.289 120.845 120.570 -0.023 0.000 2.142 487 I HA -0.321 3.852 4.170 0.005 0.000 0.240 487 I C 2.468 178.602 176.117 0.028 0.000 1.078 487 I CA 1.169 62.465 61.300 -0.007 0.000 1.343 487 I CB -0.430 37.562 38.000 -0.013 0.000 1.046 487 I HN 0.168 nan 8.210 nan 0.000 0.405 488 K N 0.921 121.372 120.400 0.085 0.000 2.103 488 K HA -0.110 4.213 4.320 0.005 0.000 0.207 488 K C 1.930 178.606 176.600 0.126 0.000 1.048 488 K CA 1.488 57.863 56.287 0.146 0.000 0.930 488 K CB -0.444 32.236 32.500 0.300 0.000 0.716 488 K HN 0.348 nan 8.250 nan 0.000 0.444 489 L N -0.342 120.924 121.223 0.072 0.000 2.610 489 L HA 0.009 4.352 4.340 0.005 0.000 0.232 489 L C 1.139 178.000 176.870 -0.016 0.000 1.149 489 L CA 0.585 55.433 54.840 0.013 0.000 0.872 489 L CB -0.352 41.606 42.059 -0.168 0.000 0.992 489 L HN 0.355 nan 8.230 nan 0.000 0.447 490 G N 0.240 109.036 108.800 -0.007 0.000 2.160 490 G HA2 -0.307 3.656 3.960 0.005 0.000 0.251 490 G HA3 -0.307 3.656 3.960 0.005 0.000 0.251 490 G C 0.744 175.629 174.900 -0.026 0.000 1.008 490 G CA 0.521 45.618 45.100 -0.005 0.000 0.724 490 G HN 0.417 nan 8.290 nan 0.000 0.514 491 I N -1.299 119.233 120.570 -0.062 0.000 2.500 491 I HA 0.205 4.378 4.170 0.005 0.000 0.252 491 I C 1.259 177.351 176.117 -0.043 0.000 1.142 491 I CA 0.946 62.206 61.300 -0.068 0.000 1.451 491 I CB 0.197 38.117 38.000 -0.134 0.000 1.093 491 I HN 0.191 nan 8.210 nan 0.000 0.430 492 V N 0.269 120.168 119.914 -0.025 0.000 3.049 492 V HA 0.354 4.477 4.120 0.005 0.000 0.309 492 V C -1.102 174.988 176.094 -0.008 0.000 1.148 492 V CA -0.832 61.465 62.300 -0.006 0.000 0.990 492 V CB 2.579 34.432 31.823 0.049 0.000 1.039 492 V HN 0.008 nan 8.190 nan 0.000 0.430 493 K N 2.392 122.787 120.400 -0.008 0.000 2.182 493 K HA 0.402 4.725 4.320 0.005 0.000 0.262 493 K C 0.763 177.349 176.600 -0.023 0.000 0.957 493 K CA -0.414 55.868 56.287 -0.009 0.000 0.842 493 K CB 1.822 34.322 32.500 -0.001 0.000 1.099 493 K HN 0.795 nan 8.250 nan 0.000 0.438 494 E N 2.294 122.480 120.200 -0.023 0.000 2.070 494 E HA -0.254 4.099 4.350 0.005 0.000 0.197 494 E C 1.310 177.896 176.600 -0.025 0.000 1.004 494 E CA 1.637 58.016 56.400 -0.035 0.000 0.805 494 E CB 0.290 29.981 29.700 -0.015 0.000 0.744 494 E HN 0.607 nan 8.360 nan 0.000 0.451 495 E N 0.243 120.439 120.200 -0.007 0.000 2.333 495 E HA -0.187 4.166 4.350 0.005 0.000 0.198 495 E C 0.751 177.352 176.600 0.002 0.000 1.007 495 E CA 0.890 57.292 56.400 0.003 0.000 0.845 495 E CB -0.214 29.491 29.700 0.009 0.000 0.766 495 E HN 0.250 nan 8.360 nan 0.000 0.507 496 N N 0.513 119.207 118.700 -0.009 0.000 2.184 496 N HA 0.100 4.842 4.740 0.005 0.000 0.206 496 N C -0.224 175.263 175.510 -0.037 0.000 1.151 496 N CA -0.122 52.924 53.050 -0.006 0.000 0.878 496 N CB 0.968 39.459 38.487 0.007 0.000 1.014 496 N HN -0.064 nan 8.380 nan 0.000 0.512 497 V N 2.062 121.921 119.914 -0.091 0.000 2.694 497 V HA -0.000 4.123 4.120 0.005 0.000 0.306 497 V C 0.439 176.376 176.094 -0.263 0.000 1.054 497 V CA 0.267 62.438 62.300 -0.215 0.000 1.161 497 V CB 0.289 31.854 31.823 -0.430 0.000 0.916 497 V HN 0.105 nan 8.190 nan 0.000 0.490 498 L N 5.501 126.568 121.223 -0.261 0.000 2.334 498 L HA 0.634 4.976 4.340 0.005 0.000 0.276 498 L C -0.760 175.878 176.870 -0.386 0.000 1.014 498 L CA -0.296 54.406 54.840 -0.230 0.000 0.815 498 L CB 1.618 43.578 42.059 -0.166 0.000 1.268 498 L HN 0.422 nan 8.230 nan 0.000 0.428 499 F N -0.278 119.701 119.950 0.049 0.000 2.522 499 F HA 0.235 4.765 4.527 0.005 0.000 0.324 499 F C 0.425 176.270 175.800 0.075 0.000 1.077 499 F CA -0.751 57.259 58.000 0.015 0.000 0.944 499 F CB 1.277 40.252 39.000 -0.042 0.000 1.175 499 F HN 0.587 nan 8.300 nan 0.000 0.468 500 W N 2.197 123.616 121.300 0.199 0.000 2.421 500 W HA 0.154 4.817 4.660 0.005 0.000 0.270 500 W C 1.254 177.828 176.519 0.091 0.000 1.233 500 W CA 0.110 57.503 57.345 0.079 0.000 1.226 500 W CB -1.759 27.698 29.460 -0.005 0.000 1.121 500 W HN 0.776 nan 8.180 nan 0.000 0.579 501 A N 1.407 124.517 122.820 0.484 0.000 5.222 501 A HA -0.470 3.853 4.320 0.005 0.000 0.408 501 A C 1.445 179.181 177.584 0.254 0.000 1.507 501 A CA 3.893 56.120 52.037 0.318 0.000 0.959 501 A CB -1.770 17.372 19.000 0.237 0.000 1.542 501 A HN 0.633 nan 8.150 nan 0.000 0.478 502 D N -4.718 115.788 120.400 0.178 0.000 1.798 502 D HA -0.105 4.538 4.640 0.005 0.000 0.257 502 D C 0.093 176.482 176.300 0.149 0.000 0.691 502 D CA 0.878 54.977 54.000 0.166 0.000 1.306 502 D CB -1.266 39.662 40.800 0.214 0.000 1.429 502 D HN 0.753 nan 8.370 nan 0.000 0.772 503 L N 2.342 123.657 121.223 0.154 0.000 2.499 503 L HA 0.280 4.623 4.340 0.005 0.000 0.281 503 L C -1.858 175.077 176.870 0.109 0.000 1.234 503 L CA -1.035 53.879 54.840 0.123 0.000 0.839 503 L CB -0.167 41.940 42.059 0.080 0.000 1.104 503 L HN 0.107 nan 8.230 nan 0.000 0.500 504 P HA -0.006 nan 4.420 nan 0.000 0.269 504 P C -0.910 176.420 177.300 0.050 0.000 1.209 504 P CA -0.234 62.905 63.100 0.066 0.000 0.776 504 P CB 0.362 32.093 31.700 0.052 0.000 0.876 505 N N 1.847 120.567 118.700 0.034 0.000 2.415 505 N HA 0.041 4.784 4.740 0.005 0.000 0.246 505 N C -0.129 175.385 175.510 0.007 0.000 1.078 505 N CA -0.152 52.908 53.050 0.017 0.000 0.942 505 N CB -0.438 38.057 38.487 0.015 0.000 1.140 505 N HN 0.249 nan 8.380 nan 0.000 0.501 506 c N 2.665 121.268 118.600 0.004 0.000 2.693 506 c HA 0.083 4.655 4.570 0.005 0.000 0.286 506 c C 1.977 176.060 174.090 -0.011 0.000 1.277 506 c CA -0.489 55.841 56.329 0.003 0.000 1.705 506 c CB -1.428 41.093 42.510 0.018 0.000 1.879 506 c HN 0.804 nan 8.230 nan 0.000 0.607 507 E N 1.836 122.023 120.200 -0.021 0.000 2.153 507 E HA -0.217 4.136 4.350 0.005 0.000 0.194 507 E C 1.694 178.274 176.600 -0.034 0.000 0.988 507 E CA 2.005 58.383 56.400 -0.036 0.000 0.811 507 E CB -0.581 29.092 29.700 -0.044 0.000 0.746 507 E HN 0.639 nan 8.360 nan 0.000 0.466 508 T N -3.418 111.122 114.554 -0.024 0.000 3.118 508 T HA 0.277 4.630 4.350 0.005 0.000 0.260 508 T C 1.564 176.251 174.700 -0.022 0.000 1.139 508 T CA 0.686 62.772 62.100 -0.023 0.000 1.085 508 T CB 0.259 69.117 68.868 -0.018 0.000 0.934 508 T HN 0.501 nan 8.240 nan 0.000 0.518 509 G N 0.191 108.980 108.800 -0.019 0.000 2.232 509 G HA2 -0.199 3.763 3.960 0.005 0.000 0.226 509 G HA3 -0.199 3.763 3.960 0.005 0.000 0.226 509 G C -0.012 174.878 174.900 -0.017 0.000 0.996 509 G CA -0.151 44.940 45.100 -0.016 0.000 0.626 509 G HN 0.764 nan 8.290 nan 0.000 0.509 510 V N 1.092 120.995 119.914 -0.018 0.000 2.513 510 V HA 0.515 4.638 4.120 0.005 0.000 0.299 510 V C 0.675 176.760 176.094 -0.015 0.000 1.035 510 V CA -0.735 61.553 62.300 -0.021 0.000 0.889 510 V CB 1.756 33.566 31.823 -0.022 0.000 0.988 510 V HN 0.405 nan 8.190 nan 0.000 0.440 511 c N 6.224 124.814 118.600 -0.017 0.000 2.416 511 c HA 0.467 5.040 4.570 0.005 0.000 0.355 511 c C 0.455 174.542 174.090 -0.006 0.000 1.211 511 c CA -0.501 55.824 56.329 -0.006 0.000 1.699 511 c CB -1.706 40.802 42.510 -0.004 0.000 2.310 511 c HN 0.614 nan 8.230 nan 0.000 0.539 512 I N 3.661 124.232 120.570 0.001 0.000 2.336 512 I HA 0.394 4.566 4.170 0.005 0.000 0.292 512 I C 0.948 177.073 176.117 0.013 0.000 0.991 512 I CA -0.008 61.294 61.300 0.003 0.000 1.227 512 I CB 1.036 39.038 38.000 0.002 0.000 1.366 512 I HN 0.704 nan 8.210 nan 0.000 0.466 513 A N 6.190 129.017 122.820 0.011 0.000 2.448 513 A HA 0.387 4.710 4.320 0.005 0.000 0.239 513 A C 0.395 177.996 177.584 0.028 0.000 1.080 513 A CA -0.368 51.682 52.037 0.021 0.000 0.779 513 A CB 0.274 19.282 19.000 0.014 0.000 1.026 513 A HN 0.649 nan 8.150 nan 0.000 0.499 514 V N 0.000 119.938 119.914 0.040 0.000 2.409 514 V HA 0.000 4.123 4.120 0.005 0.000 0.244 514 V CA 0.000 62.326 62.300 0.044 0.000 1.235 514 V CB 0.000 31.860 31.823 0.062 0.000 1.184 514 V HN 0.000 nan 8.190 nan 0.000 0.556