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 2uxv_1_A DATA FIRST_RESID 30 DATA SEQUENCE QQQPLPVPPL LESRRGQPLF MTVQRAHWSF TPGTRASVWG INGRYLGPTI DATA SEQUENCE RVWKGDDVKL IYSNRLTENV SMTVAGLQVP GPLMGGPARM MSPNADWAPV DATA SEQUENCE LPIRQNAATL WYHANTPNRT AQQVYNGLAG MWLVEDEVSK SLPIPNHYGV DATA SEQUENCE DDFPVIIQDK RLDNFGTPEY NEPGSGGFVG DTLLVNGVQS PYVEVSRGWV DATA SEQUENCE RLRLLNASNS RRYQLQMNDG RPLHVISGDQ GFLPAPVSVK QLSLAPGERR DATA SEQUENCE EILVDMSNGD EVSITCXXXX XXXXXXXXXX XXXXILVSTL VLTLRPTGLL DATA SEQUENCE PLVTDSLPMR LLPTEIMAGS PIRSRDISLG DDPGINGQLW DVNRIDVTAQ DATA SEQUENCE QGTWERWTVR ADEPQAFHIE GVMFQIRNVN GAMPFPEDRG WKDTVWVDGQ DATA SEQUENCE VELLVYFGQP SWAHFPFYFN SQTLEMADRG SIGQLLVNPV 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 30 Q HA 0.000 nan 4.340 nan 0.000 0.214 30 Q C 0.000 176.014 176.000 0.023 0.000 1.003 30 Q CA 0.000 55.799 55.803 -0.007 0.000 1.022 30 Q CB 0.000 28.730 28.738 -0.013 0.000 1.108 31 Q N 2.197 122.018 119.800 0.035 0.000 2.368 31 Q HA 0.349 5.562 4.340 1.454 0.000 0.237 31 Q C -0.556 175.575 176.000 0.218 0.000 0.987 31 Q CA -0.599 55.270 55.803 0.111 0.000 0.896 31 Q CB 1.162 29.981 28.738 0.134 0.000 1.241 31 Q HN 0.434 nan 8.270 nan 0.000 0.485 32 Q N 0.503 120.417 119.800 0.189 0.000 2.205 32 Q HA 0.467 5.680 4.340 1.454 0.000 0.249 32 Q C -2.335 173.650 176.000 -0.025 0.000 0.948 32 Q CA -2.163 53.723 55.803 0.139 0.000 0.895 32 Q CB 0.940 29.695 28.738 0.028 0.000 1.249 32 Q HN 0.517 nan 8.270 nan 0.000 0.458 33 P HA 0.105 nan 4.420 nan 0.000 0.274 33 P C -0.537 176.540 177.300 -0.371 0.000 1.231 33 P CA -0.575 62.088 63.100 -0.728 0.000 0.790 33 P CB 0.407 31.835 31.700 -0.454 0.000 0.951 34 L N 4.643 125.634 121.223 -0.386 0.000 2.410 34 L HA 0.351 5.563 4.340 1.454 0.000 0.273 34 L C -2.309 174.515 176.870 -0.076 0.000 1.144 34 L CA -1.534 53.200 54.840 -0.176 0.000 0.863 34 L CB -0.200 41.742 42.059 -0.194 0.000 1.140 34 L HN 0.265 nan 8.230 nan 0.000 0.463 35 P HA 0.198 nan 4.420 nan 0.000 0.281 35 P C -1.296 176.081 177.300 0.127 0.000 1.252 35 P CA -0.239 62.922 63.100 0.102 0.000 0.778 35 P CB 1.225 33.073 31.700 0.245 0.000 0.895 36 V N 6.248 126.234 119.914 0.120 0.000 2.313 36 V HA 0.265 5.258 4.120 1.454 0.000 0.278 36 V C -2.041 174.162 176.094 0.181 0.000 1.017 36 V CA -1.905 60.467 62.300 0.120 0.000 0.823 36 V CB 0.904 32.751 31.823 0.041 0.000 1.010 36 V HN 0.534 nan 8.190 nan 0.000 0.443 37 P HA 0.116 nan 4.420 nan 0.000 0.264 37 P C -2.392 175.066 177.300 0.263 0.000 1.183 37 P CA -0.774 62.459 63.100 0.221 0.000 0.763 37 P CB -0.242 31.574 31.700 0.194 0.000 0.807 38 P HA -0.036 nan 4.420 nan 0.000 0.266 38 P C -0.552 176.784 177.300 0.061 0.000 1.193 38 P CA -0.085 63.103 63.100 0.146 0.000 0.770 38 P CB 0.484 32.242 31.700 0.097 0.000 0.836 39 L N 4.120 125.327 121.223 -0.027 0.000 2.290 39 L HA 0.302 5.515 4.340 1.454 0.000 0.284 39 L C -0.335 176.437 176.870 -0.164 0.000 1.078 39 L CA -0.350 54.328 54.840 -0.271 0.000 0.815 39 L CB 0.150 41.939 42.059 -0.449 0.000 1.162 39 L HN 0.224 nan 8.230 nan 0.000 0.435 40 L N 5.871 126.979 121.223 -0.192 0.000 2.445 40 L HA 0.417 5.630 4.340 1.454 0.000 0.252 40 L C -0.061 176.677 176.870 -0.219 0.000 1.105 40 L CA -0.197 54.547 54.840 -0.159 0.000 0.943 40 L CB 0.386 42.363 42.059 -0.135 0.000 1.277 40 L HN 0.761 nan 8.230 nan 0.000 0.465 41 E N 0.565 120.657 120.200 -0.180 0.000 2.342 41 E HA 0.285 5.508 4.350 1.454 0.000 0.257 41 E C 0.425 176.941 176.600 -0.140 0.000 1.150 41 E CA 0.191 56.487 56.400 -0.174 0.000 0.926 41 E CB 0.671 30.330 29.700 -0.068 0.000 1.074 41 E HN 0.509 nan 8.360 nan 0.000 0.449 42 S N 1.403 117.033 115.700 -0.115 0.000 2.309 42 S HA -0.066 5.277 4.470 1.454 0.000 0.206 42 S C 1.245 175.820 174.600 -0.042 0.000 1.028 42 S CA 0.079 58.219 58.200 -0.099 0.000 0.972 42 S CB -0.256 62.908 63.200 -0.061 0.000 0.961 42 S HN 0.366 nan 8.310 nan 0.000 0.449 43 R N 3.276 123.793 120.500 0.028 0.000 3.853 43 R HA 0.101 5.313 4.340 1.454 0.000 0.169 43 R C 1.100 177.386 176.300 -0.023 0.000 1.823 43 R CA 0.578 56.677 56.100 -0.002 0.000 1.283 43 R CB -1.056 29.231 30.300 -0.021 0.000 1.323 43 R HN 0.871 nan 8.270 nan 0.000 0.741 44 R N -2.336 118.145 120.500 -0.032 0.000 1.961 44 R HA -0.007 5.206 4.340 1.454 0.000 0.056 44 R C 0.856 177.138 176.300 -0.029 0.000 0.825 44 R CA 0.453 56.534 56.100 -0.032 0.000 3.086 44 R CB -0.453 29.832 30.300 -0.025 0.000 1.119 44 R HN 0.230 nan 8.270 nan 0.000 0.539 45 G N 0.779 109.558 108.800 -0.035 0.000 2.964 45 G HA2 0.220 5.053 3.960 1.454 0.000 0.191 45 G HA3 0.220 5.053 3.960 1.454 0.000 0.191 45 G C 0.317 175.194 174.900 -0.038 0.000 1.978 45 G CA 1.056 46.143 45.100 -0.021 0.000 0.861 45 G HN 0.255 nan 8.290 nan 0.000 0.584 46 Q N -1.217 118.543 119.800 -0.067 0.000 2.288 46 Q HA 0.032 5.245 4.340 1.454 0.000 0.203 46 Q C -2.794 173.095 176.000 -0.185 0.000 0.665 46 Q CA -0.152 55.583 55.803 -0.114 0.000 1.530 46 Q CB -0.844 27.842 28.738 -0.086 0.000 0.802 46 Q HN 0.457 nan 8.270 nan 0.000 1.092 47 P HA 0.579 nan 4.420 nan 0.000 0.294 47 P C -1.294 175.643 177.300 -0.605 0.000 1.323 47 P CA -0.556 62.218 63.100 -0.544 0.000 1.015 47 P CB 1.371 32.561 31.700 -0.850 0.000 1.392 48 L N 1.774 122.619 121.223 -0.629 0.000 2.316 48 L HA 0.450 5.663 4.340 1.454 0.000 0.280 48 L C -0.767 175.772 176.870 -0.552 0.000 1.006 48 L CA -0.507 54.055 54.840 -0.462 0.000 0.836 48 L CB 0.477 42.300 42.059 -0.393 0.000 1.221 48 L HN 0.307 nan 8.230 nan 0.000 0.418 49 F N 4.391 124.229 119.950 -0.187 0.000 2.375 49 F HA 0.334 5.736 4.527 1.459 0.000 0.362 49 F C 0.455 176.152 175.800 -0.171 0.000 1.129 49 F CA -0.409 57.490 58.000 -0.167 0.000 1.154 49 F CB 0.811 39.749 39.000 -0.103 0.000 1.205 49 F HN 0.302 nan 8.300 nan 0.000 0.513 50 M N 3.693 123.232 119.600 -0.101 0.000 2.103 50 M HA 0.215 5.567 4.480 1.454 0.000 0.350 50 M C -0.433 175.922 176.300 0.091 0.000 1.100 50 M CA -0.153 55.098 55.300 -0.081 0.000 1.042 50 M CB 0.711 33.095 32.600 -0.361 0.000 1.368 50 M HN 0.342 nan 8.290 nan 0.000 0.404 51 T N 2.900 117.509 114.554 0.091 0.000 2.781 51 T HA 0.406 5.629 4.350 1.454 0.000 0.305 51 T C 0.490 175.227 174.700 0.062 0.000 1.001 51 T CA -0.406 61.744 62.100 0.083 0.000 0.950 51 T CB 0.893 69.791 68.868 0.050 0.000 0.955 51 T HN 0.330 nan 8.240 nan 0.000 0.471 52 V N 5.972 125.918 119.914 0.053 0.000 2.521 52 V HA 0.299 5.292 4.120 1.454 0.000 0.286 52 V C 0.361 176.397 176.094 -0.097 0.000 1.034 52 V CA 0.129 62.415 62.300 -0.024 0.000 1.045 52 V CB 0.030 31.810 31.823 -0.071 0.000 0.974 52 V HN 0.975 nan 8.190 nan 0.000 0.480 53 Q N 4.117 123.843 119.800 -0.123 0.000 2.738 53 Q HA 0.580 5.793 4.340 1.454 0.000 0.301 53 Q C -0.674 175.250 176.000 -0.127 0.000 0.901 53 Q CA -1.142 54.580 55.803 -0.135 0.000 0.756 53 Q CB 1.732 30.445 28.738 -0.042 0.000 1.463 53 Q HN 0.444 nan 8.270 nan 0.000 0.432 54 R N -0.639 119.816 120.500 -0.075 0.000 2.828 54 R HA 0.623 5.835 4.340 1.454 0.000 0.270 54 R C -0.061 176.282 176.300 0.072 0.000 1.244 54 R CA 0.741 56.867 56.100 0.042 0.000 1.143 54 R CB 0.557 30.881 30.300 0.041 0.000 1.128 54 R HN 0.751 nan 8.270 nan 0.000 0.587 55 A N -0.763 122.088 122.820 0.052 0.000 3.044 55 A HA 0.321 5.514 4.320 1.454 0.000 0.200 55 A C -0.943 176.718 177.584 0.129 0.000 1.557 55 A CA -0.082 52.017 52.037 0.103 0.000 1.647 55 A CB 0.035 19.121 19.000 0.144 0.000 1.580 55 A HN 0.825 nan 8.150 nan 0.000 0.503 56 H N -1.370 117.839 119.070 0.232 0.000 3.195 56 H HA -0.110 5.319 4.556 1.456 0.000 0.330 56 H C -1.038 174.422 175.328 0.220 0.000 1.015 56 H CA 1.177 57.337 56.048 0.187 0.000 1.043 56 H CB -1.282 28.552 29.762 0.120 0.000 1.581 56 H HN 0.610 nan 8.280 nan 0.000 0.365 57 W N 1.815 123.155 121.300 0.067 0.000 2.882 57 W HA 0.488 6.022 4.660 1.457 0.000 0.345 57 W C -0.701 175.714 176.519 -0.174 0.000 1.125 57 W CA -0.644 56.621 57.345 -0.133 0.000 1.167 57 W CB 2.254 31.474 29.460 -0.399 0.000 1.431 57 W HN 0.254 nan 8.180 nan 0.000 0.543 58 S N 3.523 118.792 115.700 -0.719 0.000 2.532 58 S HA 0.222 5.565 4.470 1.454 0.000 0.318 58 S C 0.312 174.706 174.600 -0.342 0.000 1.083 58 S CA -0.575 57.392 58.200 -0.389 0.000 1.131 58 S CB 0.116 63.101 63.200 -0.357 0.000 0.973 58 S HN 0.377 nan 8.310 nan 0.000 0.468 59 F N 2.184 122.175 119.950 0.067 0.000 2.661 59 F HA 0.119 5.518 4.527 1.453 0.000 0.298 59 F C 1.364 177.195 175.800 0.051 0.000 1.137 59 F CA 0.487 58.556 58.000 0.115 0.000 1.454 59 F CB 0.367 39.410 39.000 0.072 0.000 1.103 59 F HN 0.329 nan 8.300 nan 0.000 0.577 60 T N -1.266 113.384 114.554 0.159 0.000 2.853 60 T HA 0.283 5.506 4.350 1.454 0.000 0.311 60 T C -2.806 171.917 174.700 0.037 0.000 1.307 60 T CA -1.453 60.706 62.100 0.099 0.000 1.019 60 T CB 2.190 71.132 68.868 0.124 0.000 1.264 60 T HN -0.470 nan 8.240 nan 0.000 0.497 61 P HA 0.326 nan 4.420 nan 0.000 0.268 61 P C 0.942 178.249 177.300 0.011 0.000 1.204 61 P CA 0.941 64.041 63.100 0.001 0.000 0.768 61 P CB 0.278 31.983 31.700 0.008 0.000 0.842 62 G N 1.431 110.226 108.800 -0.009 0.000 2.153 62 G HA2 -0.188 4.645 3.960 1.454 0.000 0.252 62 G HA3 -0.188 4.645 3.960 1.454 0.000 0.252 62 G C 0.221 175.120 174.900 -0.000 0.000 0.994 62 G CA 0.460 45.555 45.100 -0.009 0.000 0.698 62 G HN 0.850 nan 8.290 nan 0.000 0.521 63 T N -3.338 111.223 114.554 0.012 0.000 2.901 63 T HA 0.799 6.022 4.350 1.454 0.000 0.293 63 T C -0.640 174.081 174.700 0.035 0.000 1.084 63 T CA -0.346 61.780 62.100 0.043 0.000 1.008 63 T CB 2.942 71.877 68.868 0.111 0.000 1.170 63 T HN 0.903 nan 8.240 nan 0.000 0.509 64 R N 0.387 120.929 120.500 0.071 0.000 2.536 64 R HA 0.668 5.881 4.340 1.454 0.000 0.269 64 R C -1.878 174.536 176.300 0.190 0.000 1.113 64 R CA -0.580 55.580 56.100 0.099 0.000 0.948 64 R CB 1.687 32.007 30.300 0.034 0.000 1.237 64 R HN 1.107 nan 8.270 nan 0.000 0.441 65 A N 2.072 125.057 122.820 0.276 0.000 2.413 65 A HA 0.642 5.834 4.320 1.454 0.000 0.307 65 A C -0.977 176.806 177.584 0.333 0.000 1.087 65 A CA -0.725 51.495 52.037 0.306 0.000 0.750 65 A CB 2.026 21.231 19.000 0.342 0.000 1.296 65 A HN 0.619 nan 8.150 nan 0.000 0.423 66 S N 0.775 116.624 115.700 0.248 0.000 2.439 66 S HA 0.478 5.821 4.470 1.454 0.000 0.282 66 S C 0.534 175.233 174.600 0.164 0.000 1.170 66 S CA -0.195 58.074 58.200 0.115 0.000 1.054 66 S CB 0.411 63.632 63.200 0.034 0.000 0.956 66 S HN 1.363 nan 8.310 nan 0.000 0.490 67 V N 0.485 120.537 119.914 0.230 0.000 3.707 67 V HA 0.793 5.786 4.120 1.454 0.000 0.293 67 V C -1.341 175.050 176.094 0.494 0.000 1.307 67 V CA -0.884 61.588 62.300 0.286 0.000 0.971 67 V CB 0.761 32.803 31.823 0.364 0.000 1.263 67 V HN 0.724 nan 8.190 nan 0.000 0.473 68 W N -1.263 120.137 121.300 0.166 0.000 2.950 68 W HA 0.913 6.448 4.660 1.459 0.000 0.340 68 W C 0.239 176.791 176.519 0.055 0.000 1.139 68 W CA -0.073 57.326 57.345 0.089 0.000 1.188 68 W CB 1.688 31.184 29.460 0.059 0.000 1.426 68 W HN 1.193 nan 8.180 nan 0.000 0.531 69 G N 0.482 109.401 108.800 0.199 0.000 2.435 69 G HA2 0.568 5.400 3.960 1.454 0.000 0.296 69 G HA3 0.568 5.400 3.960 1.454 0.000 0.296 69 G C -2.175 172.771 174.900 0.077 0.000 1.240 69 G CA -0.850 44.301 45.100 0.084 0.000 0.872 69 G HN 0.258 nan 8.290 nan 0.000 0.480 70 I N 0.903 121.529 120.570 0.093 0.000 2.478 70 I HA 0.382 5.424 4.170 1.454 0.000 0.287 70 I C -0.582 175.590 176.117 0.092 0.000 1.042 70 I CA -0.670 60.693 61.300 0.105 0.000 1.067 70 I CB 2.029 40.127 38.000 0.164 0.000 1.233 70 I HN 0.465 nan 8.210 nan 0.000 0.431 71 N N 4.514 123.259 118.700 0.074 0.000 2.783 71 N HA -0.155 5.458 4.740 1.454 0.000 0.247 71 N C 0.685 176.246 175.510 0.086 0.000 1.089 71 N CA 1.283 54.375 53.050 0.069 0.000 0.690 71 N CB -1.361 37.166 38.487 0.067 0.000 0.991 71 N HN 1.184 nan 8.380 nan 0.000 0.552 72 G N -1.130 107.726 108.800 0.092 0.000 2.160 72 G HA2 -0.367 4.465 3.960 1.454 0.000 0.251 72 G HA3 -0.367 4.465 3.960 1.454 0.000 0.251 72 G C 0.155 175.164 174.900 0.181 0.000 1.008 72 G CA 0.787 45.961 45.100 0.122 0.000 0.724 72 G HN 0.653 nan 8.290 nan 0.000 0.514 73 R N -1.613 118.990 120.500 0.172 0.000 2.919 73 R HA 0.580 5.793 4.340 1.454 0.000 0.260 73 R C -0.574 175.789 176.300 0.105 0.000 1.067 73 R CA -1.050 55.182 56.100 0.220 0.000 1.003 73 R CB 1.144 31.545 30.300 0.167 0.000 1.192 73 R HN 0.170 nan 8.270 nan 0.000 0.488 74 Y N 2.453 122.567 120.300 -0.311 0.000 2.319 74 Y HA 0.263 5.687 4.550 1.457 0.000 0.328 74 Y C 0.640 176.261 175.900 -0.464 0.000 1.133 74 Y CA 0.225 57.946 58.100 -0.632 0.000 1.265 74 Y CB 0.076 37.462 38.460 -1.790 0.000 1.218 74 Y HN 0.677 nan 8.280 nan 0.000 0.508 75 L N 2.734 123.444 121.223 -0.856 0.000 7.312 75 L HA -0.267 4.945 4.340 1.454 0.000 0.053 75 L C 0.521 177.286 176.870 -0.174 0.000 1.661 75 L CA 1.120 55.619 54.840 -0.569 0.000 1.520 75 L CB -1.755 39.932 42.059 -0.619 0.000 2.860 75 L HN 0.940 nan 8.230 nan 0.000 1.142 76 G N -1.473 107.295 108.800 -0.053 0.000 2.749 76 G HA2 0.724 5.557 3.960 1.454 0.000 0.300 76 G HA3 0.724 5.557 3.960 1.454 0.000 0.300 76 G C -3.125 171.870 174.900 0.158 0.000 1.352 76 G CA -0.272 44.913 45.100 0.142 0.000 0.789 76 G HN 0.411 nan 8.290 nan 0.000 0.509 77 P HA 0.329 nan 4.420 nan 0.000 0.284 77 P C -0.423 176.976 177.300 0.165 0.000 1.258 77 P CA -0.103 63.081 63.100 0.141 0.000 0.824 77 P CB 1.354 33.099 31.700 0.076 0.000 1.038 78 T N 3.024 117.630 114.554 0.086 0.000 2.779 78 T HA 0.288 5.510 4.350 1.454 0.000 0.296 78 T C 0.706 175.328 174.700 -0.131 0.000 0.938 78 T CA 0.118 62.235 62.100 0.028 0.000 1.119 78 T CB -0.361 68.495 68.868 -0.021 0.000 0.891 78 T HN 0.214 nan 8.240 nan 0.000 0.526 79 I N 3.380 123.869 120.570 -0.135 0.000 2.396 79 I HA 0.427 5.470 4.170 1.454 0.000 0.292 79 I C 0.603 176.373 176.117 -0.579 0.000 0.999 79 I CA -0.504 60.537 61.300 -0.431 0.000 1.310 79 I CB 1.076 38.657 38.000 -0.699 0.000 1.404 79 I HN 0.382 nan 8.210 nan 0.000 0.496 80 R N 6.075 126.246 120.500 -0.549 0.000 2.476 80 R HA 0.685 5.898 4.340 1.454 0.000 0.305 80 R C -1.345 174.661 176.300 -0.490 0.000 0.965 80 R CA -0.536 55.248 56.100 -0.526 0.000 0.867 80 R CB 1.607 31.660 30.300 -0.411 0.000 1.176 80 R HN 0.523 nan 8.270 nan 0.000 0.447 81 V N 0.550 120.144 119.914 -0.533 0.000 3.126 81 V HA 0.789 5.781 4.120 1.454 0.000 0.314 81 V C -1.485 174.384 176.094 -0.373 0.000 1.138 81 V CA -1.098 61.019 62.300 -0.305 0.000 1.034 81 V CB 1.811 33.516 31.823 -0.196 0.000 1.075 81 V HN 0.759 nan 8.190 nan 0.000 0.442 82 W N 0.390 121.656 121.300 -0.058 0.000 2.736 82 W HA 0.634 6.165 4.660 1.452 0.000 0.335 82 W C 0.141 176.660 176.519 0.001 0.000 1.059 82 W CA -0.651 56.679 57.345 -0.025 0.000 1.226 82 W CB 1.743 31.182 29.460 -0.034 0.000 1.416 82 W HN 0.746 nan 8.180 nan 0.000 0.505 83 K N 1.345 121.888 120.400 0.238 0.000 2.511 83 K HA 0.258 5.450 4.320 1.454 0.000 0.280 83 K C 1.136 177.823 176.600 0.146 0.000 1.008 83 K CA 1.820 58.200 56.287 0.155 0.000 1.050 83 K CB 0.052 32.636 32.500 0.138 0.000 0.889 83 K HN 0.866 nan 8.250 nan 0.000 0.484 84 G N 2.882 111.740 108.800 0.097 0.000 2.175 84 G HA2 -0.214 4.619 3.960 1.454 0.000 0.244 84 G HA3 -0.214 4.619 3.960 1.454 0.000 0.244 84 G C -0.200 174.737 174.900 0.062 0.000 0.982 84 G CA 0.185 45.327 45.100 0.069 0.000 0.641 84 G HN 0.701 nan 8.290 nan 0.000 0.527 85 D N 0.943 121.395 120.400 0.086 0.000 2.344 85 D HA 0.490 6.003 4.640 1.454 0.000 0.244 85 D C -0.217 176.106 176.300 0.038 0.000 1.134 85 D CA -0.028 54.011 54.000 0.066 0.000 0.930 85 D CB 0.740 41.601 40.800 0.101 0.000 1.175 85 D HN 0.111 nan 8.370 nan 0.000 0.437 86 D N 1.135 121.541 120.400 0.011 0.000 2.441 86 D HA 0.162 5.675 4.640 1.454 0.000 0.287 86 D C -0.549 175.732 176.300 -0.033 0.000 1.198 86 D CA -0.334 53.661 54.000 -0.008 0.000 0.894 86 D CB 0.994 41.784 40.800 -0.016 0.000 1.070 86 D HN -0.012 nan 8.370 nan 0.000 0.499 87 V N 1.842 121.739 119.914 -0.029 0.000 2.637 87 V HA 0.027 5.019 4.120 1.454 0.000 0.296 87 V C 0.640 176.661 176.094 -0.121 0.000 1.046 87 V CA -0.099 62.159 62.300 -0.070 0.000 1.066 87 V CB 1.223 33.014 31.823 -0.053 0.000 0.968 87 V HN 0.216 nan 8.190 nan 0.000 0.483 88 K N 4.823 125.118 120.400 -0.176 0.000 2.292 88 K HA 0.488 5.681 4.320 1.454 0.000 0.270 88 K C -1.267 175.134 176.600 -0.332 0.000 1.062 88 K CA -0.246 55.898 56.287 -0.237 0.000 0.916 88 K CB 0.686 33.050 32.500 -0.226 0.000 1.166 88 K HN 0.475 nan 8.250 nan 0.000 0.458 89 L N 5.929 126.934 121.223 -0.365 0.000 2.295 89 L HA 0.541 5.754 4.340 1.454 0.000 0.285 89 L C -0.901 175.651 176.870 -0.530 0.000 1.035 89 L CA -0.346 54.205 54.840 -0.482 0.000 0.806 89 L CB 1.091 42.871 42.059 -0.465 0.000 1.214 89 L HN 0.689 nan 8.230 nan 0.000 0.426 90 I N 5.367 125.606 120.570 -0.551 0.000 2.437 90 I HA 0.237 5.279 4.170 1.454 0.000 0.279 90 I C -1.084 174.886 176.117 -0.246 0.000 1.028 90 I CA -0.502 60.588 61.300 -0.350 0.000 1.142 90 I CB 0.600 38.425 38.000 -0.291 0.000 1.266 90 I HN 0.470 nan 8.210 nan 0.000 0.461 91 Y N 3.932 124.205 120.300 -0.044 0.000 2.313 91 Y HA 0.326 5.731 4.550 1.424 0.000 0.332 91 Y C 0.772 176.723 175.900 0.085 0.000 1.071 91 Y CA -0.007 58.121 58.100 0.047 0.000 1.169 91 Y CB 1.664 40.208 38.460 0.140 0.000 1.192 91 Y HN 0.445 nan 8.280 nan 0.000 0.487 92 S N 3.663 119.506 115.700 0.239 0.000 2.605 92 S HA 0.259 5.601 4.470 1.454 0.000 0.308 92 S C -1.130 173.529 174.600 0.098 0.000 1.113 92 S CA -0.908 57.381 58.200 0.148 0.000 1.049 92 S CB 0.383 63.649 63.200 0.108 0.000 1.001 92 S HN 0.682 nan 8.310 nan 0.000 0.480 93 N N 3.577 122.314 118.700 0.061 0.000 2.439 93 N HA 0.282 5.895 4.740 1.454 0.000 0.243 93 N C 0.311 175.800 175.510 -0.035 0.000 1.088 93 N CA -0.383 52.663 53.050 -0.006 0.000 0.940 93 N CB 0.397 38.870 38.487 -0.023 0.000 1.180 93 N HN 0.527 nan 8.380 nan 0.000 0.505 94 R N 3.142 123.602 120.500 -0.066 0.000 2.552 94 R HA 0.266 5.478 4.340 1.454 0.000 0.314 94 R C 0.206 176.423 176.300 -0.137 0.000 1.041 94 R CA -0.281 55.776 56.100 -0.073 0.000 1.076 94 R CB -0.005 30.265 30.300 -0.051 0.000 1.290 94 R HN 0.469 nan 8.270 nan 0.000 0.563 95 L N 0.704 121.802 121.223 -0.208 0.000 2.488 95 L HA 0.222 5.434 4.340 1.454 0.000 0.249 95 L C 1.240 178.004 176.870 -0.177 0.000 1.151 95 L CA -0.034 54.603 54.840 -0.338 0.000 0.806 95 L CB 1.128 42.824 42.059 -0.605 0.000 1.261 95 L HN 0.078 nan 8.230 nan 0.000 0.484 96 T N -2.598 111.879 114.554 -0.129 0.000 3.244 96 T HA 0.256 5.478 4.350 1.454 0.000 0.254 96 T C -0.094 174.629 174.700 0.037 0.000 1.024 96 T CA -0.428 61.676 62.100 0.006 0.000 0.920 96 T CB -0.365 68.558 68.868 0.093 0.000 1.042 96 T HN 0.718 nan 8.240 nan 0.000 0.572 97 E N -0.357 119.836 120.200 -0.011 0.000 2.435 97 E HA 0.282 5.505 4.350 1.454 0.000 0.277 97 E C -1.570 175.021 176.600 -0.016 0.000 1.106 97 E CA -1.279 55.135 56.400 0.024 0.000 0.868 97 E CB 0.231 29.992 29.700 0.103 0.000 1.454 97 E HN 0.092 nan 8.360 nan 0.000 0.452 98 N N -0.099 118.601 118.700 -0.000 0.000 2.492 98 N HA 0.292 5.905 4.740 1.454 0.000 0.262 98 N C -1.153 174.336 175.510 -0.035 0.000 1.202 98 N CA 0.056 53.093 53.050 -0.022 0.000 0.926 98 N CB 1.023 39.502 38.487 -0.014 0.000 1.078 98 N HN 0.169 nan 8.380 nan 0.000 0.454 99 V N 1.248 121.123 119.914 -0.065 0.000 2.760 99 V HA 0.371 5.364 4.120 1.454 0.000 0.309 99 V C -0.651 175.368 176.094 -0.126 0.000 1.077 99 V CA -0.730 61.518 62.300 -0.086 0.000 0.910 99 V CB 1.967 33.726 31.823 -0.107 0.000 1.008 99 V HN 0.789 nan 8.190 nan 0.000 0.424 100 S N 5.413 121.023 115.700 -0.150 0.000 2.647 100 S HA 0.774 6.117 4.470 1.454 0.000 0.300 100 S C -0.910 173.545 174.600 -0.241 0.000 1.129 100 S CA -0.834 57.238 58.200 -0.214 0.000 1.029 100 S CB 1.460 64.537 63.200 -0.204 0.000 1.007 100 S HN 0.464 nan 8.310 nan 0.000 0.484 101 M N 2.711 122.123 119.600 -0.313 0.000 2.478 101 M HA 0.617 5.969 4.480 1.454 0.000 0.327 101 M C 0.090 176.212 176.300 -0.295 0.000 1.187 101 M CA -0.278 54.809 55.300 -0.356 0.000 1.022 101 M CB 1.594 33.833 32.600 -0.601 0.000 1.629 101 M HN 0.894 nan 8.290 nan 0.000 0.461 102 T N 0.868 115.204 114.554 -0.363 0.000 2.868 102 T HA 0.641 5.864 4.350 1.454 0.000 0.306 102 T C -1.642 172.788 174.700 -0.450 0.000 1.224 102 T CA -0.490 61.407 62.100 -0.338 0.000 1.012 102 T CB 1.657 70.317 68.868 -0.348 0.000 1.221 102 T HN 0.380 nan 8.240 nan 0.000 0.499 103 V N 3.302 122.984 119.914 -0.388 0.000 2.334 103 V HA 0.685 5.678 4.120 1.454 0.000 0.281 103 V C 0.684 176.530 176.094 -0.413 0.000 1.016 103 V CA -0.933 61.074 62.300 -0.490 0.000 0.832 103 V CB 0.780 32.108 31.823 -0.826 0.000 0.999 103 V HN 1.117 nan 8.190 nan 0.000 0.439 104 A N 3.960 126.508 122.820 -0.452 0.000 2.484 104 A HA 0.557 5.750 4.320 1.454 0.000 0.268 104 A C 1.433 179.009 177.584 -0.013 0.000 1.114 104 A CA 0.731 52.625 52.037 -0.237 0.000 0.780 104 A CB -0.403 18.376 19.000 -0.368 0.000 1.061 104 A HN 2.062 nan 8.150 nan 0.000 0.505 105 G N 1.172 110.005 108.800 0.054 0.000 2.176 105 G HA2 -0.133 4.700 3.960 1.454 0.000 0.232 105 G HA3 -0.133 4.700 3.960 1.454 0.000 0.232 105 G C 0.039 174.871 174.900 -0.113 0.000 0.986 105 G CA 0.118 45.220 45.100 0.004 0.000 0.643 105 G HN 1.116 nan 8.290 nan 0.000 0.522 106 L N 1.449 122.566 121.223 -0.178 0.000 2.416 106 L HA 0.473 5.686 4.340 1.454 0.000 0.272 106 L C 0.379 177.157 176.870 -0.153 0.000 1.161 106 L CA -0.042 54.674 54.840 -0.207 0.000 0.845 106 L CB 0.829 42.704 42.059 -0.306 0.000 1.119 106 L HN 0.227 nan 8.230 nan 0.000 0.464 107 Q N 5.846 125.577 119.800 -0.115 0.000 2.509 107 Q HA 0.485 5.698 4.340 1.454 0.000 0.230 107 Q C -0.848 175.140 176.000 -0.021 0.000 1.089 107 Q CA -0.194 55.549 55.803 -0.100 0.000 0.901 107 Q CB 1.084 29.759 28.738 -0.105 0.000 1.208 107 Q HN 0.523 nan 8.270 nan 0.000 0.529 108 V N -0.902 119.034 119.914 0.036 0.000 3.232 108 V HA 0.698 5.691 4.120 1.454 0.000 0.303 108 V C -2.966 173.293 176.094 0.274 0.000 1.311 108 V CA -2.869 59.500 62.300 0.115 0.000 1.061 108 V CB 1.972 33.844 31.823 0.082 0.000 1.085 108 V HN 0.212 nan 8.190 nan 0.000 0.447 109 P HA 0.247 nan 4.420 nan 0.000 0.269 109 P C 1.125 178.566 177.300 0.236 0.000 1.215 109 P CA 0.860 64.137 63.100 0.295 0.000 0.780 109 P CB 0.911 32.772 31.700 0.269 0.000 0.898 110 G N 3.094 111.865 108.800 -0.048 0.000 2.503 110 G HA2 -0.214 4.619 3.960 1.454 0.000 0.221 110 G HA3 -0.214 4.619 3.960 1.454 0.000 0.221 110 G C -1.058 173.881 174.900 0.066 0.000 1.131 110 G CA 0.901 45.901 45.100 -0.166 0.000 0.756 110 G HN 0.481 nan 8.290 nan 0.000 0.572 111 P HA 0.089 nan 4.420 nan 0.000 0.239 111 P C 1.112 178.418 177.300 0.010 0.000 1.184 111 P CA 0.730 63.652 63.100 -0.296 0.000 0.760 111 P CB 0.002 31.220 31.700 -0.803 0.000 0.884 112 L N -3.319 117.986 121.223 0.136 0.000 2.906 112 L HA 0.223 5.436 4.340 1.454 0.000 0.255 112 L C 1.763 178.827 176.870 0.324 0.000 1.166 112 L CA -0.159 54.836 54.840 0.259 0.000 0.977 112 L CB -0.243 41.892 42.059 0.127 0.000 1.313 112 L HN -0.078 nan 8.230 nan 0.000 0.549 113 M N 0.335 120.102 119.600 0.278 0.000 2.134 113 M HA 0.234 5.587 4.480 1.454 0.000 0.262 113 M C 1.210 177.622 176.300 0.185 0.000 1.076 113 M CA 1.392 56.823 55.300 0.218 0.000 1.143 113 M CB -0.638 32.115 32.600 0.256 0.000 1.346 113 M HN 0.298 nan 8.290 nan 0.000 0.421 114 G N -2.120 106.744 108.800 0.106 0.000 2.343 114 G HA2 0.211 5.044 3.960 1.454 0.000 0.562 114 G HA3 0.211 5.044 3.960 1.454 0.000 0.562 114 G C -0.038 174.877 174.900 0.025 0.000 1.269 114 G CA -0.255 44.767 45.100 -0.129 0.000 1.011 114 G HN 0.490 nan 8.290 nan 0.000 0.498 115 G N -1.054 107.764 108.800 0.031 0.000 2.446 115 G HA2 0.615 5.448 3.960 1.454 0.000 0.200 115 G HA3 0.615 5.448 3.960 1.454 0.000 0.200 115 G C -0.417 174.392 174.900 -0.151 0.000 1.707 115 G CA 0.931 45.950 45.100 -0.135 0.000 0.697 115 G HN 0.731 nan 8.290 nan 0.000 0.675 116 P HA -0.052 nan 4.420 nan 0.000 0.218 116 P C 1.767 179.020 177.300 -0.077 0.000 1.146 116 P CA 2.032 65.102 63.100 -0.051 0.000 0.813 116 P CB -0.087 31.656 31.700 0.071 0.000 0.778 117 A N -0.297 122.469 122.820 -0.091 0.000 2.066 117 A HA -0.058 5.135 4.320 1.454 0.000 0.218 117 A C 1.796 179.267 177.584 -0.188 0.000 1.157 117 A CA 0.977 52.878 52.037 -0.227 0.000 0.670 117 A CB -0.398 18.356 19.000 -0.409 0.000 0.804 117 A HN 0.014 nan 8.150 nan 0.000 0.453 118 R N -1.159 119.170 120.500 -0.285 0.000 2.700 118 R HA 0.314 5.527 4.340 1.454 0.000 0.399 118 R C -0.249 175.762 176.300 -0.482 0.000 1.115 118 R CA -0.318 55.451 56.100 -0.551 0.000 1.058 118 R CB -0.666 28.910 30.300 -1.208 0.000 1.389 118 R HN 0.551 nan 8.270 nan 0.000 0.582 119 M N 1.086 120.525 119.600 -0.269 0.000 2.250 119 M HA 0.092 5.444 4.480 1.454 0.000 0.337 119 M C -0.173 176.037 176.300 -0.150 0.000 1.161 119 M CA 1.098 56.284 55.300 -0.191 0.000 1.088 119 M CB 0.472 33.002 32.600 -0.117 0.000 1.639 119 M HN 0.013 nan 8.290 nan 0.000 0.447 120 M N 3.673 123.206 119.600 -0.111 0.000 2.243 120 M HA 0.316 5.668 4.480 1.454 0.000 0.324 120 M C -0.198 176.078 176.300 -0.040 0.000 1.031 120 M CA -0.634 54.635 55.300 -0.052 0.000 0.949 120 M CB 1.878 34.468 32.600 -0.017 0.000 1.615 120 M HN 0.797 nan 8.290 nan 0.000 0.430 121 S N 3.091 118.778 115.700 -0.022 0.000 2.669 121 S HA 0.626 5.969 4.470 1.454 0.000 0.270 121 S C -2.705 171.886 174.600 -0.015 0.000 1.225 121 S CA -1.419 56.770 58.200 -0.018 0.000 0.991 121 S CB 0.480 63.675 63.200 -0.009 0.000 0.987 121 S HN 0.353 nan 8.310 nan 0.000 0.552 122 P HA 0.180 nan 4.420 nan 0.000 0.261 122 P C 0.163 177.458 177.300 -0.008 0.000 1.183 122 P CA 0.992 64.080 63.100 -0.021 0.000 0.761 122 P CB -0.081 31.611 31.700 -0.014 0.000 0.785 123 N N 0.363 119.059 118.700 -0.008 0.000 2.948 123 N HA -0.195 5.418 4.740 1.454 0.000 0.239 123 N C -0.386 175.137 175.510 0.022 0.000 0.954 123 N CA 1.282 54.336 53.050 0.006 0.000 0.941 123 N CB -1.510 36.981 38.487 0.006 0.000 1.101 123 N HN 0.498 nan 8.380 nan 0.000 0.579 124 A N 0.093 122.929 122.820 0.025 0.000 2.293 124 A HA 0.581 5.774 4.320 1.454 0.000 0.302 124 A C -0.172 177.461 177.584 0.082 0.000 1.119 124 A CA 0.289 52.353 52.037 0.046 0.000 0.823 124 A CB 0.636 19.656 19.000 0.033 0.000 1.097 124 A HN 0.414 nan 8.150 nan 0.000 0.491 125 D N -1.129 119.341 120.400 0.116 0.000 2.601 125 D HA 0.512 6.025 4.640 1.454 0.000 0.230 125 D C -1.258 175.206 176.300 0.273 0.000 1.106 125 D CA -0.294 53.812 54.000 0.177 0.000 0.873 125 D CB 0.904 41.787 40.800 0.138 0.000 1.515 125 D HN 0.579 nan 8.370 nan 0.000 0.468 126 W N 1.426 122.781 121.300 0.092 0.000 2.647 126 W HA 0.670 5.324 4.660 -0.010 0.000 0.328 126 W C -1.587 174.988 176.519 0.093 0.000 1.018 126 W CA -1.213 56.186 57.345 0.089 0.000 1.245 126 W CB 1.810 31.328 29.460 0.097 0.000 1.356 126 W HN 0.637 nan 8.180 nan 0.000 0.443 127 A N 8.830 131.523 122.820 -0.211 0.000 3.047 127 A HA 0.510 5.703 4.320 1.454 0.000 0.337 127 A C -2.452 174.838 177.584 -0.489 0.000 1.143 127 A CA -1.235 50.593 52.037 -0.349 0.000 0.905 127 A CB -0.223 18.677 19.000 -0.167 0.000 1.088 127 A HN 0.356 nan 8.150 nan 0.000 0.488 128 P HA 0.344 nan 4.420 nan 0.000 0.274 128 P C -0.465 176.614 177.300 -0.369 0.000 1.256 128 P CA -0.210 62.517 63.100 -0.622 0.000 0.795 128 P CB 1.438 32.574 31.700 -0.940 0.000 1.038 129 V N 2.112 121.888 119.914 -0.230 0.000 2.325 129 V HA 0.237 5.230 4.120 1.454 0.000 0.280 129 V C 0.284 176.317 176.094 -0.102 0.000 1.016 129 V CA -0.484 61.722 62.300 -0.156 0.000 0.818 129 V CB 0.699 32.452 31.823 -0.117 0.000 1.019 129 V HN 0.329 nan 8.190 nan 0.000 0.434 130 L N 7.494 128.668 121.223 -0.082 0.000 2.290 130 L HA 0.496 5.708 4.340 1.454 0.000 0.284 130 L C -2.259 174.615 176.870 0.007 0.000 1.078 130 L CA -1.529 53.299 54.840 -0.020 0.000 0.815 130 L CB 1.610 43.683 42.059 0.023 0.000 1.162 130 L HN 0.359 nan 8.230 nan 0.000 0.435 131 P HA 0.268 nan 4.420 nan 0.000 0.298 131 P C -0.810 176.517 177.300 0.046 0.000 1.365 131 P CA -0.493 62.623 63.100 0.026 0.000 0.835 131 P CB 1.184 32.897 31.700 0.021 0.000 0.948 132 I N 5.417 126.024 120.570 0.062 0.000 2.416 132 I HA 0.239 5.281 4.170 1.454 0.000 0.288 132 I C 1.471 177.624 176.117 0.060 0.000 1.051 132 I CA 0.029 61.375 61.300 0.077 0.000 1.375 132 I CB 0.076 38.141 38.000 0.108 0.000 1.407 132 I HN 0.323 nan 8.210 nan 0.000 0.516 133 R N 4.921 125.447 120.500 0.044 0.000 2.544 133 R HA 0.148 5.361 4.340 1.454 0.000 0.426 133 R C 0.049 176.358 176.300 0.015 0.000 0.943 133 R CA -0.269 55.851 56.100 0.033 0.000 1.162 133 R CB 0.598 30.914 30.300 0.026 0.000 1.588 133 R HN 0.758 nan 8.270 nan 0.000 0.563 134 Q N 0.204 120.011 119.800 0.011 0.000 2.240 134 Q HA 0.436 5.648 4.340 1.454 0.000 0.260 134 Q C -0.614 175.390 176.000 0.006 0.000 1.018 134 Q CA -0.934 54.858 55.803 -0.018 0.000 0.898 134 Q CB 1.051 29.759 28.738 -0.051 0.000 1.301 134 Q HN -0.218 nan 8.270 nan 0.000 0.469 135 N N 0.173 118.869 118.700 -0.006 0.000 2.399 135 N HA 0.228 5.840 4.740 1.454 0.000 0.250 135 N C -0.513 175.008 175.510 0.019 0.000 1.272 135 N CA 0.178 53.249 53.050 0.034 0.000 0.928 135 N CB 0.427 38.949 38.487 0.058 0.000 1.158 135 N HN 0.767 nan 8.380 nan 0.000 0.463 136 A N 0.053 122.896 122.820 0.039 0.000 2.565 136 A HA 0.465 5.657 4.320 1.454 0.000 0.237 136 A C 0.259 177.764 177.584 -0.132 0.000 1.053 136 A CA 0.469 52.485 52.037 -0.034 0.000 0.755 136 A CB -0.418 18.597 19.000 0.025 0.000 0.980 136 A HN 0.816 nan 8.150 nan 0.000 0.506 137 A N 1.558 124.298 122.820 -0.134 0.000 2.566 137 A HA 0.713 5.906 4.320 1.454 0.000 0.290 137 A C -0.360 177.185 177.584 -0.064 0.000 1.071 137 A CA -0.344 51.610 52.037 -0.138 0.000 0.658 137 A CB 0.566 19.527 19.000 -0.065 0.000 1.285 137 A HN 0.977 nan 8.150 nan 0.000 0.427 138 T N 1.888 116.417 114.554 -0.041 0.000 2.853 138 T HA 0.535 5.758 4.350 1.454 0.000 0.317 138 T C -0.276 174.492 174.700 0.114 0.000 1.059 138 T CA -0.027 62.093 62.100 0.033 0.000 0.954 138 T CB -0.213 68.654 68.868 -0.001 0.000 0.994 138 T HN 0.398 nan 8.240 nan 0.000 0.479 139 L N 2.496 123.854 121.223 0.225 0.000 2.687 139 L HA 0.800 6.013 4.340 1.454 0.000 0.252 139 L C -0.353 176.794 176.870 0.462 0.000 1.115 139 L CA -0.934 54.082 54.840 0.293 0.000 0.893 139 L CB 0.431 42.596 42.059 0.177 0.000 1.670 139 L HN 0.728 nan 8.230 nan 0.000 0.531 140 W N 0.054 121.411 121.300 0.096 0.000 3.464 140 W HA 0.439 5.979 4.660 1.466 0.000 0.292 140 W C -2.171 174.401 176.519 0.087 0.000 1.262 140 W CA -1.589 55.808 57.345 0.087 0.000 1.202 140 W CB -0.114 29.345 29.460 -0.001 0.000 1.334 140 W HN 0.521 nan 8.180 nan 0.000 0.561 141 Y N 0.948 121.255 120.300 0.012 0.000 2.528 141 Y HA 0.853 6.279 4.550 1.460 0.000 0.335 141 Y C -0.377 175.361 175.900 -0.269 0.000 1.093 141 Y CA -0.945 56.993 58.100 -0.271 0.000 1.134 141 Y CB 1.557 40.014 38.460 -0.003 0.000 1.253 141 Y HN 0.734 nan 8.280 nan 0.000 0.478 142 H N -0.496 118.418 119.070 -0.260 0.000 2.935 142 H HA 0.721 6.155 4.556 1.462 0.000 0.297 142 H C -1.722 173.487 175.328 -0.199 0.000 1.423 142 H CA -1.105 54.780 56.048 -0.271 0.000 1.161 142 H CB 0.495 29.916 29.762 -0.569 0.000 1.841 142 H HN 1.001 nan 8.280 nan 0.000 0.506 143 A N 1.002 123.832 122.820 0.016 0.000 2.388 143 A HA 0.358 5.551 4.320 1.454 0.000 0.257 143 A C 0.205 177.798 177.584 0.014 0.000 1.095 143 A CA -0.062 51.952 52.037 -0.039 0.000 0.791 143 A CB -0.218 18.792 19.000 0.017 0.000 1.029 143 A HN 0.909 nan 8.150 nan 0.000 0.489 144 N N 0.349 118.984 118.700 -0.108 0.000 2.305 144 N HA 0.067 5.680 4.740 1.454 0.000 0.248 144 N C -0.550 174.848 175.510 -0.185 0.000 1.290 144 N CA -0.152 52.822 53.050 -0.127 0.000 0.873 144 N CB -0.567 37.809 38.487 -0.184 0.000 1.261 144 N HN 0.309 nan 8.380 nan 0.000 0.504 145 T N 2.798 117.273 114.554 -0.132 0.000 2.891 145 T HA 0.074 5.297 4.350 1.454 0.000 0.296 145 T C -2.501 172.118 174.700 -0.135 0.000 1.025 145 T CA -0.043 61.986 62.100 -0.118 0.000 1.149 145 T CB 0.419 69.253 68.868 -0.056 0.000 1.007 145 T HN 0.182 nan 8.240 nan 0.000 0.528 146 P HA 0.110 nan 4.420 nan 0.000 0.268 146 P C 0.599 177.875 177.300 -0.040 0.000 1.204 146 P CA 0.010 63.028 63.100 -0.137 0.000 0.768 146 P CB 0.281 31.983 31.700 0.003 0.000 0.842 147 N N 1.079 119.756 118.700 -0.038 0.000 2.857 147 N HA -0.232 5.381 4.740 1.454 0.000 0.242 147 N C 0.630 176.140 175.510 -0.001 0.000 0.983 147 N CA 1.246 54.301 53.050 0.008 0.000 0.934 147 N CB -1.022 37.493 38.487 0.047 0.000 1.115 147 N HN 0.551 nan 8.380 nan 0.000 0.593 148 R N -0.783 119.702 120.500 -0.025 0.000 2.538 148 R HA 0.201 5.413 4.340 1.454 0.000 0.372 148 R C 1.021 177.300 176.300 -0.036 0.000 0.950 148 R CA 0.487 56.577 56.100 -0.016 0.000 1.168 148 R CB 0.372 30.680 30.300 0.012 0.000 1.542 148 R HN 0.111 nan 8.270 nan 0.000 0.536 149 T N 0.342 114.859 114.554 -0.061 0.000 2.708 149 T HA -0.151 5.071 4.350 1.454 0.000 0.266 149 T C 1.889 176.545 174.700 -0.074 0.000 1.037 149 T CA 1.619 63.682 62.100 -0.062 0.000 1.146 149 T CB -0.134 68.682 68.868 -0.087 0.000 0.865 149 T HN 0.343 nan 8.240 nan 0.000 0.435 150 A N 1.322 124.083 122.820 -0.097 0.000 1.883 150 A HA -0.219 4.973 4.320 1.454 0.000 0.217 150 A C 2.286 179.659 177.584 -0.353 0.000 1.186 150 A CA 2.173 54.110 52.037 -0.166 0.000 0.624 150 A CB -0.806 18.130 19.000 -0.108 0.000 0.822 150 A HN 0.481 nan 8.150 nan 0.000 0.444 151 Q N -0.533 119.038 119.800 -0.382 0.000 2.172 151 Q HA -0.114 5.099 4.340 1.454 0.000 0.200 151 Q C 2.089 177.949 176.000 -0.234 0.000 0.964 151 Q CA 1.880 57.400 55.803 -0.472 0.000 0.855 151 Q CB -0.279 28.261 28.738 -0.330 0.000 0.918 151 Q HN 0.761 nan 8.270 nan 0.000 0.444 152 Q N -1.021 118.737 119.800 -0.069 0.000 2.083 152 Q HA -0.064 5.148 4.340 1.454 0.000 0.198 152 Q C 2.069 178.131 176.000 0.104 0.000 0.969 152 Q CA 1.482 57.355 55.803 0.116 0.000 0.838 152 Q CB 0.189 29.039 28.738 0.185 0.000 0.900 152 Q HN 0.270 nan 8.270 nan 0.000 0.436 153 V N 0.038 119.970 119.914 0.030 0.000 2.358 153 V HA -0.253 4.740 4.120 1.454 0.000 0.246 153 V C 1.873 177.979 176.094 0.021 0.000 1.047 153 V CA 1.656 63.979 62.300 0.038 0.000 1.035 153 V CB -0.583 31.250 31.823 0.017 0.000 0.658 153 V HN 0.382 nan 8.190 nan 0.000 0.452 154 Y N 1.556 121.746 120.300 -0.184 0.000 2.403 154 Y HA -0.170 5.251 4.550 1.453 0.000 0.291 154 Y C 2.177 177.989 175.900 -0.146 0.000 1.143 154 Y CA 1.438 59.397 58.100 -0.236 0.000 1.257 154 Y CB -0.203 37.937 38.460 -0.533 0.000 0.984 154 Y HN 0.298 nan 8.280 nan 0.000 0.550 155 N N 0.137 118.777 118.700 -0.099 0.000 2.515 155 N HA 0.051 5.664 4.740 1.454 0.000 0.185 155 N C 1.258 176.851 175.510 0.138 0.000 1.109 155 N CA 1.205 54.173 53.050 -0.137 0.000 0.903 155 N CB -0.013 38.207 38.487 -0.446 0.000 0.969 155 N HN 0.492 nan 8.380 nan 0.000 0.450 156 G N -0.446 108.409 108.800 0.090 0.000 2.148 156 G HA2 -0.210 4.622 3.960 1.454 0.000 0.203 156 G HA3 -0.210 4.622 3.960 1.454 0.000 0.203 156 G C -0.332 174.492 174.900 -0.126 0.000 0.993 156 G CA -0.437 44.576 45.100 -0.146 0.000 0.661 156 G HN 0.222 nan 8.290 nan 0.000 0.518 157 L N 1.448 122.710 121.223 0.066 0.000 2.423 157 L HA 0.793 6.005 4.340 1.454 0.000 0.249 157 L C 0.593 177.499 176.870 0.061 0.000 1.276 157 L CA 0.477 55.382 54.840 0.109 0.000 1.199 157 L CB -0.424 41.761 42.059 0.211 0.000 1.407 157 L HN 1.047 nan 8.230 nan 0.000 0.410 158 A N 0.893 123.698 122.820 -0.025 0.000 2.566 158 A HA 0.941 6.134 4.320 1.454 0.000 0.290 158 A C -0.491 176.893 177.584 -0.333 0.000 1.071 158 A CA -0.047 51.928 52.037 -0.104 0.000 0.658 158 A CB 0.996 20.031 19.000 0.057 0.000 1.285 158 A HN 0.607 nan 8.150 nan 0.000 0.427 159 G N -0.842 107.518 108.800 -0.735 0.000 2.441 159 G HA2 0.591 5.424 3.960 1.454 0.000 0.294 159 G HA3 0.591 5.424 3.960 1.454 0.000 0.294 159 G C -1.126 173.482 174.900 -0.487 0.000 1.393 159 G CA -0.196 44.498 45.100 -0.678 0.000 0.796 159 G HN 1.049 nan 8.290 nan 0.000 0.494 160 M N 0.690 120.269 119.600 -0.035 0.000 2.288 160 M HA 0.655 6.007 4.480 1.454 0.000 0.334 160 M C -1.152 175.391 176.300 0.404 0.000 1.150 160 M CA -0.756 54.655 55.300 0.185 0.000 1.118 160 M CB 1.419 34.113 32.600 0.156 0.000 1.501 160 M HN 0.605 nan 8.290 nan 0.000 0.462 161 W N 7.044 128.459 121.300 0.192 0.000 2.830 161 W HA 0.488 6.018 4.660 1.450 0.000 0.335 161 W C -2.669 173.879 176.519 0.049 0.000 1.043 161 W CA -0.760 56.685 57.345 0.166 0.000 1.239 161 W CB 1.060 30.656 29.460 0.227 0.000 1.378 161 W HN 0.521 nan 8.180 nan 0.000 0.456 162 L N 6.101 127.270 121.223 -0.091 0.000 2.329 162 L HA 0.616 5.828 4.340 1.454 0.000 0.279 162 L C -0.282 176.469 176.870 -0.198 0.000 1.014 162 L CA -1.246 53.536 54.840 -0.096 0.000 0.814 162 L CB 1.875 43.828 42.059 -0.178 0.000 1.257 162 L HN -0.002 nan 8.230 nan 0.000 0.424 163 V N 2.431 122.282 119.914 -0.106 0.000 2.350 163 V HA 0.343 5.335 4.120 1.454 0.000 0.285 163 V C -0.198 175.733 176.094 -0.273 0.000 1.014 163 V CA -0.728 61.486 62.300 -0.144 0.000 0.831 163 V CB 1.464 33.307 31.823 0.033 0.000 1.000 163 V HN 0.640 nan 8.190 nan 0.000 0.433 164 E N 3.880 123.742 120.200 -0.564 0.000 2.222 164 E HA 0.591 5.814 4.350 1.454 0.000 0.272 164 E C -0.855 175.630 176.600 -0.191 0.000 0.982 164 E CA -0.426 55.562 56.400 -0.685 0.000 0.842 164 E CB 2.614 31.190 29.700 -1.874 0.000 1.144 164 E HN 0.899 nan 8.360 nan 0.000 0.397 165 D N -0.788 119.683 120.400 0.120 0.000 2.895 165 D HA 0.081 5.593 4.640 1.454 0.000 0.320 165 D C 0.726 177.234 176.300 0.347 0.000 1.249 165 D CA -0.571 53.614 54.000 0.309 0.000 0.997 165 D CB 0.457 41.368 40.800 0.184 0.000 1.430 165 D HN 0.284 nan 8.370 nan 0.000 0.558 166 E N -0.400 119.935 120.200 0.226 0.000 2.015 166 E HA -0.091 5.132 4.350 1.454 0.000 0.191 166 E C 2.069 178.749 176.600 0.134 0.000 0.991 166 E CA 1.157 57.652 56.400 0.158 0.000 0.802 166 E CB -0.026 29.731 29.700 0.095 0.000 0.759 166 E HN 0.305 nan 8.360 nan 0.000 0.447 167 V N 1.777 121.763 119.914 0.119 0.000 2.231 167 V HA -0.379 4.614 4.120 1.454 0.000 0.250 167 V C 2.685 178.815 176.094 0.060 0.000 1.058 167 V CA 2.352 64.694 62.300 0.069 0.000 1.022 167 V CB -1.062 30.811 31.823 0.083 0.000 0.640 167 V HN 0.418 nan 8.190 nan 0.000 0.445 168 S N 0.220 116.048 115.700 0.214 0.000 2.377 168 S HA -0.356 4.987 4.470 1.454 0.000 0.224 168 S C 1.920 176.617 174.600 0.162 0.000 1.042 168 S CA 2.080 60.457 58.200 0.295 0.000 1.086 168 S CB -0.630 62.791 63.200 0.368 0.000 0.995 168 S HN 0.581 nan 8.310 nan 0.000 0.428 169 K N 0.812 121.325 120.400 0.188 0.000 2.589 169 K HA 0.147 5.339 4.320 1.454 0.000 0.192 169 K C 1.842 178.496 176.600 0.089 0.000 1.029 169 K CA 0.587 56.972 56.287 0.164 0.000 1.031 169 K CB -0.201 32.459 32.500 0.267 0.000 0.821 169 K HN 0.481 nan 8.250 nan 0.000 0.502 170 S N -0.196 115.534 115.700 0.051 0.000 2.506 170 S HA 0.164 5.506 4.470 1.454 0.000 0.230 170 S C 0.695 175.275 174.600 -0.035 0.000 1.066 170 S CA -0.301 57.903 58.200 0.008 0.000 0.940 170 S CB 0.149 63.351 63.200 0.003 0.000 0.818 170 S HN 0.161 nan 8.310 nan 0.000 0.518 171 L N 2.818 123.992 121.223 -0.082 0.000 2.492 171 L HA 0.194 5.407 4.340 1.454 0.000 0.280 171 L C -1.878 174.940 176.870 -0.088 0.000 1.240 171 L CA -1.017 53.744 54.840 -0.132 0.000 0.831 171 L CB -0.084 41.822 42.059 -0.256 0.000 1.100 171 L HN 0.202 nan 8.230 nan 0.000 0.505 172 P HA 0.173 nan 4.420 nan 0.000 0.218 172 P C -0.816 176.421 177.300 -0.105 0.000 1.793 172 P CA 0.152 63.203 63.100 -0.081 0.000 0.941 172 P CB -0.553 31.093 31.700 -0.091 0.000 1.919 173 I N -2.788 117.741 120.570 -0.069 0.000 2.740 173 I HA 0.684 5.727 4.170 1.454 0.000 0.303 173 I C -2.879 173.259 176.117 0.036 0.000 1.044 173 I CA -3.694 57.576 61.300 -0.051 0.000 1.064 173 I CB 2.009 39.979 38.000 -0.049 0.000 1.249 173 I HN -0.292 nan 8.210 nan 0.000 0.433 174 P HA 0.121 nan 4.420 nan 0.000 0.263 174 P C -0.820 176.549 177.300 0.116 0.000 1.195 174 P CA 0.224 63.397 63.100 0.122 0.000 0.762 174 P CB 0.123 31.924 31.700 0.168 0.000 0.799 175 N N -0.643 118.128 118.700 0.119 0.000 2.217 175 N HA 0.006 5.618 4.740 1.454 0.000 0.239 175 N C -0.446 175.148 175.510 0.140 0.000 1.330 175 N CA -0.372 52.748 53.050 0.116 0.000 0.838 175 N CB -0.455 38.095 38.487 0.105 0.000 1.287 175 N HN 0.402 nan 8.380 nan 0.000 0.498 176 H N 0.763 119.850 119.070 0.027 0.000 2.914 176 H HA 0.105 5.533 4.556 1.454 0.000 0.264 176 H C -0.690 174.600 175.328 -0.063 0.000 1.433 176 H CA -1.093 54.962 56.048 0.011 0.000 1.342 176 H CB 0.062 29.828 29.762 0.006 0.000 1.582 176 H HN 0.251 nan 8.280 nan 0.000 0.525 177 Y N 3.836 124.172 120.300 0.060 0.000 2.969 177 Y HA -0.085 5.339 4.550 1.456 0.000 0.339 177 Y C 1.444 177.207 175.900 -0.228 0.000 1.272 177 Y CA 1.962 59.993 58.100 -0.115 0.000 1.577 177 Y CB 0.137 38.566 38.460 -0.052 0.000 1.234 177 Y HN 0.964 nan 8.280 nan 0.000 0.590 178 G N 2.707 110.837 108.800 -1.117 0.000 2.267 178 G HA2 -0.317 4.515 3.960 1.454 0.000 0.257 178 G HA3 -0.317 4.515 3.960 1.454 0.000 0.257 178 G C 0.490 174.930 174.900 -0.767 0.000 0.998 178 G CA 0.541 45.099 45.100 -0.904 0.000 0.620 178 G HN 0.751 nan 8.290 nan 0.000 0.529 179 V N 0.907 120.376 119.914 -0.741 0.000 2.784 179 V HA 0.234 5.227 4.120 1.454 0.000 0.231 179 V C 1.892 177.883 176.094 -0.171 0.000 1.128 179 V CA 2.124 64.183 62.300 -0.401 0.000 1.178 179 V CB 0.033 31.498 31.823 -0.598 0.000 0.943 179 V HN 0.474 nan 8.190 nan 0.000 0.500 180 D N -1.550 118.740 120.400 -0.183 0.000 2.500 180 D HA 0.132 5.645 4.640 1.454 0.000 0.217 180 D C -0.109 176.226 176.300 0.057 0.000 1.159 180 D CA 0.059 54.125 54.000 0.110 0.000 0.828 180 D CB 0.310 41.194 40.800 0.141 0.000 1.039 180 D HN 0.386 nan 8.370 nan 0.000 0.512 181 D N -0.035 120.175 120.400 -0.316 0.000 2.505 181 D HA 0.341 5.854 4.640 1.454 0.000 0.250 181 D C -1.478 174.491 176.300 -0.551 0.000 1.164 181 D CA -0.475 53.412 54.000 -0.189 0.000 0.870 181 D CB 0.555 41.330 40.800 -0.042 0.000 1.160 181 D HN -0.158 nan 8.370 nan 0.000 0.549 182 F N 3.170 123.076 119.950 -0.073 0.000 2.561 182 F HA 0.582 5.982 4.527 1.454 0.000 0.321 182 F C -2.071 173.695 175.800 -0.058 0.000 1.065 182 F CA -2.268 55.646 58.000 -0.143 0.000 0.934 182 F CB 2.215 41.141 39.000 -0.124 0.000 1.215 182 F HN 0.085 nan 8.300 nan 0.000 0.471 183 P HA 0.337 nan 4.420 nan 0.000 0.300 183 P C -1.035 176.314 177.300 0.082 0.000 1.356 183 P CA -0.430 62.739 63.100 0.115 0.000 0.823 183 P CB 1.461 33.254 31.700 0.156 0.000 0.934 184 V N 5.525 125.464 119.914 0.041 0.000 2.217 184 V HA 0.272 5.264 4.120 1.454 0.000 0.264 184 V C 0.477 176.545 176.094 -0.043 0.000 1.107 184 V CA -0.325 61.973 62.300 -0.004 0.000 0.913 184 V CB -0.121 31.689 31.823 -0.022 0.000 1.153 184 V HN 0.458 nan 8.190 nan 0.000 0.469 185 I N 4.950 125.499 120.570 -0.034 0.000 2.311 185 I HA 0.265 5.308 4.170 1.454 0.000 0.297 185 I C 0.193 176.265 176.117 -0.075 0.000 1.131 185 I CA 0.105 61.364 61.300 -0.069 0.000 1.289 185 I CB 0.271 38.239 38.000 -0.053 0.000 1.446 185 I HN 0.404 nan 8.210 nan 0.000 0.524 186 I N 6.519 127.010 120.570 -0.133 0.000 2.471 186 I HA 0.139 5.181 4.170 1.454 0.000 0.286 186 I C 0.317 176.377 176.117 -0.095 0.000 1.079 186 I CA 0.363 61.552 61.300 -0.185 0.000 1.398 186 I CB 0.369 38.126 38.000 -0.406 0.000 1.403 186 I HN 0.605 nan 8.210 nan 0.000 0.530 187 Q N 3.924 123.717 119.800 -0.013 0.000 2.423 187 Q HA 0.327 5.540 4.340 1.454 0.000 0.278 187 Q C -1.472 174.643 176.000 0.191 0.000 1.097 187 Q CA -0.891 54.980 55.803 0.113 0.000 0.809 187 Q CB 2.771 31.586 28.738 0.128 0.000 1.391 187 Q HN 0.481 nan 8.270 nan 0.000 0.428 188 D N 1.822 122.392 120.400 0.283 0.000 2.441 188 D HA 0.266 5.779 4.640 1.454 0.000 0.231 188 D C -1.181 175.360 176.300 0.400 0.000 1.073 188 D CA -0.224 53.983 54.000 0.346 0.000 0.850 188 D CB 0.588 41.626 40.800 0.396 0.000 1.062 188 D HN 0.131 nan 8.370 nan 0.000 0.524 189 K N 3.008 123.592 120.400 0.307 0.000 2.395 189 K HA 0.502 5.694 4.320 1.454 0.000 0.247 189 K C -0.297 176.486 176.600 0.305 0.000 0.973 189 K CA -0.871 55.599 56.287 0.306 0.000 0.828 189 K CB 2.386 34.884 32.500 -0.004 0.000 1.272 189 K HN 0.314 nan 8.250 nan 0.000 0.439 190 R N 2.304 123.036 120.500 0.387 0.000 2.363 190 R HA 0.357 5.570 4.340 1.454 0.000 0.297 190 R C -0.621 175.761 176.300 0.137 0.000 1.208 190 R CA -0.431 55.824 56.100 0.259 0.000 1.121 190 R CB 0.347 30.863 30.300 0.359 0.000 1.124 190 R HN 0.391 nan 8.270 nan 0.000 0.561 191 L N 2.672 123.919 121.223 0.040 0.000 2.292 191 L HA 0.279 5.492 4.340 1.454 0.000 0.284 191 L C 0.634 177.509 176.870 0.009 0.000 1.065 191 L CA -0.902 53.926 54.840 -0.020 0.000 0.806 191 L CB 0.941 42.967 42.059 -0.056 0.000 1.175 191 L HN 0.515 nan 8.230 nan 0.000 0.431 192 D N 1.015 121.418 120.400 0.004 0.000 2.312 192 D HA -0.115 5.398 4.640 1.454 0.000 0.244 192 D C 0.877 177.160 176.300 -0.028 0.000 1.328 192 D CA -0.269 53.717 54.000 -0.024 0.000 0.965 192 D CB 0.394 41.172 40.800 -0.038 0.000 1.140 192 D HN 0.585 nan 8.370 nan 0.000 0.523 193 N N -0.909 117.718 118.700 -0.122 0.000 2.223 193 N HA -0.156 5.456 4.740 1.454 0.000 0.185 193 N C 1.005 176.552 175.510 0.062 0.000 1.016 193 N CA 0.683 53.667 53.050 -0.109 0.000 0.863 193 N CB -0.140 38.190 38.487 -0.262 0.000 0.983 193 N HN 0.342 nan 8.380 nan 0.000 0.429 194 F N 0.270 120.242 119.950 0.036 0.000 2.811 194 F HA 0.265 5.664 4.527 1.454 0.000 0.301 194 F C 1.898 177.734 175.800 0.060 0.000 1.151 194 F CA 0.589 58.615 58.000 0.043 0.000 1.412 194 F CB -0.420 38.606 39.000 0.042 0.000 1.113 194 F HN 0.184 nan 8.300 nan 0.000 0.579 195 G N 0.381 109.315 108.800 0.223 0.000 2.134 195 G HA2 -0.216 4.617 3.960 1.454 0.000 0.209 195 G HA3 -0.216 4.617 3.960 1.454 0.000 0.209 195 G C 0.072 175.075 174.900 0.171 0.000 0.993 195 G CA 0.072 45.285 45.100 0.189 0.000 0.669 195 G HN 0.262 nan 8.290 nan 0.000 0.519 196 T N 2.098 116.721 114.554 0.114 0.000 2.771 196 T HA 0.561 5.784 4.350 1.454 0.000 0.281 196 T C -2.635 172.026 174.700 -0.064 0.000 0.982 196 T CA -1.288 60.846 62.100 0.058 0.000 0.978 196 T CB 2.380 71.312 68.868 0.107 0.000 0.930 196 T HN 0.047 nan 8.240 nan 0.000 0.447 197 P HA 0.149 nan 4.420 nan 0.000 0.271 197 P C -0.285 177.036 177.300 0.034 0.000 1.233 197 P CA -0.286 62.669 63.100 -0.241 0.000 0.764 197 P CB 0.160 31.490 31.700 -0.616 0.000 0.825 198 E N 2.973 123.252 120.200 0.132 0.000 2.166 198 E HA 0.306 5.529 4.350 1.454 0.000 0.275 198 E C -1.442 175.265 176.600 0.177 0.000 0.941 198 E CA -0.936 55.548 56.400 0.140 0.000 0.784 198 E CB 1.238 30.981 29.700 0.072 0.000 1.115 198 E HN 0.334 nan 8.360 nan 0.000 0.399 199 Y N 3.684 123.931 120.300 -0.088 0.000 2.575 199 Y HA 0.328 5.752 4.550 1.457 0.000 0.326 199 Y C -1.317 174.501 175.900 -0.136 0.000 0.979 199 Y CA -1.067 56.824 58.100 -0.348 0.000 1.286 199 Y CB 0.736 38.743 38.460 -0.755 0.000 1.093 199 Y HN 0.470 nan 8.280 nan 0.000 0.501 200 N N 5.022 123.518 118.700 -0.339 0.000 2.462 200 N HA 0.104 5.716 4.740 1.454 0.000 0.242 200 N C -0.826 174.400 175.510 -0.473 0.000 1.010 200 N CA -0.475 52.391 53.050 -0.307 0.000 0.939 200 N CB 0.850 39.255 38.487 -0.137 0.000 1.127 200 N HN 0.649 nan 8.380 nan 0.000 0.509 201 E N 2.571 122.465 120.200 -0.511 0.000 2.924 201 E HA -0.092 5.131 4.350 1.454 0.000 0.236 201 E C -0.911 175.560 176.600 -0.215 0.000 1.028 201 E CA -0.419 55.741 56.400 -0.399 0.000 0.952 201 E CB 0.350 29.961 29.700 -0.148 0.000 0.918 201 E HN 0.474 nan 8.360 nan 0.000 0.536 202 P HA -0.066 nan 4.420 nan 0.000 0.212 202 P C 1.061 178.330 177.300 -0.052 0.000 1.180 202 P CA 1.455 64.495 63.100 -0.100 0.000 0.902 202 P CB 0.214 31.870 31.700 -0.074 0.000 0.778 203 G N -0.468 108.324 108.800 -0.014 0.000 5.005 203 G HA2 -0.271 4.561 3.960 1.454 0.000 0.251 203 G HA3 -0.271 4.561 3.960 1.454 0.000 0.251 203 G C 0.553 175.462 174.900 0.014 0.000 1.536 203 G CA 0.260 45.364 45.100 0.007 0.000 1.060 203 G HN 0.567 nan 8.290 nan 0.000 0.683 204 S N 2.455 118.156 115.700 0.001 0.000 3.455 204 S HA 0.528 5.871 4.470 1.454 0.000 0.288 204 S C 0.821 175.426 174.600 0.008 0.000 1.231 204 S CA 1.590 59.793 58.200 0.005 0.000 1.031 204 S CB -1.049 62.149 63.200 -0.004 0.000 1.570 204 S HN 2.378 nan 8.310 nan 0.000 0.519 205 G N 2.462 111.277 108.800 0.024 0.000 2.409 205 G HA2 0.170 5.003 3.960 1.454 0.000 0.421 205 G HA3 0.170 5.003 3.960 1.454 0.000 0.421 205 G C -0.034 174.900 174.900 0.057 0.000 1.259 205 G CA -0.529 44.592 45.100 0.034 0.000 1.011 205 G HN 0.937 nan 8.290 nan 0.000 0.497 206 G N -1.233 107.611 108.800 0.073 0.000 2.537 206 G HA2 0.704 5.536 3.960 1.454 0.000 0.297 206 G HA3 0.704 5.536 3.960 1.454 0.000 0.297 206 G C -0.567 174.412 174.900 0.133 0.000 1.310 206 G CA -0.082 45.092 45.100 0.123 0.000 1.027 206 G HN 1.374 nan 8.290 nan 0.000 0.505 207 F N 0.136 120.122 119.950 0.060 0.000 2.396 207 F HA 0.593 5.994 4.527 1.456 0.000 0.343 207 F C -0.362 175.460 175.800 0.037 0.000 1.104 207 F CA -0.560 57.463 58.000 0.037 0.000 1.161 207 F CB 1.553 40.628 39.000 0.125 0.000 1.146 207 F HN 0.187 nan 8.300 nan 0.000 0.522 208 V N 6.079 125.514 119.914 -0.800 0.000 2.525 208 V HA 0.633 5.625 4.120 1.454 0.000 0.299 208 V C 0.276 175.934 176.094 -0.727 0.000 1.034 208 V CA -0.444 61.553 62.300 -0.504 0.000 0.863 208 V CB 1.132 32.796 31.823 -0.266 0.000 0.999 208 V HN 1.045 nan 8.190 nan 0.000 0.423 209 G N 2.170 110.820 108.800 -0.250 0.000 2.552 209 G HA2 0.570 5.403 3.960 1.454 0.000 0.318 209 G HA3 0.570 5.403 3.960 1.454 0.000 0.318 209 G C 0.024 174.926 174.900 0.003 0.000 1.240 209 G CA 0.090 45.170 45.100 -0.033 0.000 1.002 209 G HN 0.731 nan 8.290 nan 0.000 0.493 210 D N -2.324 118.105 120.400 0.048 0.000 2.500 210 D HA 0.112 5.624 4.640 1.454 0.000 0.217 210 D C 0.289 176.630 176.300 0.068 0.000 1.159 210 D CA 0.065 54.087 54.000 0.037 0.000 0.828 210 D CB 0.467 41.272 40.800 0.009 0.000 1.039 210 D HN 0.153 nan 8.370 nan 0.000 0.512 211 T N 1.508 116.122 114.554 0.100 0.000 2.791 211 T HA 0.388 5.610 4.350 1.454 0.000 0.288 211 T C 0.008 174.782 174.700 0.123 0.000 0.999 211 T CA -0.573 61.587 62.100 0.099 0.000 0.952 211 T CB 1.589 70.511 68.868 0.089 0.000 0.938 211 T HN 0.054 nan 8.240 nan 0.000 0.444 212 L N 4.003 125.290 121.223 0.105 0.000 2.367 212 L HA 0.392 5.605 4.340 1.454 0.000 0.275 212 L C -0.791 176.133 176.870 0.090 0.000 1.129 212 L CA -0.492 54.403 54.840 0.093 0.000 0.839 212 L CB 0.600 42.689 42.059 0.050 0.000 1.133 212 L HN 0.363 nan 8.230 nan 0.000 0.453 213 L N 4.440 125.719 121.223 0.094 0.000 2.386 213 L HA 0.519 5.732 4.340 1.454 0.000 0.271 213 L C -0.639 176.280 176.870 0.081 0.000 0.993 213 L CA -0.292 54.626 54.840 0.130 0.000 0.819 213 L CB 2.216 44.402 42.059 0.211 0.000 1.294 213 L HN 0.137 nan 8.230 nan 0.000 0.414 214 V N 4.093 124.057 119.914 0.083 0.000 2.376 214 V HA 0.419 5.412 4.120 1.454 0.000 0.287 214 V C 0.025 176.175 176.094 0.093 0.000 1.015 214 V CA -0.701 61.625 62.300 0.044 0.000 0.834 214 V CB 1.260 33.079 31.823 -0.005 0.000 1.001 214 V HN 0.831 nan 8.190 nan 0.000 0.428 215 N N 3.811 122.565 118.700 0.091 0.000 2.753 215 N HA -0.214 5.399 4.740 1.454 0.000 0.251 215 N C 1.131 176.779 175.510 0.229 0.000 1.097 215 N CA 2.115 55.236 53.050 0.118 0.000 0.786 215 N CB -1.185 37.372 38.487 0.116 0.000 1.137 215 N HN 1.482 nan 8.380 nan 0.000 0.566 216 G N -2.751 106.221 108.800 0.287 0.000 2.238 216 G HA2 -0.179 4.653 3.960 1.454 0.000 0.217 216 G HA3 -0.179 4.653 3.960 1.454 0.000 0.217 216 G C -0.087 175.073 174.900 0.433 0.000 0.996 216 G CA 0.250 45.562 45.100 0.354 0.000 0.632 216 G HN 0.888 nan 8.290 nan 0.000 0.503 217 V N 1.438 121.541 119.914 0.315 0.000 2.667 217 V HA 0.698 5.690 4.120 1.454 0.000 0.308 217 V C 0.102 176.292 176.094 0.160 0.000 1.048 217 V CA -0.652 61.773 62.300 0.209 0.000 0.928 217 V CB 1.651 33.544 31.823 0.117 0.000 1.004 217 V HN 0.375 nan 8.190 nan 0.000 0.444 218 Q N 3.206 123.090 119.800 0.140 0.000 2.296 218 Q HA 0.305 5.518 4.340 1.454 0.000 0.262 218 Q C 0.555 176.600 176.000 0.075 0.000 0.981 218 Q CA 0.204 56.074 55.803 0.110 0.000 0.905 218 Q CB 0.976 29.779 28.738 0.108 0.000 1.186 218 Q HN 0.906 nan 8.270 nan 0.000 0.399 219 S N 2.011 117.744 115.700 0.056 0.000 3.348 219 S HA -0.137 5.206 4.470 1.454 0.000 0.366 219 S C -1.996 172.632 174.600 0.047 0.000 0.953 219 S CA 0.235 58.458 58.200 0.038 0.000 1.255 219 S CB -1.426 61.796 63.200 0.036 0.000 0.906 219 S HN 0.583 nan 8.310 nan 0.000 0.495 220 P HA 0.295 nan 4.420 nan 0.000 0.274 220 P C -0.307 177.013 177.300 0.033 0.000 1.260 220 P CA -0.328 62.781 63.100 0.015 0.000 0.793 220 P CB 0.366 32.035 31.700 -0.052 0.000 1.048 221 Y N -2.017 118.251 120.300 -0.054 0.000 2.485 221 Y HA 0.696 6.119 4.550 1.455 0.000 0.345 221 Y C -1.363 174.467 175.900 -0.117 0.000 0.998 221 Y CA -1.622 56.430 58.100 -0.080 0.000 1.059 221 Y CB 1.326 39.747 38.460 -0.064 0.000 1.234 221 Y HN 0.207 nan 8.280 nan 0.000 0.461 222 V N 4.493 124.309 119.914 -0.163 0.000 2.407 222 V HA 0.314 5.306 4.120 1.454 0.000 0.291 222 V C -0.709 175.288 176.094 -0.161 0.000 1.018 222 V CA -0.582 61.511 62.300 -0.345 0.000 0.842 222 V CB 1.335 32.824 31.823 -0.556 0.000 0.996 222 V HN 0.941 nan 8.190 nan 0.000 0.426 223 E N 5.792 125.939 120.200 -0.090 0.000 2.104 223 E HA 0.287 5.510 4.350 1.454 0.000 0.278 223 E C -0.228 176.349 176.600 -0.038 0.000 1.127 223 E CA -0.007 56.409 56.400 0.027 0.000 0.897 223 E CB 1.470 31.238 29.700 0.112 0.000 1.043 223 E HN 0.671 nan 8.360 nan 0.000 0.410 224 V N 0.143 120.036 119.914 -0.035 0.000 3.096 224 V HA 0.556 5.549 4.120 1.454 0.000 0.319 224 V C 0.358 176.472 176.094 0.032 0.000 1.103 224 V CA -0.942 61.365 62.300 0.011 0.000 1.016 224 V CB 1.948 33.767 31.823 -0.007 0.000 1.090 224 V HN 0.382 nan 8.190 nan 0.000 0.449 225 S N 0.308 116.043 115.700 0.057 0.000 2.669 225 S HA 0.482 5.824 4.470 1.454 0.000 0.270 225 S C 0.216 174.830 174.600 0.024 0.000 1.225 225 S CA -0.723 57.501 58.200 0.041 0.000 0.991 225 S CB 0.511 63.743 63.200 0.053 0.000 0.987 225 S HN 0.727 nan 8.310 nan 0.000 0.552 226 R N 1.419 121.925 120.500 0.010 0.000 2.441 226 R HA 0.448 5.661 4.340 1.454 0.000 0.300 226 R C 0.482 176.773 176.300 -0.014 0.000 1.284 226 R CA -0.180 55.911 56.100 -0.015 0.000 1.069 226 R CB -0.310 29.979 30.300 -0.018 0.000 1.087 226 R HN 0.732 nan 8.270 nan 0.000 0.519 227 G N 1.508 110.289 108.800 -0.032 0.000 2.348 227 G HA2 0.086 4.918 3.960 1.454 0.000 0.296 227 G HA3 0.086 4.918 3.960 1.454 0.000 0.296 227 G C -1.787 173.083 174.900 -0.051 0.000 1.258 227 G CA -1.009 44.075 45.100 -0.025 0.000 0.868 227 G HN 0.373 nan 8.290 nan 0.000 0.488 228 W N 0.359 121.693 121.300 0.057 0.000 2.266 228 W HA 0.511 6.043 4.660 1.454 0.000 0.317 228 W C 0.128 176.701 176.519 0.089 0.000 1.310 228 W CA -0.059 57.327 57.345 0.069 0.000 1.207 228 W CB 1.483 30.978 29.460 0.059 0.000 1.199 228 W HN 0.211 nan 8.180 nan 0.000 0.544 229 V N 4.689 124.820 119.914 0.363 0.000 2.540 229 V HA 0.436 5.429 4.120 1.454 0.000 0.302 229 V C -0.195 176.079 176.094 0.300 0.000 1.035 229 V CA -1.453 61.019 62.300 0.287 0.000 0.873 229 V CB 1.531 33.469 31.823 0.191 0.000 0.992 229 V HN 0.447 nan 8.190 nan 0.000 0.428 230 R N 4.408 125.070 120.500 0.270 0.000 2.255 230 R HA 0.690 5.902 4.340 1.454 0.000 0.326 230 R C -1.482 174.947 176.300 0.215 0.000 0.986 230 R CA -0.503 55.729 56.100 0.221 0.000 0.847 230 R CB 0.828 31.233 30.300 0.176 0.000 1.111 230 R HN 0.723 nan 8.270 nan 0.000 0.452 231 L N 5.448 126.773 121.223 0.170 0.000 2.325 231 L HA 0.514 5.727 4.340 1.454 0.000 0.281 231 L C -0.042 176.883 176.870 0.093 0.000 1.004 231 L CA -0.796 54.125 54.840 0.137 0.000 0.823 231 L CB 1.974 44.088 42.059 0.092 0.000 1.236 231 L HN 0.559 nan 8.230 nan 0.000 0.415 232 R N 4.605 125.156 120.500 0.084 0.000 2.287 232 R HA 0.457 5.669 4.340 1.454 0.000 0.327 232 R C -0.798 175.512 176.300 0.016 0.000 1.109 232 R CA -0.485 55.645 56.100 0.049 0.000 1.013 232 R CB 0.504 30.841 30.300 0.061 0.000 1.126 232 R HN 0.499 nan 8.270 nan 0.000 0.503 233 L N 3.808 125.025 121.223 -0.009 0.000 2.397 233 L HA 0.440 5.653 4.340 1.454 0.000 0.271 233 L C -0.294 176.522 176.870 -0.090 0.000 1.148 233 L CA -0.711 54.099 54.840 -0.050 0.000 0.825 233 L CB 0.454 42.481 42.059 -0.054 0.000 1.117 233 L HN 0.336 nan 8.230 nan 0.000 0.456 234 L N 2.945 124.085 121.223 -0.138 0.000 2.543 234 L HA 0.444 5.657 4.340 1.454 0.000 0.265 234 L C -1.029 175.682 176.870 -0.266 0.000 0.945 234 L CA -0.362 54.334 54.840 -0.240 0.000 0.869 234 L CB 1.811 43.707 42.059 -0.271 0.000 1.294 234 L HN 0.494 nan 8.230 nan 0.000 0.405 235 N N 3.901 122.425 118.700 -0.293 0.000 2.462 235 N HA 0.549 6.162 4.740 1.454 0.000 0.242 235 N C -0.168 175.137 175.510 -0.340 0.000 1.010 235 N CA 0.362 53.306 53.050 -0.176 0.000 0.939 235 N CB 1.601 40.087 38.487 -0.001 0.000 1.127 235 N HN 0.766 nan 8.380 nan 0.000 0.509 236 A N 2.393 125.065 122.820 -0.247 0.000 2.708 236 A HA 0.290 5.482 4.320 1.454 0.000 0.293 236 A C 0.255 177.849 177.584 0.017 0.000 1.303 236 A CA -0.434 51.469 52.037 -0.223 0.000 0.949 236 A CB -0.166 18.758 19.000 -0.128 0.000 1.121 236 A HN 0.481 nan 8.150 nan 0.000 0.542 237 S N -0.197 115.551 115.700 0.081 0.000 2.632 237 S HA 0.160 5.502 4.470 1.454 0.000 0.271 237 S C 1.057 175.756 174.600 0.165 0.000 1.260 237 S CA -0.470 57.840 58.200 0.184 0.000 1.010 237 S CB 0.959 64.308 63.200 0.247 0.000 0.965 237 S HN 0.580 nan 8.310 nan 0.000 0.534 238 N N 1.124 119.958 118.700 0.224 0.000 2.244 238 N HA -0.078 5.535 4.740 1.454 0.000 0.183 238 N C 1.381 177.000 175.510 0.182 0.000 1.016 238 N CA 1.362 54.531 53.050 0.199 0.000 0.866 238 N CB 0.126 38.768 38.487 0.257 0.000 0.980 238 N HN 0.640 nan 8.380 nan 0.000 0.430 239 S N -2.249 113.559 115.700 0.178 0.000 2.462 239 S HA 0.082 5.425 4.470 1.454 0.000 0.269 239 S C 0.393 175.045 174.600 0.086 0.000 1.005 239 S CA -0.623 57.669 58.200 0.153 0.000 1.260 239 S CB 0.117 63.410 63.200 0.155 0.000 0.990 239 S HN 0.108 nan 8.310 nan 0.000 0.477 240 R N 2.550 123.045 120.500 -0.007 0.000 2.585 240 R HA 0.194 5.407 4.340 1.454 0.000 0.275 240 R C -0.103 175.919 176.300 -0.463 0.000 1.018 240 R CA 0.067 56.024 56.100 -0.238 0.000 1.072 240 R CB 0.369 30.476 30.300 -0.323 0.000 0.953 240 R HN 0.504 nan 8.270 nan 0.000 0.419 241 R N 4.168 124.342 120.500 -0.544 0.000 2.494 241 R HA 0.233 5.446 4.340 1.454 0.000 0.305 241 R C -1.496 174.434 176.300 -0.618 0.000 0.959 241 R CA -0.572 55.179 56.100 -0.582 0.000 0.864 241 R CB 0.845 30.681 30.300 -0.773 0.000 1.159 241 R HN 0.530 nan 8.270 nan 0.000 0.446 242 Y N 1.717 121.908 120.300 -0.182 0.000 2.420 242 Y HA 0.321 5.743 4.550 1.453 0.000 0.334 242 Y C -0.103 175.702 175.900 -0.160 0.000 1.094 242 Y CA -0.892 57.123 58.100 -0.141 0.000 1.126 242 Y CB 1.854 40.257 38.460 -0.094 0.000 1.217 242 Y HN 0.492 nan 8.280 nan 0.000 0.462 243 Q N 2.521 122.335 119.800 0.023 0.000 2.454 243 Q HA 0.492 5.704 4.340 1.454 0.000 0.255 243 Q C -1.523 174.465 176.000 -0.021 0.000 1.034 243 Q CA -0.227 55.550 55.803 -0.043 0.000 0.736 243 Q CB 0.613 29.300 28.738 -0.084 0.000 1.210 243 Q HN 0.634 nan 8.270 nan 0.000 0.500 244 L N 2.486 123.691 121.223 -0.030 0.000 2.439 244 L HA 0.571 5.784 4.340 1.454 0.000 0.259 244 L C 0.101 176.941 176.870 -0.050 0.000 1.129 244 L CA -0.609 54.208 54.840 -0.038 0.000 0.803 244 L CB 0.708 42.737 42.059 -0.050 0.000 1.161 244 L HN 0.574 nan 8.230 nan 0.000 0.462 245 Q N 0.943 120.716 119.800 -0.046 0.000 2.776 245 Q HA 0.329 5.542 4.340 1.454 0.000 0.289 245 Q C -1.934 174.041 176.000 -0.043 0.000 0.912 245 Q CA -0.932 54.843 55.803 -0.048 0.000 0.789 245 Q CB 1.489 30.200 28.738 -0.045 0.000 1.498 245 Q HN 0.372 nan 8.270 nan 0.000 0.408 246 M N 3.238 122.811 119.600 -0.045 0.000 2.211 246 M HA 0.148 5.500 4.480 1.454 0.000 0.356 246 M C 1.044 177.324 176.300 -0.034 0.000 1.216 246 M CA -0.178 55.097 55.300 -0.041 0.000 1.134 246 M CB 0.120 32.692 32.600 -0.046 0.000 1.564 246 M HN 0.804 nan 8.290 nan 0.000 0.463 247 N N 1.836 120.518 118.700 -0.030 0.000 2.609 247 N HA -0.157 5.455 4.740 1.454 0.000 0.190 247 N C 0.310 175.805 175.510 -0.025 0.000 1.157 247 N CA 0.813 53.848 53.050 -0.025 0.000 0.918 247 N CB -0.334 38.139 38.487 -0.023 0.000 0.978 247 N HN 0.607 nan 8.380 nan 0.000 0.448 248 D N -2.288 118.095 120.400 -0.028 0.000 2.433 248 D HA 0.167 5.680 4.640 1.454 0.000 0.211 248 D C 1.202 177.486 176.300 -0.025 0.000 1.114 248 D CA 0.407 54.391 54.000 -0.027 0.000 0.837 248 D CB -0.166 40.616 40.800 -0.030 0.000 0.984 248 D HN 0.222 nan 8.370 nan 0.000 0.505 249 G N 1.797 110.580 108.800 -0.027 0.000 2.253 249 G HA2 -0.358 4.475 3.960 1.454 0.000 0.251 249 G HA3 -0.358 4.475 3.960 1.454 0.000 0.251 249 G C 0.485 175.367 174.900 -0.030 0.000 0.998 249 G CA 0.255 45.340 45.100 -0.025 0.000 0.621 249 G HN 0.770 nan 8.290 nan 0.000 0.524 250 R N 1.764 122.243 120.500 -0.035 0.000 2.697 250 R HA 0.382 5.595 4.340 1.454 0.000 0.265 250 R C -1.351 174.909 176.300 -0.067 0.000 1.009 250 R CA -0.164 55.911 56.100 -0.041 0.000 1.099 250 R CB -0.074 30.198 30.300 -0.045 0.000 0.965 250 R HN 0.286 nan 8.270 nan 0.000 0.428 251 P HA 0.042 nan 4.420 nan 0.000 0.285 251 P C -0.911 176.235 177.300 -0.256 0.000 1.282 251 P CA -0.310 62.714 63.100 -0.127 0.000 0.778 251 P CB 0.408 32.057 31.700 -0.085 0.000 1.222 252 L N -0.207 120.815 121.223 -0.336 0.000 2.639 252 L HA 0.301 5.513 4.340 1.454 0.000 0.264 252 L C -1.012 175.695 176.870 -0.273 0.000 0.948 252 L CA -0.360 54.292 54.840 -0.314 0.000 0.912 252 L CB 0.926 42.905 42.059 -0.133 0.000 1.294 252 L HN 0.323 nan 8.230 nan 0.000 0.412 253 H N 5.092 124.239 119.070 0.128 0.000 2.846 253 H HA 0.373 5.802 4.556 1.454 0.000 0.278 253 H C -0.371 175.010 175.328 0.088 0.000 1.117 253 H CA -0.442 55.675 56.048 0.114 0.000 1.406 253 H CB 0.758 30.609 29.762 0.148 0.000 1.445 253 H HN 0.337 nan 8.280 nan 0.000 0.469 254 V N 5.799 125.803 119.914 0.150 0.000 2.546 254 V HA 0.064 5.057 4.120 1.454 0.000 0.284 254 V C 1.668 177.838 176.094 0.125 0.000 1.050 254 V CA -0.191 62.177 62.300 0.113 0.000 0.981 254 V CB 1.069 32.937 31.823 0.076 0.000 0.990 254 V HN 0.802 nan 8.190 nan 0.000 0.474 255 I N 0.405 121.057 120.570 0.136 0.000 4.439 255 I HA 0.493 5.536 4.170 1.454 0.000 0.331 255 I C 0.385 176.629 176.117 0.213 0.000 1.345 255 I CA 0.118 61.531 61.300 0.188 0.000 1.193 255 I CB 0.809 38.947 38.000 0.229 0.000 1.221 255 I HN 0.497 nan 8.210 nan 0.000 0.429 256 S N 0.299 116.063 115.700 0.108 0.000 2.611 256 S HA 0.787 6.130 4.470 1.454 0.000 0.268 256 S C -0.385 174.232 174.600 0.029 0.000 1.156 256 S CA -0.259 57.961 58.200 0.034 0.000 0.817 256 S CB 1.818 64.959 63.200 -0.099 0.000 1.122 256 S HN 0.653 nan 8.310 nan 0.000 0.466 257 G N 1.322 110.134 108.800 0.020 0.000 2.244 257 G HA2 0.079 4.911 3.960 1.454 0.000 0.236 257 G HA3 0.079 4.911 3.960 1.454 0.000 0.236 257 G C -0.296 174.601 174.900 -0.005 0.000 1.632 257 G CA -0.514 44.592 45.100 0.011 0.000 1.231 257 G HN 0.546 nan 8.290 nan 0.000 0.635 258 D N 0.299 120.711 120.400 0.019 0.000 2.116 258 D HA -0.088 5.425 4.640 1.454 0.000 0.193 258 D C 2.053 178.357 176.300 0.007 0.000 0.998 258 D CA 1.387 55.398 54.000 0.018 0.000 0.836 258 D CB 0.386 41.196 40.800 0.017 0.000 0.951 258 D HN 0.495 nan 8.370 nan 0.000 0.449 259 Q N -0.715 119.097 119.800 0.019 0.000 2.172 259 Q HA 0.434 5.647 4.340 1.454 0.000 0.217 259 Q C 0.357 176.378 176.000 0.036 0.000 0.832 259 Q CA -0.087 55.724 55.803 0.012 0.000 1.010 259 Q CB 1.655 30.394 28.738 0.001 0.000 1.133 259 Q HN 0.216 nan 8.270 nan 0.000 0.489 260 G N 0.145 108.943 108.800 -0.002 0.000 2.359 260 G HA2 0.029 4.862 3.960 1.454 0.000 0.314 260 G HA3 0.029 4.862 3.960 1.454 0.000 0.314 260 G C -1.151 173.727 174.900 -0.037 0.000 1.364 260 G CA -1.160 43.910 45.100 -0.050 0.000 0.978 260 G HN 0.048 nan 8.290 nan 0.000 0.615 261 F N -0.066 119.933 119.950 0.082 0.000 2.545 261 F HA 0.447 5.848 4.527 1.456 0.000 0.348 261 F C 1.503 177.338 175.800 0.059 0.000 1.163 261 F CA -0.012 58.024 58.000 0.059 0.000 1.331 261 F CB 0.404 39.430 39.000 0.045 0.000 1.138 261 F HN 0.295 nan 8.300 nan 0.000 0.602 262 L N 3.266 124.642 121.223 0.255 0.000 2.439 262 L HA 0.225 5.437 4.340 1.454 0.000 0.259 262 L C -1.468 175.468 176.870 0.111 0.000 1.129 262 L CA -1.627 53.294 54.840 0.135 0.000 0.803 262 L CB 0.436 42.555 42.059 0.100 0.000 1.161 262 L HN 0.378 nan 8.230 nan 0.000 0.462 263 P HA -0.127 nan 4.420 nan 0.000 0.216 263 P C -0.484 176.826 177.300 0.016 0.000 1.150 263 P CA 1.136 64.255 63.100 0.030 0.000 0.843 263 P CB 0.261 31.965 31.700 0.006 0.000 0.787 264 A N -3.269 119.565 122.820 0.023 0.000 2.605 264 A HA 0.558 5.750 4.320 1.454 0.000 0.294 264 A C -2.993 174.607 177.584 0.028 0.000 1.062 264 A CA -1.488 50.553 52.037 0.007 0.000 0.682 264 A CB 0.175 19.173 19.000 -0.003 0.000 1.278 264 A HN -0.269 nan 8.150 nan 0.000 0.410 265 P HA 0.232 nan 4.420 nan 0.000 0.266 265 P C -0.705 176.639 177.300 0.073 0.000 1.186 265 P CA 0.196 63.322 63.100 0.044 0.000 0.767 265 P CB 0.430 32.128 31.700 -0.003 0.000 0.820 266 V N 3.027 123.004 119.914 0.104 0.000 2.443 266 V HA 0.205 5.198 4.120 1.454 0.000 0.293 266 V C -0.100 176.071 176.094 0.127 0.000 1.021 266 V CA -0.325 62.036 62.300 0.103 0.000 0.848 266 V CB 1.664 33.540 31.823 0.088 0.000 0.998 266 V HN 0.419 nan 8.190 nan 0.000 0.424 267 S N 4.451 120.235 115.700 0.141 0.000 2.430 267 S HA 0.658 6.001 4.470 1.454 0.000 0.289 267 S C -0.111 174.518 174.600 0.049 0.000 1.143 267 S CA -0.507 57.770 58.200 0.128 0.000 1.067 267 S CB 1.339 64.667 63.200 0.213 0.000 0.964 267 S HN 0.849 nan 8.310 nan 0.000 0.485 268 V N 1.958 121.869 119.914 -0.006 0.000 3.040 268 V HA 0.596 5.589 4.120 1.454 0.000 0.312 268 V C 0.198 176.261 176.094 -0.053 0.000 1.115 268 V CA -0.979 61.307 62.300 -0.024 0.000 0.998 268 V CB 1.929 33.728 31.823 -0.040 0.000 1.042 268 V HN 0.673 nan 8.190 nan 0.000 0.433 269 K N 0.526 120.895 120.400 -0.050 0.000 2.099 269 K HA 0.254 5.446 4.320 1.454 0.000 0.203 269 K C 0.789 177.347 176.600 -0.069 0.000 1.047 269 K CA 0.742 56.998 56.287 -0.053 0.000 0.963 269 K CB 0.172 32.651 32.500 -0.035 0.000 0.759 269 K HN 0.753 nan 8.250 nan 0.000 0.451 270 Q N 0.525 120.270 119.800 -0.093 0.000 2.348 270 Q HA 0.461 5.673 4.340 1.454 0.000 0.271 270 Q C -1.862 174.051 176.000 -0.145 0.000 1.067 270 Q CA -0.848 54.888 55.803 -0.110 0.000 0.839 270 Q CB 1.639 30.306 28.738 -0.117 0.000 1.354 270 Q HN -0.050 nan 8.270 nan 0.000 0.447 271 L N 1.556 122.705 121.223 -0.124 0.000 2.406 271 L HA 0.446 5.659 4.340 1.454 0.000 0.272 271 L C -1.065 175.734 176.870 -0.119 0.000 0.980 271 L CA -0.006 54.760 54.840 -0.123 0.000 0.831 271 L CB 2.050 44.063 42.059 -0.077 0.000 1.253 271 L HN 0.553 nan 8.230 nan 0.000 0.406 272 S N 4.881 120.492 115.700 -0.148 0.000 2.499 272 S HA 0.694 6.037 4.470 1.454 0.000 0.279 272 S C -0.855 173.691 174.600 -0.090 0.000 1.219 272 S CA -0.401 57.712 58.200 -0.145 0.000 1.062 272 S CB 0.569 63.659 63.200 -0.183 0.000 0.978 272 S HN 0.585 nan 8.310 nan 0.000 0.489 273 L N 5.327 126.503 121.223 -0.078 0.000 2.485 273 L HA 0.697 5.909 4.340 1.454 0.000 0.260 273 L C -0.013 176.842 176.870 -0.025 0.000 0.998 273 L CA -0.010 54.818 54.840 -0.021 0.000 0.883 273 L CB 0.973 43.040 42.059 0.014 0.000 1.196 273 L HN 0.847 nan 8.230 nan 0.000 0.443 274 A N 5.460 128.266 122.820 -0.025 0.000 2.287 274 A HA 0.783 5.976 4.320 1.454 0.000 0.273 274 A C -2.483 175.142 177.584 0.069 0.000 1.091 274 A CA -1.374 50.673 52.037 0.018 0.000 0.817 274 A CB -0.252 18.895 19.000 0.244 0.000 1.069 274 A HN 0.547 nan 8.150 nan 0.000 0.492 275 P HA 0.229 nan 4.420 nan 0.000 0.264 275 P C 0.968 178.290 177.300 0.037 0.000 1.193 275 P CA 2.026 65.162 63.100 0.060 0.000 0.763 275 P CB 0.580 32.354 31.700 0.122 0.000 0.810 276 G N 1.717 110.418 108.800 -0.165 0.000 2.225 276 G HA2 -0.240 4.593 3.960 1.454 0.000 0.254 276 G HA3 -0.240 4.593 3.960 1.454 0.000 0.254 276 G C 0.170 174.969 174.900 -0.167 0.000 0.988 276 G CA -0.262 44.745 45.100 -0.155 0.000 0.625 276 G HN 0.544 nan 8.290 nan 0.000 0.527 277 E N 0.512 120.649 120.200 -0.105 0.000 2.349 277 E HA 0.560 5.782 4.350 1.454 0.000 0.265 277 E C 0.425 176.942 176.600 -0.138 0.000 1.064 277 E CA -0.165 56.208 56.400 -0.044 0.000 0.886 277 E CB 0.574 30.294 29.700 0.034 0.000 1.036 277 E HN 0.477 nan 8.360 nan 0.000 0.413 278 R N 1.989 122.445 120.500 -0.074 0.000 2.673 278 R HA 0.560 5.772 4.340 1.454 0.000 0.281 278 R C -0.467 175.814 176.300 -0.031 0.000 0.991 278 R CA -0.787 55.264 56.100 -0.083 0.000 0.896 278 R CB 2.164 32.416 30.300 -0.080 0.000 1.201 278 R HN 0.350 nan 8.270 nan 0.000 0.457 279 R N 1.300 121.783 120.500 -0.029 0.000 2.584 279 R HA 0.226 5.438 4.340 1.454 0.000 0.276 279 R C -1.199 175.104 176.300 0.005 0.000 1.046 279 R CA -0.817 55.280 56.100 -0.005 0.000 0.906 279 R CB 2.914 33.215 30.300 0.001 0.000 1.215 279 R HN 0.582 nan 8.270 nan 0.000 0.449 280 E N 3.478 123.691 120.200 0.021 0.000 2.156 280 E HA 0.366 5.589 4.350 1.454 0.000 0.279 280 E C -0.442 176.208 176.600 0.083 0.000 0.965 280 E CA -0.539 55.890 56.400 0.048 0.000 0.789 280 E CB 1.641 31.364 29.700 0.040 0.000 1.098 280 E HN 0.395 nan 8.360 nan 0.000 0.397 281 I N -0.061 120.567 120.570 0.096 0.000 2.740 281 I HA 0.510 5.552 4.170 1.454 0.000 0.303 281 I C -1.059 175.167 176.117 0.182 0.000 1.044 281 I CA -1.090 60.285 61.300 0.125 0.000 1.064 281 I CB 1.382 39.433 38.000 0.085 0.000 1.249 281 I HN 0.299 nan 8.210 nan 0.000 0.433 282 L N 5.479 126.859 121.223 0.261 0.000 2.296 282 L HA 0.649 5.861 4.340 1.454 0.000 0.286 282 L C -0.799 176.424 176.870 0.589 0.000 1.023 282 L CA -1.012 54.062 54.840 0.390 0.000 0.812 282 L CB 1.912 44.120 42.059 0.248 0.000 1.223 282 L HN 0.458 nan 8.230 nan 0.000 0.421 283 V N 1.303 121.519 119.914 0.503 0.000 2.495 283 V HA 0.254 5.246 4.120 1.454 0.000 0.298 283 V C -0.537 175.576 176.094 0.032 0.000 1.031 283 V CA -0.690 61.776 62.300 0.276 0.000 0.871 283 V CB 2.098 33.989 31.823 0.113 0.000 0.988 283 V HN 0.597 nan 8.190 nan 0.000 0.432 284 D N 5.106 125.261 120.400 -0.408 0.000 2.411 284 D HA 0.305 5.818 4.640 1.454 0.000 0.225 284 D C 0.259 176.307 176.300 -0.419 0.000 1.156 284 D CA -0.362 53.090 54.000 -0.913 0.000 0.874 284 D CB 0.964 40.963 40.800 -1.335 0.000 1.034 284 D HN 0.309 nan 8.370 nan 0.000 0.502 285 M N 2.781 122.206 119.600 -0.292 0.000 3.007 285 M HA 0.119 5.471 4.480 1.454 0.000 0.288 285 M C 0.982 177.192 176.300 -0.150 0.000 1.246 285 M CA -0.149 55.054 55.300 -0.163 0.000 1.040 285 M CB -0.059 32.489 32.600 -0.086 0.000 1.254 285 M HN 0.160 nan 8.290 nan 0.000 0.517 286 S N 0.828 116.406 115.700 -0.202 0.000 2.421 286 S HA -0.024 5.318 4.470 1.454 0.000 0.224 286 S C 1.752 176.295 174.600 -0.096 0.000 1.035 286 S CA 0.517 58.631 58.200 -0.143 0.000 0.953 286 S CB 0.025 63.123 63.200 -0.171 0.000 0.810 286 S HN 0.540 nan 8.310 nan 0.000 0.497 287 N N 1.072 119.712 118.700 -0.100 0.000 2.258 287 N HA -0.132 5.480 4.740 1.454 0.000 0.187 287 N C 1.416 176.893 175.510 -0.054 0.000 1.012 287 N CA 1.553 54.563 53.050 -0.068 0.000 0.870 287 N CB -0.341 38.107 38.487 -0.065 0.000 0.977 287 N HN 0.558 nan 8.380 nan 0.000 0.434 288 G N -0.106 108.658 108.800 -0.059 0.000 2.308 288 G HA2 -0.261 4.571 3.960 1.454 0.000 0.221 288 G HA3 -0.261 4.571 3.960 1.454 0.000 0.221 288 G C -0.182 174.692 174.900 -0.044 0.000 1.032 288 G CA 0.372 45.444 45.100 -0.046 0.000 0.623 288 G HN 0.656 nan 8.290 nan 0.000 0.506 289 D N 1.735 122.108 120.400 -0.045 0.000 2.389 289 D HA 0.329 5.841 4.640 1.454 0.000 0.247 289 D C 0.241 176.514 176.300 -0.044 0.000 1.128 289 D CA -0.064 53.911 54.000 -0.042 0.000 0.884 289 D CB 0.939 41.717 40.800 -0.037 0.000 1.194 289 D HN 0.472 nan 8.370 nan 0.000 0.441 290 E N 0.902 121.076 120.200 -0.042 0.000 2.465 290 E HA 0.174 5.396 4.350 1.454 0.000 0.260 290 E C -0.990 175.586 176.600 -0.039 0.000 0.980 290 E CA -0.063 56.312 56.400 -0.041 0.000 0.927 290 E CB 0.840 30.514 29.700 -0.044 0.000 0.934 290 E HN 0.321 nan 8.360 nan 0.000 0.459 291 V N 3.338 123.229 119.914 -0.038 0.000 2.789 291 V HA 0.488 5.480 4.120 1.454 0.000 0.311 291 V C -1.136 174.938 176.094 -0.033 0.000 1.073 291 V CA -0.369 61.909 62.300 -0.037 0.000 0.921 291 V CB 2.495 34.293 31.823 -0.042 0.000 1.009 291 V HN 0.702 nan 8.190 nan 0.000 0.426 292 S N 6.043 121.725 115.700 -0.030 0.000 2.536 292 S HA 0.694 6.037 4.470 1.454 0.000 0.298 292 S C -0.676 173.905 174.600 -0.031 0.000 1.083 292 S CA -0.526 57.658 58.200 -0.027 0.000 0.995 292 S CB 1.774 64.962 63.200 -0.020 0.000 1.058 292 S HN 0.637 nan 8.310 nan 0.000 0.488 293 I N 2.682 123.231 120.570 -0.035 0.000 2.353 293 I HA 0.383 5.426 4.170 1.454 0.000 0.293 293 I C 0.562 176.656 176.117 -0.039 0.000 0.992 293 I CA -0.175 61.101 61.300 -0.041 0.000 1.268 293 I CB 1.384 39.353 38.000 -0.050 0.000 1.387 293 I HN 0.693 nan 8.210 nan 0.000 0.478 294 T N 2.273 116.807 114.554 -0.034 0.000 2.926 294 T HA 0.727 5.950 4.350 1.454 0.000 0.289 294 T C -0.226 174.462 174.700 -0.020 0.000 1.054 294 T CA -0.835 61.251 62.100 -0.024 0.000 1.015 294 T CB 1.739 70.597 68.868 -0.017 0.000 1.167 294 T HN 0.764 nan 8.240 nan 0.000 0.526 315 L N 3.962 125.189 121.223 0.007 0.000 2.325 315 L HA 0.424 5.636 4.340 1.454 0.000 0.279 315 L C 1.268 178.152 176.870 0.023 0.000 1.054 315 L CA -0.664 54.192 54.840 0.027 0.000 0.804 315 L CB 1.613 43.702 42.059 0.051 0.000 1.200 315 L HN 0.635 nan 8.230 nan 0.000 0.436 316 V N -0.698 119.233 119.914 0.028 0.000 2.427 316 V HA -0.040 4.953 4.120 1.454 0.000 0.248 316 V C 0.870 176.979 176.094 0.024 0.000 1.051 316 V CA 1.061 63.375 62.300 0.024 0.000 1.048 316 V CB 0.129 31.968 31.823 0.028 0.000 0.666 316 V HN 0.677 nan 8.190 nan 0.000 0.456 317 S N -0.225 115.494 115.700 0.032 0.000 2.547 317 S HA 0.533 5.875 4.470 1.454 0.000 0.281 317 S C 0.538 175.157 174.600 0.031 0.000 1.118 317 S CA 0.139 58.355 58.200 0.028 0.000 0.947 317 S CB 1.892 65.110 63.200 0.029 0.000 1.053 317 S HN 0.749 nan 8.310 nan 0.000 0.482 318 T N 2.205 116.772 114.554 0.022 0.000 3.122 318 T HA 0.262 5.484 4.350 1.454 0.000 0.250 318 T C 0.329 175.034 174.700 0.009 0.000 1.067 318 T CA -0.144 61.968 62.100 0.022 0.000 0.966 318 T CB -0.308 68.569 68.868 0.016 0.000 1.002 318 T HN 0.383 nan 8.240 nan 0.000 0.542 319 L N 2.128 123.355 121.223 0.007 0.000 2.281 319 L HA 0.474 5.687 4.340 1.454 0.000 0.285 319 L C 0.876 177.740 176.870 -0.011 0.000 1.074 319 L CA -0.092 54.746 54.840 -0.002 0.000 0.817 319 L CB 1.000 43.062 42.059 0.004 0.000 1.168 319 L HN -0.014 nan 8.230 nan 0.000 0.434 320 V N 5.034 124.929 119.914 -0.032 0.000 2.391 320 V HA 0.210 5.202 4.120 1.454 0.000 0.237 320 V C 0.105 176.173 176.094 -0.043 0.000 1.046 320 V CA 0.681 62.946 62.300 -0.058 0.000 1.053 320 V CB -0.027 31.737 31.823 -0.099 0.000 0.704 320 V HN 0.700 nan 8.190 nan 0.000 0.475 321 L N -0.695 120.503 121.223 -0.042 0.000 2.472 321 L HA 0.654 5.866 4.340 1.454 0.000 0.260 321 L C -0.918 175.936 176.870 -0.027 0.000 0.963 321 L CA 0.092 54.910 54.840 -0.038 0.000 0.829 321 L CB 2.244 44.265 42.059 -0.064 0.000 1.348 321 L HN 0.112 nan 8.230 nan 0.000 0.408 322 T N 4.875 119.428 114.554 -0.003 0.000 2.797 322 T HA 0.700 5.923 4.350 1.454 0.000 0.279 322 T C -0.778 173.925 174.700 0.004 0.000 0.991 322 T CA -0.240 61.867 62.100 0.011 0.000 0.979 322 T CB 1.101 69.994 68.868 0.043 0.000 0.943 322 T HN 0.389 nan 8.240 nan 0.000 0.444 323 L N 4.393 125.602 121.223 -0.023 0.000 2.287 323 L HA 0.554 5.766 4.340 1.454 0.000 0.287 323 L C 0.451 177.309 176.870 -0.020 0.000 1.022 323 L CA -0.477 54.338 54.840 -0.043 0.000 0.814 323 L CB 0.895 42.918 42.059 -0.061 0.000 1.217 323 L HN 0.592 nan 8.230 nan 0.000 0.420 324 R N 2.418 122.919 120.500 0.001 0.000 2.451 324 R HA 0.649 5.862 4.340 1.454 0.000 0.307 324 R C -2.893 173.404 176.300 -0.006 0.000 0.965 324 R CA -1.954 54.142 56.100 -0.006 0.000 0.865 324 R CB 1.082 31.372 30.300 -0.015 0.000 1.174 324 R HN 0.198 nan 8.270 nan 0.000 0.455 325 P HA -0.031 nan 4.420 nan 0.000 0.265 325 P C -0.189 177.108 177.300 -0.005 0.000 1.193 325 P CA 0.237 63.329 63.100 -0.014 0.000 0.765 325 P CB 0.874 32.559 31.700 -0.024 0.000 0.823 326 T N 1.097 115.655 114.554 0.007 0.000 3.390 326 T HA 0.629 5.851 4.350 1.454 0.000 0.351 326 T C 0.362 175.069 174.700 0.011 0.000 1.759 326 T CA 0.038 62.145 62.100 0.012 0.000 1.561 326 T CB -0.744 68.141 68.868 0.028 0.000 1.011 326 T HN 0.693 nan 8.240 nan 0.000 0.689 327 G N 2.576 111.378 108.800 0.003 0.000 2.384 327 G HA2 0.060 4.893 3.960 1.454 0.000 0.200 327 G HA3 0.060 4.893 3.960 1.454 0.000 0.200 327 G C -0.834 174.068 174.900 0.003 0.000 1.205 327 G CA -0.606 44.497 45.100 0.004 0.000 1.116 327 G HN 0.668 nan 8.290 nan 0.000 0.547 328 L N 0.606 121.834 121.223 0.007 0.000 2.394 328 L HA 0.460 5.673 4.340 1.454 0.000 0.229 328 L C 1.614 178.489 176.870 0.008 0.000 1.225 328 L CA 0.043 54.887 54.840 0.007 0.000 0.829 328 L CB -0.260 41.805 42.059 0.010 0.000 1.195 328 L HN 0.597 nan 8.230 nan 0.000 0.548 329 L N 0.276 121.504 121.223 0.009 0.000 2.578 329 L HA 0.384 5.597 4.340 1.454 0.000 0.259 329 L C -1.182 175.700 176.870 0.020 0.000 1.082 329 L CA -1.093 53.752 54.840 0.010 0.000 0.843 329 L CB -0.383 41.679 42.059 0.005 0.000 1.535 329 L HN 0.497 nan 8.230 nan 0.000 0.510 330 P HA 0.136 nan 4.420 nan 0.000 0.200 330 P C -0.036 177.285 177.300 0.035 0.000 1.198 330 P CA 0.668 63.790 63.100 0.038 0.000 0.892 330 P CB 0.686 32.415 31.700 0.049 0.000 0.724 331 L N -1.862 119.380 121.223 0.033 0.000 2.341 331 L HA 0.435 5.647 4.340 1.454 0.000 0.254 331 L C -0.436 176.456 176.870 0.036 0.000 1.040 331 L CA -1.103 53.757 54.840 0.033 0.000 0.837 331 L CB 2.768 44.841 42.059 0.023 0.000 1.425 331 L HN -0.266 nan 8.230 nan 0.000 0.414 332 V N 0.958 120.895 119.914 0.039 0.000 2.219 332 V HA 0.237 5.229 4.120 1.454 0.000 0.267 332 V C 0.059 176.192 176.094 0.064 0.000 1.266 332 V CA -0.184 62.142 62.300 0.043 0.000 1.270 332 V CB 0.375 32.219 31.823 0.035 0.000 1.356 332 V HN 0.826 nan 8.190 nan 0.000 0.490 333 T N 3.238 117.840 114.554 0.079 0.000 2.908 333 T HA 0.014 5.237 4.350 1.454 0.000 0.325 333 T C 0.011 174.826 174.700 0.192 0.000 1.092 333 T CA -0.044 62.128 62.100 0.121 0.000 1.125 333 T CB -0.024 68.921 68.868 0.129 0.000 1.016 333 T HN 0.699 nan 8.240 nan 0.000 0.550 334 D N 2.535 123.057 120.400 0.204 0.000 3.434 334 D HA -0.014 5.499 4.640 1.454 0.000 0.215 334 D C 0.713 177.178 176.300 0.275 0.000 1.157 334 D CA 0.395 54.502 54.000 0.177 0.000 0.785 334 D CB -0.060 40.766 40.800 0.043 0.000 1.164 334 D HN 0.619 nan 8.370 nan 0.000 0.580 335 S N 2.091 117.891 115.700 0.167 0.000 2.593 335 S HA 0.269 5.612 4.470 1.454 0.000 0.269 335 S C 0.699 175.209 174.600 -0.149 0.000 1.334 335 S CA -1.095 57.202 58.200 0.161 0.000 1.015 335 S CB 0.873 64.138 63.200 0.109 0.000 0.912 335 S HN 0.394 nan 8.310 nan 0.000 0.541 336 L N 1.946 123.004 121.223 -0.275 0.000 2.559 336 L HA 0.169 5.382 4.340 1.454 0.000 0.282 336 L C -1.840 174.865 176.870 -0.275 0.000 1.232 336 L CA -1.278 53.272 54.840 -0.483 0.000 0.885 336 L CB -0.599 41.189 42.059 -0.452 0.000 1.131 336 L HN 0.545 nan 8.230 nan 0.000 0.498 337 P HA 0.061 nan 4.420 nan 0.000 0.272 337 P C 0.241 177.457 177.300 -0.141 0.000 1.230 337 P CA -0.432 62.560 63.100 -0.180 0.000 0.788 337 P CB 0.644 32.229 31.700 -0.191 0.000 0.949 338 M N 0.625 120.166 119.600 -0.098 0.000 2.394 338 M HA 0.085 5.438 4.480 1.454 0.000 0.266 338 M C 0.151 176.414 176.300 -0.061 0.000 1.098 338 M CA 1.438 56.697 55.300 -0.068 0.000 1.149 338 M CB 0.258 32.829 32.600 -0.048 0.000 1.369 338 M HN 0.175 nan 8.290 nan 0.000 0.450 339 R N -0.896 119.560 120.500 -0.074 0.000 2.548 339 R HA 0.391 5.603 4.340 1.454 0.000 0.280 339 R C -0.327 175.912 176.300 -0.102 0.000 1.061 339 R CA -0.362 55.698 56.100 -0.066 0.000 0.915 339 R CB 1.581 31.853 30.300 -0.047 0.000 1.210 339 R HN 0.167 nan 8.270 nan 0.000 0.442 340 L N 1.740 122.900 121.223 -0.106 0.000 2.194 340 L HA 0.246 5.459 4.340 1.454 0.000 0.197 340 L C 0.688 177.462 176.870 -0.160 0.000 1.106 340 L CA 0.374 55.092 54.840 -0.202 0.000 0.785 340 L CB 0.020 41.961 42.059 -0.196 0.000 0.960 340 L HN 0.351 nan 8.230 nan 0.000 0.465 341 L N 2.774 123.970 121.223 -0.045 0.000 2.477 341 L HA 0.037 5.249 4.340 1.454 0.000 0.272 341 L C -0.887 175.982 176.870 -0.001 0.000 1.157 341 L CA -1.127 53.723 54.840 0.016 0.000 0.889 341 L CB 0.776 42.883 42.059 0.079 0.000 1.158 341 L HN 0.054 nan 8.230 nan 0.000 0.473 342 P HA -0.129 nan 4.420 nan 0.000 0.216 342 P C 0.573 177.880 177.300 0.012 0.000 1.153 342 P CA 1.178 64.278 63.100 -0.001 0.000 0.858 342 P CB 0.232 31.938 31.700 0.010 0.000 0.789 343 T N -0.520 114.053 114.554 0.032 0.000 2.879 343 T HA 0.158 5.381 4.350 1.454 0.000 0.290 343 T C -0.348 174.380 174.700 0.047 0.000 0.993 343 T CA -0.652 61.468 62.100 0.034 0.000 0.975 343 T CB 1.026 69.917 68.868 0.039 0.000 0.981 343 T HN -0.052 nan 8.240 nan 0.000 0.439 344 E N 5.399 125.615 120.200 0.026 0.000 2.705 344 E HA 0.084 5.306 4.350 1.454 0.000 0.272 344 E C 0.643 177.255 176.600 0.020 0.000 1.528 344 E CA -0.356 56.054 56.400 0.016 0.000 1.750 344 E CB -0.564 29.130 29.700 -0.011 0.000 1.439 344 E HN 0.746 nan 8.360 nan 0.000 0.449 345 I N -0.561 120.048 120.570 0.066 0.000 2.792 345 I HA -0.020 5.023 4.170 1.454 0.000 0.284 345 I C -0.054 176.129 176.117 0.110 0.000 1.166 345 I CA 0.071 61.425 61.300 0.090 0.000 1.375 345 I CB -0.021 38.055 38.000 0.127 0.000 1.421 345 I HN 0.053 nan 8.210 nan 0.000 0.544 346 M N 4.985 124.601 119.600 0.027 0.000 2.840 346 M HA 0.620 5.972 4.480 1.454 0.000 0.283 346 M C 0.543 176.804 176.300 -0.064 0.000 1.136 346 M CA -1.104 54.167 55.300 -0.048 0.000 0.857 346 M CB 1.087 33.595 32.600 -0.154 0.000 1.644 346 M HN 0.721 nan 8.290 nan 0.000 0.520 347 A N 0.365 123.061 122.820 -0.208 0.000 2.587 347 A HA 0.453 5.645 4.320 1.454 0.000 0.233 347 A C 0.602 177.736 177.584 -0.749 0.000 1.049 347 A CA 0.717 52.429 52.037 -0.542 0.000 0.754 347 A CB -0.751 18.017 19.000 -0.387 0.000 0.977 347 A HN 0.856 nan 8.150 nan 0.000 0.509 348 G N 0.128 107.993 108.800 -1.559 0.000 2.753 348 G HA2 0.512 5.345 3.960 1.454 0.000 0.285 348 G HA3 0.512 5.345 3.960 1.454 0.000 0.285 348 G C -0.148 174.244 174.900 -0.847 0.000 1.344 348 G CA -0.330 44.113 45.100 -1.094 0.000 1.050 348 G HN 0.801 nan 8.290 nan 0.000 0.532 349 S N 1.744 117.194 115.700 -0.416 0.000 2.548 349 S HA 0.439 5.782 4.470 1.454 0.000 0.277 349 S C -2.044 172.589 174.600 0.054 0.000 1.315 349 S CA -0.615 57.501 58.200 -0.140 0.000 1.050 349 S CB 1.285 64.455 63.200 -0.049 0.000 0.918 349 S HN 0.426 nan 8.310 nan 0.000 0.497 350 P HA 0.311 nan 4.420 nan 0.000 0.282 350 P C 0.264 177.684 177.300 0.199 0.000 1.249 350 P CA -0.467 62.795 63.100 0.269 0.000 0.806 350 P CB 0.687 32.532 31.700 0.241 0.000 0.984 351 I N -0.963 119.740 120.570 0.222 0.000 4.082 351 I HA 0.446 5.489 4.170 1.454 0.000 0.337 351 I C 0.528 176.717 176.117 0.119 0.000 1.352 351 I CA -0.092 61.297 61.300 0.148 0.000 1.097 351 I CB 0.415 38.501 38.000 0.144 0.000 1.048 351 I HN 0.163 nan 8.210 nan 0.000 0.393 352 R N 1.410 122.000 120.500 0.149 0.000 2.594 352 R HA 0.527 5.739 4.340 1.454 0.000 0.265 352 R C -1.307 175.076 176.300 0.138 0.000 1.070 352 R CA -0.187 55.978 56.100 0.108 0.000 0.909 352 R CB 1.976 32.324 30.300 0.081 0.000 1.243 352 R HN 0.328 nan 8.270 nan 0.000 0.455 353 S N 3.246 118.988 115.700 0.070 0.000 2.536 353 S HA 0.732 6.075 4.470 1.454 0.000 0.298 353 S C -0.756 173.809 174.600 -0.058 0.000 1.083 353 S CA -0.973 57.261 58.200 0.057 0.000 0.995 353 S CB 2.004 65.232 63.200 0.047 0.000 1.058 353 S HN 0.600 nan 8.310 nan 0.000 0.488 354 R N 0.905 121.322 120.500 -0.138 0.000 2.867 354 R HA 0.546 5.759 4.340 1.454 0.000 0.268 354 R C -1.779 174.374 176.300 -0.245 0.000 1.014 354 R CA -0.704 55.199 56.100 -0.328 0.000 0.946 354 R CB 1.492 31.292 30.300 -0.833 0.000 1.208 354 R HN 0.806 nan 8.270 nan 0.000 0.477 355 D N 1.243 121.493 120.400 -0.249 0.000 2.440 355 D HA 0.299 5.812 4.640 1.454 0.000 0.252 355 D C -0.799 175.383 176.300 -0.196 0.000 1.180 355 D CA -0.410 53.486 54.000 -0.174 0.000 0.894 355 D CB 0.733 41.465 40.800 -0.114 0.000 1.111 355 D HN 0.206 nan 8.370 nan 0.000 0.544 356 I N 2.383 122.827 120.570 -0.210 0.000 2.321 356 I HA 0.342 5.384 4.170 1.454 0.000 0.291 356 I C 0.196 176.220 176.117 -0.156 0.000 0.998 356 I CA -0.616 60.569 61.300 -0.192 0.000 1.227 356 I CB 0.814 38.654 38.000 -0.266 0.000 1.368 356 I HN 0.261 nan 8.210 nan 0.000 0.466 357 S N 7.018 122.669 115.700 -0.082 0.000 2.519 357 S HA 0.838 6.180 4.470 1.454 0.000 0.309 357 S C -0.206 174.377 174.600 -0.027 0.000 1.100 357 S CA -0.520 57.640 58.200 -0.067 0.000 1.059 357 S CB 0.844 64.018 63.200 -0.045 0.000 1.008 357 S HN 0.446 nan 8.310 nan 0.000 0.478 358 L N 3.301 124.498 121.223 -0.043 0.000 2.535 358 L HA 0.988 6.201 4.340 1.454 0.000 0.259 358 L C 1.155 178.014 176.870 -0.017 0.000 1.263 358 L CA -0.898 53.939 54.840 -0.005 0.000 1.282 358 L CB 0.393 42.459 42.059 0.011 0.000 1.901 358 L HN 0.775 nan 8.230 nan 0.000 0.572 359 G N -0.508 108.286 108.800 -0.011 0.000 2.693 359 G HA2 0.019 4.852 3.960 1.454 0.000 0.119 359 G HA3 0.019 4.852 3.960 1.454 0.000 0.119 359 G C -0.573 174.321 174.900 -0.011 0.000 1.063 359 G CA 0.611 45.702 45.100 -0.016 0.000 1.405 359 G HN 0.655 nan 8.290 nan 0.000 0.626 360 D N 0.442 120.842 120.400 0.000 0.000 2.448 360 D HA 0.171 5.684 4.640 1.454 0.000 0.256 360 D C -0.477 175.831 176.300 0.012 0.000 1.108 360 D CA 0.722 54.725 54.000 0.004 0.000 0.848 360 D CB 0.703 41.504 40.800 0.001 0.000 1.281 360 D HN 0.410 nan 8.370 nan 0.000 0.509 361 D N 0.759 121.169 120.400 0.017 0.000 2.423 361 D HA 0.476 5.989 4.640 1.454 0.000 0.235 361 D C -2.818 173.504 176.300 0.035 0.000 1.011 361 D CA -1.988 52.026 54.000 0.024 0.000 0.963 361 D CB 0.395 41.208 40.800 0.021 0.000 1.349 361 D HN -0.232 nan 8.370 nan 0.000 0.508 362 P HA 0.439 nan 4.420 nan 0.000 0.267 362 P C 0.145 177.483 177.300 0.063 0.000 1.200 362 P CA 0.593 63.726 63.100 0.056 0.000 0.772 362 P CB 0.462 32.195 31.700 0.055 0.000 0.855 363 G N 1.180 110.029 108.800 0.082 0.000 2.484 363 G HA2 0.021 4.854 3.960 1.454 0.000 0.685 363 G HA3 0.021 4.854 3.960 1.454 0.000 0.685 363 G C -1.420 173.542 174.900 0.104 0.000 1.294 363 G CA -0.921 44.235 45.100 0.094 0.000 0.879 363 G HN 0.447 nan 8.290 nan 0.000 0.646 364 I N 1.331 121.977 120.570 0.127 0.000 2.406 364 I HA 0.359 5.402 4.170 1.454 0.000 0.290 364 I C 0.286 176.471 176.117 0.113 0.000 0.999 364 I CA -0.871 60.518 61.300 0.149 0.000 1.124 364 I CB 1.768 39.925 38.000 0.262 0.000 1.289 364 I HN 0.580 nan 8.210 nan 0.000 0.441 365 N N 4.562 123.304 118.700 0.070 0.000 2.735 365 N HA -0.182 5.430 4.740 1.454 0.000 0.248 365 N C 0.886 176.419 175.510 0.038 0.000 1.083 365 N CA 1.378 54.452 53.050 0.041 0.000 0.703 365 N CB -1.138 37.374 38.487 0.041 0.000 1.005 365 N HN 1.172 nan 8.380 nan 0.000 0.550 366 G N -1.151 107.673 108.800 0.040 0.000 2.168 366 G HA2 -0.341 4.491 3.960 1.454 0.000 0.257 366 G HA3 -0.341 4.491 3.960 1.454 0.000 0.257 366 G C -0.176 174.748 174.900 0.040 0.000 0.997 366 G CA 0.795 45.916 45.100 0.034 0.000 0.708 366 G HN 0.583 nan 8.290 nan 0.000 0.520 367 Q N -0.838 118.997 119.800 0.058 0.000 2.365 367 Q HA 0.686 5.899 4.340 1.454 0.000 0.269 367 Q C 0.160 176.209 176.000 0.082 0.000 1.061 367 Q CA -0.869 54.970 55.803 0.060 0.000 0.816 367 Q CB 2.059 30.834 28.738 0.060 0.000 1.325 367 Q HN 0.267 nan 8.270 nan 0.000 0.446 368 L N 1.235 122.502 121.223 0.073 0.000 2.375 368 L HA 0.322 5.534 4.340 1.454 0.000 0.271 368 L C -0.141 176.812 176.870 0.139 0.000 1.107 368 L CA -0.678 54.226 54.840 0.106 0.000 0.806 368 L CB 0.459 42.566 42.059 0.080 0.000 1.146 368 L HN 0.716 nan 8.230 nan 0.000 0.447 369 W N 4.162 125.461 121.300 -0.002 0.000 2.409 369 W HA -0.055 5.473 4.660 1.447 0.000 0.338 369 W C -0.128 176.389 176.519 -0.003 0.000 1.273 369 W CA 0.276 57.615 57.345 -0.011 0.000 1.299 369 W CB 0.100 29.541 29.460 -0.032 0.000 1.192 369 W HN 0.336 nan 8.180 nan 0.000 0.565 370 D N 5.224 125.262 120.400 -0.604 0.000 2.686 370 D HA 0.069 5.582 4.640 1.454 0.000 0.249 370 D C 0.894 176.733 176.300 -0.769 0.000 1.260 370 D CA -0.297 53.315 54.000 -0.646 0.000 0.910 370 D CB 1.533 42.173 40.800 -0.266 0.000 1.323 370 D HN 0.303 nan 8.370 nan 0.000 0.561 371 V N 2.222 121.559 119.914 -0.961 0.000 2.568 371 V HA -0.135 4.858 4.120 1.454 0.000 0.253 371 V C 1.001 176.963 176.094 -0.219 0.000 1.072 371 V CA 1.560 63.541 62.300 -0.532 0.000 1.084 371 V CB -0.695 30.858 31.823 -0.450 0.000 0.676 371 V HN 0.410 nan 8.190 nan 0.000 0.469 372 N N -0.154 118.416 118.700 -0.217 0.000 2.280 372 N HA 0.203 5.815 4.740 1.454 0.000 0.192 372 N C 0.592 176.057 175.510 -0.074 0.000 1.109 372 N CA -0.105 52.877 53.050 -0.114 0.000 0.855 372 N CB 0.190 38.612 38.487 -0.109 0.000 0.974 372 N HN 0.480 nan 8.380 nan 0.000 0.482 373 R N 1.316 121.767 120.500 -0.082 0.000 2.387 373 R HA 0.329 5.542 4.340 1.454 0.000 0.314 373 R C -1.197 175.116 176.300 0.023 0.000 0.958 373 R CA -0.582 55.501 56.100 -0.030 0.000 0.846 373 R CB 0.721 30.998 30.300 -0.037 0.000 1.147 373 R HN -0.037 nan 8.270 nan 0.000 0.447 374 I N 4.751 125.345 120.570 0.039 0.000 2.297 374 I HA 0.087 5.130 4.170 1.454 0.000 0.291 374 I C 0.533 176.707 176.117 0.094 0.000 1.033 374 I CA -0.110 61.234 61.300 0.072 0.000 1.253 374 I CB 1.444 39.474 38.000 0.051 0.000 1.396 374 I HN 0.719 nan 8.210 nan 0.000 0.476 375 D N 4.884 125.383 120.400 0.164 0.000 2.271 375 D HA 0.057 5.569 4.640 1.454 0.000 0.206 375 D C 0.281 176.685 176.300 0.174 0.000 0.967 375 D CA 1.041 55.160 54.000 0.199 0.000 0.867 375 D CB 1.223 42.217 40.800 0.324 0.000 0.960 375 D HN 0.182 nan 8.370 nan 0.000 0.509 376 V N 0.729 120.763 119.914 0.199 0.000 2.668 376 V HA 0.221 5.213 4.120 1.454 0.000 0.304 376 V C -0.683 175.448 176.094 0.062 0.000 1.071 376 V CA -0.604 61.746 62.300 0.084 0.000 0.894 376 V CB 2.394 34.232 31.823 0.026 0.000 1.008 376 V HN -0.147 nan 8.190 nan 0.000 0.425 377 T N 4.245 118.785 114.554 -0.023 0.000 2.893 377 T HA 0.738 5.960 4.350 1.454 0.000 0.324 377 T C 0.095 174.711 174.700 -0.140 0.000 1.082 377 T CA -0.139 61.925 62.100 -0.061 0.000 0.983 377 T CB 1.345 70.181 68.868 -0.053 0.000 1.005 377 T HN 0.914 nan 8.240 nan 0.000 0.475 378 A N 2.854 125.536 122.820 -0.230 0.000 2.261 378 A HA 0.830 6.022 4.320 1.454 0.000 0.323 378 A C -0.207 177.181 177.584 -0.327 0.000 1.107 378 A CA -0.796 50.980 52.037 -0.436 0.000 0.883 378 A CB 1.048 19.380 19.000 -1.114 0.000 1.251 378 A HN 0.578 nan 8.150 nan 0.000 0.502 379 Q N 0.376 119.987 119.800 -0.316 0.000 2.307 379 Q HA 0.358 5.571 4.340 1.454 0.000 0.262 379 Q C -0.407 175.495 176.000 -0.163 0.000 0.961 379 Q CA -0.241 55.453 55.803 -0.182 0.000 0.882 379 Q CB 1.189 29.865 28.738 -0.103 0.000 1.264 379 Q HN 0.704 nan 8.270 nan 0.000 0.446 380 Q N 2.483 122.205 119.800 -0.131 0.000 2.286 380 Q HA 0.266 5.479 4.340 1.454 0.000 0.290 380 Q C 0.247 176.184 176.000 -0.105 0.000 1.049 380 Q CA 1.388 57.121 55.803 -0.116 0.000 0.923 380 Q CB 0.122 28.799 28.738 -0.102 0.000 1.183 380 Q HN 1.048 nan 8.270 nan 0.000 0.383 381 G N 2.513 111.190 108.800 -0.205 0.000 2.147 381 G HA2 -0.257 4.576 3.960 1.454 0.000 0.244 381 G HA3 -0.257 4.576 3.960 1.454 0.000 0.244 381 G C 0.011 174.934 174.900 0.038 0.000 1.005 381 G CA 0.412 45.455 45.100 -0.095 0.000 0.713 381 G HN 0.792 nan 8.290 nan 0.000 0.515 382 T N -3.421 111.111 114.554 -0.038 0.000 2.927 382 T HA 0.724 5.946 4.350 1.454 0.000 0.286 382 T C -0.494 174.303 174.700 0.162 0.000 1.040 382 T CA -0.964 61.227 62.100 0.152 0.000 1.010 382 T CB 1.992 70.940 68.868 0.134 0.000 1.177 382 T HN 0.447 nan 8.240 nan 0.000 0.546 383 W N 0.240 121.743 121.300 0.338 0.000 2.632 383 W HA 0.649 6.184 4.660 1.459 0.000 0.328 383 W C 0.088 176.820 176.519 0.356 0.000 1.044 383 W CA -0.510 57.053 57.345 0.364 0.000 1.225 383 W CB 1.622 31.252 29.460 0.283 0.000 1.396 383 W HN 0.735 nan 8.180 nan 0.000 0.499 384 E N 1.453 122.048 120.200 0.658 0.000 2.369 384 E HA 0.447 5.670 4.350 1.454 0.000 0.270 384 E C -1.139 175.771 176.600 0.517 0.000 0.909 384 E CA -1.516 55.242 56.400 0.596 0.000 0.775 384 E CB 2.846 33.054 29.700 0.848 0.000 1.270 384 E HN 0.293 nan 8.360 nan 0.000 0.445 385 R N 2.125 122.897 120.500 0.454 0.000 2.337 385 R HA 0.265 5.478 4.340 1.454 0.000 0.319 385 R C -1.591 174.969 176.300 0.433 0.000 0.954 385 R CA -0.559 55.754 56.100 0.356 0.000 0.840 385 R CB 0.581 31.007 30.300 0.209 0.000 1.164 385 R HN 0.369 nan 8.270 nan 0.000 0.472 386 W N 2.817 124.128 121.300 0.019 0.000 2.391 386 W HA 0.318 5.849 4.660 1.453 0.000 0.311 386 W C -0.209 176.253 176.519 -0.094 0.000 1.087 386 W CA -0.558 56.761 57.345 -0.043 0.000 1.209 386 W CB 2.136 31.556 29.460 -0.066 0.000 1.273 386 W HN 0.346 nan 8.180 nan 0.000 0.482 387 T N 3.701 118.294 114.554 0.066 0.000 2.781 387 T HA 0.398 5.621 4.350 1.454 0.000 0.305 387 T C -0.280 174.367 174.700 -0.088 0.000 1.001 387 T CA -0.436 61.654 62.100 -0.016 0.000 0.950 387 T CB 0.268 69.118 68.868 -0.030 0.000 0.955 387 T HN 0.034 nan 8.240 nan 0.000 0.471 388 V N 5.661 125.496 119.914 -0.131 0.000 2.439 388 V HA 0.538 5.531 4.120 1.454 0.000 0.282 388 V C 0.339 176.314 176.094 -0.198 0.000 1.039 388 V CA -0.864 61.280 62.300 -0.260 0.000 0.913 388 V CB 1.086 32.623 31.823 -0.477 0.000 0.983 388 V HN 0.724 nan 8.190 nan 0.000 0.460 389 R N 2.972 123.358 120.500 -0.190 0.000 2.807 389 R HA 0.908 6.121 4.340 1.454 0.000 0.276 389 R C -0.920 175.298 176.300 -0.137 0.000 0.979 389 R CA -0.824 55.195 56.100 -0.136 0.000 0.928 389 R CB 2.423 32.665 30.300 -0.096 0.000 1.191 389 R HN 0.780 nan 8.270 nan 0.000 0.471 390 A N 1.446 124.193 122.820 -0.122 0.000 2.466 390 A HA 0.257 5.450 4.320 1.454 0.000 0.284 390 A C -0.492 177.036 177.584 -0.094 0.000 1.049 390 A CA -0.755 51.213 52.037 -0.116 0.000 0.760 390 A CB 1.126 20.026 19.000 -0.166 0.000 1.274 390 A HN 0.753 nan 8.150 nan 0.000 0.412 391 D N 1.047 121.410 120.400 -0.063 0.000 2.097 391 D HA -0.087 5.426 4.640 1.454 0.000 0.197 391 D C 0.688 176.962 176.300 -0.045 0.000 0.984 391 D CA 1.622 55.596 54.000 -0.043 0.000 0.826 391 D CB 0.381 41.165 40.800 -0.027 0.000 0.973 391 D HN 0.799 nan 8.370 nan 0.000 0.460 392 E N 1.366 121.536 120.200 -0.050 0.000 2.109 392 E HA 0.268 5.491 4.350 1.454 0.000 0.278 392 E C -2.611 173.926 176.600 -0.106 0.000 0.954 392 E CA -2.323 54.050 56.400 -0.045 0.000 0.779 392 E CB 1.651 31.340 29.700 -0.018 0.000 1.093 392 E HN -0.217 nan 8.360 nan 0.000 0.401 393 P HA -0.113 nan 4.420 nan 0.000 0.263 393 P C -1.264 175.740 177.300 -0.493 0.000 1.175 393 P CA 0.661 63.542 63.100 -0.365 0.000 0.761 393 P CB 0.286 31.965 31.700 -0.035 0.000 0.794 394 Q N 1.138 120.384 119.800 -0.923 0.000 2.776 394 Q HA 0.674 5.887 4.340 1.454 0.000 0.289 394 Q C -1.865 173.912 176.000 -0.371 0.000 0.912 394 Q CA -1.267 54.244 55.803 -0.486 0.000 0.789 394 Q CB 0.800 29.469 28.738 -0.115 0.000 1.498 394 Q HN 0.334 nan 8.270 nan 0.000 0.408 395 A N 1.114 123.997 122.820 0.104 0.000 2.316 395 A HA 0.745 5.938 4.320 1.454 0.000 0.284 395 A C -1.374 176.400 177.584 0.317 0.000 1.115 395 A CA -0.364 51.845 52.037 0.286 0.000 0.812 395 A CB 0.444 19.669 19.000 0.375 0.000 1.064 395 A HN 0.588 nan 8.150 nan 0.000 0.489 396 F N 1.073 121.141 119.950 0.196 0.000 2.529 396 F HA 0.594 5.995 4.527 1.458 0.000 0.320 396 F C -0.467 175.536 175.800 0.339 0.000 1.118 396 F CA -0.433 57.703 58.000 0.227 0.000 0.915 396 F CB 1.739 40.836 39.000 0.160 0.000 1.161 396 F HN 0.825 nan 8.300 nan 0.000 0.445 397 H N 5.489 124.305 119.070 -0.423 0.000 2.690 397 H HA 0.711 6.138 4.556 1.452 0.000 0.368 397 H C -1.518 173.594 175.328 -0.361 0.000 1.150 397 H CA -0.714 55.206 56.048 -0.214 0.000 1.174 397 H CB 1.710 31.461 29.762 -0.018 0.000 1.684 397 H HN 0.564 nan 8.280 nan 0.000 0.538 398 I N 3.577 123.663 120.570 -0.806 0.000 2.478 398 I HA 0.254 5.296 4.170 1.454 0.000 0.287 398 I C -0.210 175.511 176.117 -0.660 0.000 1.042 398 I CA -0.756 60.246 61.300 -0.497 0.000 1.067 398 I CB 1.958 39.786 38.000 -0.287 0.000 1.233 398 I HN 0.538 nan 8.210 nan 0.000 0.431 399 E N 3.344 123.344 120.200 -0.332 0.000 2.371 399 E HA 0.304 5.526 4.350 1.454 0.000 0.257 399 E C 1.039 177.220 176.600 -0.699 0.000 1.134 399 E CA 0.120 56.334 56.400 -0.309 0.000 0.919 399 E CB 0.820 30.517 29.700 -0.005 0.000 1.025 399 E HN 0.922 nan 8.360 nan 0.000 0.438 400 G N -0.015 108.232 108.800 -0.922 0.000 2.244 400 G HA2 -0.285 4.548 3.960 1.454 0.000 0.274 400 G HA3 -0.285 4.548 3.960 1.454 0.000 0.274 400 G C 0.181 174.605 174.900 -0.793 0.000 1.002 400 G CA 0.974 45.261 45.100 -1.355 0.000 0.740 400 G HN 0.494 nan 8.290 nan 0.000 0.516 401 V N -3.401 116.158 119.914 -0.592 0.000 3.156 401 V HA 0.964 5.957 4.120 1.454 0.000 0.310 401 V C -0.300 175.516 176.094 -0.463 0.000 1.234 401 V CA -0.504 61.474 62.300 -0.536 0.000 1.065 401 V CB 2.327 33.764 31.823 -0.643 0.000 1.088 401 V HN 1.199 nan 8.190 nan 0.000 0.451 402 M N 2.343 121.672 119.600 -0.452 0.000 2.421 402 M HA 0.840 6.192 4.480 1.454 0.000 0.287 402 M C -1.850 174.379 176.300 -0.118 0.000 1.183 402 M CA -0.458 54.605 55.300 -0.395 0.000 0.916 402 M CB 2.306 34.599 32.600 -0.512 0.000 1.701 402 M HN 1.138 nan 8.290 nan 0.000 0.470 403 F N -0.180 119.891 119.950 0.201 0.000 2.692 403 F HA 0.757 6.156 4.527 1.454 0.000 0.320 403 F C -1.703 174.319 175.800 0.369 0.000 1.123 403 F CA -0.945 57.248 58.000 0.321 0.000 0.961 403 F CB 1.684 40.692 39.000 0.013 0.000 1.383 403 F HN 0.702 nan 8.300 nan 0.000 0.483 404 Q N 1.676 121.830 119.800 0.589 0.000 2.340 404 Q HA 0.533 5.746 4.340 1.454 0.000 0.268 404 Q C -1.244 174.924 176.000 0.279 0.000 1.031 404 Q CA -0.875 55.075 55.803 0.245 0.000 0.804 404 Q CB 3.221 31.890 28.738 -0.115 0.000 1.286 404 Q HN 0.613 nan 8.270 nan 0.000 0.448 405 I N 2.703 123.421 120.570 0.247 0.000 2.436 405 I HA 0.057 5.099 4.170 1.454 0.000 0.289 405 I C 1.274 177.432 176.117 0.067 0.000 1.083 405 I CA 0.267 61.657 61.300 0.151 0.000 1.372 405 I CB 0.389 38.495 38.000 0.177 0.000 1.408 405 I HN 0.522 nan 8.210 nan 0.000 0.516 406 R N 3.554 124.078 120.500 0.040 0.000 2.206 406 R HA 0.226 5.439 4.340 1.454 0.000 0.198 406 R C 0.140 176.439 176.300 -0.001 0.000 0.986 406 R CA 0.358 56.465 56.100 0.012 0.000 1.029 406 R CB 0.252 30.561 30.300 0.014 0.000 0.966 406 R HN 0.602 nan 8.270 nan 0.000 0.487 407 N N -0.288 118.414 118.700 0.003 0.000 2.396 407 N HA 0.258 5.870 4.740 1.454 0.000 0.275 407 N C -1.663 173.846 175.510 -0.002 0.000 1.218 407 N CA -0.370 52.674 53.050 -0.009 0.000 0.812 407 N CB 3.353 41.834 38.487 -0.010 0.000 1.592 407 N HN -0.265 nan 8.380 nan 0.000 0.480 408 V N 2.889 122.795 119.914 -0.012 0.000 2.439 408 V HA 0.322 5.315 4.120 1.454 0.000 0.277 408 V C -0.058 176.034 176.094 -0.004 0.000 1.008 408 V CA -0.683 61.619 62.300 0.004 0.000 0.846 408 V CB 0.647 32.481 31.823 0.019 0.000 1.031 408 V HN 0.743 nan 8.190 nan 0.000 0.441 409 N N 3.510 122.208 118.700 -0.002 0.000 2.776 409 N HA -0.192 5.420 4.740 1.454 0.000 0.249 409 N C 1.215 176.718 175.510 -0.011 0.000 1.111 409 N CA 1.662 54.710 53.050 -0.004 0.000 0.711 409 N CB -1.085 37.407 38.487 0.010 0.000 1.065 409 N HN 1.506 nan 8.380 nan 0.000 0.556 410 G N -2.424 106.366 108.800 -0.016 0.000 2.179 410 G HA2 -0.124 4.708 3.960 1.454 0.000 0.260 410 G HA3 -0.124 4.708 3.960 1.454 0.000 0.260 410 G C 0.321 175.205 174.900 -0.026 0.000 0.977 410 G CA 1.111 46.200 45.100 -0.018 0.000 0.641 410 G HN 1.146 nan 8.290 nan 0.000 0.533 411 A N -0.745 122.054 122.820 -0.035 0.000 2.352 411 A HA 0.945 6.138 4.320 1.454 0.000 0.299 411 A C 0.157 177.697 177.584 -0.074 0.000 1.160 411 A CA 0.196 52.199 52.037 -0.057 0.000 0.933 411 A CB 1.044 20.002 19.000 -0.071 0.000 1.387 411 A HN 1.213 nan 8.150 nan 0.000 0.487 412 M N 1.159 120.691 119.600 -0.113 0.000 2.363 412 M HA 0.508 5.861 4.480 1.454 0.000 0.343 412 M C -2.371 173.809 176.300 -0.200 0.000 1.165 412 M CA -1.931 53.296 55.300 -0.121 0.000 1.046 412 M CB 1.714 34.251 32.600 -0.105 0.000 1.648 412 M HN 0.487 nan 8.290 nan 0.000 0.452 413 P HA 0.203 nan 4.420 nan 0.000 0.274 413 P C -1.091 176.116 177.300 -0.154 0.000 1.246 413 P CA 0.003 63.034 63.100 -0.114 0.000 0.795 413 P CB 0.314 32.026 31.700 0.020 0.000 1.006 414 F N 0.534 120.514 119.950 0.050 0.000 2.480 414 F HA 0.118 5.517 4.527 1.454 0.000 0.319 414 F C -0.719 175.102 175.800 0.034 0.000 1.230 414 F CA -1.194 56.831 58.000 0.041 0.000 1.285 414 F CB -1.059 37.967 39.000 0.043 0.000 1.208 414 F HN 0.310 nan 8.300 nan 0.000 0.579 415 P HA -0.301 nan 4.420 nan 0.000 0.216 415 P C 0.785 178.146 177.300 0.102 0.000 1.167 415 P CA 3.139 66.325 63.100 0.144 0.000 0.933 415 P CB 0.139 31.920 31.700 0.135 0.000 0.793 416 E N -4.428 115.834 120.200 0.104 0.000 3.899 416 E HA -0.177 5.046 4.350 1.454 0.000 0.148 416 E C -0.033 176.642 176.600 0.124 0.000 0.913 416 E CA 1.116 57.587 56.400 0.119 0.000 2.802 416 E CB -1.908 27.886 29.700 0.155 0.000 1.466 416 E HN 0.074 nan 8.360 nan 0.000 0.652 417 D N -0.430 120.062 120.400 0.153 0.000 2.513 417 D HA 0.233 5.745 4.640 1.454 0.000 0.222 417 D C 0.523 176.885 176.300 0.104 0.000 1.210 417 D CA -0.029 54.062 54.000 0.152 0.000 0.825 417 D CB 0.267 41.196 40.800 0.214 0.000 1.037 417 D HN 0.188 nan 8.370 nan 0.000 0.506 418 R N 0.065 120.601 120.500 0.060 0.000 2.356 418 R HA 0.279 5.492 4.340 1.454 0.000 0.234 418 R C 1.169 177.421 176.300 -0.079 0.000 0.929 418 R CA -0.148 55.949 56.100 -0.004 0.000 1.084 418 R CB 0.958 31.252 30.300 -0.009 0.000 1.105 418 R HN -0.038 nan 8.270 nan 0.000 0.515 419 G N -0.321 108.447 108.800 -0.053 0.000 2.702 419 G HA2 0.187 5.020 3.960 1.454 0.000 0.254 419 G HA3 0.187 5.020 3.960 1.454 0.000 0.254 419 G C -1.172 173.638 174.900 -0.150 0.000 1.380 419 G CA -0.792 44.237 45.100 -0.118 0.000 1.042 419 G HN 0.160 nan 8.290 nan 0.000 0.557 420 W N 0.424 121.725 121.300 0.002 0.000 2.287 420 W HA 0.583 6.118 4.660 1.458 0.000 0.313 420 W C 0.520 176.945 176.519 -0.156 0.000 1.267 420 W CA -0.310 56.996 57.345 -0.065 0.000 1.201 420 W CB 1.113 30.537 29.460 -0.060 0.000 1.196 420 W HN 0.197 nan 8.180 nan 0.000 0.536 421 K N 0.887 121.261 120.400 -0.043 0.000 2.439 421 K HA 0.225 5.418 4.320 1.454 0.000 0.260 421 K C -0.338 175.736 176.600 -0.875 0.000 1.032 421 K CA -0.679 55.402 56.287 -0.343 0.000 0.882 421 K CB 1.962 34.335 32.500 -0.212 0.000 1.420 421 K HN 0.456 nan 8.250 nan 0.000 0.455 422 D N -1.839 118.203 120.400 -0.597 0.000 2.497 422 D HA 0.089 5.602 4.640 1.454 0.000 0.256 422 D C -0.647 175.659 176.300 0.010 0.000 1.273 422 D CA -0.050 53.654 54.000 -0.492 0.000 0.812 422 D CB 0.907 41.577 40.800 -0.215 0.000 1.190 422 D HN 0.223 nan 8.370 nan 0.000 0.524 423 T N 0.310 114.981 114.554 0.195 0.000 2.971 423 T HA 0.614 5.837 4.350 1.454 0.000 0.304 423 T C -1.668 173.308 174.700 0.460 0.000 1.038 423 T CA -0.721 61.626 62.100 0.411 0.000 1.007 423 T CB 2.488 71.578 68.868 0.370 0.000 1.055 423 T HN 0.007 nan 8.240 nan 0.000 0.451 424 V N 3.718 123.936 119.914 0.506 0.000 2.971 424 V HA 0.692 5.685 4.120 1.454 0.000 0.309 424 V C -1.584 174.765 176.094 0.425 0.000 1.130 424 V CA -0.964 61.610 62.300 0.457 0.000 0.964 424 V CB 2.256 34.338 31.823 0.432 0.000 1.029 424 V HN 0.953 nan 8.190 nan 0.000 0.427 425 W N 6.677 128.100 121.300 0.204 0.000 2.322 425 W HA 0.662 6.194 4.660 1.453 0.000 0.307 425 W C -1.690 174.913 176.519 0.139 0.000 1.220 425 W CA -0.412 57.029 57.345 0.161 0.000 1.210 425 W CB 1.594 31.130 29.460 0.126 0.000 1.223 425 W HN 0.488 nan 8.180 nan 0.000 0.511 426 V N 6.559 126.138 119.914 -0.559 0.000 2.448 426 V HA 0.154 5.147 4.120 1.454 0.000 0.295 426 V C -0.562 175.129 176.094 -0.671 0.000 1.025 426 V CA -0.416 61.613 62.300 -0.452 0.000 0.859 426 V CB 1.611 33.289 31.823 -0.242 0.000 0.988 426 V HN 0.499 nan 8.190 nan 0.000 0.431 427 D N 2.897 123.086 120.400 -0.352 0.000 2.621 427 D HA 0.547 6.060 4.640 1.454 0.000 0.274 427 D C 0.597 176.850 176.300 -0.078 0.000 1.215 427 D CA 0.812 54.690 54.000 -0.204 0.000 0.810 427 D CB 0.844 41.635 40.800 -0.016 0.000 1.248 427 D HN 0.765 nan 8.370 nan 0.000 0.517 428 G N 2.346 111.088 108.800 -0.097 0.000 2.793 428 G HA2 -0.108 4.724 3.960 1.454 0.000 0.197 428 G HA3 -0.108 4.724 3.960 1.454 0.000 0.197 428 G C -0.156 174.703 174.900 -0.068 0.000 2.112 428 G CA 0.098 45.163 45.100 -0.058 0.000 1.556 428 G HN 0.605 nan 8.290 nan 0.000 0.534 429 Q N -0.422 119.342 119.800 -0.060 0.000 2.616 429 Q HA 0.485 5.698 4.340 1.454 0.000 0.254 429 Q C -1.654 174.320 176.000 -0.044 0.000 0.975 429 Q CA -0.263 55.502 55.803 -0.063 0.000 0.976 429 Q CB 2.259 30.968 28.738 -0.048 0.000 1.594 429 Q HN 1.578 nan 8.270 nan 0.000 0.425 430 V N -0.612 119.270 119.914 -0.055 0.000 2.971 430 V HA 0.713 5.706 4.120 1.454 0.000 0.309 430 V C -1.178 174.892 176.094 -0.040 0.000 1.130 430 V CA -0.806 61.475 62.300 -0.032 0.000 0.964 430 V CB 2.149 33.964 31.823 -0.014 0.000 1.029 430 V HN 0.843 nan 8.190 nan 0.000 0.427 431 E N 3.010 123.198 120.200 -0.021 0.000 2.145 431 E HA 0.692 5.914 4.350 1.454 0.000 0.270 431 E C -1.370 175.219 176.600 -0.019 0.000 0.906 431 E CA -0.568 55.828 56.400 -0.007 0.000 0.761 431 E CB 2.057 31.762 29.700 0.010 0.000 1.116 431 E HN 0.679 nan 8.360 nan 0.000 0.408 432 L N 3.158 124.354 121.223 -0.045 0.000 2.329 432 L HA 0.420 5.632 4.340 1.454 0.000 0.279 432 L C -0.749 176.142 176.870 0.034 0.000 1.014 432 L CA -1.144 53.625 54.840 -0.118 0.000 0.814 432 L CB 1.029 42.753 42.059 -0.558 0.000 1.257 432 L HN 0.287 nan 8.230 nan 0.000 0.424 433 L N 4.314 125.627 121.223 0.150 0.000 2.270 433 L HA 0.428 5.641 4.340 1.454 0.000 0.286 433 L C -0.299 176.810 176.870 0.399 0.000 1.059 433 L CA -0.120 54.896 54.840 0.293 0.000 0.839 433 L CB 1.096 43.324 42.059 0.282 0.000 1.221 433 L HN 0.282 nan 8.230 nan 0.000 0.431 434 V N 5.614 125.653 119.914 0.210 0.000 2.539 434 V HA 0.304 5.297 4.120 1.454 0.000 0.292 434 V C -0.799 175.122 176.094 -0.288 0.000 1.045 434 V CA -0.732 61.478 62.300 -0.150 0.000 0.945 434 V CB 1.357 32.712 31.823 -0.781 0.000 0.993 434 V HN 0.606 nan 8.190 nan 0.000 0.464 435 Y N 4.600 124.433 120.300 -0.778 0.000 2.331 435 Y HA 0.613 6.036 4.550 1.455 0.000 0.334 435 Y C -0.905 174.443 175.900 -0.919 0.000 0.960 435 Y CA -1.639 55.824 58.100 -1.063 0.000 1.130 435 Y CB 1.464 39.064 38.460 -1.434 0.000 1.164 435 Y HN 0.542 nan 8.280 nan 0.000 0.458 436 F N 5.275 124.597 119.950 -1.048 0.000 2.309 436 F HA 0.391 5.789 4.527 1.451 0.000 0.366 436 F C 1.108 176.341 175.800 -0.945 0.000 1.104 436 F CA -0.346 57.206 58.000 -0.746 0.000 1.179 436 F CB 1.032 39.806 39.000 -0.377 0.000 1.437 436 F HN 0.825 nan 8.300 nan 0.000 0.528 437 G N 1.456 109.809 108.800 -0.744 0.000 3.042 437 G HA2 0.081 4.914 3.960 1.454 0.000 0.212 437 G HA3 0.081 4.914 3.960 1.454 0.000 0.212 437 G C 0.433 175.250 174.900 -0.138 0.000 1.166 437 G CA 0.050 44.897 45.100 -0.421 0.000 0.767 437 G HN 0.342 nan 8.290 nan 0.000 0.546 438 Q N 0.270 120.032 119.800 -0.064 0.000 2.387 438 Q HA 0.418 5.631 4.340 1.454 0.000 0.273 438 Q C -2.878 173.237 176.000 0.191 0.000 1.089 438 Q CA -1.938 53.927 55.803 0.104 0.000 0.824 438 Q CB 3.011 31.864 28.738 0.192 0.000 1.367 438 Q HN 0.055 nan 8.270 nan 0.000 0.443 439 P HA 0.331 nan 4.420 nan 0.000 0.287 439 P C -1.009 176.104 177.300 -0.312 0.000 1.279 439 P CA -0.421 62.591 63.100 -0.148 0.000 0.867 439 P CB 1.654 33.180 31.700 -0.290 0.000 1.127 440 S N 0.017 115.381 115.700 -0.561 0.000 2.651 440 S HA 0.677 6.020 4.470 1.454 0.000 0.279 440 S C -1.447 172.852 174.600 -0.501 0.000 1.148 440 S CA -0.742 57.134 58.200 -0.540 0.000 0.837 440 S CB 1.429 64.116 63.200 -0.855 0.000 1.138 440 S HN 0.472 nan 8.310 nan 0.000 0.478 441 W N -0.249 120.874 121.300 -0.295 0.000 2.719 441 W HA 0.577 6.136 4.660 1.498 0.000 0.352 441 W C 1.188 177.583 176.519 -0.207 0.000 1.085 441 W CA -0.667 56.534 57.345 -0.240 0.000 1.187 441 W CB 2.254 31.484 29.460 -0.383 0.000 1.417 441 W HN 0.999 nan 8.180 nan 0.000 0.557 442 A N 0.842 123.742 122.820 0.134 0.000 1.978 442 A HA -0.255 4.938 4.320 1.454 0.000 0.220 442 A C 1.401 179.072 177.584 0.146 0.000 1.170 442 A CA 1.994 54.116 52.037 0.142 0.000 0.636 442 A CB -0.869 18.248 19.000 0.195 0.000 0.810 442 A HN 0.637 nan 8.150 nan 0.000 0.448 443 H N -4.922 114.216 119.070 0.113 0.000 2.594 443 H HA 0.382 5.808 4.556 1.449 0.000 0.279 443 H C -0.650 174.503 175.328 -0.292 0.000 1.042 443 H CA -0.623 55.383 56.048 -0.071 0.000 1.177 443 H CB -0.196 29.512 29.762 -0.090 0.000 1.524 443 H HN 0.409 nan 8.280 nan 0.000 0.537 444 F N 2.217 122.025 119.950 -0.236 0.000 2.577 444 F HA 0.326 5.715 4.527 1.436 0.000 0.359 444 F C -2.603 173.058 175.800 -0.231 0.000 1.535 444 F CA -1.906 55.975 58.000 -0.197 0.000 1.093 444 F CB 1.558 40.394 39.000 -0.272 0.000 1.613 444 F HN 0.007 nan 8.300 nan 0.000 0.558 445 P HA 0.238 nan 4.420 nan 0.000 0.289 445 P C -0.453 176.565 177.300 -0.469 0.000 1.299 445 P CA -0.151 62.771 63.100 -0.296 0.000 0.766 445 P CB 1.192 32.771 31.700 -0.203 0.000 1.226 446 F N -1.540 118.262 119.950 -0.247 0.000 2.440 446 F HA 0.436 5.835 4.527 1.452 0.000 0.328 446 F C 0.221 175.822 175.800 -0.332 0.000 1.070 446 F CA -0.194 57.673 58.000 -0.223 0.000 1.011 446 F CB 0.464 39.472 39.000 0.014 0.000 1.226 446 F HN 0.150 nan 8.300 nan 0.000 0.491 447 Y N 1.562 122.055 120.300 0.321 0.000 2.409 447 Y HA 0.495 5.912 4.550 1.445 0.000 0.343 447 Y C -0.575 175.415 175.900 0.152 0.000 0.973 447 Y CA -1.488 56.687 58.100 0.125 0.000 1.064 447 Y CB 1.237 39.688 38.460 -0.014 0.000 1.207 447 Y HN 0.353 nan 8.280 nan 0.000 0.452 448 F N 2.266 122.379 119.950 0.271 0.000 2.458 448 F HA 0.754 6.154 4.527 1.454 0.000 0.336 448 F C -0.585 175.264 175.800 0.082 0.000 1.114 448 F CA -0.903 57.141 58.000 0.075 0.000 0.987 448 F CB 1.246 40.404 39.000 0.263 0.000 1.130 448 F HN 0.501 nan 8.300 nan 0.000 0.458 449 N N 1.053 119.741 118.700 -0.019 0.000 2.732 449 N HA 0.302 5.914 4.740 1.454 0.000 0.259 449 N C -1.662 173.929 175.510 0.135 0.000 1.402 449 N CA -0.807 52.273 53.050 0.049 0.000 0.829 449 N CB 1.660 40.135 38.487 -0.021 0.000 1.495 449 N HN 0.633 nan 8.380 nan 0.000 0.511 450 S N -0.317 115.507 115.700 0.206 0.000 2.528 450 S HA 0.015 5.358 4.470 1.454 0.000 0.277 450 S C 0.603 175.293 174.600 0.150 0.000 1.297 450 S CA -0.035 58.308 58.200 0.239 0.000 1.052 450 S CB 0.466 63.771 63.200 0.175 0.000 0.917 450 S HN 0.554 nan 8.310 nan 0.000 0.492 451 Q N 3.227 123.134 119.800 0.179 0.000 2.365 451 Q HA 0.199 5.412 4.340 1.454 0.000 0.203 451 Q C 0.071 176.153 176.000 0.137 0.000 0.929 451 Q CA 0.520 56.414 55.803 0.151 0.000 0.948 451 Q CB -0.157 28.704 28.738 0.204 0.000 1.043 451 Q HN 0.685 nan 8.270 nan 0.000 0.505 452 T N 1.558 116.191 114.554 0.132 0.000 2.875 452 T HA 0.198 5.420 4.350 1.454 0.000 0.307 452 T C 1.349 176.104 174.700 0.092 0.000 1.013 452 T CA -0.185 61.990 62.100 0.125 0.000 0.970 452 T CB 0.119 69.059 68.868 0.120 0.000 0.986 452 T HN 0.262 nan 8.240 nan 0.000 0.536 453 L N 2.253 123.524 121.223 0.080 0.000 2.085 453 L HA -0.252 4.961 4.340 1.454 0.000 0.218 453 L C 2.451 179.348 176.870 0.045 0.000 1.080 453 L CA 1.530 56.394 54.840 0.040 0.000 0.776 453 L CB -0.434 41.638 42.059 0.021 0.000 0.891 453 L HN 0.499 nan 8.230 nan 0.000 0.437 454 E N -0.763 119.490 120.200 0.089 0.000 2.265 454 E HA -0.171 5.051 4.350 1.454 0.000 0.196 454 E C 2.149 178.789 176.600 0.067 0.000 0.996 454 E CA 1.132 57.590 56.400 0.097 0.000 0.832 454 E CB -0.065 29.716 29.700 0.135 0.000 0.756 454 E HN 0.460 nan 8.360 nan 0.000 0.491 455 M N -1.222 118.414 119.600 0.061 0.000 2.466 455 M HA 0.128 5.481 4.480 1.454 0.000 0.265 455 M C 2.056 178.377 176.300 0.034 0.000 1.122 455 M CA 0.640 55.972 55.300 0.053 0.000 1.157 455 M CB 0.215 32.853 32.600 0.063 0.000 1.352 455 M HN 0.175 nan 8.290 nan 0.000 0.464 456 A N 0.353 123.179 122.820 0.011 0.000 1.873 456 A HA -0.176 5.017 4.320 1.454 0.000 0.215 456 A C 1.551 179.087 177.584 -0.080 0.000 1.186 456 A CA 1.806 53.814 52.037 -0.049 0.000 0.616 456 A CB -0.749 18.201 19.000 -0.083 0.000 0.823 456 A HN 0.331 nan 8.150 nan 0.000 0.442 457 D N -1.223 119.144 120.400 -0.054 0.000 2.389 457 D HA -0.084 5.428 4.640 1.454 0.000 0.221 457 D C 1.677 177.982 176.300 0.009 0.000 0.974 457 D CA 0.798 54.773 54.000 -0.042 0.000 0.923 457 D CB -0.090 40.702 40.800 -0.012 0.000 0.892 457 D HN 0.509 nan 8.370 nan 0.000 0.518 458 R N -1.533 118.982 120.500 0.026 0.000 2.476 458 R HA 0.254 5.467 4.340 1.454 0.000 0.276 458 R C 0.926 177.274 176.300 0.080 0.000 0.941 458 R CA 0.578 56.711 56.100 0.055 0.000 1.088 458 R CB 0.830 31.160 30.300 0.051 0.000 1.216 458 R HN 0.123 nan 8.270 nan 0.000 0.533 459 G N -0.800 108.057 108.800 0.095 0.000 2.296 459 G HA2 -0.188 4.645 3.960 1.454 0.000 0.188 459 G HA3 -0.188 4.645 3.960 1.454 0.000 0.188 459 G C 0.184 175.163 174.900 0.133 0.000 1.000 459 G CA -0.116 45.076 45.100 0.153 0.000 0.672 459 G HN 0.165 nan 8.290 nan 0.000 0.483 460 S N 1.299 117.046 115.700 0.079 0.000 3.864 460 S HA 0.534 5.877 4.470 1.454 0.000 0.202 460 S C 0.265 174.895 174.600 0.050 0.000 1.402 460 S CA 0.329 58.581 58.200 0.088 0.000 1.072 460 S CB -0.575 62.679 63.200 0.091 0.000 1.383 460 S HN 0.426 nan 8.310 nan 0.000 0.458 461 I N 0.557 121.146 120.570 0.030 0.000 2.619 461 I HA 0.560 5.603 4.170 1.454 0.000 0.292 461 I C 0.324 176.421 176.117 -0.033 0.000 1.100 461 I CA -0.871 60.361 61.300 -0.114 0.000 1.043 461 I CB 2.374 40.079 38.000 -0.491 0.000 1.239 461 I HN 0.303 nan 8.210 nan 0.000 0.420 462 G N 3.527 112.091 108.800 -0.394 0.000 2.481 462 G HA2 0.641 5.474 3.960 1.454 0.000 0.315 462 G HA3 0.641 5.474 3.960 1.454 0.000 0.315 462 G C -1.445 173.133 174.900 -0.537 0.000 1.231 462 G CA -0.434 44.272 45.100 -0.656 0.000 0.968 462 G HN 0.540 nan 8.290 nan 0.000 0.482 463 Q N -0.055 119.724 119.800 -0.035 0.000 2.307 463 Q HA 0.449 5.662 4.340 1.454 0.000 0.262 463 Q C -1.045 175.144 176.000 0.316 0.000 0.961 463 Q CA -0.695 55.199 55.803 0.151 0.000 0.882 463 Q CB 2.673 31.535 28.738 0.208 0.000 1.264 463 Q HN 0.448 nan 8.270 nan 0.000 0.446 464 L N 3.833 125.289 121.223 0.388 0.000 2.296 464 L HA 0.521 5.734 4.340 1.454 0.000 0.286 464 L C -1.680 175.326 176.870 0.227 0.000 1.023 464 L CA -0.690 54.431 54.840 0.469 0.000 0.812 464 L CB 1.098 43.582 42.059 0.709 0.000 1.223 464 L HN 0.551 nan 8.230 nan 0.000 0.421 465 L N 6.503 127.802 121.223 0.127 0.000 2.280 465 L HA 0.603 5.815 4.340 1.454 0.000 0.287 465 L C -1.105 175.736 176.870 -0.047 0.000 1.023 465 L CA -0.237 54.598 54.840 -0.008 0.000 0.819 465 L CB 1.545 43.585 42.059 -0.031 0.000 1.212 465 L HN 0.473 nan 8.230 nan 0.000 0.420 466 V N 5.183 125.046 119.914 -0.086 0.000 2.333 466 V HA 0.434 5.426 4.120 1.454 0.000 0.274 466 V C -0.031 175.931 176.094 -0.220 0.000 1.028 466 V CA -0.814 61.423 62.300 -0.106 0.000 0.851 466 V CB 0.880 32.743 31.823 0.066 0.000 1.000 466 V HN 0.708 nan 8.190 nan 0.000 0.456 467 N N 6.901 125.476 118.700 -0.208 0.000 2.488 467 N HA 0.371 5.984 4.740 1.454 0.000 0.274 467 N C -2.483 172.909 175.510 -0.197 0.000 1.111 467 N CA -1.034 51.879 53.050 -0.228 0.000 0.974 467 N CB 1.998 40.383 38.487 -0.169 0.000 1.089 467 N HN 0.393 nan 8.380 nan 0.000 0.465 468 P HA 0.430 nan 4.420 nan 0.000 0.280 468 P C -0.253 176.983 177.300 -0.107 0.000 1.272 468 P CA -0.324 62.684 63.100 -0.154 0.000 0.819 468 P CB 1.756 33.349 31.700 -0.180 0.000 1.122 469 V N 0.000 119.875 119.914 -0.064 0.000 2.409 469 V HA 0.000 4.993 4.120 1.454 0.000 0.244 469 V CA 0.000 62.275 62.300 -0.042 0.000 1.235 469 V CB 0.000 31.797 31.823 -0.043 0.000 1.184 469 V HN 0.000 nan 8.190 nan 0.000 0.556