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 1m6b_1_A DATA FIRST_RESID 8 DATA SEQUENCE AVcPXXXXXX XXXXXXXXXX XXXXXXXXRc EVVMGNLEIV LTGHNADLSF DATA SEQUENCE LQWVREVTGY VLVAMNEFST LPLPNLRVVR GTQVYDGKFA IFVMLNYNTN DATA SEQUENCE SSHALRQLRL TQLTEILSGG VYIEKNDKLc HMDTIDWRDI VRDRDAEIVV DATA SEQUENCE KDNGRScPPc HEVcKGRcWG PGSEDcQTLT KTIcAPQcNG HcFGPNPNQc DATA SEQUENCE cHDEcAGGcS GPQDTDcFAc RHFNDSGAcV PRcPQPLVYN KLTFQLEPNP DATA SEQUENCE HTKYQYGGVc VAScPHNFVV DQTScVRAcP PDKMEVDKNG LKMcEPcGGL DATA SEQUENCE cPKAcEGTGS GSRFQTVDSS NIDGFVNcTK ILGNLDFLIT GLNGDPWHKI DATA SEQUENCE PALDPEKLNV FRTVREITGY LNIQSWPPHM HNFSVFSNLT TIGGRSLYNR DATA SEQUENCE GFSLLIMKNL NVTSLGFRSL KEISAGRIYI SANRQLcYHH SLNWTKVLRG DATA SEQUENCE PTEERLDIKH NRPRRDcVAE GKVcDPLcSS GGcWGPGPGQ cLScRNYSRG DATA SEQUENCE GVcVTHcNFL NGEPREFAHE AEcFScHPEc QPMEGTATcN GSGSDTcAQc DATA SEQUENCE AHFRDGPHcV SSCPHGVLGA KGP 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 8 A HA 0.000 nan 4.320 nan 0.000 0.244 8 A C 0.000 177.586 177.584 0.003 0.000 1.274 8 A CA 0.000 52.030 52.037 -0.012 0.000 0.836 8 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 9 V N 1.144 121.065 119.914 0.013 0.000 2.834 9 V HA 0.738 4.856 4.120 -0.003 0.000 0.313 9 V C -0.173 175.928 176.094 0.011 0.000 1.060 9 V CA 0.144 62.440 62.300 -0.006 0.000 0.989 9 V CB 1.527 33.343 31.823 -0.012 0.000 1.041 9 V HN 1.547 nan 8.190 nan 0.000 0.459 10 c N 4.483 123.069 118.600 -0.023 0.000 3.303 10 c HA 0.785 5.353 4.570 -0.003 0.000 0.340 10 c C -3.186 170.894 174.090 -0.016 0.000 1.274 10 c CA -1.040 55.289 56.329 0.000 0.000 1.234 10 c CB 0.973 43.489 42.510 0.010 0.000 1.532 10 c HN 0.722 nan 8.230 nan 0.000 0.483 37 c N 1.064 119.732 118.600 0.114 0.000 2.465 37 c HA 0.007 4.575 4.570 -0.003 0.000 0.402 37 c C 1.399 175.559 174.090 0.116 0.000 1.448 37 c CA 0.790 57.178 56.329 0.097 0.000 1.589 37 c CB 0.205 42.782 42.510 0.111 0.000 2.535 37 c HN 0.784 nan 8.230 nan 0.000 0.600 38 E N 2.228 122.465 120.200 0.062 0.000 2.357 38 E HA 0.151 4.499 4.350 -0.003 0.000 0.202 38 E C -0.284 176.339 176.600 0.038 0.000 0.855 38 E CA 0.294 56.732 56.400 0.063 0.000 1.048 38 E CB 0.593 30.314 29.700 0.035 0.000 1.037 38 E HN 0.605 nan 8.360 nan 0.000 0.499 39 V N 2.448 122.367 119.914 0.008 0.000 2.435 39 V HA 0.212 4.331 4.120 -0.003 0.000 0.290 39 V C -0.202 175.870 176.094 -0.037 0.000 1.030 39 V CA -0.628 61.660 62.300 -0.021 0.000 0.881 39 V CB 1.842 33.632 31.823 -0.055 0.000 0.983 39 V HN -0.069 nan 8.190 nan 0.000 0.445 40 V N 5.972 125.868 119.914 -0.030 0.000 2.304 40 V HA 0.286 4.404 4.120 -0.003 0.000 0.269 40 V C 0.409 176.459 176.094 -0.074 0.000 1.036 40 V CA -0.365 61.913 62.300 -0.036 0.000 0.840 40 V CB 1.047 32.865 31.823 -0.009 0.000 1.036 40 V HN 0.757 nan 8.190 nan 0.000 0.466 41 M N 4.843 124.369 119.600 -0.124 0.000 2.429 41 M HA 0.414 4.893 4.480 -0.003 0.000 0.334 41 M C 0.884 177.135 176.300 -0.082 0.000 1.560 41 M CA 0.960 56.165 55.300 -0.159 0.000 1.291 41 M CB -0.347 32.050 32.600 -0.338 0.000 1.754 41 M HN 0.991 nan 8.290 nan 0.000 0.456 42 G N 4.401 113.158 108.800 -0.071 0.000 2.337 42 G HA2 -0.151 3.808 3.960 -0.003 0.000 0.197 42 G HA3 -0.151 3.808 3.960 -0.003 0.000 0.197 42 G C -0.756 174.065 174.900 -0.133 0.000 1.238 42 G CA -0.923 44.131 45.100 -0.077 0.000 1.119 42 G HN 0.562 nan 8.290 nan 0.000 0.514 43 N N 0.072 118.643 118.700 -0.216 0.000 2.487 43 N HA 0.535 5.273 4.740 -0.003 0.000 0.292 43 N C -0.733 174.658 175.510 -0.199 0.000 1.108 43 N CA -0.437 52.391 53.050 -0.370 0.000 0.956 43 N CB 2.062 40.080 38.487 -0.783 0.000 1.176 43 N HN 0.593 nan 8.380 nan 0.000 0.484 44 L N 1.603 122.742 121.223 -0.139 0.000 2.353 44 L HA 0.277 4.615 4.340 -0.003 0.000 0.269 44 L C -0.242 176.631 176.870 0.005 0.000 1.085 44 L CA -0.187 54.635 54.840 -0.029 0.000 0.938 44 L CB -0.245 41.825 42.059 0.019 0.000 1.312 44 L HN 0.400 nan 8.230 nan 0.000 0.429 45 E N 5.223 125.424 120.200 0.001 0.000 2.089 45 E HA 0.378 4.726 4.350 -0.003 0.000 0.284 45 E C -0.818 175.828 176.600 0.076 0.000 1.023 45 E CA -0.095 56.327 56.400 0.037 0.000 0.819 45 E CB 1.135 30.847 29.700 0.020 0.000 1.076 45 E HN 0.522 nan 8.360 nan 0.000 0.396 46 I N 3.817 124.452 120.570 0.109 0.000 2.354 46 I HA 0.357 4.526 4.170 -0.003 0.000 0.286 46 I C -0.696 175.505 176.117 0.140 0.000 1.007 46 I CA -0.820 60.575 61.300 0.159 0.000 1.167 46 I CB 1.279 39.420 38.000 0.236 0.000 1.320 46 I HN 0.166 nan 8.210 nan 0.000 0.458 47 V N 7.135 127.118 119.914 0.115 0.000 2.733 47 V HA 0.355 4.474 4.120 -0.003 0.000 0.306 47 V C 0.318 176.453 176.094 0.069 0.000 1.084 47 V CA -0.592 61.750 62.300 0.071 0.000 0.905 47 V CB 2.306 34.154 31.823 0.042 0.000 1.010 47 V HN 0.755 nan 8.190 nan 0.000 0.424 48 L N 2.759 124.005 121.223 0.039 0.000 4.140 48 L HA -0.144 4.194 4.340 -0.003 0.000 0.406 48 L C 0.437 177.343 176.870 0.060 0.000 1.175 48 L CA 0.568 55.427 54.840 0.031 0.000 0.939 48 L CB -1.594 40.484 42.059 0.032 0.000 2.105 48 L HN 0.827 nan 8.230 nan 0.000 0.803 49 T N -0.542 114.070 114.554 0.097 0.000 2.856 49 T HA 0.539 4.888 4.350 -0.003 0.000 0.292 49 T C 0.899 175.686 174.700 0.145 0.000 0.980 49 T CA 0.102 62.311 62.100 0.182 0.000 1.091 49 T CB 1.630 70.752 68.868 0.422 0.000 0.936 49 T HN 0.323 nan 8.240 nan 0.000 0.503 50 G N 1.005 109.886 108.800 0.136 0.000 2.503 50 G HA2 0.236 4.195 3.960 -0.003 0.000 0.257 50 G HA3 0.236 4.195 3.960 -0.003 0.000 0.257 50 G C 1.177 176.143 174.900 0.110 0.000 1.214 50 G CA -0.572 44.594 45.100 0.109 0.000 0.839 50 G HN 0.969 nan 8.290 nan 0.000 0.559 51 H N 0.965 119.984 119.070 -0.085 0.000 2.362 51 H HA -0.120 4.434 4.556 -0.002 0.000 0.294 51 H C 0.179 175.498 175.328 -0.014 0.000 1.113 51 H CA 1.576 57.553 56.048 -0.120 0.000 1.253 51 H CB 0.012 29.421 29.762 -0.587 0.000 1.363 51 H HN 0.356 nan 8.280 nan 0.000 0.494 52 N N 1.542 119.735 118.700 -0.845 0.000 3.040 52 N HA 0.425 5.163 4.740 -0.003 0.000 0.305 52 N C -0.966 174.396 175.510 -0.247 0.000 1.611 52 N CA 0.297 53.032 53.050 -0.524 0.000 1.049 52 N CB 0.847 38.957 38.487 -0.628 0.000 1.342 52 N HN 0.508 nan 8.380 nan 0.000 0.497 53 A N 0.383 123.129 122.820 -0.124 0.000 2.292 53 A HA 0.266 4.584 4.320 -0.003 0.000 0.319 53 A C -0.142 177.370 177.584 -0.120 0.000 1.206 53 A CA -0.652 51.345 52.037 -0.066 0.000 0.835 53 A CB 0.829 19.842 19.000 0.021 0.000 1.164 53 A HN 0.204 nan 8.150 nan 0.000 0.505 54 D N 2.395 122.744 120.400 -0.086 0.000 2.349 54 D HA 0.154 4.792 4.640 -0.003 0.000 0.266 54 D C 0.339 176.471 176.300 -0.280 0.000 1.293 54 D CA 0.358 54.279 54.000 -0.132 0.000 0.926 54 D CB 0.156 40.935 40.800 -0.034 0.000 1.090 54 D HN 0.421 nan 8.370 nan 0.000 0.502 55 L N 3.005 123.942 121.223 -0.478 0.000 2.700 55 L HA 0.029 4.367 4.340 -0.003 0.000 0.234 55 L C 2.129 178.427 176.870 -0.953 0.000 1.156 55 L CA -0.080 54.259 54.840 -0.835 0.000 0.946 55 L CB -0.084 41.550 42.059 -0.709 0.000 1.216 55 L HN 0.382 nan 8.230 nan 0.000 0.493 56 S N 0.965 116.277 115.700 -0.648 0.000 2.382 56 S HA -0.242 4.227 4.470 -0.003 0.000 0.228 56 S C 2.025 176.384 174.600 -0.401 0.000 1.027 56 S CA 1.250 59.178 58.200 -0.453 0.000 0.991 56 S CB -0.487 62.554 63.200 -0.265 0.000 0.823 56 S HN 0.517 nan 8.310 nan 0.000 0.469 57 F N 1.855 121.767 119.950 -0.062 0.000 2.192 57 F HA 0.023 4.548 4.527 -0.003 0.000 0.301 57 F C 1.892 177.713 175.800 0.034 0.000 1.079 57 F CA 0.744 58.764 58.000 0.033 0.000 1.303 57 F CB -1.049 37.977 39.000 0.044 0.000 1.024 57 F HN 0.167 nan 8.300 nan 0.000 0.494 58 L N 1.064 122.160 121.223 -0.212 0.000 2.291 58 L HA -0.151 4.187 4.340 -0.003 0.000 0.214 58 L C 2.910 179.719 176.870 -0.103 0.000 1.120 58 L CA 1.249 56.053 54.840 -0.059 0.000 0.799 58 L CB -0.970 40.975 42.059 -0.190 0.000 0.925 58 L HN 0.421 nan 8.230 nan 0.000 0.446 59 Q N 0.448 120.087 119.800 -0.268 0.000 2.156 59 Q HA -0.266 4.072 4.340 -0.003 0.000 0.211 59 Q C 1.525 177.363 176.000 -0.271 0.000 0.995 59 Q CA 2.027 57.598 55.803 -0.387 0.000 0.877 59 Q CB -0.442 27.902 28.738 -0.658 0.000 0.920 59 Q HN 0.564 nan 8.270 nan 0.000 0.416 60 W N 1.328 122.607 121.300 -0.034 0.000 3.292 60 W HA 0.258 4.917 4.660 -0.002 0.000 0.263 60 W C 0.019 176.528 176.519 -0.016 0.000 1.318 60 W CA -0.509 56.824 57.345 -0.021 0.000 1.663 60 W CB 0.126 29.584 29.460 -0.004 0.000 1.114 60 W HN -0.086 nan 8.180 nan 0.000 0.706 61 V N 1.964 121.967 119.914 0.147 0.000 2.470 61 V HA 0.022 4.140 4.120 -0.003 0.000 0.276 61 V C 1.390 177.516 176.094 0.052 0.000 1.040 61 V CA 0.560 62.917 62.300 0.095 0.000 1.008 61 V CB 1.398 33.262 31.823 0.068 0.000 0.990 61 V HN 0.072 nan 8.190 nan 0.000 0.477 62 R N 3.284 123.815 120.500 0.053 0.000 2.142 62 R HA 0.226 4.565 4.340 -0.003 0.000 0.204 62 R C 0.685 177.000 176.300 0.025 0.000 1.059 62 R CA 0.337 56.458 56.100 0.035 0.000 1.055 62 R CB 0.555 30.882 30.300 0.044 0.000 0.976 62 R HN 0.804 nan 8.270 nan 0.000 0.483 63 E N 0.176 120.392 120.200 0.026 0.000 2.293 63 E HA 0.311 4.660 4.350 -0.003 0.000 0.270 63 E C -1.761 174.849 176.600 0.017 0.000 0.879 63 E CA -0.716 55.699 56.400 0.024 0.000 0.756 63 E CB 2.560 32.275 29.700 0.025 0.000 1.208 63 E HN -0.106 nan 8.360 nan 0.000 0.428 64 V N 3.732 123.660 119.914 0.023 0.000 2.407 64 V HA 0.129 4.247 4.120 -0.003 0.000 0.291 64 V C 1.141 177.245 176.094 0.016 0.000 1.018 64 V CA -0.167 62.141 62.300 0.014 0.000 0.842 64 V CB 1.350 33.189 31.823 0.026 0.000 0.996 64 V HN 0.998 nan 8.190 nan 0.000 0.426 65 T N 1.712 116.261 114.554 -0.010 0.000 2.857 65 T HA 0.013 4.362 4.350 -0.003 0.000 0.266 65 T C 1.334 176.045 174.700 0.018 0.000 1.048 65 T CA 1.055 63.154 62.100 -0.002 0.000 1.139 65 T CB 0.009 68.859 68.868 -0.029 0.000 0.874 65 T HN 0.730 nan 8.240 nan 0.000 0.455 66 G N 1.064 109.857 108.800 -0.011 0.000 3.137 66 G HA2 0.526 4.485 3.960 -0.003 0.000 0.163 66 G HA3 0.526 4.485 3.960 -0.003 0.000 0.163 66 G C -0.300 174.648 174.900 0.080 0.000 1.602 66 G CA -0.461 44.639 45.100 -0.001 0.000 1.067 66 G HN 0.646 nan 8.290 nan 0.000 0.568 67 Y N -2.273 118.082 120.300 0.091 0.000 2.631 67 Y HA 0.749 5.298 4.550 -0.002 0.000 0.328 67 Y C -0.643 175.313 175.900 0.093 0.000 1.118 67 Y CA -1.771 56.397 58.100 0.113 0.000 1.206 67 Y CB 1.339 39.897 38.460 0.163 0.000 1.337 67 Y HN 0.228 nan 8.280 nan 0.000 0.515 68 V N 3.075 123.199 119.914 0.351 0.000 2.357 68 V HA 0.358 4.476 4.120 -0.003 0.000 0.284 68 V C -1.061 175.212 176.094 0.299 0.000 1.018 68 V CA -0.548 61.889 62.300 0.228 0.000 0.841 68 V CB 1.055 32.975 31.823 0.162 0.000 0.991 68 V HN 0.685 nan 8.190 nan 0.000 0.437 69 L N 7.329 128.693 121.223 0.234 0.000 2.305 69 L HA 0.741 5.080 4.340 -0.003 0.000 0.284 69 L C -0.621 176.318 176.870 0.114 0.000 1.013 69 L CA -0.091 54.834 54.840 0.140 0.000 0.819 69 L CB 1.823 43.880 42.059 -0.003 0.000 1.227 69 L HN 0.393 nan 8.230 nan 0.000 0.417 70 V N 5.445 125.439 119.914 0.133 0.000 2.340 70 V HA 0.885 5.003 4.120 -0.003 0.000 0.277 70 V C -0.125 176.026 176.094 0.095 0.000 1.017 70 V CA -0.054 62.322 62.300 0.128 0.000 0.820 70 V CB 0.784 32.697 31.823 0.151 0.000 1.028 70 V HN 1.006 nan 8.190 nan 0.000 0.436 71 A N 5.211 128.070 122.820 0.065 0.000 2.486 71 A HA 0.862 5.181 4.320 -0.003 0.000 0.300 71 A C 0.106 177.688 177.584 -0.003 0.000 1.048 71 A CA -0.531 51.534 52.037 0.046 0.000 0.696 71 A CB 1.614 20.664 19.000 0.084 0.000 1.278 71 A HN 0.875 nan 8.150 nan 0.000 0.405 72 M N 0.180 119.760 119.600 -0.033 0.000 2.921 72 M HA -0.144 4.334 4.480 -0.003 0.000 0.206 72 M C -0.226 176.019 176.300 -0.092 0.000 0.574 72 M CA 0.776 56.041 55.300 -0.059 0.000 0.746 72 M CB -3.085 29.498 32.600 -0.027 0.000 2.693 72 M HN 0.861 nan 8.290 nan 0.000 0.439 73 N N 1.044 119.638 118.700 -0.177 0.000 2.483 73 N HA 0.527 5.266 4.740 -0.003 0.000 0.285 73 N C 0.217 175.523 175.510 -0.340 0.000 1.210 73 N CA -0.602 52.266 53.050 -0.303 0.000 0.931 73 N CB 0.918 39.048 38.487 -0.595 0.000 1.220 73 N HN 0.211 nan 8.380 nan 0.000 0.542 74 E N -0.435 119.592 120.200 -0.290 0.000 2.603 74 E HA 0.129 4.477 4.350 -0.003 0.000 0.211 74 E C -0.589 175.977 176.600 -0.057 0.000 0.995 74 E CA -0.277 56.051 56.400 -0.119 0.000 0.990 74 E CB 0.063 29.779 29.700 0.026 0.000 1.036 74 E HN 0.473 nan 8.360 nan 0.000 0.475 75 F N -1.109 118.882 119.950 0.069 0.000 2.406 75 F HA 0.384 4.910 4.527 -0.001 0.000 0.327 75 F C 1.408 177.248 175.800 0.067 0.000 1.153 75 F CA -0.850 57.180 58.000 0.050 0.000 1.218 75 F CB 0.548 39.548 39.000 0.000 0.000 1.215 75 F HN -0.321 nan 8.300 nan 0.000 0.570 76 S N -0.542 115.353 115.700 0.326 0.000 2.377 76 S HA 0.028 4.496 4.470 -0.003 0.000 0.223 76 S C 0.460 175.196 174.600 0.227 0.000 1.030 76 S CA 1.206 59.537 58.200 0.219 0.000 0.970 76 S CB -0.328 62.969 63.200 0.162 0.000 0.830 76 S HN 0.857 nan 8.310 nan 0.000 0.473 77 T N 0.779 115.473 114.554 0.234 0.000 2.893 77 T HA 0.593 4.941 4.350 -0.003 0.000 0.293 77 T C -1.065 173.689 174.700 0.091 0.000 1.027 77 T CA -0.703 61.489 62.100 0.154 0.000 0.988 77 T CB 1.933 70.834 68.868 0.055 0.000 1.043 77 T HN -0.020 nan 8.240 nan 0.000 0.461 78 L N 4.399 125.682 121.223 0.100 0.000 2.268 78 L HA 0.486 4.825 4.340 -0.003 0.000 0.289 78 L C -2.599 174.203 176.870 -0.115 0.000 1.064 78 L CA -2.342 52.483 54.840 -0.026 0.000 0.824 78 L CB 0.354 42.481 42.059 0.113 0.000 1.202 78 L HN 0.379 nan 8.230 nan 0.000 0.433 79 P HA 0.273 nan 4.420 nan 0.000 0.291 79 P C -0.778 176.392 177.300 -0.217 0.000 1.340 79 P CA 0.025 62.998 63.100 -0.211 0.000 0.799 79 P CB 0.649 32.196 31.700 -0.255 0.000 0.917 80 L N 6.155 127.265 121.223 -0.189 0.000 2.678 80 L HA 0.279 4.617 4.340 -0.003 0.000 0.250 80 L C -1.635 175.125 176.870 -0.184 0.000 1.455 80 L CA -1.620 53.116 54.840 -0.173 0.000 0.823 80 L CB 1.709 43.682 42.059 -0.142 0.000 1.107 80 L HN 0.120 nan 8.230 nan 0.000 0.514 81 P HA -0.113 nan 4.420 nan 0.000 0.216 81 P C 0.900 178.118 177.300 -0.137 0.000 1.150 81 P CA 1.353 64.352 63.100 -0.168 0.000 0.837 81 P CB 0.242 31.837 31.700 -0.175 0.000 0.786 82 N N -1.239 117.396 118.700 -0.108 0.000 2.236 82 N HA 0.043 4.781 4.740 -0.003 0.000 0.196 82 N C 0.340 175.818 175.510 -0.053 0.000 1.114 82 N CA -0.202 52.813 53.050 -0.058 0.000 0.859 82 N CB 0.034 38.522 38.487 0.001 0.000 0.982 82 N HN 0.109 nan 8.380 nan 0.000 0.493 83 L N 2.625 123.800 121.223 -0.079 0.000 2.597 83 L HA 0.029 4.367 4.340 -0.003 0.000 0.271 83 L C 1.293 178.122 176.870 -0.069 0.000 1.157 83 L CA 0.358 55.162 54.840 -0.060 0.000 0.928 83 L CB 0.354 42.372 42.059 -0.068 0.000 1.216 83 L HN -0.094 nan 8.230 nan 0.000 0.481 84 R N 3.361 123.838 120.500 -0.039 0.000 2.146 84 R HA 0.307 4.646 4.340 -0.003 0.000 0.206 84 R C -0.504 175.787 176.300 -0.016 0.000 1.049 84 R CA 0.359 56.428 56.100 -0.050 0.000 1.029 84 R CB 0.485 30.761 30.300 -0.041 0.000 0.949 84 R HN 0.475 nan 8.270 nan 0.000 0.471 85 V N 1.385 121.312 119.914 0.021 0.000 2.808 85 V HA 0.315 4.433 4.120 -0.003 0.000 0.308 85 V C -0.757 175.377 176.094 0.065 0.000 1.099 85 V CA -0.829 61.504 62.300 0.056 0.000 0.920 85 V CB 2.780 34.648 31.823 0.074 0.000 1.014 85 V HN -0.223 nan 8.190 nan 0.000 0.425 86 V N 4.795 124.765 119.914 0.092 0.000 2.487 86 V HA 0.495 4.614 4.120 -0.003 0.000 0.298 86 V C 0.838 176.997 176.094 0.108 0.000 1.028 86 V CA -0.529 61.833 62.300 0.103 0.000 0.860 86 V CB 1.742 33.646 31.823 0.135 0.000 0.991 86 V HN 0.834 nan 8.190 nan 0.000 0.427 87 R N 2.996 123.552 120.500 0.092 0.000 2.090 87 R HA 0.158 4.497 4.340 -0.003 0.000 0.219 87 R C 1.611 177.970 176.300 0.098 0.000 1.100 87 R CA 0.998 57.147 56.100 0.082 0.000 0.991 87 R CB 0.012 30.345 30.300 0.055 0.000 0.893 87 R HN 1.157 nan 8.270 nan 0.000 0.443 88 G N 1.145 110.019 108.800 0.124 0.000 2.221 88 G HA2 -0.282 3.677 3.960 -0.003 0.000 0.265 88 G HA3 -0.282 3.677 3.960 -0.003 0.000 0.265 88 G C 0.711 175.684 174.900 0.123 0.000 1.041 88 G CA 0.868 46.062 45.100 0.157 0.000 0.807 88 G HN 0.458 nan 8.290 nan 0.000 0.502 89 T N -2.642 111.968 114.554 0.094 0.000 2.962 89 T HA 0.124 4.472 4.350 -0.003 0.000 0.270 89 T C 0.983 175.739 174.700 0.093 0.000 1.088 89 T CA 1.750 63.895 62.100 0.074 0.000 1.127 89 T CB 0.348 69.247 68.868 0.051 0.000 0.883 89 T HN 0.679 nan 8.240 nan 0.000 0.493 90 Q N -0.130 119.752 119.800 0.136 0.000 2.377 90 Q HA 0.648 4.987 4.340 -0.003 0.000 0.271 90 Q C -2.024 174.210 176.000 0.390 0.000 1.077 90 Q CA -0.771 55.158 55.803 0.211 0.000 0.820 90 Q CB 2.622 31.481 28.738 0.200 0.000 1.347 90 Q HN 0.124 nan 8.270 nan 0.000 0.444 91 V N 4.190 124.284 119.914 0.301 0.000 2.524 91 V HA 0.260 4.379 4.120 -0.003 0.000 0.297 91 V C -1.358 174.631 176.094 -0.176 0.000 1.035 91 V CA -0.563 61.819 62.300 0.136 0.000 0.867 91 V CB 1.386 33.241 31.823 0.054 0.000 1.004 91 V HN 0.840 nan 8.190 nan 0.000 0.426 92 Y N 5.259 125.091 120.300 -0.780 0.000 2.597 92 Y HA 0.195 4.743 4.550 -0.004 0.000 0.336 92 Y C 1.333 177.062 175.900 -0.284 0.000 1.216 92 Y CA 1.545 59.136 58.100 -0.848 0.000 1.463 92 Y CB 0.522 38.297 38.460 -1.141 0.000 1.303 92 Y HN 0.937 nan 8.280 nan 0.000 0.576 93 D N 2.669 122.508 120.400 -0.934 0.000 3.028 93 D HA -0.249 4.390 4.640 -0.003 0.000 0.211 93 D C 1.008 177.126 176.300 -0.304 0.000 1.136 93 D CA 2.322 55.972 54.000 -0.582 0.000 0.987 93 D CB -1.290 39.370 40.800 -0.233 0.000 1.128 93 D HN 1.196 nan 8.370 nan 0.000 0.406 94 G N -0.653 107.974 108.800 -0.288 0.000 2.232 94 G HA2 -0.291 3.668 3.960 -0.003 0.000 0.226 94 G HA3 -0.291 3.668 3.960 -0.003 0.000 0.226 94 G C 0.749 175.481 174.900 -0.279 0.000 0.996 94 G CA 0.828 45.790 45.100 -0.230 0.000 0.626 94 G HN 0.577 nan 8.290 nan 0.000 0.509 95 K N -0.286 119.829 120.400 -0.475 0.000 2.850 95 K HA 0.474 4.792 4.320 -0.003 0.000 0.175 95 K C -0.898 175.245 176.600 -0.762 0.000 1.137 95 K CA -0.533 55.411 56.287 -0.573 0.000 1.125 95 K CB -0.275 31.892 32.500 -0.555 0.000 0.766 95 K HN 0.227 nan 8.250 nan 0.000 0.438 96 F N -0.135 119.843 119.950 0.047 0.000 2.477 96 F HA 0.525 5.051 4.527 -0.002 0.000 0.335 96 F C 1.083 176.950 175.800 0.112 0.000 1.130 96 F CA -0.925 57.147 58.000 0.119 0.000 0.948 96 F CB 2.140 41.306 39.000 0.276 0.000 1.154 96 F HN -0.007 nan 8.300 nan 0.000 0.439 97 A N 3.509 126.512 122.820 0.305 0.000 2.132 97 A HA 0.362 4.680 4.320 -0.003 0.000 0.213 97 A C 0.528 178.301 177.584 0.315 0.000 1.154 97 A CA 0.638 52.853 52.037 0.296 0.000 0.753 97 A CB 0.020 19.157 19.000 0.227 0.000 0.826 97 A HN 0.580 nan 8.150 nan 0.000 0.469 98 I N -1.142 119.600 120.570 0.286 0.000 2.498 98 I HA 0.431 4.599 4.170 -0.003 0.000 0.290 98 I C -1.608 174.642 176.117 0.220 0.000 1.032 98 I CA -0.419 61.009 61.300 0.213 0.000 1.073 98 I CB 1.925 39.973 38.000 0.080 0.000 1.251 98 I HN 0.153 nan 8.210 nan 0.000 0.426 99 F N 6.400 126.368 119.950 0.031 0.000 2.659 99 F HA 0.502 5.028 4.527 -0.003 0.000 0.342 99 F C -1.032 174.747 175.800 -0.035 0.000 1.168 99 F CA -0.465 57.505 58.000 -0.051 0.000 1.003 99 F CB 1.397 40.287 39.000 -0.184 0.000 1.267 99 F HN 0.033 nan 8.300 nan 0.000 0.463 100 V N 7.573 127.379 119.914 -0.179 0.000 2.357 100 V HA 0.467 4.586 4.120 -0.003 0.000 0.281 100 V C -0.453 175.569 176.094 -0.121 0.000 1.015 100 V CA -0.459 61.803 62.300 -0.065 0.000 0.827 100 V CB 1.427 33.234 31.823 -0.027 0.000 1.018 100 V HN 0.805 nan 8.190 nan 0.000 0.432 101 M N 5.212 124.807 119.600 -0.009 0.000 2.378 101 M HA 0.585 5.064 4.480 -0.003 0.000 0.289 101 M C -0.397 175.941 176.300 0.064 0.000 1.136 101 M CA -0.576 54.739 55.300 0.025 0.000 0.917 101 M CB 2.030 34.693 32.600 0.106 0.000 1.669 101 M HN 0.524 nan 8.290 nan 0.000 0.461 102 L N 2.902 124.170 121.223 0.074 0.000 3.717 102 L HA -0.247 4.091 4.340 -0.003 0.000 0.414 102 L C -0.350 176.511 176.870 -0.015 0.000 1.228 102 L CA 0.139 55.002 54.840 0.039 0.000 0.918 102 L CB -1.574 40.474 42.059 -0.018 0.000 1.865 102 L HN 0.797 nan 8.230 nan 0.000 0.922 103 N N 1.045 119.789 118.700 0.072 0.000 3.250 103 N HA 0.276 5.014 4.740 -0.003 0.000 0.307 103 N C -0.627 174.946 175.510 0.105 0.000 1.355 103 N CA 0.293 53.343 53.050 -0.000 0.000 1.192 103 N CB 0.163 38.615 38.487 -0.057 0.000 1.478 103 N HN 0.557 nan 8.380 nan 0.000 0.543 104 Y N -2.060 118.205 120.300 -0.058 0.000 2.565 104 Y HA 0.426 4.973 4.550 -0.005 0.000 0.330 104 Y C -1.692 174.196 175.900 -0.019 0.000 1.150 104 Y CA -1.233 56.846 58.100 -0.035 0.000 1.055 104 Y CB 1.001 39.443 38.460 -0.030 0.000 1.337 104 Y HN -0.185 nan 8.280 nan 0.000 0.457 105 N N 2.061 120.781 118.700 0.032 0.000 2.399 105 N HA 0.213 4.952 4.740 -0.003 0.000 0.280 105 N C -0.019 175.526 175.510 0.059 0.000 1.008 105 N CA -0.179 52.845 53.050 -0.044 0.000 0.894 105 N CB 2.451 40.929 38.487 -0.016 0.000 1.273 105 N HN 0.964 nan 8.380 nan 0.000 0.486 106 T N 0.859 115.435 114.554 0.037 0.000 2.699 106 T HA -0.131 4.217 4.350 -0.003 0.000 0.268 106 T C 1.404 176.125 174.700 0.035 0.000 1.036 106 T CA 1.089 63.236 62.100 0.078 0.000 1.147 106 T CB -0.019 68.881 68.868 0.053 0.000 0.862 106 T HN 0.517 nan 8.240 nan 0.000 0.446 107 N N 1.082 119.789 118.700 0.011 0.000 2.585 107 N HA 0.028 4.766 4.740 -0.003 0.000 0.188 107 N C 0.302 175.800 175.510 -0.019 0.000 1.102 107 N CA 0.475 53.524 53.050 -0.002 0.000 0.920 107 N CB 0.115 38.601 38.487 -0.002 0.000 0.963 107 N HN 0.293 nan 8.380 nan 0.000 0.447 108 S N -1.863 113.821 115.700 -0.027 0.000 2.705 108 S HA 0.192 4.660 4.470 -0.003 0.000 0.280 108 S C 0.532 175.056 174.600 -0.127 0.000 1.174 108 S CA -0.716 57.420 58.200 -0.107 0.000 0.823 108 S CB 1.764 64.891 63.200 -0.121 0.000 1.162 108 S HN 0.157 nan 8.310 nan 0.000 0.487 109 S N 0.779 116.319 115.700 -0.267 0.000 2.597 109 S HA 0.142 4.610 4.470 -0.003 0.000 0.224 109 S C -0.162 174.344 174.600 -0.157 0.000 0.955 109 S CA -0.207 57.884 58.200 -0.183 0.000 0.933 109 S CB -0.336 62.767 63.200 -0.161 0.000 0.788 109 S HN 0.647 nan 8.310 nan 0.000 0.488 110 H N 2.242 121.316 119.070 0.007 0.000 2.767 110 H HA 0.726 5.281 4.556 -0.002 0.000 0.316 110 H C 0.436 175.792 175.328 0.047 0.000 1.059 110 H CA 0.534 56.597 56.048 0.026 0.000 1.461 110 H CB 1.017 30.780 29.762 0.002 0.000 1.475 110 H HN 0.559 nan 8.280 nan 0.000 0.531 111 A N 2.791 125.712 122.820 0.169 0.000 2.540 111 A HA 0.288 4.606 4.320 -0.003 0.000 0.291 111 A C -1.494 176.131 177.584 0.069 0.000 1.083 111 A CA -0.804 51.300 52.037 0.112 0.000 0.650 111 A CB 1.076 20.152 19.000 0.128 0.000 1.292 111 A HN 0.448 nan 8.150 nan 0.000 0.435 112 L N 0.803 122.044 121.223 0.031 0.000 2.342 112 L HA 0.548 4.887 4.340 -0.003 0.000 0.285 112 L C 1.088 177.996 176.870 0.063 0.000 1.095 112 L CA 0.214 55.081 54.840 0.044 0.000 0.843 112 L CB 0.252 42.315 42.059 0.007 0.000 1.201 112 L HN 0.776 nan 8.230 nan 0.000 0.445 113 R N 2.051 122.603 120.500 0.087 0.000 2.066 113 R HA 0.144 4.482 4.340 -0.003 0.000 0.224 113 R C -0.213 176.142 176.300 0.093 0.000 1.122 113 R CA 1.035 57.176 56.100 0.067 0.000 0.974 113 R CB 0.159 30.501 30.300 0.071 0.000 0.871 113 R HN 0.739 nan 8.270 nan 0.000 0.435 114 Q N -0.109 119.772 119.800 0.134 0.000 2.331 114 Q HA 0.366 4.704 4.340 -0.003 0.000 0.272 114 Q C -1.234 174.868 176.000 0.170 0.000 1.062 114 Q CA -0.462 55.446 55.803 0.174 0.000 0.806 114 Q CB 2.370 31.225 28.738 0.195 0.000 1.312 114 Q HN 0.002 nan 8.270 nan 0.000 0.431 115 L N 2.860 124.206 121.223 0.206 0.000 2.401 115 L HA 0.235 4.574 4.340 -0.003 0.000 0.283 115 L C 0.425 177.328 176.870 0.055 0.000 1.151 115 L CA -0.325 54.612 54.840 0.161 0.000 0.942 115 L CB 0.109 42.321 42.059 0.256 0.000 1.283 115 L HN 0.494 nan 8.230 nan 0.000 0.442 116 R N 4.282 124.761 120.500 -0.034 0.000 4.902 116 R HA 0.113 4.451 4.340 -0.003 0.000 0.201 116 R C 0.018 176.106 176.300 -0.353 0.000 2.020 116 R CA 0.035 56.054 56.100 -0.135 0.000 1.674 116 R CB -0.528 29.714 30.300 -0.098 0.000 1.349 116 R HN 0.574 nan 8.270 nan 0.000 0.813 117 L N 0.752 121.553 121.223 -0.703 0.000 2.583 117 L HA 0.125 4.463 4.340 -0.003 0.000 0.239 117 L C 1.184 177.304 176.870 -1.250 0.000 1.347 117 L CA -0.181 54.086 54.840 -0.955 0.000 1.246 117 L CB -0.022 41.404 42.059 -1.056 0.000 1.496 117 L HN 0.052 nan 8.230 nan 0.000 0.413 118 T N -1.603 112.548 114.554 -0.671 0.000 3.007 118 T HA -0.160 4.188 4.350 -0.003 0.000 0.270 118 T C 1.657 176.261 174.700 -0.160 0.000 1.107 118 T CA 1.009 62.908 62.100 -0.335 0.000 1.118 118 T CB 0.056 68.835 68.868 -0.148 0.000 0.889 118 T HN 0.293 nan 8.240 nan 0.000 0.506 119 Q N -0.085 119.590 119.800 -0.208 0.000 2.217 119 Q HA 0.314 4.652 4.340 -0.003 0.000 0.217 119 Q C 0.107 176.034 176.000 -0.121 0.000 0.844 119 Q CA -0.242 55.486 55.803 -0.126 0.000 0.957 119 Q CB -0.066 28.605 28.738 -0.113 0.000 1.127 119 Q HN 0.303 nan 8.270 nan 0.000 0.503 120 L N 1.525 122.655 121.223 -0.156 0.000 2.827 120 L HA 0.001 4.339 4.340 -0.003 0.000 0.280 120 L C 0.519 177.386 176.870 -0.006 0.000 1.122 120 L CA 1.210 56.004 54.840 -0.076 0.000 1.044 120 L CB -0.034 41.966 42.059 -0.099 0.000 1.402 120 L HN 0.170 nan 8.230 nan 0.000 0.467 121 T N 3.775 118.284 114.554 -0.074 0.000 2.866 121 T HA 0.068 4.416 4.350 -0.003 0.000 0.250 121 T C 0.151 174.832 174.700 -0.032 0.000 1.033 121 T CA 0.977 62.985 62.100 -0.153 0.000 1.145 121 T CB 0.045 68.649 68.868 -0.441 0.000 0.866 121 T HN 0.761 nan 8.240 nan 0.000 0.434 122 E N 0.169 120.389 120.200 0.034 0.000 2.356 122 E HA 0.575 4.924 4.350 -0.003 0.000 0.275 122 E C -1.726 174.956 176.600 0.137 0.000 0.904 122 E CA -0.827 55.642 56.400 0.114 0.000 0.757 122 E CB 1.736 31.531 29.700 0.160 0.000 1.232 122 E HN 0.169 nan 8.360 nan 0.000 0.442 123 I N 3.251 123.919 120.570 0.162 0.000 2.362 123 I HA 0.179 4.347 4.170 -0.003 0.000 0.289 123 I C 0.770 176.967 176.117 0.134 0.000 0.994 123 I CA -0.602 60.796 61.300 0.163 0.000 1.158 123 I CB 1.357 39.482 38.000 0.209 0.000 1.315 123 I HN 0.592 nan 8.210 nan 0.000 0.451 124 L N 3.680 124.972 121.223 0.115 0.000 2.202 124 L HA 0.152 4.490 4.340 -0.003 0.000 0.205 124 L C 0.400 177.319 176.870 0.082 0.000 1.083 124 L CA 0.923 55.818 54.840 0.093 0.000 0.790 124 L CB 0.001 42.108 42.059 0.079 0.000 0.942 124 L HN 0.532 nan 8.230 nan 0.000 0.452 125 S N -1.288 114.464 115.700 0.086 0.000 2.546 125 S HA 0.721 5.189 4.470 -0.003 0.000 0.274 125 S C -0.321 174.328 174.600 0.082 0.000 1.121 125 S CA -0.266 57.976 58.200 0.071 0.000 0.887 125 S CB 2.156 65.391 63.200 0.058 0.000 1.094 125 S HN 0.407 nan 8.310 nan 0.000 0.474 126 G N 0.598 109.431 108.800 0.055 0.000 2.712 126 G HA2 0.325 4.283 3.960 -0.003 0.000 0.686 126 G HA3 0.325 4.283 3.960 -0.003 0.000 0.686 126 G C 0.028 174.976 174.900 0.080 0.000 1.181 126 G CA -0.495 44.630 45.100 0.041 0.000 0.762 126 G HN 1.046 nan 8.290 nan 0.000 0.641 127 G N -1.176 107.654 108.800 0.049 0.000 2.504 127 G HA2 0.742 4.700 3.960 -0.003 0.000 0.257 127 G HA3 0.742 4.700 3.960 -0.003 0.000 0.257 127 G C -0.370 174.692 174.900 0.271 0.000 1.451 127 G CA 0.163 45.348 45.100 0.142 0.000 1.059 127 G HN 1.620 nan 8.290 nan 0.000 0.550 128 V N -0.573 119.503 119.914 0.271 0.000 2.733 128 V HA 0.387 4.505 4.120 -0.003 0.000 0.306 128 V C -1.777 174.273 176.094 -0.073 0.000 1.084 128 V CA -0.588 61.709 62.300 -0.004 0.000 0.905 128 V CB 1.882 33.380 31.823 -0.541 0.000 1.010 128 V HN 0.635 nan 8.190 nan 0.000 0.424 129 Y N 5.837 125.837 120.300 -0.500 0.000 2.447 129 Y HA 0.685 5.233 4.550 -0.003 0.000 0.325 129 Y C -0.491 174.977 175.900 -0.720 0.000 0.976 129 Y CA -0.578 57.000 58.100 -0.870 0.000 1.280 129 Y CB 1.290 38.670 38.460 -1.801 0.000 1.104 129 Y HN 0.560 nan 8.280 nan 0.000 0.486 130 I N 6.044 126.198 120.570 -0.694 0.000 2.464 130 I HA 0.340 4.509 4.170 -0.003 0.000 0.277 130 I C -0.716 175.104 176.117 -0.496 0.000 1.040 130 I CA -0.279 60.734 61.300 -0.477 0.000 1.153 130 I CB 1.122 38.961 38.000 -0.268 0.000 1.274 130 I HN 0.530 nan 8.210 nan 0.000 0.469 131 E N 5.724 125.620 120.200 -0.507 0.000 2.340 131 E HA 0.348 4.697 4.350 -0.003 0.000 0.273 131 E C -0.561 175.949 176.600 -0.151 0.000 0.891 131 E CA -0.745 55.420 56.400 -0.392 0.000 0.757 131 E CB 1.889 31.215 29.700 -0.623 0.000 1.231 131 E HN 0.398 nan 8.360 nan 0.000 0.439 132 K N 1.379 121.734 120.400 -0.076 0.000 3.230 132 K HA -0.131 4.188 4.320 -0.003 0.000 0.285 132 K C -0.809 175.882 176.600 0.152 0.000 1.196 132 K CA 0.639 56.959 56.287 0.055 0.000 0.838 132 K CB -1.004 31.560 32.500 0.106 0.000 1.262 132 K HN 0.461 nan 8.250 nan 0.000 0.492 133 N N 1.307 120.025 118.700 0.031 0.000 2.767 133 N HA -0.000 4.738 4.740 -0.003 0.000 0.238 133 N C 0.365 175.790 175.510 -0.142 0.000 1.083 133 N CA 0.005 53.083 53.050 0.047 0.000 0.964 133 N CB 1.355 39.852 38.487 0.015 0.000 1.252 133 N HN 0.205 nan 8.380 nan 0.000 0.512 134 D N 2.019 122.124 120.400 -0.493 0.000 2.271 134 D HA -0.156 4.483 4.640 -0.003 0.000 0.207 134 D C 0.681 176.765 176.300 -0.361 0.000 0.983 134 D CA 1.554 55.129 54.000 -0.709 0.000 0.878 134 D CB 0.379 40.215 40.800 -1.607 0.000 0.920 134 D HN 0.299 nan 8.370 nan 0.000 0.479 135 K N -0.930 119.336 120.400 -0.224 0.000 2.438 135 K HA 0.166 4.484 4.320 -0.003 0.000 0.205 135 K C -0.584 175.969 176.600 -0.077 0.000 1.033 135 K CA -0.570 55.640 56.287 -0.128 0.000 1.089 135 K CB 0.836 33.288 32.500 -0.080 0.000 0.857 135 K HN 0.085 nan 8.250 nan 0.000 0.522 136 L N 1.545 122.727 121.223 -0.067 0.000 2.313 136 L HA 0.178 4.516 4.340 -0.003 0.000 0.282 136 L C -0.522 176.311 176.870 -0.062 0.000 1.092 136 L CA 0.005 54.830 54.840 -0.024 0.000 0.831 136 L CB 0.345 42.410 42.059 0.011 0.000 1.159 136 L HN 0.091 nan 8.230 nan 0.000 0.442 137 c N 4.256 122.802 118.600 -0.090 0.000 2.349 137 c HA 0.511 5.079 4.570 -0.003 0.000 0.361 137 c C 0.968 174.971 174.090 -0.145 0.000 1.189 137 c CA -0.209 55.948 56.329 -0.287 0.000 2.155 137 c CB 0.618 42.744 42.510 -0.640 0.000 2.336 137 c HN 1.038 nan 8.230 nan 0.000 0.540 138 H N -0.312 118.772 119.070 0.024 0.000 4.515 138 H HA -0.166 4.390 4.556 -0.001 0.000 0.114 138 H C 1.440 176.763 175.328 -0.009 0.000 0.658 138 H CA 1.793 57.840 56.048 -0.001 0.000 1.231 138 H CB -1.436 28.332 29.762 0.009 0.000 0.647 138 H HN 0.633 nan 8.280 nan 0.000 0.590 139 M N 1.587 121.285 119.600 0.164 0.000 2.435 139 M HA -0.082 4.396 4.480 -0.003 0.000 0.262 139 M C 1.387 177.800 176.300 0.188 0.000 1.065 139 M CA 1.873 57.310 55.300 0.227 0.000 1.076 139 M CB -0.760 32.000 32.600 0.266 0.000 1.403 139 M HN 0.384 nan 8.290 nan 0.000 0.454 140 D N -1.214 119.237 120.400 0.084 0.000 2.340 140 D HA -0.032 4.606 4.640 -0.003 0.000 0.220 140 D C 1.563 177.864 176.300 0.002 0.000 1.039 140 D CA 0.990 55.021 54.000 0.052 0.000 0.866 140 D CB -0.715 40.096 40.800 0.017 0.000 0.913 140 D HN 0.413 nan 8.370 nan 0.000 0.523 141 T N -2.363 112.161 114.554 -0.049 0.000 3.015 141 T HA 0.214 4.563 4.350 -0.003 0.000 0.250 141 T C 0.882 175.436 174.700 -0.245 0.000 1.057 141 T CA -0.404 61.625 62.100 -0.118 0.000 1.066 141 T CB -0.209 68.591 68.868 -0.113 0.000 0.959 141 T HN -0.040 nan 8.240 nan 0.000 0.488 142 I N 3.403 123.741 120.570 -0.386 0.000 2.533 142 I HA 0.141 4.310 4.170 -0.003 0.000 0.284 142 I C 0.288 176.086 176.117 -0.533 0.000 1.109 142 I CA -0.070 60.802 61.300 -0.713 0.000 1.412 142 I CB 0.610 37.812 38.000 -1.330 0.000 1.396 142 I HN 0.140 nan 8.210 nan 0.000 0.543 143 D N 6.411 126.555 120.400 -0.428 0.000 2.455 143 D HA -0.036 4.602 4.640 -0.003 0.000 0.234 143 D C 0.627 176.809 176.300 -0.197 0.000 1.224 143 D CA 0.096 53.965 54.000 -0.217 0.000 0.999 143 D CB 0.175 40.888 40.800 -0.145 0.000 1.072 143 D HN 0.430 nan 8.370 nan 0.000 0.514 144 W N 2.285 123.572 121.300 -0.022 0.000 2.381 144 W HA -0.038 4.620 4.660 -0.003 0.000 0.301 144 W C 2.372 178.917 176.519 0.043 0.000 1.205 144 W CA 0.107 57.469 57.345 0.029 0.000 1.285 144 W CB -0.025 29.462 29.460 0.046 0.000 1.133 144 W HN 0.303 nan 8.180 nan 0.000 0.521 145 R N 0.186 120.822 120.500 0.227 0.000 2.303 145 R HA -0.186 4.152 4.340 -0.003 0.000 0.225 145 R C 1.379 177.737 176.300 0.097 0.000 1.114 145 R CA 1.699 57.887 56.100 0.146 0.000 1.007 145 R CB -0.374 29.987 30.300 0.103 0.000 0.861 145 R HN 0.197 nan 8.270 nan 0.000 0.471 146 D N -0.246 120.192 120.400 0.064 0.000 2.183 146 D HA -0.031 4.607 4.640 -0.003 0.000 0.205 146 D C 1.425 177.766 176.300 0.068 0.000 0.962 146 D CA 0.742 54.765 54.000 0.038 0.000 0.849 146 D CB 0.242 41.032 40.800 -0.017 0.000 0.978 146 D HN 0.149 nan 8.370 nan 0.000 0.488 147 I N -0.084 120.548 120.570 0.103 0.000 3.059 147 I HA 0.023 4.192 4.170 -0.003 0.000 0.270 147 I C 0.318 176.548 176.117 0.189 0.000 1.238 147 I CA 0.042 61.434 61.300 0.153 0.000 1.478 147 I CB 0.566 38.698 38.000 0.220 0.000 1.097 147 I HN -0.111 nan 8.210 nan 0.000 0.455 148 V N 2.312 122.339 119.914 0.189 0.000 2.370 148 V HA 0.217 4.335 4.120 -0.003 0.000 0.279 148 V C 1.093 177.256 176.094 0.116 0.000 1.029 148 V CA -0.411 61.993 62.300 0.175 0.000 0.870 148 V CB 1.537 33.479 31.823 0.198 0.000 0.984 148 V HN 0.195 nan 8.190 nan 0.000 0.451 149 R N 1.883 122.443 120.500 0.099 0.000 2.127 149 R HA 0.070 4.408 4.340 -0.003 0.000 0.217 149 R C 0.520 176.854 176.300 0.056 0.000 1.074 149 R CA 0.275 56.413 56.100 0.064 0.000 0.991 149 R CB -0.158 30.175 30.300 0.056 0.000 0.895 149 R HN 0.654 nan 8.270 nan 0.000 0.450 150 D N 1.732 122.171 120.400 0.065 0.000 2.346 150 D HA -0.001 4.638 4.640 -0.003 0.000 0.260 150 D C 0.566 176.896 176.300 0.050 0.000 1.252 150 D CA 0.130 54.161 54.000 0.052 0.000 0.895 150 D CB 0.602 41.431 40.800 0.048 0.000 1.097 150 D HN -0.179 nan 8.370 nan 0.000 0.489 151 R N 2.413 122.937 120.500 0.040 0.000 2.346 151 R HA -0.002 4.336 4.340 -0.003 0.000 0.225 151 R C -0.351 175.969 176.300 0.033 0.000 0.987 151 R CA 0.339 56.462 56.100 0.038 0.000 1.106 151 R CB 0.120 30.439 30.300 0.032 0.000 1.090 151 R HN 0.457 nan 8.270 nan 0.000 0.502 152 D N -2.298 118.120 120.400 0.030 0.000 2.704 152 D HA 0.092 4.730 4.640 -0.003 0.000 0.291 152 D C -0.246 176.062 176.300 0.013 0.000 1.610 152 D CA -0.397 53.616 54.000 0.021 0.000 0.807 152 D CB -0.116 40.691 40.800 0.013 0.000 1.233 152 D HN -0.010 nan 8.370 nan 0.000 0.445 153 A N 0.456 123.291 122.820 0.024 0.000 2.498 153 A HA 0.330 4.648 4.320 -0.003 0.000 0.239 153 A C 0.297 177.897 177.584 0.027 0.000 1.068 153 A CA -0.039 52.006 52.037 0.013 0.000 0.766 153 A CB 0.247 19.275 19.000 0.046 0.000 1.003 153 A HN 0.175 nan 8.150 nan 0.000 0.497 154 E N 0.600 120.797 120.200 -0.004 0.000 2.223 154 E HA 0.390 4.738 4.350 -0.003 0.000 0.282 154 E C -1.013 175.696 176.600 0.182 0.000 1.046 154 E CA 0.268 56.711 56.400 0.071 0.000 0.857 154 E CB 0.441 30.161 29.700 0.034 0.000 1.055 154 E HN 0.486 nan 8.360 nan 0.000 0.409 155 I N 3.613 124.265 120.570 0.138 0.000 2.362 155 I HA 0.286 4.454 4.170 -0.003 0.000 0.289 155 I C -0.896 175.249 176.117 0.046 0.000 0.994 155 I CA -0.672 60.680 61.300 0.087 0.000 1.158 155 I CB 1.635 39.680 38.000 0.074 0.000 1.315 155 I HN 0.176 nan 8.210 nan 0.000 0.451 156 V N 7.165 127.049 119.914 -0.051 0.000 2.595 156 V HA 0.298 4.416 4.120 -0.003 0.000 0.269 156 V C -0.540 175.328 176.094 -0.376 0.000 0.982 156 V CA -0.487 61.714 62.300 -0.166 0.000 0.873 156 V CB 1.617 33.363 31.823 -0.128 0.000 1.051 156 V HN 0.416 nan 8.190 nan 0.000 0.466 157 V N 5.829 125.588 119.914 -0.258 0.000 2.417 157 V HA 0.795 4.914 4.120 -0.003 0.000 0.291 157 V C -0.089 175.896 176.094 -0.182 0.000 1.024 157 V CA -0.453 61.698 62.300 -0.248 0.000 0.861 157 V CB 1.708 33.467 31.823 -0.108 0.000 0.985 157 V HN 0.985 nan 8.190 nan 0.000 0.436 158 K N 2.633 122.905 120.400 -0.214 0.000 2.809 158 K HA 0.278 4.597 4.320 -0.003 0.000 0.293 158 K C -0.677 175.834 176.600 -0.148 0.000 1.061 158 K CA -0.808 55.389 56.287 -0.150 0.000 0.837 158 K CB 1.068 33.489 32.500 -0.131 0.000 1.524 158 K HN 0.413 nan 8.250 nan 0.000 0.370 159 D N 0.805 121.142 120.400 -0.105 0.000 2.740 159 D HA -0.176 4.462 4.640 -0.003 0.000 0.231 159 D C -0.933 175.305 176.300 -0.102 0.000 1.194 159 D CA 0.948 54.894 54.000 -0.091 0.000 0.673 159 D CB -0.523 40.234 40.800 -0.072 0.000 0.995 159 D HN 0.599 nan 8.370 nan 0.000 0.411 160 N N -0.728 117.910 118.700 -0.103 0.000 3.254 160 N HA 0.428 5.167 4.740 -0.003 0.000 0.344 160 N C 0.873 176.308 175.510 -0.124 0.000 1.417 160 N CA 0.012 52.996 53.050 -0.110 0.000 0.646 160 N CB -0.541 37.896 38.487 -0.083 0.000 1.493 160 N HN 0.192 nan 8.380 nan 0.000 0.547 161 G N 0.041 108.770 108.800 -0.119 0.000 2.583 161 G HA2 -0.035 3.923 3.960 -0.003 0.000 0.230 161 G HA3 -0.035 3.923 3.960 -0.003 0.000 0.230 161 G C 0.641 175.472 174.900 -0.116 0.000 1.249 161 G CA 0.299 45.321 45.100 -0.130 0.000 0.857 161 G HN 0.528 nan 8.290 nan 0.000 0.569 162 R N -0.932 119.501 120.500 -0.112 0.000 2.561 162 R HA 0.104 4.443 4.340 -0.003 0.000 0.213 162 R C 1.690 177.943 176.300 -0.077 0.000 0.885 162 R CA 0.669 56.715 56.100 -0.091 0.000 1.002 162 R CB 0.356 30.601 30.300 -0.093 0.000 1.432 162 R HN 0.581 nan 8.270 nan 0.000 0.651 163 S N -0.292 115.359 115.700 -0.080 0.000 2.562 163 S HA 0.274 4.742 4.470 -0.003 0.000 0.246 163 S C 0.155 174.714 174.600 -0.069 0.000 1.056 163 S CA -0.794 57.367 58.200 -0.064 0.000 1.042 163 S CB -0.441 62.728 63.200 -0.053 0.000 0.822 163 S HN 0.189 nan 8.310 nan 0.000 0.465 164 c N 3.648 122.190 118.600 -0.097 0.000 2.679 164 c HA 0.357 4.926 4.570 -0.003 0.000 0.417 164 c C -1.514 172.541 174.090 -0.059 0.000 1.302 164 c CA -0.761 55.487 56.329 -0.135 0.000 1.973 164 c CB -0.513 41.848 42.510 -0.249 0.000 2.715 164 c HN 0.481 nan 8.230 nan 0.000 0.628 165 P HA 0.328 nan 4.420 nan 0.000 0.274 165 P C -2.482 174.909 177.300 0.153 0.000 1.231 165 P CA -0.904 62.242 63.100 0.076 0.000 0.790 165 P CB -0.258 31.513 31.700 0.118 0.000 0.951 166 P HA 0.111 nan 4.420 nan 0.000 0.274 166 P C -0.396 176.941 177.300 0.061 0.000 1.237 166 P CA -0.374 62.766 63.100 0.066 0.000 0.793 166 P CB 0.319 32.023 31.700 0.007 0.000 0.977 167 c N 1.448 120.052 118.600 0.007 0.000 2.665 167 c HA 0.011 4.579 4.570 -0.003 0.000 0.416 167 c C 1.349 175.428 174.090 -0.018 0.000 1.305 167 c CA -0.112 56.185 56.329 -0.053 0.000 1.903 167 c CB -1.347 41.117 42.510 -0.077 0.000 2.704 167 c HN 0.559 nan 8.230 nan 0.000 0.629 168 H N 1.849 120.875 119.070 -0.073 0.000 3.038 168 H HA -0.050 4.505 4.556 -0.003 0.000 0.338 168 H C 1.401 176.699 175.328 -0.049 0.000 1.041 168 H CA 1.246 57.263 56.048 -0.051 0.000 1.394 168 H CB 0.668 30.401 29.762 -0.050 0.000 1.357 168 H HN 0.862 nan 8.280 nan 0.000 0.600 169 E N 2.253 122.346 120.200 -0.178 0.000 2.273 169 E HA -0.132 4.216 4.350 -0.003 0.000 0.198 169 E C 1.485 178.115 176.600 0.050 0.000 1.002 169 E CA 1.268 57.630 56.400 -0.063 0.000 0.828 169 E CB -0.070 29.562 29.700 -0.112 0.000 0.747 169 E HN 0.299 nan 8.360 nan 0.000 0.491 170 V N 0.283 120.313 119.914 0.195 0.000 3.129 170 V HA -0.138 3.981 4.120 -0.003 0.000 0.259 170 V C 1.934 178.051 176.094 0.037 0.000 1.116 170 V CA 1.029 63.399 62.300 0.117 0.000 1.127 170 V CB -0.015 31.876 31.823 0.114 0.000 0.742 170 V HN 0.580 nan 8.190 nan 0.000 0.474 171 c N -0.671 117.946 118.600 0.028 0.000 2.539 171 c HA 0.148 4.716 4.570 -0.003 0.000 0.268 171 c C 1.516 175.573 174.090 -0.055 0.000 1.395 171 c CA -0.355 55.954 56.329 -0.033 0.000 1.757 171 c CB -1.115 41.361 42.510 -0.057 0.000 1.851 171 c HN 0.637 nan 8.230 nan 0.000 0.545 172 K N -0.385 119.993 120.400 -0.037 0.000 3.125 172 K HA -0.180 4.138 4.320 -0.003 0.000 0.268 172 K C 0.904 177.467 176.600 -0.062 0.000 1.078 172 K CA 0.318 56.579 56.287 -0.043 0.000 0.775 172 K CB -1.742 30.734 32.500 -0.039 0.000 1.253 172 K HN 0.790 nan 8.250 nan 0.000 0.486 173 G N -0.173 108.586 108.800 -0.067 0.000 2.195 173 G HA2 -0.330 3.628 3.960 -0.003 0.000 0.246 173 G HA3 -0.330 3.628 3.960 -0.003 0.000 0.246 173 G C -0.052 174.777 174.900 -0.118 0.000 0.984 173 G CA 0.414 45.468 45.100 -0.078 0.000 0.633 173 G HN 0.319 nan 8.290 nan 0.000 0.525 174 R N 0.457 120.863 120.500 -0.157 0.000 2.422 174 R HA 0.594 4.932 4.340 -0.003 0.000 0.307 174 R C -0.059 176.050 176.300 -0.318 0.000 1.004 174 R CA 0.087 56.035 56.100 -0.254 0.000 0.882 174 R CB 1.076 31.216 30.300 -0.266 0.000 1.164 174 R HN 0.681 nan 8.270 nan 0.000 0.489 175 c N -0.544 117.825 118.600 -0.385 0.000 2.994 175 c HA 0.586 5.155 4.570 -0.003 0.000 0.305 175 c C 0.139 173.945 174.090 -0.473 0.000 1.251 175 c CA -1.167 54.919 56.329 -0.405 0.000 1.478 175 c CB 0.717 43.029 42.510 -0.330 0.000 1.922 175 c HN 1.066 nan 8.230 nan 0.000 0.472 176 W N 1.516 122.721 121.300 -0.158 0.000 3.278 176 W HA 0.523 5.181 4.660 -0.003 0.000 0.308 176 W C 1.033 177.497 176.519 -0.091 0.000 1.253 176 W CA 0.424 57.724 57.345 -0.075 0.000 1.759 176 W CB 0.346 29.777 29.460 -0.048 0.000 1.093 176 W HN 1.209 nan 8.180 nan 0.000 0.648 177 G N -0.212 108.510 108.800 -0.130 0.000 2.649 177 G HA2 0.333 4.291 3.960 -0.003 0.000 0.290 177 G HA3 0.333 4.291 3.960 -0.003 0.000 0.290 177 G C -2.391 172.278 174.900 -0.386 0.000 1.426 177 G CA -0.874 44.144 45.100 -0.137 0.000 0.794 177 G HN -0.382 nan 8.290 nan 0.000 0.483 178 P HA 0.138 nan 4.420 nan 0.000 0.230 178 P C 1.096 178.411 177.300 0.025 0.000 1.168 178 P CA 0.698 63.791 63.100 -0.011 0.000 0.793 178 P CB 0.571 32.347 31.700 0.127 0.000 0.851 179 G N 0.446 109.250 108.800 0.006 0.000 2.528 179 G HA2 0.261 4.220 3.960 -0.003 0.000 0.289 179 G HA3 0.261 4.220 3.960 -0.003 0.000 0.289 179 G C 1.072 175.919 174.900 -0.088 0.000 1.192 179 G CA 0.115 45.213 45.100 -0.003 0.000 0.921 179 G HN 0.108 nan 8.290 nan 0.000 0.512 180 S N -1.011 114.515 115.700 -0.291 0.000 2.500 180 S HA -0.077 4.391 4.470 -0.003 0.000 0.239 180 S C 1.064 175.533 174.600 -0.218 0.000 0.989 180 S CA 1.574 59.473 58.200 -0.503 0.000 0.951 180 S CB -0.097 62.587 63.200 -0.860 0.000 0.759 180 S HN 0.569 nan 8.310 nan 0.000 0.523 181 E N 0.584 120.706 120.200 -0.130 0.000 2.624 181 E HA 0.268 4.617 4.350 -0.003 0.000 0.210 181 E C -0.407 176.177 176.600 -0.027 0.000 0.997 181 E CA -0.163 56.194 56.400 -0.073 0.000 0.999 181 E CB 0.063 29.723 29.700 -0.066 0.000 1.040 181 E HN 0.411 nan 8.360 nan 0.000 0.469 182 D N 0.281 120.671 120.400 -0.018 0.000 2.463 182 D HA 0.098 4.736 4.640 -0.003 0.000 0.224 182 D C -0.325 176.026 176.300 0.085 0.000 1.174 182 D CA -0.297 53.734 54.000 0.052 0.000 0.829 182 D CB -0.262 40.553 40.800 0.025 0.000 0.993 182 D HN 0.151 nan 8.370 nan 0.000 0.497 183 c N 1.286 119.902 118.600 0.027 0.000 2.676 183 c HA 0.143 4.711 4.570 -0.003 0.000 0.416 183 c C 0.935 175.021 174.090 -0.006 0.000 1.299 183 c CA -0.613 55.694 56.329 -0.035 0.000 2.048 183 c CB 0.273 42.757 42.510 -0.042 0.000 2.713 183 c HN 0.300 nan 8.230 nan 0.000 0.624 184 Q N 1.899 121.564 119.800 -0.226 0.000 2.279 184 Q HA 0.372 4.711 4.340 -0.003 0.000 0.256 184 Q C -0.051 175.875 176.000 -0.124 0.000 0.937 184 Q CA 0.101 55.774 55.803 -0.216 0.000 0.933 184 Q CB 0.978 29.375 28.738 -0.567 0.000 1.189 184 Q HN 0.909 nan 8.270 nan 0.000 0.417 185 T N 1.508 116.033 114.554 -0.047 0.000 2.824 185 T HA 0.492 4.840 4.350 -0.003 0.000 0.280 185 T C 0.285 174.957 174.700 -0.046 0.000 0.995 185 T CA -0.822 61.251 62.100 -0.046 0.000 1.009 185 T CB 0.806 69.661 68.868 -0.022 0.000 0.955 185 T HN 0.517 nan 8.240 nan 0.000 0.452 186 L N 2.457 123.654 121.223 -0.044 0.000 2.483 186 L HA 0.251 4.590 4.340 -0.003 0.000 0.275 186 L C 1.468 178.340 176.870 0.003 0.000 1.220 186 L CA -0.205 54.617 54.840 -0.029 0.000 0.833 186 L CB 0.245 42.291 42.059 -0.023 0.000 1.102 186 L HN 0.907 nan 8.230 nan 0.000 0.490 187 T N -0.976 113.593 114.554 0.024 0.000 3.174 187 T HA 0.085 4.434 4.350 -0.003 0.000 0.252 187 T C 0.641 175.408 174.700 0.112 0.000 0.984 187 T CA -0.136 62.009 62.100 0.075 0.000 1.113 187 T CB 0.272 69.177 68.868 0.061 0.000 1.088 187 T HN 0.343 nan 8.240 nan 0.000 0.442 188 K N 1.767 122.215 120.400 0.080 0.000 2.336 188 K HA 0.364 4.682 4.320 -0.003 0.000 0.262 188 K C -0.751 175.877 176.600 0.046 0.000 0.992 188 K CA 0.571 56.898 56.287 0.065 0.000 0.927 188 K CB 0.516 33.042 32.500 0.044 0.000 0.956 188 K HN 0.059 nan 8.250 nan 0.000 0.495 189 T N 2.430 117.004 114.554 0.033 0.000 3.293 189 T HA 0.272 4.620 4.350 -0.003 0.000 0.320 189 T C -0.458 174.243 174.700 0.002 0.000 0.995 189 T CA -0.720 61.392 62.100 0.018 0.000 1.041 189 T CB 0.378 69.260 68.868 0.024 0.000 1.058 189 T HN 0.408 nan 8.240 nan 0.000 0.453 190 I N 2.019 122.588 120.570 -0.001 0.000 2.919 190 I HA 0.153 4.322 4.170 -0.003 0.000 0.303 190 I C 0.470 176.577 176.117 -0.016 0.000 1.221 190 I CA -0.083 61.214 61.300 -0.006 0.000 1.444 190 I CB -0.046 37.951 38.000 -0.005 0.000 1.331 190 I HN 0.465 nan 8.210 nan 0.000 0.572 191 c N 4.534 123.124 118.600 -0.016 0.000 2.802 191 c HA 0.762 5.330 4.570 -0.003 0.000 0.307 191 c C 0.528 174.604 174.090 -0.024 0.000 1.222 191 c CA -0.639 55.674 56.329 -0.027 0.000 1.580 191 c CB 1.639 44.132 42.510 -0.028 0.000 2.119 191 c HN 0.941 nan 8.230 nan 0.000 0.479 192 A N 3.728 126.527 122.820 -0.036 0.000 2.401 192 A HA 0.492 4.810 4.320 -0.003 0.000 0.259 192 A C -1.295 176.276 177.584 -0.021 0.000 1.103 192 A CA -0.560 51.458 52.037 -0.032 0.000 0.789 192 A CB -0.209 18.764 19.000 -0.046 0.000 1.035 192 A HN 0.746 nan 8.150 nan 0.000 0.491 193 P HA -0.347 nan 4.420 nan 0.000 0.221 193 P C 1.586 178.880 177.300 -0.011 0.000 1.107 193 P CA 2.304 65.399 63.100 -0.010 0.000 0.986 193 P CB -0.013 31.680 31.700 -0.011 0.000 0.774 194 Q N -1.253 118.536 119.800 -0.018 0.000 2.118 194 Q HA -0.201 4.138 4.340 -0.003 0.000 0.211 194 Q C 0.073 176.062 176.000 -0.019 0.000 0.998 194 Q CA 1.541 57.332 55.803 -0.021 0.000 0.872 194 Q CB -0.479 28.243 28.738 -0.027 0.000 0.925 194 Q HN 0.267 nan 8.270 nan 0.000 0.414 195 c N 2.139 120.729 118.600 -0.017 0.000 2.585 195 c HA 0.187 4.756 4.570 -0.003 0.000 0.406 195 c C 0.305 174.416 174.090 0.033 0.000 1.312 195 c CA -0.950 55.381 56.329 0.004 0.000 1.924 195 c CB -0.130 42.376 42.510 -0.007 0.000 2.578 195 c HN 0.419 nan 8.230 nan 0.000 0.580 196 N N 1.736 120.472 118.700 0.059 0.000 2.802 196 N HA 0.228 4.966 4.740 -0.003 0.000 0.288 196 N C 1.257 176.911 175.510 0.240 0.000 1.268 196 N CA 0.823 53.925 53.050 0.087 0.000 1.035 196 N CB 0.489 38.983 38.487 0.013 0.000 1.353 196 N HN 1.140 nan 8.380 nan 0.000 0.522 197 G N 0.358 109.265 108.800 0.179 0.000 2.195 197 G HA2 -0.193 3.766 3.960 -0.003 0.000 0.224 197 G HA3 -0.193 3.766 3.960 -0.003 0.000 0.224 197 G C -0.187 174.693 174.900 -0.032 0.000 0.990 197 G CA -0.404 44.754 45.100 0.097 0.000 0.639 197 G HN 0.575 nan 8.290 nan 0.000 0.514 198 H N 0.406 119.467 119.070 -0.015 0.000 2.685 198 H HA 0.552 5.107 4.556 -0.003 0.000 0.307 198 H C 0.275 175.588 175.328 -0.026 0.000 1.017 198 H CA 0.132 56.170 56.048 -0.017 0.000 1.237 198 H CB 0.988 30.739 29.762 -0.018 0.000 1.409 198 H HN 0.835 nan 8.280 nan 0.000 0.488 199 c N 1.691 120.311 118.600 0.033 0.000 3.292 199 c HA 0.371 4.939 4.570 -0.003 0.000 0.338 199 c C 0.200 174.298 174.090 0.012 0.000 1.323 199 c CA -1.047 55.260 56.329 -0.037 0.000 1.232 199 c CB 0.067 42.515 42.510 -0.102 0.000 1.517 199 c HN 0.806 nan 8.230 nan 0.000 0.470 200 F N -0.137 119.800 119.950 -0.022 0.000 2.706 200 F HA 0.736 5.261 4.527 -0.003 0.000 0.313 200 F C 0.468 176.279 175.800 0.017 0.000 1.096 200 F CA 0.157 58.150 58.000 -0.012 0.000 1.219 200 F CB 0.150 39.133 39.000 -0.028 0.000 1.051 200 F HN 1.190 nan 8.300 nan 0.000 0.568 201 G N 0.052 108.711 108.800 -0.236 0.000 2.550 201 G HA2 0.422 4.381 3.960 -0.003 0.000 0.293 201 G HA3 0.422 4.381 3.960 -0.003 0.000 0.293 201 G C -2.759 172.044 174.900 -0.163 0.000 1.402 201 G CA -1.104 43.919 45.100 -0.129 0.000 0.784 201 G HN -0.311 nan 8.290 nan 0.000 0.482 202 P HA 0.005 nan 4.420 nan 0.000 0.226 202 P C 0.374 177.618 177.300 -0.094 0.000 1.153 202 P CA 0.304 63.358 63.100 -0.076 0.000 0.777 202 P CB 0.091 31.765 31.700 -0.042 0.000 0.794 203 N N 0.338 118.961 118.700 -0.128 0.000 2.415 203 N HA 0.037 4.775 4.740 -0.003 0.000 0.248 203 N C -1.711 173.724 175.510 -0.124 0.000 1.271 203 N CA -1.530 51.451 53.050 -0.114 0.000 0.913 203 N CB -0.558 37.861 38.487 -0.114 0.000 1.129 203 N HN 0.035 nan 8.380 nan 0.000 0.444 204 P HA 0.002 nan 4.420 nan 0.000 0.245 204 P C 0.601 177.854 177.300 -0.078 0.000 1.212 204 P CA 0.613 63.669 63.100 -0.073 0.000 0.774 204 P CB 0.102 31.775 31.700 -0.045 0.000 0.999 205 N N -0.028 118.616 118.700 -0.093 0.000 2.299 205 N HA -0.038 4.701 4.740 -0.003 0.000 0.187 205 N C 0.580 176.006 175.510 -0.140 0.000 1.099 205 N CA 0.273 53.280 53.050 -0.073 0.000 0.867 205 N CB 0.039 38.505 38.487 -0.034 0.000 0.974 205 N HN 0.173 nan 8.380 nan 0.000 0.477 206 Q N 0.914 120.511 119.800 -0.337 0.000 2.341 206 Q HA 0.247 4.586 4.340 -0.003 0.000 0.325 206 Q C -0.547 175.044 176.000 -0.681 0.000 0.920 206 Q CA -0.399 54.866 55.803 -0.896 0.000 1.065 206 Q CB 0.458 28.442 28.738 -1.257 0.000 1.218 206 Q HN 0.295 nan 8.270 nan 0.000 0.434 207 c N 0.733 119.209 118.600 -0.206 0.000 2.644 207 c HA 0.178 4.747 4.570 -0.003 0.000 0.417 207 c C 1.185 175.352 174.090 0.128 0.000 1.304 207 c CA -0.882 55.421 56.329 -0.044 0.000 2.035 207 c CB -0.057 42.443 42.510 -0.016 0.000 2.673 207 c HN 0.601 nan 8.230 nan 0.000 0.602 208 c N 3.895 122.580 118.600 0.143 0.000 2.676 208 c HA 0.082 4.650 4.570 -0.003 0.000 0.416 208 c C 1.019 175.185 174.090 0.127 0.000 1.299 208 c CA -0.120 56.316 56.329 0.178 0.000 2.048 208 c CB -0.756 41.838 42.510 0.141 0.000 2.713 208 c HN 0.846 nan 8.230 nan 0.000 0.624 209 H N 2.981 122.086 119.070 0.059 0.000 2.897 209 H HA -0.029 4.526 4.556 -0.003 0.000 0.347 209 H C 1.030 176.364 175.328 0.010 0.000 1.068 209 H CA 0.688 56.755 56.048 0.032 0.000 1.426 209 H CB 0.729 30.503 29.762 0.021 0.000 1.410 209 H HN 0.727 nan 8.280 nan 0.000 0.597 210 D N 3.652 123.727 120.400 -0.541 0.000 2.220 210 D HA -0.188 4.451 4.640 -0.003 0.000 0.198 210 D C 1.008 177.269 176.300 -0.065 0.000 1.001 210 D CA 1.007 54.837 54.000 -0.284 0.000 0.875 210 D CB 0.229 40.837 40.800 -0.320 0.000 0.921 210 D HN 0.614 nan 8.370 nan 0.000 0.454 211 E N -0.045 120.263 120.200 0.179 0.000 2.502 211 E HA 0.013 4.361 4.350 -0.003 0.000 0.194 211 E C 0.317 176.968 176.600 0.084 0.000 1.062 211 E CA -0.070 56.442 56.400 0.186 0.000 0.867 211 E CB 0.003 29.876 29.700 0.289 0.000 0.888 211 E HN 0.275 nan 8.360 nan 0.000 0.510 212 c N 1.151 119.805 118.600 0.091 0.000 2.585 212 c HA 0.337 4.905 4.570 -0.003 0.000 0.406 212 c C 2.029 176.168 174.090 0.082 0.000 1.312 212 c CA -0.219 56.152 56.329 0.069 0.000 1.924 212 c CB 0.618 43.169 42.510 0.069 0.000 2.578 212 c HN 0.382 nan 8.230 nan 0.000 0.580 213 A N 3.360 126.212 122.820 0.054 0.000 1.902 213 A HA 0.256 4.574 4.320 -0.003 0.000 0.217 213 A C 1.524 179.208 177.584 0.167 0.000 1.181 213 A CA 2.064 54.141 52.037 0.068 0.000 0.623 213 A CB -0.512 18.507 19.000 0.032 0.000 0.818 213 A HN 1.052 nan 8.150 nan 0.000 0.443 214 G N -2.218 106.651 108.800 0.115 0.000 3.324 214 G HA2 0.469 4.427 3.960 -0.003 0.000 0.188 214 G HA3 0.469 4.427 3.960 -0.003 0.000 0.188 214 G C 0.510 175.369 174.900 -0.070 0.000 1.384 214 G CA 0.300 45.406 45.100 0.011 0.000 0.841 214 G HN 0.789 nan 8.290 nan 0.000 0.758 215 G N -1.154 107.616 108.800 -0.050 0.000 2.580 215 G HA2 0.516 4.474 3.960 -0.003 0.000 0.278 215 G HA3 0.516 4.474 3.960 -0.003 0.000 0.278 215 G C -0.018 174.240 174.900 -1.069 0.000 1.212 215 G CA 0.463 45.355 45.100 -0.346 0.000 0.939 215 G HN 1.536 nan 8.290 nan 0.000 0.513 216 c N -2.519 115.435 118.600 -1.077 0.000 3.340 216 c HA 0.846 5.415 4.570 -0.003 0.000 0.333 216 c C 0.789 174.565 174.090 -0.524 0.000 1.464 216 c CA -0.021 55.752 56.329 -0.927 0.000 1.337 216 c CB 1.333 43.668 42.510 -0.292 0.000 1.740 216 c HN 1.050 nan 8.230 nan 0.000 0.450 217 S N -0.782 114.752 115.700 -0.278 0.000 2.937 217 S HA 0.658 5.126 4.470 -0.003 0.000 0.252 217 S C 0.140 174.430 174.600 -0.516 0.000 1.022 217 S CA 0.371 58.484 58.200 -0.145 0.000 1.079 217 S CB -0.054 63.204 63.200 0.097 0.000 1.035 217 S HN 2.383 nan 8.310 nan 0.000 0.594 218 G N 1.722 110.007 108.800 -0.858 0.000 2.356 218 G HA2 0.509 4.468 3.960 -0.003 0.000 0.294 218 G HA3 0.509 4.468 3.960 -0.003 0.000 0.294 218 G C -3.181 171.341 174.900 -0.631 0.000 1.423 218 G CA -0.798 43.656 45.100 -1.077 0.000 0.806 218 G HN -0.108 nan 8.290 nan 0.000 0.527 219 P HA 0.113 nan 4.420 nan 0.000 0.255 219 P C 0.070 177.439 177.300 0.115 0.000 1.248 219 P CA 0.434 63.632 63.100 0.163 0.000 0.807 219 P CB 0.480 32.330 31.700 0.249 0.000 1.150 220 Q N -0.166 119.630 119.800 -0.006 0.000 2.195 220 Q HA 0.152 4.491 4.340 -0.003 0.000 0.250 220 Q C 0.467 176.391 176.000 -0.127 0.000 0.988 220 Q CA -0.718 55.056 55.803 -0.048 0.000 0.911 220 Q CB 0.750 29.443 28.738 -0.075 0.000 1.258 220 Q HN -0.162 nan 8.270 nan 0.000 0.475 221 D N 0.668 120.884 120.400 -0.306 0.000 2.149 221 D HA -0.126 4.513 4.640 -0.003 0.000 0.194 221 D C 1.165 177.385 176.300 -0.132 0.000 1.001 221 D CA 1.709 55.519 54.000 -0.316 0.000 0.849 221 D CB 0.006 40.627 40.800 -0.299 0.000 0.939 221 D HN 0.444 nan 8.370 nan 0.000 0.449 222 T N 0.243 114.739 114.554 -0.098 0.000 3.169 222 T HA 0.004 4.352 4.350 -0.003 0.000 0.250 222 T C 0.195 174.871 174.700 -0.041 0.000 1.111 222 T CA 0.192 62.260 62.100 -0.053 0.000 1.010 222 T CB 0.154 68.995 68.868 -0.045 0.000 0.984 222 T HN 0.065 nan 8.240 nan 0.000 0.537 223 D N 0.128 120.491 120.400 -0.062 0.000 2.431 223 D HA 0.183 4.822 4.640 -0.003 0.000 0.213 223 D C 0.312 176.563 176.300 -0.082 0.000 1.130 223 D CA -0.176 53.781 54.000 -0.073 0.000 0.834 223 D CB -0.098 40.612 40.800 -0.150 0.000 0.985 223 D HN 0.327 nan 8.370 nan 0.000 0.504 224 c N 0.419 118.991 118.600 -0.048 0.000 2.652 224 c HA 0.192 4.761 4.570 -0.003 0.000 0.412 224 c C 2.084 176.218 174.090 0.072 0.000 1.294 224 c CA -0.487 55.807 56.329 -0.059 0.000 2.127 224 c CB -0.359 42.151 42.510 -0.000 0.000 2.691 224 c HN 0.288 nan 8.230 nan 0.000 0.615 225 F N 1.228 121.201 119.950 0.038 0.000 2.293 225 F HA 0.201 4.727 4.527 -0.003 0.000 0.297 225 F C 1.398 177.215 175.800 0.029 0.000 1.089 225 F CA 0.508 58.527 58.000 0.032 0.000 1.377 225 F CB 0.038 39.060 39.000 0.037 0.000 1.051 225 F HN 0.698 nan 8.300 nan 0.000 0.511 226 A N -0.950 121.986 122.820 0.194 0.000 2.566 226 A HA 0.495 4.813 4.320 -0.003 0.000 0.297 226 A C -1.120 176.498 177.584 0.057 0.000 1.059 226 A CA -0.900 51.203 52.037 0.111 0.000 0.691 226 A CB 0.244 19.309 19.000 0.108 0.000 1.282 226 A HN 0.079 nan 8.150 nan 0.000 0.401 227 c N 1.113 119.732 118.600 0.031 0.000 2.605 227 c HA 0.351 4.920 4.570 -0.003 0.000 0.404 227 c C 2.094 176.138 174.090 -0.076 0.000 1.284 227 c CA -0.185 56.141 56.329 -0.005 0.000 2.199 227 c CB 0.438 42.954 42.510 0.010 0.000 2.647 227 c HN 1.097 nan 8.230 nan 0.000 0.604 228 R N -0.264 120.143 120.500 -0.154 0.000 2.153 228 R HA -0.001 4.337 4.340 -0.003 0.000 0.218 228 R C 1.239 177.182 176.300 -0.594 0.000 1.072 228 R CA 1.247 57.123 56.100 -0.373 0.000 0.990 228 R CB 0.036 30.039 30.300 -0.495 0.000 0.889 228 R HN 0.803 nan 8.270 nan 0.000 0.452 229 H N -2.693 116.226 119.070 -0.251 0.000 3.768 229 H HA 0.228 4.782 4.556 -0.003 0.000 0.124 229 H C -0.381 174.422 175.328 -0.875 0.000 1.168 229 H CA 0.258 55.918 56.048 -0.647 0.000 0.988 229 H CB 0.276 29.703 29.762 -0.559 0.000 1.149 229 H HN -0.139 nan 8.280 nan 0.000 0.251 230 F N 0.565 120.626 119.950 0.185 0.000 2.593 230 F HA 0.377 4.902 4.527 -0.003 0.000 0.320 230 F C 0.129 175.973 175.800 0.073 0.000 1.060 230 F CA -1.074 56.989 58.000 0.105 0.000 0.940 230 F CB 1.368 40.423 39.000 0.091 0.000 1.268 230 F HN 0.001 nan 8.300 nan 0.000 0.475 231 N N 1.337 120.178 118.700 0.234 0.000 2.518 231 N HA 0.145 4.883 4.740 -0.003 0.000 0.254 231 N C -1.855 173.723 175.510 0.113 0.000 0.979 231 N CA -0.425 52.705 53.050 0.133 0.000 0.930 231 N CB 0.767 39.306 38.487 0.088 0.000 1.152 231 N HN 0.577 nan 8.380 nan 0.000 0.505 232 D N 2.011 122.466 120.400 0.092 0.000 2.428 232 D HA 0.220 4.858 4.640 -0.003 0.000 0.221 232 D C 0.069 176.391 176.300 0.036 0.000 1.123 232 D CA 0.197 54.232 54.000 0.058 0.000 0.869 232 D CB 0.188 41.017 40.800 0.047 0.000 1.032 232 D HN 0.466 nan 8.370 nan 0.000 0.506 233 S N 2.459 118.177 115.700 0.030 0.000 3.319 233 S HA -0.232 4.236 4.470 -0.003 0.000 0.319 233 S C 1.153 175.761 174.600 0.014 0.000 1.236 233 S CA 1.903 60.113 58.200 0.017 0.000 0.964 233 S CB -1.181 62.025 63.200 0.010 0.000 1.040 233 S HN 1.060 nan 8.310 nan 0.000 0.620 234 G N -0.949 107.862 108.800 0.019 0.000 3.465 234 G HA2 0.256 4.214 3.960 -0.003 0.000 0.196 234 G HA3 0.256 4.214 3.960 -0.003 0.000 0.196 234 G C 0.068 174.972 174.900 0.008 0.000 1.170 234 G CA 0.329 45.436 45.100 0.012 0.000 0.887 234 G HN 1.678 nan 8.290 nan 0.000 0.444 235 A N 0.321 123.144 122.820 0.005 0.000 2.409 235 A HA 0.534 4.852 4.320 -0.003 0.000 0.262 235 A C 0.562 178.156 177.584 0.015 0.000 1.113 235 A CA 0.386 52.417 52.037 -0.010 0.000 0.790 235 A CB 0.197 19.186 19.000 -0.018 0.000 1.046 235 A HN 1.017 nan 8.150 nan 0.000 0.496 236 c N 3.774 122.371 118.600 -0.005 0.000 2.416 236 c HA 0.468 5.037 4.570 -0.003 0.000 0.355 236 c C 0.655 174.784 174.090 0.064 0.000 1.211 236 c CA -0.232 56.118 56.329 0.035 0.000 1.699 236 c CB -1.796 40.729 42.510 0.025 0.000 2.310 236 c HN 0.703 nan 8.230 nan 0.000 0.539 237 V N 3.208 123.202 119.914 0.134 0.000 2.823 237 V HA 0.595 4.714 4.120 -0.003 0.000 0.312 237 V C -2.365 173.894 176.094 0.275 0.000 1.072 237 V CA -1.968 60.435 62.300 0.171 0.000 0.937 237 V CB 1.833 33.738 31.823 0.136 0.000 1.013 237 V HN 0.422 nan 8.190 nan 0.000 0.430 238 P HA 0.173 nan 4.420 nan 0.000 0.227 238 P C -0.046 177.461 177.300 0.345 0.000 1.161 238 P CA 0.657 63.871 63.100 0.190 0.000 0.788 238 P CB 0.211 31.963 31.700 0.087 0.000 0.822 239 R N -2.414 118.280 120.500 0.324 0.000 2.739 239 R HA 0.461 4.800 4.340 -0.003 0.000 0.271 239 R C -0.859 175.442 176.300 0.002 0.000 1.010 239 R CA -0.653 55.535 56.100 0.147 0.000 0.897 239 R CB 0.486 30.801 30.300 0.025 0.000 1.236 239 R HN -0.159 nan 8.270 nan 0.000 0.466 240 c N 2.006 120.458 118.600 -0.246 0.000 2.649 240 c HA 0.298 4.866 4.570 -0.003 0.000 0.377 240 c C -1.933 172.100 174.090 -0.096 0.000 1.321 240 c CA -0.862 55.376 56.329 -0.152 0.000 2.368 240 c CB -0.250 42.128 42.510 -0.220 0.000 2.597 240 c HN 0.538 nan 8.230 nan 0.000 0.678 241 P HA 0.056 nan 4.420 nan 0.000 0.262 241 P C -0.310 176.943 177.300 -0.078 0.000 1.199 241 P CA 0.427 63.494 63.100 -0.055 0.000 0.763 241 P CB 0.225 31.904 31.700 -0.035 0.000 0.790 242 Q N 5.080 124.847 119.800 -0.055 0.000 2.454 242 Q HA 0.048 4.386 4.340 -0.003 0.000 0.247 242 Q C -1.406 174.566 176.000 -0.046 0.000 1.028 242 Q CA -1.250 54.524 55.803 -0.048 0.000 0.910 242 Q CB -0.352 28.369 28.738 -0.027 0.000 1.276 242 Q HN 0.332 nan 8.270 nan 0.000 0.489 243 P HA 0.028 nan 4.420 nan 0.000 0.225 243 P C -0.242 177.053 177.300 -0.009 0.000 1.156 243 P CA 1.016 64.108 63.100 -0.013 0.000 0.787 243 P CB 0.382 32.097 31.700 0.024 0.000 0.802 244 L N -1.105 120.112 121.223 -0.010 0.000 2.371 244 L HA 0.579 4.918 4.340 -0.003 0.000 0.262 244 L C -0.561 176.304 176.870 -0.008 0.000 1.006 244 L CA -1.332 53.501 54.840 -0.013 0.000 0.818 244 L CB 2.589 44.638 42.059 -0.018 0.000 1.354 244 L HN -0.377 nan 8.230 nan 0.000 0.415 245 V N -1.529 118.379 119.914 -0.009 0.000 2.686 245 V HA 0.450 4.569 4.120 -0.003 0.000 0.306 245 V C -0.833 175.277 176.094 0.028 0.000 1.065 245 V CA -0.857 61.450 62.300 0.013 0.000 0.894 245 V CB 1.393 33.216 31.823 -0.000 0.000 1.004 245 V HN 0.639 nan 8.190 nan 0.000 0.424 246 Y N 3.251 123.519 120.300 -0.052 0.000 2.597 246 Y HA 0.301 4.849 4.550 -0.003 0.000 0.336 246 Y C 0.553 176.411 175.900 -0.070 0.000 1.216 246 Y CA 0.907 58.974 58.100 -0.055 0.000 1.463 246 Y CB 0.815 39.245 38.460 -0.050 0.000 1.303 246 Y HN 0.925 nan 8.280 nan 0.000 0.576 247 N N 3.888 122.611 118.700 0.038 0.000 2.399 247 N HA 0.195 4.933 4.740 -0.003 0.000 0.280 247 N C -0.053 175.477 175.510 0.034 0.000 1.008 247 N CA -0.670 52.385 53.050 0.008 0.000 0.894 247 N CB 1.096 39.506 38.487 -0.128 0.000 1.273 247 N HN 0.508 nan 8.380 nan 0.000 0.486 248 K N 2.178 122.581 120.400 0.005 0.000 2.362 248 K HA -0.037 4.281 4.320 -0.003 0.000 0.200 248 K C 0.884 177.131 176.600 -0.588 0.000 1.046 248 K CA 0.620 56.814 56.287 -0.155 0.000 0.952 248 K CB 0.143 32.594 32.500 -0.082 0.000 0.753 248 K HN 0.523 nan 8.250 nan 0.000 0.466 249 L N 0.984 121.938 121.223 -0.449 0.000 2.249 249 L HA -0.036 4.302 4.340 -0.003 0.000 0.207 249 L C 2.175 178.721 176.870 -0.539 0.000 1.090 249 L CA 1.803 56.375 54.840 -0.447 0.000 0.802 249 L CB -0.774 41.171 42.059 -0.190 0.000 0.947 249 L HN 0.284 nan 8.230 nan 0.000 0.453 250 T N -6.193 108.107 114.554 -0.422 0.000 3.001 250 T HA 0.078 4.427 4.350 -0.003 0.000 0.251 250 T C 0.875 175.649 174.700 0.124 0.000 1.040 250 T CA -0.122 61.913 62.100 -0.107 0.000 0.985 250 T CB -0.001 68.862 68.868 -0.008 0.000 1.011 250 T HN 0.110 nan 8.240 nan 0.000 0.509 251 F N 0.515 120.491 119.950 0.043 0.000 2.953 251 F HA -0.186 4.340 4.527 -0.003 0.000 0.292 251 F C 0.499 176.119 175.800 -0.300 0.000 0.747 251 F CA 0.500 58.532 58.000 0.053 0.000 1.222 251 F CB -2.405 36.724 39.000 0.214 0.000 1.457 251 F HN 0.349 nan 8.300 nan 0.000 0.383 252 Q N -0.921 118.631 119.800 -0.413 0.000 3.252 252 Q HA 0.794 5.133 4.340 -0.003 0.000 0.324 252 Q C -0.701 174.923 176.000 -0.627 0.000 0.963 252 Q CA -1.153 54.287 55.803 -0.607 0.000 0.820 252 Q CB 1.536 29.919 28.738 -0.592 0.000 1.497 252 Q HN 0.040 nan 8.270 nan 0.000 0.484 253 L N 0.324 121.315 121.223 -0.386 0.000 2.365 253 L HA 0.516 4.854 4.340 -0.003 0.000 0.267 253 L C -0.537 176.243 176.870 -0.150 0.000 1.033 253 L CA 0.190 54.886 54.840 -0.241 0.000 0.802 253 L CB 1.404 43.375 42.059 -0.147 0.000 1.267 253 L HN 0.603 nan 8.230 nan 0.000 0.457 254 E N -0.171 119.973 120.200 -0.092 0.000 2.437 254 E HA 0.376 4.725 4.350 -0.003 0.000 0.280 254 E C -2.714 173.866 176.600 -0.032 0.000 1.044 254 E CA -1.593 54.771 56.400 -0.059 0.000 0.826 254 E CB 2.394 32.059 29.700 -0.058 0.000 1.358 254 E HN 0.304 nan 8.360 nan 0.000 0.459 255 P HA 0.035 nan 4.420 nan 0.000 0.276 255 P C -1.218 176.081 177.300 -0.001 0.000 1.230 255 P CA -0.003 63.093 63.100 -0.006 0.000 0.776 255 P CB 0.388 32.088 31.700 0.000 0.000 0.888 256 N N 4.487 123.188 118.700 0.001 0.000 2.469 256 N HA 0.159 4.897 4.740 -0.003 0.000 0.253 256 N C -1.540 173.984 175.510 0.024 0.000 0.970 256 N CA -2.072 50.989 53.050 0.017 0.000 0.940 256 N CB 1.550 40.042 38.487 0.008 0.000 1.128 256 N HN 0.162 nan 8.380 nan 0.000 0.503 257 P HA -0.080 nan 4.420 nan 0.000 0.231 257 P C 0.042 177.306 177.300 -0.059 0.000 1.158 257 P CA 1.091 64.192 63.100 0.003 0.000 0.763 257 P CB 0.088 31.797 31.700 0.014 0.000 0.805 258 H N -1.728 117.304 119.070 -0.063 0.000 2.520 258 H HA 0.156 4.711 4.556 -0.003 0.000 0.284 258 H C 0.667 175.929 175.328 -0.110 0.000 1.037 258 H CA 0.049 56.054 56.048 -0.072 0.000 1.168 258 H CB -0.258 29.471 29.762 -0.055 0.000 1.497 258 H HN -0.013 nan 8.280 nan 0.000 0.547 259 T N 0.598 115.113 114.554 -0.064 0.000 2.918 259 T HA 0.297 4.645 4.350 -0.003 0.000 0.302 259 T C -0.055 174.441 174.700 -0.340 0.000 1.045 259 T CA -0.201 61.792 62.100 -0.178 0.000 1.114 259 T CB 0.457 69.209 68.868 -0.193 0.000 0.965 259 T HN 0.270 nan 8.240 nan 0.000 0.540 260 K N 1.892 122.055 120.400 -0.396 0.000 2.508 260 K HA 0.507 4.825 4.320 -0.003 0.000 0.260 260 K C -1.519 174.802 176.600 -0.465 0.000 0.949 260 K CA -0.694 55.320 56.287 -0.456 0.000 0.834 260 K CB 1.848 34.231 32.500 -0.196 0.000 1.365 260 K HN 0.590 nan 8.250 nan 0.000 0.437 261 Y N 0.525 120.804 120.300 -0.035 0.000 2.496 261 Y HA 0.351 4.899 4.550 -0.003 0.000 0.331 261 Y C 0.090 175.964 175.900 -0.043 0.000 1.140 261 Y CA -1.105 56.968 58.100 -0.045 0.000 1.166 261 Y CB 1.289 39.734 38.460 -0.025 0.000 1.249 261 Y HN 0.288 nan 8.280 nan 0.000 0.479 262 Q N 1.134 120.996 119.800 0.102 0.000 2.261 262 Q HA 0.153 4.491 4.340 -0.003 0.000 0.252 262 Q C -1.407 174.723 176.000 0.216 0.000 0.915 262 Q CA -0.455 55.390 55.803 0.069 0.000 0.915 262 Q CB 1.092 29.805 28.738 -0.042 0.000 1.204 262 Q HN 0.584 nan 8.270 nan 0.000 0.421 263 Y N 1.895 122.237 120.300 0.069 0.000 2.562 263 Y HA 0.323 4.871 4.550 -0.003 0.000 0.363 263 Y C 0.832 176.794 175.900 0.103 0.000 0.991 263 Y CA -0.367 57.764 58.100 0.052 0.000 1.121 263 Y CB -0.020 38.416 38.460 -0.040 0.000 1.159 263 Y HN 0.906 nan 8.280 nan 0.000 0.651 264 G N 1.719 110.697 108.800 0.297 0.000 4.861 264 G HA2 -0.448 3.511 3.960 -0.003 0.000 0.226 264 G HA3 -0.448 3.511 3.960 -0.003 0.000 0.226 264 G C 1.277 176.347 174.900 0.283 0.000 1.350 264 G CA 0.562 45.804 45.100 0.236 0.000 1.018 264 G HN 1.002 nan 8.290 nan 0.000 0.712 265 G N -0.662 108.230 108.800 0.152 0.000 2.720 265 G HA2 0.444 4.403 3.960 -0.003 0.000 0.204 265 G HA3 0.444 4.403 3.960 -0.003 0.000 0.204 265 G C 0.368 175.397 174.900 0.215 0.000 1.113 265 G CA 1.124 46.321 45.100 0.162 0.000 0.805 265 G HN 1.282 nan 8.290 nan 0.000 0.536 266 V N 1.811 121.814 119.914 0.149 0.000 2.347 266 V HA 0.254 4.373 4.120 -0.003 0.000 0.280 266 V C -0.056 176.124 176.094 0.143 0.000 1.021 266 V CA -1.263 61.112 62.300 0.126 0.000 0.847 266 V CB 0.919 32.784 31.823 0.069 0.000 0.990 266 V HN 0.223 nan 8.190 nan 0.000 0.444 267 c N 6.442 125.110 118.600 0.115 0.000 2.663 267 c HA 0.379 4.947 4.570 -0.003 0.000 0.398 267 c C 0.708 174.828 174.090 0.051 0.000 1.356 267 c CA -0.557 55.807 56.329 0.059 0.000 1.629 267 c CB -1.343 41.185 42.510 0.030 0.000 2.402 267 c HN 0.761 nan 8.230 nan 0.000 0.598 268 V N 1.996 121.950 119.914 0.068 0.000 2.815 268 V HA 0.852 4.971 4.120 -0.003 0.000 0.314 268 V C 0.567 176.691 176.094 0.049 0.000 1.064 268 V CA -0.251 62.090 62.300 0.069 0.000 0.952 268 V CB 1.352 33.235 31.823 0.101 0.000 1.020 268 V HN 0.768 nan 8.190 nan 0.000 0.439 269 A N 2.632 125.471 122.820 0.033 0.000 1.930 269 A HA 0.322 4.641 4.320 -0.003 0.000 0.215 269 A C 1.229 178.885 177.584 0.121 0.000 1.176 269 A CA 1.268 53.310 52.037 0.009 0.000 0.632 269 A CB -0.496 18.499 19.000 -0.008 0.000 0.819 269 A HN 1.533 nan 8.150 nan 0.000 0.445 270 S N -2.800 112.985 115.700 0.142 0.000 2.595 270 S HA 0.571 5.040 4.470 -0.003 0.000 0.281 270 S C -0.493 174.164 174.600 0.095 0.000 1.117 270 S CA -0.859 57.438 58.200 0.162 0.000 0.873 270 S CB 0.992 64.248 63.200 0.093 0.000 1.108 270 S HN 0.301 nan 8.310 nan 0.000 0.477 271 c N 2.085 120.699 118.600 0.024 0.000 2.500 271 c HA 0.600 5.168 4.570 -0.003 0.000 0.367 271 c C -1.961 172.070 174.090 -0.098 0.000 1.283 271 c CA -0.780 55.499 56.329 -0.084 0.000 2.456 271 c CB -0.349 42.096 42.510 -0.107 0.000 2.457 271 c HN 0.731 nan 8.230 nan 0.000 0.632 272 P HA 0.016 nan 4.420 nan 0.000 0.266 272 P C 0.618 177.862 177.300 -0.094 0.000 1.186 272 P CA 0.411 63.326 63.100 -0.308 0.000 0.767 272 P CB 0.211 31.525 31.700 -0.643 0.000 0.820 273 H N 0.967 120.034 119.070 -0.006 0.000 2.466 273 H HA -0.156 4.399 4.556 -0.003 0.000 0.297 273 H C 1.120 176.479 175.328 0.051 0.000 1.113 273 H CA 1.357 57.415 56.048 0.017 0.000 1.273 273 H CB -0.813 28.955 29.762 0.010 0.000 1.371 273 H HN 0.415 nan 8.280 nan 0.000 0.528 274 N N 0.284 119.032 118.700 0.079 0.000 2.251 274 N HA -0.044 4.694 4.740 -0.003 0.000 0.181 274 N C 0.446 176.034 175.510 0.130 0.000 1.019 274 N CA 0.198 53.326 53.050 0.129 0.000 0.862 274 N CB -0.082 38.519 38.487 0.191 0.000 0.992 274 N HN 0.055 nan 8.380 nan 0.000 0.429 275 F N 0.577 120.432 119.950 -0.158 0.000 2.390 275 F HA 0.239 4.764 4.527 -0.003 0.000 0.307 275 F C 0.789 176.499 175.800 -0.150 0.000 1.227 275 F CA -0.750 57.143 58.000 -0.178 0.000 1.179 275 F CB 0.425 39.254 39.000 -0.286 0.000 1.280 275 F HN -0.317 nan 8.300 nan 0.000 0.548 276 V N -0.368 119.525 119.914 -0.035 0.000 3.078 276 V HA 0.530 4.649 4.120 -0.003 0.000 0.311 276 V C -0.863 175.167 176.094 -0.108 0.000 1.138 276 V CA -1.180 61.071 62.300 -0.082 0.000 1.007 276 V CB 1.536 33.300 31.823 -0.098 0.000 1.045 276 V HN 0.375 nan 8.190 nan 0.000 0.432 277 V N 1.801 121.609 119.914 -0.176 0.000 2.406 277 V HA 0.357 4.476 4.120 -0.003 0.000 0.272 277 V C -0.488 175.529 176.094 -0.129 0.000 1.043 277 V CA 0.223 62.385 62.300 -0.230 0.000 0.915 277 V CB 1.129 32.668 31.823 -0.472 0.000 0.988 277 V HN 1.020 nan 8.190 nan 0.000 0.466 278 D N 5.199 125.554 120.400 -0.075 0.000 2.349 278 D HA 0.368 5.007 4.640 -0.003 0.000 0.232 278 D C 0.889 177.182 176.300 -0.010 0.000 1.071 278 D CA -0.104 53.873 54.000 -0.037 0.000 0.832 278 D CB 0.958 41.745 40.800 -0.022 0.000 1.086 278 D HN 0.722 nan 8.370 nan 0.000 0.504 279 Q N 1.824 121.621 119.800 -0.004 0.000 2.475 279 Q HA -0.439 3.899 4.340 -0.003 0.000 0.429 279 Q C 0.660 176.693 176.000 0.054 0.000 0.915 279 Q CA 2.738 58.553 55.803 0.022 0.000 0.986 279 Q CB -2.031 26.720 28.738 0.022 0.000 1.760 279 Q HN 0.510 nan 8.270 nan 0.000 0.998 280 T N -0.889 113.700 114.554 0.059 0.000 3.015 280 T HA 0.287 4.636 4.350 -0.003 0.000 0.250 280 T C 0.647 175.415 174.700 0.112 0.000 1.057 280 T CA 0.590 62.752 62.100 0.103 0.000 1.066 280 T CB 0.243 69.131 68.868 0.033 0.000 0.959 280 T HN 0.437 nan 8.240 nan 0.000 0.488 281 S N 0.558 116.295 115.700 0.062 0.000 2.652 281 S HA 0.536 5.004 4.470 -0.003 0.000 0.270 281 S C -0.156 174.472 174.600 0.046 0.000 1.243 281 S CA -0.714 57.530 58.200 0.073 0.000 0.999 281 S CB 0.851 64.100 63.200 0.083 0.000 0.973 281 S HN 0.510 nan 8.310 nan 0.000 0.544 282 c N 2.908 121.556 118.600 0.080 0.000 2.330 282 c HA 0.737 5.305 4.570 -0.003 0.000 0.344 282 c C 0.360 174.563 174.090 0.189 0.000 1.273 282 c CA -0.632 55.735 56.329 0.063 0.000 1.879 282 c CB -0.644 41.829 42.510 -0.061 0.000 2.376 282 c HN 0.677 nan 8.230 nan 0.000 0.534 283 V N 2.559 122.551 119.914 0.130 0.000 3.040 283 V HA 0.577 4.696 4.120 -0.003 0.000 0.312 283 V C 0.781 176.589 176.094 -0.477 0.000 1.115 283 V CA -0.938 61.354 62.300 -0.014 0.000 0.998 283 V CB 1.396 33.191 31.823 -0.047 0.000 1.042 283 V HN 0.845 nan 8.190 nan 0.000 0.433 284 R N 1.102 121.129 120.500 -0.789 0.000 2.096 284 R HA 0.212 4.551 4.340 -0.003 0.000 0.240 284 R C 0.698 176.709 176.300 -0.482 0.000 1.139 284 R CA 2.073 57.609 56.100 -0.940 0.000 0.952 284 R CB -0.115 29.855 30.300 -0.549 0.000 0.854 284 R HN 1.096 nan 8.270 nan 0.000 0.436 285 A N -1.277 121.374 122.820 -0.283 0.000 2.601 285 A HA 0.371 4.689 4.320 -0.003 0.000 0.291 285 A C -0.900 176.615 177.584 -0.114 0.000 1.075 285 A CA -0.916 51.016 52.037 -0.174 0.000 0.671 285 A CB 0.818 19.733 19.000 -0.143 0.000 1.277 285 A HN 0.229 nan 8.150 nan 0.000 0.417 286 c N 1.915 120.464 118.600 -0.084 0.000 2.679 286 c HA 0.442 5.011 4.570 -0.003 0.000 0.417 286 c C -1.628 172.435 174.090 -0.045 0.000 1.302 286 c CA -0.032 56.263 56.329 -0.058 0.000 1.973 286 c CB -0.609 41.873 42.510 -0.046 0.000 2.715 286 c HN 0.671 nan 8.230 nan 0.000 0.628 287 P HA 0.179 nan 4.420 nan 0.000 0.271 287 P C -2.149 175.140 177.300 -0.019 0.000 1.233 287 P CA -0.868 62.219 63.100 -0.021 0.000 0.789 287 P CB -0.205 31.488 31.700 -0.011 0.000 0.951 288 P HA -0.086 nan 4.420 nan 0.000 0.261 288 P C 0.067 177.361 177.300 -0.010 0.000 1.288 288 P CA 1.292 64.384 63.100 -0.013 0.000 0.751 288 P CB -0.181 31.513 31.700 -0.011 0.000 1.103 289 D N -1.901 118.493 120.400 -0.010 0.000 2.539 289 D HA 0.115 4.753 4.640 -0.003 0.000 0.232 289 D C 0.085 176.381 176.300 -0.007 0.000 1.256 289 D CA -0.030 53.966 54.000 -0.006 0.000 0.810 289 D CB 0.444 41.242 40.800 -0.003 0.000 1.090 289 D HN -0.070 nan 8.370 nan 0.000 0.519 290 K N 0.079 120.472 120.400 -0.011 0.000 2.443 290 K HA 0.577 4.895 4.320 -0.003 0.000 0.251 290 K C -0.734 175.856 176.600 -0.016 0.000 0.972 290 K CA -0.926 55.354 56.287 -0.013 0.000 0.833 290 K CB 2.389 34.880 32.500 -0.016 0.000 1.317 290 K HN 0.050 nan 8.250 nan 0.000 0.441 291 M N -0.842 118.749 119.600 -0.014 0.000 2.535 291 M HA 0.463 4.941 4.480 -0.003 0.000 0.314 291 M C -0.592 175.695 176.300 -0.021 0.000 1.153 291 M CA -0.588 54.702 55.300 -0.016 0.000 0.924 291 M CB 2.001 34.595 32.600 -0.009 0.000 1.710 291 M HN 0.476 nan 8.290 nan 0.000 0.451 292 E N 2.307 122.492 120.200 -0.026 0.000 1.985 292 E HA 0.280 4.628 4.350 -0.003 0.000 0.268 292 E C -1.370 175.217 176.600 -0.021 0.000 1.219 292 E CA -0.353 56.029 56.400 -0.030 0.000 0.942 292 E CB 0.484 30.163 29.700 -0.035 0.000 1.045 292 E HN 0.590 nan 8.360 nan 0.000 0.413 293 V N 4.709 124.611 119.914 -0.020 0.000 2.364 293 V HA 0.115 4.233 4.120 -0.003 0.000 0.272 293 V C -0.146 175.940 176.094 -0.014 0.000 1.036 293 V CA -0.628 61.664 62.300 -0.013 0.000 0.880 293 V CB 1.378 33.197 31.823 -0.007 0.000 0.991 293 V HN 0.635 nan 8.190 nan 0.000 0.460 294 D N 4.606 125.000 120.400 -0.010 0.000 2.339 294 D HA 0.495 5.133 4.640 -0.003 0.000 0.241 294 D C -0.023 176.275 176.300 -0.003 0.000 1.183 294 D CA -0.150 53.845 54.000 -0.009 0.000 0.859 294 D CB 0.535 41.331 40.800 -0.007 0.000 1.067 294 D HN 0.727 nan 8.370 nan 0.000 0.484 295 K N 1.039 121.437 120.400 -0.002 0.000 2.502 295 K HA 0.413 4.731 4.320 -0.003 0.000 0.257 295 K C -0.167 176.437 176.600 0.006 0.000 0.938 295 K CA -1.025 55.264 56.287 0.003 0.000 0.819 295 K CB 1.064 33.567 32.500 0.004 0.000 1.333 295 K HN 0.040 nan 8.250 nan 0.000 0.434 296 N N 1.224 119.928 118.700 0.008 0.000 2.730 296 N HA -0.265 4.474 4.740 -0.003 0.000 0.266 296 N C 0.312 175.829 175.510 0.012 0.000 0.949 296 N CA 1.697 54.753 53.050 0.010 0.000 0.829 296 N CB -0.796 37.698 38.487 0.011 0.000 0.916 296 N HN 1.121 nan 8.380 nan 0.000 0.558 297 G N -1.102 107.704 108.800 0.009 0.000 2.147 297 G HA2 -0.243 3.715 3.960 -0.003 0.000 0.244 297 G HA3 -0.243 3.715 3.960 -0.003 0.000 0.244 297 G C -0.260 174.648 174.900 0.014 0.000 1.005 297 G CA 0.442 45.548 45.100 0.010 0.000 0.713 297 G HN 0.510 nan 8.290 nan 0.000 0.515 298 L N -2.025 119.202 121.223 0.008 0.000 2.543 298 L HA 0.758 5.097 4.340 -0.003 0.000 0.265 298 L C -0.548 176.307 176.870 -0.024 0.000 0.945 298 L CA -1.811 53.027 54.840 -0.003 0.000 0.869 298 L CB 1.514 43.584 42.059 0.018 0.000 1.294 298 L HN 0.066 nan 8.230 nan 0.000 0.405 299 K N 2.561 122.935 120.400 -0.044 0.000 2.284 299 K HA 0.760 5.078 4.320 -0.003 0.000 0.287 299 K C -0.568 175.984 176.600 -0.079 0.000 1.081 299 K CA -0.379 55.878 56.287 -0.050 0.000 0.910 299 K CB 1.409 33.883 32.500 -0.044 0.000 1.088 299 K HN 0.735 nan 8.250 nan 0.000 0.478 300 M N 1.750 121.312 119.600 -0.063 0.000 2.796 300 M HA 0.441 4.919 4.480 -0.003 0.000 0.303 300 M C -1.138 175.129 176.300 -0.055 0.000 1.240 300 M CA -0.809 54.447 55.300 -0.073 0.000 0.831 300 M CB 2.046 34.614 32.600 -0.053 0.000 1.750 300 M HN 0.731 nan 8.290 nan 0.000 0.484 301 c N 2.400 120.969 118.600 -0.052 0.000 2.250 301 c HA 0.464 5.032 4.570 -0.003 0.000 0.319 301 c C -0.549 173.527 174.090 -0.024 0.000 1.124 301 c CA -0.867 55.439 56.329 -0.039 0.000 1.527 301 c CB -0.597 41.887 42.510 -0.043 0.000 2.001 301 c HN 0.581 nan 8.230 nan 0.000 0.435 302 E N 4.493 124.683 120.200 -0.017 0.000 2.231 302 E HA 0.340 4.688 4.350 -0.003 0.000 0.277 302 E C -2.297 174.300 176.600 -0.006 0.000 0.999 302 E CA -1.799 54.596 56.400 -0.008 0.000 0.827 302 E CB 1.261 30.958 29.700 -0.005 0.000 1.101 302 E HN 0.413 nan 8.360 nan 0.000 0.393 303 P HA 0.054 nan 4.420 nan 0.000 0.271 303 P C 0.335 177.637 177.300 0.003 0.000 1.216 303 P CA -0.041 63.059 63.100 0.000 0.000 0.771 303 P CB 0.702 32.403 31.700 0.003 0.000 0.864 304 c N 1.867 120.469 118.600 0.003 0.000 2.512 304 c HA 0.281 4.849 4.570 -0.003 0.000 0.276 304 c C 1.948 176.044 174.090 0.010 0.000 1.368 304 c CA 1.136 57.469 56.329 0.007 0.000 1.755 304 c CB -1.393 41.121 42.510 0.007 0.000 2.008 304 c HN 0.844 nan 8.230 nan 0.000 0.511 305 G N 0.631 109.436 108.800 0.008 0.000 3.298 305 G HA2 -0.111 3.847 3.960 -0.003 0.000 0.260 305 G HA3 -0.111 3.847 3.960 -0.003 0.000 0.260 305 G C 0.804 175.709 174.900 0.009 0.000 1.681 305 G CA 0.152 45.258 45.100 0.010 0.000 1.094 305 G HN 0.595 nan 8.290 nan 0.000 0.575 306 G N 0.682 109.488 108.800 0.011 0.000 2.770 306 G HA2 0.375 4.333 3.960 -0.003 0.000 0.212 306 G HA3 0.375 4.333 3.960 -0.003 0.000 0.212 306 G C 0.549 175.454 174.900 0.008 0.000 1.357 306 G CA 1.579 46.685 45.100 0.010 0.000 0.837 306 G HN 1.165 nan 8.290 nan 0.000 0.610 307 L N -1.157 120.073 121.223 0.010 0.000 2.371 307 L HA 0.450 4.788 4.340 -0.003 0.000 0.262 307 L C -0.718 176.159 176.870 0.011 0.000 1.006 307 L CA -0.890 53.955 54.840 0.009 0.000 0.818 307 L CB 2.569 44.634 42.059 0.010 0.000 1.354 307 L HN 0.146 nan 8.230 nan 0.000 0.415 308 c N 2.010 120.614 118.600 0.008 0.000 2.452 308 c HA 0.393 4.961 4.570 -0.003 0.000 0.379 308 c C -1.909 172.188 174.090 0.012 0.000 1.275 308 c CA -1.036 55.298 56.329 0.008 0.000 2.056 308 c CB 0.041 42.551 42.510 0.001 0.000 2.506 308 c HN 0.514 nan 8.230 nan 0.000 0.560 309 P HA -0.013 nan 4.420 nan 0.000 0.261 309 P C -0.404 176.908 177.300 0.020 0.000 1.165 309 P CA 0.653 63.766 63.100 0.022 0.000 0.759 309 P CB 0.266 31.978 31.700 0.020 0.000 0.772 310 K N 2.494 122.912 120.400 0.029 0.000 2.640 310 K HA 0.544 4.862 4.320 -0.003 0.000 0.245 310 K C -1.061 175.565 176.600 0.043 0.000 0.962 310 K CA -0.636 55.667 56.287 0.028 0.000 0.896 310 K CB 1.591 34.105 32.500 0.024 0.000 1.147 310 K HN 0.471 nan 8.250 nan 0.000 0.445 311 A N 2.972 125.814 122.820 0.036 0.000 2.363 311 A HA 0.553 4.871 4.320 -0.003 0.000 0.270 311 A C -0.389 177.224 177.584 0.049 0.000 1.121 311 A CA -0.331 51.734 52.037 0.048 0.000 0.800 311 A CB -0.001 19.020 19.000 0.034 0.000 1.052 311 A HN 0.833 nan 8.150 nan 0.000 0.493 312 c N 0.927 119.574 118.600 0.080 0.000 3.086 312 c HA 0.539 5.107 4.570 -0.003 0.000 0.311 312 c C -0.095 174.057 174.090 0.104 0.000 1.260 312 c CA -1.025 55.345 56.329 0.068 0.000 1.426 312 c CB 0.992 43.540 42.510 0.064 0.000 1.826 312 c HN 0.905 nan 8.230 nan 0.000 0.474 313 E N 0.835 121.069 120.200 0.057 0.000 2.376 313 E HA 0.393 4.741 4.350 -0.003 0.000 0.266 313 E C 0.681 177.387 176.600 0.177 0.000 1.009 313 E CA 0.234 56.684 56.400 0.084 0.000 0.902 313 E CB 1.109 30.844 29.700 0.059 0.000 0.972 313 E HN 0.853 nan 8.360 nan 0.000 0.439 314 G N 2.375 111.268 108.800 0.155 0.000 2.588 314 G HA2 0.130 4.088 3.960 -0.003 0.000 0.278 314 G HA3 0.130 4.088 3.960 -0.003 0.000 0.278 314 G C -0.006 174.993 174.900 0.165 0.000 1.307 314 G CA -0.306 44.891 45.100 0.161 0.000 1.016 314 G HN 0.402 nan 8.290 nan 0.000 0.503 315 T N -1.111 113.499 114.554 0.094 0.000 2.912 315 T HA 0.638 4.986 4.350 -0.003 0.000 0.280 315 T C 0.665 175.392 174.700 0.045 0.000 0.989 315 T CA 1.119 63.289 62.100 0.116 0.000 0.995 315 T CB 0.865 69.750 68.868 0.028 0.000 1.077 315 T HN 1.897 nan 8.240 nan 0.000 0.531 316 G N 1.264 110.128 108.800 0.107 0.000 2.698 316 G HA2 -0.174 3.785 3.960 -0.003 0.000 0.225 316 G HA3 -0.174 3.785 3.960 -0.003 0.000 0.225 316 G C 0.080 175.047 174.900 0.111 0.000 1.345 316 G CA -0.220 44.960 45.100 0.134 0.000 0.871 316 G HN 1.765 nan 8.290 nan 0.000 0.540 317 S N -0.553 115.234 115.700 0.145 0.000 3.357 317 S HA 0.358 4.826 4.470 -0.003 0.000 0.355 317 S C 1.783 176.420 174.600 0.062 0.000 0.712 317 S CA 1.422 59.684 58.200 0.104 0.000 2.083 317 S CB -0.793 62.491 63.200 0.140 0.000 1.143 317 S HN 2.900 nan 8.310 nan 0.000 0.628 318 G N 0.326 109.147 108.800 0.036 0.000 2.183 318 G HA2 -0.013 3.946 3.960 -0.003 0.000 0.168 318 G HA3 -0.013 3.946 3.960 -0.003 0.000 0.168 318 G C -0.013 174.891 174.900 0.006 0.000 1.008 318 G CA 0.120 45.231 45.100 0.017 0.000 0.677 318 G HN 1.899 nan 8.290 nan 0.000 0.498 319 S N -1.138 114.565 115.700 0.004 0.000 2.709 319 S HA 0.738 5.207 4.470 -0.003 0.000 0.302 319 S C 1.037 175.552 174.600 -0.141 0.000 1.127 319 S CA -0.251 57.938 58.200 -0.018 0.000 0.905 319 S CB 1.648 64.906 63.200 0.097 0.000 1.151 319 S HN 0.219 nan 8.310 nan 0.000 0.510 320 R N -0.429 119.837 120.500 -0.390 0.000 2.299 320 R HA 0.267 4.605 4.340 -0.003 0.000 0.197 320 R C -0.781 175.095 176.300 -0.706 0.000 0.971 320 R CA 0.596 56.306 56.100 -0.650 0.000 1.030 320 R CB -0.256 29.483 30.300 -0.934 0.000 0.932 320 R HN 0.539 nan 8.270 nan 0.000 0.477 321 F N 0.020 119.984 119.950 0.023 0.000 2.493 321 F HA 0.300 4.825 4.527 -0.003 0.000 0.329 321 F C 0.778 176.600 175.800 0.037 0.000 1.126 321 F CA -1.111 56.910 58.000 0.034 0.000 0.937 321 F CB 1.743 40.769 39.000 0.045 0.000 1.146 321 F HN -0.308 nan 8.300 nan 0.000 0.442 322 Q N 0.625 120.541 119.800 0.194 0.000 2.360 322 Q HA 0.136 4.475 4.340 -0.003 0.000 0.202 322 Q C 0.339 176.411 176.000 0.120 0.000 0.915 322 Q CA 0.274 56.164 55.803 0.145 0.000 0.943 322 Q CB 0.681 29.490 28.738 0.119 0.000 1.064 322 Q HN 0.681 nan 8.270 nan 0.000 0.511 323 T N -0.711 113.922 114.554 0.133 0.000 2.982 323 T HA 0.360 4.709 4.350 -0.003 0.000 0.321 323 T C -1.214 173.497 174.700 0.019 0.000 1.229 323 T CA -0.669 61.456 62.100 0.042 0.000 1.044 323 T CB 1.644 70.554 68.868 0.070 0.000 1.184 323 T HN -0.044 nan 8.240 nan 0.000 0.477 324 V N 4.039 123.873 119.914 -0.134 0.000 2.655 324 V HA 0.613 4.732 4.120 -0.003 0.000 0.300 324 V C -0.499 175.617 176.094 0.038 0.000 1.044 324 V CA 0.770 63.032 62.300 -0.065 0.000 1.095 324 V CB 0.202 31.939 31.823 -0.144 0.000 0.952 324 V HN 1.106 nan 8.190 nan 0.000 0.485 325 D N 2.628 123.062 120.400 0.057 0.000 2.768 325 D HA 0.272 4.910 4.640 -0.003 0.000 0.327 325 D C 0.557 176.892 176.300 0.058 0.000 1.302 325 D CA 0.040 54.088 54.000 0.079 0.000 0.897 325 D CB 1.033 41.888 40.800 0.091 0.000 1.420 325 D HN 0.273 nan 8.370 nan 0.000 0.494 326 S N -1.301 114.434 115.700 0.058 0.000 2.440 326 S HA -0.134 4.335 4.470 -0.003 0.000 0.238 326 S C 1.495 176.107 174.600 0.020 0.000 1.010 326 S CA 1.715 59.939 58.200 0.040 0.000 0.972 326 S CB -0.579 62.645 63.200 0.040 0.000 0.774 326 S HN 0.533 nan 8.310 nan 0.000 0.501 327 S N -0.530 115.181 115.700 0.017 0.000 2.556 327 S HA 0.287 4.755 4.470 -0.003 0.000 0.216 327 S C 1.127 175.684 174.600 -0.072 0.000 0.970 327 S CA -0.203 58.001 58.200 0.008 0.000 0.912 327 S CB 0.070 63.310 63.200 0.066 0.000 0.790 327 S HN 0.335 nan 8.310 nan 0.000 0.504 328 N N 1.014 119.637 118.700 -0.128 0.000 2.474 328 N HA 0.326 5.064 4.740 -0.003 0.000 0.224 328 N C 1.198 176.618 175.510 -0.149 0.000 1.092 328 N CA 0.400 53.270 53.050 -0.301 0.000 0.844 328 N CB -0.097 38.189 38.487 -0.334 0.000 1.381 328 N HN 0.394 nan 8.380 nan 0.000 0.458 329 I N 1.534 122.111 120.570 0.011 0.000 2.493 329 I HA -0.160 4.009 4.170 -0.003 0.000 0.254 329 I C 0.990 177.132 176.117 0.042 0.000 1.160 329 I CA 1.425 62.812 61.300 0.146 0.000 1.445 329 I CB 0.008 38.074 38.000 0.111 0.000 1.086 329 I HN 0.028 nan 8.210 nan 0.000 0.433 330 D N 0.810 121.183 120.400 -0.045 0.000 2.149 330 D HA -0.158 4.480 4.640 -0.003 0.000 0.198 330 D C 2.052 178.275 176.300 -0.128 0.000 0.990 330 D CA 1.495 55.450 54.000 -0.075 0.000 0.839 330 D CB -0.530 40.230 40.800 -0.067 0.000 0.948 330 D HN 0.559 nan 8.370 nan 0.000 0.460 331 G N -0.507 108.151 108.800 -0.238 0.000 2.653 331 G HA2 -0.172 3.786 3.960 -0.003 0.000 0.212 331 G HA3 -0.172 3.786 3.960 -0.003 0.000 0.212 331 G C 0.977 175.576 174.900 -0.502 0.000 1.138 331 G CA 0.057 44.929 45.100 -0.380 0.000 0.782 331 G HN 0.242 nan 8.290 nan 0.000 0.535 332 F N -0.087 119.796 119.950 -0.113 0.000 2.704 332 F HA 0.237 4.762 4.527 -0.003 0.000 0.304 332 F C 1.037 176.748 175.800 -0.149 0.000 1.094 332 F CA -0.681 57.246 58.000 -0.120 0.000 1.275 332 F CB 0.476 39.358 39.000 -0.197 0.000 1.073 332 F HN -0.200 nan 8.300 nan 0.000 0.586 333 V N 1.898 121.803 119.914 -0.016 0.000 2.752 333 V HA -0.149 3.970 4.120 -0.003 0.000 0.306 333 V C 0.682 176.767 176.094 -0.015 0.000 1.099 333 V CA 0.154 62.428 62.300 -0.043 0.000 1.240 333 V CB -0.427 31.365 31.823 -0.052 0.000 0.887 333 V HN 0.597 nan 8.190 nan 0.000 0.499 334 N N -0.065 118.625 118.700 -0.017 0.000 2.753 334 N HA -0.192 4.546 4.740 -0.003 0.000 0.251 334 N C -0.081 175.446 175.510 0.027 0.000 1.097 334 N CA 1.219 54.269 53.050 0.000 0.000 0.786 334 N CB -1.570 36.913 38.487 -0.006 0.000 1.137 334 N HN 0.883 nan 8.380 nan 0.000 0.566 335 c N 0.323 118.957 118.600 0.057 0.000 2.527 335 c HA 0.535 5.104 4.570 -0.003 0.000 0.396 335 c C 2.176 176.332 174.090 0.111 0.000 1.289 335 c CA 0.569 56.962 56.329 0.106 0.000 2.047 335 c CB 0.096 42.731 42.510 0.209 0.000 2.568 335 c HN 0.597 nan 8.230 nan 0.000 0.573 336 T N 1.089 115.701 114.554 0.098 0.000 2.999 336 T HA 0.204 4.552 4.350 -0.003 0.000 0.247 336 T C 0.240 174.997 174.700 0.096 0.000 1.012 336 T CA 0.086 62.239 62.100 0.089 0.000 1.048 336 T CB 0.033 68.936 68.868 0.059 0.000 1.020 336 T HN 0.670 nan 8.240 nan 0.000 0.478 337 K N 0.694 121.151 120.400 0.095 0.000 2.426 337 K HA 0.634 4.952 4.320 -0.003 0.000 0.254 337 K C -1.713 174.952 176.600 0.109 0.000 0.936 337 K CA -0.958 55.379 56.287 0.085 0.000 0.801 337 K CB 1.464 33.998 32.500 0.057 0.000 1.139 337 K HN 0.146 nan 8.250 nan 0.000 0.424 338 I N 5.378 126.012 120.570 0.107 0.000 2.304 338 I HA 0.180 4.348 4.170 -0.003 0.000 0.291 338 I C -0.331 175.823 176.117 0.062 0.000 1.018 338 I CA -0.434 60.938 61.300 0.121 0.000 1.260 338 I CB 0.979 39.047 38.000 0.113 0.000 1.390 338 I HN 0.471 nan 8.210 nan 0.000 0.475 339 L N 7.810 129.073 121.223 0.066 0.000 2.312 339 L HA 0.504 4.843 4.340 -0.003 0.000 0.287 339 L C 0.860 177.741 176.870 0.018 0.000 1.091 339 L CA 0.106 54.966 54.840 0.034 0.000 0.846 339 L CB -0.280 41.800 42.059 0.035 0.000 1.219 339 L HN 0.974 nan 8.230 nan 0.000 0.439 340 G N 4.036 112.823 108.800 -0.022 0.000 2.408 340 G HA2 -0.187 3.771 3.960 -0.003 0.000 0.204 340 G HA3 -0.187 3.771 3.960 -0.003 0.000 0.204 340 G C -0.992 173.798 174.900 -0.182 0.000 1.186 340 G CA -0.532 44.522 45.100 -0.077 0.000 1.139 340 G HN 0.634 nan 8.290 nan 0.000 0.563 341 N N -0.754 117.763 118.700 -0.305 0.000 2.453 341 N HA 0.787 5.525 4.740 -0.003 0.000 0.290 341 N C -0.814 174.455 175.510 -0.401 0.000 1.250 341 N CA -0.907 51.794 53.050 -0.583 0.000 0.815 341 N CB 2.149 39.801 38.487 -1.391 0.000 1.381 341 N HN 0.531 nan 8.380 nan 0.000 0.510 342 L N 0.576 121.536 121.223 -0.437 0.000 2.362 342 L HA 0.499 4.837 4.340 -0.003 0.000 0.275 342 L C -1.291 175.338 176.870 -0.401 0.000 0.998 342 L CA -0.671 53.913 54.840 -0.427 0.000 0.820 342 L CB 1.766 43.583 42.059 -0.403 0.000 1.270 342 L HN 0.587 nan 8.230 nan 0.000 0.415 343 D N 2.625 122.713 120.400 -0.521 0.000 2.757 343 D HA 0.456 5.094 4.640 -0.003 0.000 0.249 343 D C -1.186 174.821 176.300 -0.488 0.000 1.168 343 D CA -0.038 53.770 54.000 -0.320 0.000 0.870 343 D CB 1.729 42.450 40.800 -0.133 0.000 1.411 343 D HN 0.138 nan 8.370 nan 0.000 0.525 344 F N 2.386 122.313 119.950 -0.038 0.000 2.451 344 F HA 0.359 4.884 4.527 -0.003 0.000 0.367 344 F C -0.213 175.627 175.800 0.067 0.000 1.100 344 F CA -0.742 57.295 58.000 0.062 0.000 1.171 344 F CB 0.478 39.576 39.000 0.164 0.000 1.405 344 F HN 0.052 nan 8.300 nan 0.000 0.482 345 L N 2.649 123.972 121.223 0.167 0.000 2.416 345 L HA 0.419 4.757 4.340 -0.003 0.000 0.262 345 L C 1.617 178.585 176.870 0.164 0.000 1.093 345 L CA -0.803 54.122 54.840 0.141 0.000 0.801 345 L CB 1.302 43.425 42.059 0.106 0.000 1.191 345 L HN 0.498 nan 8.230 nan 0.000 0.459 346 I N 0.027 120.683 120.570 0.143 0.000 2.208 346 I HA -0.287 3.882 4.170 -0.003 0.000 0.245 346 I C 2.416 178.615 176.117 0.137 0.000 1.097 346 I CA 2.017 63.400 61.300 0.139 0.000 1.363 346 I CB -0.521 37.552 38.000 0.122 0.000 1.051 346 I HN 0.906 nan 8.210 nan 0.000 0.413 347 T N -1.396 113.244 114.554 0.143 0.000 2.951 347 T HA -0.006 4.342 4.350 -0.003 0.000 0.268 347 T C 1.999 176.782 174.700 0.139 0.000 1.073 347 T CA 0.838 63.029 62.100 0.152 0.000 1.134 347 T CB -0.926 68.051 68.868 0.182 0.000 0.884 347 T HN 0.445 nan 8.240 nan 0.000 0.479 348 G N 1.549 110.433 108.800 0.140 0.000 2.440 348 G HA2 -0.053 3.905 3.960 -0.003 0.000 0.218 348 G HA3 -0.053 3.905 3.960 -0.003 0.000 0.218 348 G C 1.485 176.465 174.900 0.134 0.000 1.154 348 G CA 0.635 45.817 45.100 0.136 0.000 0.767 348 G HN 0.488 nan 8.290 nan 0.000 0.552 349 L N 0.034 121.341 121.223 0.139 0.000 2.102 349 L HA 0.066 4.404 4.340 -0.003 0.000 0.202 349 L C 2.189 179.101 176.870 0.069 0.000 1.076 349 L CA 0.794 55.696 54.840 0.104 0.000 0.761 349 L CB -0.287 41.836 42.059 0.107 0.000 0.921 349 L HN 0.219 nan 8.230 nan 0.000 0.444 350 N N -0.052 118.694 118.700 0.076 0.000 2.336 350 N HA 0.075 4.814 4.740 -0.003 0.000 0.189 350 N C 0.803 176.338 175.510 0.042 0.000 1.113 350 N CA 0.770 53.852 53.050 0.052 0.000 0.858 350 N CB 0.857 39.379 38.487 0.059 0.000 0.970 350 N HN 0.371 nan 8.380 nan 0.000 0.471 351 G N 2.091 110.929 108.800 0.063 0.000 2.796 351 G HA2 -0.207 3.751 3.960 -0.003 0.000 0.571 351 G HA3 -0.207 3.751 3.960 -0.003 0.000 0.571 351 G C -1.251 173.695 174.900 0.076 0.000 1.370 351 G CA -0.289 44.845 45.100 0.057 0.000 0.856 351 G HN 0.351 nan 8.290 nan 0.000 0.538 352 D N 0.301 120.747 120.400 0.076 0.000 2.479 352 D HA 0.452 5.090 4.640 -0.003 0.000 0.246 352 D C -1.960 174.313 176.300 -0.045 0.000 1.336 352 D CA -1.539 52.521 54.000 0.099 0.000 0.967 352 D CB 2.080 43.061 40.800 0.301 0.000 1.275 352 D HN 0.097 nan 8.370 nan 0.000 0.577 353 P HA -0.095 nan 4.420 nan 0.000 0.217 353 P C 1.241 178.286 177.300 -0.425 0.000 1.148 353 P CA 1.025 63.832 63.100 -0.488 0.000 0.828 353 P CB 0.028 31.218 31.700 -0.850 0.000 0.783 354 W N -1.250 119.943 121.300 -0.177 0.000 2.381 354 W HA -0.074 4.584 4.660 -0.003 0.000 0.301 354 W C 1.850 178.159 176.519 -0.350 0.000 1.205 354 W CA 1.067 58.213 57.345 -0.332 0.000 1.285 354 W CB -1.307 27.828 29.460 -0.541 0.000 1.133 354 W HN 0.229 nan 8.180 nan 0.000 0.521 355 H N -0.525 118.696 119.070 0.251 0.000 2.586 355 H HA 0.145 4.699 4.556 -0.003 0.000 0.273 355 H C 0.924 176.310 175.328 0.098 0.000 0.997 355 H CA 0.399 56.541 56.048 0.157 0.000 1.177 355 H CB 0.309 30.165 29.762 0.156 0.000 1.471 355 H HN -0.033 nan 8.280 nan 0.000 0.538 356 K N 0.402 120.874 120.400 0.121 0.000 3.338 356 K HA -0.130 4.189 4.320 -0.003 0.000 0.292 356 K C -0.411 176.231 176.600 0.070 0.000 1.268 356 K CA 0.345 56.667 56.287 0.060 0.000 0.853 356 K CB -2.004 30.528 32.500 0.054 0.000 1.342 356 K HN 0.307 nan 8.250 nan 0.000 0.501 357 I N 1.886 122.515 120.570 0.098 0.000 2.294 357 I HA 0.142 4.310 4.170 -0.003 0.000 0.295 357 I C -1.881 174.271 176.117 0.058 0.000 1.098 357 I CA -2.013 59.340 61.300 0.088 0.000 1.277 357 I CB 0.153 38.227 38.000 0.123 0.000 1.434 357 I HN -0.191 nan 8.210 nan 0.000 0.498 358 P HA -0.034 nan 4.420 nan 0.000 0.270 358 P C -0.077 177.238 177.300 0.025 0.000 1.221 358 P CA -0.167 62.943 63.100 0.016 0.000 0.788 358 P CB 0.526 32.233 31.700 0.011 0.000 0.904 359 A N 2.046 124.874 122.820 0.013 0.000 2.477 359 A HA 0.129 4.448 4.320 -0.003 0.000 0.246 359 A C 0.308 177.906 177.584 0.022 0.000 1.078 359 A CA -0.261 51.788 52.037 0.020 0.000 0.770 359 A CB -0.711 18.294 19.000 0.009 0.000 1.011 359 A HN 0.560 nan 8.150 nan 0.000 0.494 360 L N 1.894 123.137 121.223 0.032 0.000 2.559 360 L HA -0.042 4.297 4.340 -0.003 0.000 0.282 360 L C 0.557 177.429 176.870 0.003 0.000 1.232 360 L CA 0.033 54.889 54.840 0.026 0.000 0.885 360 L CB 0.288 42.372 42.059 0.041 0.000 1.131 360 L HN 0.734 nan 8.230 nan 0.000 0.498 361 D N 6.002 126.402 120.400 -0.000 0.000 2.346 361 D HA 0.086 4.724 4.640 -0.003 0.000 0.260 361 D C -1.526 174.759 176.300 -0.025 0.000 1.252 361 D CA -1.723 52.272 54.000 -0.008 0.000 0.895 361 D CB 1.551 42.346 40.800 -0.008 0.000 1.097 361 D HN 0.231 nan 8.370 nan 0.000 0.489 362 P HA -0.198 nan 4.420 nan 0.000 0.216 362 P C 1.030 178.281 177.300 -0.082 0.000 1.157 362 P CA 1.444 64.484 63.100 -0.101 0.000 0.880 362 P CB 0.059 31.727 31.700 -0.054 0.000 0.791 363 E N 0.179 120.365 120.200 -0.022 0.000 2.338 363 E HA -0.158 4.190 4.350 -0.003 0.000 0.197 363 E C 1.566 178.139 176.600 -0.045 0.000 1.007 363 E CA 0.764 57.147 56.400 -0.028 0.000 0.849 363 E CB -0.667 29.023 29.700 -0.016 0.000 0.774 363 E HN 0.208 nan 8.360 nan 0.000 0.506 364 K N 0.495 120.870 120.400 -0.043 0.000 2.519 364 K HA -0.031 4.287 4.320 -0.003 0.000 0.196 364 K C 1.647 178.210 176.600 -0.061 0.000 1.041 364 K CA 0.435 56.692 56.287 -0.049 0.000 0.954 364 K CB -0.045 32.437 32.500 -0.030 0.000 0.774 364 K HN 0.256 nan 8.250 nan 0.000 0.480 365 L N 0.631 121.827 121.223 -0.045 0.000 2.395 365 L HA -0.103 4.235 4.340 -0.003 0.000 0.218 365 L C 1.537 178.405 176.870 -0.004 0.000 1.130 365 L CA 0.381 55.240 54.840 0.031 0.000 0.826 365 L CB -0.201 41.818 42.059 -0.068 0.000 0.941 365 L HN 0.175 nan 8.230 nan 0.000 0.451 366 N N -0.261 118.401 118.700 -0.063 0.000 2.334 366 N HA -0.185 4.554 4.740 -0.003 0.000 0.187 366 N C 1.886 177.321 175.510 -0.126 0.000 1.016 366 N CA 0.962 53.970 53.050 -0.071 0.000 0.879 366 N CB -0.330 38.122 38.487 -0.057 0.000 0.965 366 N HN 0.137 nan 8.380 nan 0.000 0.438 367 V N 0.582 120.365 119.914 -0.219 0.000 2.511 367 V HA -0.244 3.875 4.120 -0.003 0.000 0.257 367 V C 1.243 177.074 176.094 -0.438 0.000 1.088 367 V CA 1.566 63.657 62.300 -0.348 0.000 1.098 367 V CB -0.560 30.977 31.823 -0.476 0.000 0.674 367 V HN 0.230 nan 8.190 nan 0.000 0.470 368 F N -0.997 118.873 119.950 -0.133 0.000 2.765 368 F HA 0.166 4.691 4.527 -0.003 0.000 0.302 368 F C 2.186 177.853 175.800 -0.222 0.000 1.111 368 F CA 0.090 57.953 58.000 -0.227 0.000 1.359 368 F CB -0.247 38.440 39.000 -0.522 0.000 1.097 368 F HN -0.051 nan 8.300 nan 0.000 0.577 369 R N 0.183 120.657 120.500 -0.043 0.000 2.211 369 R HA -0.141 4.198 4.340 -0.003 0.000 0.240 369 R C 1.954 178.268 176.300 0.023 0.000 1.144 369 R CA 1.828 57.916 56.100 -0.019 0.000 0.992 369 R CB -0.589 29.696 30.300 -0.025 0.000 0.869 369 R HN 0.312 nan 8.270 nan 0.000 0.462 370 T N -2.872 111.698 114.554 0.028 0.000 3.129 370 T HA 0.155 4.504 4.350 -0.003 0.000 0.251 370 T C 0.654 175.406 174.700 0.086 0.000 1.117 370 T CA -0.248 61.879 62.100 0.045 0.000 1.034 370 T CB 0.229 69.112 68.868 0.025 0.000 0.968 370 T HN -0.196 nan 8.240 nan 0.000 0.526 371 V N 2.474 122.469 119.914 0.135 0.000 2.488 371 V HA 0.338 4.456 4.120 -0.003 0.000 0.277 371 V C 1.061 177.245 176.094 0.150 0.000 1.046 371 V CA -0.427 61.981 62.300 0.181 0.000 0.986 371 V CB 0.896 32.902 31.823 0.306 0.000 0.989 371 V HN 0.404 nan 8.190 nan 0.000 0.475 372 R N 2.466 123.030 120.500 0.107 0.000 2.221 372 R HA 0.302 4.640 4.340 -0.003 0.000 0.195 372 R C 0.539 176.870 176.300 0.052 0.000 0.956 372 R CA 0.054 56.199 56.100 0.075 0.000 1.064 372 R CB 0.777 31.110 30.300 0.056 0.000 1.049 372 R HN 0.716 nan 8.270 nan 0.000 0.534 373 E N 0.823 121.055 120.200 0.053 0.000 2.266 373 E HA 0.426 4.774 4.350 -0.003 0.000 0.268 373 E C -1.292 175.318 176.600 0.017 0.000 0.879 373 E CA -0.571 55.843 56.400 0.023 0.000 0.762 373 E CB 1.771 31.485 29.700 0.023 0.000 1.199 373 E HN -0.017 nan 8.360 nan 0.000 0.422 374 I N 3.510 124.063 120.570 -0.029 0.000 2.382 374 I HA 0.128 4.297 4.170 -0.003 0.000 0.285 374 I C 1.164 177.249 176.117 -0.053 0.000 1.007 374 I CA -0.257 61.009 61.300 -0.056 0.000 1.142 374 I CB 1.847 39.769 38.000 -0.129 0.000 1.289 374 I HN 0.630 nan 8.210 nan 0.000 0.453 375 T N 4.274 118.806 114.554 -0.036 0.000 2.684 375 T HA -0.098 4.250 4.350 -0.003 0.000 0.267 375 T C 1.309 175.988 174.700 -0.035 0.000 1.036 375 T CA 2.085 64.169 62.100 -0.026 0.000 1.148 375 T CB 0.015 68.876 68.868 -0.013 0.000 0.863 375 T HN 0.844 nan 8.240 nan 0.000 0.436 376 G N -0.112 108.642 108.800 -0.078 0.000 3.372 376 G HA2 0.457 4.415 3.960 -0.003 0.000 0.178 376 G HA3 0.457 4.415 3.960 -0.003 0.000 0.178 376 G C -0.281 174.595 174.900 -0.040 0.000 1.817 376 G CA -0.017 45.041 45.100 -0.070 0.000 0.996 376 G HN 0.528 nan 8.290 nan 0.000 0.559 377 Y N -1.626 118.650 120.300 -0.039 0.000 2.587 377 Y HA 0.792 5.340 4.550 -0.003 0.000 0.337 377 Y C -1.038 174.773 175.900 -0.150 0.000 1.065 377 Y CA -2.195 55.865 58.100 -0.068 0.000 1.126 377 Y CB 1.545 40.008 38.460 0.005 0.000 1.279 377 Y HN 0.367 nan 8.280 nan 0.000 0.489 378 L N 3.224 124.484 121.223 0.062 0.000 2.333 378 L HA 0.488 4.827 4.340 -0.003 0.000 0.280 378 L C -1.189 175.659 176.870 -0.036 0.000 1.004 378 L CA -0.624 54.144 54.840 -0.120 0.000 0.820 378 L CB 1.245 43.070 42.059 -0.391 0.000 1.247 378 L HN 0.948 nan 8.230 nan 0.000 0.416 379 N N 6.383 125.056 118.700 -0.045 0.000 2.491 379 N HA 0.457 5.196 4.740 -0.003 0.000 0.274 379 N C -1.660 173.783 175.510 -0.111 0.000 1.023 379 N CA -0.484 52.447 53.050 -0.198 0.000 0.902 379 N CB 1.096 39.280 38.487 -0.506 0.000 1.267 379 N HN 0.619 nan 8.380 nan 0.000 0.503 380 I N 3.115 123.584 120.570 -0.170 0.000 2.411 380 I HA 0.178 4.346 4.170 -0.003 0.000 0.284 380 I C 0.383 176.469 176.117 -0.052 0.000 1.012 380 I CA -0.314 60.904 61.300 -0.136 0.000 1.119 380 I CB 1.988 39.624 38.000 -0.608 0.000 1.261 380 I HN 0.590 nan 8.210 nan 0.000 0.448 381 Q N 2.748 122.590 119.800 0.070 0.000 2.164 381 Q HA 0.240 4.579 4.340 -0.003 0.000 0.226 381 Q C 0.113 176.207 176.000 0.156 0.000 0.813 381 Q CA 0.010 55.863 55.803 0.084 0.000 0.978 381 Q CB 1.479 30.249 28.738 0.054 0.000 1.149 381 Q HN 0.603 nan 8.270 nan 0.000 0.489 382 S N -0.176 115.668 115.700 0.241 0.000 2.543 382 S HA 0.512 4.980 4.470 -0.003 0.000 0.271 382 S C -2.405 172.473 174.600 0.464 0.000 1.148 382 S CA -0.587 57.783 58.200 0.282 0.000 0.914 382 S CB 1.133 64.463 63.200 0.218 0.000 1.096 382 S HN 0.363 nan 8.310 nan 0.000 0.471 383 W N 4.103 125.457 121.300 0.090 0.000 3.138 383 W HA 0.405 5.063 4.660 -0.003 0.000 0.331 383 W C -3.046 173.479 176.519 0.011 0.000 1.166 383 W CA -2.345 55.042 57.345 0.070 0.000 1.212 383 W CB 1.937 31.502 29.460 0.175 0.000 1.399 383 W HN 0.499 nan 8.180 nan 0.000 0.514 384 P HA 0.044 nan 4.420 nan 0.000 0.264 384 P C -2.045 175.083 177.300 -0.286 0.000 1.193 384 P CA -0.268 62.597 63.100 -0.391 0.000 0.763 384 P CB 0.512 31.817 31.700 -0.658 0.000 0.810 385 P HA -0.180 nan 4.420 nan 0.000 0.218 385 P C 1.067 178.409 177.300 0.071 0.000 1.148 385 P CA 1.438 64.538 63.100 0.000 0.000 0.822 385 P CB -0.430 31.293 31.700 0.038 0.000 0.784 386 H N -2.660 116.450 119.070 0.067 0.000 2.547 386 H HA 0.238 4.792 4.556 -0.003 0.000 0.266 386 H C 0.219 175.513 175.328 -0.056 0.000 0.988 386 H CA -0.025 56.065 56.048 0.070 0.000 1.147 386 H CB -0.428 29.326 29.762 -0.013 0.000 1.365 386 H HN 0.150 nan 8.280 nan 0.000 0.589 387 M N 2.012 121.566 119.600 -0.076 0.000 2.066 387 M HA 0.180 4.658 4.480 -0.003 0.000 0.340 387 M C -0.327 176.081 176.300 0.180 0.000 1.053 387 M CA -0.336 54.938 55.300 -0.044 0.000 0.983 387 M CB 1.228 33.708 32.600 -0.200 0.000 1.520 387 M HN 0.326 nan 8.290 nan 0.000 0.428 388 H N 1.064 120.145 119.070 0.018 0.000 2.524 388 H HA 0.145 4.700 4.556 -0.003 0.000 0.280 388 H C -0.549 174.686 175.328 -0.154 0.000 1.018 388 H CA -0.529 55.498 56.048 -0.034 0.000 1.165 388 H CB 0.060 29.819 29.762 -0.007 0.000 1.411 388 H HN 0.673 nan 8.280 nan 0.000 0.569 389 N N -0.679 117.958 118.700 -0.105 0.000 3.116 389 N HA 0.086 4.824 4.740 -0.003 0.000 0.244 389 N C -1.174 174.074 175.510 -0.436 0.000 1.485 389 N CA -0.898 51.906 53.050 -0.410 0.000 0.884 389 N CB 0.134 38.491 38.487 -0.218 0.000 1.415 389 N HN -0.074 nan 8.380 nan 0.000 0.524 390 F N 0.260 120.055 119.950 -0.258 0.000 2.873 390 F HA 0.222 4.747 4.527 -0.003 0.000 0.289 390 F C 1.828 177.574 175.800 -0.090 0.000 1.206 390 F CA -0.593 57.249 58.000 -0.263 0.000 1.401 390 F CB -0.153 38.452 39.000 -0.659 0.000 0.996 390 F HN 0.661 nan 8.300 nan 0.000 0.511 391 S N -1.331 114.405 115.700 0.060 0.000 2.465 391 S HA -0.161 4.307 4.470 -0.003 0.000 0.241 391 S C 1.952 176.598 174.600 0.076 0.000 1.000 391 S CA 1.059 59.281 58.200 0.037 0.000 0.964 391 S CB -0.720 62.483 63.200 0.006 0.000 0.763 391 S HN 0.310 nan 8.310 nan 0.000 0.512 392 V N 0.487 120.472 119.914 0.119 0.000 2.469 392 V HA -0.077 4.042 4.120 -0.003 0.000 0.251 392 V C 1.356 177.344 176.094 -0.177 0.000 1.064 392 V CA 1.539 63.825 62.300 -0.023 0.000 1.066 392 V CB -0.841 30.983 31.823 0.002 0.000 0.667 392 V HN 0.663 nan 8.190 nan 0.000 0.461 393 F N 0.073 120.124 119.950 0.169 0.000 2.713 393 F HA 0.125 4.651 4.527 -0.003 0.000 0.294 393 F C 2.048 177.923 175.800 0.125 0.000 1.152 393 F CA 0.359 58.459 58.000 0.167 0.000 1.385 393 F CB -0.504 38.646 39.000 0.250 0.000 0.981 393 F HN 0.134 nan 8.300 nan 0.000 0.514 394 S N -1.009 114.790 115.700 0.165 0.000 2.500 394 S HA -0.169 4.300 4.470 -0.003 0.000 0.239 394 S C 1.517 176.163 174.600 0.078 0.000 0.989 394 S CA 1.075 59.327 58.200 0.087 0.000 0.951 394 S CB -0.238 62.984 63.200 0.036 0.000 0.759 394 S HN 0.443 nan 8.310 nan 0.000 0.523 395 N N 0.667 119.428 118.700 0.102 0.000 2.205 395 N HA 0.237 4.975 4.740 -0.003 0.000 0.201 395 N C 0.031 175.597 175.510 0.093 0.000 1.128 395 N CA -0.121 52.977 53.050 0.080 0.000 0.867 395 N CB 0.151 38.678 38.487 0.067 0.000 0.996 395 N HN 0.398 nan 8.380 nan 0.000 0.503 396 L N 1.125 122.435 121.223 0.146 0.000 2.499 396 L HA 0.046 4.385 4.340 -0.003 0.000 0.273 396 L C 1.066 177.934 176.870 -0.003 0.000 1.195 396 L CA 1.080 55.978 54.840 0.096 0.000 0.882 396 L CB 0.829 42.958 42.059 0.116 0.000 1.133 396 L HN -0.143 nan 8.230 nan 0.000 0.483 397 T N 1.916 116.463 114.554 -0.011 0.000 2.987 397 T HA 0.196 4.544 4.350 -0.003 0.000 0.248 397 T C -0.059 174.623 174.700 -0.030 0.000 0.997 397 T CA 0.647 62.739 62.100 -0.014 0.000 1.013 397 T CB 0.278 69.155 68.868 0.016 0.000 1.077 397 T HN 0.715 nan 8.240 nan 0.000 0.483 398 T N 1.908 116.438 114.554 -0.041 0.000 3.031 398 T HA 0.545 4.893 4.350 -0.003 0.000 0.305 398 T C -1.017 173.645 174.700 -0.063 0.000 0.985 398 T CA -0.393 61.687 62.100 -0.034 0.000 1.008 398 T CB 1.363 70.228 68.868 -0.005 0.000 1.005 398 T HN 0.098 nan 8.240 nan 0.000 0.444 399 I N 2.836 123.359 120.570 -0.077 0.000 2.307 399 I HA 0.340 4.509 4.170 -0.003 0.000 0.289 399 I C 1.549 177.647 176.117 -0.033 0.000 1.021 399 I CA -0.386 60.862 61.300 -0.087 0.000 1.224 399 I CB 1.522 39.439 38.000 -0.138 0.000 1.376 399 I HN 0.857 nan 8.210 nan 0.000 0.470 400 G N 3.811 112.597 108.800 -0.024 0.000 2.404 400 G HA2 -0.016 3.943 3.960 -0.003 0.000 0.215 400 G HA3 -0.016 3.943 3.960 -0.003 0.000 0.215 400 G C 1.286 176.194 174.900 0.013 0.000 1.174 400 G CA 0.706 45.805 45.100 -0.002 0.000 0.780 400 G HN 0.967 nan 8.290 nan 0.000 0.537 401 G N -0.295 108.519 108.800 0.024 0.000 2.160 401 G HA2 -0.305 3.653 3.960 -0.003 0.000 0.251 401 G HA3 -0.305 3.653 3.960 -0.003 0.000 0.251 401 G C 1.139 176.068 174.900 0.050 0.000 1.008 401 G CA 0.878 46.011 45.100 0.055 0.000 0.724 401 G HN 0.572 nan 8.290 nan 0.000 0.514 402 R N 0.389 120.909 120.500 0.033 0.000 2.193 402 R HA 0.163 4.502 4.340 -0.003 0.000 0.229 402 R C 1.357 177.684 176.300 0.045 0.000 1.110 402 R CA 1.445 57.562 56.100 0.028 0.000 0.988 402 R CB 0.012 30.321 30.300 0.015 0.000 0.871 402 R HN 0.660 nan 8.270 nan 0.000 0.458 403 S N -0.811 114.935 115.700 0.076 0.000 2.548 403 S HA 0.566 5.034 4.470 -0.003 0.000 0.286 403 S C -0.479 174.287 174.600 0.277 0.000 1.098 403 S CA -1.141 57.143 58.200 0.140 0.000 0.930 403 S CB 2.055 65.337 63.200 0.136 0.000 1.070 403 S HN -0.035 nan 8.310 nan 0.000 0.480 404 L N 0.944 122.310 121.223 0.238 0.000 2.335 404 L HA 0.548 4.887 4.340 -0.003 0.000 0.268 404 L C 0.391 177.288 176.870 0.045 0.000 1.016 404 L CA -0.882 54.058 54.840 0.167 0.000 0.805 404 L CB 0.820 42.891 42.059 0.019 0.000 1.311 404 L HN 0.911 nan 8.230 nan 0.000 0.456 405 Y N -0.773 119.305 120.300 -0.371 0.000 2.673 405 Y HA 0.161 4.710 4.550 -0.003 0.000 0.278 405 Y C 1.413 177.153 175.900 -0.266 0.000 1.127 405 Y CA 0.603 58.301 58.100 -0.670 0.000 1.261 405 Y CB 0.468 38.105 38.460 -1.373 0.000 1.412 405 Y HN 0.635 nan 8.280 nan 0.000 0.496 406 N N 0.141 118.620 118.700 -0.369 0.000 2.477 406 N HA 0.104 4.842 4.740 -0.003 0.000 0.167 406 N C -0.387 174.999 175.510 -0.206 0.000 1.351 406 N CA -0.144 52.666 53.050 -0.400 0.000 1.087 406 N CB 0.370 38.707 38.487 -0.251 0.000 1.263 406 N HN 0.055 nan 8.380 nan 0.000 0.408 407 R N 0.588 121.012 120.500 -0.126 0.000 4.496 407 R HA 0.344 4.683 4.340 -0.003 0.000 0.211 407 R C 0.320 176.260 176.300 -0.599 0.000 1.738 407 R CA 0.378 56.302 56.100 -0.293 0.000 1.528 407 R CB -0.151 30.021 30.300 -0.213 0.000 1.414 407 R HN 0.645 nan 8.270 nan 0.000 0.812 408 G N 0.780 109.332 108.800 -0.413 0.000 2.212 408 G HA2 -0.293 3.666 3.960 -0.003 0.000 0.255 408 G HA3 -0.293 3.666 3.960 -0.003 0.000 0.255 408 G C -0.387 174.264 174.900 -0.416 0.000 1.062 408 G CA -0.550 44.334 45.100 -0.360 0.000 0.815 408 G HN 0.400 nan 8.290 nan 0.000 0.497 409 F N 0.844 120.748 119.950 -0.077 0.000 2.410 409 F HA 0.471 4.996 4.527 -0.003 0.000 0.349 409 F C 1.646 177.431 175.800 -0.023 0.000 1.117 409 F CA -0.092 57.882 58.000 -0.043 0.000 1.104 409 F CB 1.765 40.748 39.000 -0.029 0.000 1.122 409 F HN 0.117 nan 8.300 nan 0.000 0.483 410 S N 2.104 117.902 115.700 0.162 0.000 2.458 410 S HA 0.136 4.605 4.470 -0.003 0.000 0.223 410 S C -0.019 174.652 174.600 0.117 0.000 1.019 410 S CA 0.053 58.337 58.200 0.140 0.000 0.937 410 S CB 0.176 63.422 63.200 0.076 0.000 0.788 410 S HN 0.424 nan 8.310 nan 0.000 0.511 411 L N 0.949 122.225 121.223 0.089 0.000 2.409 411 L HA 0.729 5.067 4.340 -0.003 0.000 0.272 411 L C -1.449 175.425 176.870 0.005 0.000 0.980 411 L CA -1.005 53.833 54.840 -0.003 0.000 0.826 411 L CB 1.967 43.992 42.059 -0.058 0.000 1.268 411 L HN 0.297 nan 8.230 nan 0.000 0.407 412 L N 6.284 127.467 121.223 -0.066 0.000 2.446 412 L HA 0.660 4.998 4.340 -0.003 0.000 0.268 412 L C -1.645 175.163 176.870 -0.103 0.000 0.975 412 L CA -0.243 54.537 54.840 -0.099 0.000 0.848 412 L CB 1.310 43.250 42.059 -0.199 0.000 1.225 412 L HN 0.486 nan 8.230 nan 0.000 0.410 413 I N 6.144 126.714 120.570 -0.001 0.000 2.411 413 I HA 0.449 4.617 4.170 -0.003 0.000 0.284 413 I C -0.609 175.568 176.117 0.100 0.000 1.012 413 I CA -0.297 60.999 61.300 -0.007 0.000 1.119 413 I CB 1.590 39.620 38.000 0.049 0.000 1.261 413 I HN 0.760 nan 8.210 nan 0.000 0.448 414 M N 6.203 125.854 119.600 0.085 0.000 2.326 414 M HA 0.305 4.784 4.480 -0.003 0.000 0.292 414 M C -0.114 176.254 176.300 0.113 0.000 1.081 414 M CA -0.522 54.865 55.300 0.145 0.000 0.919 414 M CB 1.633 34.291 32.600 0.097 0.000 1.634 414 M HN 0.588 nan 8.290 nan 0.000 0.451 415 K N 2.678 123.147 120.400 0.114 0.000 3.156 415 K HA -0.168 4.151 4.320 -0.003 0.000 0.266 415 K C -1.328 175.335 176.600 0.104 0.000 0.966 415 K CA 0.572 56.916 56.287 0.095 0.000 0.719 415 K CB -1.120 31.432 32.500 0.087 0.000 1.333 415 K HN 0.782 nan 8.250 nan 0.000 0.468 416 N N 1.994 120.763 118.700 0.116 0.000 2.500 416 N HA 0.100 4.839 4.740 -0.003 0.000 0.236 416 N C 0.941 176.507 175.510 0.093 0.000 1.022 416 N CA -0.206 52.929 53.050 0.142 0.000 0.935 416 N CB 0.792 39.407 38.487 0.213 0.000 1.147 416 N HN 0.262 nan 8.380 nan 0.000 0.512 417 L N 1.492 122.763 121.223 0.081 0.000 2.395 417 L HA 0.005 4.343 4.340 -0.003 0.000 0.218 417 L C 0.757 177.640 176.870 0.022 0.000 1.130 417 L CA 0.925 55.794 54.840 0.048 0.000 0.826 417 L CB -0.112 41.974 42.059 0.045 0.000 0.941 417 L HN 0.327 nan 8.230 nan 0.000 0.451 418 N N -1.649 117.068 118.700 0.029 0.000 2.204 418 N HA 0.118 4.856 4.740 -0.003 0.000 0.219 418 N C -0.492 174.989 175.510 -0.048 0.000 1.151 418 N CA -0.063 52.974 53.050 -0.021 0.000 0.867 418 N CB 1.242 39.743 38.487 0.023 0.000 1.043 418 N HN -0.109 nan 8.380 nan 0.000 0.516 419 V N 0.487 120.382 119.914 -0.031 0.000 2.383 419 V HA 0.141 4.259 4.120 -0.003 0.000 0.275 419 V C 0.906 176.954 176.094 -0.076 0.000 1.036 419 V CA 0.226 62.470 62.300 -0.094 0.000 0.889 419 V CB 1.533 33.220 31.823 -0.226 0.000 0.985 419 V HN 0.219 nan 8.190 nan 0.000 0.459 420 T N 2.956 117.486 114.554 -0.041 0.000 3.044 420 T HA 0.100 4.448 4.350 -0.003 0.000 0.255 420 T C 0.449 175.228 174.700 0.132 0.000 1.073 420 T CA 0.891 63.022 62.100 0.052 0.000 1.125 420 T CB 0.172 69.094 68.868 0.090 0.000 0.908 420 T HN 0.780 nan 8.240 nan 0.000 0.480 421 S N -0.362 115.340 115.700 0.004 0.000 2.537 421 S HA 0.528 4.996 4.470 -0.003 0.000 0.270 421 S C 0.582 175.086 174.600 -0.161 0.000 1.142 421 S CA -0.885 57.331 58.200 0.026 0.000 0.870 421 S CB 1.108 64.279 63.200 -0.048 0.000 1.112 421 S HN 0.062 nan 8.310 nan 0.000 0.466 422 L N 1.698 122.910 121.223 -0.018 0.000 1.955 422 L HA 0.133 4.471 4.340 -0.003 0.000 0.213 422 L C 2.167 178.795 176.870 -0.404 0.000 1.072 422 L CA 1.610 56.388 54.840 -0.103 0.000 0.755 422 L CB -1.163 41.096 42.059 0.334 0.000 0.888 422 L HN 1.287 nan 8.230 nan 0.000 0.432 423 G N -1.136 107.568 108.800 -0.160 0.000 2.137 423 G HA2 -0.292 3.667 3.960 -0.003 0.000 0.237 423 G HA3 -0.292 3.667 3.960 -0.003 0.000 0.237 423 G C 0.210 174.927 174.900 -0.305 0.000 1.002 423 G CA -0.202 44.789 45.100 -0.182 0.000 0.702 423 G HN 0.287 nan 8.290 nan 0.000 0.515 424 F N 1.684 121.422 119.950 -0.353 0.000 2.727 424 F HA 0.174 4.699 4.527 -0.003 0.000 0.349 424 F C 2.345 177.513 175.800 -1.054 0.000 1.172 424 F CA 0.082 57.613 58.000 -0.782 0.000 1.355 424 F CB 0.004 38.257 39.000 -1.246 0.000 1.546 424 F HN 0.345 nan 8.300 nan 0.000 0.596 425 R N -1.519 118.800 120.500 -0.302 0.000 2.154 425 R HA -0.185 4.154 4.340 -0.003 0.000 0.248 425 R C 1.333 177.600 176.300 -0.056 0.000 1.155 425 R CA 1.941 57.995 56.100 -0.078 0.000 0.979 425 R CB -0.749 29.571 30.300 0.033 0.000 0.869 425 R HN 0.233 nan 8.270 nan 0.000 0.452 426 S N 0.606 116.253 115.700 -0.089 0.000 2.503 426 S HA 0.107 4.575 4.470 -0.003 0.000 0.217 426 S C 0.437 175.014 174.600 -0.038 0.000 0.999 426 S CA -0.490 57.697 58.200 -0.022 0.000 0.914 426 S CB 0.048 63.254 63.200 0.009 0.000 0.782 426 S HN 0.177 nan 8.310 nan 0.000 0.520 427 L N 3.535 124.658 121.223 -0.167 0.000 2.654 427 L HA 0.046 4.384 4.340 -0.003 0.000 0.271 427 L C 0.870 177.778 176.870 0.063 0.000 1.169 427 L CA 0.755 55.511 54.840 -0.141 0.000 0.947 427 L CB 0.141 41.961 42.059 -0.397 0.000 1.232 427 L HN -0.009 nan 8.230 nan 0.000 0.486 428 K N 3.378 123.818 120.400 0.066 0.000 2.360 428 K HA 0.181 4.500 4.320 -0.003 0.000 0.196 428 K C -0.083 176.575 176.600 0.096 0.000 1.049 428 K CA 0.055 56.406 56.287 0.107 0.000 1.049 428 K CB 1.007 33.555 32.500 0.081 0.000 0.881 428 K HN 0.599 nan 8.250 nan 0.000 0.542 429 E N 1.342 121.582 120.200 0.067 0.000 2.274 429 E HA 0.323 4.671 4.350 -0.003 0.000 0.269 429 E C -1.548 175.081 176.600 0.048 0.000 0.891 429 E CA -0.417 56.021 56.400 0.064 0.000 0.784 429 E CB 1.363 31.090 29.700 0.045 0.000 1.225 429 E HN 0.021 nan 8.360 nan 0.000 0.412 430 I N 4.555 125.172 120.570 0.079 0.000 2.390 430 I HA 0.188 4.357 4.170 -0.003 0.000 0.283 430 I C 0.640 176.791 176.117 0.055 0.000 1.016 430 I CA -0.341 60.994 61.300 0.059 0.000 1.151 430 I CB 1.824 39.878 38.000 0.090 0.000 1.293 430 I HN 0.571 nan 8.210 nan 0.000 0.458 431 S N 4.200 119.921 115.700 0.035 0.000 2.436 431 S HA 0.267 4.735 4.470 -0.003 0.000 0.228 431 S C 0.717 175.334 174.600 0.029 0.000 1.014 431 S CA 0.343 58.562 58.200 0.032 0.000 0.950 431 S CB 0.142 63.356 63.200 0.023 0.000 0.784 431 S HN 0.765 nan 8.310 nan 0.000 0.504 432 A N -0.442 122.394 122.820 0.027 0.000 2.610 432 A HA 0.717 5.035 4.320 -0.003 0.000 0.291 432 A C 0.067 177.660 177.584 0.016 0.000 1.086 432 A CA -0.238 51.809 52.037 0.018 0.000 0.677 432 A CB 0.496 19.504 19.000 0.013 0.000 1.278 432 A HN 1.258 nan 8.150 nan 0.000 0.414 433 G N -0.094 108.703 108.800 -0.005 0.000 2.685 433 G HA2 0.148 4.107 3.960 -0.003 0.000 0.387 433 G HA3 0.148 4.107 3.960 -0.003 0.000 0.387 433 G C -0.616 174.265 174.900 -0.032 0.000 1.324 433 G CA -0.153 44.932 45.100 -0.025 0.000 0.878 433 G HN 1.044 nan 8.290 nan 0.000 0.527 434 R N -1.293 119.175 120.500 -0.053 0.000 2.902 434 R HA 0.791 5.129 4.340 -0.003 0.000 0.258 434 R C -0.402 175.988 176.300 0.150 0.000 1.071 434 R CA -0.914 55.169 56.100 -0.030 0.000 1.024 434 R CB 1.556 31.730 30.300 -0.210 0.000 1.184 434 R HN 0.455 nan 8.270 nan 0.000 0.492 435 I N 0.973 121.620 120.570 0.129 0.000 2.474 435 I HA 0.288 4.456 4.170 -0.003 0.000 0.294 435 I C -1.272 174.911 176.117 0.112 0.000 1.005 435 I CA -0.683 60.639 61.300 0.036 0.000 1.113 435 I CB 1.651 39.424 38.000 -0.379 0.000 1.289 435 I HN 0.496 nan 8.210 nan 0.000 0.436 436 Y N 7.190 127.392 120.300 -0.164 0.000 2.326 436 Y HA 0.667 5.215 4.550 -0.003 0.000 0.329 436 Y C -1.079 174.663 175.900 -0.263 0.000 0.973 436 Y CA -0.619 57.263 58.100 -0.364 0.000 1.162 436 Y CB 1.140 39.011 38.460 -0.981 0.000 1.147 436 Y HN 0.375 nan 8.280 nan 0.000 0.456 437 I N 5.906 126.221 120.570 -0.426 0.000 2.583 437 I HA 0.349 4.517 4.170 -0.003 0.000 0.276 437 I C -0.800 175.089 176.117 -0.381 0.000 1.089 437 I CA -0.082 61.066 61.300 -0.253 0.000 1.103 437 I CB 1.173 39.087 38.000 -0.143 0.000 1.209 437 I HN 0.456 nan 8.210 nan 0.000 0.484 438 S N 2.958 118.466 115.700 -0.320 0.000 2.569 438 S HA 0.736 5.204 4.470 -0.003 0.000 0.280 438 S C 0.480 175.078 174.600 -0.004 0.000 1.111 438 S CA 0.069 58.120 58.200 -0.249 0.000 0.887 438 S CB 2.166 65.067 63.200 -0.500 0.000 1.095 438 S HN 0.830 nan 8.310 nan 0.000 0.476 439 A N 2.156 125.002 122.820 0.044 0.000 2.847 439 A HA -0.166 4.152 4.320 -0.003 0.000 0.263 439 A C -0.042 177.577 177.584 0.058 0.000 1.391 439 A CA 0.683 52.770 52.037 0.083 0.000 0.866 439 A CB -2.228 16.832 19.000 0.100 0.000 1.057 439 A HN 0.726 nan 8.150 nan 0.000 0.673 440 N N 0.671 119.388 118.700 0.027 0.000 2.719 440 N HA 0.173 4.911 4.740 -0.003 0.000 0.243 440 N C 1.163 176.685 175.510 0.021 0.000 1.104 440 N CA -0.469 52.595 53.050 0.023 0.000 0.981 440 N CB 0.507 38.997 38.487 0.004 0.000 1.290 440 N HN 0.424 nan 8.380 nan 0.000 0.513 441 R N 1.086 121.607 120.500 0.035 0.000 2.154 441 R HA -0.173 4.166 4.340 -0.003 0.000 0.248 441 R C 0.966 177.288 176.300 0.037 0.000 1.155 441 R CA 1.319 57.442 56.100 0.039 0.000 0.979 441 R CB -0.030 30.288 30.300 0.029 0.000 0.869 441 R HN 0.612 nan 8.270 nan 0.000 0.452 442 Q N 0.264 120.077 119.800 0.021 0.000 2.219 442 Q HA 0.149 4.488 4.340 -0.003 0.000 0.209 442 Q C -0.413 175.608 176.000 0.034 0.000 0.854 442 Q CA -0.395 55.416 55.803 0.015 0.000 0.960 442 Q CB 0.528 29.253 28.738 -0.022 0.000 1.116 442 Q HN 0.019 nan 8.270 nan 0.000 0.500 443 L N 0.598 121.844 121.223 0.039 0.000 2.313 443 L HA 0.211 4.550 4.340 -0.003 0.000 0.282 443 L C -0.719 176.258 176.870 0.179 0.000 1.092 443 L CA 0.240 55.111 54.840 0.053 0.000 0.831 443 L CB 0.652 42.672 42.059 -0.065 0.000 1.159 443 L HN 0.051 nan 8.230 nan 0.000 0.442 444 c N 2.833 121.574 118.600 0.235 0.000 2.803 444 c HA 0.496 5.064 4.570 -0.003 0.000 0.389 444 c C 0.106 174.394 174.090 0.329 0.000 1.433 444 c CA -0.317 56.131 56.329 0.198 0.000 1.714 444 c CB 0.994 43.395 42.510 -0.181 0.000 2.106 444 c HN 0.937 nan 8.230 nan 0.000 0.480 445 Y N -1.448 118.944 120.300 0.153 0.000 4.929 445 Y HA -0.285 4.264 4.550 -0.003 0.000 0.253 445 Y C 1.230 177.125 175.900 -0.007 0.000 0.946 445 Y CA 1.590 59.723 58.100 0.054 0.000 1.905 445 Y CB -2.312 36.177 38.460 0.050 0.000 1.400 445 Y HN 0.959 nan 8.280 nan 0.000 0.531 446 H N -3.821 115.268 119.070 0.032 0.000 2.705 446 H HA 0.271 4.825 4.556 -0.003 0.000 0.269 446 H C 1.657 176.929 175.328 -0.093 0.000 0.998 446 H CA 0.563 56.582 56.048 -0.048 0.000 1.193 446 H CB -0.252 29.513 29.762 0.004 0.000 1.485 446 H HN 0.472 nan 8.280 nan 0.000 0.521 447 H N 0.761 119.471 119.070 -0.599 0.000 2.395 447 H HA 0.009 4.564 4.556 -0.003 0.000 0.299 447 H C 1.425 176.640 175.328 -0.190 0.000 1.070 447 H CA 1.529 57.328 56.048 -0.415 0.000 1.356 447 H CB 0.358 29.889 29.762 -0.385 0.000 1.401 447 H HN 0.472 nan 8.280 nan 0.000 0.524 448 S N 0.783 116.435 115.700 -0.080 0.000 2.470 448 S HA -0.003 4.465 4.470 -0.003 0.000 0.225 448 S C 0.983 175.474 174.600 -0.181 0.000 1.006 448 S CA -0.303 57.837 58.200 -0.101 0.000 0.934 448 S CB -0.137 63.007 63.200 -0.093 0.000 0.778 448 S HN 0.038 nan 8.310 nan 0.000 0.517 449 L N 3.800 124.841 121.223 -0.305 0.000 2.667 449 L HA 0.047 4.386 4.340 -0.003 0.000 0.278 449 L C 0.191 176.757 176.870 -0.507 0.000 1.217 449 L CA 0.193 54.692 54.840 -0.567 0.000 0.935 449 L CB -0.577 40.904 42.059 -0.963 0.000 1.193 449 L HN 0.050 nan 8.230 nan 0.000 0.493 450 N N 3.900 122.363 118.700 -0.395 0.000 2.448 450 N HA 0.041 4.779 4.740 -0.003 0.000 0.250 450 N C 0.312 175.692 175.510 -0.217 0.000 1.136 450 N CA 0.038 52.960 53.050 -0.213 0.000 0.953 450 N CB 0.186 38.603 38.487 -0.118 0.000 1.251 450 N HN 0.526 nan 8.380 nan 0.000 0.502 451 W N 0.913 122.197 121.300 -0.027 0.000 2.421 451 W HA -0.119 4.540 4.660 -0.003 0.000 0.270 451 W C 2.375 178.908 176.519 0.023 0.000 1.233 451 W CA 1.024 58.375 57.345 0.009 0.000 1.226 451 W CB -0.267 29.208 29.460 0.025 0.000 1.121 451 W HN 0.543 nan 8.180 nan 0.000 0.579 452 T N -1.385 113.286 114.554 0.194 0.000 3.051 452 T HA -0.110 4.239 4.350 -0.003 0.000 0.269 452 T C 1.551 176.300 174.700 0.083 0.000 1.127 452 T CA 1.134 63.309 62.100 0.126 0.000 1.107 452 T CB -0.102 68.818 68.868 0.088 0.000 0.898 452 T HN 0.071 nan 8.240 nan 0.000 0.517 453 K N 0.042 120.475 120.400 0.054 0.000 2.243 453 K HA 0.196 4.515 4.320 -0.003 0.000 0.201 453 K C 2.050 178.696 176.600 0.077 0.000 1.051 453 K CA 0.669 56.979 56.287 0.039 0.000 0.970 453 K CB 0.203 32.700 32.500 -0.006 0.000 0.755 453 K HN 0.252 nan 8.250 nan 0.000 0.465 454 V N 0.290 120.276 119.914 0.121 0.000 2.492 454 V HA 0.049 4.167 4.120 -0.003 0.000 0.241 454 V C 0.495 176.711 176.094 0.204 0.000 1.041 454 V CA 0.330 62.745 62.300 0.190 0.000 1.057 454 V CB 0.053 32.048 31.823 0.287 0.000 0.711 454 V HN 0.149 nan 8.190 nan 0.000 0.468 455 L N 1.835 123.200 121.223 0.236 0.000 2.272 455 L HA 0.541 4.879 4.340 -0.003 0.000 0.284 455 L C 0.080 177.023 176.870 0.121 0.000 1.045 455 L CA -0.087 54.863 54.840 0.184 0.000 0.842 455 L CB 0.538 42.726 42.059 0.216 0.000 1.224 455 L HN 0.075 nan 8.230 nan 0.000 0.430 456 R N 2.752 123.305 120.500 0.087 0.000 2.528 456 R HA 0.889 5.228 4.340 -0.003 0.000 0.271 456 R C 0.204 176.532 176.300 0.047 0.000 1.056 456 R CA 0.394 56.532 56.100 0.063 0.000 1.117 456 R CB 1.367 31.698 30.300 0.052 0.000 1.085 456 R HN 0.909 nan 8.270 nan 0.000 0.530 457 G N 1.336 110.158 108.800 0.037 0.000 2.434 457 G HA2 -0.107 3.851 3.960 -0.003 0.000 0.671 457 G HA3 -0.107 3.851 3.960 -0.003 0.000 0.671 457 G C -2.514 172.401 174.900 0.025 0.000 1.280 457 G CA -1.114 44.001 45.100 0.026 0.000 0.975 457 G HN 0.564 nan 8.290 nan 0.000 0.510 458 P HA 0.224 nan 4.420 nan 0.000 0.265 458 P C 0.796 178.109 177.300 0.020 0.000 1.187 458 P CA 0.586 63.695 63.100 0.014 0.000 0.766 458 P CB 0.536 32.238 31.700 0.004 0.000 0.820 459 T N 0.394 114.963 114.554 0.026 0.000 2.983 459 T HA -0.057 4.291 4.350 -0.003 0.000 0.250 459 T C 1.326 176.036 174.700 0.016 0.000 1.037 459 T CA 0.556 62.675 62.100 0.033 0.000 1.142 459 T CB -0.322 68.575 68.868 0.049 0.000 0.876 459 T HN 0.406 nan 8.240 nan 0.000 0.455 460 E N 1.319 121.526 120.200 0.011 0.000 2.884 460 E HA -0.275 4.074 4.350 -0.003 0.000 0.224 460 E C 1.110 177.709 176.600 -0.003 0.000 0.921 460 E CA 2.300 58.702 56.400 0.003 0.000 1.498 460 E CB -0.180 29.518 29.700 -0.003 0.000 1.476 460 E HN 0.522 nan 8.360 nan 0.000 0.464 461 E N -1.291 118.901 120.200 -0.013 0.000 2.968 461 E HA 0.178 4.527 4.350 -0.003 0.000 0.202 461 E C 0.120 176.701 176.600 -0.031 0.000 0.979 461 E CA -0.086 56.301 56.400 -0.020 0.000 1.192 461 E CB 0.624 30.310 29.700 -0.024 0.000 1.059 461 E HN 0.104 nan 8.360 nan 0.000 0.470 462 R N 0.439 120.919 120.500 -0.033 0.000 2.427 462 R HA 0.306 4.644 4.340 -0.003 0.000 0.262 462 R C 0.166 176.434 176.300 -0.052 0.000 0.943 462 R CA 0.113 56.184 56.100 -0.047 0.000 1.081 462 R CB 0.709 30.985 30.300 -0.040 0.000 1.166 462 R HN -0.055 nan 8.270 nan 0.000 0.534 463 L N 1.168 122.357 121.223 -0.056 0.000 2.353 463 L HA 0.298 4.636 4.340 -0.003 0.000 0.270 463 L C -0.759 176.067 176.870 -0.074 0.000 1.003 463 L CA -0.505 54.263 54.840 -0.121 0.000 0.862 463 L CB 1.697 43.670 42.059 -0.144 0.000 1.221 463 L HN -0.087 nan 8.230 nan 0.000 0.430 464 D N 5.288 125.658 120.400 -0.050 0.000 2.518 464 D HA 0.356 4.994 4.640 -0.003 0.000 0.230 464 D C -0.440 175.649 176.300 -0.352 0.000 1.138 464 D CA -0.079 53.853 54.000 -0.112 0.000 0.964 464 D CB 0.525 41.377 40.800 0.087 0.000 1.011 464 D HN 0.285 nan 8.370 nan 0.000 0.517 465 I N 3.476 123.892 120.570 -0.257 0.000 2.411 465 I HA 0.322 4.490 4.170 -0.003 0.000 0.284 465 I C 0.010 176.011 176.117 -0.195 0.000 1.012 465 I CA -0.706 60.446 61.300 -0.246 0.000 1.119 465 I CB 1.447 39.372 38.000 -0.125 0.000 1.261 465 I HN 0.100 nan 8.210 nan 0.000 0.448 466 K N 5.048 125.298 120.400 -0.249 0.000 2.597 466 K HA 0.362 4.681 4.320 -0.003 0.000 0.282 466 K C -0.507 175.982 176.600 -0.186 0.000 0.975 466 K CA -0.636 55.482 56.287 -0.282 0.000 0.867 466 K CB 1.394 33.626 32.500 -0.447 0.000 1.465 466 K HN 0.524 nan 8.250 nan 0.000 0.417 467 H N -0.782 118.288 119.070 -0.000 0.000 2.862 467 H HA -0.154 4.400 4.556 -0.003 0.000 0.290 467 H C -0.837 174.494 175.328 0.006 0.000 1.211 467 H CA 1.292 57.345 56.048 0.008 0.000 1.140 467 H CB -2.078 27.682 29.762 -0.004 0.000 1.341 467 H HN 0.738 nan 8.280 nan 0.000 0.392 468 N N 0.088 118.845 118.700 0.095 0.000 2.514 468 N HA 0.326 5.064 4.740 -0.003 0.000 0.299 468 N C 0.616 176.224 175.510 0.165 0.000 1.292 468 N CA -0.925 52.169 53.050 0.072 0.000 0.963 468 N CB 0.827 39.259 38.487 -0.092 0.000 1.124 468 N HN 0.106 nan 8.380 nan 0.000 0.580 469 R N 1.621 122.232 120.500 0.186 0.000 2.480 469 R HA 0.095 4.433 4.340 -0.003 0.000 0.303 469 R C -2.267 174.181 176.300 0.247 0.000 0.985 469 R CA -0.976 55.233 56.100 0.181 0.000 1.051 469 R CB 0.217 30.604 30.300 0.144 0.000 0.935 469 R HN 0.411 nan 8.270 nan 0.000 0.410 470 P HA -0.054 nan 4.420 nan 0.000 0.268 470 P C -0.375 176.862 177.300 -0.105 0.000 1.204 470 P CA 0.102 63.236 63.100 0.058 0.000 0.768 470 P CB 0.871 32.586 31.700 0.025 0.000 0.842 471 R N 3.752 124.013 120.500 -0.398 0.000 2.083 471 R HA -0.199 4.139 4.340 -0.003 0.000 0.237 471 R C 2.284 178.379 176.300 -0.342 0.000 1.137 471 R CA 1.378 57.022 56.100 -0.759 0.000 0.951 471 R CB -0.312 29.442 30.300 -0.910 0.000 0.851 471 R HN 0.357 nan 8.270 nan 0.000 0.434 472 R N 0.395 120.766 120.500 -0.215 0.000 2.103 472 R HA -0.184 4.154 4.340 -0.003 0.000 0.242 472 R C 1.083 177.319 176.300 -0.107 0.000 1.142 472 R CA 2.315 58.335 56.100 -0.134 0.000 0.960 472 R CB -0.358 29.888 30.300 -0.090 0.000 0.858 472 R HN 0.314 nan 8.270 nan 0.000 0.439 473 D N -0.208 120.137 120.400 -0.092 0.000 2.149 473 D HA -0.093 4.545 4.640 -0.003 0.000 0.201 473 D C 1.990 178.242 176.300 -0.081 0.000 0.972 473 D CA 1.021 54.982 54.000 -0.065 0.000 0.835 473 D CB -0.440 40.340 40.800 -0.034 0.000 0.966 473 D HN 0.269 nan 8.370 nan 0.000 0.476 474 c N 0.117 118.648 118.600 -0.114 0.000 2.436 474 c HA -0.079 4.490 4.570 -0.003 0.000 0.277 474 c C 2.833 176.832 174.090 -0.152 0.000 1.241 474 c CA 0.226 56.467 56.329 -0.146 0.000 1.721 474 c CB -0.824 41.580 42.510 -0.178 0.000 2.043 474 c HN 0.163 nan 8.230 nan 0.000 0.472 475 V N 1.032 120.854 119.914 -0.153 0.000 2.764 475 V HA -0.219 3.899 4.120 -0.003 0.000 0.261 475 V C 2.152 178.195 176.094 -0.084 0.000 1.108 475 V CA 2.147 64.375 62.300 -0.121 0.000 1.129 475 V CB -0.943 30.809 31.823 -0.118 0.000 0.701 475 V HN 0.678 nan 8.190 nan 0.000 0.495 476 A N -1.477 121.297 122.820 -0.075 0.000 2.431 476 A HA 0.201 4.519 4.320 -0.003 0.000 0.239 476 A C 1.688 179.248 177.584 -0.040 0.000 1.230 476 A CA -0.011 51.995 52.037 -0.051 0.000 0.928 476 A CB 0.095 19.068 19.000 -0.045 0.000 1.006 476 A HN 0.526 nan 8.150 nan 0.000 0.520 477 E N -0.559 119.612 120.200 -0.049 0.000 2.498 477 E HA 0.269 4.617 4.350 -0.003 0.000 0.203 477 E C 0.645 177.229 176.600 -0.027 0.000 1.013 477 E CA 0.115 56.496 56.400 -0.032 0.000 0.927 477 E CB 0.281 29.963 29.700 -0.030 0.000 1.012 477 E HN 0.632 nan 8.360 nan 0.000 0.482 478 G N 2.864 111.638 108.800 -0.044 0.000 2.333 478 G HA2 -0.301 3.657 3.960 -0.003 0.000 0.296 478 G HA3 -0.301 3.657 3.960 -0.003 0.000 0.296 478 G C -0.100 174.778 174.900 -0.037 0.000 1.059 478 G CA 0.219 45.300 45.100 -0.032 0.000 1.050 478 G HN 0.116 nan 8.290 nan 0.000 0.508 479 K N 0.102 120.413 120.400 -0.148 0.000 2.602 479 K HA 0.489 4.808 4.320 -0.003 0.000 0.201 479 K C 0.405 176.647 176.600 -0.597 0.000 1.070 479 K CA -0.161 55.900 56.287 -0.377 0.000 1.026 479 K CB 1.264 33.462 32.500 -0.502 0.000 1.534 479 K HN 0.616 nan 8.250 nan 0.000 0.560 480 V N -3.119 116.703 119.914 -0.154 0.000 3.156 480 V HA 0.481 4.599 4.120 -0.003 0.000 0.310 480 V C 0.230 176.427 176.094 0.173 0.000 1.234 480 V CA -1.294 60.983 62.300 -0.039 0.000 1.065 480 V CB 1.345 33.132 31.823 -0.059 0.000 1.088 480 V HN 0.321 nan 8.190 nan 0.000 0.451 481 c N 1.970 120.635 118.600 0.109 0.000 2.662 481 c HA 0.189 4.757 4.570 -0.003 0.000 0.420 481 c C 0.769 174.896 174.090 0.063 0.000 1.314 481 c CA 0.110 56.495 56.329 0.094 0.000 1.963 481 c CB -1.091 41.430 42.510 0.019 0.000 2.686 481 c HN 0.998 nan 8.230 nan 0.000 0.609 482 D N 3.196 123.629 120.400 0.055 0.000 2.548 482 D HA -0.041 4.598 4.640 -0.003 0.000 0.231 482 D C -1.373 174.936 176.300 0.015 0.000 1.142 482 D CA -0.449 53.570 54.000 0.032 0.000 0.866 482 D CB 0.826 41.637 40.800 0.019 0.000 1.190 482 D HN 0.336 nan 8.370 nan 0.000 0.469 483 P HA -0.054 nan 4.420 nan 0.000 0.222 483 P C 1.326 178.626 177.300 -0.000 0.000 1.147 483 P CA 0.689 63.792 63.100 0.004 0.000 0.790 483 P CB 0.173 31.878 31.700 0.008 0.000 0.780 484 L N -2.203 119.022 121.223 0.003 0.000 2.478 484 L HA -0.019 4.319 4.340 -0.003 0.000 0.223 484 L C 0.950 177.812 176.870 -0.013 0.000 1.140 484 L CA 0.015 54.854 54.840 -0.000 0.000 0.842 484 L CB -0.576 41.488 42.059 0.008 0.000 0.953 484 L HN -0.029 nan 8.230 nan 0.000 0.452 485 c N 0.400 118.991 118.600 -0.016 0.000 2.652 485 c HA 0.223 4.792 4.570 -0.003 0.000 0.412 485 c C 1.448 175.515 174.090 -0.039 0.000 1.294 485 c CA -0.864 55.447 56.329 -0.029 0.000 2.127 485 c CB 0.716 43.206 42.510 -0.034 0.000 2.691 485 c HN 0.492 nan 8.230 nan 0.000 0.615 486 S N 1.704 117.375 115.700 -0.048 0.000 2.624 486 S HA 0.127 4.596 4.470 -0.003 0.000 0.263 486 S C 1.124 175.687 174.600 -0.062 0.000 1.287 486 S CA 0.176 58.345 58.200 -0.052 0.000 0.990 486 S CB 0.783 63.952 63.200 -0.052 0.000 0.950 486 S HN 1.061 nan 8.310 nan 0.000 0.561 487 S N 0.505 116.171 115.700 -0.057 0.000 2.584 487 S HA 0.037 4.506 4.470 -0.003 0.000 0.240 487 S C 1.589 176.139 174.600 -0.084 0.000 0.975 487 S CA 0.534 58.697 58.200 -0.062 0.000 0.949 487 S CB -1.389 61.781 63.200 -0.049 0.000 0.761 487 S HN 1.007 nan 8.310 nan 0.000 0.536 488 G N 1.356 110.096 108.800 -0.100 0.000 2.505 488 G HA2 0.440 4.398 3.960 -0.003 0.000 0.214 488 G HA3 0.440 4.398 3.960 -0.003 0.000 0.214 488 G C 0.780 175.555 174.900 -0.209 0.000 1.237 488 G CA 0.412 45.424 45.100 -0.146 0.000 0.802 488 G HN 1.362 nan 8.290 nan 0.000 0.549 489 G N -2.394 106.276 108.800 -0.217 0.000 2.340 489 G HA2 0.418 4.376 3.960 -0.003 0.000 0.282 489 G HA3 0.418 4.376 3.960 -0.003 0.000 0.282 489 G C -0.661 174.061 174.900 -0.297 0.000 1.312 489 G CA -0.089 44.864 45.100 -0.245 0.000 0.942 489 G HN 1.456 nan 8.290 nan 0.000 0.495 490 c N -3.690 114.722 118.600 -0.314 0.000 3.213 490 c HA 0.855 5.423 4.570 -0.003 0.000 0.319 490 c C 0.082 173.931 174.090 -0.402 0.000 1.386 490 c CA -1.021 55.137 56.329 -0.285 0.000 1.494 490 c CB 0.888 43.352 42.510 -0.077 0.000 1.905 490 c HN 0.957 nan 8.230 nan 0.000 0.456 491 W N 0.947 122.224 121.300 -0.038 0.000 3.102 491 W HA 0.549 5.208 4.660 -0.003 0.000 0.401 491 W C 1.052 177.499 176.519 -0.119 0.000 1.070 491 W CA 0.587 57.913 57.345 -0.031 0.000 1.921 491 W CB 0.492 29.948 29.460 -0.008 0.000 1.118 491 W HN 1.383 nan 8.180 nan 0.000 0.647 492 G N -0.049 108.700 108.800 -0.085 0.000 2.345 492 G HA2 0.113 4.071 3.960 -0.003 0.000 0.285 492 G HA3 0.113 4.071 3.960 -0.003 0.000 0.285 492 G C -3.090 171.319 174.900 -0.819 0.000 1.297 492 G CA -1.199 43.544 45.100 -0.595 0.000 0.875 492 G HN -0.378 nan 8.290 nan 0.000 0.506 493 P HA 0.523 nan 4.420 nan 0.000 0.277 493 P C 0.700 177.902 177.300 -0.164 0.000 1.271 493 P CA 1.291 64.126 63.100 -0.441 0.000 0.795 493 P CB 0.900 32.439 31.700 -0.269 0.000 1.101 494 G N 0.772 109.542 108.800 -0.050 0.000 2.819 494 G HA2 -0.131 3.827 3.960 -0.003 0.000 0.682 494 G HA3 -0.131 3.827 3.960 -0.003 0.000 0.682 494 G C -2.004 172.886 174.900 -0.018 0.000 1.481 494 G CA -0.211 44.873 45.100 -0.027 0.000 0.904 494 G HN 0.434 nan 8.290 nan 0.000 0.563 495 P HA 0.079 nan 4.420 nan 0.000 0.231 495 P C 1.566 178.865 177.300 -0.002 0.000 1.168 495 P CA 1.620 64.718 63.100 -0.004 0.000 0.779 495 P CB 0.046 31.744 31.700 -0.004 0.000 0.844 496 G N -0.182 108.616 108.800 -0.004 0.000 3.088 496 G HA2 -0.076 3.882 3.960 -0.003 0.000 0.212 496 G HA3 -0.076 3.882 3.960 -0.003 0.000 0.212 496 G C 1.220 176.140 174.900 0.032 0.000 1.173 496 G CA 0.095 45.199 45.100 0.007 0.000 0.779 496 G HN 0.179 nan 8.290 nan 0.000 0.540 497 Q N -0.230 119.591 119.800 0.034 0.000 2.219 497 Q HA 0.164 4.502 4.340 -0.003 0.000 0.209 497 Q C 0.509 176.590 176.000 0.134 0.000 0.854 497 Q CA -0.191 55.669 55.803 0.094 0.000 0.960 497 Q CB 0.424 29.174 28.738 0.020 0.000 1.116 497 Q HN 0.365 nan 8.270 nan 0.000 0.500 498 c N 0.510 119.155 118.600 0.074 0.000 2.656 498 c HA 0.137 4.706 4.570 -0.003 0.000 0.391 498 c C 2.341 176.474 174.090 0.071 0.000 1.300 498 c CA -0.280 56.066 56.329 0.028 0.000 2.302 498 c CB -0.086 42.428 42.510 0.005 0.000 2.655 498 c HN 0.489 nan 8.230 nan 0.000 0.656 499 L N 1.633 122.837 121.223 -0.031 0.000 2.095 499 L HA 0.035 4.374 4.340 -0.003 0.000 0.204 499 L C 1.041 177.924 176.870 0.022 0.000 1.080 499 L CA 1.307 56.150 54.840 0.005 0.000 0.759 499 L CB 0.007 41.981 42.059 -0.141 0.000 0.914 499 L HN 0.926 nan 8.230 nan 0.000 0.439 500 S N -2.732 112.959 115.700 -0.015 0.000 2.543 500 S HA 0.305 4.774 4.470 -0.003 0.000 0.274 500 S C -0.668 173.916 174.600 -0.026 0.000 1.149 500 S CA -1.316 56.877 58.200 -0.011 0.000 0.866 500 S CB 0.738 63.929 63.200 -0.015 0.000 1.111 500 S HN 0.049 nan 8.310 nan 0.000 0.457 501 c N 2.904 121.489 118.600 -0.025 0.000 2.604 501 c HA 0.451 5.019 4.570 -0.003 0.000 0.396 501 c C 2.313 176.370 174.090 -0.055 0.000 1.282 501 c CA -0.627 55.681 56.329 -0.035 0.000 2.292 501 c CB -0.031 42.461 42.510 -0.030 0.000 2.633 501 c HN 1.070 nan 8.230 nan 0.000 0.620 502 R N 0.908 121.375 120.500 -0.055 0.000 2.057 502 R HA -0.076 4.263 4.340 -0.003 0.000 0.229 502 R C 1.130 177.360 176.300 -0.117 0.000 1.136 502 R CA 1.844 57.903 56.100 -0.068 0.000 0.952 502 R CB -0.091 30.180 30.300 -0.047 0.000 0.848 502 R HN 0.791 nan 8.270 nan 0.000 0.430 503 N N -1.690 116.929 118.700 -0.135 0.000 2.269 503 N HA 0.085 4.823 4.740 -0.003 0.000 0.236 503 N C -0.266 174.990 175.510 -0.423 0.000 1.101 503 N CA 0.265 53.130 53.050 -0.308 0.000 1.155 503 N CB -0.116 38.259 38.487 -0.187 0.000 1.526 503 N HN -0.027 nan 8.380 nan 0.000 0.582 504 Y N -0.288 120.019 120.300 0.012 0.000 2.621 504 Y HA 0.631 5.179 4.550 -0.003 0.000 0.334 504 Y C -0.115 175.742 175.900 -0.071 0.000 1.074 504 Y CA -1.156 56.928 58.100 -0.026 0.000 1.149 504 Y CB 1.791 40.237 38.460 -0.023 0.000 1.302 504 Y HN 0.177 nan 8.280 nan 0.000 0.501 505 S N 1.056 116.795 115.700 0.065 0.000 2.541 505 S HA 0.688 5.156 4.470 -0.003 0.000 0.280 505 S C -1.309 173.208 174.600 -0.138 0.000 1.112 505 S CA -1.088 57.088 58.200 -0.039 0.000 0.925 505 S CB 2.216 65.392 63.200 -0.040 0.000 1.067 505 S HN 0.777 nan 8.310 nan 0.000 0.479 506 R N 1.345 121.758 120.500 -0.145 0.000 2.507 506 R HA 0.519 4.857 4.340 -0.003 0.000 0.298 506 R C 0.468 176.688 176.300 -0.133 0.000 1.087 506 R CA 0.242 56.223 56.100 -0.198 0.000 0.917 506 R CB 0.577 30.743 30.300 -0.222 0.000 1.173 506 R HN 1.767 nan 8.270 nan 0.000 0.472 507 G N 2.500 111.226 108.800 -0.124 0.000 2.338 507 G HA2 -0.222 3.737 3.960 -0.003 0.000 0.296 507 G HA3 -0.222 3.737 3.960 -0.003 0.000 0.296 507 G C 0.766 175.641 174.900 -0.041 0.000 1.040 507 G CA 0.545 45.605 45.100 -0.066 0.000 1.004 507 G HN 1.570 nan 8.290 nan 0.000 0.509 508 G N -3.249 105.528 108.800 -0.038 0.000 2.143 508 G HA2 0.020 3.978 3.960 -0.003 0.000 0.249 508 G HA3 0.020 3.978 3.960 -0.003 0.000 0.249 508 G C 0.255 175.149 174.900 -0.010 0.000 0.981 508 G CA 0.516 45.609 45.100 -0.011 0.000 0.665 508 G HN 1.757 nan 8.290 nan 0.000 0.528 509 V N 1.002 120.898 119.914 -0.029 0.000 2.407 509 V HA 0.405 4.523 4.120 -0.003 0.000 0.291 509 V C 0.981 177.057 176.094 -0.030 0.000 1.018 509 V CA -0.897 61.387 62.300 -0.026 0.000 0.842 509 V CB 1.402 33.204 31.823 -0.036 0.000 0.996 509 V HN 0.436 nan 8.190 nan 0.000 0.426 510 c N 5.542 124.133 118.600 -0.015 0.000 2.642 510 c HA 0.496 5.064 4.570 -0.003 0.000 0.420 510 c C 0.617 174.702 174.090 -0.009 0.000 1.349 510 c CA -0.423 55.901 56.329 -0.009 0.000 1.821 510 c CB -0.482 42.026 42.510 -0.004 0.000 2.637 510 c HN 0.797 nan 8.230 nan 0.000 0.605 511 V N 1.371 121.287 119.914 0.005 0.000 2.962 511 V HA 0.653 4.772 4.120 -0.003 0.000 0.313 511 V C 0.599 176.740 176.094 0.078 0.000 1.099 511 V CA -0.199 62.098 62.300 -0.005 0.000 0.971 511 V CB 1.230 32.992 31.823 -0.102 0.000 1.028 511 V HN 0.876 nan 8.190 nan 0.000 0.430 512 T N -1.302 113.323 114.554 0.118 0.000 2.821 512 T HA 0.012 4.360 4.350 -0.003 0.000 0.267 512 T C 0.664 175.599 174.700 0.393 0.000 1.046 512 T CA 1.759 64.003 62.100 0.239 0.000 1.139 512 T CB -0.586 68.455 68.868 0.288 0.000 0.871 512 T HN 1.312 nan 8.240 nan 0.000 0.454 513 H N -1.633 117.548 119.070 0.184 0.000 3.046 513 H HA 0.522 5.077 4.556 -0.003 0.000 0.361 513 H C -1.361 173.900 175.328 -0.112 0.000 1.235 513 H CA -1.448 54.702 56.048 0.171 0.000 1.146 513 H CB 0.623 30.481 29.762 0.160 0.000 1.859 513 H HN 0.143 nan 8.280 nan 0.000 0.548 514 c N 1.076 119.357 118.600 -0.532 0.000 2.443 514 c HA 0.152 4.721 4.570 -0.003 0.000 0.369 514 c C 1.190 174.880 174.090 -0.667 0.000 1.241 514 c CA -0.659 55.124 56.329 -0.910 0.000 2.413 514 c CB -0.092 41.412 42.510 -1.676 0.000 2.451 514 c HN 0.742 nan 8.230 nan 0.000 0.595 515 N N 1.314 119.720 118.700 -0.489 0.000 3.085 515 N HA 0.037 4.775 4.740 -0.003 0.000 0.313 515 N C 0.663 176.083 175.510 -0.150 0.000 1.277 515 N CA 0.213 53.144 53.050 -0.198 0.000 1.150 515 N CB -0.473 37.930 38.487 -0.139 0.000 1.437 515 N HN 0.587 nan 8.380 nan 0.000 0.558 516 F N -0.004 119.957 119.950 0.017 0.000 2.134 516 F HA -0.112 4.413 4.527 -0.003 0.000 0.299 516 F C 1.567 177.387 175.800 0.034 0.000 1.097 516 F CA 0.930 58.941 58.000 0.019 0.000 1.264 516 F CB 0.138 39.140 39.000 0.004 0.000 1.001 516 F HN 0.187 nan 8.300 nan 0.000 0.479 517 L N -1.351 120.006 121.223 0.224 0.000 3.135 517 L HA 0.376 4.715 4.340 -0.003 0.000 0.279 517 L C -0.610 176.310 176.870 0.084 0.000 1.200 517 L CA -0.516 54.403 54.840 0.130 0.000 1.016 517 L CB -0.336 41.787 42.059 0.106 0.000 1.391 517 L HN 0.111 nan 8.230 nan 0.000 0.588 518 N N -0.413 118.336 118.700 0.081 0.000 3.179 518 N HA 0.596 5.335 4.740 -0.003 0.000 0.250 518 N C -0.313 175.226 175.510 0.050 0.000 1.507 518 N CA 0.007 53.090 53.050 0.055 0.000 0.883 518 N CB 0.783 39.298 38.487 0.047 0.000 1.435 518 N HN 0.035 nan 8.380 nan 0.000 0.532 519 G N -0.315 108.508 108.800 0.037 0.000 3.190 519 G HA2 -0.100 3.858 3.960 -0.003 0.000 0.686 519 G HA3 -0.100 3.858 3.960 -0.003 0.000 0.686 519 G C 0.315 175.217 174.900 0.003 0.000 1.033 519 G CA 0.061 45.175 45.100 0.024 0.000 0.797 519 G HN 0.670 nan 8.290 nan 0.000 0.567 520 E N 0.660 120.860 120.200 -0.000 0.000 2.113 520 E HA -0.175 4.174 4.350 -0.003 0.000 0.210 520 E C -0.983 175.615 176.600 -0.003 0.000 1.040 520 E CA 2.033 58.433 56.400 -0.002 0.000 0.847 520 E CB -0.637 29.061 29.700 -0.003 0.000 0.755 520 E HN 0.537 nan 8.360 nan 0.000 0.459 521 P HA 0.206 nan 4.420 nan 0.000 0.284 521 P C -0.590 176.699 177.300 -0.019 0.000 1.432 521 P CA -0.204 62.889 63.100 -0.011 0.000 0.929 521 P CB 0.579 32.266 31.700 -0.022 0.000 1.158 522 R N 2.475 122.979 120.500 0.006 0.000 2.643 522 R HA 0.323 4.662 4.340 -0.003 0.000 0.270 522 R C 0.514 176.827 176.300 0.021 0.000 1.061 522 R CA 0.172 56.279 56.100 0.011 0.000 1.107 522 R CB 0.421 30.747 30.300 0.044 0.000 0.999 522 R HN 0.533 nan 8.270 nan 0.000 0.460 523 E N 0.730 120.917 120.200 -0.021 0.000 2.456 523 E HA 0.556 4.904 4.350 -0.003 0.000 0.276 523 E C -0.955 175.674 176.600 0.049 0.000 0.981 523 E CA -0.809 55.567 56.400 -0.040 0.000 0.814 523 E CB 1.805 31.345 29.700 -0.267 0.000 1.382 523 E HN 0.442 nan 8.360 nan 0.000 0.459 524 F N -1.192 118.727 119.950 -0.051 0.000 2.613 524 F HA 0.879 5.404 4.527 -0.003 0.000 0.314 524 F C -1.257 174.607 175.800 0.107 0.000 1.075 524 F CA -1.290 56.760 58.000 0.084 0.000 0.945 524 F CB 1.216 40.319 39.000 0.172 0.000 1.310 524 F HN 0.475 nan 8.300 nan 0.000 0.467 525 A N 1.510 124.522 122.820 0.320 0.000 2.305 525 A HA 0.658 4.977 4.320 -0.003 0.000 0.322 525 A C -1.838 176.029 177.584 0.472 0.000 1.187 525 A CA -0.513 51.675 52.037 0.252 0.000 0.825 525 A CB 0.398 19.638 19.000 0.399 0.000 1.164 525 A HN 1.012 nan 8.150 nan 0.000 0.498 526 H N 0.729 119.988 119.070 0.315 0.000 2.840 526 H HA 0.416 4.970 4.556 -0.003 0.000 0.340 526 H C -0.391 175.106 175.328 0.281 0.000 1.004 526 H CA -0.156 56.104 56.048 0.354 0.000 1.288 526 H CB 0.754 30.768 29.762 0.420 0.000 1.607 526 H HN 0.884 nan 8.280 nan 0.000 0.522 527 E N 4.297 124.384 120.200 -0.188 0.000 2.149 527 E HA -0.241 4.107 4.350 -0.003 0.000 0.191 527 E C 0.249 176.857 176.600 0.014 0.000 1.384 527 E CA 0.850 57.168 56.400 -0.136 0.000 0.698 527 E CB -1.258 28.280 29.700 -0.270 0.000 1.086 527 E HN 0.967 nan 8.360 nan 0.000 0.338 528 A N -0.080 122.814 122.820 0.123 0.000 2.860 528 A HA -0.319 3.999 4.320 -0.003 0.000 0.267 528 A C 0.200 177.865 177.584 0.135 0.000 1.421 528 A CA 2.042 54.195 52.037 0.192 0.000 0.831 528 A CB -1.429 17.579 19.000 0.014 0.000 1.041 528 A HN 0.533 nan 8.150 nan 0.000 0.623 529 E N -1.296 118.897 120.200 -0.011 0.000 2.299 529 E HA 0.632 4.980 4.350 -0.003 0.000 0.265 529 E C -0.404 175.814 176.600 -0.636 0.000 0.911 529 E CA -0.756 55.457 56.400 -0.313 0.000 0.789 529 E CB 1.413 30.830 29.700 -0.472 0.000 1.246 529 E HN 0.491 nan 8.360 nan 0.000 0.427 530 c N 1.684 119.832 118.600 -0.754 0.000 2.273 530 c HA 0.568 5.136 4.570 -0.003 0.000 0.328 530 c C -0.665 172.857 174.090 -0.947 0.000 1.275 530 c CA -0.815 55.048 56.329 -0.776 0.000 1.704 530 c CB -1.610 40.562 42.510 -0.563 0.000 2.326 530 c HN 0.504 nan 8.230 nan 0.000 0.517 531 F N 1.060 120.685 119.950 -0.541 0.000 2.546 531 F HA 0.521 5.046 4.527 -0.003 0.000 0.320 531 F C 0.821 176.458 175.800 -0.271 0.000 1.076 531 F CA -0.564 57.182 58.000 -0.423 0.000 0.928 531 F CB 1.194 39.872 39.000 -0.536 0.000 1.189 531 F HN 0.515 nan 8.300 nan 0.000 0.465 532 S N -0.160 115.609 115.700 0.114 0.000 2.589 532 S HA 0.229 4.698 4.470 -0.003 0.000 0.265 532 S C -0.172 174.607 174.600 0.298 0.000 1.342 532 S CA -0.931 57.349 58.200 0.133 0.000 1.005 532 S CB 0.608 63.853 63.200 0.076 0.000 0.909 532 S HN 0.639 nan 8.310 nan 0.000 0.555 533 c N 1.980 120.723 118.600 0.238 0.000 2.500 533 c HA 0.239 4.808 4.570 -0.003 0.000 0.367 533 c C 1.160 175.361 174.090 0.186 0.000 1.283 533 c CA -0.584 55.892 56.329 0.244 0.000 2.456 533 c CB -0.611 42.002 42.510 0.172 0.000 2.457 533 c HN 0.832 nan 8.230 nan 0.000 0.632 534 H N 2.129 121.251 119.070 0.087 0.000 3.094 534 H HA -0.007 4.547 4.556 -0.003 0.000 0.320 534 H C -1.459 173.911 175.328 0.069 0.000 1.000 534 H CA -0.259 55.830 56.048 0.068 0.000 1.413 534 H CB 0.630 30.419 29.762 0.045 0.000 1.405 534 H HN 0.400 nan 8.280 nan 0.000 0.586 535 P HA -0.203 nan 4.420 nan 0.000 0.218 535 P C -0.260 177.104 177.300 0.107 0.000 1.147 535 P CA 1.931 65.013 63.100 -0.030 0.000 0.827 535 P CB 0.157 31.787 31.700 -0.115 0.000 0.778 536 E N -2.571 117.776 120.200 0.244 0.000 3.898 536 E HA 0.310 4.659 4.350 -0.003 0.000 0.219 536 E C -0.793 175.916 176.600 0.182 0.000 1.207 536 E CA -0.543 55.992 56.400 0.225 0.000 1.240 536 E CB -0.758 29.134 29.700 0.320 0.000 1.239 536 E HN -0.045 nan 8.360 nan 0.000 0.422 537 c N 0.765 119.447 118.600 0.137 0.000 2.480 537 c HA 0.368 4.936 4.570 -0.003 0.000 0.358 537 c C 0.451 174.552 174.090 0.019 0.000 1.309 537 c CA -0.533 55.836 56.329 0.066 0.000 2.465 537 c CB 0.534 43.085 42.510 0.068 0.000 2.379 537 c HN 0.682 nan 8.230 nan 0.000 0.642 538 Q N 1.580 121.371 119.800 -0.014 0.000 2.279 538 Q HA 0.338 4.676 4.340 -0.003 0.000 0.256 538 Q C -2.543 173.454 176.000 -0.006 0.000 0.937 538 Q CA -0.965 54.816 55.803 -0.036 0.000 0.933 538 Q CB 0.612 29.315 28.738 -0.057 0.000 1.189 538 Q HN 0.409 nan 8.270 nan 0.000 0.417 539 P HA 0.060 nan 4.420 nan 0.000 0.270 539 P C -1.078 176.227 177.300 0.009 0.000 1.242 539 P CA 0.137 63.244 63.100 0.012 0.000 0.768 539 P CB 0.490 32.195 31.700 0.008 0.000 0.820 540 M N 2.643 122.255 119.600 0.020 0.000 2.157 540 M HA 0.223 4.701 4.480 -0.003 0.000 0.354 540 M C 0.339 176.654 176.300 0.024 0.000 1.170 540 M CA -0.934 54.377 55.300 0.018 0.000 1.060 540 M CB 0.472 33.085 32.600 0.023 0.000 1.615 540 M HN 0.205 nan 8.290 nan 0.000 0.460 541 E N 1.553 121.763 120.200 0.016 0.000 2.159 541 E HA 0.409 4.758 4.350 -0.003 0.000 0.272 541 E C 1.096 177.709 176.600 0.022 0.000 1.138 541 E CA 0.997 57.408 56.400 0.018 0.000 0.915 541 E CB -0.175 29.531 29.700 0.010 0.000 1.028 541 E HN 0.876 nan 8.360 nan 0.000 0.423 542 G N 2.998 111.816 108.800 0.031 0.000 2.159 542 G HA2 -0.264 3.694 3.960 -0.003 0.000 0.256 542 G HA3 -0.264 3.694 3.960 -0.003 0.000 0.256 542 G C 0.401 175.322 174.900 0.036 0.000 0.977 542 G CA 0.441 45.561 45.100 0.032 0.000 0.652 542 G HN 0.551 nan 8.290 nan 0.000 0.531 543 T N -0.165 114.415 114.554 0.043 0.000 2.906 543 T HA 0.761 5.109 4.350 -0.003 0.000 0.295 543 T C 0.395 175.137 174.700 0.070 0.000 1.075 543 T CA 0.118 62.245 62.100 0.045 0.000 1.005 543 T CB 1.905 70.791 68.868 0.030 0.000 1.136 543 T HN 1.519 nan 8.240 nan 0.000 0.498 544 A N 1.108 123.976 122.820 0.080 0.000 2.546 544 A HA 0.333 4.651 4.320 -0.003 0.000 0.243 544 A C 1.384 179.020 177.584 0.087 0.000 1.063 544 A CA 0.090 52.195 52.037 0.115 0.000 0.757 544 A CB -0.353 18.717 19.000 0.116 0.000 0.991 544 A HN 0.868 nan 8.150 nan 0.000 0.503 545 T N 0.922 115.536 114.554 0.099 0.000 2.978 545 T HA 0.060 4.409 4.350 -0.003 0.000 0.262 545 T C 0.727 175.465 174.700 0.063 0.000 1.063 545 T CA 1.482 63.626 62.100 0.072 0.000 1.140 545 T CB -0.654 68.260 68.868 0.077 0.000 0.886 545 T HN 1.174 nan 8.240 nan 0.000 0.470 546 c N 1.452 120.103 118.600 0.085 0.000 3.318 546 c HA 0.696 5.265 4.570 -0.003 0.000 0.322 546 c C -0.473 173.639 174.090 0.037 0.000 1.398 546 c CA -1.182 55.165 56.329 0.029 0.000 1.339 546 c CB 1.330 43.842 42.510 0.003 0.000 1.668 546 c HN 0.443 nan 8.230 nan 0.000 0.462 547 N N 0.472 119.121 118.700 -0.085 0.000 2.377 547 N HA 0.475 5.213 4.740 -0.003 0.000 0.259 547 N C -0.049 175.225 175.510 -0.393 0.000 1.332 547 N CA 0.528 53.536 53.050 -0.071 0.000 0.877 547 N CB 1.256 39.741 38.487 -0.003 0.000 1.299 547 N HN 1.769 nan 8.380 nan 0.000 0.501 548 G N -0.081 108.118 108.800 -1.002 0.000 2.325 548 G HA2 0.254 4.212 3.960 -0.003 0.000 0.297 548 G HA3 0.254 4.212 3.960 -0.003 0.000 0.297 548 G C -1.621 172.574 174.900 -1.175 0.000 1.448 548 G CA -0.697 43.475 45.100 -1.547 0.000 0.838 548 G HN 0.158 nan 8.290 nan 0.000 0.579 549 S N -0.797 114.483 115.700 -0.699 0.000 2.586 549 S HA 0.875 5.343 4.470 -0.003 0.000 0.274 549 S C 0.634 175.214 174.600 -0.033 0.000 1.281 549 S CA 0.252 58.399 58.200 -0.088 0.000 1.035 549 S CB 1.387 64.660 63.200 0.122 0.000 0.962 549 S HN 2.590 nan 8.310 nan 0.000 0.512 550 G N 0.837 109.724 108.800 0.146 0.000 2.539 550 G HA2 0.002 3.961 3.960 -0.003 0.000 0.686 550 G HA3 0.002 3.961 3.960 -0.003 0.000 0.686 550 G C 0.299 175.200 174.900 0.002 0.000 1.258 550 G CA -0.328 44.868 45.100 0.159 0.000 0.846 550 G HN 1.093 nan 8.290 nan 0.000 0.647 551 S N -0.571 114.980 115.700 -0.247 0.000 2.406 551 S HA -0.031 4.437 4.470 -0.003 0.000 0.228 551 S C 1.344 175.889 174.600 -0.092 0.000 1.020 551 S CA 1.768 59.751 58.200 -0.362 0.000 0.965 551 S CB -0.200 62.779 63.200 -0.368 0.000 0.798 551 S HN 1.196 nan 8.310 nan 0.000 0.488 552 D N 0.868 121.271 120.400 0.005 0.000 2.652 552 D HA 0.186 4.825 4.640 -0.003 0.000 0.247 552 D C 0.669 176.909 176.300 -0.100 0.000 1.232 552 D CA 0.381 54.318 54.000 -0.106 0.000 0.863 552 D CB -0.074 40.620 40.800 -0.177 0.000 1.023 552 D HN 0.362 nan 8.370 nan 0.000 0.474 553 T N -2.229 112.271 114.554 -0.090 0.000 3.333 553 T HA 0.074 4.422 4.350 -0.003 0.000 0.289 553 T C 0.219 174.872 174.700 -0.079 0.000 0.866 553 T CA -0.142 61.899 62.100 -0.099 0.000 0.872 553 T CB -0.668 68.113 68.868 -0.145 0.000 1.227 553 T HN 0.354 nan 8.240 nan 0.000 0.676 554 c N 2.581 121.148 118.600 -0.056 0.000 2.702 554 c HA 0.602 5.170 4.570 -0.003 0.000 0.411 554 c C 2.444 176.519 174.090 -0.025 0.000 1.286 554 c CA 0.255 56.569 56.329 -0.025 0.000 1.979 554 c CB 0.139 42.642 42.510 -0.011 0.000 2.728 554 c HN 0.672 nan 8.230 nan 0.000 0.652 555 A N 1.423 124.238 122.820 -0.008 0.000 1.968 555 A HA 0.018 4.336 4.320 -0.003 0.000 0.217 555 A C 0.807 178.384 177.584 -0.013 0.000 1.169 555 A CA 1.347 53.380 52.037 -0.007 0.000 0.638 555 A CB -0.107 18.896 19.000 0.006 0.000 0.812 555 A HN 0.913 nan 8.150 nan 0.000 0.446 556 Q N -1.379 118.414 119.800 -0.012 0.000 2.378 556 Q HA 0.387 4.725 4.340 -0.003 0.000 0.262 556 Q C -1.866 174.122 176.000 -0.021 0.000 0.978 556 Q CA -0.804 54.988 55.803 -0.018 0.000 0.918 556 Q CB 1.345 30.071 28.738 -0.019 0.000 1.415 556 Q HN 0.348 nan 8.270 nan 0.000 0.409 557 c N 2.576 121.161 118.600 -0.024 0.000 2.514 557 c HA 0.568 5.136 4.570 -0.003 0.000 0.392 557 c C 1.632 175.676 174.090 -0.076 0.000 1.294 557 c CA 0.134 56.448 56.329 -0.024 0.000 1.957 557 c CB 0.077 42.588 42.510 0.001 0.000 2.541 557 c HN 0.936 nan 8.230 nan 0.000 0.569 558 A N 1.536 124.286 122.820 -0.115 0.000 2.206 558 A HA 0.067 4.385 4.320 -0.003 0.000 0.211 558 A C 1.040 178.292 177.584 -0.552 0.000 1.158 558 A CA 1.234 53.098 52.037 -0.289 0.000 0.761 558 A CB -0.319 18.499 19.000 -0.303 0.000 0.801 558 A HN 1.046 nan 8.150 nan 0.000 0.473 559 H N -3.023 115.935 119.070 -0.187 0.000 5.214 559 H HA 0.591 5.146 4.556 -0.003 0.000 0.090 559 H C -0.665 174.318 175.328 -0.574 0.000 1.307 559 H CA -0.297 55.497 56.048 -0.424 0.000 0.450 559 H CB 0.522 30.109 29.762 -0.292 0.000 1.651 559 H HN 0.280 nan 8.280 nan 0.000 0.136 560 F N 0.142 120.200 119.950 0.179 0.000 2.598 560 F HA 0.537 5.062 4.527 -0.003 0.000 0.327 560 F C -0.017 175.819 175.800 0.061 0.000 1.057 560 F CA -0.999 57.055 58.000 0.090 0.000 0.957 560 F CB 1.790 40.838 39.000 0.080 0.000 1.278 560 F HN 0.057 nan 8.300 nan 0.000 0.484 561 R N 0.851 121.495 120.500 0.240 0.000 2.744 561 R HA 0.451 4.790 4.340 -0.003 0.000 0.279 561 R C -2.201 174.137 176.300 0.063 0.000 0.977 561 R CA -0.525 55.640 56.100 0.108 0.000 0.906 561 R CB 2.036 32.359 30.300 0.038 0.000 1.197 561 R HN 0.756 nan 8.270 nan 0.000 0.463 562 D N 2.010 122.425 120.400 0.026 0.000 2.330 562 D HA 0.382 5.020 4.640 -0.003 0.000 0.249 562 D C 0.217 176.386 176.300 -0.219 0.000 1.306 562 D CA 1.090 55.075 54.000 -0.025 0.000 0.956 562 D CB 1.278 42.174 40.800 0.160 0.000 1.261 562 D HN 0.915 nan 8.370 nan 0.000 0.544 563 G N 3.788 112.217 108.800 -0.618 0.000 2.527 563 G HA2 -0.278 3.680 3.960 -0.003 0.000 0.268 563 G HA3 -0.278 3.680 3.960 -0.003 0.000 0.268 563 G C -1.522 173.155 174.900 -0.371 0.000 1.175 563 G CA -0.146 44.451 45.100 -0.838 0.000 0.962 563 G HN 0.443 nan 8.290 nan 0.000 0.560 564 P HA 0.146 nan 4.420 nan 0.000 0.234 564 P C 0.327 177.385 177.300 -0.405 0.000 1.167 564 P CA 1.107 63.977 63.100 -0.383 0.000 0.763 564 P CB -0.133 31.294 31.700 -0.454 0.000 0.835 565 H N -1.763 117.269 119.070 -0.064 0.000 2.457 565 H HA 0.339 4.893 4.556 -0.003 0.000 0.335 565 H C -0.199 175.089 175.328 -0.066 0.000 1.115 565 H CA -0.897 55.107 56.048 -0.074 0.000 1.219 565 H CB 0.643 30.377 29.762 -0.046 0.000 1.471 565 H HN -0.082 nan 8.280 nan 0.000 0.491 566 c N 4.172 122.782 118.600 0.018 0.000 2.394 566 c HA 0.462 5.030 4.570 -0.003 0.000 0.362 566 c C 0.164 174.270 174.090 0.027 0.000 1.268 566 c CA -0.627 55.709 56.329 0.011 0.000 1.828 566 c CB -1.213 41.278 42.510 -0.032 0.000 2.442 566 c HN 0.494 nan 8.230 nan 0.000 0.549 567 V N 3.527 123.514 119.914 0.122 0.000 3.040 567 V HA 0.604 4.722 4.120 -0.003 0.000 0.312 567 V C 0.462 176.677 176.094 0.202 0.000 1.115 567 V CA -0.496 61.893 62.300 0.149 0.000 0.998 567 V CB 1.842 33.757 31.823 0.153 0.000 1.042 567 V HN 0.900 nan 8.190 nan 0.000 0.433 568 S N 0.526 116.313 115.700 0.145 0.000 2.349 568 S HA 0.082 4.551 4.470 -0.003 0.000 0.167 568 S C 1.176 175.895 174.600 0.198 0.000 1.027 568 S CA 0.716 58.939 58.200 0.038 0.000 1.284 568 S CB -0.432 62.710 63.200 -0.097 0.000 0.774 568 S HN 0.854 nan 8.310 nan 0.000 0.448 569 S N 1.831 117.611 115.700 0.133 0.000 2.575 569 S HA 0.148 4.617 4.470 -0.003 0.000 0.295 569 S C 0.642 175.368 174.600 0.211 0.000 1.267 569 S CA -0.545 57.756 58.200 0.169 0.000 1.074 569 S CB -1.401 61.880 63.200 0.135 0.000 0.829 569 S HN 0.676 nan 8.310 nan 0.000 0.497 570 C N 6.762 126.145 119.300 0.138 0.000 2.679 570 C HA 0.332 4.790 4.460 -0.003 0.000 0.417 570 C C -1.842 173.236 174.990 0.146 0.000 1.302 570 C CA -1.817 57.233 59.018 0.054 0.000 1.973 570 C CB -0.791 26.850 27.740 -0.165 0.000 2.715 570 C HN 0.669 nan 8.230 nan 0.000 0.628 571 P HA -0.002 nan 4.420 nan 0.000 0.254 571 P C 0.246 177.524 177.300 -0.036 0.000 1.467 571 P CA 0.708 63.822 63.100 0.024 0.000 1.281 571 P CB -0.590 31.115 31.700 0.008 0.000 1.754 572 H N 1.802 120.861 119.070 -0.018 0.000 3.563 572 H HA 0.371 4.926 4.556 -0.003 0.000 0.219 572 H C 0.594 175.904 175.328 -0.030 0.000 1.771 572 H CA -0.238 55.793 56.048 -0.029 0.000 1.458 572 H CB -1.050 28.703 29.762 -0.016 0.000 1.796 572 H HN 0.517 nan 8.280 nan 0.000 0.652 573 G N 0.911 109.640 108.800 -0.117 0.000 3.353 573 G HA2 -0.159 3.799 3.960 -0.003 0.000 0.682 573 G HA3 -0.159 3.799 3.960 -0.003 0.000 0.682 573 G C -0.402 174.386 174.900 -0.186 0.000 1.192 573 G CA -0.512 44.507 45.100 -0.135 0.000 1.111 573 G HN 0.413 nan 8.290 nan 0.000 0.493 574 V N 3.221 123.017 119.914 -0.196 0.000 2.106 574 V HA 0.144 4.263 4.120 -0.003 0.000 0.235 574 V C 1.290 177.272 176.094 -0.186 0.000 1.454 574 V CA 0.148 62.272 62.300 -0.293 0.000 1.458 574 V CB -0.655 30.981 31.823 -0.311 0.000 1.506 574 V HN 0.540 nan 8.190 nan 0.000 0.498 575 L N 3.982 125.135 121.223 -0.118 0.000 2.617 575 L HA 0.565 4.903 4.340 -0.003 0.000 0.282 575 L C 1.075 177.961 176.870 0.027 0.000 1.174 575 L CA 0.846 55.662 54.840 -0.041 0.000 1.016 575 L CB -0.756 41.286 42.059 -0.028 0.000 1.337 575 L HN 0.615 nan 8.230 nan 0.000 0.460 576 G N 0.571 109.375 108.800 0.006 0.000 2.818 576 G HA2 0.398 4.356 3.960 -0.003 0.000 0.109 576 G HA3 0.398 4.356 3.960 -0.003 0.000 0.109 576 G C 0.568 175.468 174.900 -0.001 0.000 1.206 576 G CA 0.191 45.320 45.100 0.048 0.000 1.243 576 G HN 0.383 nan 8.290 nan 0.000 0.609 577 A N -0.122 122.701 122.820 0.004 0.000 1.883 577 A HA -0.139 4.179 4.320 -0.003 0.000 0.232 577 A C 1.288 178.836 177.584 -0.060 0.000 1.671 577 A CA 2.888 54.906 52.037 -0.032 0.000 0.748 577 A CB -0.597 18.386 19.000 -0.029 0.000 0.850 577 A HN 0.786 nan 8.150 nan 0.000 0.488 578 K N -1.770 118.596 120.400 -0.055 0.000 2.761 578 K HA 0.444 4.762 4.320 -0.003 0.000 0.257 578 K C -0.586 175.984 176.600 -0.049 0.000 1.053 578 K CA 0.390 56.643 56.287 -0.057 0.000 1.035 578 K CB 0.366 32.831 32.500 -0.059 0.000 1.267 578 K HN 1.787 nan 8.250 nan 0.000 0.505 579 G N 4.742 113.516 108.800 -0.043 0.000 3.153 579 G HA2 -0.159 3.799 3.960 -0.003 0.000 0.686 579 G HA3 -0.159 3.799 3.960 -0.003 0.000 0.686 579 G C -2.397 172.472 174.900 -0.051 0.000 0.995 579 G CA -0.898 44.179 45.100 -0.038 0.000 0.783 579 G HN 0.398 nan 8.290 nan 0.000 0.551 580 P HA 0.000 nan 4.420 nan 0.000 0.216 580 P CA 0.000 63.060 63.100 -0.067 0.000 0.800 580 P CB 0.000 31.669 31.700 -0.051 0.000 0.726