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 1yy9_1_A DATA FIRST_RESID 2 DATA SEQUENCE EEKKVcQGTS NKLTQLGTFE DHFLSLQRMF NNcEVVLGNL EITYVQRNYD DATA SEQUENCE LSFLKTIQEV AGYVLIALNT VERIPLENLQ IIRGNMYYEN SYALAVLSNY DATA SEQUENCE DANKTGLKEL PMRNLQEILH GAVRFSNNPA LcNVESIQWR DIVSSDFLSN DATA SEQUENCE MSMDFQNHLG ScQKcDPScP NGScWGAGEE NcQKLTKIIc AQQcSGRcRG DATA SEQUENCE KSPSDccHNQ cAAGcTGPRE SDcLVcRKFR DEATcKDTcP PLMLYNPTTY DATA SEQUENCE QMDVNPEGKY SFGATcVKKc PRNYVVTDHG ScVRAcGADS YEMEEDGVRK DATA SEQUENCE cKKcEGPcRK VcNGIGIGEF KDSLSINATN IKHFKNcTSI SGDLHILPVA DATA SEQUENCE FRGDSFTHTP PLDPQELDIL KTVKEITGFL LIQAWPENRT DLHAFENLEI DATA SEQUENCE IRGRTKQHGQ FSLAVVSLNI TSLGLRSLKE ISDGDVIISG NKNLcYANTI DATA SEQUENCE NWKKLFGTSG QKTKIISNRG ENKcKATGQV cHALcSPEGc WGPEPRDcVS DATA SEQUENCE cRNVSRGREc VDKcKLLEGE PREFVENSEc IQcHPEcLPQ AMNITcTGRG DATA SEQUENCE PDNcIQcAHY IDGPHcVKTc PAGVMGENNT LVWKYADAGH VcHLcHPNcT DATA SEQUENCE YGcTGPGLRG cPT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.615 176.600 0.024 0.000 1.382 2 E CA 0.000 56.412 56.400 0.021 0.000 0.976 2 E CB 0.000 29.712 29.700 0.020 0.000 0.812 3 E N -0.167 120.052 120.200 0.030 0.000 2.712 3 E HA 0.662 5.014 4.350 0.004 0.000 0.372 3 E C 0.089 176.719 176.600 0.049 0.000 1.058 3 E CA 0.195 56.618 56.400 0.038 0.000 0.747 3 E CB -0.151 29.568 29.700 0.032 0.000 1.596 3 E HN 1.931 nan 8.360 nan 0.000 0.380 4 K N 1.665 122.096 120.400 0.053 0.000 2.513 4 K HA 0.158 4.480 4.320 0.004 0.000 0.275 4 K C 0.386 177.029 176.600 0.072 0.000 1.025 4 K CA 0.659 56.980 56.287 0.056 0.000 1.125 4 K CB -0.265 32.265 32.500 0.050 0.000 0.843 4 K HN 0.469 nan 8.250 nan 0.000 0.486 5 K N 1.114 121.553 120.400 0.066 0.000 2.412 5 K HA 0.332 4.654 4.320 0.004 0.000 0.281 5 K C -0.566 176.086 176.600 0.087 0.000 1.027 5 K CA -0.028 56.304 56.287 0.075 0.000 0.989 5 K CB 1.118 33.656 32.500 0.064 0.000 0.935 5 K HN 0.437 nan 8.250 nan 0.000 0.475 6 V N 4.660 124.638 119.914 0.107 0.000 2.409 6 V HA 0.346 4.468 4.120 0.004 0.000 0.291 6 V C -0.125 176.031 176.094 0.102 0.000 1.020 6 V CA -1.018 61.350 62.300 0.114 0.000 0.848 6 V CB 0.853 32.789 31.823 0.188 0.000 0.990 6 V HN 1.023 nan 8.190 nan 0.000 0.430 7 c N 3.072 121.720 118.600 0.079 0.000 2.531 7 c HA 0.661 5.233 4.570 0.004 0.000 0.369 7 c C 1.403 175.506 174.090 0.021 0.000 1.258 7 c CA -0.457 55.891 56.329 0.032 0.000 1.876 7 c CB 1.765 44.266 42.510 -0.014 0.000 2.256 7 c HN 0.745 nan 8.230 nan 0.000 0.510 8 Q N 1.070 120.846 119.800 -0.040 0.000 2.083 8 Q HA 0.389 4.731 4.340 0.004 0.000 0.198 8 Q C 1.045 177.029 176.000 -0.026 0.000 0.969 8 Q CA 2.293 58.080 55.803 -0.026 0.000 0.838 8 Q CB -0.699 28.003 28.738 -0.059 0.000 0.900 8 Q HN 1.886 nan 8.270 nan 0.000 0.436 9 G N -1.665 107.101 108.800 -0.057 0.000 2.631 9 G HA2 -0.081 3.881 3.960 0.004 0.000 0.504 9 G HA3 -0.081 3.881 3.960 0.004 0.000 0.504 9 G C -0.770 174.118 174.900 -0.021 0.000 1.306 9 G CA -0.378 44.751 45.100 0.049 0.000 0.897 9 G HN 0.310 nan 8.290 nan 0.000 0.520 10 T N -0.145 114.445 114.554 0.061 0.000 2.923 10 T HA 0.693 5.046 4.350 0.004 0.000 0.311 10 T C 0.152 174.880 174.700 0.046 0.000 1.183 10 T CA 0.332 62.461 62.100 0.048 0.000 1.020 10 T CB 1.610 70.547 68.868 0.115 0.000 1.165 10 T HN 1.755 nan 8.240 nan 0.000 0.482 11 S N 1.666 117.406 115.700 0.068 0.000 2.327 11 S HA 0.234 4.706 4.470 0.004 0.000 0.203 11 S C 0.364 175.063 174.600 0.165 0.000 1.326 11 S CA -0.817 57.462 58.200 0.132 0.000 1.248 11 S CB -0.194 63.073 63.200 0.113 0.000 1.199 11 S HN 0.574 nan 8.310 nan 0.000 0.422 12 N N 2.228 121.034 118.700 0.177 0.000 2.336 12 N HA 0.134 4.876 4.740 0.004 0.000 0.189 12 N C 0.660 176.309 175.510 0.231 0.000 1.113 12 N CA 0.032 53.190 53.050 0.179 0.000 0.858 12 N CB -0.133 38.452 38.487 0.162 0.000 0.970 12 N HN 0.556 nan 8.380 nan 0.000 0.471 13 K N -0.054 120.522 120.400 0.293 0.000 1.721 13 K HA -0.241 4.081 4.320 0.004 0.000 0.121 13 K C 0.734 177.506 176.600 0.287 0.000 1.152 13 K CA 1.642 58.131 56.287 0.337 0.000 0.360 13 K CB -1.143 31.548 32.500 0.318 0.000 0.626 13 K HN 0.020 nan 8.250 nan 0.000 0.878 14 L N 1.807 123.190 121.223 0.267 0.000 2.612 14 L HA 0.054 4.396 4.340 0.004 0.000 0.230 14 L C 0.429 177.515 176.870 0.360 0.000 1.140 14 L CA 0.069 55.067 54.840 0.264 0.000 0.896 14 L CB -0.407 41.767 42.059 0.192 0.000 1.065 14 L HN 0.430 nan 8.230 nan 0.000 0.447 15 T N 0.412 115.135 114.554 0.282 0.000 2.926 15 T HA 0.048 4.400 4.350 0.004 0.000 0.307 15 T C 0.109 174.954 174.700 0.241 0.000 1.059 15 T CA 0.006 62.232 62.100 0.210 0.000 1.122 15 T CB 1.527 70.485 68.868 0.151 0.000 0.972 15 T HN 0.153 nan 8.240 nan 0.000 0.545 16 Q N 2.140 121.953 119.800 0.022 0.000 2.339 16 Q HA 0.331 4.673 4.340 0.004 0.000 0.268 16 Q C -0.988 175.054 176.000 0.070 0.000 1.027 16 Q CA -0.617 55.115 55.803 -0.118 0.000 0.759 16 Q CB 0.590 28.831 28.738 -0.828 0.000 1.244 16 Q HN 0.634 nan 8.270 nan 0.000 0.464 17 L N 5.033 126.477 121.223 0.368 0.000 2.382 17 L HA 0.321 4.663 4.340 0.004 0.000 0.259 17 L C 0.985 177.912 176.870 0.095 0.000 1.291 17 L CA 0.336 55.266 54.840 0.150 0.000 1.176 17 L CB -1.061 41.027 42.059 0.048 0.000 1.373 17 L HN 1.023 nan 8.230 nan 0.000 0.426 18 G N 1.962 110.765 108.800 0.004 0.000 2.498 18 G HA2 -0.254 3.709 3.960 0.004 0.000 0.245 18 G HA3 -0.254 3.709 3.960 0.004 0.000 0.245 18 G C 0.004 174.848 174.900 -0.093 0.000 1.204 18 G CA -0.270 44.807 45.100 -0.038 0.000 0.933 18 G HN 0.384 nan 8.290 nan 0.000 0.574 19 T N 1.276 115.790 114.554 -0.066 0.000 2.900 19 T HA 0.394 4.747 4.350 0.004 0.000 0.307 19 T C 1.553 176.253 174.700 0.000 0.000 1.065 19 T CA 0.607 62.639 62.100 -0.114 0.000 1.105 19 T CB 0.534 69.391 68.868 -0.018 0.000 0.979 19 T HN 0.393 nan 8.240 nan 0.000 0.544 20 F N 0.542 120.482 119.950 -0.016 0.000 2.085 20 F HA -0.262 4.267 4.527 0.004 0.000 0.299 20 F C 2.635 178.455 175.800 0.034 0.000 1.096 20 F CA 1.561 59.544 58.000 -0.029 0.000 1.227 20 F CB -0.259 38.707 39.000 -0.057 0.000 0.983 20 F HN 0.640 nan 8.300 nan 0.000 0.482 21 E N 1.091 121.467 120.200 0.294 0.000 2.021 21 E HA -0.257 4.095 4.350 0.004 0.000 0.200 21 E C 1.682 178.451 176.600 0.281 0.000 1.015 21 E CA 2.210 58.792 56.400 0.302 0.000 0.824 21 E CB -0.449 29.405 29.700 0.257 0.000 0.762 21 E HN 0.246 nan 8.360 nan 0.000 0.454 22 D N -0.513 120.001 120.400 0.191 0.000 2.133 22 D HA -0.216 4.427 4.640 0.004 0.000 0.195 22 D C 1.899 178.301 176.300 0.169 0.000 0.997 22 D CA 1.466 55.553 54.000 0.146 0.000 0.840 22 D CB -0.598 40.251 40.800 0.083 0.000 0.947 22 D HN 0.395 nan 8.370 nan 0.000 0.452 23 H N -0.440 118.701 119.070 0.117 0.000 2.267 23 H HA -0.175 4.384 4.556 0.004 0.000 0.297 23 H C 2.206 177.633 175.328 0.164 0.000 1.080 23 H CA 1.580 57.705 56.048 0.128 0.000 1.278 23 H CB -0.502 29.357 29.762 0.161 0.000 1.365 23 H HN 0.162 nan 8.280 nan 0.000 0.489 24 F N 1.353 121.413 119.950 0.183 0.000 2.126 24 F HA -0.197 4.332 4.527 0.004 0.000 0.299 24 F C 2.479 178.337 175.800 0.096 0.000 1.096 24 F CA 1.119 59.194 58.000 0.126 0.000 1.255 24 F CB -0.633 38.371 39.000 0.006 0.000 0.997 24 F HN 0.058 nan 8.300 nan 0.000 0.479 25 L N 0.096 121.384 121.223 0.108 0.000 2.079 25 L HA -0.260 4.083 4.340 0.004 0.000 0.210 25 L C 2.740 179.496 176.870 -0.190 0.000 1.081 25 L CA 1.743 56.550 54.840 -0.054 0.000 0.752 25 L CB -0.956 41.156 42.059 0.088 0.000 0.896 25 L HN 0.398 nan 8.230 nan 0.000 0.433 26 S N -0.667 114.949 115.700 -0.140 0.000 2.446 26 S HA -0.100 4.372 4.470 0.004 0.000 0.225 26 S C 1.899 176.374 174.600 -0.209 0.000 1.016 26 S CA 0.283 58.380 58.200 -0.172 0.000 0.943 26 S CB -0.381 62.734 63.200 -0.141 0.000 0.786 26 S HN 0.289 nan 8.310 nan 0.000 0.508 27 L N 1.620 122.740 121.223 -0.172 0.000 1.989 27 L HA -0.115 4.228 4.340 0.004 0.000 0.211 27 L C 2.966 179.759 176.870 -0.127 0.000 1.071 27 L CA 2.196 57.025 54.840 -0.019 0.000 0.749 27 L CB -0.665 41.464 42.059 0.115 0.000 0.890 27 L HN 0.402 nan 8.230 nan 0.000 0.431 28 Q N -0.685 118.805 119.800 -0.516 0.000 2.096 28 Q HA -0.300 4.042 4.340 0.004 0.000 0.204 28 Q C 2.464 178.097 176.000 -0.611 0.000 0.982 28 Q CA 1.989 57.203 55.803 -0.981 0.000 0.850 28 Q CB -0.159 27.916 28.738 -1.105 0.000 0.901 28 Q HN 0.431 nan 8.270 nan 0.000 0.422 29 R N -0.377 119.882 120.500 -0.401 0.000 2.091 29 R HA -0.204 4.139 4.340 0.004 0.000 0.238 29 R C 2.286 178.409 176.300 -0.294 0.000 1.136 29 R CA 1.776 57.702 56.100 -0.290 0.000 0.959 29 R CB -0.175 29.997 30.300 -0.213 0.000 0.856 29 R HN 0.288 nan 8.270 nan 0.000 0.437 30 M N -0.392 118.988 119.600 -0.367 0.000 2.077 30 M HA -0.074 4.409 4.480 0.004 0.000 0.261 30 M C 1.285 177.246 176.300 -0.565 0.000 1.070 30 M CA 1.827 56.799 55.300 -0.546 0.000 1.125 30 M CB -0.248 31.850 32.600 -0.837 0.000 1.339 30 M HN 0.132 nan 8.290 nan 0.000 0.409 31 F N -0.493 119.409 119.950 -0.081 0.000 2.743 31 F HA 0.197 4.726 4.527 0.003 0.000 0.297 31 F C 0.675 176.486 175.800 0.018 0.000 1.131 31 F CA -0.474 57.545 58.000 0.031 0.000 1.426 31 F CB -0.883 38.244 39.000 0.210 0.000 1.116 31 F HN 0.154 nan 8.300 nan 0.000 0.583 32 N N 1.912 120.555 118.700 -0.096 0.000 2.217 32 N HA -0.177 4.565 4.740 0.004 0.000 0.268 32 N C 0.512 176.053 175.510 0.052 0.000 1.290 32 N CA 0.759 53.749 53.050 -0.100 0.000 0.831 32 N CB -0.092 38.269 38.487 -0.211 0.000 1.057 32 N HN 0.159 nan 8.380 nan 0.000 0.481 33 N N 0.075 118.851 118.700 0.127 0.000 2.936 33 N HA -0.244 4.499 4.740 0.004 0.000 0.236 33 N C -0.373 175.202 175.510 0.110 0.000 0.930 33 N CA 0.940 54.050 53.050 0.101 0.000 0.966 33 N CB -1.900 36.618 38.487 0.053 0.000 1.090 33 N HN 0.599 nan 8.380 nan 0.000 0.592 34 c N 1.687 120.381 118.600 0.156 0.000 2.593 34 c HA 0.202 4.775 4.570 0.004 0.000 0.409 34 c C 1.780 175.947 174.090 0.128 0.000 1.304 34 c CA -0.060 56.361 56.329 0.154 0.000 2.007 34 c CB 0.106 42.763 42.510 0.244 0.000 2.614 34 c HN 0.314 nan 8.230 nan 0.000 0.585 35 E N 2.664 122.919 120.200 0.093 0.000 2.256 35 E HA 0.138 4.490 4.350 0.004 0.000 0.198 35 E C -0.325 176.304 176.600 0.048 0.000 0.908 35 E CA 0.505 56.943 56.400 0.062 0.000 0.915 35 E CB 0.407 30.137 29.700 0.050 0.000 0.890 35 E HN 0.551 nan 8.360 nan 0.000 0.484 36 V N 2.559 122.505 119.914 0.053 0.000 2.444 36 V HA 0.214 4.336 4.120 0.004 0.000 0.294 36 V C -0.374 175.746 176.094 0.044 0.000 1.022 36 V CA -0.720 61.596 62.300 0.027 0.000 0.850 36 V CB 2.071 33.895 31.823 0.001 0.000 0.992 36 V HN -0.078 nan 8.190 nan 0.000 0.426 37 V N 6.557 126.497 119.914 0.042 0.000 2.318 37 V HA 0.248 4.371 4.120 0.004 0.000 0.271 37 V C 1.230 177.323 176.094 -0.001 0.000 1.030 37 V CA -0.190 62.154 62.300 0.073 0.000 0.844 37 V CB 1.108 33.009 31.823 0.130 0.000 1.015 37 V HN 0.781 nan 8.190 nan 0.000 0.460 38 L N 3.516 124.723 121.223 -0.026 0.000 2.079 38 L HA -0.052 4.290 4.340 0.004 0.000 0.210 38 L C 1.809 178.641 176.870 -0.063 0.000 1.081 38 L CA 1.873 56.667 54.840 -0.077 0.000 0.752 38 L CB -0.422 41.591 42.059 -0.076 0.000 0.896 38 L HN 0.781 nan 8.230 nan 0.000 0.433 39 G N -0.992 107.785 108.800 -0.039 0.000 3.075 39 G HA2 0.202 4.164 3.960 0.004 0.000 0.156 39 G HA3 0.202 4.164 3.960 0.004 0.000 0.156 39 G C -0.198 174.627 174.900 -0.124 0.000 1.403 39 G CA -0.575 44.481 45.100 -0.072 0.000 1.033 39 G HN 0.057 nan 8.290 nan 0.000 0.589 40 N N -0.326 118.246 118.700 -0.212 0.000 2.495 40 N HA 0.382 5.124 4.740 0.004 0.000 0.280 40 N C -1.171 174.285 175.510 -0.092 0.000 1.168 40 N CA -0.445 52.382 53.050 -0.372 0.000 0.978 40 N CB 2.306 40.213 38.487 -0.966 0.000 1.191 40 N HN 0.243 nan 8.380 nan 0.000 0.497 41 L N 0.766 121.921 121.223 -0.114 0.000 2.272 41 L HA 0.347 4.689 4.340 0.004 0.000 0.289 41 L C -0.472 176.363 176.870 -0.059 0.000 1.032 41 L CA -0.049 54.710 54.840 -0.134 0.000 0.810 41 L CB 0.466 42.367 42.059 -0.265 0.000 1.205 41 L HN 0.447 nan 8.230 nan 0.000 0.422 42 E N 6.039 126.254 120.200 0.025 0.000 2.185 42 E HA 0.450 4.803 4.350 0.004 0.000 0.261 42 E C -1.197 175.449 176.600 0.075 0.000 0.879 42 E CA -0.283 56.178 56.400 0.102 0.000 0.756 42 E CB 1.837 31.664 29.700 0.212 0.000 1.152 42 E HN 0.545 nan 8.360 nan 0.000 0.416 43 I N 2.528 123.106 120.570 0.014 0.000 2.355 43 I HA 0.336 4.508 4.170 0.004 0.000 0.288 43 I C -0.287 175.856 176.117 0.043 0.000 0.999 43 I CA -0.167 61.154 61.300 0.035 0.000 1.163 43 I CB 1.912 39.883 38.000 -0.048 0.000 1.316 43 I HN 0.316 nan 8.210 nan 0.000 0.454 44 T N 4.051 118.697 114.554 0.154 0.000 2.993 44 T HA 0.345 4.697 4.350 0.004 0.000 0.312 44 T C -0.351 174.430 174.700 0.135 0.000 1.115 44 T CA -0.236 61.919 62.100 0.092 0.000 1.027 44 T CB 0.706 69.732 68.868 0.262 0.000 1.116 44 T HN 0.558 nan 8.240 nan 0.000 0.464 45 Y N 0.185 120.427 120.300 -0.096 0.000 4.409 45 Y HA -0.224 4.328 4.550 0.004 0.000 0.228 45 Y C 0.515 176.256 175.900 -0.264 0.000 1.108 45 Y CA -0.070 57.906 58.100 -0.207 0.000 1.955 45 Y CB -1.962 36.329 38.460 -0.282 0.000 1.615 45 Y HN 0.390 nan 8.280 nan 0.000 0.665 46 V N 2.342 122.215 119.914 -0.069 0.000 2.455 46 V HA 0.095 4.217 4.120 0.004 0.000 0.273 46 V C 0.604 176.556 176.094 -0.237 0.000 1.045 46 V CA -0.558 61.664 62.300 -0.130 0.000 0.976 46 V CB 1.198 33.045 31.823 0.041 0.000 0.993 46 V HN 0.102 nan 8.190 nan 0.000 0.475 47 Q N 3.424 123.008 119.800 -0.360 0.000 2.185 47 Q HA 0.432 4.775 4.340 0.004 0.000 0.225 47 Q C 0.166 176.194 176.000 0.046 0.000 0.983 47 Q CA -0.880 54.802 55.803 -0.201 0.000 0.950 47 Q CB 0.636 29.237 28.738 -0.229 0.000 1.176 47 Q HN 0.467 nan 8.270 nan 0.000 0.510 48 R N 2.264 122.782 120.500 0.031 0.000 2.537 48 R HA -0.071 4.271 4.340 0.004 0.000 0.281 48 R C 0.093 176.431 176.300 0.063 0.000 0.988 48 R CA 0.475 56.599 56.100 0.041 0.000 1.077 48 R CB -0.392 29.917 30.300 0.014 0.000 0.932 48 R HN 0.664 nan 8.270 nan 0.000 0.409 49 N N 1.176 119.889 118.700 0.021 0.000 2.829 49 N HA -0.248 4.494 4.740 0.004 0.000 0.250 49 N C -1.158 174.252 175.510 -0.166 0.000 1.090 49 N CA 0.826 53.841 53.050 -0.059 0.000 0.781 49 N CB -1.551 36.876 38.487 -0.100 0.000 1.124 49 N HN 0.500 nan 8.380 nan 0.000 0.559 50 Y N 1.161 121.359 120.300 -0.170 0.000 2.341 50 Y HA 0.222 4.774 4.550 0.003 0.000 0.340 50 Y C 0.794 176.624 175.900 -0.117 0.000 0.997 50 Y CA -0.692 57.222 58.100 -0.311 0.000 1.149 50 Y CB 0.820 38.912 38.460 -0.615 0.000 1.171 50 Y HN -0.103 nan 8.280 nan 0.000 0.494 51 D N 4.462 124.927 120.400 0.109 0.000 2.389 51 D HA 0.019 4.661 4.640 0.004 0.000 0.263 51 D C 0.039 176.577 176.300 0.397 0.000 1.255 51 D CA 0.642 54.770 54.000 0.214 0.000 0.914 51 D CB 0.605 41.532 40.800 0.212 0.000 1.116 51 D HN 0.641 nan 8.370 nan 0.000 0.502 52 L N 3.081 124.415 121.223 0.186 0.000 2.848 52 L HA 0.022 4.364 4.340 0.004 0.000 0.240 52 L C 1.824 178.475 176.870 -0.365 0.000 1.232 52 L CA -0.091 54.705 54.840 -0.074 0.000 1.031 52 L CB 0.037 42.041 42.059 -0.092 0.000 1.338 52 L HN 0.335 nan 8.230 nan 0.000 0.509 53 S N -0.674 114.970 115.700 -0.092 0.000 2.453 53 S HA -0.179 4.293 4.470 0.004 0.000 0.231 53 S C 1.794 176.351 174.600 -0.073 0.000 1.005 53 S CA 0.371 58.528 58.200 -0.072 0.000 0.949 53 S CB -0.563 62.662 63.200 0.041 0.000 0.774 53 S HN 0.550 nan 8.310 nan 0.000 0.510 54 F N 1.995 121.991 119.950 0.077 0.000 2.236 54 F HA 0.066 4.595 4.527 0.003 0.000 0.302 54 F C 1.654 177.479 175.800 0.043 0.000 1.073 54 F CA 0.464 58.499 58.000 0.059 0.000 1.336 54 F CB -1.042 37.995 39.000 0.062 0.000 1.040 54 F HN 0.100 nan 8.300 nan 0.000 0.507 55 L N 0.344 121.287 121.223 -0.467 0.000 2.450 55 L HA -0.132 4.210 4.340 0.004 0.000 0.224 55 L C 2.230 179.021 176.870 -0.132 0.000 1.149 55 L CA 1.081 55.746 54.840 -0.292 0.000 0.816 55 L CB -0.745 41.057 42.059 -0.429 0.000 0.932 55 L HN 0.203 nan 8.230 nan 0.000 0.449 56 K N -0.290 120.058 120.400 -0.086 0.000 2.362 56 K HA -0.109 4.214 4.320 0.004 0.000 0.200 56 K C 1.977 178.567 176.600 -0.016 0.000 1.046 56 K CA 1.573 57.830 56.287 -0.050 0.000 0.952 56 K CB -0.062 32.421 32.500 -0.027 0.000 0.753 56 K HN 0.442 nan 8.250 nan 0.000 0.466 57 T N -1.137 113.430 114.554 0.022 0.000 3.067 57 T HA 0.089 4.441 4.350 0.004 0.000 0.261 57 T C 0.848 175.565 174.700 0.028 0.000 1.110 57 T CA 0.102 62.227 62.100 0.042 0.000 1.113 57 T CB -0.181 68.739 68.868 0.087 0.000 0.917 57 T HN -0.008 nan 8.240 nan 0.000 0.499 58 I N 2.427 123.000 120.570 0.006 0.000 2.406 58 I HA 0.108 4.280 4.170 0.004 0.000 0.293 58 I C 1.381 177.482 176.117 -0.026 0.000 1.101 58 I CA -0.095 61.202 61.300 -0.004 0.000 1.334 58 I CB 0.921 38.894 38.000 -0.045 0.000 1.421 58 I HN 0.205 nan 8.210 nan 0.000 0.513 59 Q N 4.283 124.077 119.800 -0.010 0.000 2.204 59 Q HA 0.115 4.457 4.340 0.004 0.000 0.198 59 Q C -0.198 175.787 176.000 -0.025 0.000 0.946 59 Q CA 0.861 56.652 55.803 -0.020 0.000 0.859 59 Q CB 0.468 29.201 28.738 -0.007 0.000 0.946 59 Q HN 0.630 nan 8.270 nan 0.000 0.474 60 E N -0.263 119.927 120.200 -0.017 0.000 2.331 60 E HA 0.447 4.799 4.350 0.004 0.000 0.275 60 E C -1.677 174.911 176.600 -0.020 0.000 0.895 60 E CA -0.511 55.877 56.400 -0.021 0.000 0.753 60 E CB 3.028 32.715 29.700 -0.022 0.000 1.216 60 E HN -0.178 nan 8.360 nan 0.000 0.434 61 V N 1.940 121.840 119.914 -0.022 0.000 2.487 61 V HA 0.366 4.489 4.120 0.004 0.000 0.298 61 V C 0.547 176.625 176.094 -0.027 0.000 1.028 61 V CA -0.228 62.058 62.300 -0.024 0.000 0.860 61 V CB 1.398 33.205 31.823 -0.027 0.000 0.991 61 V HN 0.959 nan 8.190 nan 0.000 0.427 62 A N 3.909 126.701 122.820 -0.045 0.000 1.874 62 A HA 0.312 4.634 4.320 0.004 0.000 0.214 62 A C 1.663 179.219 177.584 -0.047 0.000 1.189 62 A CA 1.330 53.333 52.037 -0.057 0.000 0.615 62 A CB -0.659 18.290 19.000 -0.085 0.000 0.830 62 A HN 0.946 nan 8.150 nan 0.000 0.443 63 G N -1.058 107.698 108.800 -0.074 0.000 3.022 63 G HA2 0.384 4.346 3.960 0.004 0.000 0.157 63 G HA3 0.384 4.346 3.960 0.004 0.000 0.157 63 G C 0.256 175.168 174.900 0.021 0.000 1.691 63 G CA 0.338 45.386 45.100 -0.087 0.000 1.079 63 G HN 0.661 nan 8.290 nan 0.000 0.549 64 Y N -2.086 118.256 120.300 0.069 0.000 2.568 64 Y HA 0.730 5.282 4.550 0.004 0.000 0.327 64 Y C -0.533 175.398 175.900 0.052 0.000 1.163 64 Y CA -1.904 56.253 58.100 0.095 0.000 1.219 64 Y CB 1.210 39.770 38.460 0.168 0.000 1.308 64 Y HN 0.216 nan 8.280 nan 0.000 0.503 65 V N 3.285 123.395 119.914 0.327 0.000 2.384 65 V HA 0.372 4.494 4.120 0.004 0.000 0.287 65 V C -0.951 175.248 176.094 0.175 0.000 1.020 65 V CA -0.593 61.810 62.300 0.172 0.000 0.850 65 V CB 1.075 32.929 31.823 0.052 0.000 0.987 65 V HN 0.733 nan 8.190 nan 0.000 0.436 66 L N 7.346 128.660 121.223 0.153 0.000 2.322 66 L HA 0.725 5.067 4.340 0.004 0.000 0.281 66 L C -0.773 176.021 176.870 -0.127 0.000 1.014 66 L CA 0.063 54.852 54.840 -0.085 0.000 0.815 66 L CB 1.466 43.477 42.059 -0.079 0.000 1.247 66 L HN 0.574 nan 8.230 nan 0.000 0.421 67 I N 5.655 126.092 120.570 -0.222 0.000 2.476 67 I HA 0.752 4.924 4.170 0.004 0.000 0.281 67 I C -0.559 175.414 176.117 -0.240 0.000 1.040 67 I CA -0.240 60.947 61.300 -0.188 0.000 1.094 67 I CB 1.503 39.404 38.000 -0.165 0.000 1.219 67 I HN 0.815 nan 8.210 nan 0.000 0.450 68 A N 5.484 128.169 122.820 -0.226 0.000 2.549 68 A HA 0.810 5.133 4.320 0.004 0.000 0.297 68 A C 0.155 177.534 177.584 -0.342 0.000 1.061 68 A CA -0.483 51.391 52.037 -0.271 0.000 0.690 68 A CB 1.363 20.184 19.000 -0.299 0.000 1.287 68 A HN 0.733 nan 8.150 nan 0.000 0.402 69 L N 0.117 121.138 121.223 -0.337 0.000 4.232 69 L HA -0.225 4.118 4.340 0.004 0.000 0.415 69 L C 0.097 176.740 176.870 -0.378 0.000 1.168 69 L CA 0.266 54.837 54.840 -0.448 0.000 0.966 69 L CB -1.772 39.798 42.059 -0.816 0.000 2.052 69 L HN 0.780 nan 8.230 nan 0.000 0.887 70 N N 0.542 119.098 118.700 -0.239 0.000 2.499 70 N HA 0.287 5.029 4.740 0.004 0.000 0.281 70 N C 1.228 176.667 175.510 -0.118 0.000 1.098 70 N CA 0.583 53.535 53.050 -0.165 0.000 0.979 70 N CB 1.442 39.869 38.487 -0.100 0.000 1.121 70 N HN 0.245 nan 8.380 nan 0.000 0.466 71 T N -2.924 111.554 114.554 -0.126 0.000 3.023 71 T HA 0.055 4.407 4.350 0.004 0.000 0.253 71 T C 0.958 175.636 174.700 -0.036 0.000 1.038 71 T CA -0.262 61.797 62.100 -0.068 0.000 0.962 71 T CB 0.000 68.818 68.868 -0.084 0.000 1.018 71 T HN 0.236 nan 8.240 nan 0.000 0.521 72 V N 2.215 122.104 119.914 -0.042 0.000 2.814 72 V HA 0.027 4.150 4.120 0.004 0.000 0.307 72 V C 1.595 177.694 176.094 0.008 0.000 1.089 72 V CA 0.523 62.820 62.300 -0.005 0.000 1.212 72 V CB 1.011 32.838 31.823 0.007 0.000 0.912 72 V HN 0.559 nan 8.190 nan 0.000 0.497 73 E N 4.031 124.241 120.200 0.017 0.000 2.046 73 E HA -0.066 4.286 4.350 0.004 0.000 0.190 73 E C 1.197 177.812 176.600 0.025 0.000 0.982 73 E CA 0.674 57.087 56.400 0.022 0.000 0.800 73 E CB 0.247 29.959 29.700 0.019 0.000 0.756 73 E HN 0.665 nan 8.360 nan 0.000 0.449 74 R N 0.256 120.767 120.500 0.019 0.000 2.637 74 R HA 0.432 4.774 4.340 0.004 0.000 0.291 74 R C -1.047 175.252 176.300 -0.002 0.000 0.963 74 R CA -0.368 55.740 56.100 0.014 0.000 0.901 74 R CB 1.100 31.405 30.300 0.008 0.000 1.160 74 R HN -0.003 nan 8.270 nan 0.000 0.457 75 I N 6.362 126.927 120.570 -0.008 0.000 2.502 75 I HA 0.281 4.453 4.170 0.004 0.000 0.276 75 I C -1.963 174.115 176.117 -0.065 0.000 1.057 75 I CA -1.996 59.277 61.300 -0.045 0.000 1.163 75 I CB 2.061 40.038 38.000 -0.038 0.000 1.288 75 I HN 0.430 nan 8.210 nan 0.000 0.479 76 P HA 0.127 nan 4.420 nan 0.000 0.226 76 P C 0.093 177.319 177.300 -0.123 0.000 1.783 76 P CA -0.055 62.991 63.100 -0.091 0.000 0.980 76 P CB 0.028 31.678 31.700 -0.083 0.000 1.967 77 L N 1.394 122.538 121.223 -0.132 0.000 2.511 77 L HA 0.094 4.436 4.340 0.004 0.000 0.239 77 L C 1.531 178.299 176.870 -0.170 0.000 1.400 77 L CA 0.130 54.879 54.840 -0.152 0.000 1.226 77 L CB -0.577 41.390 42.059 -0.153 0.000 1.475 77 L HN 0.131 nan 8.230 nan 0.000 0.428 78 E N 0.011 120.127 120.200 -0.140 0.000 2.358 78 E HA -0.053 4.299 4.350 0.004 0.000 0.195 78 E C 0.820 177.337 176.600 -0.138 0.000 1.010 78 E CA 0.458 56.773 56.400 -0.141 0.000 0.856 78 E CB 0.281 29.926 29.700 -0.092 0.000 0.795 78 E HN 0.584 nan 8.360 nan 0.000 0.504 79 N N 0.409 119.039 118.700 -0.116 0.000 2.170 79 N HA 0.028 4.770 4.740 0.004 0.000 0.222 79 N C -0.220 175.235 175.510 -0.092 0.000 1.218 79 N CA -0.166 52.829 53.050 -0.092 0.000 0.889 79 N CB 0.783 39.236 38.487 -0.057 0.000 1.083 79 N HN 0.061 nan 8.380 nan 0.000 0.520 80 L N 3.003 124.156 121.223 -0.117 0.000 2.742 80 L HA -0.041 4.302 4.340 0.004 0.000 0.275 80 L C 1.368 178.179 176.870 -0.098 0.000 1.141 80 L CA 0.719 55.497 54.840 -0.104 0.000 0.987 80 L CB 0.091 42.076 42.059 -0.124 0.000 1.319 80 L HN 0.101 nan 8.230 nan 0.000 0.478 81 Q N 4.910 124.673 119.800 -0.062 0.000 2.250 81 Q HA 0.207 4.550 4.340 0.004 0.000 0.200 81 Q C 0.343 176.329 176.000 -0.023 0.000 0.941 81 Q CA 0.685 56.460 55.803 -0.047 0.000 0.872 81 Q CB 0.740 29.460 28.738 -0.030 0.000 0.965 81 Q HN 0.694 nan 8.270 nan 0.000 0.480 82 I N 0.121 120.681 120.570 -0.016 0.000 2.644 82 I HA 0.339 4.511 4.170 0.004 0.000 0.291 82 I C -1.811 174.311 176.117 0.009 0.000 1.180 82 I CA -0.994 60.307 61.300 0.003 0.000 1.040 82 I CB 1.984 39.981 38.000 -0.005 0.000 1.255 82 I HN -0.054 nan 8.210 nan 0.000 0.422 83 I N 7.670 128.260 120.570 0.033 0.000 2.354 83 I HA 0.414 4.586 4.170 0.004 0.000 0.286 83 I C 0.987 177.135 176.117 0.052 0.000 1.007 83 I CA -0.518 60.810 61.300 0.046 0.000 1.167 83 I CB 1.573 39.621 38.000 0.080 0.000 1.320 83 I HN 0.618 nan 8.210 nan 0.000 0.458 84 R N 4.122 124.646 120.500 0.040 0.000 2.090 84 R HA 0.101 4.443 4.340 0.004 0.000 0.228 84 R C 1.211 177.588 176.300 0.128 0.000 1.110 84 R CA 0.655 56.795 56.100 0.067 0.000 0.973 84 R CB -0.147 30.167 30.300 0.023 0.000 0.869 84 R HN 0.937 nan 8.270 nan 0.000 0.440 85 G N 1.918 110.777 108.800 0.099 0.000 2.289 85 G HA2 -0.215 3.747 3.960 0.004 0.000 0.280 85 G HA3 -0.215 3.747 3.960 0.004 0.000 0.280 85 G C 0.059 174.931 174.900 -0.046 0.000 1.089 85 G CA 0.206 45.382 45.100 0.127 0.000 0.939 85 G HN 0.277 nan 8.290 nan 0.000 0.499 86 N N -0.793 117.857 118.700 -0.082 0.000 2.457 86 N HA 0.116 4.859 4.740 0.004 0.000 0.180 86 N C 1.117 176.488 175.510 -0.231 0.000 1.050 86 N CA 0.988 53.934 53.050 -0.174 0.000 0.906 86 N CB 0.066 38.480 38.487 -0.123 0.000 0.968 86 N HN 0.656 nan 8.380 nan 0.000 0.445 87 M N -0.843 118.662 119.600 -0.159 0.000 2.631 87 M HA 0.335 4.817 4.480 0.004 0.000 0.288 87 M C -1.464 174.877 176.300 0.067 0.000 1.260 87 M CA -0.642 54.583 55.300 -0.125 0.000 0.842 87 M CB 2.542 35.175 32.600 0.056 0.000 1.743 87 M HN -0.140 nan 8.290 nan 0.000 0.461 88 Y N -0.582 119.854 120.300 0.226 0.000 2.509 88 Y HA 0.232 4.784 4.550 0.003 0.000 0.341 88 Y C 0.128 175.983 175.900 -0.076 0.000 1.038 88 Y CA -0.925 57.248 58.100 0.121 0.000 1.089 88 Y CB 1.345 39.809 38.460 0.006 0.000 1.241 88 Y HN 0.689 nan 8.280 nan 0.000 0.468 89 Y N 1.114 121.204 120.300 -0.351 0.000 2.130 89 Y HA 0.044 4.596 4.550 0.004 0.000 0.287 89 Y C 0.187 175.942 175.900 -0.242 0.000 1.124 89 Y CA 1.417 59.040 58.100 -0.794 0.000 1.118 89 Y CB 0.324 38.353 38.460 -0.718 0.000 0.994 89 Y HN 0.615 nan 8.280 nan 0.000 0.497 90 E N -0.615 119.360 120.200 -0.374 0.000 2.408 90 E HA 0.209 4.561 4.350 0.004 0.000 0.275 90 E C -0.304 176.223 176.600 -0.121 0.000 0.935 90 E CA -0.270 55.912 56.400 -0.362 0.000 0.775 90 E CB 1.309 30.753 29.700 -0.427 0.000 1.277 90 E HN 0.389 nan 8.360 nan 0.000 0.455 91 N N 0.676 119.293 118.700 -0.138 0.000 1.366 91 N HA -0.333 4.409 4.740 0.004 0.000 0.141 91 N C 0.282 175.634 175.510 -0.263 0.000 0.460 91 N CA 2.280 55.208 53.050 -0.204 0.000 1.090 91 N CB -1.233 37.066 38.487 -0.312 0.000 1.396 91 N HN 0.534 nan 8.380 nan 0.000 0.443 92 S N -0.621 114.691 115.700 -0.647 0.000 2.694 92 S HA 0.451 4.923 4.470 0.004 0.000 0.232 92 S C -1.109 172.856 174.600 -1.058 0.000 1.017 92 S CA -0.816 56.798 58.200 -0.977 0.000 1.139 92 S CB -0.476 62.272 63.200 -0.753 0.000 1.247 92 S HN 0.419 nan 8.310 nan 0.000 0.452 93 Y N 1.074 121.175 120.300 -0.331 0.000 2.326 93 Y HA 0.675 5.227 4.550 0.003 0.000 0.337 93 Y C 1.308 177.195 175.900 -0.022 0.000 1.023 93 Y CA -0.797 57.189 58.100 -0.189 0.000 1.143 93 Y CB 1.373 39.785 38.460 -0.080 0.000 1.183 93 Y HN 0.402 nan 8.280 nan 0.000 0.485 94 A N 3.181 126.096 122.820 0.158 0.000 2.178 94 A HA 0.192 4.514 4.320 0.004 0.000 0.211 94 A C -0.112 177.604 177.584 0.221 0.000 1.157 94 A CA 0.438 52.646 52.037 0.285 0.000 0.780 94 A CB 0.181 19.318 19.000 0.228 0.000 0.828 94 A HN 0.569 nan 8.150 nan 0.000 0.476 95 L N -0.965 120.338 121.223 0.133 0.000 2.438 95 L HA 0.766 5.108 4.340 0.004 0.000 0.270 95 L C -0.854 175.943 176.870 -0.122 0.000 0.972 95 L CA -0.466 54.400 54.840 0.042 0.000 0.831 95 L CB 1.789 43.900 42.059 0.086 0.000 1.273 95 L HN 0.147 nan 8.230 nan 0.000 0.405 96 A N 4.833 127.502 122.820 -0.252 0.000 2.414 96 A HA 0.753 5.075 4.320 0.004 0.000 0.286 96 A C -1.692 175.562 177.584 -0.550 0.000 1.073 96 A CA -0.464 51.297 52.037 -0.461 0.000 0.727 96 A CB 1.534 20.237 19.000 -0.495 0.000 1.215 96 A HN 0.495 nan 8.150 nan 0.000 0.430 97 V N 4.339 123.802 119.914 -0.752 0.000 2.349 97 V HA 0.505 4.627 4.120 0.004 0.000 0.284 97 V C -0.555 175.204 176.094 -0.558 0.000 1.014 97 V CA -0.107 61.741 62.300 -0.753 0.000 0.826 97 V CB 0.719 31.748 31.823 -1.323 0.000 1.009 97 V HN 0.755 nan 8.190 nan 0.000 0.431 98 L N 3.786 124.793 121.223 -0.359 0.000 2.436 98 L HA 0.475 4.817 4.340 0.004 0.000 0.268 98 L C 0.565 177.361 176.870 -0.123 0.000 0.974 98 L CA -0.798 53.898 54.840 -0.240 0.000 0.826 98 L CB 2.330 44.237 42.059 -0.253 0.000 1.291 98 L HN 0.798 nan 8.230 nan 0.000 0.406 99 S N 0.706 116.407 115.700 0.003 0.000 3.410 99 S HA -0.223 4.250 4.470 0.004 0.000 0.369 99 S C 0.075 174.765 174.600 0.149 0.000 0.961 99 S CA 0.473 58.800 58.200 0.211 0.000 1.248 99 S CB -1.693 61.602 63.200 0.159 0.000 0.914 99 S HN 0.781 nan 8.310 nan 0.000 0.497 100 N N 2.605 121.394 118.700 0.147 0.000 3.124 100 N HA 0.432 5.175 4.740 0.004 0.000 0.284 100 N C -0.314 175.309 175.510 0.189 0.000 1.209 100 N CA 0.250 53.334 53.050 0.056 0.000 1.149 100 N CB -0.115 38.376 38.487 0.007 0.000 1.434 100 N HN 0.935 nan 8.380 nan 0.000 0.529 101 Y N -1.454 118.806 120.300 -0.066 0.000 2.702 101 Y HA 0.402 4.954 4.550 0.003 0.000 0.336 101 Y C -1.453 174.424 175.900 -0.037 0.000 1.203 101 Y CA -1.373 56.704 58.100 -0.037 0.000 1.072 101 Y CB 0.841 39.295 38.460 -0.009 0.000 1.327 101 Y HN -0.000 nan 8.280 nan 0.000 0.456 102 D N 1.067 121.414 120.400 -0.088 0.000 2.654 102 D HA 0.538 5.181 4.640 0.004 0.000 0.255 102 D C 0.660 176.957 176.300 -0.006 0.000 1.101 102 D CA -0.400 53.505 54.000 -0.158 0.000 1.116 102 D CB 1.389 42.143 40.800 -0.076 0.000 1.348 102 D HN 0.921 nan 8.370 nan 0.000 0.609 103 A N -0.308 122.509 122.820 -0.005 0.000 2.015 103 A HA -0.147 4.175 4.320 0.004 0.000 0.219 103 A C 1.463 179.090 177.584 0.072 0.000 1.163 103 A CA 0.809 52.878 52.037 0.054 0.000 0.646 103 A CB -0.825 18.197 19.000 0.036 0.000 0.806 103 A HN 0.584 nan 8.150 nan 0.000 0.448 104 N N -0.146 118.589 118.700 0.058 0.000 2.413 104 N HA 0.020 4.762 4.740 0.004 0.000 0.207 104 N C -0.419 175.128 175.510 0.062 0.000 1.206 104 N CA 0.302 53.384 53.050 0.053 0.000 0.832 104 N CB -0.011 38.501 38.487 0.041 0.000 1.037 104 N HN 0.366 nan 8.380 nan 0.000 0.467 105 K N -0.218 120.235 120.400 0.088 0.000 3.125 105 K HA -0.162 4.160 4.320 0.004 0.000 0.268 105 K C -0.563 176.084 176.600 0.079 0.000 1.078 105 K CA 0.722 57.060 56.287 0.085 0.000 0.775 105 K CB -1.388 31.146 32.500 0.057 0.000 1.253 105 K HN 0.269 nan 8.250 nan 0.000 0.486 106 T N -1.996 112.615 114.554 0.095 0.000 2.956 106 T HA 0.763 5.115 4.350 0.004 0.000 0.312 106 T C -0.070 174.690 174.700 0.101 0.000 1.151 106 T CA 0.082 62.228 62.100 0.076 0.000 1.024 106 T CB 1.949 70.843 68.868 0.043 0.000 1.140 106 T HN 0.362 nan 8.240 nan 0.000 0.473 107 G N 2.020 110.875 108.800 0.090 0.000 2.753 107 G HA2 0.559 4.521 3.960 0.004 0.000 0.303 107 G HA3 0.559 4.521 3.960 0.004 0.000 0.303 107 G C -1.553 173.385 174.900 0.063 0.000 1.242 107 G CA -0.748 44.411 45.100 0.099 0.000 0.810 107 G HN 0.930 nan 8.290 nan 0.000 0.515 108 L N 0.550 121.813 121.223 0.066 0.000 2.360 108 L HA 0.552 4.894 4.340 0.004 0.000 0.276 108 L C 1.198 178.110 176.870 0.070 0.000 1.121 108 L CA 0.191 55.064 54.840 0.055 0.000 0.845 108 L CB 0.976 43.066 42.059 0.051 0.000 1.143 108 L HN 0.657 nan 8.230 nan 0.000 0.452 109 K N 2.439 122.875 120.400 0.060 0.000 2.225 109 K HA 0.212 4.534 4.320 0.004 0.000 0.204 109 K C -0.283 176.363 176.600 0.078 0.000 1.047 109 K CA 0.518 56.842 56.287 0.061 0.000 0.970 109 K CB 0.385 32.910 32.500 0.042 0.000 0.939 109 K HN 0.644 nan 8.250 nan 0.000 0.472 110 E N 1.311 121.554 120.200 0.073 0.000 2.182 110 E HA 0.167 4.519 4.350 0.004 0.000 0.258 110 E C -1.574 175.083 176.600 0.095 0.000 0.879 110 E CA -0.312 56.138 56.400 0.083 0.000 0.754 110 E CB 1.669 31.401 29.700 0.054 0.000 1.162 110 E HN -0.091 nan 8.360 nan 0.000 0.419 111 L N 6.039 127.356 121.223 0.156 0.000 2.709 111 L HA 0.337 4.680 4.340 0.004 0.000 0.236 111 L C -2.423 174.559 176.870 0.187 0.000 1.266 111 L CA -2.212 52.732 54.840 0.174 0.000 0.987 111 L CB 0.731 42.967 42.059 0.295 0.000 1.306 111 L HN 0.264 nan 8.230 nan 0.000 0.467 112 P HA 0.143 nan 4.420 nan 0.000 0.225 112 P C -0.454 176.704 177.300 -0.236 0.000 1.813 112 P CA -0.130 62.999 63.100 0.050 0.000 1.013 112 P CB -0.220 31.497 31.700 0.029 0.000 1.961 113 M N 1.974 121.217 119.600 -0.594 0.000 3.422 113 M HA 0.238 4.721 4.480 0.004 0.000 0.248 113 M C 1.290 176.599 176.300 -1.651 0.000 1.433 113 M CA -0.194 54.513 55.300 -0.988 0.000 1.592 113 M CB -0.147 31.927 32.600 -0.877 0.000 1.078 113 M HN 0.060 nan 8.290 nan 0.000 0.578 114 R N -0.777 119.173 120.500 -0.917 0.000 2.307 114 R HA 0.095 4.437 4.340 0.004 0.000 0.199 114 R C 0.722 176.821 176.300 -0.335 0.000 1.000 114 R CA 0.591 56.321 56.100 -0.617 0.000 1.023 114 R CB -0.224 29.985 30.300 -0.152 0.000 0.908 114 R HN 0.432 nan 8.270 nan 0.000 0.473 115 N N 0.533 119.024 118.700 -0.348 0.000 2.187 115 N HA 0.047 4.789 4.740 0.004 0.000 0.212 115 N C -0.616 174.797 175.510 -0.163 0.000 1.152 115 N CA -0.210 52.731 53.050 -0.183 0.000 0.872 115 N CB 0.638 39.046 38.487 -0.132 0.000 1.025 115 N HN 0.121 nan 8.380 nan 0.000 0.514 116 L N 2.166 123.234 121.223 -0.257 0.000 2.536 116 L HA 0.086 4.428 4.340 0.004 0.000 0.282 116 L C 1.108 177.983 176.870 0.008 0.000 1.147 116 L CA 0.622 55.385 54.840 -0.129 0.000 0.936 116 L CB 0.210 42.163 42.059 -0.177 0.000 1.279 116 L HN 0.001 nan 8.230 nan 0.000 0.461 117 Q N 1.862 121.673 119.800 0.019 0.000 2.390 117 Q HA 0.185 4.527 4.340 0.004 0.000 0.216 117 Q C -0.006 176.037 176.000 0.071 0.000 0.916 117 Q CA 0.497 56.331 55.803 0.052 0.000 0.911 117 Q CB 0.622 29.379 28.738 0.032 0.000 1.035 117 Q HN 0.714 nan 8.270 nan 0.000 0.541 118 E N 0.360 120.595 120.200 0.057 0.000 2.199 118 E HA 0.411 4.763 4.350 0.004 0.000 0.269 118 E C -1.310 175.335 176.600 0.075 0.000 0.899 118 E CA -0.367 56.072 56.400 0.064 0.000 0.772 118 E CB 1.296 31.015 29.700 0.032 0.000 1.155 118 E HN 0.053 nan 8.360 nan 0.000 0.408 119 I N 5.922 126.547 120.570 0.092 0.000 2.354 119 I HA 0.116 4.289 4.170 0.004 0.000 0.286 119 I C 0.492 176.609 176.117 -0.001 0.000 1.007 119 I CA -0.421 60.923 61.300 0.073 0.000 1.167 119 I CB 1.379 39.451 38.000 0.120 0.000 1.320 119 I HN 0.630 nan 8.210 nan 0.000 0.458 120 L N 6.769 127.970 121.223 -0.037 0.000 2.179 120 L HA 0.128 4.470 4.340 0.004 0.000 0.208 120 L C 0.366 176.980 176.870 -0.428 0.000 1.096 120 L CA 1.579 56.315 54.840 -0.173 0.000 0.779 120 L CB -0.219 41.777 42.059 -0.105 0.000 0.922 120 L HN 0.522 nan 8.230 nan 0.000 0.443 121 H N -1.680 117.326 119.070 -0.107 0.000 2.974 121 H HA 0.571 5.129 4.556 0.004 0.000 0.366 121 H C -0.121 174.821 175.328 -0.644 0.000 1.155 121 H CA -0.329 55.507 56.048 -0.355 0.000 1.186 121 H CB 1.443 31.162 29.762 -0.071 0.000 1.799 121 H HN 0.059 nan 8.280 nan 0.000 0.541 122 G N 0.214 107.918 108.800 -1.828 0.000 2.570 122 G HA2 0.271 4.233 3.960 0.004 0.000 0.686 122 G HA3 0.271 4.233 3.960 0.004 0.000 0.686 122 G C -0.890 173.643 174.900 -0.612 0.000 1.257 122 G CA -0.305 44.069 45.100 -1.209 0.000 0.846 122 G HN 0.785 nan 8.290 nan 0.000 0.627 123 A N -0.850 121.820 122.820 -0.251 0.000 2.580 123 A HA 1.002 5.324 4.320 0.004 0.000 0.275 123 A C 0.061 177.717 177.584 0.121 0.000 1.321 123 A CA 0.029 52.084 52.037 0.031 0.000 0.924 123 A CB 1.282 20.350 19.000 0.113 0.000 1.512 123 A HN 2.058 nan 8.150 nan 0.000 0.492 124 V N -0.184 119.818 119.914 0.146 0.000 2.760 124 V HA 0.599 4.722 4.120 0.004 0.000 0.309 124 V C -0.367 175.610 176.094 -0.195 0.000 1.077 124 V CA -0.600 61.675 62.300 -0.042 0.000 0.910 124 V CB 1.709 33.357 31.823 -0.292 0.000 1.008 124 V HN 0.925 nan 8.190 nan 0.000 0.424 125 R N 2.943 123.150 120.500 -0.489 0.000 2.480 125 R HA 0.672 5.014 4.340 0.004 0.000 0.306 125 R C -2.141 173.860 176.300 -0.499 0.000 0.958 125 R CA -0.440 55.263 56.100 -0.663 0.000 0.861 125 R CB 1.294 30.836 30.300 -1.263 0.000 1.171 125 R HN 0.554 nan 8.270 nan 0.000 0.445 126 F N 2.935 122.585 119.950 -0.500 0.000 2.460 126 F HA 0.408 4.937 4.527 0.003 0.000 0.341 126 F C -0.383 175.142 175.800 -0.459 0.000 1.130 126 F CA -0.088 57.613 58.000 -0.498 0.000 0.962 126 F CB 2.196 40.737 39.000 -0.765 0.000 1.171 126 F HN 0.613 nan 8.300 nan 0.000 0.436 127 S N 3.096 118.660 115.700 -0.226 0.000 2.541 127 S HA 0.442 4.914 4.470 0.004 0.000 0.271 127 S C -0.883 173.661 174.600 -0.094 0.000 1.133 127 S CA -1.045 57.061 58.200 -0.156 0.000 0.876 127 S CB 1.746 64.862 63.200 -0.139 0.000 1.105 127 S HN 0.666 nan 8.310 nan 0.000 0.470 128 N N 1.774 120.435 118.700 -0.064 0.000 2.708 128 N HA -0.133 4.609 4.740 0.004 0.000 0.255 128 N C -1.296 174.187 175.510 -0.045 0.000 1.046 128 N CA 0.557 53.567 53.050 -0.066 0.000 0.715 128 N CB -1.554 36.941 38.487 0.012 0.000 0.895 128 N HN 0.772 nan 8.380 nan 0.000 0.545 129 N N 0.311 118.997 118.700 -0.023 0.000 2.918 129 N HA 0.180 4.922 4.740 0.004 0.000 0.270 129 N C -2.109 173.414 175.510 0.020 0.000 1.536 129 N CA -0.872 52.199 53.050 0.034 0.000 0.877 129 N CB 1.295 39.841 38.487 0.099 0.000 1.190 129 N HN 0.143 nan 8.380 nan 0.000 0.492 130 P HA 0.075 nan 4.420 nan 0.000 0.242 130 P C 0.633 177.942 177.300 0.015 0.000 1.197 130 P CA 0.507 63.616 63.100 0.015 0.000 0.765 130 P CB 0.419 32.100 31.700 -0.032 0.000 0.936 131 A N -1.314 121.525 122.820 0.033 0.000 2.571 131 A HA 0.271 4.593 4.320 0.004 0.000 0.274 131 A C 0.309 177.923 177.584 0.049 0.000 1.196 131 A CA -0.178 51.881 52.037 0.037 0.000 0.957 131 A CB -0.383 18.649 19.000 0.053 0.000 1.150 131 A HN 0.127 nan 8.150 nan 0.000 0.539 132 L N 0.314 121.580 121.223 0.071 0.000 2.417 132 L HA 0.490 4.832 4.340 0.004 0.000 0.268 132 L C -0.408 176.509 176.870 0.078 0.000 1.158 132 L CA 0.077 54.986 54.840 0.116 0.000 0.819 132 L CB 0.864 43.051 42.059 0.213 0.000 1.112 132 L HN 0.327 nan 8.230 nan 0.000 0.458 133 c N 4.233 122.878 118.600 0.075 0.000 2.634 133 c HA 0.531 5.104 4.570 0.004 0.000 0.313 133 c C 0.762 174.847 174.090 -0.008 0.000 1.198 133 c CA -0.603 55.737 56.329 0.017 0.000 1.605 133 c CB 1.416 43.933 42.510 0.012 0.000 2.196 133 c HN 1.014 nan 8.230 nan 0.000 0.486 134 N N 0.289 118.935 118.700 -0.089 0.000 2.292 134 N HA -0.199 4.543 4.740 0.004 0.000 0.219 134 N C 1.005 176.335 175.510 -0.300 0.000 1.011 134 N CA 1.796 54.750 53.050 -0.159 0.000 2.776 134 N CB -1.354 37.083 38.487 -0.084 0.000 0.819 134 N HN 0.540 nan 8.380 nan 0.000 0.457 135 V N 2.176 121.944 119.914 -0.243 0.000 2.324 135 V HA -0.234 3.888 4.120 0.004 0.000 0.250 135 V C 2.476 178.116 176.094 -0.756 0.000 1.060 135 V CA 2.613 64.681 62.300 -0.387 0.000 1.042 135 V CB -0.605 31.206 31.823 -0.020 0.000 0.650 135 V HN 0.509 nan 8.190 nan 0.000 0.450 136 E N 0.812 120.350 120.200 -1.103 0.000 2.393 136 E HA -0.254 4.099 4.350 0.004 0.000 0.201 136 E C 1.960 178.036 176.600 -0.872 0.000 1.025 136 E CA 1.445 56.805 56.400 -1.734 0.000 0.856 136 E CB -0.084 28.905 29.700 -1.185 0.000 0.771 136 E HN 0.792 nan 8.360 nan 0.000 0.526 137 S N -0.481 114.833 115.700 -0.644 0.000 2.517 137 S HA 0.125 4.598 4.470 0.004 0.000 0.214 137 S C 0.888 175.167 174.600 -0.535 0.000 0.991 137 S CA -0.555 57.362 58.200 -0.472 0.000 0.906 137 S CB 0.139 63.115 63.200 -0.374 0.000 0.789 137 S HN 0.077 nan 8.310 nan 0.000 0.513 138 I N 3.078 123.194 120.570 -0.755 0.000 2.775 138 I HA 0.200 4.372 4.170 0.004 0.000 0.290 138 I C 0.972 176.589 176.117 -0.833 0.000 1.203 138 I CA 0.505 61.195 61.300 -1.017 0.000 1.433 138 I CB -0.663 36.348 38.000 -1.648 0.000 1.354 138 I HN 0.525 nan 8.210 nan 0.000 0.579 139 Q N 6.759 126.164 119.800 -0.657 0.000 2.456 139 Q HA 0.156 4.498 4.340 0.004 0.000 0.234 139 Q C 0.386 176.192 176.000 -0.324 0.000 1.061 139 Q CA -0.559 55.030 55.803 -0.357 0.000 0.896 139 Q CB -0.441 28.170 28.738 -0.211 0.000 1.233 139 Q HN 0.732 nan 8.270 nan 0.000 0.506 140 W N 0.625 121.899 121.300 -0.044 0.000 2.392 140 W HA -0.096 4.567 4.660 0.004 0.000 0.279 140 W C 1.997 178.543 176.519 0.045 0.000 1.225 140 W CA 0.767 58.127 57.345 0.025 0.000 1.233 140 W CB 0.271 29.764 29.460 0.055 0.000 1.122 140 W HN 0.681 nan 8.180 nan 0.000 0.561 141 R N 0.020 120.640 120.500 0.200 0.000 2.261 141 R HA -0.188 4.154 4.340 0.004 0.000 0.236 141 R C 1.214 177.575 176.300 0.102 0.000 1.141 141 R CA 1.684 57.867 56.100 0.139 0.000 1.001 141 R CB -0.454 29.899 30.300 0.088 0.000 0.866 141 R HN 0.211 nan 8.270 nan 0.000 0.468 142 D N -0.256 120.185 120.400 0.069 0.000 2.249 142 D HA 0.032 4.675 4.640 0.004 0.000 0.205 142 D C 1.469 177.822 176.300 0.089 0.000 0.962 142 D CA 0.661 54.691 54.000 0.051 0.000 0.860 142 D CB 0.352 41.155 40.800 0.005 0.000 0.955 142 D HN 0.133 nan 8.370 nan 0.000 0.505 143 I N -0.577 120.081 120.570 0.147 0.000 2.729 143 I HA 0.046 4.218 4.170 0.004 0.000 0.256 143 I C 0.245 176.489 176.117 0.212 0.000 1.115 143 I CA 0.115 61.534 61.300 0.198 0.000 1.446 143 I CB 0.592 38.776 38.000 0.307 0.000 1.176 143 I HN -0.226 nan 8.210 nan 0.000 0.446 144 V N 1.711 121.782 119.914 0.262 0.000 2.465 144 V HA 0.112 4.234 4.120 0.004 0.000 0.279 144 V C 0.539 176.746 176.094 0.188 0.000 1.045 144 V CA -0.518 61.915 62.300 0.222 0.000 0.938 144 V CB 1.312 33.288 31.823 0.255 0.000 0.986 144 V HN 0.338 nan 8.190 nan 0.000 0.467 145 S N 3.835 119.642 115.700 0.178 0.000 2.573 145 S HA -0.042 4.430 4.470 0.004 0.000 0.297 145 S C 1.560 176.297 174.600 0.227 0.000 1.280 145 S CA 0.181 58.502 58.200 0.201 0.000 1.061 145 S CB 0.653 64.004 63.200 0.253 0.000 0.812 145 S HN 1.162 nan 8.310 nan 0.000 0.500 146 S N 2.654 118.439 115.700 0.141 0.000 2.547 146 S HA -0.058 4.415 4.470 0.004 0.000 0.235 146 S C 0.917 175.546 174.600 0.049 0.000 0.980 146 S CA 0.719 58.977 58.200 0.097 0.000 0.941 146 S CB -0.250 62.988 63.200 0.062 0.000 0.763 146 S HN 0.804 nan 8.310 nan 0.000 0.532 147 D N 0.884 121.299 120.400 0.025 0.000 2.269 147 D HA 0.057 4.699 4.640 0.004 0.000 0.208 147 D C 0.811 176.895 176.300 -0.360 0.000 0.963 147 D CA 0.822 54.701 54.000 -0.201 0.000 0.864 147 D CB -0.228 40.364 40.800 -0.347 0.000 0.936 147 D HN 0.548 nan 8.370 nan 0.000 0.505 148 F N 0.295 120.261 119.950 0.027 0.000 2.746 148 F HA 0.206 4.735 4.527 0.003 0.000 0.297 148 F C 2.159 177.963 175.800 0.007 0.000 1.113 148 F CA -0.164 57.839 58.000 0.005 0.000 1.367 148 F CB -0.114 38.891 39.000 0.007 0.000 1.111 148 F HN -0.171 nan 8.300 nan 0.000 0.590 149 L N -0.665 120.649 121.223 0.153 0.000 2.051 149 L HA -0.320 4.022 4.340 0.004 0.000 0.214 149 L C 2.340 179.250 176.870 0.067 0.000 1.076 149 L CA 1.503 56.409 54.840 0.110 0.000 0.758 149 L CB -0.933 41.180 42.059 0.089 0.000 0.890 149 L HN 0.102 nan 8.230 nan 0.000 0.433 150 S N -0.280 115.437 115.700 0.028 0.000 2.442 150 S HA -0.081 4.391 4.470 0.004 0.000 0.236 150 S C 1.238 175.844 174.600 0.011 0.000 1.007 150 S CA 0.861 59.064 58.200 0.006 0.000 0.965 150 S CB -0.183 63.001 63.200 -0.028 0.000 0.773 150 S HN 0.454 nan 8.310 nan 0.000 0.504 151 N N 0.446 119.162 118.700 0.026 0.000 2.234 151 N HA 0.273 5.015 4.740 0.004 0.000 0.227 151 N C -0.355 175.210 175.510 0.092 0.000 1.151 151 N CA -0.045 53.011 53.050 0.011 0.000 0.865 151 N CB 0.144 38.590 38.487 -0.069 0.000 1.066 151 N HN 0.323 nan 8.380 nan 0.000 0.515 152 M N 0.544 120.203 119.600 0.098 0.000 2.228 152 M HA 0.083 4.566 4.480 0.004 0.000 0.351 152 M C 0.201 176.549 176.300 0.080 0.000 1.233 152 M CA 0.407 55.763 55.300 0.094 0.000 1.129 152 M CB 0.722 33.342 32.600 0.033 0.000 1.604 152 M HN -0.195 nan 8.290 nan 0.000 0.457 153 S N 5.749 121.468 115.700 0.033 0.000 2.259 153 S HA 0.495 4.967 4.470 0.004 0.000 0.181 153 S C -1.122 173.389 174.600 -0.149 0.000 1.589 153 S CA -0.749 57.426 58.200 -0.042 0.000 1.234 153 S CB 0.003 63.182 63.200 -0.036 0.000 1.119 153 S HN 0.639 nan 8.310 nan 0.000 0.458 154 M N 3.327 122.855 119.600 -0.119 0.000 2.047 154 M HA 0.400 4.882 4.480 0.004 0.000 0.342 154 M C -0.807 175.392 176.300 -0.169 0.000 1.058 154 M CA -0.475 54.709 55.300 -0.195 0.000 0.991 154 M CB 0.753 33.338 32.600 -0.024 0.000 1.474 154 M HN 0.363 nan 8.290 nan 0.000 0.419 155 D N 4.116 124.321 120.400 -0.325 0.000 2.420 155 D HA 0.409 5.051 4.640 0.004 0.000 0.255 155 D C -1.650 174.483 176.300 -0.278 0.000 1.185 155 D CA -0.149 53.743 54.000 -0.180 0.000 0.904 155 D CB 0.493 41.227 40.800 -0.111 0.000 1.102 155 D HN 0.249 nan 8.370 nan 0.000 0.534 156 F N 2.014 121.963 119.950 -0.003 0.000 2.404 156 F HA 0.441 4.970 4.527 0.003 0.000 0.354 156 F C 0.631 176.401 175.800 -0.050 0.000 1.122 156 F CA -0.494 57.492 58.000 -0.023 0.000 1.080 156 F CB 1.561 40.522 39.000 -0.065 0.000 1.131 156 F HN 0.078 nan 8.300 nan 0.000 0.471 157 Q N 2.786 122.631 119.800 0.074 0.000 2.444 157 Q HA 0.185 4.527 4.340 0.004 0.000 0.251 157 Q C -1.220 174.465 176.000 -0.524 0.000 0.939 157 Q CA -0.642 55.077 55.803 -0.141 0.000 0.740 157 Q CB 1.904 30.744 28.738 0.171 0.000 1.308 157 Q HN 0.634 nan 8.270 nan 0.000 0.461 158 N N 1.422 119.813 118.700 -0.514 0.000 2.419 158 N HA 0.181 4.923 4.740 0.004 0.000 0.264 158 N C -0.215 174.926 175.510 -0.616 0.000 1.031 158 N CA 0.025 52.820 53.050 -0.425 0.000 0.951 158 N CB 0.537 38.923 38.487 -0.169 0.000 1.101 158 N HN 0.560 nan 8.380 nan 0.000 0.488 159 H N 3.728 122.787 119.070 -0.017 0.000 3.367 159 H HA 0.150 4.708 4.556 0.004 0.000 0.257 159 H C 0.377 175.695 175.328 -0.017 0.000 1.201 159 H CA 0.042 56.077 56.048 -0.022 0.000 1.102 159 H CB 0.700 30.438 29.762 -0.039 0.000 1.656 159 H HN 0.471 nan 8.280 nan 0.000 0.662 160 L N -0.206 121.053 121.223 0.059 0.000 2.749 160 L HA 0.397 4.740 4.340 0.004 0.000 0.242 160 L C 1.005 177.892 176.870 0.027 0.000 1.103 160 L CA 0.216 55.084 54.840 0.048 0.000 0.906 160 L CB 1.210 43.298 42.059 0.050 0.000 1.228 160 L HN 0.140 nan 8.230 nan 0.000 0.517 161 G N -0.541 108.266 108.800 0.011 0.000 2.788 161 G HA2 0.492 4.454 3.960 0.004 0.000 0.293 161 G HA3 0.492 4.454 3.960 0.004 0.000 0.293 161 G C -1.268 173.627 174.900 -0.007 0.000 1.392 161 G CA -0.256 44.847 45.100 0.005 0.000 0.810 161 G HN -0.053 nan 8.290 nan 0.000 0.508 162 S N -1.729 113.967 115.700 -0.007 0.000 2.565 162 S HA 0.695 5.167 4.470 0.004 0.000 0.290 162 S C -0.365 174.226 174.600 -0.016 0.000 1.150 162 S CA -0.655 57.536 58.200 -0.015 0.000 1.058 162 S CB 1.359 64.552 63.200 -0.011 0.000 1.032 162 S HN 0.761 nan 8.310 nan 0.000 0.510 163 c N 1.685 120.271 118.600 -0.024 0.000 2.470 163 c HA 0.544 5.117 4.570 0.004 0.000 0.341 163 c C 0.736 174.812 174.090 -0.024 0.000 1.190 163 c CA -0.822 55.493 56.329 -0.023 0.000 1.904 163 c CB 1.091 43.581 42.510 -0.033 0.000 2.354 163 c HN 0.928 nan 8.230 nan 0.000 0.509 164 Q N 0.902 120.690 119.800 -0.019 0.000 2.584 164 Q HA 0.221 4.564 4.340 0.004 0.000 0.235 164 Q C -0.265 175.715 176.000 -0.034 0.000 1.079 164 Q CA 0.383 56.174 55.803 -0.021 0.000 0.977 164 Q CB 0.526 29.257 28.738 -0.012 0.000 1.293 164 Q HN 0.553 nan 8.270 nan 0.000 0.553 165 K N 0.051 120.430 120.400 -0.035 0.000 2.267 165 K HA 0.390 4.712 4.320 0.004 0.000 0.246 165 K C -0.899 175.672 176.600 -0.048 0.000 0.954 165 K CA -0.773 55.485 56.287 -0.048 0.000 0.824 165 K CB 1.658 34.131 32.500 -0.044 0.000 1.167 165 K HN 0.585 nan 8.250 nan 0.000 0.431 166 c N 1.577 120.137 118.600 -0.066 0.000 2.662 166 c HA 0.029 4.602 4.570 0.004 0.000 0.420 166 c C 0.918 174.978 174.090 -0.051 0.000 1.314 166 c CA -0.516 55.773 56.329 -0.066 0.000 1.963 166 c CB -0.507 41.945 42.510 -0.096 0.000 2.686 166 c HN 0.681 nan 8.230 nan 0.000 0.609 167 D N 3.924 124.301 120.400 -0.039 0.000 2.506 167 D HA -0.016 4.626 4.640 0.004 0.000 0.234 167 D C -1.048 175.229 176.300 -0.038 0.000 1.143 167 D CA -0.456 53.525 54.000 -0.032 0.000 0.871 167 D CB 0.970 41.757 40.800 -0.023 0.000 1.190 167 D HN 0.403 nan 8.370 nan 0.000 0.459 168 P HA -0.105 nan 4.420 nan 0.000 0.225 168 P C 1.377 178.658 177.300 -0.033 0.000 1.148 168 P CA 0.475 63.554 63.100 -0.035 0.000 0.779 168 P CB 0.290 31.973 31.700 -0.028 0.000 0.780 169 S N -0.750 114.933 115.700 -0.028 0.000 2.374 169 S HA -0.126 4.346 4.470 0.004 0.000 0.227 169 S C 1.013 175.594 174.600 -0.031 0.000 1.037 169 S CA 0.584 58.769 58.200 -0.025 0.000 1.024 169 S CB -0.988 62.201 63.200 -0.019 0.000 0.861 169 S HN 0.228 nan 8.310 nan 0.000 0.456 170 c N 3.838 122.414 118.600 -0.039 0.000 2.550 170 c HA 0.164 4.736 4.570 0.004 0.000 0.406 170 c C -1.880 172.175 174.090 -0.059 0.000 1.366 170 c CA -1.167 55.130 56.329 -0.053 0.000 1.712 170 c CB -0.458 42.008 42.510 -0.073 0.000 2.613 170 c HN 0.472 nan 8.230 nan 0.000 0.608 171 P HA 0.097 nan 4.420 nan 0.000 0.276 171 P C -0.167 177.081 177.300 -0.087 0.000 1.253 171 P CA 0.377 63.438 63.100 -0.066 0.000 0.766 171 P CB 0.319 31.982 31.700 -0.061 0.000 0.845 172 N N 2.674 121.329 118.700 -0.076 0.000 2.693 172 N HA -0.230 4.512 4.740 0.004 0.000 0.249 172 N C 0.958 176.404 175.510 -0.106 0.000 1.119 172 N CA 1.511 54.511 53.050 -0.085 0.000 0.717 172 N CB -1.985 36.450 38.487 -0.087 0.000 1.071 172 N HN 0.905 nan 8.380 nan 0.000 0.555 173 G N -1.178 107.560 108.800 -0.103 0.000 2.198 173 G HA2 -0.323 3.639 3.960 0.004 0.000 0.260 173 G HA3 -0.323 3.639 3.960 0.004 0.000 0.260 173 G C -0.079 174.723 174.900 -0.162 0.000 1.025 173 G CA 0.598 45.628 45.100 -0.116 0.000 0.769 173 G HN 0.509 nan 8.290 nan 0.000 0.507 174 S N -0.321 115.267 115.700 -0.187 0.000 2.442 174 S HA 0.737 5.209 4.470 0.004 0.000 0.297 174 S C 0.356 174.785 174.600 -0.285 0.000 1.131 174 S CA 0.127 58.160 58.200 -0.278 0.000 1.092 174 S CB 1.516 64.538 63.200 -0.297 0.000 0.998 174 S HN 1.573 nan 8.310 nan 0.000 0.478 175 c N 1.957 120.336 118.600 -0.368 0.000 3.306 175 c HA 0.628 5.200 4.570 0.004 0.000 0.335 175 c C -0.196 173.661 174.090 -0.389 0.000 1.382 175 c CA -1.012 55.144 56.329 -0.288 0.000 1.254 175 c CB -0.194 42.240 42.510 -0.126 0.000 1.555 175 c HN 0.948 nan 8.230 nan 0.000 0.463 176 W N 1.247 122.479 121.300 -0.114 0.000 2.996 176 W HA 0.531 5.193 4.660 0.004 0.000 0.270 176 W C 1.290 177.774 176.519 -0.058 0.000 1.280 176 W CA 1.099 58.390 57.345 -0.090 0.000 1.549 176 W CB 0.585 30.002 29.460 -0.072 0.000 1.079 176 W HN 1.333 nan 8.180 nan 0.000 0.629 177 G N -0.866 108.003 108.800 0.116 0.000 2.348 177 G HA2 0.437 4.399 3.960 0.004 0.000 0.296 177 G HA3 0.437 4.399 3.960 0.004 0.000 0.296 177 G C -1.375 173.543 174.900 0.029 0.000 1.258 177 G CA -0.536 44.604 45.100 0.067 0.000 0.868 177 G HN 0.081 nan 8.290 nan 0.000 0.488 178 A N -1.148 121.685 122.820 0.021 0.000 2.406 178 A HA 0.778 5.100 4.320 0.004 0.000 0.243 178 A C 1.195 178.785 177.584 0.011 0.000 1.082 178 A CA 1.489 53.530 52.037 0.007 0.000 0.786 178 A CB -0.178 18.825 19.000 0.005 0.000 1.029 178 A HN 2.801 nan 8.150 nan 0.000 0.495 179 G N -1.212 107.589 108.800 0.002 0.000 2.722 179 G HA2 0.351 4.313 3.960 0.004 0.000 0.686 179 G HA3 0.351 4.313 3.960 0.004 0.000 0.686 179 G C 0.459 175.362 174.900 0.005 0.000 1.282 179 G CA 0.509 45.611 45.100 0.003 0.000 0.817 179 G HN 1.864 nan 8.290 nan 0.000 0.605 180 E N 0.434 120.634 120.200 0.001 0.000 2.147 180 E HA -0.230 4.122 4.350 0.004 0.000 0.199 180 E C 2.276 178.882 176.600 0.009 0.000 1.005 180 E CA 2.522 58.922 56.400 0.000 0.000 0.810 180 E CB -0.601 29.097 29.700 -0.003 0.000 0.736 180 E HN 1.374 nan 8.360 nan 0.000 0.460 181 E N -0.366 119.841 120.200 0.012 0.000 2.409 181 E HA -0.118 4.234 4.350 0.004 0.000 0.198 181 E C 0.900 177.519 176.600 0.032 0.000 1.024 181 E CA 0.968 57.377 56.400 0.015 0.000 0.861 181 E CB -0.005 29.700 29.700 0.007 0.000 0.788 181 E HN 0.381 nan 8.360 nan 0.000 0.521 182 N N 0.320 119.050 118.700 0.051 0.000 2.214 182 N HA 0.106 4.848 4.740 0.004 0.000 0.214 182 N C -0.735 174.861 175.510 0.145 0.000 1.132 182 N CA -0.147 52.970 53.050 0.111 0.000 0.856 182 N CB 0.247 38.800 38.487 0.111 0.000 1.020 182 N HN 0.125 nan 8.380 nan 0.000 0.509 183 c N 1.568 120.213 118.600 0.076 0.000 2.644 183 c HA 0.133 4.705 4.570 0.004 0.000 0.417 183 c C 1.262 175.407 174.090 0.092 0.000 1.304 183 c CA -0.656 55.694 56.329 0.035 0.000 2.035 183 c CB 0.099 42.609 42.510 0.000 0.000 2.673 183 c HN 0.360 nan 8.230 nan 0.000 0.602 184 Q N 1.721 121.531 119.800 0.016 0.000 2.286 184 Q HA 0.022 4.365 4.340 0.004 0.000 0.290 184 Q C -0.194 175.829 176.000 0.038 0.000 1.049 184 Q CA 0.886 56.717 55.803 0.046 0.000 0.923 184 Q CB 0.447 29.108 28.738 -0.129 0.000 1.183 184 Q HN 0.583 nan 8.270 nan 0.000 0.383 185 K N 4.112 124.553 120.400 0.068 0.000 2.300 185 K HA 0.296 4.618 4.320 0.004 0.000 0.264 185 K C -0.615 175.997 176.600 0.019 0.000 1.083 185 K CA -0.222 56.083 56.287 0.030 0.000 0.958 185 K CB 0.508 33.025 32.500 0.028 0.000 1.318 185 K HN 0.403 nan 8.250 nan 0.000 0.448 186 L N 2.769 123.991 121.223 -0.002 0.000 2.410 186 L HA 0.085 4.427 4.340 0.004 0.000 0.273 186 L C 1.156 178.029 176.870 0.004 0.000 1.144 186 L CA 0.152 54.988 54.840 -0.006 0.000 0.863 186 L CB 0.448 42.494 42.059 -0.022 0.000 1.140 186 L HN 0.743 nan 8.230 nan 0.000 0.463 187 T N -2.245 112.316 114.554 0.011 0.000 3.144 187 T HA 0.162 4.514 4.350 0.004 0.000 0.290 187 T C 0.683 175.394 174.700 0.017 0.000 0.966 187 T CA -0.424 61.685 62.100 0.015 0.000 0.907 187 T CB 0.511 69.390 68.868 0.019 0.000 1.152 187 T HN 0.589 nan 8.240 nan 0.000 0.532 188 K N 1.630 122.040 120.400 0.017 0.000 2.469 188 K HA 0.418 4.740 4.320 0.004 0.000 0.228 188 K C 1.790 178.399 176.600 0.015 0.000 1.266 188 K CA 0.336 56.636 56.287 0.021 0.000 0.775 188 K CB -0.062 32.458 32.500 0.032 0.000 1.582 188 K HN 0.230 nan 8.250 nan 0.000 0.415 189 I N 0.012 120.590 120.570 0.014 0.000 3.102 189 I HA 0.031 4.203 4.170 0.004 0.000 0.278 189 I C 1.080 177.198 176.117 0.000 0.000 1.316 189 I CA 1.096 62.401 61.300 0.008 0.000 1.425 189 I CB -0.091 37.912 38.000 0.005 0.000 1.073 189 I HN 0.159 nan 8.210 nan 0.000 0.503 190 I N 0.674 121.244 120.570 -0.000 0.000 3.856 190 I HA 0.250 4.423 4.170 0.004 0.000 0.330 190 I C -0.482 175.635 176.117 -0.001 0.000 1.546 190 I CA -0.169 61.129 61.300 -0.004 0.000 1.132 190 I CB 0.322 38.317 38.000 -0.009 0.000 1.157 190 I HN 0.326 nan 8.210 nan 0.000 0.440 191 c N 1.036 119.637 118.600 0.002 0.000 2.707 191 c HA 0.750 5.322 4.570 0.004 0.000 0.313 191 c C 0.883 174.974 174.090 0.002 0.000 1.209 191 c CA -1.001 55.330 56.329 0.002 0.000 1.635 191 c CB 1.322 43.836 42.510 0.005 0.000 2.206 191 c HN 0.466 nan 8.230 nan 0.000 0.485 192 A N 1.393 124.214 122.820 0.001 0.000 2.492 192 A HA 0.435 4.757 4.320 0.004 0.000 0.236 192 A C 1.442 179.026 177.584 0.001 0.000 1.078 192 A CA 1.096 53.133 52.037 0.000 0.000 0.773 192 A CB -0.270 18.730 19.000 -0.001 0.000 1.023 192 A HN 1.340 nan 8.150 nan 0.000 0.504 193 Q N -0.476 119.325 119.800 0.000 0.000 2.062 193 Q HA -0.256 4.086 4.340 0.004 0.000 0.209 193 Q C 2.541 178.541 176.000 -0.001 0.000 0.996 193 Q CA 4.418 60.221 55.803 0.001 0.000 0.859 193 Q CB -1.912 26.826 28.738 -0.000 0.000 0.920 193 Q HN 1.736 nan 8.270 nan 0.000 0.415 194 Q N -0.377 119.422 119.800 -0.002 0.000 2.065 194 Q HA -0.187 4.155 4.340 0.004 0.000 0.213 194 Q C 2.026 178.022 176.000 -0.007 0.000 1.012 194 Q CA 1.487 57.288 55.803 -0.005 0.000 0.876 194 Q CB -1.991 26.744 28.738 -0.005 0.000 0.954 194 Q HN 1.062 nan 8.270 nan 0.000 0.413 195 c N 1.172 119.769 118.600 -0.005 0.000 2.538 195 c HA 0.261 4.833 4.570 0.004 0.000 0.408 195 c C 2.412 176.499 174.090 -0.004 0.000 1.421 195 c CA -0.090 56.235 56.329 -0.006 0.000 1.642 195 c CB -0.670 41.841 42.510 0.000 0.000 2.553 195 c HN 0.857 nan 8.230 nan 0.000 0.604 196 S N 3.890 119.583 115.700 -0.010 0.000 2.343 196 S HA 0.047 4.519 4.470 0.004 0.000 0.212 196 S C 1.201 175.805 174.600 0.006 0.000 1.033 196 S CA 0.984 59.182 58.200 -0.005 0.000 1.004 196 S CB -0.650 62.541 63.200 -0.014 0.000 0.977 196 S HN 0.959 nan 8.310 nan 0.000 0.427 197 G N 1.945 110.750 108.800 0.008 0.000 3.227 197 G HA2 0.532 4.494 3.960 0.004 0.000 0.171 197 G HA3 0.532 4.494 3.960 0.004 0.000 0.171 197 G C -0.216 174.697 174.900 0.020 0.000 1.463 197 G CA -0.843 44.268 45.100 0.019 0.000 1.016 197 G HN 0.304 nan 8.290 nan 0.000 0.594 198 R N -1.081 119.435 120.500 0.027 0.000 2.919 198 R HA 0.378 4.720 4.340 0.004 0.000 0.284 198 R C -0.058 176.256 176.300 0.023 0.000 1.104 198 R CA 0.379 56.495 56.100 0.026 0.000 1.207 198 R CB -0.407 29.911 30.300 0.030 0.000 1.162 198 R HN 0.777 nan 8.270 nan 0.000 0.561 199 c N -2.601 116.012 118.600 0.021 0.000 3.295 199 c HA 0.558 5.130 4.570 0.004 0.000 0.341 199 c C 0.479 174.578 174.090 0.015 0.000 1.418 199 c CA -0.985 55.354 56.329 0.017 0.000 1.240 199 c CB 1.755 44.272 42.510 0.012 0.000 1.562 199 c HN 1.006 nan 8.230 nan 0.000 0.457 200 R N 0.167 120.675 120.500 0.012 0.000 2.555 200 R HA 0.587 4.929 4.340 0.004 0.000 0.312 200 R C 0.419 176.723 176.300 0.007 0.000 0.938 200 R CA 0.504 56.610 56.100 0.010 0.000 1.112 200 R CB 0.542 30.850 30.300 0.012 0.000 1.535 200 R HN 1.154 nan 8.270 nan 0.000 0.525 201 G N 0.469 109.273 108.800 0.006 0.000 3.086 201 G HA2 0.280 4.242 3.960 0.004 0.000 0.282 201 G HA3 0.280 4.242 3.960 0.004 0.000 0.282 201 G C -0.941 173.960 174.900 0.002 0.000 1.343 201 G CA -0.684 44.418 45.100 0.003 0.000 0.895 201 G HN -0.015 nan 8.290 nan 0.000 0.557 202 K N -0.587 119.814 120.400 0.000 0.000 2.374 202 K HA 0.252 4.574 4.320 0.004 0.000 0.202 202 K C 0.833 177.433 176.600 -0.000 0.000 1.040 202 K CA 0.127 56.413 56.287 -0.001 0.000 1.085 202 K CB 0.217 32.715 32.500 -0.003 0.000 0.873 202 K HN 0.508 nan 8.250 nan 0.000 0.539 203 S N 0.035 115.735 115.700 0.001 0.000 2.713 203 S HA 0.322 4.794 4.470 0.004 0.000 0.283 203 S C -1.756 172.845 174.600 0.001 0.000 1.161 203 S CA -1.269 56.931 58.200 0.001 0.000 0.999 203 S CB 1.181 64.382 63.200 0.001 0.000 1.039 203 S HN -0.097 nan 8.310 nan 0.000 0.548 204 P HA -0.052 nan 4.420 nan 0.000 0.217 204 P C 0.712 178.012 177.300 0.001 0.000 1.150 204 P CA 1.127 64.227 63.100 0.000 0.000 0.832 204 P CB -0.372 31.327 31.700 -0.001 0.000 0.787 205 S N -0.014 115.688 115.700 0.003 0.000 2.704 205 S HA 0.256 4.729 4.470 0.004 0.000 0.241 205 S C -0.151 174.454 174.600 0.007 0.000 1.264 205 S CA -0.357 57.846 58.200 0.005 0.000 1.236 205 S CB -1.193 62.010 63.200 0.005 0.000 0.928 205 S HN 0.161 nan 8.310 nan 0.000 0.492 206 D N -1.454 118.951 120.400 0.008 0.000 3.120 206 D HA 0.150 4.792 4.640 0.004 0.000 0.331 206 D C -0.339 175.968 176.300 0.012 0.000 1.595 206 D CA -0.484 53.523 54.000 0.011 0.000 0.771 206 D CB -1.274 39.532 40.800 0.009 0.000 1.274 206 D HN 0.309 nan 8.370 nan 0.000 0.503 207 c N 0.572 119.179 118.600 0.010 0.000 2.605 207 c HA 0.547 5.120 4.570 0.004 0.000 0.404 207 c C 1.035 175.139 174.090 0.022 0.000 1.284 207 c CA -0.610 55.725 56.329 0.010 0.000 2.199 207 c CB 0.176 42.685 42.510 -0.001 0.000 2.647 207 c HN 0.570 nan 8.230 nan 0.000 0.604 208 c N 1.603 120.221 118.600 0.030 0.000 2.466 208 c HA 0.275 4.847 4.570 0.004 0.000 0.379 208 c C 0.660 174.795 174.090 0.075 0.000 1.251 208 c CA -0.247 56.116 56.329 0.057 0.000 2.263 208 c CB -0.801 41.742 42.510 0.055 0.000 2.511 208 c HN 0.986 nan 8.230 nan 0.000 0.573 209 H N 2.416 121.495 119.070 0.014 0.000 3.092 209 H HA -0.068 4.490 4.556 0.003 0.000 0.332 209 H C 1.613 176.952 175.328 0.018 0.000 1.029 209 H CA 0.888 56.946 56.048 0.017 0.000 1.376 209 H CB 0.588 30.361 29.762 0.018 0.000 1.329 209 H HN 0.680 nan 8.280 nan 0.000 0.598 210 N N 2.385 121.036 118.700 -0.083 0.000 2.144 210 N HA -0.246 4.496 4.740 0.004 0.000 0.195 210 N C 1.078 176.703 175.510 0.193 0.000 1.006 210 N CA 1.688 54.762 53.050 0.040 0.000 0.880 210 N CB 0.046 38.498 38.487 -0.057 0.000 1.018 210 N HN 0.704 nan 8.380 nan 0.000 0.443 211 Q N -0.576 119.475 119.800 0.417 0.000 2.472 211 Q HA 0.039 4.381 4.340 0.004 0.000 0.208 211 Q C 0.322 176.381 176.000 0.099 0.000 0.958 211 Q CA 0.121 56.048 55.803 0.205 0.000 0.932 211 Q CB -0.112 28.681 28.738 0.091 0.000 1.007 211 Q HN 0.400 nan 8.270 nan 0.000 0.508 212 c N -0.106 118.555 118.600 0.101 0.000 2.459 212 c HA 0.561 5.133 4.570 0.004 0.000 0.374 212 c C 1.706 175.819 174.090 0.037 0.000 1.241 212 c CA -0.343 56.020 56.329 0.055 0.000 2.352 212 c CB 0.954 43.499 42.510 0.058 0.000 2.490 212 c HN 0.480 nan 8.230 nan 0.000 0.583 213 A N 2.089 124.922 122.820 0.021 0.000 2.054 213 A HA 0.437 4.759 4.320 0.004 0.000 0.221 213 A C 2.037 179.632 177.584 0.018 0.000 1.587 213 A CA 0.964 53.009 52.037 0.013 0.000 0.664 213 A CB -1.305 17.695 19.000 -0.000 0.000 1.248 213 A HN 0.982 nan 8.150 nan 0.000 0.527 214 A N -1.584 121.245 122.820 0.014 0.000 2.014 214 A HA 0.466 4.788 4.320 0.004 0.000 0.218 214 A C 1.301 178.897 177.584 0.020 0.000 1.163 214 A CA 1.826 53.873 52.037 0.017 0.000 0.652 214 A CB -0.630 18.375 19.000 0.008 0.000 0.808 214 A HN 1.965 nan 8.150 nan 0.000 0.449 215 G N -2.864 105.948 108.800 0.020 0.000 2.351 215 G HA2 0.408 4.371 3.960 0.004 0.000 0.279 215 G HA3 0.408 4.371 3.960 0.004 0.000 0.279 215 G C -0.713 174.201 174.900 0.022 0.000 1.297 215 G CA 0.012 45.125 45.100 0.022 0.000 0.886 215 G HN 1.568 nan 8.290 nan 0.000 0.493 216 c N -3.391 115.222 118.600 0.022 0.000 3.320 216 c HA 0.876 5.448 4.570 0.004 0.000 0.335 216 c C 0.786 174.887 174.090 0.018 0.000 1.430 216 c CA 0.263 56.606 56.329 0.023 0.000 1.271 216 c CB 1.209 43.740 42.510 0.035 0.000 1.609 216 c HN 1.080 nan 8.230 nan 0.000 0.457 217 T N 0.313 114.878 114.554 0.018 0.000 3.084 217 T HA 0.643 4.995 4.350 0.004 0.000 0.270 217 T C 0.470 175.181 174.700 0.017 0.000 1.008 217 T CA 0.714 62.823 62.100 0.015 0.000 0.900 217 T CB 0.127 69.001 68.868 0.012 0.000 1.084 217 T HN 1.682 nan 8.240 nan 0.000 0.538 218 G N 1.659 110.473 108.800 0.024 0.000 2.322 218 G HA2 0.375 4.338 3.960 0.004 0.000 0.295 218 G HA3 0.375 4.338 3.960 0.004 0.000 0.295 218 G C -2.580 172.344 174.900 0.041 0.000 1.369 218 G CA -0.771 44.345 45.100 0.027 0.000 0.821 218 G HN -0.268 nan 8.290 nan 0.000 0.536 219 P HA 0.022 nan 4.420 nan 0.000 0.215 219 P C 0.842 178.204 177.300 0.103 0.000 1.157 219 P CA 0.529 63.665 63.100 0.060 0.000 0.856 219 P CB 0.238 31.965 31.700 0.045 0.000 0.786 220 R N 0.541 121.092 120.500 0.086 0.000 2.641 220 R HA 0.241 4.583 4.340 0.004 0.000 0.269 220 R C 1.813 178.143 176.300 0.050 0.000 1.074 220 R CA 0.970 57.130 56.100 0.099 0.000 1.133 220 R CB -0.504 29.827 30.300 0.051 0.000 1.029 220 R HN 0.011 nan 8.270 nan 0.000 0.488 221 E N 1.119 121.282 120.200 -0.061 0.000 2.401 221 E HA -0.199 4.153 4.350 0.004 0.000 0.204 221 E C 1.100 177.596 176.600 -0.173 0.000 1.036 221 E CA 1.846 58.013 56.400 -0.388 0.000 0.856 221 E CB -0.625 28.736 29.700 -0.566 0.000 0.770 221 E HN 0.698 nan 8.360 nan 0.000 0.527 222 S N -1.400 114.256 115.700 -0.073 0.000 2.593 222 S HA 0.147 4.620 4.470 0.004 0.000 0.236 222 S C 0.417 175.009 174.600 -0.014 0.000 0.991 222 S CA 0.119 58.296 58.200 -0.039 0.000 0.963 222 S CB 0.291 63.475 63.200 -0.026 0.000 0.865 222 S HN 0.401 nan 8.310 nan 0.000 0.488 223 D N 1.203 121.601 120.400 -0.003 0.000 2.395 223 D HA 0.251 4.893 4.640 0.004 0.000 0.213 223 D C -0.014 176.294 176.300 0.014 0.000 1.110 223 D CA -0.145 53.862 54.000 0.010 0.000 0.835 223 D CB 0.340 41.153 40.800 0.022 0.000 0.965 223 D HN 0.369 nan 8.370 nan 0.000 0.505 224 c N 1.032 119.636 118.600 0.008 0.000 2.679 224 c HA 0.092 4.665 4.570 0.004 0.000 0.417 224 c C 2.473 176.569 174.090 0.010 0.000 1.302 224 c CA -0.454 55.883 56.329 0.014 0.000 1.973 224 c CB 0.379 42.894 42.510 0.007 0.000 2.715 224 c HN 0.328 nan 8.230 nan 0.000 0.628 225 L N 2.042 123.272 121.223 0.011 0.000 2.056 225 L HA 0.054 4.396 4.340 0.004 0.000 0.207 225 L C 0.654 177.526 176.870 0.004 0.000 1.078 225 L CA 1.519 56.363 54.840 0.007 0.000 0.749 225 L CB -0.253 41.809 42.059 0.006 0.000 0.901 225 L HN 0.586 nan 8.230 nan 0.000 0.433 226 V N -1.947 117.969 119.914 0.004 0.000 3.177 226 V HA 0.222 4.344 4.120 0.004 0.000 0.287 226 V C -1.475 174.618 176.094 -0.002 0.000 1.465 226 V CA -1.122 61.177 62.300 -0.001 0.000 1.020 226 V CB 2.053 33.873 31.823 -0.006 0.000 1.152 226 V HN -0.003 nan 8.190 nan 0.000 0.448 227 c N 4.271 122.866 118.600 -0.009 0.000 2.341 227 c HA 0.474 5.046 4.570 0.004 0.000 0.338 227 c C 1.813 175.887 174.090 -0.026 0.000 1.257 227 c CA -0.494 55.830 56.329 -0.009 0.000 1.883 227 c CB 0.992 43.500 42.510 -0.003 0.000 2.334 227 c HN 0.985 nan 8.230 nan 0.000 0.524 228 R N 1.018 121.512 120.500 -0.010 0.000 2.096 228 R HA -0.087 4.255 4.340 0.004 0.000 0.235 228 R C 1.234 177.499 176.300 -0.058 0.000 1.127 228 R CA 1.522 57.610 56.100 -0.019 0.000 0.968 228 R CB 0.154 30.461 30.300 0.011 0.000 0.861 228 R HN 0.729 nan 8.270 nan 0.000 0.440 229 K N -1.685 118.675 120.400 -0.066 0.000 3.934 229 K HA 0.240 4.563 4.320 0.004 0.000 0.239 229 K C -0.069 176.310 176.600 -0.368 0.000 1.230 229 K CA -0.072 56.112 56.287 -0.172 0.000 1.588 229 K CB 0.266 32.784 32.500 0.030 0.000 2.333 229 K HN -0.175 nan 8.250 nan 0.000 0.482 230 F N 1.419 121.380 119.950 0.018 0.000 2.556 230 F HA 0.428 4.957 4.527 0.002 0.000 0.327 230 F C -0.275 175.527 175.800 0.003 0.000 1.059 230 F CA -0.965 57.041 58.000 0.010 0.000 0.953 230 F CB 1.539 40.548 39.000 0.014 0.000 1.227 230 F HN 0.072 nan 8.300 nan 0.000 0.478 231 R N 0.209 120.825 120.500 0.193 0.000 2.637 231 R HA 0.643 4.985 4.340 0.004 0.000 0.291 231 R C -1.927 174.437 176.300 0.108 0.000 0.963 231 R CA -0.838 55.328 56.100 0.110 0.000 0.901 231 R CB 1.847 32.184 30.300 0.061 0.000 1.160 231 R HN 0.472 nan 8.270 nan 0.000 0.457 232 D N 3.104 123.542 120.400 0.064 0.000 2.375 232 D HA 0.039 4.681 4.640 0.004 0.000 0.259 232 D C -0.632 175.682 176.300 0.023 0.000 1.235 232 D CA -0.349 53.676 54.000 0.041 0.000 0.924 232 D CB 0.512 41.325 40.800 0.020 0.000 1.143 232 D HN 0.763 nan 8.370 nan 0.000 0.529 233 E N 2.494 122.711 120.200 0.027 0.000 2.230 233 E HA -0.293 4.059 4.350 0.004 0.000 0.206 233 E C 0.189 176.797 176.600 0.013 0.000 1.309 233 E CA 0.635 57.046 56.400 0.019 0.000 0.697 233 E CB -2.387 27.319 29.700 0.010 0.000 1.146 233 E HN 0.996 nan 8.360 nan 0.000 0.363 234 A N -0.701 122.129 122.820 0.018 0.000 2.799 234 A HA -0.240 4.082 4.320 0.004 0.000 0.287 234 A C 0.373 177.955 177.584 -0.003 0.000 1.484 234 A CA 1.783 53.826 52.037 0.009 0.000 0.813 234 A CB -2.083 16.921 19.000 0.008 0.000 1.009 234 A HN 0.846 nan 8.150 nan 0.000 0.545 235 T N 0.032 114.584 114.554 -0.003 0.000 2.786 235 T HA 0.467 4.819 4.350 0.004 0.000 0.283 235 T C 0.102 174.793 174.700 -0.016 0.000 0.992 235 T CA -0.175 61.911 62.100 -0.023 0.000 0.954 235 T CB 1.200 70.054 68.868 -0.023 0.000 0.934 235 T HN 0.537 nan 8.240 nan 0.000 0.440 236 c N 4.731 123.305 118.600 -0.044 0.000 2.482 236 c HA 0.440 5.013 4.570 0.004 0.000 0.378 236 c C 0.827 174.906 174.090 -0.017 0.000 1.284 236 c CA -0.680 55.637 56.329 -0.020 0.000 1.826 236 c CB -1.144 41.346 42.510 -0.034 0.000 2.473 236 c HN 0.783 nan 8.230 nan 0.000 0.562 237 K N 1.951 122.386 120.400 0.058 0.000 2.340 237 K HA 0.268 4.590 4.320 0.004 0.000 0.244 237 K C 0.189 176.877 176.600 0.147 0.000 0.973 237 K CA -0.799 55.533 56.287 0.076 0.000 0.828 237 K CB 1.413 33.952 32.500 0.064 0.000 1.226 237 K HN 0.416 nan 8.250 nan 0.000 0.437 238 D N 0.334 120.812 120.400 0.130 0.000 2.178 238 D HA -0.079 4.563 4.640 0.004 0.000 0.202 238 D C 0.233 176.680 176.300 0.244 0.000 0.974 238 D CA 1.513 55.612 54.000 0.165 0.000 0.841 238 D CB 0.449 41.318 40.800 0.116 0.000 0.953 238 D HN 0.396 nan 8.370 nan 0.000 0.478 239 T N -1.095 113.546 114.554 0.145 0.000 2.885 239 T HA 0.238 4.590 4.350 0.004 0.000 0.322 239 T C -1.027 173.566 174.700 -0.179 0.000 1.387 239 T CA -0.732 61.357 62.100 -0.018 0.000 1.041 239 T CB 0.856 69.706 68.868 -0.030 0.000 1.287 239 T HN -0.052 nan 8.240 nan 0.000 0.491 240 c N 4.923 123.234 118.600 -0.483 0.000 2.634 240 c HA 0.310 4.882 4.570 0.004 0.000 0.418 240 c C -2.013 171.962 174.090 -0.192 0.000 1.373 240 c CA -0.657 55.475 56.329 -0.328 0.000 1.756 240 c CB -0.472 41.787 42.510 -0.419 0.000 2.589 240 c HN 0.611 nan 8.230 nan 0.000 0.602 241 P HA 0.165 nan 4.420 nan 0.000 0.264 241 P C -2.328 174.900 177.300 -0.120 0.000 1.193 241 P CA -0.393 62.645 63.100 -0.102 0.000 0.763 241 P CB -0.030 31.617 31.700 -0.089 0.000 0.810 242 P HA 0.217 nan 4.420 nan 0.000 0.278 242 P C 0.511 177.753 177.300 -0.097 0.000 1.266 242 P CA -0.341 62.707 63.100 -0.087 0.000 0.807 242 P CB 0.779 32.445 31.700 -0.056 0.000 1.094 243 L N -0.972 120.201 121.223 -0.085 0.000 2.240 243 L HA 0.111 4.453 4.340 0.004 0.000 0.211 243 L C 1.008 177.841 176.870 -0.061 0.000 1.106 243 L CA 1.143 55.928 54.840 -0.092 0.000 0.793 243 L CB -0.285 41.746 42.059 -0.047 0.000 0.927 243 L HN 0.268 nan 8.230 nan 0.000 0.446 244 M N 0.509 120.083 119.600 -0.043 0.000 2.395 244 M HA 0.465 4.948 4.480 0.004 0.000 0.307 244 M C -1.044 175.240 176.300 -0.028 0.000 1.091 244 M CA -0.234 55.045 55.300 -0.035 0.000 0.919 244 M CB 2.709 35.294 32.600 -0.024 0.000 1.662 244 M HN -0.117 nan 8.290 nan 0.000 0.440 245 L N 1.681 122.887 121.223 -0.028 0.000 2.370 245 L HA 0.490 4.832 4.340 0.004 0.000 0.266 245 L C -0.853 176.022 176.870 0.009 0.000 1.002 245 L CA -1.042 53.795 54.840 -0.004 0.000 0.818 245 L CB 2.329 44.379 42.059 -0.014 0.000 1.325 245 L HN 0.556 nan 8.230 nan 0.000 0.418 246 Y N 2.919 123.182 120.300 -0.063 0.000 2.569 246 Y HA -0.006 4.545 4.550 0.003 0.000 0.332 246 Y C 0.437 176.300 175.900 -0.062 0.000 1.120 246 Y CA 0.324 58.387 58.100 -0.062 0.000 1.416 246 Y CB 0.349 38.767 38.460 -0.070 0.000 1.210 246 Y HN 0.487 nan 8.280 nan 0.000 0.528 247 N N 8.917 127.309 118.700 -0.512 0.000 2.420 247 N HA 0.144 4.886 4.740 0.004 0.000 0.249 247 N C -1.937 173.305 175.510 -0.447 0.000 1.033 247 N CA -1.730 51.110 53.050 -0.351 0.000 0.944 247 N CB 1.556 39.878 38.487 -0.274 0.000 1.113 247 N HN 0.469 nan 8.380 nan 0.000 0.502 248 P HA -0.081 nan 4.420 nan 0.000 0.219 248 P C 1.091 178.110 177.300 -0.467 0.000 1.146 248 P CA 1.223 64.222 63.100 -0.168 0.000 0.808 248 P CB 0.476 32.143 31.700 -0.055 0.000 0.779 249 T N -0.627 113.714 114.554 -0.356 0.000 2.852 249 T HA -0.026 4.326 4.350 0.004 0.000 0.256 249 T C 1.627 176.132 174.700 -0.324 0.000 1.038 249 T CA 1.820 63.723 62.100 -0.329 0.000 1.141 249 T CB -0.760 68.018 68.868 -0.150 0.000 0.869 249 T HN 0.166 nan 8.240 nan 0.000 0.439 250 T N 0.350 114.768 114.554 -0.226 0.000 3.055 250 T HA 0.024 4.376 4.350 0.004 0.000 0.265 250 T C 0.273 175.043 174.700 0.117 0.000 1.111 250 T CA 0.240 62.310 62.100 -0.050 0.000 1.118 250 T CB -0.435 68.392 68.868 -0.068 0.000 0.909 250 T HN 0.530 nan 8.240 nan 0.000 0.501 251 Y N 1.451 121.679 120.300 -0.121 0.000 4.177 251 Y HA -0.273 4.280 4.550 0.005 0.000 0.227 251 Y C 0.602 176.352 175.900 -0.249 0.000 1.154 251 Y CA 0.134 58.188 58.100 -0.078 0.000 1.887 251 Y CB -2.489 36.086 38.460 0.191 0.000 1.594 251 Y HN 0.474 nan 8.280 nan 0.000 0.668 252 Q N -2.846 116.658 119.800 -0.495 0.000 2.813 252 Q HA 0.661 5.003 4.340 0.004 0.000 0.338 252 Q C -0.668 175.076 176.000 -0.427 0.000 0.785 252 Q CA -1.245 54.290 55.803 -0.446 0.000 0.834 252 Q CB 0.379 28.911 28.738 -0.344 0.000 1.329 252 Q HN -0.043 nan 8.270 nan 0.000 0.511 253 M N 1.345 120.836 119.600 -0.183 0.000 2.245 253 M HA 0.457 4.939 4.480 0.004 0.000 0.344 253 M C -0.928 175.303 176.300 -0.116 0.000 1.170 253 M CA 0.525 55.761 55.300 -0.106 0.000 1.135 253 M CB -0.533 32.041 32.600 -0.044 0.000 1.574 253 M HN 0.602 nan 8.290 nan 0.000 0.452 254 D N 0.605 120.947 120.400 -0.096 0.000 2.753 254 D HA 0.365 5.007 4.640 0.004 0.000 0.224 254 D C -1.045 175.219 176.300 -0.060 0.000 1.213 254 D CA -0.376 53.576 54.000 -0.080 0.000 0.833 254 D CB 2.089 42.832 40.800 -0.096 0.000 1.607 254 D HN 0.290 nan 8.370 nan 0.000 0.463 255 V N 2.109 121.994 119.914 -0.049 0.000 2.555 255 V HA -0.044 4.078 4.120 0.004 0.000 0.299 255 V C 0.837 176.899 176.094 -0.055 0.000 1.012 255 V CA -0.313 61.959 62.300 -0.046 0.000 1.180 255 V CB -0.540 31.261 31.823 -0.038 0.000 0.887 255 V HN 0.459 nan 8.190 nan 0.000 0.476 256 N N 8.333 126.996 118.700 -0.062 0.000 2.431 256 N HA 0.156 4.898 4.740 0.004 0.000 0.265 256 N C -0.718 174.748 175.510 -0.073 0.000 1.184 256 N CA -1.849 51.162 53.050 -0.065 0.000 0.943 256 N CB 1.223 39.668 38.487 -0.070 0.000 1.080 256 N HN 0.370 nan 8.380 nan 0.000 0.477 257 P HA -0.120 nan 4.420 nan 0.000 0.214 257 P C 0.753 178.010 177.300 -0.071 0.000 1.162 257 P CA 1.692 64.756 63.100 -0.059 0.000 0.879 257 P CB -0.162 31.511 31.700 -0.045 0.000 0.786 258 E N 0.911 121.071 120.200 -0.066 0.000 2.533 258 E HA 0.138 4.490 4.350 0.004 0.000 0.201 258 E C 1.291 177.832 176.600 -0.098 0.000 1.097 258 E CA 0.539 56.897 56.400 -0.070 0.000 0.887 258 E CB -1.398 28.270 29.700 -0.053 0.000 0.855 258 E HN 0.440 nan 8.360 nan 0.000 0.540 259 G N -0.105 108.619 108.800 -0.127 0.000 2.606 259 G HA2 0.477 4.439 3.960 0.004 0.000 0.252 259 G HA3 0.477 4.439 3.960 0.004 0.000 0.252 259 G C -0.102 174.638 174.900 -0.265 0.000 1.206 259 G CA -0.256 44.739 45.100 -0.175 0.000 0.861 259 G HN 0.305 nan 8.290 nan 0.000 0.561 260 K N -0.308 119.913 120.400 -0.298 0.000 2.523 260 K HA 0.289 4.611 4.320 0.004 0.000 0.257 260 K C -1.273 175.136 176.600 -0.319 0.000 0.932 260 K CA -0.638 55.447 56.287 -0.338 0.000 0.812 260 K CB 2.111 34.511 32.500 -0.167 0.000 1.326 260 K HN 0.566 nan 8.250 nan 0.000 0.433 261 Y N 0.472 120.749 120.300 -0.038 0.000 2.314 261 Y HA 0.164 4.716 4.550 0.005 0.000 0.334 261 Y C 1.034 176.922 175.900 -0.019 0.000 1.266 261 Y CA -0.233 57.851 58.100 -0.027 0.000 1.391 261 Y CB 1.181 39.632 38.460 -0.015 0.000 1.306 261 Y HN 0.482 nan 8.280 nan 0.000 0.558 262 S N 2.192 117.999 115.700 0.178 0.000 2.454 262 S HA 0.642 5.114 4.470 0.004 0.000 0.306 262 S C -1.328 173.424 174.600 0.253 0.000 1.100 262 S CA -0.598 57.673 58.200 0.119 0.000 1.087 262 S CB 0.925 64.102 63.200 -0.038 0.000 1.019 262 S HN 0.545 nan 8.310 nan 0.000 0.480 263 F N 3.289 123.286 119.950 0.077 0.000 2.730 263 F HA 0.606 5.135 4.527 0.002 0.000 0.335 263 F C 0.554 176.384 175.800 0.051 0.000 1.212 263 F CA 0.621 58.627 58.000 0.009 0.000 1.016 263 F CB 0.888 39.833 39.000 -0.092 0.000 1.290 263 F HN 1.233 nan 8.300 nan 0.000 0.495 264 G N 3.899 112.456 108.800 -0.405 0.000 2.583 264 G HA2 -0.126 3.836 3.960 0.004 0.000 0.292 264 G HA3 -0.126 3.836 3.960 0.004 0.000 0.292 264 G C 0.421 175.271 174.900 -0.083 0.000 1.203 264 G CA 0.217 45.108 45.100 -0.349 0.000 0.987 264 G HN 1.793 nan 8.290 nan 0.000 0.554 265 A N -0.076 122.672 122.820 -0.120 0.000 2.797 265 A HA 0.656 4.978 4.320 0.004 0.000 0.287 265 A C 0.628 178.280 177.584 0.113 0.000 1.369 265 A CA 1.509 53.468 52.037 -0.129 0.000 0.968 265 A CB -0.166 18.712 19.000 -0.204 0.000 1.069 265 A HN 1.197 nan 8.150 nan 0.000 0.571 266 T N -0.411 114.304 114.554 0.268 0.000 2.912 266 T HA 0.419 4.771 4.350 0.004 0.000 0.299 266 T C -0.885 173.970 174.700 0.258 0.000 1.052 266 T CA -0.264 61.980 62.100 0.240 0.000 0.996 266 T CB 1.091 70.061 68.868 0.171 0.000 1.070 266 T HN 0.268 nan 8.240 nan 0.000 0.465 267 c N 2.993 121.692 118.600 0.166 0.000 2.329 267 c HA 0.899 5.471 4.570 0.004 0.000 0.329 267 c C -0.087 174.043 174.090 0.067 0.000 1.275 267 c CA -0.706 55.665 56.329 0.069 0.000 1.726 267 c CB 0.309 42.820 42.510 0.001 0.000 2.291 267 c HN 0.684 nan 8.230 nan 0.000 0.514 268 V N 3.386 123.336 119.914 0.061 0.000 2.888 268 V HA 0.365 4.487 4.120 0.004 0.000 0.309 268 V C 0.492 176.608 176.094 0.037 0.000 1.114 268 V CA -0.400 61.937 62.300 0.060 0.000 0.940 268 V CB 2.166 34.043 31.823 0.091 0.000 1.021 268 V HN 0.952 nan 8.190 nan 0.000 0.426 269 K N 2.122 122.532 120.400 0.016 0.000 2.243 269 K HA 0.219 4.541 4.320 0.004 0.000 0.201 269 K C 0.261 176.923 176.600 0.103 0.000 1.051 269 K CA 0.769 57.052 56.287 -0.007 0.000 0.970 269 K CB 0.299 32.785 32.500 -0.023 0.000 0.755 269 K HN 0.469 nan 8.250 nan 0.000 0.465 270 K N 0.270 120.730 120.400 0.099 0.000 2.468 270 K HA 0.244 4.567 4.320 0.004 0.000 0.252 270 K C -1.004 175.591 176.600 -0.008 0.000 0.932 270 K CA -0.739 55.611 56.287 0.104 0.000 0.794 270 K CB 2.440 34.965 32.500 0.042 0.000 1.241 270 K HN -0.028 nan 8.250 nan 0.000 0.428 271 c N 3.582 122.137 118.600 -0.075 0.000 2.679 271 c HA 0.137 4.709 4.570 0.004 0.000 0.417 271 c C -1.517 172.425 174.090 -0.246 0.000 1.302 271 c CA -1.043 55.134 56.329 -0.253 0.000 1.973 271 c CB -0.997 41.381 42.510 -0.220 0.000 2.715 271 c HN 0.622 nan 8.230 nan 0.000 0.628 272 P HA 0.221 nan 4.420 nan 0.000 0.269 272 P C 0.001 177.300 177.300 -0.002 0.000 1.217 272 P CA 0.143 63.097 63.100 -0.243 0.000 0.783 272 P CB 0.292 31.735 31.700 -0.427 0.000 0.898 273 R N 1.445 121.956 120.500 0.019 0.000 2.566 273 R HA -0.073 4.269 4.340 0.004 0.000 0.273 273 R C 0.956 177.291 176.300 0.059 0.000 0.981 273 R CA 0.891 57.008 56.100 0.029 0.000 1.091 273 R CB -1.885 28.421 30.300 0.010 0.000 0.924 273 R HN 0.715 nan 8.270 nan 0.000 0.411 274 N N -1.732 116.972 118.700 0.007 0.000 2.829 274 N HA -0.174 4.568 4.740 0.004 0.000 0.250 274 N C -1.247 174.178 175.510 -0.141 0.000 1.090 274 N CA 1.416 54.428 53.050 -0.063 0.000 0.781 274 N CB -1.882 36.547 38.487 -0.096 0.000 1.124 274 N HN 0.803 nan 8.380 nan 0.000 0.559 275 Y N -0.538 119.705 120.300 -0.095 0.000 2.487 275 Y HA 0.690 5.243 4.550 0.005 0.000 0.337 275 Y C 0.534 176.368 175.900 -0.110 0.000 1.076 275 Y CA -0.834 57.207 58.100 -0.099 0.000 1.115 275 Y CB 1.382 39.750 38.460 -0.154 0.000 1.235 275 Y HN -0.203 nan 8.280 nan 0.000 0.468 276 V N 2.948 122.903 119.914 0.068 0.000 2.715 276 V HA 0.431 4.553 4.120 0.004 0.000 0.310 276 V C -0.828 175.237 176.094 -0.049 0.000 1.054 276 V CA -1.048 61.237 62.300 -0.024 0.000 0.928 276 V CB 1.969 33.772 31.823 -0.033 0.000 1.007 276 V HN 0.443 nan 8.190 nan 0.000 0.437 277 V N 3.253 123.075 119.914 -0.155 0.000 2.383 277 V HA 0.339 4.461 4.120 0.004 0.000 0.275 277 V C 0.694 176.727 176.094 -0.103 0.000 1.036 277 V CA -0.389 61.781 62.300 -0.217 0.000 0.889 277 V CB 1.568 33.069 31.823 -0.536 0.000 0.985 277 V HN 1.099 nan 8.190 nan 0.000 0.459 278 T N 0.448 115.002 114.554 0.000 0.000 2.813 278 T HA 0.064 4.416 4.350 0.004 0.000 0.297 278 T C 0.858 175.565 174.700 0.013 0.000 1.036 278 T CA -0.465 61.679 62.100 0.073 0.000 1.044 278 T CB 0.638 69.672 68.868 0.277 0.000 0.993 278 T HN 0.661 nan 8.240 nan 0.000 0.535 279 D N -0.190 120.136 120.400 -0.124 0.000 2.400 279 D HA -0.091 4.551 4.640 0.004 0.000 0.242 279 D C 0.883 176.931 176.300 -0.420 0.000 1.077 279 D CA 0.662 54.490 54.000 -0.286 0.000 0.943 279 D CB 0.016 40.613 40.800 -0.338 0.000 0.882 279 D HN 0.676 nan 8.370 nan 0.000 0.529 280 H N -2.188 116.897 119.070 0.027 0.000 3.170 280 H HA 0.253 4.811 4.556 0.003 0.000 0.264 280 H C 1.354 176.718 175.328 0.059 0.000 1.113 280 H CA 0.542 56.611 56.048 0.036 0.000 1.194 280 H CB 1.432 31.214 29.762 0.032 0.000 1.553 280 H HN 0.135 nan 8.280 nan 0.000 0.538 281 G N 2.390 111.306 108.800 0.194 0.000 2.142 281 G HA2 -0.277 3.685 3.960 0.004 0.000 0.225 281 G HA3 -0.277 3.685 3.960 0.004 0.000 0.225 281 G C 0.081 175.119 174.900 0.230 0.000 1.015 281 G CA 0.303 45.560 45.100 0.262 0.000 0.716 281 G HN 0.555 nan 8.290 nan 0.000 0.508 282 S N -1.223 114.572 115.700 0.159 0.000 2.482 282 S HA 0.659 5.131 4.470 0.004 0.000 0.303 282 S C 0.278 174.940 174.600 0.103 0.000 1.091 282 S CA -0.565 57.718 58.200 0.139 0.000 1.057 282 S CB 2.099 65.373 63.200 0.125 0.000 1.031 282 S HN 0.811 nan 8.310 nan 0.000 0.485 283 c N 3.576 122.254 118.600 0.130 0.000 2.566 283 c HA 0.649 5.221 4.570 0.004 0.000 0.393 283 c C 0.513 174.769 174.090 0.276 0.000 1.309 283 c CA -0.374 56.025 56.329 0.117 0.000 1.801 283 c CB -1.243 41.242 42.510 -0.041 0.000 2.493 283 c HN 0.740 nan 8.230 nan 0.000 0.575 284 V N 4.613 124.714 119.914 0.311 0.000 3.074 284 V HA 0.429 4.552 4.120 0.004 0.000 0.314 284 V C 0.991 177.265 176.094 0.300 0.000 1.117 284 V CA -0.746 61.751 62.300 0.327 0.000 1.014 284 V CB 1.938 33.854 31.823 0.156 0.000 1.057 284 V HN 0.830 nan 8.190 nan 0.000 0.438 285 R N 0.711 121.258 120.500 0.077 0.000 2.115 285 R HA 0.390 4.732 4.340 0.004 0.000 0.226 285 R C 0.345 176.540 176.300 -0.176 0.000 1.100 285 R CA 1.233 57.167 56.100 -0.277 0.000 0.980 285 R CB 0.224 30.374 30.300 -0.250 0.000 0.875 285 R HN 0.827 nan 8.270 nan 0.000 0.445 286 A N -0.940 121.843 122.820 -0.062 0.000 2.599 286 A HA 0.317 4.639 4.320 0.004 0.000 0.294 286 A C -1.090 176.489 177.584 -0.008 0.000 1.055 286 A CA -0.944 51.067 52.037 -0.044 0.000 0.683 286 A CB 0.685 19.652 19.000 -0.055 0.000 1.278 286 A HN 0.154 nan 8.150 nan 0.000 0.412 287 c N 1.432 120.030 118.600 -0.002 0.000 2.653 287 c HA 0.502 5.074 4.570 0.004 0.000 0.421 287 c C 1.639 175.744 174.090 0.027 0.000 1.334 287 c CA 0.679 57.016 56.329 0.013 0.000 1.885 287 c CB -0.391 42.126 42.510 0.011 0.000 2.645 287 c HN 1.185 nan 8.230 nan 0.000 0.601 288 G N 2.943 111.765 108.800 0.037 0.000 2.414 288 G HA2 0.419 4.381 3.960 0.004 0.000 0.236 288 G HA3 0.419 4.381 3.960 0.004 0.000 0.236 288 G C 0.384 175.312 174.900 0.047 0.000 1.293 288 G CA 0.200 45.325 45.100 0.042 0.000 0.869 288 G HN 1.292 nan 8.290 nan 0.000 0.556 289 A N 1.740 124.584 122.820 0.041 0.000 2.536 289 A HA 0.401 4.723 4.320 0.004 0.000 0.234 289 A C 1.297 178.912 177.584 0.052 0.000 1.076 289 A CA 1.230 53.293 52.037 0.044 0.000 0.769 289 A CB 0.055 19.074 19.000 0.032 0.000 1.020 289 A HN 1.209 nan 8.150 nan 0.000 0.508 290 D N -2.040 118.395 120.400 0.057 0.000 2.330 290 D HA -0.158 4.484 4.640 0.004 0.000 0.168 290 D C 0.303 176.658 176.300 0.092 0.000 0.992 290 D CA 2.033 56.070 54.000 0.062 0.000 1.025 290 D CB -1.586 39.246 40.800 0.053 0.000 1.089 290 D HN 1.402 nan 8.370 nan 0.000 0.487 291 S N -1.265 114.500 115.700 0.109 0.000 2.720 291 S HA 0.805 5.277 4.470 0.004 0.000 0.287 291 S C -0.806 173.925 174.600 0.218 0.000 1.168 291 S CA -0.329 57.962 58.200 0.152 0.000 0.832 291 S CB 2.654 65.890 63.200 0.060 0.000 1.166 291 S HN 0.603 nan 8.310 nan 0.000 0.493 292 Y N -1.279 119.022 120.300 0.002 0.000 2.638 292 Y HA 0.723 5.276 4.550 0.004 0.000 0.335 292 Y C -0.966 174.931 175.900 -0.006 0.000 1.155 292 Y CA -1.037 57.062 58.100 -0.002 0.000 1.046 292 Y CB 0.909 39.369 38.460 -0.000 0.000 1.303 292 Y HN 0.852 nan 8.280 nan 0.000 0.460 293 E N 2.654 122.872 120.200 0.029 0.000 2.283 293 E HA 0.588 4.940 4.350 0.004 0.000 0.278 293 E C -0.955 175.609 176.600 -0.060 0.000 1.027 293 E CA -0.512 55.843 56.400 -0.075 0.000 0.843 293 E CB 0.943 30.638 29.700 -0.009 0.000 1.062 293 E HN 0.714 nan 8.360 nan 0.000 0.401 294 M N 1.466 120.976 119.600 -0.149 0.000 3.517 294 M HA 0.500 4.982 4.480 0.004 0.000 0.293 294 M C -1.488 174.769 176.300 -0.073 0.000 1.404 294 M CA -0.883 54.374 55.300 -0.072 0.000 0.837 294 M CB 1.503 34.049 32.600 -0.089 0.000 1.756 294 M HN 0.251 nan 8.290 nan 0.000 0.474 295 E N 0.344 120.520 120.200 -0.040 0.000 2.291 295 E HA 0.440 4.792 4.350 0.004 0.000 0.276 295 E C -2.028 174.561 176.600 -0.018 0.000 0.896 295 E CA -0.462 55.919 56.400 -0.031 0.000 0.774 295 E CB 1.780 31.471 29.700 -0.016 0.000 1.227 295 E HN 0.719 nan 8.360 nan 0.000 0.413 296 E N 4.678 124.868 120.200 -0.017 0.000 2.246 296 E HA 0.304 4.656 4.350 0.004 0.000 0.266 296 E C -1.113 175.491 176.600 0.007 0.000 0.880 296 E CA -0.894 55.505 56.400 -0.002 0.000 0.762 296 E CB 1.209 30.909 29.700 -0.001 0.000 1.180 296 E HN 0.435 nan 8.360 nan 0.000 0.416 297 D N 2.663 123.069 120.400 0.010 0.000 4.288 297 D HA -0.139 4.503 4.640 0.004 0.000 0.234 297 D C 0.774 177.083 176.300 0.015 0.000 1.054 297 D CA 1.393 55.402 54.000 0.015 0.000 1.227 297 D CB -0.591 40.224 40.800 0.025 0.000 0.788 297 D HN 1.044 nan 8.370 nan 0.000 0.393 298 G N 1.282 110.087 108.800 0.008 0.000 2.306 298 G HA2 -0.127 3.835 3.960 0.004 0.000 0.293 298 G HA3 -0.127 3.835 3.960 0.004 0.000 0.293 298 G C 0.342 175.242 174.900 0.001 0.000 0.764 298 G CA 0.660 45.762 45.100 0.004 0.000 0.883 298 G HN 0.518 nan 8.290 nan 0.000 0.479 299 V N -0.548 119.362 119.914 -0.008 0.000 2.524 299 V HA 0.732 4.854 4.120 0.004 0.000 0.297 299 V C 0.564 176.622 176.094 -0.060 0.000 1.035 299 V CA -0.440 61.840 62.300 -0.032 0.000 0.867 299 V CB 1.394 33.215 31.823 -0.004 0.000 1.004 299 V HN 0.781 nan 8.190 nan 0.000 0.426 300 R N 4.040 124.494 120.500 -0.076 0.000 2.389 300 R HA 0.687 5.029 4.340 0.004 0.000 0.295 300 R C -0.123 176.103 176.300 -0.123 0.000 1.075 300 R CA -0.162 55.889 56.100 -0.082 0.000 1.005 300 R CB 0.201 30.463 30.300 -0.063 0.000 0.987 300 R HN 0.773 nan 8.270 nan 0.000 0.452 301 K N 1.013 121.335 120.400 -0.130 0.000 2.443 301 K HA 0.510 4.832 4.320 0.004 0.000 0.251 301 K C -1.103 175.391 176.600 -0.175 0.000 0.972 301 K CA -0.841 55.355 56.287 -0.152 0.000 0.833 301 K CB 2.285 34.700 32.500 -0.141 0.000 1.317 301 K HN 0.590 nan 8.250 nan 0.000 0.441 302 c N 2.523 121.031 118.600 -0.154 0.000 2.325 302 c HA 0.358 4.930 4.570 0.004 0.000 0.347 302 c C 0.097 174.055 174.090 -0.220 0.000 1.263 302 c CA -0.811 55.411 56.329 -0.178 0.000 1.806 302 c CB -0.621 41.840 42.510 -0.082 0.000 2.405 302 c HN 0.496 nan 8.230 nan 0.000 0.537 303 K N 2.234 122.407 120.400 -0.380 0.000 2.166 303 K HA 0.432 4.755 4.320 0.004 0.000 0.245 303 K C -0.267 176.255 176.600 -0.130 0.000 0.967 303 K CA -0.686 55.431 56.287 -0.283 0.000 0.863 303 K CB 1.378 33.665 32.500 -0.356 0.000 1.107 303 K HN 0.750 nan 8.250 nan 0.000 0.436 304 K N -0.558 119.845 120.400 0.005 0.000 2.249 304 K HA 0.274 4.596 4.320 0.004 0.000 0.280 304 K C -0.485 176.239 176.600 0.207 0.000 1.033 304 K CA -0.404 55.939 56.287 0.093 0.000 0.946 304 K CB 0.524 33.053 32.500 0.049 0.000 1.005 304 K HN 0.332 nan 8.250 nan 0.000 0.469 305 c N 3.165 121.899 118.600 0.223 0.000 2.596 305 c HA -0.007 4.565 4.570 0.004 0.000 0.414 305 c C 0.484 174.622 174.090 0.081 0.000 1.396 305 c CA -0.050 56.373 56.329 0.157 0.000 1.698 305 c CB -1.020 41.536 42.510 0.077 0.000 2.572 305 c HN 0.824 nan 8.230 nan 0.000 0.604 306 E N 1.782 122.008 120.200 0.044 0.000 1.963 306 E HA 0.446 4.798 4.350 0.004 0.000 0.274 306 E C 0.734 177.330 176.600 -0.007 0.000 1.061 306 E CA 0.500 56.914 56.400 0.023 0.000 0.847 306 E CB 0.133 29.848 29.700 0.026 0.000 1.083 306 E HN 1.039 nan 8.360 nan 0.000 0.402 307 G N 4.685 113.485 108.800 0.000 0.000 2.681 307 G HA2 -0.228 3.734 3.960 0.004 0.000 0.220 307 G HA3 -0.228 3.734 3.960 0.004 0.000 0.220 307 G C -2.462 172.432 174.900 -0.010 0.000 1.353 307 G CA -1.078 44.017 45.100 -0.008 0.000 0.872 307 G HN 0.492 nan 8.290 nan 0.000 0.557 308 P HA 0.398 nan 4.420 nan 0.000 0.268 308 P C 0.510 177.794 177.300 -0.027 0.000 1.205 308 P CA -0.339 62.755 63.100 -0.010 0.000 0.771 308 P CB 0.467 32.163 31.700 -0.005 0.000 0.858 309 c N 3.193 121.783 118.600 -0.018 0.000 2.679 309 c HA 0.104 4.677 4.570 0.004 0.000 0.417 309 c C 1.397 175.461 174.090 -0.044 0.000 1.302 309 c CA -0.273 56.033 56.329 -0.038 0.000 1.973 309 c CB -0.910 41.601 42.510 0.003 0.000 2.715 309 c HN 0.608 nan 8.230 nan 0.000 0.628 310 R N 2.678 123.129 120.500 -0.081 0.000 2.502 310 R HA 0.130 4.472 4.340 0.004 0.000 0.292 310 R C -0.213 176.076 176.300 -0.019 0.000 0.998 310 R CA 0.893 56.959 56.100 -0.057 0.000 1.056 310 R CB 0.195 30.445 30.300 -0.083 0.000 0.939 310 R HN 0.788 nan 8.270 nan 0.000 0.411 311 K N 3.830 124.230 120.400 0.001 0.000 2.513 311 K HA 0.305 4.627 4.320 0.004 0.000 0.251 311 K C -1.672 174.945 176.600 0.028 0.000 0.939 311 K CA -0.828 55.468 56.287 0.015 0.000 0.793 311 K CB 1.997 34.511 32.500 0.023 0.000 1.241 311 K HN 0.385 nan 8.250 nan 0.000 0.431 312 V N 3.676 123.604 119.914 0.024 0.000 2.483 312 V HA 0.475 4.598 4.120 0.004 0.000 0.295 312 V C -0.590 175.525 176.094 0.036 0.000 1.035 312 V CA -0.609 61.711 62.300 0.034 0.000 0.896 312 V CB 1.309 33.144 31.823 0.021 0.000 0.986 312 V HN 0.858 nan 8.190 nan 0.000 0.447 313 c N 3.833 122.474 118.600 0.069 0.000 2.547 313 c HA 0.458 5.030 4.570 0.004 0.000 0.313 313 c C 0.117 174.279 174.090 0.120 0.000 1.191 313 c CA -1.461 54.910 56.329 0.071 0.000 1.474 313 c CB 1.385 43.940 42.510 0.076 0.000 2.081 313 c HN 0.844 nan 8.230 nan 0.000 0.476 314 N N 1.270 120.024 118.700 0.091 0.000 2.353 314 N HA 0.170 4.912 4.740 0.004 0.000 0.248 314 N C 0.545 176.262 175.510 0.344 0.000 1.240 314 N CA 0.625 53.763 53.050 0.146 0.000 0.862 314 N CB 0.676 39.174 38.487 0.018 0.000 1.086 314 N HN 0.975 nan 8.380 nan 0.000 0.453 315 G N 0.653 109.599 108.800 0.244 0.000 2.621 315 G HA2 0.342 4.304 3.960 0.004 0.000 0.271 315 G HA3 0.342 4.304 3.960 0.004 0.000 0.271 315 G C 0.241 175.296 174.900 0.257 0.000 1.236 315 G CA -0.579 44.655 45.100 0.224 0.000 0.958 315 G HN 0.497 nan 8.290 nan 0.000 0.512 316 I N 0.858 121.469 120.570 0.068 0.000 2.668 316 I HA 0.324 4.496 4.170 0.004 0.000 0.285 316 I C 1.396 177.493 176.117 -0.034 0.000 1.168 316 I CA 2.370 63.659 61.300 -0.018 0.000 1.424 316 I CB 0.963 38.842 38.000 -0.203 0.000 1.377 316 I HN 0.900 nan 8.210 nan 0.000 0.560 317 G N 5.633 114.464 108.800 0.051 0.000 2.697 317 G HA2 -0.161 3.801 3.960 0.004 0.000 0.200 317 G HA3 -0.161 3.801 3.960 0.004 0.000 0.200 317 G C 0.166 175.096 174.900 0.051 0.000 1.106 317 G CA -0.495 44.616 45.100 0.018 0.000 0.748 317 G HN 0.436 nan 8.290 nan 0.000 0.503 318 I N 1.897 122.514 120.570 0.078 0.000 2.566 318 I HA 0.578 4.750 4.170 0.004 0.000 0.303 318 I C 1.456 177.554 176.117 -0.033 0.000 0.983 318 I CA 0.363 61.681 61.300 0.030 0.000 1.235 318 I CB 1.404 39.422 38.000 0.030 0.000 1.386 318 I HN 1.218 nan 8.210 nan 0.000 0.494 319 G N 3.871 112.605 108.800 -0.110 0.000 2.531 319 G HA2 -0.311 3.651 3.960 0.004 0.000 0.274 319 G HA3 -0.311 3.651 3.960 0.004 0.000 0.274 319 G C 0.597 175.287 174.900 -0.350 0.000 1.159 319 G CA 0.495 45.457 45.100 -0.231 0.000 0.969 319 G HN 0.641 nan 8.290 nan 0.000 0.554 320 E N 0.554 120.369 120.200 -0.642 0.000 2.219 320 E HA -0.026 4.327 4.350 0.004 0.000 0.198 320 E C 1.836 178.077 176.600 -0.600 0.000 0.998 320 E CA 2.074 58.006 56.400 -0.780 0.000 0.818 320 E CB -0.264 28.685 29.700 -1.252 0.000 0.741 320 E HN 0.537 nan 8.360 nan 0.000 0.477 321 F N 0.474 120.343 119.950 -0.135 0.000 2.668 321 F HA 0.245 4.774 4.527 0.004 0.000 0.297 321 F C 0.700 176.464 175.800 -0.059 0.000 1.124 321 F CA -0.819 57.135 58.000 -0.077 0.000 1.353 321 F CB 0.064 39.040 39.000 -0.041 0.000 0.992 321 F HN -0.244 nan 8.300 nan 0.000 0.524 322 K N 1.686 122.096 120.400 0.018 0.000 2.451 322 K HA -0.050 4.272 4.320 0.004 0.000 0.280 322 K C 0.039 176.656 176.600 0.029 0.000 1.020 322 K CA 0.601 56.895 56.287 0.012 0.000 1.008 322 K CB 0.183 32.666 32.500 -0.028 0.000 0.917 322 K HN 0.220 nan 8.250 nan 0.000 0.478 323 D N 1.328 121.745 120.400 0.028 0.000 3.091 323 D HA -0.132 4.510 4.640 0.004 0.000 0.216 323 D C -1.149 175.172 176.300 0.034 0.000 1.129 323 D CA 0.996 55.012 54.000 0.028 0.000 0.913 323 D CB -1.229 39.587 40.800 0.027 0.000 1.101 323 D HN 0.390 nan 8.370 nan 0.000 0.426 324 S N -0.281 115.440 115.700 0.035 0.000 2.475 324 S HA 0.512 4.984 4.470 0.004 0.000 0.298 324 S C 1.650 176.232 174.600 -0.031 0.000 1.119 324 S CA -0.791 57.427 58.200 0.030 0.000 1.085 324 S CB 1.980 65.228 63.200 0.080 0.000 1.028 324 S HN 0.117 nan 8.310 nan 0.000 0.489 325 L N 1.657 122.870 121.223 -0.016 0.000 2.127 325 L HA 0.113 4.455 4.340 0.004 0.000 0.203 325 L C 1.200 178.037 176.870 -0.055 0.000 1.080 325 L CA 0.488 55.313 54.840 -0.025 0.000 0.768 325 L CB -0.211 41.869 42.059 0.036 0.000 0.924 325 L HN 0.728 nan 8.230 nan 0.000 0.444 326 S N -1.671 114.009 115.700 -0.033 0.000 2.685 326 S HA 0.460 4.933 4.470 0.004 0.000 0.282 326 S C -0.360 174.197 174.600 -0.072 0.000 1.159 326 S CA -0.890 57.288 58.200 -0.037 0.000 0.833 326 S CB 1.499 64.707 63.200 0.014 0.000 1.151 326 S HN -0.017 nan 8.310 nan 0.000 0.485 327 I N 3.288 123.798 120.570 -0.100 0.000 2.826 327 I HA 0.097 4.269 4.170 0.004 0.000 0.295 327 I C 0.158 176.190 176.117 -0.141 0.000 1.213 327 I CA 0.741 61.955 61.300 -0.144 0.000 1.436 327 I CB -1.145 36.728 38.000 -0.211 0.000 1.348 327 I HN 0.919 nan 8.210 nan 0.000 0.570 328 N N 4.026 122.669 118.700 -0.096 0.000 3.116 328 N HA 0.349 5.092 4.740 0.004 0.000 0.244 328 N C 0.011 175.490 175.510 -0.051 0.000 1.485 328 N CA -0.229 52.755 53.050 -0.109 0.000 0.884 328 N CB 0.873 39.315 38.487 -0.076 0.000 1.415 328 N HN 0.366 nan 8.380 nan 0.000 0.524 329 A N -0.302 122.486 122.820 -0.054 0.000 1.948 329 A HA -0.122 4.200 4.320 0.004 0.000 0.220 329 A C 1.692 179.284 177.584 0.013 0.000 1.177 329 A CA 2.507 54.530 52.037 -0.024 0.000 0.636 329 A CB -1.535 17.452 19.000 -0.021 0.000 0.815 329 A HN 0.769 nan 8.150 nan 0.000 0.449 330 T N 1.022 115.601 114.554 0.041 0.000 2.732 330 T HA -0.130 4.222 4.350 0.004 0.000 0.261 330 T C 1.725 176.509 174.700 0.141 0.000 1.040 330 T CA 1.661 63.809 62.100 0.081 0.000 1.145 330 T CB -0.471 68.457 68.868 0.100 0.000 0.866 330 T HN 0.877 nan 8.240 nan 0.000 0.427 331 N N 1.149 119.965 118.700 0.194 0.000 2.424 331 N HA 0.118 4.860 4.740 0.004 0.000 0.178 331 N C 1.680 177.398 175.510 0.347 0.000 1.060 331 N CA 0.224 53.504 53.050 0.383 0.000 0.901 331 N CB -0.711 38.005 38.487 0.382 0.000 0.979 331 N HN 0.406 nan 8.380 nan 0.000 0.451 332 I N 1.275 121.957 120.570 0.187 0.000 2.286 332 I HA -0.304 3.868 4.170 0.004 0.000 0.248 332 I C 2.066 178.315 176.117 0.220 0.000 1.115 332 I CA 1.269 62.699 61.300 0.216 0.000 1.392 332 I CB -0.098 37.925 38.000 0.038 0.000 1.065 332 I HN 0.257 nan 8.210 nan 0.000 0.418 333 K N -0.282 120.145 120.400 0.044 0.000 2.127 333 K HA -0.279 4.043 4.320 0.004 0.000 0.208 333 K C 1.634 178.211 176.600 -0.038 0.000 1.047 333 K CA 1.866 58.119 56.287 -0.056 0.000 0.927 333 K CB -0.979 31.411 32.500 -0.183 0.000 0.716 333 K HN 0.479 nan 8.250 nan 0.000 0.450 334 H N -0.774 118.375 119.070 0.130 0.000 2.567 334 H HA -0.009 4.549 4.556 0.004 0.000 0.276 334 H C 0.700 175.993 175.328 -0.059 0.000 1.016 334 H CA 0.733 56.812 56.048 0.051 0.000 1.186 334 H CB -0.169 29.659 29.762 0.110 0.000 1.351 334 H HN 0.299 nan 8.280 nan 0.000 0.605 335 F N 0.279 120.339 119.950 0.183 0.000 2.695 335 F HA 0.107 4.637 4.527 0.004 0.000 0.303 335 F C 1.328 177.159 175.800 0.050 0.000 1.091 335 F CA -0.253 57.811 58.000 0.107 0.000 1.300 335 F CB 0.580 39.589 39.000 0.013 0.000 1.071 335 F HN -0.253 nan 8.300 nan 0.000 0.578 336 K N 1.858 122.357 120.400 0.165 0.000 2.453 336 K HA -0.075 4.247 4.320 0.004 0.000 0.280 336 K C 0.344 176.991 176.600 0.079 0.000 1.045 336 K CA 0.555 56.897 56.287 0.092 0.000 1.059 336 K CB -0.036 32.492 32.500 0.046 0.000 0.901 336 K HN 0.278 nan 8.250 nan 0.000 0.475 337 N N 0.633 119.373 118.700 0.066 0.000 2.984 337 N HA -0.189 4.554 4.740 0.004 0.000 0.227 337 N C -0.444 175.104 175.510 0.063 0.000 0.903 337 N CA 0.866 53.945 53.050 0.049 0.000 0.995 337 N CB -2.006 36.503 38.487 0.036 0.000 1.065 337 N HN 0.542 nan 8.380 nan 0.000 0.585 338 c N 0.182 118.846 118.600 0.107 0.000 2.676 338 c HA 0.326 4.898 4.570 0.004 0.000 0.416 338 c C 2.079 176.225 174.090 0.092 0.000 1.299 338 c CA 0.157 56.559 56.329 0.122 0.000 2.048 338 c CB 0.770 43.414 42.510 0.224 0.000 2.713 338 c HN 0.429 nan 8.230 nan 0.000 0.624 339 T N 0.032 114.629 114.554 0.071 0.000 3.028 339 T HA 0.099 4.451 4.350 0.004 0.000 0.250 339 T C 0.395 175.127 174.700 0.052 0.000 0.979 339 T CA 0.515 62.642 62.100 0.044 0.000 1.004 339 T CB 0.168 69.044 68.868 0.014 0.000 1.120 339 T HN 0.687 nan 8.240 nan 0.000 0.482 340 S N 0.649 116.386 115.700 0.063 0.000 2.557 340 S HA 0.697 5.169 4.470 0.004 0.000 0.291 340 S C -1.343 173.313 174.600 0.094 0.000 1.116 340 S CA -0.675 57.563 58.200 0.063 0.000 0.992 340 S CB 0.642 63.865 63.200 0.038 0.000 1.028 340 S HN 0.277 nan 8.310 nan 0.000 0.484 341 I N 3.626 124.257 120.570 0.102 0.000 2.362 341 I HA 0.331 4.503 4.170 0.004 0.000 0.289 341 I C 0.080 176.250 176.117 0.088 0.000 0.994 341 I CA -0.458 60.922 61.300 0.133 0.000 1.158 341 I CB 1.956 40.056 38.000 0.167 0.000 1.315 341 I HN 0.613 nan 8.210 nan 0.000 0.451 342 S N 5.770 121.523 115.700 0.088 0.000 2.466 342 S HA 0.778 5.250 4.470 0.004 0.000 0.313 342 S C 0.029 174.662 174.600 0.056 0.000 1.078 342 S CA 0.289 58.523 58.200 0.057 0.000 1.115 342 S CB -0.007 63.219 63.200 0.043 0.000 1.006 342 S HN 1.078 nan 8.310 nan 0.000 0.487 343 G N 3.846 112.664 108.800 0.029 0.000 2.306 343 G HA2 0.019 3.981 3.960 0.004 0.000 0.262 343 G HA3 0.019 3.981 3.960 0.004 0.000 0.262 343 G C -1.971 172.881 174.900 -0.081 0.000 1.263 343 G CA -0.649 44.448 45.100 -0.005 0.000 1.088 343 G HN 0.600 nan 8.290 nan 0.000 0.489 344 D N 0.139 120.433 120.400 -0.177 0.000 2.340 344 D HA 0.660 5.302 4.640 0.004 0.000 0.240 344 D C -0.156 176.030 176.300 -0.190 0.000 1.001 344 D CA -0.268 53.469 54.000 -0.438 0.000 0.888 344 D CB 2.031 42.213 40.800 -1.031 0.000 1.310 344 D HN 0.429 nan 8.370 nan 0.000 0.474 345 L N 1.378 122.494 121.223 -0.178 0.000 2.322 345 L HA 0.372 4.714 4.340 0.004 0.000 0.281 345 L C -0.149 176.786 176.870 0.107 0.000 1.014 345 L CA -0.643 54.188 54.840 -0.014 0.000 0.815 345 L CB 1.411 43.457 42.059 -0.022 0.000 1.247 345 L HN 0.232 nan 8.230 nan 0.000 0.421 346 H N 4.696 123.737 119.070 -0.049 0.000 2.589 346 H HA 0.491 5.049 4.556 0.004 0.000 0.335 346 H C -0.865 174.489 175.328 0.043 0.000 1.019 346 H CA -0.693 55.387 56.048 0.053 0.000 1.213 346 H CB 2.437 32.240 29.762 0.069 0.000 1.472 346 H HN 0.404 nan 8.280 nan 0.000 0.508 347 I N 5.617 126.313 120.570 0.210 0.000 2.382 347 I HA 0.249 4.421 4.170 0.004 0.000 0.285 347 I C -0.547 175.690 176.117 0.200 0.000 1.007 347 I CA -0.229 61.182 61.300 0.185 0.000 1.142 347 I CB 1.044 39.245 38.000 0.334 0.000 1.289 347 I HN 0.258 nan 8.210 nan 0.000 0.453 348 L N 6.616 127.906 121.223 0.112 0.000 2.301 348 L HA 0.542 4.884 4.340 0.004 0.000 0.264 348 L C -1.817 175.139 176.870 0.142 0.000 1.016 348 L CA -1.780 53.148 54.840 0.146 0.000 0.821 348 L CB 1.500 43.636 42.059 0.129 0.000 1.346 348 L HN 0.177 nan 8.230 nan 0.000 0.429 349 P HA -0.187 nan 4.420 nan 0.000 0.216 349 P C 1.716 179.100 177.300 0.140 0.000 1.154 349 P CA 1.272 64.513 63.100 0.235 0.000 0.865 349 P CB 0.024 31.827 31.700 0.173 0.000 0.789 350 V N -1.390 118.566 119.914 0.070 0.000 2.317 350 V HA -0.342 3.780 4.120 0.004 0.000 0.251 350 V C 2.311 178.367 176.094 -0.062 0.000 1.065 350 V CA 2.060 64.373 62.300 0.022 0.000 1.049 350 V CB -2.323 29.514 31.823 0.024 0.000 0.651 350 V HN 0.104 nan 8.190 nan 0.000 0.450 351 A N 0.692 123.397 122.820 -0.192 0.000 1.927 351 A HA -0.194 4.128 4.320 0.004 0.000 0.220 351 A C 1.997 179.306 177.584 -0.457 0.000 1.185 351 A CA 2.537 54.315 52.037 -0.431 0.000 0.639 351 A CB -0.902 17.641 19.000 -0.761 0.000 0.820 351 A HN 0.637 nan 8.150 nan 0.000 0.451 352 F N -1.107 118.846 119.950 0.005 0.000 2.473 352 F HA 0.104 4.633 4.527 0.004 0.000 0.294 352 F C 2.486 178.280 175.800 -0.009 0.000 1.103 352 F CA 0.770 58.764 58.000 -0.010 0.000 1.442 352 F CB -0.082 38.911 39.000 -0.012 0.000 1.097 352 F HN 0.043 nan 8.300 nan 0.000 0.547 353 R N 0.705 121.284 120.500 0.131 0.000 2.119 353 R HA 0.265 4.608 4.340 0.004 0.000 0.222 353 R C 1.017 177.326 176.300 0.015 0.000 1.088 353 R CA 0.615 56.755 56.100 0.066 0.000 0.984 353 R CB -0.537 29.793 30.300 0.050 0.000 0.884 353 R HN 0.322 nan 8.270 nan 0.000 0.447 354 G N 1.284 110.078 108.800 -0.011 0.000 2.756 354 G HA2 -0.210 3.752 3.960 0.004 0.000 0.678 354 G HA3 -0.210 3.752 3.960 0.004 0.000 0.678 354 G C -1.508 173.353 174.900 -0.065 0.000 1.349 354 G CA -0.253 44.823 45.100 -0.040 0.000 0.847 354 G HN 0.274 nan 8.290 nan 0.000 0.548 355 D N -1.035 119.308 120.400 -0.095 0.000 2.375 355 D HA 0.548 5.190 4.640 0.004 0.000 0.241 355 D C 1.389 177.530 176.300 -0.266 0.000 1.361 355 D CA 0.544 54.454 54.000 -0.151 0.000 0.995 355 D CB 0.896 41.668 40.800 -0.048 0.000 1.312 355 D HN 0.872 nan 8.370 nan 0.000 0.576 356 S N 2.169 117.583 115.700 -0.477 0.000 2.442 356 S HA -0.138 4.334 4.470 0.004 0.000 0.236 356 S C 1.737 176.025 174.600 -0.520 0.000 1.007 356 S CA 0.498 58.415 58.200 -0.473 0.000 0.965 356 S CB -0.622 62.283 63.200 -0.492 0.000 0.773 356 S HN 0.492 nan 8.310 nan 0.000 0.504 357 F N 2.796 122.629 119.950 -0.195 0.000 2.146 357 F HA 0.001 4.530 4.527 0.004 0.000 0.298 357 F C 2.753 178.313 175.800 -0.399 0.000 1.096 357 F CA 0.994 58.845 58.000 -0.248 0.000 1.275 357 F CB -0.707 38.224 39.000 -0.116 0.000 1.008 357 F HN 0.361 nan 8.300 nan 0.000 0.480 358 T N -3.623 110.847 114.554 -0.139 0.000 3.206 358 T HA 0.091 4.443 4.350 0.004 0.000 0.253 358 T C 0.002 174.649 174.700 -0.088 0.000 1.042 358 T CA -0.194 61.837 62.100 -0.115 0.000 0.931 358 T CB -0.776 68.106 68.868 0.025 0.000 1.029 358 T HN 0.410 nan 8.240 nan 0.000 0.564 359 H N -0.038 119.044 119.070 0.019 0.000 2.770 359 H HA -0.119 4.440 4.556 0.004 0.000 0.309 359 H C -0.707 174.618 175.328 -0.004 0.000 1.206 359 H CA 1.111 57.159 56.048 -0.000 0.000 1.147 359 H CB -2.571 27.201 29.762 0.016 0.000 1.422 359 H HN 0.462 nan 8.280 nan 0.000 0.420 360 T N 2.927 117.505 114.554 0.039 0.000 2.786 360 T HA 0.359 4.711 4.350 0.004 0.000 0.283 360 T C -1.918 172.780 174.700 -0.005 0.000 0.992 360 T CA -1.170 60.946 62.100 0.026 0.000 0.954 360 T CB 2.947 71.822 68.868 0.010 0.000 0.934 360 T HN 0.077 nan 8.240 nan 0.000 0.440 361 P HA 0.335 nan 4.420 nan 0.000 0.274 361 P C -2.823 174.467 177.300 -0.016 0.000 1.246 361 P CA -1.893 61.202 63.100 -0.008 0.000 0.795 361 P CB -0.489 31.212 31.700 0.001 0.000 1.006 362 P HA 0.036 nan 4.420 nan 0.000 0.266 362 P C -0.268 177.030 177.300 -0.002 0.000 1.195 362 P CA 0.073 63.175 63.100 0.003 0.000 0.768 362 P CB 0.116 31.832 31.700 0.027 0.000 0.838 363 L N 3.414 124.622 121.223 -0.024 0.000 2.319 363 L HA 0.217 4.559 4.340 0.004 0.000 0.280 363 L C 0.161 177.063 176.870 0.054 0.000 1.099 363 L CA -0.168 54.650 54.840 -0.035 0.000 0.828 363 L CB -0.135 41.816 42.059 -0.180 0.000 1.150 363 L HN 0.221 nan 8.230 nan 0.000 0.442 364 D N 7.118 127.533 120.400 0.024 0.000 2.349 364 D HA 0.086 4.728 4.640 0.004 0.000 0.266 364 D C -1.774 174.546 176.300 0.034 0.000 1.293 364 D CA -1.713 52.304 54.000 0.027 0.000 0.926 364 D CB 1.371 42.172 40.800 0.001 0.000 1.090 364 D HN 0.422 nan 8.370 nan 0.000 0.502 365 P HA -0.182 nan 4.420 nan 0.000 0.218 365 P C 1.248 178.523 177.300 -0.041 0.000 1.148 365 P CA 0.989 64.107 63.100 0.029 0.000 0.822 365 P CB 0.242 31.894 31.700 -0.080 0.000 0.784 366 Q N 0.590 120.365 119.800 -0.041 0.000 2.197 366 Q HA -0.256 4.086 4.340 0.004 0.000 0.211 366 Q C 1.952 177.938 176.000 -0.024 0.000 0.993 366 Q CA 1.810 57.592 55.803 -0.035 0.000 0.883 366 Q CB -0.904 27.815 28.738 -0.032 0.000 0.916 366 Q HN 0.318 nan 8.270 nan 0.000 0.418 367 E N -0.480 119.702 120.200 -0.030 0.000 2.333 367 E HA -0.143 4.209 4.350 0.004 0.000 0.198 367 E C 1.729 178.288 176.600 -0.069 0.000 1.007 367 E CA 0.725 57.102 56.400 -0.039 0.000 0.845 367 E CB -0.111 29.568 29.700 -0.035 0.000 0.766 367 E HN 0.469 nan 8.360 nan 0.000 0.507 368 L N 1.106 122.272 121.223 -0.095 0.000 2.353 368 L HA -0.181 4.161 4.340 0.004 0.000 0.220 368 L C 1.710 178.474 176.870 -0.177 0.000 1.133 368 L CA 0.538 55.269 54.840 -0.182 0.000 0.798 368 L CB -0.343 41.534 42.059 -0.302 0.000 0.922 368 L HN -0.016 nan 8.230 nan 0.000 0.445 369 D N 0.631 120.993 120.400 -0.063 0.000 2.190 369 D HA -0.216 4.426 4.640 0.004 0.000 0.200 369 D C 2.183 178.434 176.300 -0.082 0.000 0.992 369 D CA 1.298 55.275 54.000 -0.039 0.000 0.854 369 D CB -0.123 40.681 40.800 0.007 0.000 0.936 369 D HN 0.365 nan 8.370 nan 0.000 0.462 370 I N 0.708 121.230 120.570 -0.079 0.000 2.236 370 I HA -0.297 3.875 4.170 0.004 0.000 0.249 370 I C 2.115 178.175 176.117 -0.094 0.000 1.102 370 I CA 0.966 62.230 61.300 -0.059 0.000 1.365 370 I CB -0.185 37.798 38.000 -0.027 0.000 1.051 370 I HN 0.006 nan 8.210 nan 0.000 0.420 371 L N -0.058 121.039 121.223 -0.211 0.000 2.551 371 L HA -0.126 4.216 4.340 0.004 0.000 0.228 371 L C 2.130 178.850 176.870 -0.249 0.000 1.153 371 L CA 0.695 55.358 54.840 -0.294 0.000 0.851 371 L CB -0.606 41.106 42.059 -0.577 0.000 0.959 371 L HN 0.137 nan 8.230 nan 0.000 0.451 372 K N 0.068 120.358 120.400 -0.183 0.000 2.280 372 K HA -0.124 4.198 4.320 0.004 0.000 0.202 372 K C 1.959 178.521 176.600 -0.062 0.000 1.047 372 K CA 1.696 57.910 56.287 -0.122 0.000 0.942 372 K CB -0.174 32.282 32.500 -0.073 0.000 0.739 372 K HN 0.455 nan 8.250 nan 0.000 0.457 373 T N -1.827 112.703 114.554 -0.040 0.000 3.118 373 T HA 0.061 4.413 4.350 0.004 0.000 0.260 373 T C 0.729 175.433 174.700 0.007 0.000 1.139 373 T CA -0.157 61.937 62.100 -0.010 0.000 1.085 373 T CB -0.043 68.830 68.868 0.008 0.000 0.934 373 T HN -0.218 nan 8.240 nan 0.000 0.518 374 V N 2.343 122.264 119.914 0.011 0.000 2.508 374 V HA 0.241 4.363 4.120 0.004 0.000 0.281 374 V C 0.959 177.087 176.094 0.056 0.000 1.041 374 V CA -0.126 62.208 62.300 0.056 0.000 1.016 374 V CB 1.094 32.978 31.823 0.101 0.000 0.984 374 V HN 0.398 nan 8.190 nan 0.000 0.478 375 K N 3.004 123.429 120.400 0.042 0.000 2.425 375 K HA 0.284 4.606 4.320 0.004 0.000 0.201 375 K C 0.369 176.982 176.600 0.021 0.000 1.128 375 K CA 0.049 56.349 56.287 0.020 0.000 1.000 375 K CB 1.255 33.755 32.500 -0.000 0.000 0.961 375 K HN 0.721 nan 8.250 nan 0.000 0.555 376 E N 1.427 121.650 120.200 0.037 0.000 2.287 376 E HA 0.308 4.660 4.350 0.004 0.000 0.274 376 E C -1.543 175.082 176.600 0.043 0.000 0.896 376 E CA -0.363 56.056 56.400 0.031 0.000 0.788 376 E CB 1.510 31.225 29.700 0.025 0.000 1.244 376 E HN 0.009 nan 8.360 nan 0.000 0.408 377 I N 3.732 124.320 120.570 0.029 0.000 2.406 377 I HA 0.179 4.352 4.170 0.004 0.000 0.290 377 I C 1.082 177.214 176.117 0.026 0.000 0.999 377 I CA -0.420 60.894 61.300 0.024 0.000 1.124 377 I CB 2.008 40.004 38.000 -0.006 0.000 1.289 377 I HN 0.585 nan 8.210 nan 0.000 0.441 378 T N 3.956 118.527 114.554 0.027 0.000 2.896 378 T HA 0.037 4.389 4.350 0.004 0.000 0.263 378 T C 1.166 175.889 174.700 0.038 0.000 1.050 378 T CA 1.367 63.487 62.100 0.033 0.000 1.140 378 T CB 0.152 69.040 68.868 0.032 0.000 0.877 378 T HN 0.854 nan 8.240 nan 0.000 0.457 379 G N 0.689 109.499 108.800 0.017 0.000 3.387 379 G HA2 0.522 4.484 3.960 0.004 0.000 0.195 379 G HA3 0.522 4.484 3.960 0.004 0.000 0.195 379 G C -0.454 174.503 174.900 0.096 0.000 1.853 379 G CA -0.410 44.713 45.100 0.038 0.000 0.879 379 G HN 0.424 nan 8.290 nan 0.000 0.651 380 F N -1.266 118.695 119.950 0.018 0.000 2.561 380 F HA 0.791 5.320 4.527 0.004 0.000 0.321 380 F C -1.116 174.654 175.800 -0.051 0.000 1.065 380 F CA -1.898 56.095 58.000 -0.012 0.000 0.934 380 F CB 1.811 40.800 39.000 -0.018 0.000 1.215 380 F HN 0.322 nan 8.300 nan 0.000 0.471 381 L N 4.382 125.707 121.223 0.170 0.000 2.280 381 L HA 0.639 4.982 4.340 0.004 0.000 0.287 381 L C -1.571 175.350 176.870 0.085 0.000 1.023 381 L CA -0.889 53.945 54.840 -0.011 0.000 0.819 381 L CB 1.028 42.949 42.059 -0.229 0.000 1.212 381 L HN 0.800 nan 8.230 nan 0.000 0.420 382 L N 7.209 128.489 121.223 0.094 0.000 2.316 382 L HA 0.613 4.956 4.340 0.004 0.000 0.280 382 L C -1.181 175.716 176.870 0.044 0.000 1.006 382 L CA -0.088 54.789 54.840 0.062 0.000 0.836 382 L CB 1.001 43.099 42.059 0.066 0.000 1.221 382 L HN 0.553 nan 8.230 nan 0.000 0.418 383 I N 5.278 125.857 120.570 0.015 0.000 2.405 383 I HA 0.326 4.498 4.170 0.004 0.000 0.280 383 I C 0.353 176.527 176.117 0.095 0.000 1.027 383 I CA -0.137 61.217 61.300 0.089 0.000 1.161 383 I CB 1.442 39.447 38.000 0.008 0.000 1.300 383 I HN 0.699 nan 8.210 nan 0.000 0.463 384 Q N 4.033 123.927 119.800 0.155 0.000 2.217 384 Q HA 0.446 4.788 4.340 0.004 0.000 0.217 384 Q C 0.173 176.298 176.000 0.207 0.000 0.844 384 Q CA -0.095 55.789 55.803 0.134 0.000 0.957 384 Q CB 1.537 30.344 28.738 0.115 0.000 1.127 384 Q HN 0.799 nan 8.270 nan 0.000 0.503 385 A N 0.357 123.379 122.820 0.337 0.000 2.594 385 A HA 0.685 5.008 4.320 0.004 0.000 0.295 385 A C -2.211 175.744 177.584 0.618 0.000 1.071 385 A CA -0.495 51.802 52.037 0.434 0.000 0.685 385 A CB 1.595 20.951 19.000 0.593 0.000 1.285 385 A HN 0.257 nan 8.150 nan 0.000 0.405 386 W N 2.264 123.548 121.300 -0.026 0.000 3.645 386 W HA 0.382 5.044 4.660 0.004 0.000 0.285 386 W C -3.047 173.264 176.519 -0.346 0.000 1.266 386 W CA -1.305 55.981 57.345 -0.098 0.000 1.212 386 W CB 1.609 31.097 29.460 0.047 0.000 1.306 386 W HN 0.636 nan 8.180 nan 0.000 0.552 387 P HA 0.021 nan 4.420 nan 0.000 0.264 387 P C 0.271 177.474 177.300 -0.162 0.000 1.193 387 P CA 0.864 63.655 63.100 -0.515 0.000 0.763 387 P CB 0.811 32.225 31.700 -0.476 0.000 0.810 388 E N 2.032 122.158 120.200 -0.124 0.000 2.268 388 E HA -0.146 4.206 4.350 0.004 0.000 0.195 388 E C 1.218 177.824 176.600 0.009 0.000 0.995 388 E CA 0.778 57.169 56.400 -0.016 0.000 0.836 388 E CB -0.094 29.586 29.700 -0.033 0.000 0.763 388 E HN 0.545 nan 8.360 nan 0.000 0.491 389 N N 0.851 119.534 118.700 -0.028 0.000 2.313 389 N HA -0.031 4.711 4.740 0.004 0.000 0.207 389 N C -0.254 175.253 175.510 -0.005 0.000 1.141 389 N CA 0.108 53.148 53.050 -0.018 0.000 0.830 389 N CB 0.361 38.823 38.487 -0.041 0.000 1.008 389 N HN -0.152 nan 8.380 nan 0.000 0.481 390 R N 0.037 120.566 120.500 0.049 0.000 2.343 390 R HA 0.275 4.618 4.340 0.004 0.000 0.320 390 R C 0.421 176.847 176.300 0.210 0.000 0.956 390 R CA -0.362 55.799 56.100 0.102 0.000 0.836 390 R CB 1.157 31.535 30.300 0.130 0.000 1.151 390 R HN 0.008 nan 8.270 nan 0.000 0.450 391 T N 1.219 115.861 114.554 0.147 0.000 2.995 391 T HA -0.080 4.273 4.350 0.004 0.000 0.269 391 T C 0.192 174.986 174.700 0.157 0.000 1.091 391 T CA 1.409 63.591 62.100 0.135 0.000 1.128 391 T CB 0.083 69.008 68.868 0.094 0.000 0.891 391 T HN 0.706 nan 8.240 nan 0.000 0.492 392 D N -1.097 119.430 120.400 0.211 0.000 2.825 392 D HA 0.181 4.823 4.640 0.004 0.000 0.327 392 D C -0.847 175.555 176.300 0.171 0.000 1.277 392 D CA -0.848 53.238 54.000 0.142 0.000 0.950 392 D CB 0.065 40.934 40.800 0.114 0.000 1.438 392 D HN -0.013 nan 8.370 nan 0.000 0.526 393 L N 2.059 123.266 121.223 -0.026 0.000 2.480 393 L HA 0.178 4.520 4.340 0.004 0.000 0.243 393 L C 1.489 178.435 176.870 0.127 0.000 1.315 393 L CA -0.534 54.195 54.840 -0.185 0.000 1.231 393 L CB -0.640 41.223 42.059 -0.327 0.000 1.444 393 L HN 0.439 nan 8.230 nan 0.000 0.409 394 H N 0.725 119.996 119.070 0.334 0.000 2.387 394 H HA -0.105 4.453 4.556 0.004 0.000 0.299 394 H C 1.773 177.169 175.328 0.115 0.000 1.090 394 H CA 1.194 57.356 56.048 0.190 0.000 1.332 394 H CB -0.053 29.812 29.762 0.172 0.000 1.386 394 H HN 0.502 nan 8.280 nan 0.000 0.516 395 A N 0.460 122.930 122.820 -0.584 0.000 2.172 395 A HA 0.031 4.353 4.320 0.004 0.000 0.216 395 A C 1.141 178.379 177.584 -0.577 0.000 1.154 395 A CA 0.507 52.199 52.037 -0.575 0.000 0.701 395 A CB -0.920 17.652 19.000 -0.713 0.000 0.789 395 A HN 0.364 nan 8.150 nan 0.000 0.465 396 F N -0.148 119.753 119.950 -0.081 0.000 2.668 396 F HA 0.139 4.669 4.527 0.004 0.000 0.301 396 F C 1.690 177.411 175.800 -0.132 0.000 1.106 396 F CA 0.179 58.115 58.000 -0.106 0.000 1.289 396 F CB 0.193 39.112 39.000 -0.135 0.000 1.006 396 F HN 0.448 nan 8.300 nan 0.000 0.535 397 E N -0.192 120.012 120.200 0.007 0.000 2.331 397 E HA -0.203 4.149 4.350 0.004 0.000 0.199 397 E C 0.708 177.270 176.600 -0.064 0.000 1.008 397 E CA 1.324 57.699 56.400 -0.042 0.000 0.843 397 E CB -0.239 29.451 29.700 -0.018 0.000 0.761 397 E HN 0.345 nan 8.360 nan 0.000 0.507 398 N N 0.506 119.185 118.700 -0.035 0.000 2.187 398 N HA 0.081 4.823 4.740 0.004 0.000 0.212 398 N C -0.225 175.268 175.510 -0.028 0.000 1.152 398 N CA -0.263 52.763 53.050 -0.039 0.000 0.872 398 N CB 0.531 39.001 38.487 -0.029 0.000 1.025 398 N HN 0.153 nan 8.380 nan 0.000 0.514 399 L N 2.170 123.389 121.223 -0.007 0.000 2.534 399 L HA 0.005 4.347 4.340 0.004 0.000 0.271 399 L C 1.146 177.971 176.870 -0.075 0.000 1.178 399 L CA 0.827 55.663 54.840 -0.007 0.000 0.907 399 L CB 0.346 42.412 42.059 0.011 0.000 1.164 399 L HN 0.077 nan 8.230 nan 0.000 0.482 400 E N 5.086 125.258 120.200 -0.047 0.000 2.340 400 E HA 0.251 4.603 4.350 0.004 0.000 0.198 400 E C -0.151 176.426 176.600 -0.038 0.000 0.961 400 E CA 0.237 56.605 56.400 -0.055 0.000 0.905 400 E CB 0.821 30.501 29.700 -0.035 0.000 0.884 400 E HN 0.627 nan 8.360 nan 0.000 0.491 401 I N 0.610 121.169 120.570 -0.018 0.000 2.710 401 I HA 0.267 4.439 4.170 0.004 0.000 0.290 401 I C -1.895 174.233 176.117 0.018 0.000 1.318 401 I CA -0.623 60.683 61.300 0.010 0.000 1.045 401 I CB 1.676 39.688 38.000 0.020 0.000 1.307 401 I HN -0.156 nan 8.210 nan 0.000 0.424 402 I N 7.763 128.358 120.570 0.041 0.000 2.355 402 I HA 0.437 4.609 4.170 0.004 0.000 0.288 402 I C 0.979 177.143 176.117 0.078 0.000 0.999 402 I CA -0.517 60.814 61.300 0.052 0.000 1.163 402 I CB 1.572 39.610 38.000 0.064 0.000 1.316 402 I HN 0.629 nan 8.210 nan 0.000 0.454 403 R N 4.048 124.588 120.500 0.066 0.000 2.127 403 R HA 0.122 4.464 4.340 0.004 0.000 0.217 403 R C 1.349 177.697 176.300 0.080 0.000 1.074 403 R CA 0.623 56.764 56.100 0.069 0.000 0.991 403 R CB -0.029 30.302 30.300 0.052 0.000 0.895 403 R HN 0.973 nan 8.270 nan 0.000 0.450 404 G N 1.798 110.654 108.800 0.093 0.000 2.246 404 G HA2 -0.328 3.635 3.960 0.004 0.000 0.273 404 G HA3 -0.328 3.635 3.960 0.004 0.000 0.273 404 G C 0.639 175.590 174.900 0.086 0.000 1.055 404 G CA 0.671 45.837 45.100 0.111 0.000 0.851 404 G HN 0.330 nan 8.290 nan 0.000 0.500 405 R N -0.113 120.433 120.500 0.076 0.000 2.070 405 R HA -0.009 4.333 4.340 0.004 0.000 0.233 405 R C 1.894 178.241 176.300 0.077 0.000 1.137 405 R CA 1.770 57.907 56.100 0.061 0.000 0.945 405 R CB -0.459 29.871 30.300 0.050 0.000 0.845 405 R HN 0.644 nan 8.270 nan 0.000 0.430 406 T N -0.026 114.596 114.554 0.112 0.000 2.922 406 T HA 0.497 4.849 4.350 0.004 0.000 0.285 406 T C -0.368 174.503 174.700 0.284 0.000 1.005 406 T CA -0.834 61.367 62.100 0.169 0.000 1.061 406 T CB 2.050 71.026 68.868 0.179 0.000 1.007 406 T HN -0.029 nan 8.240 nan 0.000 0.502 407 K N 0.770 121.305 120.400 0.225 0.000 2.469 407 K HA 0.340 4.662 4.320 0.004 0.000 0.254 407 K C -0.697 175.707 176.600 -0.325 0.000 0.939 407 K CA -0.851 55.464 56.287 0.047 0.000 0.812 407 K CB 2.428 34.887 32.500 -0.069 0.000 1.301 407 K HN 0.676 nan 8.250 nan 0.000 0.433 408 Q N 2.726 121.915 119.800 -1.019 0.000 2.311 408 Q HA -0.052 4.290 4.340 0.004 0.000 0.272 408 Q C -0.525 175.180 176.000 -0.492 0.000 1.012 408 Q CA 0.477 55.667 55.803 -1.023 0.000 0.891 408 Q CB 0.203 28.285 28.738 -1.093 0.000 1.201 408 Q HN 0.632 nan 8.270 nan 0.000 0.391 409 H N 2.341 121.271 119.070 -0.234 0.000 2.781 409 H HA -0.242 4.317 4.556 0.004 0.000 0.301 409 H C 0.945 176.135 175.328 -0.230 0.000 1.124 409 H CA 1.245 57.182 56.048 -0.185 0.000 1.154 409 H CB -1.787 27.863 29.762 -0.187 0.000 1.355 409 H HN 1.051 nan 8.280 nan 0.000 0.385 410 G N -0.902 107.822 108.800 -0.126 0.000 2.168 410 G HA2 -0.382 3.580 3.960 0.004 0.000 0.263 410 G HA3 -0.382 3.580 3.960 0.004 0.000 0.263 410 G C 0.881 175.648 174.900 -0.221 0.000 0.977 410 G CA 1.103 46.127 45.100 -0.127 0.000 0.659 410 G HN 0.573 nan 8.290 nan 0.000 0.533 411 Q N -1.489 118.079 119.800 -0.387 0.000 2.642 411 Q HA 0.388 4.730 4.340 0.004 0.000 0.202 411 Q C 0.452 176.181 176.000 -0.452 0.000 0.845 411 Q CA -0.140 55.321 55.803 -0.570 0.000 0.873 411 Q CB 0.483 28.550 28.738 -1.119 0.000 1.190 411 Q HN 0.457 nan 8.270 nan 0.000 0.642 412 F N 1.606 121.451 119.950 -0.175 0.000 2.427 412 F HA 0.071 4.600 4.527 0.004 0.000 0.352 412 F C 1.358 177.066 175.800 -0.153 0.000 1.100 412 F CA -0.337 57.560 58.000 -0.172 0.000 1.191 412 F CB 1.121 39.996 39.000 -0.209 0.000 1.128 412 F HN 0.164 nan 8.300 nan 0.000 0.533 413 S N 2.403 118.189 115.700 0.144 0.000 2.492 413 S HA 0.192 4.664 4.470 0.004 0.000 0.218 413 S C -0.110 174.598 174.600 0.181 0.000 1.016 413 S CA -0.103 58.200 58.200 0.173 0.000 0.916 413 S CB 0.232 63.524 63.200 0.153 0.000 0.791 413 S HN 0.453 nan 8.310 nan 0.000 0.513 414 L N 1.440 122.743 121.223 0.134 0.000 2.441 414 L HA 0.817 5.159 4.340 0.004 0.000 0.270 414 L C -1.185 175.664 176.870 -0.034 0.000 0.973 414 L CA -0.967 53.912 54.840 0.065 0.000 0.842 414 L CB 1.328 43.449 42.059 0.103 0.000 1.239 414 L HN 0.176 nan 8.230 nan 0.000 0.406 415 A N 5.147 127.915 122.820 -0.086 0.000 2.332 415 A HA 0.792 5.115 4.320 0.004 0.000 0.300 415 A C -1.440 176.054 177.584 -0.150 0.000 1.153 415 A CA -0.489 51.425 52.037 -0.204 0.000 0.764 415 A CB 1.367 20.195 19.000 -0.287 0.000 1.174 415 A HN 0.500 nan 8.150 nan 0.000 0.467 416 V N 3.309 123.132 119.914 -0.151 0.000 2.378 416 V HA 0.540 4.662 4.120 0.004 0.000 0.288 416 V C -0.591 175.445 176.094 -0.097 0.000 1.016 416 V CA -0.448 61.788 62.300 -0.107 0.000 0.840 416 V CB 1.356 33.125 31.823 -0.089 0.000 0.994 416 V HN 0.636 nan 8.190 nan 0.000 0.431 417 V N 3.485 123.363 119.914 -0.060 0.000 2.524 417 V HA 0.506 4.628 4.120 0.004 0.000 0.297 417 V C 0.351 176.442 176.094 -0.004 0.000 1.035 417 V CA -0.180 62.090 62.300 -0.051 0.000 0.867 417 V CB 1.610 33.393 31.823 -0.067 0.000 1.004 417 V HN 1.040 nan 8.190 nan 0.000 0.426 418 S N 4.432 120.129 115.700 -0.004 0.000 3.797 418 S HA -0.130 4.342 4.470 0.004 0.000 0.374 418 S C -0.289 174.336 174.600 0.041 0.000 0.970 418 S CA 0.681 58.891 58.200 0.017 0.000 1.177 418 S CB -1.056 62.157 63.200 0.022 0.000 0.891 418 S HN 0.548 nan 8.310 nan 0.000 0.491 419 L N 0.676 121.922 121.223 0.039 0.000 2.376 419 L HA 0.570 4.912 4.340 0.004 0.000 0.267 419 L C 1.503 178.410 176.870 0.062 0.000 1.035 419 L CA -0.860 54.022 54.840 0.070 0.000 0.800 419 L CB 0.471 42.567 42.059 0.062 0.000 1.290 419 L HN 0.205 nan 8.230 nan 0.000 0.462 420 N N 0.110 118.863 118.700 0.088 0.000 2.336 420 N HA 0.136 4.879 4.740 0.004 0.000 0.189 420 N C 0.272 175.832 175.510 0.083 0.000 1.113 420 N CA -0.215 52.879 53.050 0.073 0.000 0.858 420 N CB -0.172 38.359 38.487 0.072 0.000 0.970 420 N HN 0.478 nan 8.380 nan 0.000 0.471 421 I N -2.599 118.022 120.570 0.086 0.000 3.161 421 I HA 0.010 4.183 4.170 0.004 0.000 0.284 421 I C 0.786 176.955 176.117 0.087 0.000 1.252 421 I CA 0.131 61.482 61.300 0.084 0.000 1.374 421 I CB 0.416 38.429 38.000 0.022 0.000 1.359 421 I HN -0.179 nan 8.210 nan 0.000 0.606 422 T N 0.904 115.528 114.554 0.117 0.000 3.019 422 T HA 0.135 4.488 4.350 0.004 0.000 0.247 422 T C 0.542 175.393 174.700 0.252 0.000 0.992 422 T CA 0.542 62.732 62.100 0.151 0.000 1.036 422 T CB 0.072 69.033 68.868 0.156 0.000 1.063 422 T HN 0.870 nan 8.240 nan 0.000 0.476 423 S N -0.015 115.822 115.700 0.229 0.000 2.634 423 S HA 0.650 5.122 4.470 0.004 0.000 0.296 423 S C 0.763 175.470 174.600 0.178 0.000 1.104 423 S CA -0.855 57.504 58.200 0.266 0.000 0.920 423 S CB 1.454 64.711 63.200 0.094 0.000 1.111 423 S HN 0.082 nan 8.310 nan 0.000 0.493 424 L N 0.804 122.170 121.223 0.238 0.000 2.072 424 L HA 0.205 4.547 4.340 0.004 0.000 0.205 424 L C 2.178 179.113 176.870 0.109 0.000 1.079 424 L CA 1.234 56.203 54.840 0.215 0.000 0.752 424 L CB -1.034 41.300 42.059 0.459 0.000 0.906 424 L HN 1.192 nan 8.230 nan 0.000 0.436 425 G N -0.106 108.778 108.800 0.141 0.000 2.179 425 G HA2 -0.287 3.675 3.960 0.004 0.000 0.260 425 G HA3 -0.287 3.675 3.960 0.004 0.000 0.260 425 G C 0.446 175.263 174.900 -0.139 0.000 0.977 425 G CA 0.018 45.136 45.100 0.031 0.000 0.641 425 G HN 0.255 nan 8.290 nan 0.000 0.533 426 L N 1.410 122.418 121.223 -0.358 0.000 2.672 426 L HA 0.217 4.559 4.340 0.004 0.000 0.238 426 L C 2.271 178.282 176.870 -1.433 0.000 1.392 426 L CA 0.251 54.585 54.840 -0.844 0.000 1.238 426 L CB -0.235 41.225 42.059 -0.998 0.000 1.548 426 L HN 0.494 nan 8.230 nan 0.000 0.423 427 R N -2.082 117.960 120.500 -0.764 0.000 2.280 427 R HA -0.010 4.333 4.340 0.004 0.000 0.207 427 R C 1.323 177.372 176.300 -0.418 0.000 1.043 427 R CA 0.790 56.530 56.100 -0.600 0.000 1.006 427 R CB -0.103 30.088 30.300 -0.182 0.000 0.885 427 R HN 0.202 nan 8.270 nan 0.000 0.467 428 S N 0.652 116.122 115.700 -0.382 0.000 2.524 428 S HA 0.115 4.588 4.470 0.004 0.000 0.216 428 S C 0.232 174.693 174.600 -0.232 0.000 0.987 428 S CA -0.492 57.571 58.200 -0.229 0.000 0.909 428 S CB 0.123 63.233 63.200 -0.150 0.000 0.781 428 S HN 0.200 nan 8.310 nan 0.000 0.521 429 L N 2.950 123.940 121.223 -0.387 0.000 2.456 429 L HA 0.245 4.587 4.340 0.004 0.000 0.277 429 L C 0.636 177.428 176.870 -0.131 0.000 1.124 429 L CA 0.710 55.384 54.840 -0.277 0.000 0.880 429 L CB 0.199 42.011 42.059 -0.413 0.000 1.192 429 L HN -0.196 nan 8.230 nan 0.000 0.463 430 K N 3.878 124.244 120.400 -0.056 0.000 2.438 430 K HA 0.279 4.601 4.320 0.004 0.000 0.206 430 K C -0.413 176.195 176.600 0.013 0.000 1.081 430 K CA 0.076 56.356 56.287 -0.011 0.000 1.053 430 K CB 0.948 33.439 32.500 -0.015 0.000 0.908 430 K HN 0.712 nan 8.250 nan 0.000 0.556 431 E N 0.700 120.916 120.200 0.025 0.000 2.347 431 E HA 0.332 4.685 4.350 0.004 0.000 0.285 431 E C -1.512 175.153 176.600 0.108 0.000 0.925 431 E CA -0.379 56.062 56.400 0.068 0.000 0.779 431 E CB 1.603 31.340 29.700 0.061 0.000 1.233 431 E HN -0.039 nan 8.360 nan 0.000 0.414 432 I N 4.004 124.690 120.570 0.193 0.000 2.437 432 I HA 0.177 4.349 4.170 0.004 0.000 0.279 432 I C 0.852 177.138 176.117 0.282 0.000 1.028 432 I CA -0.335 61.125 61.300 0.266 0.000 1.142 432 I CB 1.689 39.943 38.000 0.422 0.000 1.266 432 I HN 0.503 nan 8.210 nan 0.000 0.461 433 S N 2.948 118.751 115.700 0.171 0.000 2.356 433 S HA -0.109 4.363 4.470 0.004 0.000 0.223 433 S C 0.474 175.131 174.600 0.095 0.000 1.032 433 S CA 1.383 59.659 58.200 0.126 0.000 1.005 433 S CB -0.072 63.178 63.200 0.084 0.000 0.867 433 S HN 0.767 nan 8.310 nan 0.000 0.449 434 D N -2.427 118.017 120.400 0.072 0.000 2.626 434 D HA 0.544 5.186 4.640 0.004 0.000 0.278 434 D C -0.255 176.040 176.300 -0.009 0.000 1.211 434 D CA 0.749 54.749 54.000 0.001 0.000 0.903 434 D CB 1.386 42.189 40.800 0.005 0.000 1.408 434 D HN 0.370 nan 8.370 nan 0.000 0.454 435 G N 0.801 109.556 108.800 -0.076 0.000 2.756 435 G HA2 0.047 4.009 3.960 0.004 0.000 0.678 435 G HA3 0.047 4.009 3.960 0.004 0.000 0.678 435 G C -1.334 173.502 174.900 -0.107 0.000 1.349 435 G CA -0.403 44.659 45.100 -0.063 0.000 0.847 435 G HN 0.552 nan 8.290 nan 0.000 0.548 436 D N -0.984 119.403 120.400 -0.022 0.000 2.252 436 D HA 0.590 5.232 4.640 0.004 0.000 0.245 436 D C 0.304 176.708 176.300 0.173 0.000 1.009 436 D CA -0.315 53.705 54.000 0.033 0.000 0.870 436 D CB 1.904 42.741 40.800 0.062 0.000 1.251 436 D HN 0.463 nan 8.370 nan 0.000 0.460 437 V N 2.048 122.035 119.914 0.122 0.000 2.439 437 V HA 0.439 4.561 4.120 0.004 0.000 0.282 437 V C 0.112 176.111 176.094 -0.158 0.000 1.039 437 V CA -0.681 61.598 62.300 -0.035 0.000 0.913 437 V CB 1.331 32.998 31.823 -0.261 0.000 0.983 437 V HN 0.441 nan 8.190 nan 0.000 0.460 438 I N 5.730 126.141 120.570 -0.265 0.000 2.478 438 I HA 0.587 4.759 4.170 0.004 0.000 0.287 438 I C -1.090 174.843 176.117 -0.306 0.000 1.042 438 I CA -0.284 60.801 61.300 -0.359 0.000 1.067 438 I CB 1.257 38.864 38.000 -0.654 0.000 1.233 438 I HN 0.559 nan 8.210 nan 0.000 0.431 439 I N 7.018 127.440 120.570 -0.246 0.000 2.466 439 I HA 0.393 4.565 4.170 0.004 0.000 0.279 439 I C -0.586 175.453 176.117 -0.131 0.000 1.033 439 I CA -0.112 61.089 61.300 -0.165 0.000 1.123 439 I CB 1.655 39.578 38.000 -0.129 0.000 1.237 439 I HN 0.524 nan 8.210 nan 0.000 0.460 440 S N 4.074 119.704 115.700 -0.117 0.000 2.547 440 S HA 0.686 5.158 4.470 0.004 0.000 0.281 440 S C 0.456 175.020 174.600 -0.060 0.000 1.118 440 S CA 0.243 58.387 58.200 -0.094 0.000 0.947 440 S CB 1.650 64.779 63.200 -0.118 0.000 1.053 440 S HN 1.076 nan 8.310 nan 0.000 0.482 441 G N 3.539 112.313 108.800 -0.043 0.000 2.176 441 G HA2 -0.203 3.760 3.960 0.004 0.000 0.252 441 G HA3 -0.203 3.760 3.960 0.004 0.000 0.252 441 G C -0.363 174.529 174.900 -0.014 0.000 1.024 441 G CA -0.038 45.046 45.100 -0.026 0.000 0.755 441 G HN 0.743 nan 8.290 nan 0.000 0.507 442 N N 0.618 119.309 118.700 -0.015 0.000 2.558 442 N HA 0.242 4.984 4.740 0.004 0.000 0.233 442 N C 1.488 176.999 175.510 0.001 0.000 1.038 442 N CA 0.295 53.344 53.050 -0.001 0.000 0.934 442 N CB 1.096 39.583 38.487 0.001 0.000 1.175 442 N HN 0.755 nan 8.380 nan 0.000 0.512 443 K N 0.476 120.878 120.400 0.004 0.000 2.439 443 K HA 0.058 4.380 4.320 0.004 0.000 0.197 443 K C 0.327 176.927 176.600 -0.000 0.000 1.041 443 K CA 0.965 57.252 56.287 -0.001 0.000 0.970 443 K CB 0.246 32.746 32.500 0.001 0.000 0.773 443 K HN 0.091 nan 8.250 nan 0.000 0.479 444 N N 0.675 119.381 118.700 0.010 0.000 2.203 444 N HA 0.065 4.807 4.740 0.004 0.000 0.207 444 N C -0.715 174.805 175.510 0.016 0.000 1.130 444 N CA -0.232 52.825 53.050 0.013 0.000 0.861 444 N CB 0.436 38.940 38.487 0.029 0.000 1.005 444 N HN 0.153 nan 8.380 nan 0.000 0.507 445 L N 1.384 122.616 121.223 0.015 0.000 2.319 445 L HA 0.268 4.610 4.340 0.004 0.000 0.280 445 L C -0.204 176.663 176.870 -0.005 0.000 1.099 445 L CA -0.213 54.649 54.840 0.036 0.000 0.828 445 L CB 0.180 42.264 42.059 0.042 0.000 1.150 445 L HN 0.012 nan 8.230 nan 0.000 0.442 446 c N 3.365 121.958 118.600 -0.012 0.000 2.710 446 c HA 0.559 5.131 4.570 0.004 0.000 0.367 446 c C 0.413 174.469 174.090 -0.058 0.000 1.315 446 c CA -0.199 55.992 56.329 -0.231 0.000 1.764 446 c CB 1.006 43.094 42.510 -0.703 0.000 2.182 446 c HN 0.981 nan 8.230 nan 0.000 0.491 447 Y N -1.717 118.581 120.300 -0.003 0.000 3.717 447 Y HA -0.334 4.218 4.550 0.004 0.000 0.389 447 Y C 1.934 177.796 175.900 -0.065 0.000 1.263 447 Y CA 1.010 59.087 58.100 -0.039 0.000 2.057 447 Y CB -2.147 36.293 38.460 -0.033 0.000 0.874 447 Y HN 0.710 nan 8.280 nan 0.000 0.450 448 A N 0.740 123.637 122.820 0.127 0.000 2.024 448 A HA -0.225 4.097 4.320 0.004 0.000 0.220 448 A C 1.878 179.577 177.584 0.192 0.000 1.164 448 A CA 2.093 54.234 52.037 0.173 0.000 0.643 448 A CB -0.531 18.597 19.000 0.214 0.000 0.806 448 A HN 0.701 nan 8.150 nan 0.000 0.451 449 N N -0.531 118.224 118.700 0.091 0.000 2.446 449 N HA -0.095 4.647 4.740 0.004 0.000 0.179 449 N C 1.789 177.309 175.510 0.017 0.000 1.054 449 N CA 1.532 54.630 53.050 0.080 0.000 0.905 449 N CB -0.324 38.179 38.487 0.027 0.000 0.973 449 N HN 0.738 nan 8.380 nan 0.000 0.448 450 T N -0.732 113.797 114.554 -0.041 0.000 2.915 450 T HA -0.002 4.350 4.350 0.004 0.000 0.269 450 T C 1.061 175.648 174.700 -0.188 0.000 1.071 450 T CA 0.256 62.303 62.100 -0.088 0.000 1.132 450 T CB -0.086 68.744 68.868 -0.063 0.000 0.878 450 T HN -0.136 nan 8.240 nan 0.000 0.479 451 I N 3.358 123.730 120.570 -0.329 0.000 2.588 451 I HA 0.219 4.391 4.170 0.004 0.000 0.283 451 I C 0.543 176.441 176.117 -0.366 0.000 1.119 451 I CA -1.085 59.868 61.300 -0.578 0.000 1.419 451 I CB -0.023 37.233 38.000 -1.241 0.000 1.394 451 I HN 0.263 nan 8.210 nan 0.000 0.562 452 N N 5.891 124.397 118.700 -0.323 0.000 2.719 452 N HA 0.040 4.782 4.740 0.004 0.000 0.243 452 N C 0.537 175.915 175.510 -0.220 0.000 1.104 452 N CA -0.289 52.662 53.050 -0.164 0.000 0.981 452 N CB 0.051 38.471 38.487 -0.110 0.000 1.290 452 N HN 0.400 nan 8.380 nan 0.000 0.513 453 W N 2.210 123.360 121.300 -0.249 0.000 2.424 453 W HA -0.082 4.581 4.660 0.004 0.000 0.264 453 W C 1.553 177.675 176.519 -0.662 0.000 1.229 453 W CA 0.289 57.366 57.345 -0.447 0.000 1.208 453 W CB 0.165 29.364 29.460 -0.434 0.000 1.127 453 W HN 0.402 nan 8.180 nan 0.000 0.588 454 K N 0.316 120.655 120.400 -0.102 0.000 2.365 454 K HA -0.105 4.217 4.320 0.004 0.000 0.199 454 K C 1.706 178.310 176.600 0.007 0.000 1.045 454 K CA 0.980 57.283 56.287 0.027 0.000 0.962 454 K CB -0.370 32.208 32.500 0.129 0.000 0.759 454 K HN 0.127 nan 8.250 nan 0.000 0.469 455 K N 0.562 120.917 120.400 -0.075 0.000 2.228 455 K HA 0.031 4.354 4.320 0.004 0.000 0.202 455 K C 1.280 177.859 176.600 -0.035 0.000 1.051 455 K CA 0.562 56.824 56.287 -0.042 0.000 0.960 455 K CB 0.141 32.599 32.500 -0.069 0.000 0.743 455 K HN 0.042 nan 8.250 nan 0.000 0.458 456 L N 0.317 121.470 121.223 -0.118 0.000 2.395 456 L HA 0.141 4.483 4.340 0.004 0.000 0.218 456 L C 0.725 177.675 176.870 0.133 0.000 1.130 456 L CA 0.038 54.855 54.840 -0.039 0.000 0.826 456 L CB -0.234 41.775 42.059 -0.083 0.000 0.941 456 L HN -0.014 nan 8.230 nan 0.000 0.451 457 F N -0.275 119.742 119.950 0.112 0.000 2.382 457 F HA 0.306 4.835 4.527 0.004 0.000 0.331 457 F C 1.444 177.285 175.800 0.069 0.000 1.121 457 F CA -0.550 57.511 58.000 0.101 0.000 1.183 457 F CB 1.332 40.396 39.000 0.107 0.000 1.207 457 F HN -0.154 nan 8.300 nan 0.000 0.555 458 G N 0.450 109.405 108.800 0.258 0.000 2.781 458 G HA2 0.085 4.047 3.960 0.004 0.000 0.208 458 G HA3 0.085 4.047 3.960 0.004 0.000 0.208 458 G C -0.103 174.848 174.900 0.085 0.000 1.099 458 G CA 0.100 45.282 45.100 0.138 0.000 0.776 458 G HN 0.515 nan 8.290 nan 0.000 0.532 459 T N 0.358 114.943 114.554 0.051 0.000 2.823 459 T HA 0.401 4.753 4.350 0.004 0.000 0.279 459 T C 1.220 175.909 174.700 -0.017 0.000 0.998 459 T CA 0.125 62.224 62.100 -0.003 0.000 0.994 459 T CB 1.864 70.702 68.868 -0.051 0.000 0.960 459 T HN 0.103 nan 8.240 nan 0.000 0.448 460 S N 1.598 117.297 115.700 -0.002 0.000 2.561 460 S HA 0.071 4.544 4.470 0.004 0.000 0.225 460 S C 1.923 176.510 174.600 -0.020 0.000 0.977 460 S CA 0.577 58.786 58.200 0.014 0.000 0.926 460 S CB -0.362 62.853 63.200 0.025 0.000 0.769 460 S HN 0.861 nan 8.310 nan 0.000 0.533 461 G N 0.378 109.139 108.800 -0.065 0.000 3.042 461 G HA2 0.189 4.151 3.960 0.004 0.000 0.212 461 G HA3 0.189 4.151 3.960 0.004 0.000 0.212 461 G C 0.307 175.114 174.900 -0.155 0.000 1.166 461 G CA -0.496 44.554 45.100 -0.083 0.000 0.767 461 G HN 0.574 nan 8.290 nan 0.000 0.546 462 Q N 0.975 120.599 119.800 -0.294 0.000 2.337 462 Q HA 0.267 4.610 4.340 0.004 0.000 0.270 462 Q C -0.267 175.497 176.000 -0.393 0.000 1.002 462 Q CA 0.301 55.766 55.803 -0.564 0.000 0.888 462 Q CB 0.789 28.723 28.738 -1.340 0.000 1.222 462 Q HN 0.025 nan 8.270 nan 0.000 0.400 463 K N 1.511 121.772 120.400 -0.231 0.000 2.221 463 K HA 0.546 4.868 4.320 0.004 0.000 0.243 463 K C -0.435 176.202 176.600 0.061 0.000 0.968 463 K CA -0.651 55.621 56.287 -0.026 0.000 0.846 463 K CB 1.930 34.417 32.500 -0.021 0.000 1.141 463 K HN 0.424 nan 8.250 nan 0.000 0.434 464 T N 1.365 115.954 114.554 0.057 0.000 2.856 464 T HA 0.422 4.775 4.350 0.004 0.000 0.283 464 T C -0.867 173.767 174.700 -0.111 0.000 1.008 464 T CA -0.634 61.415 62.100 -0.085 0.000 0.997 464 T CB 1.028 69.787 68.868 -0.181 0.000 0.992 464 T HN 0.252 nan 8.240 nan 0.000 0.454 465 K N 3.545 123.843 120.400 -0.170 0.000 2.656 465 K HA 0.444 4.766 4.320 0.004 0.000 0.241 465 K C -1.234 175.258 176.600 -0.180 0.000 0.967 465 K CA -0.346 55.861 56.287 -0.134 0.000 0.946 465 K CB 1.110 33.560 32.500 -0.084 0.000 1.164 465 K HN 0.499 nan 8.250 nan 0.000 0.459 466 I N 6.284 126.758 120.570 -0.160 0.000 2.405 466 I HA 0.410 4.582 4.170 0.004 0.000 0.280 466 I C -0.257 175.808 176.117 -0.087 0.000 1.027 466 I CA -0.726 60.490 61.300 -0.140 0.000 1.161 466 I CB 0.773 38.694 38.000 -0.133 0.000 1.300 466 I HN 0.433 nan 8.210 nan 0.000 0.463 467 I N 2.169 122.692 120.570 -0.079 0.000 2.656 467 I HA 0.487 4.659 4.170 0.004 0.000 0.292 467 I C 0.216 176.303 176.117 -0.050 0.000 1.144 467 I CA -0.746 60.519 61.300 -0.058 0.000 1.038 467 I CB 2.164 40.130 38.000 -0.058 0.000 1.244 467 I HN 0.526 nan 8.210 nan 0.000 0.420 468 S N 3.592 119.269 115.700 -0.038 0.000 3.711 468 S HA -0.150 4.322 4.470 0.004 0.000 0.374 468 S C -0.412 174.171 174.600 -0.029 0.000 0.969 468 S CA 0.858 59.039 58.200 -0.031 0.000 1.198 468 S CB -1.526 61.656 63.200 -0.029 0.000 0.903 468 S HN 0.948 nan 8.310 nan 0.000 0.493 469 N N 0.797 119.480 118.700 -0.028 0.000 2.813 469 N HA 0.383 5.125 4.740 0.004 0.000 0.320 469 N C 0.151 175.646 175.510 -0.026 0.000 1.315 469 N CA -0.839 52.197 53.050 -0.023 0.000 0.871 469 N CB 0.398 38.873 38.487 -0.020 0.000 1.241 469 N HN 0.586 nan 8.380 nan 0.000 0.602 470 R N 0.100 120.583 120.500 -0.028 0.000 2.489 470 R HA 0.225 4.567 4.340 0.004 0.000 0.287 470 R C 0.468 176.737 176.300 -0.050 0.000 1.053 470 R CA -0.160 55.916 56.100 -0.039 0.000 1.036 470 R CB -0.103 30.169 30.300 -0.046 0.000 0.966 470 R HN 0.610 nan 8.270 nan 0.000 0.432 471 G N 2.573 111.346 108.800 -0.046 0.000 2.491 471 G HA2 -0.040 3.922 3.960 0.004 0.000 0.242 471 G HA3 -0.040 3.922 3.960 0.004 0.000 0.242 471 G C 0.432 175.295 174.900 -0.063 0.000 1.266 471 G CA -0.531 44.541 45.100 -0.047 0.000 0.844 471 G HN 0.846 nan 8.290 nan 0.000 0.571 472 E N 0.834 120.999 120.200 -0.058 0.000 2.136 472 E HA -0.281 4.071 4.350 0.004 0.000 0.208 472 E C 2.129 178.692 176.600 -0.062 0.000 1.035 472 E CA 1.478 57.840 56.400 -0.063 0.000 0.838 472 E CB -0.137 29.536 29.700 -0.044 0.000 0.748 472 E HN 0.718 nan 8.360 nan 0.000 0.459 473 N N 0.648 119.320 118.700 -0.047 0.000 2.043 473 N HA -0.208 4.534 4.740 0.004 0.000 0.193 473 N C 1.893 177.375 175.510 -0.047 0.000 1.037 473 N CA 1.557 54.582 53.050 -0.041 0.000 0.851 473 N CB 0.007 38.475 38.487 -0.032 0.000 1.027 473 N HN -0.050 nan 8.380 nan 0.000 0.422 474 K N 1.116 121.486 120.400 -0.050 0.000 2.026 474 K HA -0.011 4.311 4.320 0.004 0.000 0.208 474 K C 2.285 178.845 176.600 -0.066 0.000 1.048 474 K CA 1.251 57.508 56.287 -0.050 0.000 0.929 474 K CB -0.716 31.757 32.500 -0.045 0.000 0.713 474 K HN 0.292 nan 8.250 nan 0.000 0.439 475 c N 0.955 119.497 118.600 -0.096 0.000 2.413 475 c HA -0.090 4.482 4.570 0.004 0.000 0.276 475 c C 2.565 176.588 174.090 -0.112 0.000 1.236 475 c CA 1.045 57.289 56.329 -0.142 0.000 1.735 475 c CB -0.705 41.660 42.510 -0.242 0.000 2.031 475 c HN 0.573 nan 8.230 nan 0.000 0.474 476 K N 1.330 121.675 120.400 -0.091 0.000 2.032 476 K HA -0.176 4.147 4.320 0.004 0.000 0.209 476 K C 2.127 178.699 176.600 -0.047 0.000 1.048 476 K CA 1.846 58.094 56.287 -0.063 0.000 0.927 476 K CB -0.389 32.080 32.500 -0.051 0.000 0.712 476 K HN 0.425 nan 8.250 nan 0.000 0.441 477 A N 0.371 123.165 122.820 -0.044 0.000 2.076 477 A HA -0.098 4.224 4.320 0.004 0.000 0.220 477 A C 1.652 179.218 177.584 -0.030 0.000 1.160 477 A CA 2.004 54.021 52.037 -0.033 0.000 0.653 477 A CB -0.427 18.555 19.000 -0.030 0.000 0.801 477 A HN 0.509 nan 8.150 nan 0.000 0.455 478 T N -2.318 112.215 114.554 -0.036 0.000 3.092 478 T HA 0.431 4.784 4.350 0.004 0.000 0.258 478 T C 1.275 175.962 174.700 -0.021 0.000 1.031 478 T CA 0.651 62.735 62.100 -0.027 0.000 0.925 478 T CB 0.383 69.235 68.868 -0.027 0.000 1.036 478 T HN 1.414 nan 8.240 nan 0.000 0.544 479 G N 2.314 111.099 108.800 -0.025 0.000 2.162 479 G HA2 -0.287 3.675 3.960 0.004 0.000 0.260 479 G HA3 -0.287 3.675 3.960 0.004 0.000 0.260 479 G C 0.071 174.974 174.900 0.006 0.000 0.976 479 G CA -0.248 44.843 45.100 -0.014 0.000 0.655 479 G HN 0.596 nan 8.290 nan 0.000 0.533 480 Q N 0.192 119.975 119.800 -0.028 0.000 2.844 480 Q HA 0.569 4.911 4.340 0.004 0.000 0.235 480 Q C -0.240 175.665 176.000 -0.157 0.000 1.336 480 Q CA -0.105 55.681 55.803 -0.030 0.000 1.026 480 Q CB 1.267 29.936 28.738 -0.116 0.000 1.513 480 Q HN 0.249 nan 8.270 nan 0.000 0.577 481 V N 0.357 120.348 119.914 0.130 0.000 3.114 481 V HA 0.197 4.319 4.120 0.004 0.000 0.308 481 V C -0.371 175.880 176.094 0.263 0.000 1.168 481 V CA -1.014 61.359 62.300 0.122 0.000 1.015 481 V CB 2.516 34.350 31.823 0.017 0.000 1.050 481 V HN 0.660 nan 8.190 nan 0.000 0.433 482 c N 3.093 121.814 118.600 0.202 0.000 2.517 482 c HA 0.079 4.651 4.570 0.004 0.000 0.403 482 c C 0.926 175.090 174.090 0.122 0.000 1.467 482 c CA 0.211 56.627 56.329 0.146 0.000 1.542 482 c CB -1.848 40.707 42.510 0.075 0.000 2.482 482 c HN 0.962 nan 8.230 nan 0.000 0.610 483 H N 2.278 121.366 119.070 0.029 0.000 3.107 483 H HA 0.126 4.684 4.556 0.004 0.000 0.342 483 H C 1.243 176.575 175.328 0.006 0.000 1.076 483 H CA 0.790 56.846 56.048 0.014 0.000 1.356 483 H CB 0.731 30.491 29.762 -0.004 0.000 1.281 483 H HN 0.814 nan 8.280 nan 0.000 0.604 484 A N 4.676 127.568 122.820 0.120 0.000 1.917 484 A HA -0.186 4.136 4.320 0.004 0.000 0.219 484 A C 2.230 179.939 177.584 0.208 0.000 1.182 484 A CA 1.707 53.833 52.037 0.149 0.000 0.633 484 A CB -0.634 18.400 19.000 0.057 0.000 0.819 484 A HN 0.746 nan 8.150 nan 0.000 0.448 485 L N -0.191 121.233 121.223 0.336 0.000 2.622 485 L HA -0.046 4.297 4.340 0.004 0.000 0.233 485 L C 0.106 176.987 176.870 0.018 0.000 1.156 485 L CA -0.547 54.340 54.840 0.078 0.000 0.866 485 L CB -0.669 41.349 42.059 -0.068 0.000 0.980 485 L HN 0.367 nan 8.230 nan 0.000 0.448 486 c N -0.055 118.574 118.600 0.049 0.000 2.401 486 c HA 0.385 4.958 4.570 0.004 0.000 0.365 486 c C 1.355 175.448 174.090 0.006 0.000 1.250 486 c CA -1.326 55.009 56.329 0.011 0.000 2.131 486 c CB 0.871 43.389 42.510 0.013 0.000 2.445 486 c HN 0.493 nan 8.230 nan 0.000 0.550 487 S N 2.377 118.070 115.700 -0.012 0.000 2.606 487 S HA 0.151 4.623 4.470 0.004 0.000 0.257 487 S C -2.077 172.509 174.600 -0.022 0.000 1.327 487 S CA -0.495 57.695 58.200 -0.016 0.000 0.984 487 S CB -0.298 62.888 63.200 -0.023 0.000 0.941 487 S HN 0.634 nan 8.310 nan 0.000 0.576 488 P HA 0.116 nan 4.420 nan 0.000 0.259 488 P C 0.307 177.579 177.300 -0.048 0.000 1.307 488 P CA 0.520 63.603 63.100 -0.029 0.000 0.768 488 P CB -0.162 31.525 31.700 -0.022 0.000 1.199 489 E N -0.373 119.791 120.200 -0.060 0.000 2.479 489 E HA 0.235 4.587 4.350 0.004 0.000 0.193 489 E C 0.955 177.468 176.600 -0.144 0.000 1.049 489 E CA 0.113 56.459 56.400 -0.090 0.000 0.870 489 E CB 0.106 29.759 29.700 -0.078 0.000 0.944 489 E HN 0.206 nan 8.360 nan 0.000 0.492 490 G N 0.011 108.732 108.800 -0.131 0.000 2.566 490 G HA2 -0.190 3.772 3.960 0.004 0.000 0.599 490 G HA3 -0.190 3.772 3.960 0.004 0.000 0.599 490 G C -0.625 174.143 174.900 -0.220 0.000 1.292 490 G CA -0.641 44.346 45.100 -0.189 0.000 0.922 490 G HN 0.202 nan 8.290 nan 0.000 0.514 491 c N -1.674 116.754 118.600 -0.287 0.000 2.779 491 c HA 0.767 5.339 4.570 0.004 0.000 0.314 491 c C 0.364 174.168 174.090 -0.477 0.000 1.231 491 c CA -0.293 55.889 56.329 -0.245 0.000 1.652 491 c CB 1.658 44.116 42.510 -0.087 0.000 2.198 491 c HN 0.753 nan 8.230 nan 0.000 0.483 492 W N 1.352 122.548 121.300 -0.174 0.000 2.991 492 W HA 0.493 5.156 4.660 0.004 0.000 0.391 492 W C 0.938 177.292 176.519 -0.274 0.000 1.054 492 W CA 0.480 57.724 57.345 -0.168 0.000 1.856 492 W CB 0.458 29.830 29.460 -0.146 0.000 1.132 492 W HN 1.120 nan 8.180 nan 0.000 0.601 493 G N -0.271 108.275 108.800 -0.423 0.000 2.343 493 G HA2 0.018 3.980 3.960 0.004 0.000 0.289 493 G HA3 0.018 3.980 3.960 0.004 0.000 0.289 493 G C -2.504 171.873 174.900 -0.871 0.000 1.295 493 G CA -0.562 44.014 45.100 -0.874 0.000 0.869 493 G HN -0.356 nan 8.290 nan 0.000 0.522 494 P HA 0.070 nan 4.420 nan 0.000 0.215 494 P C 0.595 177.890 177.300 -0.009 0.000 1.157 494 P CA 0.804 63.803 63.100 -0.169 0.000 0.856 494 P CB 0.129 31.845 31.700 0.026 0.000 0.786 495 E N 0.919 121.108 120.200 -0.019 0.000 2.459 495 E HA -0.040 4.312 4.350 0.004 0.000 0.264 495 E C -1.309 175.259 176.600 -0.054 0.000 1.055 495 E CA -1.064 55.346 56.400 0.018 0.000 0.957 495 E CB 0.136 29.830 29.700 -0.010 0.000 0.952 495 E HN 0.226 nan 8.360 nan 0.000 0.448 496 P HA -0.173 nan 4.420 nan 0.000 0.223 496 P C 0.639 177.846 177.300 -0.156 0.000 1.151 496 P CA 1.351 64.254 63.100 -0.330 0.000 0.787 496 P CB 0.039 31.437 31.700 -0.503 0.000 0.788 497 R N -0.861 119.579 120.500 -0.099 0.000 2.313 497 R HA 0.091 4.434 4.340 0.004 0.000 0.199 497 R C 0.806 177.090 176.300 -0.026 0.000 0.958 497 R CA 0.539 56.603 56.100 -0.059 0.000 1.047 497 R CB -0.773 29.497 30.300 -0.049 0.000 0.955 497 R HN -0.002 nan 8.270 nan 0.000 0.481 498 D N 0.797 121.184 120.400 -0.022 0.000 2.348 498 D HA 0.042 4.684 4.640 0.004 0.000 0.211 498 D C 0.207 176.558 176.300 0.086 0.000 0.998 498 D CA 0.045 54.066 54.000 0.035 0.000 0.873 498 D CB 0.083 40.865 40.800 -0.030 0.000 0.925 498 D HN 0.254 nan 8.370 nan 0.000 0.524 499 c N 0.712 119.322 118.600 0.017 0.000 2.689 499 c HA 0.120 4.692 4.570 0.004 0.000 0.409 499 c C 2.456 176.570 174.090 0.040 0.000 1.293 499 c CA -0.924 55.405 56.329 -0.001 0.000 2.136 499 c CB 0.884 43.377 42.510 -0.028 0.000 2.719 499 c HN 0.045 nan 8.230 nan 0.000 0.644 500 V N 2.067 121.975 119.914 -0.011 0.000 2.358 500 V HA -0.039 4.084 4.120 0.004 0.000 0.246 500 V C 1.109 177.197 176.094 -0.010 0.000 1.047 500 V CA 2.207 64.509 62.300 0.002 0.000 1.035 500 V CB -0.735 31.034 31.823 -0.089 0.000 0.658 500 V HN 1.066 nan 8.190 nan 0.000 0.452 501 S N -2.717 112.967 115.700 -0.027 0.000 2.547 501 S HA 0.444 4.916 4.470 0.004 0.000 0.270 501 S C -0.918 173.665 174.600 -0.029 0.000 1.150 501 S CA -1.035 57.149 58.200 -0.026 0.000 0.850 501 S CB 1.150 64.334 63.200 -0.027 0.000 1.118 501 S HN 0.189 nan 8.310 nan 0.000 0.461 502 c N 1.301 119.883 118.600 -0.029 0.000 2.443 502 c HA 0.855 5.427 4.570 0.004 0.000 0.369 502 c C 2.297 176.375 174.090 -0.021 0.000 1.241 502 c CA -0.071 56.241 56.329 -0.030 0.000 2.413 502 c CB 0.294 42.782 42.510 -0.037 0.000 2.451 502 c HN 1.214 nan 8.230 nan 0.000 0.595 503 R N 1.169 121.661 120.500 -0.013 0.000 2.200 503 R HA 0.037 4.379 4.340 0.004 0.000 0.208 503 R C 1.120 177.415 176.300 -0.009 0.000 1.033 503 R CA 1.246 57.341 56.100 -0.007 0.000 1.000 503 R CB -0.764 29.538 30.300 0.002 0.000 0.906 503 R HN 0.842 nan 8.270 nan 0.000 0.462 504 N N -1.234 117.458 118.700 -0.013 0.000 2.994 504 N HA 0.262 5.004 4.740 0.004 0.000 0.216 504 N C 0.009 175.506 175.510 -0.022 0.000 1.166 504 N CA 1.395 54.437 53.050 -0.014 0.000 1.155 504 N CB 0.595 39.076 38.487 -0.010 0.000 1.489 504 N HN 0.226 nan 8.380 nan 0.000 0.556 505 V N -0.088 119.808 119.914 -0.029 0.000 3.181 505 V HA 0.715 4.838 4.120 0.004 0.000 0.308 505 V C -0.711 175.355 176.094 -0.047 0.000 1.214 505 V CA -1.022 61.255 62.300 -0.039 0.000 1.053 505 V CB 1.638 33.437 31.823 -0.040 0.000 1.069 505 V HN 0.503 nan 8.190 nan 0.000 0.441 506 S N 0.154 115.821 115.700 -0.055 0.000 2.541 506 S HA 0.666 5.138 4.470 0.004 0.000 0.280 506 S C -0.103 174.457 174.600 -0.066 0.000 1.112 506 S CA -0.972 57.193 58.200 -0.059 0.000 0.925 506 S CB 2.806 65.974 63.200 -0.054 0.000 1.067 506 S HN 0.682 nan 8.310 nan 0.000 0.479 507 R N 1.829 122.292 120.500 -0.062 0.000 1.895 507 R HA 0.260 4.602 4.340 0.004 0.000 0.164 507 R C 1.847 178.112 176.300 -0.059 0.000 1.151 507 R CA 1.180 57.243 56.100 -0.061 0.000 1.395 507 R CB -1.096 29.174 30.300 -0.051 0.000 0.735 507 R HN 0.803 nan 8.270 nan 0.000 0.568 508 G N 0.615 109.385 108.800 -0.049 0.000 2.672 508 G HA2 -0.092 3.870 3.960 0.004 0.000 0.200 508 G HA3 -0.092 3.870 3.960 0.004 0.000 0.200 508 G C 0.926 175.800 174.900 -0.044 0.000 1.819 508 G CA 0.086 45.160 45.100 -0.044 0.000 0.902 508 G HN 0.249 nan 8.290 nan 0.000 0.512 509 R N 0.558 121.034 120.500 -0.041 0.000 2.297 509 R HA 0.303 4.646 4.340 0.004 0.000 0.197 509 R C 0.858 177.130 176.300 -0.046 0.000 0.943 509 R CA 0.017 56.092 56.100 -0.041 0.000 1.038 509 R CB -0.214 30.062 30.300 -0.040 0.000 0.957 509 R HN 0.501 nan 8.270 nan 0.000 0.484 510 E N 0.374 120.542 120.200 -0.052 0.000 2.242 510 E HA 0.278 4.630 4.350 0.004 0.000 0.275 510 E C -0.829 175.727 176.600 -0.074 0.000 1.002 510 E CA -0.812 55.548 56.400 -0.066 0.000 0.841 510 E CB 1.092 30.753 29.700 -0.065 0.000 1.109 510 E HN 0.123 nan 8.360 nan 0.000 0.394 511 c N 3.863 122.404 118.600 -0.098 0.000 2.401 511 c HA 0.602 5.175 4.570 0.004 0.000 0.365 511 c C -0.102 173.925 174.090 -0.106 0.000 1.250 511 c CA -0.580 55.690 56.329 -0.098 0.000 2.131 511 c CB -0.193 42.253 42.510 -0.106 0.000 2.445 511 c HN 0.530 nan 8.230 nan 0.000 0.550 512 V N 1.155 121.026 119.914 -0.072 0.000 3.159 512 V HA 0.618 4.741 4.120 0.004 0.000 0.308 512 V C 0.094 176.168 176.094 -0.033 0.000 1.190 512 V CA -0.607 61.660 62.300 -0.054 0.000 1.037 512 V CB 1.972 33.768 31.823 -0.046 0.000 1.060 512 V HN 0.777 nan 8.190 nan 0.000 0.437 513 D N 0.737 121.126 120.400 -0.017 0.000 2.240 513 D HA 0.084 4.726 4.640 0.004 0.000 0.206 513 D C 0.354 176.649 176.300 -0.008 0.000 0.963 513 D CA 0.967 54.964 54.000 -0.005 0.000 0.863 513 D CB 0.157 40.961 40.800 0.007 0.000 0.973 513 D HN 0.825 nan 8.370 nan 0.000 0.501 514 K N -1.074 119.319 120.400 -0.011 0.000 2.551 514 K HA 0.490 4.812 4.320 0.004 0.000 0.269 514 K C -1.028 175.562 176.600 -0.017 0.000 0.949 514 K CA -0.772 55.509 56.287 -0.011 0.000 0.849 514 K CB 1.250 33.748 32.500 -0.004 0.000 1.411 514 K HN -0.100 nan 8.250 nan 0.000 0.432 515 c N 1.094 119.682 118.600 -0.019 0.000 2.633 515 c HA 0.243 4.815 4.570 0.004 0.000 0.345 515 c C 0.433 174.518 174.090 -0.009 0.000 1.384 515 c CA -0.580 55.735 56.329 -0.023 0.000 2.418 515 c CB -0.146 42.344 42.510 -0.032 0.000 2.425 515 c HN 0.810 nan 8.230 nan 0.000 0.705 516 K N 1.198 121.594 120.400 -0.007 0.000 3.192 516 K HA 0.258 4.581 4.320 0.004 0.000 0.269 516 K C -0.800 175.811 176.600 0.019 0.000 1.270 516 K CA 0.150 56.440 56.287 0.004 0.000 1.249 516 K CB -0.402 32.099 32.500 0.002 0.000 1.528 516 K HN 0.430 nan 8.250 nan 0.000 0.360 517 L N 1.717 122.954 121.223 0.023 0.000 2.361 517 L HA 0.135 4.478 4.340 0.004 0.000 0.278 517 L C 0.830 177.714 176.870 0.023 0.000 1.113 517 L CA -0.015 54.845 54.840 0.034 0.000 0.849 517 L CB 0.113 42.195 42.059 0.037 0.000 1.155 517 L HN 0.464 nan 8.230 nan 0.000 0.452 518 L N 0.650 121.887 121.223 0.022 0.000 3.853 518 L HA -0.214 4.128 4.340 0.004 0.000 0.416 518 L C 0.225 177.102 176.870 0.011 0.000 0.766 518 L CA 0.899 55.748 54.840 0.015 0.000 2.383 518 L CB -1.969 40.098 42.059 0.013 0.000 1.276 518 L HN 0.866 nan 8.230 nan 0.000 0.597 519 E N 0.124 120.330 120.200 0.011 0.000 2.431 519 E HA 0.643 4.996 4.350 0.004 0.000 0.287 519 E C -0.042 176.563 176.600 0.007 0.000 1.032 519 E CA 0.406 56.810 56.400 0.007 0.000 0.839 519 E CB 1.285 30.988 29.700 0.006 0.000 1.218 519 E HN 1.434 nan 8.360 nan 0.000 0.424 520 G N -1.098 107.705 108.800 0.005 0.000 2.334 520 G HA2 0.548 4.510 3.960 0.004 0.000 0.566 520 G HA3 0.548 4.510 3.960 0.004 0.000 0.566 520 G C 0.528 175.430 174.900 0.003 0.000 1.413 520 G CA 0.850 45.952 45.100 0.003 0.000 0.993 520 G HN 1.631 nan 8.290 nan 0.000 0.642 521 E N 0.233 120.434 120.200 0.001 0.000 1.993 521 E HA 0.204 4.556 4.350 0.004 0.000 0.198 521 E C -0.557 176.044 176.600 0.001 0.000 0.999 521 E CA 1.813 58.213 56.400 -0.000 0.000 0.850 521 E CB -1.516 28.183 29.700 -0.002 0.000 0.796 521 E HN 0.881 nan 8.360 nan 0.000 0.482 522 P HA 0.487 nan 4.420 nan 0.000 0.292 522 P C -0.407 176.901 177.300 0.013 0.000 1.326 522 P CA 0.047 63.150 63.100 0.005 0.000 0.787 522 P CB 0.699 32.399 31.700 -0.000 0.000 0.903 523 R N 2.478 122.991 120.500 0.023 0.000 2.643 523 R HA 0.352 4.694 4.340 0.004 0.000 0.270 523 R C 0.257 176.596 176.300 0.064 0.000 1.061 523 R CA 0.021 56.143 56.100 0.036 0.000 1.107 523 R CB -0.336 29.985 30.300 0.035 0.000 0.999 523 R HN 0.632 nan 8.270 nan 0.000 0.460 524 E N -0.444 119.801 120.200 0.075 0.000 2.416 524 E HA 0.661 5.014 4.350 0.004 0.000 0.273 524 E C -0.919 175.790 176.600 0.181 0.000 0.935 524 E CA -0.615 55.843 56.400 0.097 0.000 0.784 524 E CB 2.140 31.836 29.700 -0.007 0.000 1.301 524 E HN 0.643 nan 8.360 nan 0.000 0.454 525 F N -1.350 118.603 119.950 0.005 0.000 2.639 525 F HA 0.856 5.386 4.527 0.004 0.000 0.339 525 F C -0.979 174.823 175.800 0.003 0.000 1.071 525 F CA -1.080 56.923 58.000 0.004 0.000 0.994 525 F CB 0.673 39.676 39.000 0.006 0.000 1.341 525 F HN 0.154 nan 8.300 nan 0.000 0.498 526 V N 0.670 120.557 119.914 -0.046 0.000 2.715 526 V HA 0.613 4.735 4.120 0.004 0.000 0.310 526 V C -1.168 174.887 176.094 -0.066 0.000 1.054 526 V CA -0.738 61.475 62.300 -0.145 0.000 0.928 526 V CB 1.599 33.401 31.823 -0.035 0.000 1.007 526 V HN 0.934 nan 8.190 nan 0.000 0.437 527 E N 2.346 122.478 120.200 -0.115 0.000 2.506 527 E HA 0.372 4.724 4.350 0.004 0.000 0.308 527 E C -1.013 175.563 176.600 -0.039 0.000 0.931 527 E CA -0.955 55.433 56.400 -0.020 0.000 0.800 527 E CB 1.046 30.778 29.700 0.054 0.000 1.292 527 E HN 0.494 nan 8.360 nan 0.000 0.401 528 N N 2.119 120.811 118.700 -0.014 0.000 2.727 528 N HA -0.208 4.534 4.740 0.004 0.000 0.251 528 N C -0.506 174.984 175.510 -0.033 0.000 1.040 528 N CA 1.312 54.352 53.050 -0.017 0.000 0.712 528 N CB -1.869 36.610 38.487 -0.013 0.000 0.912 528 N HN 0.749 nan 8.380 nan 0.000 0.545 529 S N -2.321 113.358 115.700 -0.034 0.000 3.473 529 S HA -0.270 4.203 4.470 0.004 0.000 0.339 529 S C 0.157 174.720 174.600 -0.061 0.000 1.148 529 S CA 1.464 59.640 58.200 -0.041 0.000 0.969 529 S CB -0.766 62.416 63.200 -0.030 0.000 0.936 529 S HN 0.684 nan 8.310 nan 0.000 0.530 530 E N -0.531 119.616 120.200 -0.088 0.000 2.195 530 E HA 0.425 4.777 4.350 0.004 0.000 0.271 530 E C -0.539 175.953 176.600 -0.181 0.000 0.923 530 E CA -0.741 55.589 56.400 -0.118 0.000 0.790 530 E CB 1.317 30.948 29.700 -0.115 0.000 1.155 530 E HN 0.324 nan 8.360 nan 0.000 0.402 531 c N 4.032 122.532 118.600 -0.166 0.000 2.223 531 c HA 0.439 5.011 4.570 0.004 0.000 0.324 531 c C -0.154 173.795 174.090 -0.235 0.000 1.196 531 c CA -0.796 55.415 56.329 -0.196 0.000 1.628 531 c CB -1.508 40.933 42.510 -0.114 0.000 2.229 531 c HN 0.505 nan 8.230 nan 0.000 0.486 532 I N 3.085 123.399 120.570 -0.427 0.000 2.359 532 I HA 0.234 4.406 4.170 0.004 0.000 0.294 532 I C 0.526 176.534 176.117 -0.182 0.000 0.987 532 I CA 0.174 61.246 61.300 -0.380 0.000 1.225 532 I CB 0.833 38.453 38.000 -0.634 0.000 1.366 532 I HN 0.593 nan 8.210 nan 0.000 0.466 533 Q N 3.591 123.380 119.800 -0.020 0.000 2.395 533 Q HA 0.167 4.509 4.340 0.004 0.000 0.271 533 Q C -0.619 175.491 176.000 0.183 0.000 1.026 533 Q CA -0.175 55.666 55.803 0.064 0.000 0.900 533 Q CB 0.687 29.446 28.738 0.034 0.000 1.266 533 Q HN 0.628 nan 8.270 nan 0.000 0.430 534 c N 2.221 120.925 118.600 0.173 0.000 2.601 534 c HA 0.064 4.637 4.570 0.004 0.000 0.409 534 c C 0.610 174.782 174.090 0.138 0.000 1.293 534 c CA -0.442 55.997 56.329 0.182 0.000 2.101 534 c CB -0.786 41.801 42.510 0.129 0.000 2.639 534 c HN 0.824 nan 8.230 nan 0.000 0.592 535 H N 3.874 122.982 119.070 0.063 0.000 3.115 535 H HA 0.034 4.592 4.556 0.004 0.000 0.324 535 H C -1.676 173.668 175.328 0.027 0.000 1.007 535 H CA -0.250 55.824 56.048 0.043 0.000 1.385 535 H CB 0.623 30.405 29.762 0.033 0.000 1.351 535 H HN 0.426 nan 8.280 nan 0.000 0.592 536 P HA -0.101 nan 4.420 nan 0.000 0.228 536 P C 0.388 177.640 177.300 -0.079 0.000 1.151 536 P CA 0.946 63.923 63.100 -0.206 0.000 0.770 536 P CB 0.339 31.897 31.700 -0.237 0.000 0.786 537 E N -1.216 119.034 120.200 0.084 0.000 2.437 537 E HA 0.059 4.411 4.350 0.004 0.000 0.189 537 E C -0.146 176.518 176.600 0.106 0.000 1.054 537 E CA 0.018 56.523 56.400 0.175 0.000 0.874 537 E CB -0.490 29.416 29.700 0.342 0.000 1.011 537 E HN 0.243 nan 8.360 nan 0.000 0.474 538 c N 1.118 119.775 118.600 0.094 0.000 2.350 538 c HA 0.381 4.953 4.570 0.004 0.000 0.348 538 c C 0.885 174.959 174.090 -0.026 0.000 1.260 538 c CA -1.028 55.314 56.329 0.023 0.000 1.966 538 c CB 0.197 42.730 42.510 0.038 0.000 2.380 538 c HN 0.289 nan 8.230 nan 0.000 0.535 539 L N 5.709 126.901 121.223 -0.052 0.000 2.418 539 L HA 0.204 4.547 4.340 0.004 0.000 0.274 539 L C -1.694 175.158 176.870 -0.030 0.000 1.135 539 L CA -1.037 53.768 54.840 -0.059 0.000 0.870 539 L CB 0.975 42.995 42.059 -0.065 0.000 1.154 539 L HN 0.460 nan 8.230 nan 0.000 0.462 540 P HA -0.056 nan 4.420 nan 0.000 0.260 540 P C -0.859 176.434 177.300 -0.012 0.000 1.185 540 P CA 0.165 63.258 63.100 -0.011 0.000 0.763 540 P CB 0.409 32.102 31.700 -0.010 0.000 0.776 541 Q N 1.961 121.758 119.800 -0.006 0.000 2.214 541 Q HA 0.404 4.746 4.340 0.004 0.000 0.251 541 Q C 1.184 177.183 176.000 -0.003 0.000 0.936 541 Q CA -0.546 55.253 55.803 -0.007 0.000 0.894 541 Q CB 1.841 30.576 28.738 -0.006 0.000 1.252 541 Q HN 0.436 nan 8.270 nan 0.000 0.448 542 A N 2.247 125.065 122.820 -0.004 0.000 1.855 542 A HA -0.092 4.230 4.320 0.004 0.000 0.213 542 A C 1.647 179.231 177.584 0.000 0.000 1.195 542 A CA 1.184 53.220 52.037 -0.001 0.000 0.610 542 A CB -0.066 18.933 19.000 -0.002 0.000 0.837 542 A HN 0.639 nan 8.150 nan 0.000 0.444 543 M N -0.305 119.295 119.600 -0.001 0.000 2.171 543 M HA 0.113 4.596 4.480 0.004 0.000 0.260 543 M C 0.403 176.704 176.300 0.002 0.000 1.087 543 M CA 0.892 56.192 55.300 0.000 0.000 1.154 543 M CB -1.732 30.867 32.600 -0.001 0.000 1.331 543 M HN 0.325 nan 8.290 nan 0.000 0.431 544 N N 0.257 118.957 118.700 0.001 0.000 2.725 544 N HA 0.477 5.219 4.740 0.004 0.000 0.312 544 N C -0.064 175.450 175.510 0.007 0.000 1.295 544 N CA -0.704 52.348 53.050 0.003 0.000 0.914 544 N CB 0.763 39.249 38.487 -0.000 0.000 1.177 544 N HN 0.206 nan 8.380 nan 0.000 0.601 545 I N -2.280 118.296 120.570 0.010 0.000 3.045 545 I HA 0.019 4.191 4.170 0.004 0.000 0.288 545 I C 0.018 176.143 176.117 0.012 0.000 1.238 545 I CA 0.278 61.589 61.300 0.018 0.000 1.396 545 I CB 0.369 38.383 38.000 0.024 0.000 1.355 545 I HN 0.381 nan 8.210 nan 0.000 0.601 546 T N 3.010 117.577 114.554 0.022 0.000 3.069 546 T HA 0.232 4.584 4.350 0.004 0.000 0.252 546 T C -0.016 174.690 174.700 0.009 0.000 1.053 546 T CA 0.425 62.535 62.100 0.015 0.000 0.964 546 T CB -0.627 68.255 68.868 0.023 0.000 1.005 546 T HN 0.901 nan 8.240 nan 0.000 0.532 547 c N -0.344 118.257 118.600 0.002 0.000 3.034 547 c HA 0.571 5.143 4.570 0.004 0.000 0.336 547 c C 0.823 174.843 174.090 -0.116 0.000 1.304 547 c CA -0.188 56.111 56.329 -0.050 0.000 1.197 547 c CB 0.911 43.401 42.510 -0.034 0.000 1.373 547 c HN 0.241 nan 8.230 nan 0.000 0.459 548 T N -1.410 113.003 114.554 -0.236 0.000 3.091 548 T HA 0.662 5.014 4.350 0.004 0.000 0.277 548 T C 0.652 174.948 174.700 -0.674 0.000 0.996 548 T CA 0.894 62.805 62.100 -0.315 0.000 0.897 548 T CB 0.076 68.837 68.868 -0.179 0.000 1.109 548 T HN 2.675 nan 8.240 nan 0.000 0.534 549 G N 0.455 108.652 108.800 -1.005 0.000 2.325 549 G HA2 0.334 4.296 3.960 0.004 0.000 0.295 549 G HA3 0.334 4.296 3.960 0.004 0.000 0.295 549 G C -0.239 174.309 174.900 -0.587 0.000 1.274 549 G CA -0.771 43.628 45.100 -1.169 0.000 0.857 549 G HN -0.004 nan 8.290 nan 0.000 0.499 550 R N -0.386 120.001 120.500 -0.188 0.000 2.075 550 R HA 0.160 4.502 4.340 0.004 0.000 0.226 550 R C 1.894 178.228 176.300 0.056 0.000 1.114 550 R CA 0.931 57.075 56.100 0.074 0.000 0.972 550 R CB -0.462 29.923 30.300 0.142 0.000 0.869 550 R HN 0.643 nan 8.270 nan 0.000 0.437 551 G N 1.212 110.004 108.800 -0.014 0.000 2.716 551 G HA2 -0.000 3.962 3.960 0.004 0.000 0.251 551 G HA3 -0.000 3.962 3.960 0.004 0.000 0.251 551 G C -1.799 173.020 174.900 -0.134 0.000 1.224 551 G CA -0.875 44.204 45.100 -0.035 0.000 0.891 551 G HN 0.100 nan 8.290 nan 0.000 0.561 552 P HA 0.063 nan 4.420 nan 0.000 0.252 552 P C -0.101 177.115 177.300 -0.140 0.000 1.265 552 P CA 0.670 63.506 63.100 -0.440 0.000 0.775 552 P CB 0.398 31.780 31.700 -0.531 0.000 1.128 553 D N -0.370 119.979 120.400 -0.086 0.000 2.392 553 D HA 0.018 4.661 4.640 0.004 0.000 0.206 553 D C 0.656 176.897 176.300 -0.099 0.000 1.046 553 D CA 0.605 54.552 54.000 -0.088 0.000 0.865 553 D CB -0.293 40.464 40.800 -0.073 0.000 0.969 553 D HN 0.251 nan 8.370 nan 0.000 0.509 554 N N -0.265 118.374 118.700 -0.103 0.000 2.380 554 N HA 0.162 4.904 4.740 0.004 0.000 0.255 554 N C -0.812 174.640 175.510 -0.097 0.000 1.158 554 N CA -0.224 52.755 53.050 -0.118 0.000 0.878 554 N CB 0.587 38.969 38.487 -0.176 0.000 1.138 554 N HN 0.000 nan 8.380 nan 0.000 0.509 555 c N 0.294 118.852 118.600 -0.070 0.000 2.539 555 c HA 0.249 4.821 4.570 0.004 0.000 0.392 555 c C 2.247 176.307 174.090 -0.050 0.000 1.269 555 c CA -0.706 55.596 56.329 -0.045 0.000 2.250 555 c CB 0.168 42.660 42.510 -0.030 0.000 2.584 555 c HN 0.508 nan 8.230 nan 0.000 0.589 556 I N 0.657 121.203 120.570 -0.039 0.000 2.252 556 I HA -0.108 4.064 4.170 0.004 0.000 0.245 556 I C 1.040 177.135 176.117 -0.037 0.000 1.102 556 I CA 1.618 62.896 61.300 -0.037 0.000 1.385 556 I CB -0.103 37.881 38.000 -0.027 0.000 1.064 556 I HN 0.777 nan 8.210 nan 0.000 0.414 557 Q N -0.302 119.478 119.800 -0.034 0.000 2.295 557 Q HA 0.265 4.607 4.340 0.004 0.000 0.268 557 Q C -1.487 174.489 176.000 -0.040 0.000 1.010 557 Q CA -0.627 55.155 55.803 -0.036 0.000 0.856 557 Q CB 2.024 30.742 28.738 -0.033 0.000 1.349 557 Q HN 0.121 nan 8.270 nan 0.000 0.412 558 c N 3.451 122.027 118.600 -0.041 0.000 2.482 558 c HA 0.477 5.049 4.570 0.004 0.000 0.378 558 c C 1.810 175.845 174.090 -0.091 0.000 1.284 558 c CA 0.268 56.571 56.329 -0.044 0.000 1.826 558 c CB -0.380 42.119 42.510 -0.019 0.000 2.473 558 c HN 1.010 nan 8.230 nan 0.000 0.562 559 A N 2.576 125.303 122.820 -0.155 0.000 2.024 559 A HA -0.143 4.179 4.320 0.004 0.000 0.220 559 A C 1.284 178.561 177.584 -0.512 0.000 1.164 559 A CA 1.821 53.653 52.037 -0.342 0.000 0.643 559 A CB -0.325 18.403 19.000 -0.454 0.000 0.806 559 A HN 1.037 nan 8.150 nan 0.000 0.451 560 H N -4.844 114.142 119.070 -0.140 0.000 4.939 560 H HA 0.433 4.991 4.556 0.004 0.000 0.096 560 H C -0.500 174.519 175.328 -0.516 0.000 1.270 560 H CA -0.367 55.447 56.048 -0.391 0.000 0.659 560 H CB 0.494 30.051 29.762 -0.341 0.000 1.488 560 H HN 0.312 nan 8.280 nan 0.000 0.151 561 Y N 0.238 120.639 120.300 0.168 0.000 2.602 561 Y HA 0.487 5.040 4.550 0.004 0.000 0.330 561 Y C -0.764 175.165 175.900 0.050 0.000 1.114 561 Y CA -1.131 57.021 58.100 0.087 0.000 1.182 561 Y CB 1.929 40.414 38.460 0.041 0.000 1.305 561 Y HN 0.175 nan 8.280 nan 0.000 0.502 562 I N 1.052 121.730 120.570 0.179 0.000 2.533 562 I HA 0.415 4.588 4.170 0.004 0.000 0.290 562 I C -1.856 174.246 176.117 -0.025 0.000 1.056 562 I CA -0.370 60.958 61.300 0.047 0.000 1.057 562 I CB 1.596 39.586 38.000 -0.016 0.000 1.240 562 I HN 0.642 nan 8.210 nan 0.000 0.423 563 D N 5.684 126.064 120.400 -0.034 0.000 2.542 563 D HA 0.594 5.237 4.640 0.004 0.000 0.252 563 D C 0.562 176.689 176.300 -0.289 0.000 1.222 563 D CA 0.942 54.911 54.000 -0.053 0.000 0.895 563 D CB 1.594 42.483 40.800 0.148 0.000 1.207 563 D HN 0.960 nan 8.370 nan 0.000 0.558 564 G N 5.103 113.366 108.800 -0.894 0.000 2.685 564 G HA2 -0.290 3.672 3.960 0.004 0.000 0.329 564 G HA3 -0.290 3.672 3.960 0.004 0.000 0.329 564 G C -1.259 173.241 174.900 -0.666 0.000 1.271 564 G CA 0.405 44.603 45.100 -1.503 0.000 1.003 564 G HN 0.569 nan 8.290 nan 0.000 0.549 565 P HA 0.170 nan 4.420 nan 0.000 0.255 565 P C 0.005 177.043 177.300 -0.436 0.000 1.248 565 P CA 0.605 63.425 63.100 -0.467 0.000 0.807 565 P CB 0.087 31.516 31.700 -0.451 0.000 1.150 566 H N -0.209 118.781 119.070 -0.133 0.000 2.473 566 H HA 0.226 4.784 4.556 0.003 0.000 0.327 566 H C 0.135 175.414 175.328 -0.081 0.000 1.105 566 H CA -0.627 55.360 56.048 -0.101 0.000 1.280 566 H CB 0.839 30.566 29.762 -0.058 0.000 1.450 566 H HN 0.012 nan 8.280 nan 0.000 0.492 567 c N 3.602 122.223 118.600 0.034 0.000 2.514 567 c HA 0.425 4.998 4.570 0.004 0.000 0.392 567 c C 0.815 174.962 174.090 0.095 0.000 1.294 567 c CA -0.690 55.667 56.329 0.047 0.000 1.957 567 c CB -0.420 42.102 42.510 0.020 0.000 2.541 567 c HN 0.474 nan 8.230 nan 0.000 0.569 568 V N 3.104 123.110 119.914 0.154 0.000 2.960 568 V HA 0.409 4.531 4.120 0.004 0.000 0.315 568 V C 0.946 177.199 176.094 0.265 0.000 1.087 568 V CA -0.879 61.535 62.300 0.190 0.000 0.982 568 V CB 1.726 33.645 31.823 0.161 0.000 1.039 568 V HN 0.904 nan 8.190 nan 0.000 0.437 569 K N 0.670 121.226 120.400 0.261 0.000 2.057 569 K HA -0.031 4.292 4.320 0.004 0.000 0.207 569 K C 0.508 177.279 176.600 0.283 0.000 1.049 569 K CA 1.735 58.196 56.287 0.290 0.000 0.931 569 K CB 0.128 32.746 32.500 0.197 0.000 0.714 569 K HN 0.963 nan 8.250 nan 0.000 0.440 570 T N -1.347 113.331 114.554 0.208 0.000 2.883 570 T HA 0.355 4.707 4.350 0.004 0.000 0.296 570 T C -0.534 174.181 174.700 0.024 0.000 1.117 570 T CA -1.074 61.093 62.100 0.111 0.000 1.006 570 T CB 1.515 70.399 68.868 0.026 0.000 1.191 570 T HN 0.032 nan 8.240 nan 0.000 0.508 571 c N 2.637 121.146 118.600 -0.152 0.000 2.652 571 c HA 0.368 4.940 4.570 0.004 0.000 0.412 571 c C -1.901 172.150 174.090 -0.066 0.000 1.294 571 c CA -0.727 55.542 56.329 -0.100 0.000 2.127 571 c CB -0.707 41.705 42.510 -0.164 0.000 2.691 571 c HN 0.649 nan 8.230 nan 0.000 0.615 572 P HA 0.222 nan 4.420 nan 0.000 0.261 572 P C -0.798 176.375 177.300 -0.211 0.000 1.183 572 P CA 0.839 63.829 63.100 -0.182 0.000 0.761 572 P CB 0.201 31.671 31.700 -0.384 0.000 0.785 573 A N 3.495 126.159 122.820 -0.260 0.000 2.605 573 A HA 0.592 4.915 4.320 0.004 0.000 0.293 573 A C 0.819 177.852 177.584 -0.918 0.000 1.216 573 A CA 0.018 51.852 52.037 -0.338 0.000 0.742 573 A CB 0.073 19.128 19.000 0.091 0.000 1.170 573 A HN 0.742 nan 8.150 nan 0.000 0.443 574 G N 1.023 108.703 108.800 -1.866 0.000 2.149 574 G HA2 -0.098 3.864 3.960 0.004 0.000 0.235 574 G HA3 -0.098 3.864 3.960 0.004 0.000 0.235 574 G C 0.199 174.688 174.900 -0.685 0.000 1.018 574 G CA 0.052 44.167 45.100 -1.642 0.000 0.728 574 G HN 1.360 nan 8.290 nan 0.000 0.508 575 V N 0.855 120.426 119.914 -0.571 0.000 2.811 575 V HA 0.510 4.632 4.120 0.004 0.000 0.302 575 V C 1.121 177.073 176.094 -0.238 0.000 1.063 575 V CA -0.015 62.104 62.300 -0.301 0.000 1.088 575 V CB 1.488 33.169 31.823 -0.237 0.000 0.982 575 V HN 0.495 nan 8.190 nan 0.000 0.485 576 M N 4.201 123.730 119.600 -0.118 0.000 2.217 576 M HA 0.512 4.995 4.480 0.004 0.000 0.352 576 M C 0.310 176.592 176.300 -0.030 0.000 1.376 576 M CA 0.374 55.631 55.300 -0.072 0.000 1.107 576 M CB 0.221 32.797 32.600 -0.041 0.000 1.723 576 M HN 0.765 nan 8.290 nan 0.000 0.461 577 G N 3.056 111.840 108.800 -0.026 0.000 3.209 577 G HA2 0.508 4.470 3.960 0.004 0.000 0.236 577 G HA3 0.508 4.470 3.960 0.004 0.000 0.236 577 G C -1.131 173.775 174.900 0.009 0.000 1.329 577 G CA -0.681 44.427 45.100 0.013 0.000 1.015 577 G HN 0.626 nan 8.290 nan 0.000 0.571 578 E N -0.817 119.393 120.200 0.018 0.000 2.442 578 E HA 0.086 4.439 4.350 0.004 0.000 0.260 578 E C 0.691 177.296 176.600 0.008 0.000 1.148 578 E CA 0.731 57.137 56.400 0.009 0.000 0.976 578 E CB 0.197 29.905 29.700 0.012 0.000 0.967 578 E HN 0.487 nan 8.360 nan 0.000 0.454 579 N N 1.611 120.314 118.700 0.004 0.000 2.681 579 N HA -0.343 4.399 4.740 0.004 0.000 0.250 579 N C -0.889 174.628 175.510 0.012 0.000 1.133 579 N CA 1.217 54.273 53.050 0.009 0.000 0.732 579 N CB -1.580 36.915 38.487 0.015 0.000 1.107 579 N HN 0.742 nan 8.380 nan 0.000 0.559 580 N N -1.489 117.215 118.700 0.007 0.000 2.698 580 N HA -0.214 4.528 4.740 0.004 0.000 0.258 580 N C -1.431 174.089 175.510 0.017 0.000 0.978 580 N CA 1.363 54.419 53.050 0.009 0.000 0.777 580 N CB -0.485 38.010 38.487 0.013 0.000 0.907 580 N HN 0.313 nan 8.380 nan 0.000 0.543 581 T N 1.517 116.081 114.554 0.018 0.000 2.801 581 T HA 0.297 4.650 4.350 0.004 0.000 0.306 581 T C 0.328 175.035 174.700 0.011 0.000 1.020 581 T CA -0.693 61.424 62.100 0.029 0.000 0.948 581 T CB 1.162 70.053 68.868 0.039 0.000 0.962 581 T HN 0.183 nan 8.240 nan 0.000 0.465 582 L N 4.228 125.458 121.223 0.012 0.000 2.516 582 L HA 0.179 4.521 4.340 0.004 0.000 0.288 582 L C -0.174 176.623 176.870 -0.121 0.000 1.246 582 L CA 0.583 55.381 54.840 -0.070 0.000 0.844 582 L CB 0.483 42.539 42.059 -0.003 0.000 1.106 582 L HN 0.402 nan 8.230 nan 0.000 0.509 583 V N 3.126 122.813 119.914 -0.379 0.000 2.495 583 V HA 0.397 4.519 4.120 0.004 0.000 0.298 583 V C -1.074 174.663 176.094 -0.595 0.000 1.031 583 V CA -0.510 61.585 62.300 -0.341 0.000 0.871 583 V CB 1.477 33.107 31.823 -0.322 0.000 0.988 583 V HN 0.736 nan 8.190 nan 0.000 0.432 584 W N 3.844 125.101 121.300 -0.072 0.000 2.739 584 W HA 0.690 5.352 4.660 0.003 0.000 0.331 584 W C -0.121 176.403 176.519 0.008 0.000 1.049 584 W CA -0.636 56.687 57.345 -0.038 0.000 1.234 584 W CB 1.768 31.226 29.460 -0.003 0.000 1.404 584 W HN 0.252 nan 8.180 nan 0.000 0.477 585 K N 2.321 122.853 120.400 0.219 0.000 2.375 585 K HA 0.523 4.845 4.320 0.004 0.000 0.249 585 K C -1.122 175.625 176.600 0.245 0.000 0.942 585 K CA -1.165 55.240 56.287 0.198 0.000 0.806 585 K CB 2.636 35.155 32.500 0.031 0.000 1.227 585 K HN 0.572 nan 8.250 nan 0.000 0.430 586 Y N -1.532 118.807 120.300 0.065 0.000 2.587 586 Y HA 0.786 5.338 4.550 0.003 0.000 0.337 586 Y C -0.906 174.998 175.900 0.006 0.000 1.065 586 Y CA -1.426 56.690 58.100 0.026 0.000 1.126 586 Y CB 1.394 39.892 38.460 0.064 0.000 1.279 586 Y HN 0.477 nan 8.280 nan 0.000 0.489 587 A N 2.806 125.556 122.820 -0.117 0.000 2.258 587 A HA 0.396 4.719 4.320 0.004 0.000 0.316 587 A C -0.603 177.022 177.584 0.068 0.000 1.279 587 A CA -0.639 51.319 52.037 -0.131 0.000 0.876 587 A CB -0.140 18.765 19.000 -0.158 0.000 1.170 587 A HN 0.864 nan 8.150 nan 0.000 0.520 588 D N 2.820 123.217 120.400 -0.006 0.000 2.325 588 D HA 0.318 4.960 4.640 0.004 0.000 0.262 588 D C 1.451 177.864 176.300 0.189 0.000 1.263 588 D CA 0.229 54.321 54.000 0.153 0.000 1.020 588 D CB -0.018 40.876 40.800 0.157 0.000 1.117 588 D HN 0.407 nan 8.370 nan 0.000 0.545 589 A N -0.535 122.353 122.820 0.114 0.000 1.884 589 A HA -0.043 4.279 4.320 0.004 0.000 0.219 589 A C 2.134 179.616 177.584 -0.169 0.000 1.197 589 A CA 2.451 54.489 52.037 0.001 0.000 0.637 589 A CB -1.710 17.299 19.000 0.015 0.000 0.827 589 A HN 0.713 nan 8.150 nan 0.000 0.450 590 G N -2.335 106.421 108.800 -0.073 0.000 3.061 590 G HA2 0.189 4.152 3.960 0.004 0.000 0.208 590 G HA3 0.189 4.152 3.960 0.004 0.000 0.208 590 G C 0.311 175.195 174.900 -0.027 0.000 1.175 590 G CA 0.511 45.555 45.100 -0.094 0.000 0.812 590 G HN 0.655 nan 8.290 nan 0.000 0.523 591 H N -1.690 117.441 119.070 0.101 0.000 2.692 591 H HA -0.142 4.416 4.556 0.004 0.000 0.316 591 H C -0.171 175.245 175.328 0.147 0.000 1.176 591 H CA 0.579 56.753 56.048 0.210 0.000 1.142 591 H CB -2.236 27.637 29.762 0.185 0.000 1.475 591 H HN 0.219 nan 8.280 nan 0.000 0.423 592 V N 0.512 120.480 119.914 0.089 0.000 2.459 592 V HA 0.244 4.366 4.120 0.004 0.000 0.295 592 V C 0.910 176.787 176.094 -0.362 0.000 1.029 592 V CA -0.660 61.568 62.300 -0.120 0.000 0.874 592 V CB 2.344 34.072 31.823 -0.159 0.000 0.985 592 V HN 0.522 nan 8.190 nan 0.000 0.438 593 c N 5.328 123.710 118.600 -0.363 0.000 2.514 593 c HA 0.565 5.138 4.570 0.004 0.000 0.392 593 c C 0.150 173.887 174.090 -0.589 0.000 1.294 593 c CA -0.482 55.615 56.329 -0.386 0.000 1.957 593 c CB -1.045 41.377 42.510 -0.147 0.000 2.541 593 c HN 0.844 nan 8.230 nan 0.000 0.569 594 H N 1.134 120.045 119.070 -0.265 0.000 2.865 594 H HA 0.418 4.976 4.556 0.003 0.000 0.372 594 H C -0.406 175.004 175.328 0.136 0.000 1.173 594 H CA -0.722 55.286 56.048 -0.067 0.000 1.147 594 H CB 1.233 30.943 29.762 -0.086 0.000 1.805 594 H HN 0.499 nan 8.280 nan 0.000 0.553 595 L N 1.261 122.684 121.223 0.332 0.000 2.514 595 L HA -0.043 4.300 4.340 0.004 0.000 0.280 595 L C 0.530 177.627 176.870 0.378 0.000 1.223 595 L CA 0.080 55.093 54.840 0.289 0.000 0.864 595 L CB 0.260 42.438 42.059 0.197 0.000 1.118 595 L HN 0.509 nan 8.230 nan 0.000 0.494 596 c N 1.859 120.647 118.600 0.312 0.000 2.563 596 c HA 0.107 4.679 4.570 0.004 0.000 0.358 596 c C 0.818 175.009 174.090 0.169 0.000 1.336 596 c CA -0.777 55.675 56.329 0.205 0.000 2.454 596 c CB -0.020 42.600 42.510 0.184 0.000 2.448 596 c HN 0.603 nan 8.230 nan 0.000 0.670 597 H N 2.111 121.185 119.070 0.007 0.000 3.034 597 H HA 0.046 4.604 4.556 0.003 0.000 0.324 597 H C -1.500 173.841 175.328 0.022 0.000 1.015 597 H CA -1.018 55.033 56.048 0.004 0.000 1.429 597 H CB 0.539 30.282 29.762 -0.032 0.000 1.429 597 H HN 0.362 nan 8.280 nan 0.000 0.585 598 P HA -0.179 nan 4.420 nan 0.000 0.217 598 P C 1.054 178.456 177.300 0.170 0.000 1.148 598 P CA 1.331 64.594 63.100 0.271 0.000 0.834 598 P CB 0.422 32.255 31.700 0.221 0.000 0.783 599 N N -1.592 117.157 118.700 0.081 0.000 2.459 599 N HA -0.056 4.686 4.740 0.004 0.000 0.181 599 N C -0.069 175.322 175.510 -0.197 0.000 1.046 599 N CA 0.377 53.299 53.050 -0.214 0.000 0.904 599 N CB -0.775 37.380 38.487 -0.552 0.000 0.964 599 N HN 0.122 nan 8.380 nan 0.000 0.444 600 c N 1.937 120.443 118.600 -0.158 0.000 2.551 600 c HA 0.089 4.662 4.570 0.004 0.000 0.378 600 c C 1.808 175.698 174.090 -0.333 0.000 1.101 600 c CA -0.388 55.819 56.329 -0.204 0.000 1.360 600 c CB -1.825 40.578 42.510 -0.177 0.000 1.895 600 c HN 0.383 nan 8.230 nan 0.000 0.540 601 T N 0.487 114.818 114.554 -0.372 0.000 2.869 601 T HA -0.199 4.153 4.350 0.004 0.000 0.270 601 T C 0.618 174.743 174.700 -0.958 0.000 1.082 601 T CA 1.802 63.529 62.100 -0.622 0.000 1.123 601 T CB -0.229 68.136 68.868 -0.837 0.000 0.856 601 T HN 0.824 nan 8.240 nan 0.000 0.499 602 Y N 0.363 120.279 120.300 -0.640 0.000 2.719 602 Y HA 0.489 5.041 4.550 0.005 0.000 0.251 602 Y C 1.301 176.358 175.900 -1.406 0.000 1.159 602 Y CA -0.420 57.163 58.100 -0.862 0.000 1.166 602 Y CB 0.504 38.715 38.460 -0.416 0.000 1.219 602 Y HN 0.336 nan 8.280 nan 0.000 0.551 603 G N 0.525 108.308 108.800 -1.696 0.000 2.710 603 G HA2 0.001 3.964 3.960 0.004 0.000 0.668 603 G HA3 0.001 3.964 3.960 0.004 0.000 0.668 603 G C -0.687 174.017 174.900 -0.327 0.000 1.320 603 G CA -0.991 43.560 45.100 -0.916 0.000 0.860 603 G HN 0.862 nan 8.290 nan 0.000 0.538 604 c N -2.764 115.787 118.600 -0.082 0.000 3.311 604 c HA 0.905 5.477 4.570 0.004 0.000 0.325 604 c C 1.312 175.404 174.090 0.002 0.000 1.352 604 c CA 0.804 57.094 56.329 -0.064 0.000 1.308 604 c CB 1.212 43.666 42.510 -0.094 0.000 1.619 604 c HN 2.196 nan 8.230 nan 0.000 0.469 605 T N -1.283 113.249 114.554 -0.038 0.000 2.990 605 T HA 0.556 4.908 4.350 0.004 0.000 0.249 605 T C 0.722 175.421 174.700 -0.001 0.000 1.039 605 T CA 0.839 62.953 62.100 0.022 0.000 1.036 605 T CB 0.166 69.044 68.868 0.015 0.000 0.994 605 T HN 1.795 nan 8.240 nan 0.000 0.489 606 G N 1.425 110.087 108.800 -0.230 0.000 2.921 606 G HA2 0.685 4.647 3.960 0.004 0.000 0.291 606 G HA3 0.685 4.647 3.960 0.004 0.000 0.291 606 G C -3.332 171.034 174.900 -0.889 0.000 1.370 606 G CA -1.771 43.076 45.100 -0.422 0.000 0.847 606 G HN 0.007 nan 8.290 nan 0.000 0.532 607 P HA 0.462 nan 4.420 nan 0.000 0.277 607 P C 0.732 177.923 177.300 -0.183 0.000 1.240 607 P CA 1.072 63.923 63.100 -0.414 0.000 0.798 607 P CB 1.076 32.714 31.700 -0.103 0.000 0.979 608 G N 0.881 109.631 108.800 -0.083 0.000 2.749 608 G HA2 -0.285 3.677 3.960 0.004 0.000 0.242 608 G HA3 -0.285 3.677 3.960 0.004 0.000 0.242 608 G C 0.734 175.681 174.900 0.078 0.000 1.364 608 G CA -0.054 45.077 45.100 0.052 0.000 0.888 608 G HN 0.472 nan 8.290 nan 0.000 0.566 609 L N 0.715 122.019 121.223 0.135 0.000 2.187 609 L HA -0.080 4.262 4.340 0.004 0.000 0.213 609 L C 2.894 179.747 176.870 -0.027 0.000 1.100 609 L CA 1.829 56.667 54.840 -0.003 0.000 0.765 609 L CB -0.446 41.599 42.059 -0.024 0.000 0.904 609 L HN 0.731 nan 8.230 nan 0.000 0.437 610 R N 0.702 121.192 120.500 -0.016 0.000 2.362 610 R HA -0.022 4.320 4.340 0.004 0.000 0.204 610 R C 1.074 177.340 176.300 -0.057 0.000 1.088 610 R CA 0.930 57.012 56.100 -0.031 0.000 1.121 610 R CB -0.472 29.816 30.300 -0.020 0.000 0.954 610 R HN 0.288 nan 8.270 nan 0.000 0.478 611 G N 0.051 108.804 108.800 -0.079 0.000 3.215 611 G HA2 0.053 4.015 3.960 0.004 0.000 0.236 611 G HA3 0.053 4.015 3.960 0.004 0.000 0.236 611 G C 0.045 174.886 174.900 -0.098 0.000 1.029 611 G CA 0.204 45.235 45.100 -0.115 0.000 0.909 611 G HN 0.463 nan 8.290 nan 0.000 0.543 612 c N 0.869 119.418 118.600 -0.084 0.000 3.328 612 c HA 0.616 5.188 4.570 0.004 0.000 0.230 612 c C -2.518 171.531 174.090 -0.068 0.000 1.232 612 c CA -2.537 53.742 56.329 -0.083 0.000 1.431 612 c CB -0.036 42.411 42.510 -0.105 0.000 1.818 612 c HN 0.081 nan 8.230 nan 0.000 0.484 613 P HA 0.583 nan 4.420 nan 0.000 0.272 613 P C 0.349 177.619 177.300 -0.050 0.000 1.223 613 P CA 0.694 63.765 63.100 -0.048 0.000 0.784 613 P CB 0.896 32.571 31.700 -0.040 0.000 0.923 614 T N 0.000 114.528 114.554 -0.043 0.000 3.816 614 T HA 0.000 4.352 4.350 0.004 0.000 0.228 614 T CA 0.000 62.075 62.100 -0.042 0.000 1.349 614 T CB 0.000 68.847 68.868 -0.035 0.000 0.612 614 T HN 0.000 nan 8.240 nan 0.000 0.658