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 2z2c_1_D DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT KLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDV DATA SEQUENCE DTSMKLLSQL GAKVERDGSV HIDARDVNVF CAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGCTIGAR PVDLHISGLE QLGATIKLEE GYVKASVDGR DATA SEQUENCE LKGAHIVMDK VSVGATVTIM CAATLAEGTT IIENAAREPE IVDTANFLIT DATA SEQUENCE LGAKISGQGT DRIVIEGVER LGGGVYRVLP DRIETGTFLV AAAISRGKII DATA SEQUENCE CRNAQPDTLD AVLAKLRDAG ADIEVGEDWI SLDMHGKRPK AVNVRTAPHP DATA SEQUENCE AFPTDMQAQF TLLNLVAEGT GFITETVFEN RFMHVPELSR MGAHAEIESN DATA SEQUENCE TVICHGVEKL SGAQVMATDL RASASLVLAG CIAEGTTVVD RIYHIDRGYE DATA SEQUENCE RIEDKLRALG ANIERVKG 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.345 176.300 0.075 0.000 1.140 1 M CA 0.000 55.324 55.300 0.040 0.000 0.988 1 M CB 0.000 32.631 32.600 0.052 0.000 1.302 2 D N 2.959 123.371 120.400 0.019 0.000 2.836 2 D HA -0.167 4.474 4.640 0.001 0.000 0.171 2 D C -0.254 176.027 176.300 -0.032 0.000 1.448 2 D CA 1.085 55.089 54.000 0.008 0.000 0.682 2 D CB -0.028 40.787 40.800 0.025 0.000 0.980 2 D HN 0.437 nan 8.370 nan 0.000 0.638 3 K N -1.797 118.595 120.400 -0.012 0.000 2.477 3 K HA 0.516 4.837 4.320 0.001 0.000 0.255 3 K C -1.172 175.513 176.600 0.142 0.000 0.952 3 K CA -0.878 55.409 56.287 -0.001 0.000 0.826 3 K CB 1.614 34.143 32.500 0.049 0.000 1.331 3 K HN 0.192 nan 8.250 nan 0.000 0.437 4 F N 1.476 121.434 119.950 0.013 0.000 2.436 4 F HA 0.402 4.930 4.527 0.001 0.000 0.340 4 F C 0.472 176.275 175.800 0.005 0.000 1.113 4 F CA -1.118 56.886 58.000 0.006 0.000 1.022 4 F CB 1.400 40.398 39.000 -0.004 0.000 1.128 4 F HN 0.247 nan 8.300 nan 0.000 0.466 5 R N 3.170 123.781 120.500 0.184 0.000 2.202 5 R HA 0.598 4.939 4.340 0.001 0.000 0.334 5 R C -1.617 174.715 176.300 0.053 0.000 1.036 5 R CA -0.268 55.888 56.100 0.093 0.000 0.878 5 R CB 0.737 31.072 30.300 0.059 0.000 1.067 5 R HN 0.459 nan 8.270 nan 0.000 0.457 6 V N 5.297 125.241 119.914 0.049 0.000 2.409 6 V HA 0.258 4.378 4.120 0.001 0.000 0.291 6 V C -0.365 175.735 176.094 0.010 0.000 1.020 6 V CA -0.942 61.367 62.300 0.017 0.000 0.848 6 V CB 1.646 33.486 31.823 0.029 0.000 0.990 6 V HN 0.678 nan 8.190 nan 0.000 0.430 7 Q N 3.369 123.167 119.800 -0.003 0.000 2.314 7 Q HA 0.652 4.993 4.340 0.001 0.000 0.259 7 Q C 0.223 176.220 176.000 -0.006 0.000 0.951 7 Q CA -0.098 55.703 55.803 -0.003 0.000 0.909 7 Q CB 2.474 31.209 28.738 -0.006 0.000 1.236 7 Q HN 0.921 nan 8.270 nan 0.000 0.444 8 G N 2.538 111.337 108.800 -0.002 0.000 3.042 8 G HA2 0.677 4.638 3.960 0.001 0.000 0.278 8 G HA3 0.677 4.638 3.960 0.001 0.000 0.278 8 G C -2.745 172.154 174.900 -0.002 0.000 1.371 8 G CA -1.394 43.704 45.100 -0.003 0.000 1.009 8 G HN 0.332 nan 8.290 nan 0.000 0.523 9 P HA 0.281 nan 4.420 nan 0.000 0.275 9 P C -0.729 176.568 177.300 -0.005 0.000 1.227 9 P CA 0.213 63.311 63.100 -0.003 0.000 0.781 9 P CB 1.561 33.259 31.700 -0.002 0.000 0.906 10 T N 2.086 116.636 114.554 -0.007 0.000 2.937 10 T HA 0.208 4.558 4.350 0.001 0.000 0.297 10 T C -0.593 174.103 174.700 -0.007 0.000 0.991 10 T CA -0.739 61.356 62.100 -0.008 0.000 0.990 10 T CB 0.600 69.462 68.868 -0.011 0.000 0.991 10 T HN 0.303 nan 8.240 nan 0.000 0.440 11 K N 5.379 125.774 120.400 -0.008 0.000 2.349 11 K HA 0.360 4.681 4.320 0.001 0.000 0.288 11 K C -0.561 176.034 176.600 -0.009 0.000 1.058 11 K CA -0.368 55.914 56.287 -0.009 0.000 0.953 11 K CB 0.326 32.820 32.500 -0.010 0.000 0.997 11 K HN 0.558 nan 8.250 nan 0.000 0.477 12 L N 5.519 126.740 121.223 -0.003 0.000 2.260 12 L HA 0.269 4.610 4.340 0.001 0.000 0.289 12 L C -0.124 176.744 176.870 -0.003 0.000 1.057 12 L CA -0.252 54.591 54.840 0.004 0.000 0.811 12 L CB 1.069 43.144 42.059 0.027 0.000 1.184 12 L HN 0.627 nan 8.230 nan 0.000 0.429 13 Q N 2.617 122.408 119.800 -0.015 0.000 2.345 13 Q HA 0.747 5.088 4.340 0.001 0.000 0.275 13 Q C -0.181 175.795 176.000 -0.040 0.000 1.063 13 Q CA -0.581 55.204 55.803 -0.030 0.000 0.819 13 Q CB 3.197 31.913 28.738 -0.037 0.000 1.356 13 Q HN 0.808 nan 8.270 nan 0.000 0.418 14 G N 1.540 110.309 108.800 -0.053 0.000 2.292 14 G HA2 -0.033 3.928 3.960 0.001 0.000 0.194 14 G HA3 -0.033 3.928 3.960 0.001 0.000 0.194 14 G C -1.625 173.226 174.900 -0.082 0.000 1.329 14 G CA -0.669 44.390 45.100 -0.068 0.000 1.100 14 G HN 0.577 nan 8.290 nan 0.000 0.470 15 E N -1.192 118.952 120.200 -0.094 0.000 2.299 15 E HA 0.735 5.086 4.350 0.001 0.000 0.265 15 E C -1.185 175.330 176.600 -0.143 0.000 0.911 15 E CA -1.100 55.235 56.400 -0.109 0.000 0.789 15 E CB 3.201 32.835 29.700 -0.109 0.000 1.246 15 E HN 0.953 nan 8.360 nan 0.000 0.427 16 V N 0.731 120.542 119.914 -0.172 0.000 2.925 16 V HA 0.418 4.539 4.120 0.001 0.000 0.311 16 V C -1.253 174.741 176.094 -0.167 0.000 1.104 16 V CA -0.382 61.761 62.300 -0.263 0.000 0.954 16 V CB 2.470 33.942 31.823 -0.586 0.000 1.022 16 V HN 0.833 nan 8.190 nan 0.000 0.427 17 T N 7.521 121.988 114.554 -0.144 0.000 2.733 17 T HA 0.493 4.844 4.350 0.001 0.000 0.294 17 T C -0.121 174.549 174.700 -0.050 0.000 0.956 17 T CA -0.227 61.832 62.100 -0.068 0.000 0.987 17 T CB 0.396 69.236 68.868 -0.046 0.000 0.920 17 T HN 0.438 nan 8.240 nan 0.000 0.470 18 I N 3.084 123.652 120.570 -0.002 0.000 2.588 18 I HA 0.159 4.330 4.170 0.001 0.000 0.283 18 I C 1.155 177.295 176.117 0.038 0.000 1.119 18 I CA 0.037 61.363 61.300 0.044 0.000 1.419 18 I CB 0.490 38.536 38.000 0.077 0.000 1.394 18 I HN 0.542 nan 8.210 nan 0.000 0.562 19 S N 3.754 119.487 115.700 0.055 0.000 2.669 19 S HA 0.548 5.019 4.470 0.001 0.000 0.270 19 S C 0.556 175.167 174.600 0.020 0.000 1.225 19 S CA -0.575 57.647 58.200 0.036 0.000 0.991 19 S CB 1.372 64.603 63.200 0.050 0.000 0.987 19 S HN 0.852 nan 8.310 nan 0.000 0.552 20 G N 0.414 109.217 108.800 0.005 0.000 2.491 20 G HA2 0.442 4.403 3.960 0.001 0.000 0.238 20 G HA3 0.442 4.403 3.960 0.001 0.000 0.238 20 G C -0.042 174.851 174.900 -0.011 0.000 1.277 20 G CA -0.353 44.743 45.100 -0.007 0.000 0.851 20 G HN 0.894 nan 8.290 nan 0.000 0.573 21 A N 1.951 124.763 122.820 -0.014 0.000 2.522 21 A HA 0.230 4.551 4.320 0.001 0.000 0.256 21 A C 1.707 179.279 177.584 -0.020 0.000 1.086 21 A CA 0.200 52.224 52.037 -0.022 0.000 0.763 21 A CB 0.316 19.306 19.000 -0.018 0.000 1.024 21 A HN 0.900 nan 8.150 nan 0.000 0.502 22 K N 2.360 122.741 120.400 -0.032 0.000 2.103 22 K HA -0.198 4.123 4.320 0.001 0.000 0.207 22 K C 0.506 177.127 176.600 0.035 0.000 1.048 22 K CA 2.027 58.309 56.287 -0.009 0.000 0.930 22 K CB -0.098 32.380 32.500 -0.037 0.000 0.716 22 K HN 0.705 nan 8.250 nan 0.000 0.444 23 N N 0.177 118.899 118.700 0.036 0.000 2.461 23 N HA 0.019 4.760 4.740 0.001 0.000 0.188 23 N C 1.016 176.562 175.510 0.060 0.000 1.134 23 N CA 0.780 53.889 53.050 0.098 0.000 0.878 23 N CB 0.493 39.038 38.487 0.096 0.000 0.972 23 N HN 0.357 nan 8.380 nan 0.000 0.456 24 A N 0.152 122.973 122.820 0.003 0.000 1.942 24 A HA 0.386 4.707 4.320 0.001 0.000 0.209 24 A C 2.210 179.740 177.584 -0.090 0.000 1.214 24 A CA 0.856 52.865 52.037 -0.048 0.000 0.686 24 A CB -0.514 18.471 19.000 -0.024 0.000 0.871 24 A HN 0.180 nan 8.150 nan 0.000 0.460 25 A N 0.424 123.209 122.820 -0.058 0.000 1.883 25 A HA -0.115 4.206 4.320 0.001 0.000 0.217 25 A C 2.151 179.680 177.584 -0.092 0.000 1.186 25 A CA 1.699 53.684 52.037 -0.087 0.000 0.624 25 A CB -0.739 18.233 19.000 -0.048 0.000 0.822 25 A HN 0.460 nan 8.150 nan 0.000 0.444 26 L N -0.220 121.018 121.223 0.025 0.000 1.976 26 L HA -0.101 4.240 4.340 0.001 0.000 0.209 26 L C -0.289 176.669 176.870 0.147 0.000 1.071 26 L CA 1.653 56.599 54.840 0.176 0.000 0.746 26 L CB -1.477 40.843 42.059 0.435 0.000 0.890 26 L HN 0.283 nan 8.230 nan 0.000 0.432 27 P HA -0.155 nan 4.420 nan 0.000 0.218 27 P C 1.836 178.923 177.300 -0.355 0.000 1.149 27 P CA 1.555 64.230 63.100 -0.709 0.000 0.817 27 P CB 0.033 31.001 31.700 -1.221 0.000 0.785 28 I N -1.037 119.317 120.570 -0.360 0.000 2.315 28 I HA -0.205 3.966 4.170 0.001 0.000 0.248 28 I C 2.164 177.990 176.117 -0.485 0.000 1.117 28 I CA 0.931 61.886 61.300 -0.575 0.000 1.404 28 I CB -0.614 36.926 38.000 -0.767 0.000 1.071 28 I HN -0.139 nan 8.210 nan 0.000 0.419 29 L N -0.279 120.740 121.223 -0.340 0.000 2.083 29 L HA -0.190 4.151 4.340 0.001 0.000 0.209 29 L C 2.158 178.827 176.870 -0.334 0.000 1.083 29 L CA 2.012 56.644 54.840 -0.347 0.000 0.752 29 L CB -1.092 40.730 42.059 -0.395 0.000 0.899 29 L HN 0.133 nan 8.230 nan 0.000 0.433 30 F N -0.939 118.996 119.950 -0.025 0.000 2.270 30 F HA 0.060 4.588 4.527 0.001 0.000 0.295 30 F C 2.398 178.231 175.800 0.055 0.000 1.087 30 F CA 0.739 58.770 58.000 0.051 0.000 1.365 30 F CB -0.983 38.094 39.000 0.127 0.000 1.056 30 F HN 0.011 nan 8.300 nan 0.000 0.506 31 A N 0.256 123.175 122.820 0.166 0.000 2.024 31 A HA -0.084 4.237 4.320 0.001 0.000 0.220 31 A C 2.357 180.114 177.584 0.287 0.000 1.164 31 A CA 1.524 53.675 52.037 0.189 0.000 0.643 31 A CB -1.189 17.927 19.000 0.193 0.000 0.806 31 A HN 0.283 nan 8.150 nan 0.000 0.451 32 A N -0.304 122.677 122.820 0.269 0.000 2.125 32 A HA -0.000 4.321 4.320 0.001 0.000 0.219 32 A C 1.956 179.644 177.584 0.174 0.000 1.156 32 A CA 1.228 53.426 52.037 0.267 0.000 0.671 32 A CB -0.569 18.518 19.000 0.147 0.000 0.794 32 A HN 0.510 nan 8.150 nan 0.000 0.459 33 L N -0.891 120.438 121.223 0.178 0.000 2.265 33 L HA -0.139 4.202 4.340 0.001 0.000 0.215 33 L C 2.134 179.115 176.870 0.184 0.000 1.117 33 L CA 0.630 55.596 54.840 0.209 0.000 0.782 33 L CB -0.391 41.832 42.059 0.274 0.000 0.914 33 L HN 0.405 nan 8.230 nan 0.000 0.441 34 L N -0.338 120.959 121.223 0.123 0.000 2.240 34 L HA 0.050 4.391 4.340 0.001 0.000 0.211 34 L C 1.469 178.337 176.870 -0.003 0.000 1.106 34 L CA -0.222 54.640 54.840 0.036 0.000 0.793 34 L CB -0.431 41.636 42.059 0.013 0.000 0.927 34 L HN 0.127 nan 8.230 nan 0.000 0.446 35 A N 0.266 123.102 122.820 0.027 0.000 2.492 35 A HA 0.026 4.346 4.320 0.001 0.000 0.254 35 A C 0.924 178.520 177.584 0.020 0.000 1.091 35 A CA -0.059 51.979 52.037 0.002 0.000 0.768 35 A CB 0.334 19.349 19.000 0.025 0.000 1.028 35 A HN 0.249 nan 8.150 nan 0.000 0.498 36 E N 0.550 120.748 120.200 -0.005 0.000 2.474 36 E HA 0.153 4.503 4.350 0.001 0.000 0.195 36 E C -0.174 176.437 176.600 0.019 0.000 1.039 36 E CA 0.341 56.746 56.400 0.008 0.000 0.881 36 E CB 0.296 29.985 29.700 -0.017 0.000 0.970 36 E HN 0.710 nan 8.360 nan 0.000 0.486 37 E N -0.343 119.866 120.200 0.015 0.000 2.343 37 E HA 0.384 4.735 4.350 0.001 0.000 0.270 37 E C -2.686 173.937 176.600 0.038 0.000 0.895 37 E CA -2.783 53.631 56.400 0.023 0.000 0.767 37 E CB 1.487 31.194 29.700 0.011 0.000 1.248 37 E HN -0.182 nan 8.360 nan 0.000 0.440 38 P HA 0.028 nan 4.420 nan 0.000 0.266 38 P C -0.907 176.441 177.300 0.079 0.000 1.195 38 P CA 0.014 63.156 63.100 0.071 0.000 0.768 38 P CB 0.485 32.230 31.700 0.076 0.000 0.838 39 V N 2.673 122.647 119.914 0.099 0.000 2.628 39 V HA 0.388 4.509 4.120 0.001 0.000 0.306 39 V C 0.112 176.254 176.094 0.079 0.000 1.045 39 V CA -0.455 61.919 62.300 0.124 0.000 0.905 39 V CB 1.775 33.721 31.823 0.206 0.000 0.997 39 V HN 0.506 nan 8.190 nan 0.000 0.436 40 E N 3.423 123.652 120.200 0.048 0.000 2.185 40 E HA 0.538 4.889 4.350 0.001 0.000 0.261 40 E C -1.673 174.892 176.600 -0.060 0.000 0.879 40 E CA -0.674 55.653 56.400 -0.121 0.000 0.756 40 E CB 1.531 31.129 29.700 -0.170 0.000 1.152 40 E HN 0.604 nan 8.360 nan 0.000 0.416 41 I N 4.179 124.677 120.570 -0.119 0.000 2.321 41 I HA 0.163 4.334 4.170 0.001 0.000 0.291 41 I C 0.172 176.225 176.117 -0.105 0.000 0.998 41 I CA -0.162 61.093 61.300 -0.075 0.000 1.227 41 I CB 1.484 39.397 38.000 -0.145 0.000 1.368 41 I HN 0.460 nan 8.210 nan 0.000 0.466 42 Q N 3.775 123.533 119.800 -0.069 0.000 2.204 42 Q HA 0.396 4.737 4.340 0.001 0.000 0.254 42 Q C 0.339 176.303 176.000 -0.060 0.000 0.981 42 Q CA -0.802 54.957 55.803 -0.073 0.000 0.897 42 Q CB 0.799 29.497 28.738 -0.067 0.000 1.273 42 Q HN 0.546 nan 8.270 nan 0.000 0.464 43 N N -0.558 118.114 118.700 -0.047 0.000 2.754 43 N HA -0.158 4.583 4.740 0.001 0.000 0.248 43 N C -1.692 173.799 175.510 -0.032 0.000 1.093 43 N CA 0.271 53.300 53.050 -0.035 0.000 0.699 43 N CB -0.925 37.537 38.487 -0.041 0.000 1.016 43 N HN 0.310 nan 8.380 nan 0.000 0.552 44 V N 1.417 121.310 119.914 -0.036 0.000 2.461 44 V HA 0.438 4.559 4.120 0.001 0.000 0.275 44 V C -1.537 174.548 176.094 -0.014 0.000 1.047 44 V CA -1.041 61.238 62.300 -0.034 0.000 0.955 44 V CB 1.299 33.091 31.823 -0.052 0.000 0.988 44 V HN 0.191 nan 8.190 nan 0.000 0.471 45 P HA 0.275 nan 4.420 nan 0.000 0.278 45 P C -0.862 176.449 177.300 0.018 0.000 1.238 45 P CA -0.704 62.403 63.100 0.011 0.000 0.794 45 P CB 0.824 32.532 31.700 0.012 0.000 0.955 46 K N 2.787 123.206 120.400 0.032 0.000 2.183 46 K HA 0.369 4.690 4.320 0.001 0.000 0.272 46 K C -0.246 176.385 176.600 0.051 0.000 1.113 46 K CA -0.098 56.212 56.287 0.037 0.000 0.949 46 K CB -0.276 32.247 32.500 0.039 0.000 1.365 46 K HN 0.424 nan 8.250 nan 0.000 0.420 47 L N 1.712 122.962 121.223 0.044 0.000 2.354 47 L HA 0.343 4.684 4.340 0.001 0.000 0.264 47 L C 1.207 178.107 176.870 0.050 0.000 1.008 47 L CA -1.008 53.866 54.840 0.056 0.000 0.819 47 L CB 1.685 43.771 42.059 0.045 0.000 1.339 47 L HN 0.292 nan 8.230 nan 0.000 0.420 48 K N 0.654 121.090 120.400 0.060 0.000 2.032 48 K HA -0.186 4.135 4.320 0.001 0.000 0.209 48 K C 1.196 177.827 176.600 0.051 0.000 1.048 48 K CA 1.876 58.195 56.287 0.054 0.000 0.927 48 K CB 0.100 32.639 32.500 0.064 0.000 0.712 48 K HN 0.614 nan 8.250 nan 0.000 0.441 49 D N -0.397 120.038 120.400 0.059 0.000 2.149 49 D HA -0.143 4.498 4.640 0.001 0.000 0.198 49 D C 1.767 178.105 176.300 0.063 0.000 0.990 49 D CA 1.046 55.088 54.000 0.070 0.000 0.839 49 D CB -0.099 40.748 40.800 0.079 0.000 0.948 49 D HN 0.021 nan 8.370 nan 0.000 0.460 50 V N 1.401 121.339 119.914 0.039 0.000 2.358 50 V HA -0.209 3.912 4.120 0.001 0.000 0.246 50 V C 1.791 177.885 176.094 -0.001 0.000 1.047 50 V CA 1.701 64.005 62.300 0.007 0.000 1.035 50 V CB -0.420 31.401 31.823 -0.002 0.000 0.658 50 V HN 0.111 nan 8.190 nan 0.000 0.452 51 D N 0.106 120.514 120.400 0.014 0.000 2.104 51 D HA -0.156 4.485 4.640 0.001 0.000 0.194 51 D C 2.254 178.561 176.300 0.011 0.000 0.994 51 D CA 1.980 55.986 54.000 0.010 0.000 0.830 51 D CB -0.655 40.156 40.800 0.018 0.000 0.959 51 D HN 0.394 nan 8.370 nan 0.000 0.452 52 T N 0.632 115.203 114.554 0.028 0.000 2.684 52 T HA -0.115 4.236 4.350 0.001 0.000 0.267 52 T C 2.214 176.948 174.700 0.057 0.000 1.036 52 T CA 1.566 63.692 62.100 0.043 0.000 1.148 52 T CB -0.306 68.597 68.868 0.058 0.000 0.863 52 T HN 0.062 nan 8.240 nan 0.000 0.436 53 S N 1.377 117.105 115.700 0.047 0.000 2.370 53 S HA -0.062 4.409 4.470 0.001 0.000 0.226 53 S C 2.130 176.652 174.600 -0.130 0.000 1.033 53 S CA 1.210 59.378 58.200 -0.054 0.000 1.011 53 S CB -0.410 62.672 63.200 -0.197 0.000 0.852 53 S HN 0.437 nan 8.310 nan 0.000 0.457 54 M N 1.258 120.808 119.600 -0.084 0.000 2.117 54 M HA -0.118 4.363 4.480 0.001 0.000 0.262 54 M C 2.059 178.342 176.300 -0.029 0.000 1.065 54 M CA 1.337 56.598 55.300 -0.065 0.000 1.114 54 M CB -0.523 32.053 32.600 -0.039 0.000 1.361 54 M HN 0.222 nan 8.290 nan 0.000 0.408 55 K N 0.458 120.855 120.400 -0.006 0.000 2.148 55 K HA -0.085 4.236 4.320 0.001 0.000 0.204 55 K C 1.993 178.604 176.600 0.018 0.000 1.050 55 K CA 1.051 57.342 56.287 0.006 0.000 0.942 55 K CB -0.412 32.095 32.500 0.011 0.000 0.724 55 K HN 0.376 nan 8.250 nan 0.000 0.446 56 L N 1.006 122.254 121.223 0.043 0.000 2.056 56 L HA -0.177 4.164 4.340 0.001 0.000 0.207 56 L C 2.110 179.017 176.870 0.063 0.000 1.078 56 L CA 0.770 55.663 54.840 0.087 0.000 0.749 56 L CB -0.121 42.058 42.059 0.200 0.000 0.901 56 L HN 0.062 nan 8.230 nan 0.000 0.433 57 L N -0.406 120.821 121.223 0.006 0.000 2.012 57 L HA -0.224 4.116 4.340 0.001 0.000 0.210 57 L C 2.736 179.602 176.870 -0.007 0.000 1.073 57 L CA 1.916 56.748 54.840 -0.012 0.000 0.748 57 L CB -1.291 40.723 42.059 -0.075 0.000 0.891 57 L HN 0.235 nan 8.230 nan 0.000 0.431 58 S N -1.142 114.550 115.700 -0.013 0.000 2.368 58 S HA -0.272 4.199 4.470 0.001 0.000 0.225 58 S C 1.858 176.443 174.600 -0.026 0.000 1.030 58 S CA 1.201 59.391 58.200 -0.016 0.000 0.999 58 S CB -0.323 62.869 63.200 -0.012 0.000 0.844 58 S HN 0.436 nan 8.310 nan 0.000 0.459 59 Q N 1.308 121.098 119.800 -0.016 0.000 2.197 59 Q HA -0.053 4.288 4.340 0.001 0.000 0.207 59 Q C 1.560 177.523 176.000 -0.063 0.000 0.984 59 Q CA 1.401 57.188 55.803 -0.026 0.000 0.869 59 Q CB -0.528 28.211 28.738 0.002 0.000 0.906 59 Q HN 0.574 nan 8.270 nan 0.000 0.426 60 L N -1.696 119.491 121.223 -0.060 0.000 2.591 60 L HA 0.270 4.611 4.340 0.001 0.000 0.228 60 L C 1.199 177.962 176.870 -0.179 0.000 1.133 60 L CA 0.386 55.148 54.840 -0.129 0.000 0.880 60 L CB -0.110 41.913 42.059 -0.060 0.000 1.033 60 L HN 0.493 nan 8.230 nan 0.000 0.450 61 G N -0.015 108.716 108.800 -0.115 0.000 2.159 61 G HA2 -0.223 3.738 3.960 0.001 0.000 0.227 61 G HA3 -0.223 3.738 3.960 0.001 0.000 0.227 61 G C 0.349 175.222 174.900 -0.046 0.000 0.986 61 G CA -0.096 44.944 45.100 -0.101 0.000 0.651 61 G HN 0.472 nan 8.290 nan 0.000 0.523 62 A N -0.272 122.535 122.820 -0.021 0.000 2.371 62 A HA 0.702 5.023 4.320 0.001 0.000 0.257 62 A C 0.379 177.965 177.584 0.004 0.000 1.089 62 A CA 0.272 52.315 52.037 0.010 0.000 0.794 62 A CB 0.427 19.440 19.000 0.022 0.000 1.029 62 A HN 0.358 nan 8.150 nan 0.000 0.488 63 K N 0.669 121.078 120.400 0.016 0.000 2.227 63 K HA 0.551 4.871 4.320 0.001 0.000 0.280 63 K C -0.969 175.646 176.600 0.025 0.000 1.041 63 K CA -0.017 56.279 56.287 0.015 0.000 0.905 63 K CB 1.489 33.999 32.500 0.017 0.000 1.068 63 K HN 0.346 nan 8.250 nan 0.000 0.470 64 V N 2.567 122.492 119.914 0.019 0.000 2.760 64 V HA 0.525 4.645 4.120 0.001 0.000 0.309 64 V C -0.647 175.466 176.094 0.032 0.000 1.077 64 V CA -0.925 61.391 62.300 0.027 0.000 0.910 64 V CB 1.721 33.545 31.823 0.001 0.000 1.008 64 V HN 0.916 nan 8.190 nan 0.000 0.424 65 E N 3.943 124.180 120.200 0.063 0.000 2.445 65 E HA 0.863 5.214 4.350 0.001 0.000 0.279 65 E C -0.953 175.711 176.600 0.107 0.000 1.018 65 E CA -1.294 55.140 56.400 0.057 0.000 0.816 65 E CB 2.874 32.589 29.700 0.024 0.000 1.356 65 E HN 0.730 nan 8.360 nan 0.000 0.462 66 R N -0.153 120.399 120.500 0.086 0.000 3.015 66 R HA 0.444 4.784 4.340 0.001 0.000 0.258 66 R C -0.795 175.556 176.300 0.085 0.000 1.172 66 R CA -0.178 55.983 56.100 0.101 0.000 1.003 66 R CB 0.256 30.583 30.300 0.045 0.000 1.326 66 R HN 0.510 nan 8.270 nan 0.000 0.449 67 D N -0.184 120.250 120.400 0.058 0.000 2.458 67 D HA 0.117 4.757 4.640 0.001 0.000 0.252 67 D C 1.507 177.824 176.300 0.029 0.000 1.221 67 D CA 0.782 54.806 54.000 0.041 0.000 0.985 67 D CB -0.912 39.911 40.800 0.039 0.000 1.050 67 D HN 0.626 nan 8.370 nan 0.000 0.411 68 G N -0.783 108.029 108.800 0.020 0.000 3.042 68 G HA2 0.166 4.126 3.960 0.001 0.000 0.212 68 G HA3 0.166 4.126 3.960 0.001 0.000 0.212 68 G C 0.346 175.238 174.900 -0.013 0.000 1.166 68 G CA -0.073 45.029 45.100 0.004 0.000 0.767 68 G HN 0.280 nan 8.290 nan 0.000 0.546 69 S N -0.753 114.942 115.700 -0.008 0.000 2.608 69 S HA 0.612 5.083 4.470 0.001 0.000 0.291 69 S C -0.532 174.023 174.600 -0.074 0.000 1.146 69 S CA -0.413 57.741 58.200 -0.076 0.000 1.043 69 S CB 1.786 64.927 63.200 -0.100 0.000 1.037 69 S HN -0.055 nan 8.310 nan 0.000 0.520 70 V N 5.120 124.939 119.914 -0.157 0.000 2.409 70 V HA 0.407 4.528 4.120 0.001 0.000 0.291 70 V C -0.587 175.389 176.094 -0.196 0.000 1.020 70 V CA -0.747 61.494 62.300 -0.099 0.000 0.848 70 V CB 1.347 33.123 31.823 -0.079 0.000 0.990 70 V HN 0.842 nan 8.190 nan 0.000 0.430 71 H N 5.456 124.523 119.070 -0.004 0.000 2.489 71 H HA 0.610 5.166 4.556 0.001 0.000 0.322 71 H C -0.817 174.513 175.328 0.004 0.000 1.091 71 H CA -0.314 55.739 56.048 0.008 0.000 1.291 71 H CB 2.269 32.037 29.762 0.010 0.000 1.436 71 H HN 0.453 nan 8.280 nan 0.000 0.480 72 I N 2.814 123.446 120.570 0.104 0.000 2.500 72 I HA 0.019 4.190 4.170 0.001 0.000 0.286 72 I C -0.643 175.523 176.117 0.082 0.000 1.063 72 I CA -0.496 60.844 61.300 0.067 0.000 1.062 72 I CB 2.069 40.089 38.000 0.033 0.000 1.223 72 I HN 0.478 nan 8.210 nan 0.000 0.435 73 D N 5.730 126.172 120.400 0.070 0.000 2.461 73 D HA 0.500 5.141 4.640 0.001 0.000 0.240 73 D C 0.160 176.500 176.300 0.066 0.000 1.094 73 D CA -0.303 53.737 54.000 0.067 0.000 0.868 73 D CB 1.830 42.664 40.800 0.056 0.000 1.062 73 D HN 0.592 nan 8.370 nan 0.000 0.530 74 A N 4.390 127.261 122.820 0.084 0.000 2.460 74 A HA 0.145 4.466 4.320 0.001 0.000 0.258 74 A C 1.862 179.530 177.584 0.139 0.000 1.300 74 A CA -0.249 51.855 52.037 0.111 0.000 0.913 74 A CB -0.046 19.035 19.000 0.135 0.000 1.031 74 A HN 0.520 nan 8.150 nan 0.000 0.512 75 R N 0.558 121.121 120.500 0.104 0.000 2.105 75 R HA -0.101 4.240 4.340 0.001 0.000 0.239 75 R C -0.205 176.177 176.300 0.136 0.000 1.135 75 R CA 1.427 57.590 56.100 0.106 0.000 0.967 75 R CB -0.017 30.326 30.300 0.071 0.000 0.861 75 R HN 0.414 nan 8.270 nan 0.000 0.442 76 D N 0.695 121.156 120.400 0.102 0.000 2.755 76 D HA 0.091 4.732 4.640 0.001 0.000 0.257 76 D C -0.557 175.762 176.300 0.032 0.000 1.291 76 D CA -0.075 53.972 54.000 0.078 0.000 0.836 76 D CB 0.711 41.533 40.800 0.037 0.000 1.059 76 D HN -0.126 nan 8.370 nan 0.000 0.486 77 V N 3.155 123.115 119.914 0.076 0.000 2.509 77 V HA -0.077 4.044 4.120 0.001 0.000 0.297 77 V C 1.258 177.139 176.094 -0.354 0.000 1.014 77 V CA 0.552 62.791 62.300 -0.102 0.000 1.127 77 V CB 0.223 32.053 31.823 0.012 0.000 0.925 77 V HN 0.381 nan 8.190 nan 0.000 0.480 78 N N 3.363 121.761 118.700 -0.504 0.000 2.118 78 N HA 0.106 4.846 4.740 0.001 0.000 0.226 78 N C -0.665 174.211 175.510 -1.056 0.000 1.305 78 N CA -0.066 52.622 53.050 -0.603 0.000 0.890 78 N CB 0.853 39.186 38.487 -0.256 0.000 1.118 78 N HN 0.359 nan 8.380 nan 0.000 0.511 79 V N 1.354 120.597 119.914 -1.117 0.000 2.604 79 V HA 0.470 4.590 4.120 0.001 0.000 0.305 79 V C -0.769 174.749 176.094 -0.960 0.000 1.043 79 V CA -0.638 61.095 62.300 -0.946 0.000 0.888 79 V CB 1.593 33.171 31.823 -0.408 0.000 0.995 79 V HN 0.027 nan 8.190 nan 0.000 0.429 80 F N 1.814 121.692 119.950 -0.120 0.000 2.683 80 F HA 0.379 4.907 4.527 0.001 0.000 0.306 80 F C 0.518 176.296 175.800 -0.037 0.000 1.102 80 F CA -0.352 57.594 58.000 -0.089 0.000 1.244 80 F CB 0.606 39.550 39.000 -0.094 0.000 1.029 80 F HN 0.428 nan 8.300 nan 0.000 0.545 81 C N 2.196 121.512 119.300 0.027 0.000 2.322 81 C HA 0.840 5.301 4.460 0.001 0.000 0.324 81 C C 0.338 175.341 174.990 0.022 0.000 1.249 81 C CA -0.695 58.323 59.018 -0.000 0.000 1.453 81 C CB -0.692 26.985 27.740 -0.106 0.000 2.145 81 C HN 0.376 nan 8.230 nan 0.000 0.466 82 A N 9.360 132.234 122.820 0.090 0.000 2.343 82 A HA 0.595 4.916 4.320 0.001 0.000 0.305 82 A C -2.139 175.562 177.584 0.194 0.000 1.308 82 A CA -0.940 51.172 52.037 0.125 0.000 0.949 82 A CB -0.096 18.984 19.000 0.133 0.000 1.148 82 A HN 0.814 nan 8.150 nan 0.000 0.545 83 P HA -0.102 nan 4.420 nan 0.000 0.268 83 P C 0.347 177.812 177.300 0.275 0.000 1.208 83 P CA 0.115 63.363 63.100 0.247 0.000 0.777 83 P CB 0.497 32.280 31.700 0.139 0.000 0.875 84 Y N 2.900 123.338 120.300 0.230 0.000 2.165 84 Y HA -0.276 4.274 4.550 0.001 0.000 0.286 84 Y C 1.951 177.875 175.900 0.040 0.000 1.155 84 Y CA 2.537 60.679 58.100 0.070 0.000 1.164 84 Y CB -0.718 37.745 38.460 0.004 0.000 0.978 84 Y HN 0.354 nan 8.280 nan 0.000 0.513 85 D N -0.238 120.163 120.400 0.003 0.000 2.265 85 D HA -0.213 4.428 4.640 0.001 0.000 0.208 85 D C 1.993 178.216 176.300 -0.128 0.000 0.977 85 D CA 1.420 55.361 54.000 -0.097 0.000 0.871 85 D CB -0.585 40.228 40.800 0.022 0.000 0.925 85 D HN 0.455 nan 8.370 nan 0.000 0.485 86 L N 0.203 121.382 121.223 -0.073 0.000 2.189 86 L HA -0.049 4.292 4.340 0.001 0.000 0.199 86 L C 2.702 179.525 176.870 -0.078 0.000 1.074 86 L CA 0.244 55.059 54.840 -0.042 0.000 0.783 86 L CB -0.187 41.889 42.059 0.028 0.000 0.955 86 L HN -0.157 nan 8.230 nan 0.000 0.460 87 V N 1.114 120.978 119.914 -0.085 0.000 2.469 87 V HA -0.312 3.809 4.120 0.001 0.000 0.251 87 V C 2.480 178.457 176.094 -0.194 0.000 1.064 87 V CA 2.179 64.417 62.300 -0.104 0.000 1.066 87 V CB -1.058 30.728 31.823 -0.063 0.000 0.667 87 V HN 0.587 nan 8.190 nan 0.000 0.461 88 K N 1.595 121.768 120.400 -0.377 0.000 2.209 88 K HA -0.185 4.135 4.320 0.001 0.000 0.204 88 K C 1.836 178.313 176.600 -0.206 0.000 1.048 88 K CA 1.923 57.957 56.287 -0.420 0.000 0.940 88 K CB -0.653 31.351 32.500 -0.826 0.000 0.729 88 K HN 0.619 nan 8.250 nan 0.000 0.451 89 T N -2.306 112.157 114.554 -0.152 0.000 3.051 89 T HA 0.201 4.552 4.350 0.001 0.000 0.255 89 T C 0.887 175.569 174.700 -0.030 0.000 1.085 89 T CA -0.175 61.883 62.100 -0.070 0.000 1.109 89 T CB 0.146 68.983 68.868 -0.052 0.000 0.921 89 T HN 0.086 nan 8.240 nan 0.000 0.488 90 M N 2.529 122.105 119.600 -0.039 0.000 2.060 90 M HA 0.376 4.857 4.480 0.001 0.000 0.275 90 M C 0.851 177.110 176.300 -0.069 0.000 0.919 90 M CA -0.553 54.737 55.300 -0.016 0.000 0.970 90 M CB 2.165 34.794 32.600 0.049 0.000 1.670 90 M HN 0.244 nan 8.290 nan 0.000 0.440 91 R N 1.408 121.845 120.500 -0.105 0.000 2.237 91 R HA 0.038 4.378 4.340 0.001 0.000 0.219 91 R C 1.261 177.392 176.300 -0.281 0.000 1.080 91 R CA 1.447 57.445 56.100 -0.171 0.000 0.995 91 R CB -0.248 29.959 30.300 -0.155 0.000 0.875 91 R HN 0.615 nan 8.270 nan 0.000 0.462 92 A N 1.865 124.527 122.820 -0.263 0.000 2.070 92 A HA -0.151 4.169 4.320 0.001 0.000 0.220 92 A C 2.228 179.546 177.584 -0.445 0.000 1.159 92 A CA 1.391 53.171 52.037 -0.427 0.000 0.656 92 A CB -0.523 18.394 19.000 -0.138 0.000 0.800 92 A HN 0.624 nan 8.150 nan 0.000 0.453 93 S N -0.003 115.506 115.700 -0.318 0.000 2.465 93 S HA -0.185 4.286 4.470 0.001 0.000 0.241 93 S C 1.621 175.918 174.600 -0.506 0.000 1.000 93 S CA 1.166 59.063 58.200 -0.505 0.000 0.964 93 S CB -0.688 62.449 63.200 -0.105 0.000 0.763 93 S HN 0.476 nan 8.310 nan 0.000 0.512 94 I N 1.128 121.439 120.570 -0.432 0.000 2.502 94 I HA -0.098 4.072 4.170 0.001 0.000 0.258 94 I C 1.661 177.607 176.117 -0.285 0.000 1.172 94 I CA 0.636 61.710 61.300 -0.376 0.000 1.430 94 I CB -0.740 36.934 38.000 -0.543 0.000 1.086 94 I HN 0.384 nan 8.210 nan 0.000 0.440 95 W N 0.548 121.554 121.300 -0.489 0.000 2.611 95 W HA 0.033 4.694 4.660 0.001 0.000 0.251 95 W C 2.436 178.760 176.519 -0.326 0.000 1.265 95 W CA 0.871 57.988 57.345 -0.380 0.000 1.295 95 W CB -1.185 28.055 29.460 -0.366 0.000 1.129 95 W HN 0.311 nan 8.180 nan 0.000 0.630 96 A N -0.141 122.526 122.820 -0.255 0.000 1.969 96 A HA -0.143 4.178 4.320 0.001 0.000 0.218 96 A C 1.978 179.655 177.584 0.155 0.000 1.169 96 A CA 1.226 53.316 52.037 0.089 0.000 0.635 96 A CB -0.707 18.365 19.000 0.121 0.000 0.810 96 A HN 0.154 nan 8.150 nan 0.000 0.445 97 L N 0.133 121.414 121.223 0.097 0.000 1.955 97 L HA -0.054 4.287 4.340 0.001 0.000 0.213 97 L C 2.509 179.466 176.870 0.144 0.000 1.072 97 L CA 2.497 57.407 54.840 0.117 0.000 0.755 97 L CB -1.251 40.853 42.059 0.075 0.000 0.888 97 L HN 0.313 nan 8.230 nan 0.000 0.432 98 G N -0.726 108.168 108.800 0.157 0.000 2.491 98 G HA2 -0.246 3.715 3.960 0.001 0.000 0.218 98 G HA3 -0.246 3.715 3.960 0.001 0.000 0.218 98 G C -0.589 174.393 174.900 0.137 0.000 1.180 98 G CA 1.050 46.237 45.100 0.146 0.000 0.774 98 G HN 0.386 nan 8.290 nan 0.000 0.562 99 P HA -0.068 nan 4.420 nan 0.000 0.216 99 P C 2.040 179.461 177.300 0.201 0.000 1.153 99 P CA 0.834 64.033 63.100 0.165 0.000 0.858 99 P CB -0.120 31.708 31.700 0.212 0.000 0.789 100 L N -1.609 119.771 121.223 0.262 0.000 2.156 100 L HA -0.101 4.240 4.340 0.001 0.000 0.208 100 L C 2.272 179.302 176.870 0.267 0.000 1.095 100 L CA 1.021 56.088 54.840 0.378 0.000 0.770 100 L CB -0.791 41.485 42.059 0.362 0.000 0.914 100 L HN -0.122 nan 8.230 nan 0.000 0.439 101 V N 0.032 120.042 119.914 0.160 0.000 2.358 101 V HA -0.221 3.900 4.120 0.001 0.000 0.246 101 V C 2.693 178.820 176.094 0.054 0.000 1.047 101 V CA 1.745 64.099 62.300 0.091 0.000 1.035 101 V CB -0.858 31.009 31.823 0.073 0.000 0.658 101 V HN 0.455 nan 8.190 nan 0.000 0.452 102 A N -0.239 122.610 122.820 0.049 0.000 2.014 102 A HA -0.164 4.156 4.320 0.001 0.000 0.218 102 A C 2.388 179.937 177.584 -0.059 0.000 1.163 102 A CA 1.827 53.865 52.037 0.002 0.000 0.652 102 A CB -0.382 18.625 19.000 0.011 0.000 0.808 102 A HN 0.500 nan 8.150 nan 0.000 0.449 103 R N -2.736 117.705 120.500 -0.098 0.000 2.146 103 R HA 0.192 4.533 4.340 0.001 0.000 0.206 103 R C 0.534 176.542 176.300 -0.487 0.000 1.049 103 R CA 0.783 56.675 56.100 -0.346 0.000 1.029 103 R CB 0.064 30.053 30.300 -0.518 0.000 0.949 103 R HN 0.407 nan 8.270 nan 0.000 0.471 104 F N -0.998 118.938 119.950 -0.023 0.000 2.706 104 F HA 0.403 4.931 4.527 0.001 0.000 0.313 104 F C 1.257 176.931 175.800 -0.210 0.000 1.096 104 F CA 0.342 58.269 58.000 -0.122 0.000 1.219 104 F CB 1.527 40.424 39.000 -0.171 0.000 1.051 104 F HN 0.248 nan 8.300 nan 0.000 0.568 105 G N 1.046 109.849 108.800 0.006 0.000 2.184 105 G HA2 -0.273 3.687 3.960 0.001 0.000 0.264 105 G HA3 -0.273 3.687 3.960 0.001 0.000 0.264 105 G C 0.141 175.012 174.900 -0.049 0.000 0.975 105 G CA 0.574 45.656 45.100 -0.030 0.000 0.642 105 G HN 0.522 nan 8.290 nan 0.000 0.536 106 Q N -1.620 118.141 119.800 -0.065 0.000 2.472 106 Q HA 0.637 4.978 4.340 0.001 0.000 0.281 106 Q C -0.570 175.439 176.000 0.015 0.000 0.997 106 Q CA -0.583 55.179 55.803 -0.068 0.000 0.828 106 Q CB 1.719 30.358 28.738 -0.165 0.000 1.443 106 Q HN 1.478 nan 8.270 nan 0.000 0.390 107 G N 1.181 110.023 108.800 0.069 0.000 2.755 107 G HA2 0.527 4.488 3.960 0.001 0.000 0.297 107 G HA3 0.527 4.488 3.960 0.001 0.000 0.297 107 G C -1.975 172.990 174.900 0.108 0.000 1.441 107 G CA -0.518 44.661 45.100 0.132 0.000 0.964 107 G HN 0.409 nan 8.290 nan 0.000 0.540 108 Q N -0.275 119.595 119.800 0.117 0.000 2.285 108 Q HA 0.701 5.042 4.340 0.001 0.000 0.269 108 Q C -0.781 175.309 176.000 0.150 0.000 1.030 108 Q CA -0.689 55.178 55.803 0.107 0.000 0.788 108 Q CB 3.210 31.963 28.738 0.026 0.000 1.266 108 Q HN 0.513 nan 8.270 nan 0.000 0.438 109 V N 0.960 121.001 119.914 0.211 0.000 2.777 109 V HA 0.432 4.553 4.120 0.001 0.000 0.306 109 V C -0.468 175.774 176.094 0.247 0.000 1.112 109 V CA -0.923 61.503 62.300 0.210 0.000 0.917 109 V CB 2.311 34.180 31.823 0.076 0.000 1.018 109 V HN 0.789 nan 8.190 nan 0.000 0.426 110 S N 4.277 120.129 115.700 0.253 0.000 2.544 110 S HA 0.190 4.661 4.470 0.001 0.000 0.290 110 S C -0.007 174.563 174.600 -0.050 0.000 1.276 110 S CA -0.238 57.924 58.200 -0.063 0.000 1.075 110 S CB -0.011 63.168 63.200 -0.034 0.000 0.849 110 S HN 0.634 nan 8.310 nan 0.000 0.494 111 L N 7.233 128.404 121.223 -0.087 0.000 2.534 111 L HA 0.223 4.564 4.340 0.001 0.000 0.271 111 L C -1.939 174.898 176.870 -0.055 0.000 1.178 111 L CA -1.513 53.289 54.840 -0.064 0.000 0.907 111 L CB 0.441 42.466 42.059 -0.057 0.000 1.164 111 L HN 0.545 nan 8.230 nan 0.000 0.482 112 P HA 0.053 nan 4.420 nan 0.000 0.266 112 P C 0.105 177.385 177.300 -0.034 0.000 1.195 112 P CA -0.164 62.896 63.100 -0.067 0.000 0.768 112 P CB 0.578 32.211 31.700 -0.111 0.000 0.838 113 G N 1.133 109.927 108.800 -0.009 0.000 2.661 113 G HA2 0.370 4.331 3.960 0.001 0.000 0.272 113 G HA3 0.370 4.331 3.960 0.001 0.000 0.272 113 G C 0.268 175.161 174.900 -0.013 0.000 1.296 113 G CA 0.004 45.106 45.100 0.003 0.000 0.998 113 G HN 0.912 nan 8.290 nan 0.000 0.553 114 G N -2.508 106.289 108.800 -0.004 0.000 2.898 114 G HA2 0.136 4.097 3.960 0.001 0.000 0.267 114 G HA3 0.136 4.097 3.960 0.001 0.000 0.267 114 G C -0.201 174.695 174.900 -0.005 0.000 1.061 114 G CA 0.059 45.160 45.100 0.003 0.000 1.230 114 G HN 1.482 nan 8.290 nan 0.000 0.569 115 C N 1.833 121.127 119.300 -0.011 0.000 2.634 115 C HA 0.836 5.297 4.460 0.001 0.000 0.313 115 C C 1.991 176.960 174.990 -0.035 0.000 1.198 115 C CA 0.564 59.563 59.018 -0.030 0.000 1.605 115 C CB 1.462 29.166 27.740 -0.060 0.000 2.196 115 C HN 0.983 nan 8.230 nan 0.000 0.486 116 T N 2.030 116.555 114.554 -0.049 0.000 2.857 116 T HA -0.107 4.244 4.350 0.001 0.000 0.266 116 T C 1.504 176.160 174.700 -0.073 0.000 1.048 116 T CA 2.061 64.132 62.100 -0.050 0.000 1.139 116 T CB -0.363 68.478 68.868 -0.044 0.000 0.874 116 T HN 0.771 nan 8.240 nan 0.000 0.455 117 I N -1.594 118.893 120.570 -0.139 0.000 3.111 117 I HA 0.424 4.595 4.170 0.001 0.000 0.272 117 I C 0.924 177.000 176.117 -0.068 0.000 1.268 117 I CA 0.188 61.384 61.300 -0.174 0.000 1.467 117 I CB -0.266 37.517 38.000 -0.360 0.000 1.087 117 I HN 0.307 nan 8.210 nan 0.000 0.467 118 G N -0.233 108.559 108.800 -0.013 0.000 2.322 118 G HA2 0.462 4.423 3.960 0.001 0.000 0.295 118 G HA3 0.462 4.423 3.960 0.001 0.000 0.295 118 G C -0.101 174.845 174.900 0.076 0.000 1.369 118 G CA -0.218 44.948 45.100 0.109 0.000 0.821 118 G HN 0.044 nan 8.290 nan 0.000 0.536 119 A N -0.583 122.286 122.820 0.083 0.000 1.975 119 A HA 0.414 4.735 4.320 0.001 0.000 0.215 119 A C 1.402 179.015 177.584 0.048 0.000 1.170 119 A CA 1.429 53.494 52.037 0.046 0.000 0.656 119 A CB -0.429 18.591 19.000 0.034 0.000 0.821 119 A HN 1.338 nan 8.150 nan 0.000 0.449 120 R N -0.908 119.646 120.500 0.090 0.000 3.146 120 R HA -0.113 4.228 4.340 0.001 0.000 0.250 120 R C -2.414 173.910 176.300 0.041 0.000 0.912 120 R CA 0.413 56.573 56.100 0.100 0.000 0.633 120 R CB -2.070 28.298 30.300 0.113 0.000 1.180 120 R HN 0.502 nan 8.270 nan 0.000 0.464 121 P HA 0.086 nan 4.420 nan 0.000 0.274 121 P C 0.606 177.930 177.300 0.040 0.000 1.256 121 P CA -0.176 62.936 63.100 0.021 0.000 0.795 121 P CB 0.821 32.535 31.700 0.022 0.000 1.038 122 V N -3.195 116.741 119.914 0.036 0.000 3.070 122 V HA 0.092 4.213 4.120 0.001 0.000 0.345 122 V C 1.428 177.606 176.094 0.140 0.000 1.403 122 V CA 0.199 62.563 62.300 0.107 0.000 1.155 122 V CB -0.572 31.179 31.823 -0.120 0.000 1.140 122 V HN 0.545 nan 8.190 nan 0.000 0.505 123 D N 1.653 122.102 120.400 0.081 0.000 2.172 123 D HA -0.289 4.352 4.640 0.001 0.000 0.196 123 D C 1.688 178.031 176.300 0.072 0.000 0.999 123 D CA 1.953 55.990 54.000 0.061 0.000 0.856 123 D CB -0.060 40.761 40.800 0.035 0.000 0.934 123 D HN 0.559 nan 8.370 nan 0.000 0.453 124 L N -0.098 121.170 121.223 0.075 0.000 2.109 124 L HA -0.105 4.236 4.340 0.001 0.000 0.207 124 L C 2.889 179.775 176.870 0.026 0.000 1.086 124 L CA 0.927 55.781 54.840 0.023 0.000 0.760 124 L CB -0.677 41.363 42.059 -0.031 0.000 0.910 124 L HN 0.109 nan 8.230 nan 0.000 0.437 125 H N 0.789 119.873 119.070 0.023 0.000 2.270 125 H HA -0.097 4.460 4.556 0.001 0.000 0.299 125 H C 1.961 177.309 175.328 0.034 0.000 1.077 125 H CA 1.987 58.057 56.048 0.037 0.000 1.294 125 H CB -0.049 29.727 29.762 0.023 0.000 1.371 125 H HN 0.411 nan 8.280 nan 0.000 0.491 126 I N -0.419 120.259 120.570 0.179 0.000 3.806 126 I HA 0.143 4.313 4.170 0.001 0.000 0.321 126 I C 1.855 178.013 176.117 0.069 0.000 1.315 126 I CA -0.069 61.292 61.300 0.102 0.000 1.148 126 I CB 0.370 38.412 38.000 0.071 0.000 1.028 126 I HN -0.028 nan 8.210 nan 0.000 0.415 127 S N 1.971 117.710 115.700 0.065 0.000 2.349 127 S HA 0.237 4.708 4.470 0.001 0.000 0.167 127 S C 2.173 176.802 174.600 0.048 0.000 1.027 127 S CA 1.041 59.267 58.200 0.044 0.000 1.284 127 S CB -0.902 62.317 63.200 0.032 0.000 0.774 127 S HN 0.518 nan 8.310 nan 0.000 0.448 128 G N 2.317 111.141 108.800 0.040 0.000 3.013 128 G HA2 -0.301 3.660 3.960 0.001 0.000 0.294 128 G HA3 -0.301 3.660 3.960 0.001 0.000 0.294 128 G C 0.627 175.555 174.900 0.047 0.000 1.131 128 G CA 1.756 46.879 45.100 0.038 0.000 0.916 128 G HN 0.635 nan 8.290 nan 0.000 0.700 129 L N 0.605 121.867 121.223 0.064 0.000 2.437 129 L HA 0.407 4.747 4.340 0.001 0.000 0.243 129 L C 1.157 178.057 176.870 0.049 0.000 1.346 129 L CA 0.304 55.181 54.840 0.062 0.000 1.233 129 L CB 0.114 42.221 42.059 0.080 0.000 1.436 129 L HN 0.504 nan 8.230 nan 0.000 0.416 130 E N -0.907 119.316 120.200 0.039 0.000 1.872 130 E HA -0.078 4.273 4.350 0.001 0.000 0.230 130 E C 1.307 177.923 176.600 0.027 0.000 1.070 130 E CA 0.057 56.476 56.400 0.032 0.000 1.469 130 E CB 0.134 29.854 29.700 0.032 0.000 4.011 130 E HN 0.532 nan 8.360 nan 0.000 0.938 131 Q N 0.636 120.453 119.800 0.028 0.000 2.230 131 Q HA 0.077 4.418 4.340 0.001 0.000 0.202 131 Q C 0.820 176.836 176.000 0.027 0.000 0.963 131 Q CA 0.614 56.433 55.803 0.027 0.000 0.866 131 Q CB 0.346 29.102 28.738 0.030 0.000 0.931 131 Q HN 0.195 nan 8.270 nan 0.000 0.452 132 L N -1.060 120.179 121.223 0.027 0.000 2.464 132 L HA 0.100 4.440 4.340 0.001 0.000 0.224 132 L C 1.409 178.291 176.870 0.021 0.000 1.219 132 L CA 0.089 54.943 54.840 0.023 0.000 0.831 132 L CB 0.161 42.235 42.059 0.025 0.000 1.284 132 L HN 0.073 nan 8.230 nan 0.000 0.522 133 G N -0.430 108.380 108.800 0.017 0.000 3.383 133 G HA2 0.365 4.326 3.960 0.001 0.000 0.251 133 G HA3 0.365 4.326 3.960 0.001 0.000 0.251 133 G C 0.244 175.153 174.900 0.016 0.000 1.203 133 G CA 0.158 45.266 45.100 0.014 0.000 0.852 133 G HN 0.622 nan 8.290 nan 0.000 0.531 134 A N 0.497 123.330 122.820 0.022 0.000 2.409 134 A HA 0.599 4.920 4.320 0.001 0.000 0.262 134 A C 0.521 178.120 177.584 0.024 0.000 1.113 134 A CA -0.007 52.045 52.037 0.024 0.000 0.790 134 A CB 0.391 19.412 19.000 0.035 0.000 1.046 134 A HN 0.144 nan 8.150 nan 0.000 0.496 135 T N 3.028 117.594 114.554 0.021 0.000 2.845 135 T HA 0.559 4.909 4.350 0.001 0.000 0.288 135 T C -0.152 174.564 174.700 0.026 0.000 0.980 135 T CA 0.260 62.372 62.100 0.020 0.000 1.071 135 T CB 0.261 69.138 68.868 0.015 0.000 0.941 135 T HN 0.430 nan 8.240 nan 0.000 0.487 136 I N 3.467 124.054 120.570 0.028 0.000 2.533 136 I HA 0.445 4.616 4.170 0.001 0.000 0.290 136 I C -0.073 176.063 176.117 0.032 0.000 1.056 136 I CA -0.998 60.322 61.300 0.034 0.000 1.057 136 I CB 1.988 40.012 38.000 0.040 0.000 1.240 136 I HN 0.585 nan 8.210 nan 0.000 0.423 137 K N 5.568 125.989 120.400 0.036 0.000 2.352 137 K HA 0.799 5.120 4.320 0.001 0.000 0.240 137 K C -1.715 174.912 176.600 0.044 0.000 1.017 137 K CA -0.939 55.369 56.287 0.035 0.000 0.851 137 K CB 2.796 35.315 32.500 0.032 0.000 1.261 137 K HN 0.385 nan 8.250 nan 0.000 0.451 138 L N 0.951 122.197 121.223 0.039 0.000 2.349 138 L HA 0.456 4.797 4.340 0.001 0.000 0.278 138 L C -1.271 175.627 176.870 0.045 0.000 0.996 138 L CA 0.031 54.896 54.840 0.043 0.000 0.825 138 L CB 1.562 43.634 42.059 0.021 0.000 1.243 138 L HN 0.824 nan 8.230 nan 0.000 0.412 139 E N 4.107 124.351 120.200 0.074 0.000 2.278 139 E HA 0.236 4.587 4.350 0.001 0.000 0.272 139 E C -0.788 175.876 176.600 0.107 0.000 0.890 139 E CA -0.274 56.169 56.400 0.072 0.000 0.770 139 E CB 1.543 31.285 29.700 0.070 0.000 1.212 139 E HN 0.728 nan 8.360 nan 0.000 0.415 140 E N 1.648 121.881 120.200 0.055 0.000 2.440 140 E HA -0.302 4.048 4.350 0.001 0.000 0.246 140 E C 0.522 177.090 176.600 -0.054 0.000 1.165 140 E CA 0.711 57.135 56.400 0.040 0.000 0.726 140 E CB -1.303 28.472 29.700 0.125 0.000 1.271 140 E HN 1.036 nan 8.360 nan 0.000 0.397 141 G N -0.976 107.760 108.800 -0.107 0.000 2.159 141 G HA2 -0.346 3.615 3.960 0.001 0.000 0.256 141 G HA3 -0.346 3.615 3.960 0.001 0.000 0.256 141 G C -0.322 174.361 174.900 -0.362 0.000 0.977 141 G CA 0.500 45.450 45.100 -0.249 0.000 0.652 141 G HN 0.297 nan 8.290 nan 0.000 0.531 142 Y N -0.012 120.293 120.300 0.008 0.000 2.331 142 Y HA 0.511 5.062 4.550 0.002 0.000 0.338 142 Y C 0.774 176.683 175.900 0.016 0.000 0.976 142 Y CA -0.983 57.130 58.100 0.022 0.000 1.137 142 Y CB 1.921 40.398 38.460 0.027 0.000 1.172 142 Y HN 0.065 nan 8.280 nan 0.000 0.478 143 V N 5.350 125.348 119.914 0.141 0.000 2.409 143 V HA 0.007 4.128 4.120 0.001 0.000 0.270 143 V C -0.032 176.133 176.094 0.118 0.000 1.019 143 V CA -0.215 62.143 62.300 0.098 0.000 1.066 143 V CB -0.575 31.280 31.823 0.054 0.000 1.021 143 V HN 0.600 nan 8.190 nan 0.000 0.476 144 K N 4.308 124.767 120.400 0.098 0.000 2.263 144 K HA 0.720 5.040 4.320 0.001 0.000 0.272 144 K C -0.138 176.498 176.600 0.058 0.000 1.033 144 K CA -0.132 56.203 56.287 0.079 0.000 0.884 144 K CB 1.676 34.217 32.500 0.069 0.000 1.107 144 K HN 0.763 nan 8.250 nan 0.000 0.460 145 A N 2.066 124.920 122.820 0.057 0.000 2.331 145 A HA 0.672 4.993 4.320 0.001 0.000 0.320 145 A C -0.736 176.868 177.584 0.033 0.000 1.138 145 A CA -0.673 51.393 52.037 0.048 0.000 0.790 145 A CB 1.019 20.056 19.000 0.061 0.000 1.206 145 A HN 0.649 nan 8.150 nan 0.000 0.470 146 S N 0.349 116.062 115.700 0.022 0.000 2.546 146 S HA 0.715 5.186 4.470 0.001 0.000 0.274 146 S C -1.228 173.376 174.600 0.006 0.000 1.121 146 S CA -0.755 57.449 58.200 0.006 0.000 0.887 146 S CB 1.545 64.742 63.200 -0.004 0.000 1.094 146 S HN 1.626 nan 8.310 nan 0.000 0.474 147 V N 1.343 121.256 119.914 -0.002 0.000 2.443 147 V HA 0.491 4.611 4.120 0.001 0.000 0.293 147 V C -1.208 174.879 176.094 -0.011 0.000 1.021 147 V CA -0.489 61.809 62.300 -0.003 0.000 0.848 147 V CB 1.660 33.484 31.823 0.002 0.000 0.998 147 V HN 1.046 nan 8.190 nan 0.000 0.424 148 D N 4.361 124.755 120.400 -0.009 0.000 2.722 148 D HA 0.475 5.115 4.640 0.001 0.000 0.239 148 D C 0.723 177.017 176.300 -0.010 0.000 1.249 148 D CA 1.051 55.044 54.000 -0.012 0.000 0.830 148 D CB 0.759 41.553 40.800 -0.010 0.000 1.025 148 D HN 0.734 nan 8.370 nan 0.000 0.486 149 G N -0.412 108.382 108.800 -0.010 0.000 2.524 149 G HA2 0.311 4.272 3.960 0.001 0.000 0.172 149 G HA3 0.311 4.272 3.960 0.001 0.000 0.172 149 G C -0.283 174.608 174.900 -0.016 0.000 1.636 149 G CA -0.439 44.654 45.100 -0.011 0.000 0.732 149 G HN 0.205 nan 8.290 nan 0.000 0.753 150 R N -0.871 119.620 120.500 -0.015 0.000 3.197 150 R HA 0.242 4.583 4.340 0.001 0.000 0.261 150 R C -1.478 174.814 176.300 -0.014 0.000 1.015 150 R CA -0.705 55.383 56.100 -0.020 0.000 0.949 150 R CB 0.274 30.559 30.300 -0.026 0.000 1.256 150 R HN 0.288 nan 8.270 nan 0.000 0.514 151 L N 2.666 123.881 121.223 -0.013 0.000 2.483 151 L HA 0.190 4.531 4.340 0.001 0.000 0.275 151 L C 0.034 176.901 176.870 -0.005 0.000 1.220 151 L CA 0.246 55.083 54.840 -0.005 0.000 0.833 151 L CB 0.424 42.483 42.059 -0.000 0.000 1.102 151 L HN 0.542 nan 8.230 nan 0.000 0.490 152 K N 1.583 121.983 120.400 0.000 0.000 2.413 152 K HA 0.414 4.735 4.320 0.001 0.000 0.257 152 K C -0.177 176.425 176.600 0.003 0.000 0.946 152 K CA -0.410 55.877 56.287 0.000 0.000 0.823 152 K CB 1.702 34.203 32.500 0.003 0.000 1.109 152 K HN 0.560 nan 8.250 nan 0.000 0.427 153 G N 2.476 111.275 108.800 -0.002 0.000 2.287 153 G HA2 0.378 4.339 3.960 0.001 0.000 0.235 153 G HA3 0.378 4.339 3.960 0.001 0.000 0.235 153 G C -0.656 174.250 174.900 0.010 0.000 1.258 153 G CA 0.228 45.326 45.100 -0.002 0.000 0.884 153 G HN 0.783 nan 8.290 nan 0.000 0.518 154 A N 1.969 124.798 122.820 0.015 0.000 2.498 154 A HA 0.641 4.962 4.320 0.001 0.000 0.298 154 A C -0.746 176.877 177.584 0.065 0.000 1.075 154 A CA -0.771 51.291 52.037 0.043 0.000 0.714 154 A CB 1.155 20.181 19.000 0.044 0.000 1.299 154 A HN 0.934 nan 8.150 nan 0.000 0.407 155 H N 0.959 120.028 119.070 -0.002 0.000 2.864 155 H HA 0.560 5.117 4.556 0.001 0.000 0.281 155 H C -0.899 174.428 175.328 -0.002 0.000 1.093 155 H CA 0.006 56.052 56.048 -0.003 0.000 1.453 155 H CB 0.111 29.871 29.762 -0.003 0.000 1.462 155 H HN 0.467 nan 8.280 nan 0.000 0.480 156 I N 6.708 127.413 120.570 0.224 0.000 2.382 156 I HA 0.125 4.296 4.170 0.001 0.000 0.286 156 I C -0.605 175.592 176.117 0.132 0.000 1.002 156 I CA -1.022 60.354 61.300 0.126 0.000 1.135 156 I CB 1.717 39.754 38.000 0.062 0.000 1.288 156 I HN 0.370 nan 8.210 nan 0.000 0.448 157 V N 5.197 125.162 119.914 0.085 0.000 2.350 157 V HA 0.537 4.658 4.120 0.001 0.000 0.276 157 V C 0.092 176.202 176.094 0.026 0.000 1.028 157 V CA -0.646 61.687 62.300 0.055 0.000 0.860 157 V CB 1.303 33.139 31.823 0.023 0.000 0.990 157 V HN 0.624 nan 8.190 nan 0.000 0.453 158 M N 4.510 124.122 119.600 0.020 0.000 2.162 158 M HA 0.285 4.766 4.480 0.001 0.000 0.356 158 M C 0.648 176.948 176.300 -0.001 0.000 1.303 158 M CA -0.124 55.179 55.300 0.004 0.000 1.116 158 M CB 1.172 33.771 32.600 -0.002 0.000 1.632 158 M HN 0.974 nan 8.290 nan 0.000 0.469 159 D N 1.448 121.845 120.400 -0.005 0.000 2.348 159 D HA 0.051 4.691 4.640 0.001 0.000 0.211 159 D C -0.077 176.215 176.300 -0.013 0.000 0.998 159 D CA 0.793 54.789 54.000 -0.008 0.000 0.873 159 D CB 0.472 41.268 40.800 -0.007 0.000 0.925 159 D HN 0.345 nan 8.370 nan 0.000 0.524 160 K N 0.186 120.575 120.400 -0.018 0.000 2.426 160 K HA 0.409 4.729 4.320 0.001 0.000 0.251 160 K C -1.077 175.508 176.600 -0.026 0.000 0.941 160 K CA -1.129 55.142 56.287 -0.026 0.000 0.808 160 K CB 3.221 35.700 32.500 -0.034 0.000 1.265 160 K HN -0.186 nan 8.250 nan 0.000 0.432 161 V N 1.964 121.861 119.914 -0.028 0.000 2.446 161 V HA 0.037 4.158 4.120 0.001 0.000 0.276 161 V C 0.263 176.338 176.094 -0.032 0.000 1.030 161 V CA 0.262 62.549 62.300 -0.022 0.000 1.033 161 V CB 0.702 32.515 31.823 -0.017 0.000 0.993 161 V HN 0.678 nan 8.190 nan 0.000 0.477 162 S N 4.206 119.892 115.700 -0.024 0.000 2.707 162 S HA 0.384 4.855 4.470 0.001 0.000 0.303 162 S C 0.666 175.275 174.600 0.015 0.000 1.132 162 S CA -0.651 57.537 58.200 -0.021 0.000 1.046 162 S CB 1.763 64.929 63.200 -0.057 0.000 1.004 162 S HN 0.362 nan 8.310 nan 0.000 0.483 163 V N 5.568 125.520 119.914 0.062 0.000 2.252 163 V HA -0.133 3.987 4.120 0.001 0.000 0.249 163 V C 2.683 178.911 176.094 0.225 0.000 1.056 163 V CA 2.720 65.100 62.300 0.133 0.000 1.022 163 V CB -1.310 30.618 31.823 0.175 0.000 0.641 163 V HN 0.944 nan 8.190 nan 0.000 0.445 164 G N -0.575 108.361 108.800 0.226 0.000 2.459 164 G HA2 -0.246 3.715 3.960 0.001 0.000 0.217 164 G HA3 -0.246 3.715 3.960 0.001 0.000 0.217 164 G C 1.739 176.696 174.900 0.095 0.000 1.183 164 G CA 1.170 46.477 45.100 0.345 0.000 0.776 164 G HN 0.660 nan 8.290 nan 0.000 0.552 165 A N -0.286 122.226 122.820 -0.514 0.000 2.015 165 A HA 0.062 4.383 4.320 0.001 0.000 0.219 165 A C 2.495 179.975 177.584 -0.173 0.000 1.163 165 A CA 2.317 53.935 52.037 -0.698 0.000 0.646 165 A CB -0.677 18.006 19.000 -0.529 0.000 0.806 165 A HN 0.318 nan 8.150 nan 0.000 0.448 166 T N -0.444 114.083 114.554 -0.044 0.000 2.770 166 T HA -0.092 4.258 4.350 0.001 0.000 0.263 166 T C 1.923 176.643 174.700 0.032 0.000 1.039 166 T CA 1.490 63.591 62.100 0.002 0.000 1.142 166 T CB -0.375 68.503 68.868 0.016 0.000 0.868 166 T HN 0.154 nan 8.240 nan 0.000 0.435 167 V N 1.600 121.567 119.914 0.089 0.000 2.252 167 V HA -0.239 3.882 4.120 0.001 0.000 0.249 167 V C 2.793 178.919 176.094 0.053 0.000 1.056 167 V CA 2.206 64.522 62.300 0.026 0.000 1.022 167 V CB -1.260 30.518 31.823 -0.075 0.000 0.641 167 V HN 0.518 nan 8.190 nan 0.000 0.445 168 T N 0.233 114.927 114.554 0.233 0.000 2.635 168 T HA -0.201 4.149 4.350 0.001 0.000 0.267 168 T C 1.784 176.557 174.700 0.122 0.000 1.040 168 T CA 2.096 64.353 62.100 0.262 0.000 1.156 168 T CB -0.321 68.793 68.868 0.411 0.000 0.863 168 T HN 0.234 nan 8.240 nan 0.000 0.430 169 I N 0.759 121.370 120.570 0.069 0.000 2.202 169 I HA -0.038 4.133 4.170 0.001 0.000 0.242 169 I C 2.390 178.520 176.117 0.022 0.000 1.091 169 I CA 0.992 62.315 61.300 0.039 0.000 1.368 169 I CB -0.895 37.114 38.000 0.015 0.000 1.058 169 I HN 0.266 nan 8.210 nan 0.000 0.410 170 M N -0.369 119.237 119.600 0.009 0.000 2.073 170 M HA -0.324 4.157 4.480 0.001 0.000 0.258 170 M C 2.530 178.823 176.300 -0.012 0.000 1.070 170 M CA 2.179 57.473 55.300 -0.010 0.000 1.103 170 M CB -0.258 32.328 32.600 -0.022 0.000 1.321 170 M HN 0.343 nan 8.290 nan 0.000 0.405 171 C N 0.444 119.740 119.300 -0.007 0.000 2.432 171 C HA -0.040 4.421 4.460 0.001 0.000 0.277 171 C C 2.390 177.389 174.990 0.014 0.000 1.249 171 C CA 0.997 60.014 59.018 -0.002 0.000 1.725 171 C CB -1.436 26.306 27.740 0.003 0.000 2.028 171 C HN 0.703 nan 8.230 nan 0.000 0.477 172 A N -0.556 122.286 122.820 0.037 0.000 2.543 172 A HA 0.573 4.894 4.320 0.001 0.000 0.258 172 A C 1.336 178.931 177.584 0.018 0.000 1.391 172 A CA 0.946 53.005 52.037 0.037 0.000 1.066 172 A CB -0.510 18.529 19.000 0.064 0.000 0.972 172 A HN 0.629 nan 8.150 nan 0.000 0.560 173 A N -1.261 121.560 122.820 0.001 0.000 2.377 173 A HA 0.185 4.506 4.320 0.001 0.000 0.209 173 A C 1.920 179.491 177.584 -0.022 0.000 1.359 173 A CA 1.063 53.095 52.037 -0.008 0.000 1.026 173 A CB -0.525 18.469 19.000 -0.010 0.000 1.224 173 A HN 0.686 nan 8.150 nan 0.000 0.528 174 T N -1.425 113.112 114.554 -0.028 0.000 3.007 174 T HA 0.052 4.402 4.350 0.001 0.000 0.270 174 T C 1.180 175.853 174.700 -0.045 0.000 1.107 174 T CA 1.411 63.485 62.100 -0.043 0.000 1.118 174 T CB -0.343 68.491 68.868 -0.056 0.000 0.889 174 T HN 0.249 nan 8.240 nan 0.000 0.506 175 L N 0.494 121.694 121.223 -0.038 0.000 2.857 175 L HA 0.555 4.896 4.340 0.001 0.000 0.249 175 L C 1.121 177.969 176.870 -0.036 0.000 1.172 175 L CA -0.632 54.181 54.840 -0.045 0.000 0.980 175 L CB -0.069 41.955 42.059 -0.058 0.000 1.299 175 L HN 0.257 nan 8.230 nan 0.000 0.535 176 A N 0.962 123.766 122.820 -0.027 0.000 2.322 176 A HA 0.350 4.671 4.320 0.001 0.000 0.269 176 A C 0.294 177.864 177.584 -0.023 0.000 1.094 176 A CA -0.408 51.617 52.037 -0.020 0.000 0.807 176 A CB 0.237 19.229 19.000 -0.013 0.000 1.047 176 A HN 0.412 nan 8.150 nan 0.000 0.487 177 E N 1.361 121.550 120.200 -0.019 0.000 2.316 177 E HA 0.478 4.829 4.350 0.001 0.000 0.275 177 E C 0.546 177.137 176.600 -0.015 0.000 1.029 177 E CA -0.063 56.326 56.400 -0.018 0.000 0.871 177 E CB 0.445 30.136 29.700 -0.015 0.000 1.022 177 E HN 1.669 nan 8.360 nan 0.000 0.418 178 G N 2.643 111.433 108.800 -0.017 0.000 2.698 178 G HA2 -0.204 3.757 3.960 0.001 0.000 0.225 178 G HA3 -0.204 3.757 3.960 0.001 0.000 0.225 178 G C -0.486 174.401 174.900 -0.021 0.000 1.345 178 G CA -0.398 44.692 45.100 -0.016 0.000 0.871 178 G HN 0.648 nan 8.290 nan 0.000 0.540 179 T N 1.170 115.710 114.554 -0.024 0.000 2.817 179 T HA 0.604 4.955 4.350 0.001 0.000 0.293 179 T C 0.310 174.987 174.700 -0.039 0.000 0.964 179 T CA 0.420 62.498 62.100 -0.036 0.000 1.085 179 T CB 1.355 70.196 68.868 -0.045 0.000 0.921 179 T HN 0.763 nan 8.240 nan 0.000 0.502 180 T N 3.914 118.441 114.554 -0.045 0.000 2.758 180 T HA 0.546 4.896 4.350 0.001 0.000 0.285 180 T C -0.006 174.644 174.700 -0.084 0.000 0.981 180 T CA -0.477 61.594 62.100 -0.047 0.000 0.965 180 T CB 0.298 69.150 68.868 -0.027 0.000 0.927 180 T HN 0.348 nan 8.240 nan 0.000 0.448 181 I N 3.582 124.069 120.570 -0.139 0.000 2.377 181 I HA 0.460 4.631 4.170 0.001 0.000 0.293 181 I C -0.210 175.846 176.117 -0.103 0.000 0.987 181 I CA -0.566 60.613 61.300 -0.202 0.000 1.185 181 I CB 1.429 39.138 38.000 -0.485 0.000 1.341 181 I HN 0.527 nan 8.210 nan 0.000 0.455 182 I N 5.746 126.282 120.570 -0.056 0.000 2.390 182 I HA 0.309 4.480 4.170 0.001 0.000 0.283 182 I C -0.242 175.882 176.117 0.010 0.000 1.016 182 I CA -0.622 60.676 61.300 -0.005 0.000 1.151 182 I CB 0.663 38.659 38.000 -0.007 0.000 1.293 182 I HN 0.477 nan 8.210 nan 0.000 0.458 183 E N 5.678 125.910 120.200 0.053 0.000 2.266 183 E HA 0.134 4.484 4.350 0.001 0.000 0.277 183 E C 0.215 176.837 176.600 0.037 0.000 1.018 183 E CA -0.387 56.049 56.400 0.061 0.000 0.840 183 E CB 1.340 31.111 29.700 0.119 0.000 1.082 183 E HN 0.650 nan 8.360 nan 0.000 0.395 184 N N 0.523 119.238 118.700 0.026 0.000 2.758 184 N HA -0.226 4.515 4.740 0.001 0.000 0.248 184 N C -0.918 174.599 175.510 0.011 0.000 1.076 184 N CA 0.180 53.239 53.050 0.016 0.000 0.696 184 N CB -0.446 38.048 38.487 0.012 0.000 0.979 184 N HN 0.528 nan 8.380 nan 0.000 0.550 185 A N 0.505 123.333 122.820 0.013 0.000 2.371 185 A HA 0.665 4.986 4.320 0.001 0.000 0.257 185 A C 0.816 178.411 177.584 0.018 0.000 1.089 185 A CA 0.301 52.344 52.037 0.011 0.000 0.794 185 A CB 0.811 19.815 19.000 0.007 0.000 1.029 185 A HN 0.632 nan 8.150 nan 0.000 0.488 186 A N 1.879 124.711 122.820 0.021 0.000 2.477 186 A HA 0.450 4.771 4.320 0.001 0.000 0.246 186 A C 1.055 178.664 177.584 0.042 0.000 1.078 186 A CA -0.229 51.829 52.037 0.036 0.000 0.770 186 A CB 0.052 19.078 19.000 0.043 0.000 1.011 186 A HN 0.899 nan 8.150 nan 0.000 0.494 187 R N 1.896 122.436 120.500 0.067 0.000 2.586 187 R HA 0.136 4.477 4.340 0.001 0.000 0.336 187 R C -0.905 175.433 176.300 0.064 0.000 1.060 187 R CA -0.381 55.763 56.100 0.075 0.000 1.079 187 R CB -0.066 30.294 30.300 0.099 0.000 1.317 187 R HN 0.711 nan 8.270 nan 0.000 0.568 188 E N 1.955 122.165 120.200 0.017 0.000 2.422 188 E HA 0.052 4.403 4.350 0.001 0.000 0.260 188 E C -1.841 174.629 176.600 -0.216 0.000 1.108 188 E CA -2.122 54.178 56.400 -0.167 0.000 0.943 188 E CB 0.350 29.998 29.700 -0.086 0.000 0.961 188 E HN -0.082 nan 8.360 nan 0.000 0.443 189 P HA -0.113 nan 4.420 nan 0.000 0.222 189 P C 0.660 177.903 177.300 -0.096 0.000 1.147 189 P CA 1.130 64.108 63.100 -0.204 0.000 0.790 189 P CB 0.279 31.843 31.700 -0.226 0.000 0.780 190 E N -0.923 119.225 120.200 -0.087 0.000 2.208 190 E HA -0.067 4.284 4.350 0.001 0.000 0.193 190 E C 1.869 178.436 176.600 -0.056 0.000 0.988 190 E CA 0.765 57.136 56.400 -0.048 0.000 0.828 190 E CB -0.718 28.972 29.700 -0.017 0.000 0.763 190 E HN 0.309 nan 8.360 nan 0.000 0.478 191 I N -0.410 120.131 120.570 -0.048 0.000 2.400 191 I HA -0.148 4.023 4.170 0.001 0.000 0.248 191 I C 1.919 178.013 176.117 -0.039 0.000 1.109 191 I CA 0.407 61.681 61.300 -0.044 0.000 1.425 191 I CB -0.204 37.786 38.000 -0.017 0.000 1.094 191 I HN -0.017 nan 8.210 nan 0.000 0.425 192 V N 1.211 121.108 119.914 -0.028 0.000 2.332 192 V HA -0.332 3.788 4.120 0.001 0.000 0.248 192 V C 2.181 178.281 176.094 0.010 0.000 1.055 192 V CA 2.287 64.583 62.300 -0.007 0.000 1.038 192 V CB -0.616 31.207 31.823 -0.001 0.000 0.651 192 V HN 0.403 nan 8.190 nan 0.000 0.450 193 D N -0.427 119.983 120.400 0.016 0.000 2.097 193 D HA -0.122 4.519 4.640 0.001 0.000 0.197 193 D C 2.309 178.564 176.300 -0.074 0.000 0.984 193 D CA 1.720 55.762 54.000 0.070 0.000 0.826 193 D CB -0.208 40.649 40.800 0.095 0.000 0.973 193 D HN 0.394 nan 8.370 nan 0.000 0.460 194 T N -0.026 114.469 114.554 -0.100 0.000 2.720 194 T HA -0.157 4.194 4.350 0.001 0.000 0.268 194 T C 1.925 176.577 174.700 -0.079 0.000 1.037 194 T CA 1.569 63.594 62.100 -0.124 0.000 1.144 194 T CB -0.473 68.296 68.868 -0.164 0.000 0.864 194 T HN 0.214 nan 8.240 nan 0.000 0.444 195 A N 2.423 125.198 122.820 -0.075 0.000 1.877 195 A HA -0.163 4.158 4.320 0.001 0.000 0.216 195 A C 2.238 179.767 177.584 -0.092 0.000 1.186 195 A CA 1.644 53.639 52.037 -0.068 0.000 0.620 195 A CB -0.630 18.343 19.000 -0.044 0.000 0.822 195 A HN 0.399 nan 8.150 nan 0.000 0.443 196 N N -1.070 117.582 118.700 -0.081 0.000 2.244 196 N HA -0.089 4.652 4.740 0.001 0.000 0.183 196 N C 1.315 176.677 175.510 -0.246 0.000 1.016 196 N CA 1.216 54.238 53.050 -0.046 0.000 0.866 196 N CB -0.609 37.968 38.487 0.149 0.000 0.980 196 N HN 0.537 nan 8.380 nan 0.000 0.430 197 F N 1.760 121.180 119.950 -0.884 0.000 2.069 197 F HA -0.090 4.438 4.527 0.001 0.000 0.298 197 F C 1.902 177.474 175.800 -0.380 0.000 1.113 197 F CA 1.226 58.643 58.000 -0.972 0.000 1.214 197 F CB -0.552 37.893 39.000 -0.925 0.000 0.978 197 F HN -0.070 nan 8.300 nan 0.000 0.474 198 L N 0.003 120.982 121.223 -0.407 0.000 2.127 198 L HA -0.246 4.095 4.340 0.001 0.000 0.211 198 L C 2.460 179.149 176.870 -0.301 0.000 1.089 198 L CA 1.398 56.001 54.840 -0.394 0.000 0.757 198 L CB -0.667 41.284 42.059 -0.180 0.000 0.899 198 L HN 0.230 nan 8.230 nan 0.000 0.434 199 I N -0.947 119.499 120.570 -0.207 0.000 2.353 199 I HA -0.225 3.945 4.170 0.001 0.000 0.248 199 I C 2.415 178.452 176.117 -0.133 0.000 1.119 199 I CA 1.184 62.405 61.300 -0.132 0.000 1.417 199 I CB -0.539 37.419 38.000 -0.069 0.000 1.078 199 I HN 0.210 nan 8.210 nan 0.000 0.421 200 T N 1.746 116.210 114.554 -0.151 0.000 2.737 200 T HA -0.148 4.202 4.350 0.001 0.000 0.269 200 T C 1.804 176.393 174.700 -0.186 0.000 1.040 200 T CA 1.280 63.312 62.100 -0.112 0.000 1.142 200 T CB -0.329 68.533 68.868 -0.011 0.000 0.861 200 T HN 0.310 nan 8.240 nan 0.000 0.456 201 L N 0.161 121.189 121.223 -0.325 0.000 2.465 201 L HA 0.212 4.553 4.340 0.001 0.000 0.224 201 L C 1.963 178.733 176.870 -0.167 0.000 1.145 201 L CA 0.641 55.319 54.840 -0.271 0.000 0.834 201 L CB -0.632 41.203 42.059 -0.374 0.000 0.944 201 L HN 0.520 nan 8.230 nan 0.000 0.451 202 G N -0.059 108.654 108.800 -0.145 0.000 2.135 202 G HA2 -0.153 3.808 3.960 0.001 0.000 0.183 202 G HA3 -0.153 3.808 3.960 0.001 0.000 0.183 202 G C 0.282 175.125 174.900 -0.095 0.000 1.004 202 G CA -0.157 44.883 45.100 -0.099 0.000 0.677 202 G HN 0.480 nan 8.290 nan 0.000 0.512 203 A N -0.114 122.635 122.820 -0.117 0.000 2.366 203 A HA 0.670 4.991 4.320 0.001 0.000 0.249 203 A C 0.562 178.101 177.584 -0.075 0.000 1.084 203 A CA 0.212 52.191 52.037 -0.097 0.000 0.794 203 A CB 0.488 19.421 19.000 -0.111 0.000 1.034 203 A HN 0.312 nan 8.150 nan 0.000 0.491 204 K N 1.299 121.663 120.400 -0.061 0.000 2.347 204 K HA 0.542 4.863 4.320 0.001 0.000 0.262 204 K C -1.501 175.071 176.600 -0.046 0.000 1.052 204 K CA 0.188 56.446 56.287 -0.049 0.000 0.946 204 K CB 0.536 33.011 32.500 -0.042 0.000 1.220 204 K HN 0.604 nan 8.250 nan 0.000 0.450 205 I N 1.447 121.990 120.570 -0.044 0.000 2.499 205 I HA 0.157 4.327 4.170 0.001 0.000 0.288 205 I C -0.381 175.717 176.117 -0.032 0.000 1.048 205 I CA -0.703 60.573 61.300 -0.040 0.000 1.062 205 I CB 2.186 40.158 38.000 -0.045 0.000 1.238 205 I HN 0.359 nan 8.210 nan 0.000 0.426 206 S N 3.969 119.651 115.700 -0.030 0.000 2.482 206 S HA 0.740 5.211 4.470 0.001 0.000 0.303 206 S C 0.590 175.178 174.600 -0.021 0.000 1.091 206 S CA 0.362 58.548 58.200 -0.024 0.000 1.057 206 S CB 1.629 64.814 63.200 -0.025 0.000 1.031 206 S HN 1.226 nan 8.310 nan 0.000 0.485 207 G N 2.749 111.541 108.800 -0.013 0.000 2.143 207 G HA2 -0.222 3.738 3.960 0.001 0.000 0.249 207 G HA3 -0.222 3.738 3.960 0.001 0.000 0.249 207 G C 0.077 174.974 174.900 -0.005 0.000 0.981 207 G CA 0.241 45.336 45.100 -0.008 0.000 0.665 207 G HN 1.215 nan 8.290 nan 0.000 0.528 208 Q N 0.047 119.843 119.800 -0.007 0.000 2.283 208 Q HA 0.364 4.705 4.340 0.001 0.000 0.301 208 Q C 1.180 177.184 176.000 0.007 0.000 1.063 208 Q CA 1.095 56.895 55.803 -0.004 0.000 0.952 208 Q CB 0.779 29.510 28.738 -0.010 0.000 1.166 208 Q HN 1.856 nan 8.270 nan 0.000 0.381 209 G N 2.200 111.008 108.800 0.014 0.000 2.175 209 G HA2 -0.295 3.665 3.960 0.001 0.000 0.244 209 G HA3 -0.295 3.665 3.960 0.001 0.000 0.244 209 G C 0.220 175.145 174.900 0.041 0.000 0.982 209 G CA 0.495 45.615 45.100 0.033 0.000 0.641 209 G HN 1.199 nan 8.290 nan 0.000 0.527 210 T N -2.365 112.204 114.554 0.026 0.000 2.905 210 T HA 0.577 4.928 4.350 0.001 0.000 0.283 210 T C 0.945 175.657 174.700 0.020 0.000 1.031 210 T CA 0.658 62.772 62.100 0.022 0.000 1.002 210 T CB 1.820 70.695 68.868 0.012 0.000 1.200 210 T HN 0.243 nan 8.240 nan 0.000 0.560 211 D N -0.911 119.499 120.400 0.016 0.000 2.355 211 D HA 0.012 4.653 4.640 0.001 0.000 0.218 211 D C 0.701 177.008 176.300 0.011 0.000 1.004 211 D CA 0.169 54.178 54.000 0.015 0.000 0.880 211 D CB 0.039 40.848 40.800 0.015 0.000 0.911 211 D HN 0.564 nan 8.370 nan 0.000 0.528 212 R N 0.422 120.925 120.500 0.004 0.000 2.476 212 R HA 0.546 4.887 4.340 0.001 0.000 0.305 212 R C -1.208 175.082 176.300 -0.017 0.000 0.965 212 R CA -0.666 55.430 56.100 -0.007 0.000 0.867 212 R CB 0.956 31.249 30.300 -0.011 0.000 1.176 212 R HN -0.007 nan 8.270 nan 0.000 0.447 213 I N 4.607 125.162 120.570 -0.025 0.000 2.404 213 I HA 0.351 4.522 4.170 0.001 0.000 0.293 213 I C -0.512 175.576 176.117 -0.047 0.000 0.992 213 I CA -1.187 60.095 61.300 -0.030 0.000 1.149 213 I CB 2.162 40.148 38.000 -0.022 0.000 1.315 213 I HN 0.238 nan 8.210 nan 0.000 0.446 214 V N 7.143 127.029 119.914 -0.047 0.000 2.384 214 V HA 0.463 4.584 4.120 0.001 0.000 0.287 214 V C -0.319 175.746 176.094 -0.047 0.000 1.020 214 V CA -0.466 61.800 62.300 -0.057 0.000 0.850 214 V CB 1.612 33.401 31.823 -0.057 0.000 0.987 214 V HN 0.439 nan 8.190 nan 0.000 0.436 215 I N 3.752 124.293 120.570 -0.048 0.000 2.411 215 I HA 0.410 4.581 4.170 0.001 0.000 0.284 215 I C 0.099 176.191 176.117 -0.041 0.000 1.012 215 I CA -0.237 61.038 61.300 -0.043 0.000 1.119 215 I CB 1.599 39.577 38.000 -0.038 0.000 1.261 215 I HN 0.452 nan 8.210 nan 0.000 0.448 216 E N 4.431 124.607 120.200 -0.040 0.000 2.200 216 E HA 0.361 4.712 4.350 0.001 0.000 0.283 216 E C 0.294 176.872 176.600 -0.037 0.000 1.015 216 E CA -0.298 56.081 56.400 -0.036 0.000 0.819 216 E CB 1.804 31.484 29.700 -0.033 0.000 1.081 216 E HN 0.787 nan 8.360 nan 0.000 0.397 217 G N 1.873 110.653 108.800 -0.034 0.000 2.630 217 G HA2 0.263 4.223 3.960 0.001 0.000 0.236 217 G HA3 0.263 4.223 3.960 0.001 0.000 0.236 217 G C 0.065 174.942 174.900 -0.038 0.000 1.248 217 G CA -0.052 45.027 45.100 -0.035 0.000 0.844 217 G HN 0.333 nan 8.290 nan 0.000 0.588 218 V N -1.526 118.361 119.914 -0.044 0.000 3.102 218 V HA 0.576 4.697 4.120 0.001 0.000 0.312 218 V C 0.775 176.840 176.094 -0.048 0.000 1.135 218 V CA -0.803 61.470 62.300 -0.045 0.000 1.022 218 V CB 2.044 33.836 31.823 -0.052 0.000 1.056 218 V HN 0.645 nan 8.190 nan 0.000 0.436 219 E N 0.587 120.759 120.200 -0.046 0.000 2.047 219 E HA 0.055 4.406 4.350 0.001 0.000 0.191 219 E C 0.699 177.263 176.600 -0.060 0.000 0.987 219 E CA 1.251 57.623 56.400 -0.048 0.000 0.799 219 E CB 0.267 29.943 29.700 -0.040 0.000 0.752 219 E HN 0.641 nan 8.360 nan 0.000 0.449 220 R N -1.314 119.149 120.500 -0.061 0.000 2.733 220 R HA 0.483 4.824 4.340 0.001 0.000 0.272 220 R C -1.395 174.862 176.300 -0.072 0.000 1.029 220 R CA -0.576 55.481 56.100 -0.071 0.000 0.888 220 R CB 1.228 31.491 30.300 -0.063 0.000 1.251 220 R HN -0.107 nan 8.270 nan 0.000 0.464 221 L N 0.287 121.462 121.223 -0.079 0.000 2.354 221 L HA 0.637 4.978 4.340 0.001 0.000 0.269 221 L C 0.705 177.527 176.870 -0.080 0.000 1.005 221 L CA -0.718 54.066 54.840 -0.094 0.000 0.819 221 L CB 2.088 44.076 42.059 -0.118 0.000 1.311 221 L HN 0.833 nan 8.230 nan 0.000 0.423 222 G N 0.411 109.159 108.800 -0.087 0.000 2.882 222 G HA2 0.651 4.612 3.960 0.001 0.000 0.164 222 G HA3 0.651 4.612 3.960 0.001 0.000 0.164 222 G C -0.086 174.780 174.900 -0.057 0.000 1.429 222 G CA 0.140 45.204 45.100 -0.060 0.000 1.059 222 G HN 0.742 nan 8.290 nan 0.000 0.581 223 G N -2.708 106.069 108.800 -0.038 0.000 3.107 223 G HA2 0.727 4.687 3.960 0.001 0.000 0.232 223 G HA3 0.727 4.687 3.960 0.001 0.000 0.232 223 G C -0.256 174.630 174.900 -0.023 0.000 1.339 223 G CA -0.125 44.965 45.100 -0.016 0.000 1.033 223 G HN 1.829 nan 8.290 nan 0.000 0.567 224 G N -2.837 105.977 108.800 0.023 0.000 2.350 224 G HA2 0.482 4.443 3.960 0.001 0.000 0.304 224 G HA3 0.482 4.443 3.960 0.001 0.000 0.304 224 G C -1.869 173.094 174.900 0.105 0.000 1.421 224 G CA -0.228 44.898 45.100 0.043 0.000 0.934 224 G HN 1.160 nan 8.290 nan 0.000 0.632 225 V N 0.728 120.709 119.914 0.112 0.000 2.459 225 V HA 0.735 4.856 4.120 0.001 0.000 0.295 225 V C -0.941 175.268 176.094 0.193 0.000 1.029 225 V CA -0.642 61.729 62.300 0.118 0.000 0.874 225 V CB 1.534 33.388 31.823 0.052 0.000 0.985 225 V HN 0.859 nan 8.190 nan 0.000 0.438 226 Y N 4.324 124.678 120.300 0.091 0.000 2.421 226 Y HA 0.550 5.100 4.550 0.001 0.000 0.339 226 Y C -0.101 175.812 175.900 0.021 0.000 0.996 226 Y CA -0.805 57.358 58.100 0.106 0.000 1.046 226 Y CB 1.524 40.168 38.460 0.307 0.000 1.226 226 Y HN 0.586 nan 8.280 nan 0.000 0.445 227 R N 5.445 125.638 120.500 -0.512 0.000 2.229 227 R HA 0.536 4.877 4.340 0.001 0.000 0.328 227 R C -1.371 174.737 176.300 -0.320 0.000 1.009 227 R CA -0.495 55.415 56.100 -0.316 0.000 0.864 227 R CB 0.751 30.899 30.300 -0.253 0.000 1.085 227 R HN 0.606 nan 8.270 nan 0.000 0.453 228 V N 6.764 126.635 119.914 -0.072 0.000 2.637 228 V HA 0.025 4.146 4.120 0.001 0.000 0.296 228 V C 0.950 177.032 176.094 -0.021 0.000 1.046 228 V CA -0.214 62.099 62.300 0.023 0.000 1.066 228 V CB 0.721 32.547 31.823 0.004 0.000 0.968 228 V HN 0.680 nan 8.190 nan 0.000 0.483 229 L N 5.701 126.931 121.223 0.012 0.000 2.476 229 L HA 0.472 4.812 4.340 0.001 0.000 0.264 229 L C -2.354 174.511 176.870 -0.007 0.000 1.224 229 L CA -1.406 53.429 54.840 -0.007 0.000 0.821 229 L CB -0.175 41.889 42.059 0.009 0.000 1.101 229 L HN 0.350 nan 8.230 nan 0.000 0.488 230 P HA 0.012 nan 4.420 nan 0.000 0.269 230 P C -1.126 176.178 177.300 0.007 0.000 1.209 230 P CA -0.068 63.037 63.100 0.007 0.000 0.776 230 P CB 0.365 32.076 31.700 0.019 0.000 0.876 231 D N 2.389 122.796 120.400 0.011 0.000 2.346 231 D HA -0.020 4.621 4.640 0.001 0.000 0.260 231 D C 1.272 177.582 176.300 0.017 0.000 1.252 231 D CA 0.045 54.043 54.000 -0.003 0.000 0.895 231 D CB 0.618 41.404 40.800 -0.023 0.000 1.097 231 D HN 0.360 nan 8.370 nan 0.000 0.489 232 R N 3.692 124.194 120.500 0.003 0.000 2.193 232 R HA -0.038 4.303 4.340 0.001 0.000 0.213 232 R C 1.256 177.570 176.300 0.023 0.000 1.055 232 R CA 0.268 56.380 56.100 0.020 0.000 0.995 232 R CB 0.061 30.363 30.300 0.004 0.000 0.893 232 R HN 0.325 nan 8.270 nan 0.000 0.459 233 I N 1.772 122.338 120.570 -0.007 0.000 2.480 233 I HA -0.078 4.092 4.170 0.001 0.000 0.251 233 I C 2.471 178.603 176.117 0.026 0.000 1.124 233 I CA 1.030 62.324 61.300 -0.009 0.000 1.444 233 I CB -1.078 36.890 38.000 -0.052 0.000 1.098 233 I HN 0.335 nan 8.210 nan 0.000 0.428 234 E N 1.098 121.302 120.200 0.006 0.000 2.107 234 E HA -0.158 4.193 4.350 0.001 0.000 0.191 234 E C 1.942 178.701 176.600 0.266 0.000 0.982 234 E CA 1.676 58.151 56.400 0.125 0.000 0.809 234 E CB 0.201 29.965 29.700 0.106 0.000 0.756 234 E HN 0.385 nan 8.360 nan 0.000 0.459 235 T N 0.219 114.901 114.554 0.213 0.000 2.607 235 T HA -0.182 4.169 4.350 0.001 0.000 0.267 235 T C 1.853 176.669 174.700 0.193 0.000 1.049 235 T CA 1.533 63.766 62.100 0.222 0.000 1.162 235 T CB -0.974 67.981 68.868 0.144 0.000 0.863 235 T HN 0.417 nan 8.240 nan 0.000 0.424 236 G N 0.949 109.832 108.800 0.138 0.000 2.469 236 G HA2 -0.246 3.715 3.960 0.001 0.000 0.220 236 G HA3 -0.246 3.715 3.960 0.001 0.000 0.220 236 G C 1.697 176.656 174.900 0.098 0.000 1.136 236 G CA 1.575 46.761 45.100 0.143 0.000 0.759 236 G HN 0.490 nan 8.290 nan 0.000 0.562 237 T N 1.058 115.642 114.554 0.049 0.000 2.674 237 T HA -0.077 4.273 4.350 0.001 0.000 0.265 237 T C 2.034 176.612 174.700 -0.203 0.000 1.039 237 T CA 1.203 63.238 62.100 -0.108 0.000 1.150 237 T CB -0.350 68.440 68.868 -0.130 0.000 0.864 237 T HN 0.225 nan 8.240 nan 0.000 0.427 238 F N 1.121 121.124 119.950 0.088 0.000 2.293 238 F HA 0.109 4.637 4.527 0.002 0.000 0.300 238 F C 2.088 177.907 175.800 0.032 0.000 1.086 238 F CA 0.411 58.442 58.000 0.051 0.000 1.375 238 F CB -0.795 38.241 39.000 0.061 0.000 1.045 238 F HN 0.091 nan 8.300 nan 0.000 0.516 239 L N -0.982 120.351 121.223 0.184 0.000 2.027 239 L HA -0.192 4.149 4.340 0.001 0.000 0.206 239 L C 2.429 179.319 176.870 0.033 0.000 1.074 239 L CA 0.775 55.685 54.840 0.117 0.000 0.745 239 L CB -0.947 41.191 42.059 0.131 0.000 0.898 239 L HN -0.071 nan 8.230 nan 0.000 0.433 240 V N 0.375 120.268 119.914 -0.035 0.000 2.332 240 V HA -0.351 3.770 4.120 0.001 0.000 0.248 240 V C 2.827 178.864 176.094 -0.096 0.000 1.055 240 V CA 1.874 64.082 62.300 -0.153 0.000 1.038 240 V CB -0.994 30.682 31.823 -0.246 0.000 0.651 240 V HN 0.511 nan 8.190 nan 0.000 0.450 241 A N -0.095 122.693 122.820 -0.053 0.000 1.927 241 A HA -0.243 4.078 4.320 0.001 0.000 0.220 241 A C 2.371 179.955 177.584 -0.000 0.000 1.185 241 A CA 2.607 54.630 52.037 -0.023 0.000 0.639 241 A CB -0.755 18.267 19.000 0.037 0.000 0.820 241 A HN 0.636 nan 8.150 nan 0.000 0.451 242 A N -0.790 122.041 122.820 0.020 0.000 1.930 242 A HA 0.358 4.678 4.320 0.001 0.000 0.215 242 A C 2.453 180.033 177.584 -0.007 0.000 1.176 242 A CA 1.541 53.586 52.037 0.013 0.000 0.632 242 A CB -0.855 18.160 19.000 0.025 0.000 0.819 242 A HN 1.053 nan 8.150 nan 0.000 0.445 243 A N 0.715 123.523 122.820 -0.019 0.000 1.933 243 A HA -0.089 4.232 4.320 0.001 0.000 0.218 243 A C 2.052 179.616 177.584 -0.034 0.000 1.175 243 A CA 1.588 53.608 52.037 -0.028 0.000 0.628 243 A CB -0.696 18.265 19.000 -0.064 0.000 0.814 243 A HN 1.006 nan 8.150 nan 0.000 0.444 244 I N -2.935 117.606 120.570 -0.047 0.000 3.603 244 I HA 0.108 4.279 4.170 0.001 0.000 0.297 244 I C 1.515 177.618 176.117 -0.023 0.000 1.269 244 I CA 1.193 62.469 61.300 -0.041 0.000 1.361 244 I CB 0.222 38.188 38.000 -0.057 0.000 1.063 244 I HN 0.238 nan 8.210 nan 0.000 0.448 245 S N 0.921 116.610 115.700 -0.017 0.000 2.568 245 S HA 0.313 4.783 4.470 0.001 0.000 0.232 245 S C 0.834 175.430 174.600 -0.008 0.000 0.975 245 S CA -0.603 57.591 58.200 -0.010 0.000 0.949 245 S CB -0.225 62.970 63.200 -0.007 0.000 0.829 245 S HN 0.576 nan 8.310 nan 0.000 0.479 246 R N -0.153 120.343 120.500 -0.006 0.000 3.651 246 R HA -0.128 4.213 4.340 0.001 0.000 0.292 246 R C 0.678 176.971 176.300 -0.012 0.000 1.161 246 R CA 0.528 56.627 56.100 -0.001 0.000 0.787 246 R CB -2.541 27.762 30.300 0.005 0.000 1.249 246 R HN 0.613 nan 8.270 nan 0.000 0.476 247 G N 0.697 109.486 108.800 -0.019 0.000 2.890 247 G HA2 0.574 4.535 3.960 0.001 0.000 0.189 247 G HA3 0.574 4.535 3.960 0.001 0.000 0.189 247 G C -0.736 174.132 174.900 -0.053 0.000 1.342 247 G CA -0.263 44.819 45.100 -0.031 0.000 1.026 247 G HN 0.072 nan 8.290 nan 0.000 0.579 248 K N -0.938 119.431 120.400 -0.051 0.000 2.616 248 K HA 0.535 4.856 4.320 0.001 0.000 0.255 248 K C -1.917 174.657 176.600 -0.044 0.000 0.995 248 K CA -0.460 55.785 56.287 -0.070 0.000 0.860 248 K CB 1.213 33.646 32.500 -0.112 0.000 1.264 248 K HN 0.466 nan 8.250 nan 0.000 0.451 249 I N 4.879 125.437 120.570 -0.021 0.000 2.689 249 I HA 0.559 4.730 4.170 0.001 0.000 0.299 249 I C -1.405 174.702 176.117 -0.018 0.000 1.059 249 I CA -1.537 59.755 61.300 -0.013 0.000 1.055 249 I CB 1.444 39.465 38.000 0.034 0.000 1.243 249 I HN 0.720 nan 8.210 nan 0.000 0.425 250 I N 6.394 126.933 120.570 -0.051 0.000 2.382 250 I HA 0.267 4.438 4.170 0.001 0.000 0.286 250 I C -0.540 175.566 176.117 -0.018 0.000 1.002 250 I CA -0.160 61.105 61.300 -0.059 0.000 1.135 250 I CB 1.098 38.981 38.000 -0.195 0.000 1.288 250 I HN 0.409 nan 8.210 nan 0.000 0.448 251 C N 6.462 125.802 119.300 0.067 0.000 2.373 251 C HA 0.509 4.970 4.460 0.001 0.000 0.354 251 C C 0.944 176.013 174.990 0.132 0.000 1.249 251 C CA -0.694 58.373 59.018 0.081 0.000 1.784 251 C CB -0.844 26.975 27.740 0.132 0.000 2.408 251 C HN 0.694 nan 8.230 nan 0.000 0.542 252 R N 1.682 122.228 120.500 0.076 0.000 2.782 252 R HA 0.346 4.687 4.340 0.001 0.000 0.258 252 R C 0.433 176.786 176.300 0.087 0.000 1.055 252 R CA -0.606 55.562 56.100 0.114 0.000 1.065 252 R CB 0.430 30.757 30.300 0.046 0.000 1.172 252 R HN 0.814 nan 8.270 nan 0.000 0.510 253 N N -0.643 118.112 118.700 0.092 0.000 2.725 253 N HA -0.221 4.520 4.740 0.001 0.000 0.251 253 N C -1.271 174.273 175.510 0.056 0.000 1.031 253 N CA 0.397 53.481 53.050 0.058 0.000 0.720 253 N CB -0.404 38.101 38.487 0.030 0.000 0.930 253 N HN 0.580 nan 8.380 nan 0.000 0.543 254 A N 0.471 123.336 122.820 0.074 0.000 2.346 254 A HA 0.585 4.906 4.320 0.001 0.000 0.313 254 A C -0.036 177.565 177.584 0.028 0.000 1.140 254 A CA -0.429 51.646 52.037 0.063 0.000 0.826 254 A CB 1.631 20.690 19.000 0.099 0.000 1.332 254 A HN 0.303 nan 8.150 nan 0.000 0.457 255 Q N 0.547 120.361 119.800 0.023 0.000 2.907 255 Q HA 0.313 4.654 4.340 0.001 0.000 0.262 255 Q C -2.167 173.838 176.000 0.009 0.000 0.997 255 Q CA -1.849 53.956 55.803 0.003 0.000 0.797 255 Q CB 0.971 29.710 28.738 0.001 0.000 1.228 255 Q HN 0.431 nan 8.270 nan 0.000 0.466 256 P HA -0.212 nan 4.420 nan 0.000 0.217 256 P C 0.581 177.891 177.300 0.016 0.000 1.148 256 P CA 1.531 64.634 63.100 0.005 0.000 0.828 256 P CB 0.183 31.862 31.700 -0.036 0.000 0.783 257 D N -1.168 119.236 120.400 0.008 0.000 2.309 257 D HA -0.141 4.500 4.640 0.001 0.000 0.212 257 D C 1.207 177.547 176.300 0.067 0.000 0.968 257 D CA 1.555 55.571 54.000 0.026 0.000 0.882 257 D CB -1.621 39.188 40.800 0.016 0.000 0.918 257 D HN 0.215 nan 8.370 nan 0.000 0.503 258 T N -2.316 112.276 114.554 0.064 0.000 3.148 258 T HA 0.120 4.470 4.350 0.001 0.000 0.253 258 T C 1.402 176.199 174.700 0.162 0.000 1.134 258 T CA 0.078 62.237 62.100 0.098 0.000 1.051 258 T CB -0.187 68.691 68.868 0.017 0.000 0.959 258 T HN 0.230 nan 8.240 nan 0.000 0.525 259 L N 0.437 121.719 121.223 0.099 0.000 3.267 259 L HA 0.290 4.631 4.340 0.001 0.000 0.289 259 L C 0.848 177.747 176.870 0.047 0.000 1.260 259 L CA -0.274 54.608 54.840 0.070 0.000 1.034 259 L CB 0.440 42.538 42.059 0.065 0.000 1.413 259 L HN -0.017 nan 8.230 nan 0.000 0.594 260 D N 1.730 122.151 120.400 0.035 0.000 2.204 260 D HA -0.292 4.349 4.640 0.001 0.000 0.189 260 D C 2.101 178.413 176.300 0.020 0.000 1.006 260 D CA 2.046 56.056 54.000 0.018 0.000 0.855 260 D CB 0.099 40.894 40.800 -0.008 0.000 0.946 260 D HN 0.406 nan 8.370 nan 0.000 0.448 261 A N 0.641 123.457 122.820 -0.006 0.000 1.865 261 A HA -0.163 4.158 4.320 0.001 0.000 0.217 261 A C 2.662 180.284 177.584 0.063 0.000 1.191 261 A CA 1.960 54.011 52.037 0.023 0.000 0.623 261 A CB -0.905 18.098 19.000 0.005 0.000 0.826 261 A HN 0.174 nan 8.150 nan 0.000 0.444 262 V N 0.193 120.106 119.914 -0.003 0.000 2.343 262 V HA -0.242 3.879 4.120 0.001 0.000 0.247 262 V C 2.539 178.746 176.094 0.188 0.000 1.051 262 V CA 1.859 64.181 62.300 0.036 0.000 1.036 262 V CB -0.774 31.035 31.823 -0.024 0.000 0.654 262 V HN 0.548 nan 8.190 nan 0.000 0.451 263 L N 0.023 121.327 121.223 0.135 0.000 2.141 263 L HA -0.119 4.222 4.340 0.001 0.000 0.209 263 L C 2.722 179.676 176.870 0.142 0.000 1.094 263 L CA 1.368 56.295 54.840 0.146 0.000 0.763 263 L CB -0.785 41.336 42.059 0.104 0.000 0.908 263 L HN 0.372 nan 8.230 nan 0.000 0.437 264 A N -0.068 122.819 122.820 0.113 0.000 1.933 264 A HA -0.204 4.117 4.320 0.001 0.000 0.218 264 A C 2.243 179.902 177.584 0.126 0.000 1.175 264 A CA 1.544 53.640 52.037 0.097 0.000 0.628 264 A CB -0.261 18.778 19.000 0.066 0.000 0.814 264 A HN 0.152 nan 8.150 nan 0.000 0.444 265 K N -0.203 120.296 120.400 0.165 0.000 2.155 265 K HA 0.107 4.428 4.320 0.001 0.000 0.203 265 K C 1.698 178.497 176.600 0.332 0.000 1.052 265 K CA 0.914 57.330 56.287 0.215 0.000 0.948 265 K CB -0.508 32.076 32.500 0.140 0.000 0.728 265 K HN 0.521 nan 8.250 nan 0.000 0.448 266 L N -0.046 121.391 121.223 0.357 0.000 2.109 266 L HA -0.080 4.261 4.340 0.001 0.000 0.207 266 L C 2.285 179.259 176.870 0.173 0.000 1.086 266 L CA 1.066 56.070 54.840 0.273 0.000 0.760 266 L CB -0.253 41.952 42.059 0.243 0.000 0.910 266 L HN 0.086 nan 8.230 nan 0.000 0.437 267 R N 0.182 120.774 120.500 0.153 0.000 2.080 267 R HA -0.177 4.164 4.340 0.001 0.000 0.236 267 R C 1.911 178.273 176.300 0.103 0.000 1.137 267 R CA 1.760 57.929 56.100 0.114 0.000 0.943 267 R CB -0.613 29.745 30.300 0.097 0.000 0.846 267 R HN 0.334 nan 8.270 nan 0.000 0.431 268 D N 0.592 121.056 120.400 0.108 0.000 2.190 268 D HA -0.167 4.473 4.640 0.001 0.000 0.200 268 D C 1.524 177.880 176.300 0.094 0.000 0.992 268 D CA 1.569 55.624 54.000 0.091 0.000 0.854 268 D CB -0.167 40.685 40.800 0.088 0.000 0.936 268 D HN 0.312 nan 8.370 nan 0.000 0.462 269 A N -0.600 122.291 122.820 0.118 0.000 2.208 269 A HA 0.393 4.714 4.320 0.001 0.000 0.209 269 A C 1.753 179.383 177.584 0.077 0.000 1.161 269 A CA 1.150 53.245 52.037 0.097 0.000 0.782 269 A CB -0.057 19.008 19.000 0.109 0.000 0.816 269 A HN 0.280 nan 8.150 nan 0.000 0.477 270 G N -2.177 106.673 108.800 0.082 0.000 2.134 270 G HA2 0.155 4.116 3.960 0.001 0.000 0.209 270 G HA3 0.155 4.116 3.960 0.001 0.000 0.209 270 G C 0.315 175.272 174.900 0.095 0.000 0.993 270 G CA 0.137 45.282 45.100 0.076 0.000 0.669 270 G HN 1.496 nan 8.290 nan 0.000 0.519 271 A N 0.092 122.973 122.820 0.102 0.000 2.425 271 A HA 0.547 4.868 4.320 0.001 0.000 0.249 271 A C 0.250 177.914 177.584 0.133 0.000 1.084 271 A CA 0.536 52.642 52.037 0.114 0.000 0.781 271 A CB 0.543 19.604 19.000 0.101 0.000 1.019 271 A HN 0.536 nan 8.150 nan 0.000 0.490 272 D N 1.888 122.392 120.400 0.174 0.000 2.347 272 D HA 0.449 5.090 4.640 0.001 0.000 0.235 272 D C -0.810 175.585 176.300 0.157 0.000 1.149 272 D CA 0.146 54.266 54.000 0.199 0.000 0.850 272 D CB 0.083 41.130 40.800 0.410 0.000 1.061 272 D HN 0.322 nan 8.370 nan 0.000 0.487 273 I N 3.270 123.924 120.570 0.140 0.000 2.418 273 I HA 0.273 4.443 4.170 0.001 0.000 0.287 273 I C -0.160 176.046 176.117 0.149 0.000 1.008 273 I CA -0.733 60.651 61.300 0.141 0.000 1.104 273 I CB 1.731 39.808 38.000 0.128 0.000 1.264 273 I HN 0.225 nan 8.210 nan 0.000 0.438 274 E N 4.905 125.228 120.200 0.204 0.000 2.227 274 E HA 0.622 4.973 4.350 0.001 0.000 0.268 274 E C -1.147 175.604 176.600 0.252 0.000 0.907 274 E CA -0.581 55.958 56.400 0.231 0.000 0.786 274 E CB 2.505 32.396 29.700 0.319 0.000 1.191 274 E HN 0.329 nan 8.360 nan 0.000 0.411 275 V N 0.069 119.978 119.914 -0.008 0.000 2.483 275 V HA 0.936 5.057 4.120 0.001 0.000 0.297 275 V C 0.300 175.962 176.094 -0.721 0.000 1.027 275 V CA -0.580 61.553 62.300 -0.278 0.000 0.855 275 V CB 1.291 33.034 31.823 -0.134 0.000 0.995 275 V HN 0.627 nan 8.190 nan 0.000 0.424 276 G N 2.161 109.998 108.800 -1.605 0.000 2.606 276 G HA2 0.418 4.379 3.960 0.001 0.000 0.262 276 G HA3 0.418 4.379 3.960 0.001 0.000 0.262 276 G C 0.324 174.745 174.900 -0.799 0.000 1.394 276 G CA -0.090 44.117 45.100 -1.488 0.000 1.044 276 G HN 0.683 nan 8.290 nan 0.000 0.553 277 E N 0.045 119.907 120.200 -0.563 0.000 2.047 277 E HA -0.101 4.250 4.350 0.001 0.000 0.191 277 E C 0.787 177.249 176.600 -0.230 0.000 0.987 277 E CA 1.583 57.812 56.400 -0.284 0.000 0.799 277 E CB 0.097 29.702 29.700 -0.159 0.000 0.752 277 E HN 0.568 nan 8.360 nan 0.000 0.449 278 D N -1.471 118.792 120.400 -0.227 0.000 2.740 278 D HA 0.041 4.682 4.640 0.001 0.000 0.301 278 D C -0.044 176.310 176.300 0.089 0.000 1.408 278 D CA -0.475 53.494 54.000 -0.051 0.000 0.808 278 D CB -0.959 39.851 40.800 0.017 0.000 1.128 278 D HN 0.197 nan 8.370 nan 0.000 0.465 279 W N -0.233 121.074 121.300 0.011 0.000 3.213 279 W HA 0.626 5.286 4.660 0.001 0.000 0.318 279 W C -2.129 174.404 176.519 0.023 0.000 1.248 279 W CA -1.343 56.010 57.345 0.013 0.000 1.187 279 W CB 0.460 29.924 29.460 0.006 0.000 1.403 279 W HN -0.304 nan 8.180 nan 0.000 0.556 280 I N 3.312 124.164 120.570 0.471 0.000 2.436 280 I HA 0.290 4.461 4.170 0.001 0.000 0.289 280 I C 0.241 176.604 176.117 0.409 0.000 1.010 280 I CA -0.566 60.971 61.300 0.396 0.000 1.098 280 I CB 2.308 40.432 38.000 0.206 0.000 1.266 280 I HN 0.446 nan 8.210 nan 0.000 0.434 281 S N 7.392 123.347 115.700 0.424 0.000 2.578 281 S HA 0.856 5.327 4.470 0.001 0.000 0.301 281 S C -0.952 173.733 174.600 0.142 0.000 1.091 281 S CA -0.664 57.646 58.200 0.183 0.000 1.032 281 S CB 2.129 65.356 63.200 0.045 0.000 1.064 281 S HN 0.636 nan 8.310 nan 0.000 0.508 282 L N 2.064 123.329 121.223 0.070 0.000 2.493 282 L HA 0.640 4.980 4.340 0.001 0.000 0.265 282 L C -2.106 174.754 176.870 -0.017 0.000 0.954 282 L CA -0.274 54.599 54.840 0.055 0.000 0.844 282 L CB 2.011 44.112 42.059 0.069 0.000 1.302 282 L HN 0.844 nan 8.230 nan 0.000 0.405 283 D N 4.738 125.104 120.400 -0.057 0.000 2.863 283 D HA 0.323 4.963 4.640 0.001 0.000 0.245 283 D C 0.197 176.400 176.300 -0.162 0.000 1.211 283 D CA -0.436 53.423 54.000 -0.235 0.000 0.888 283 D CB 1.953 42.430 40.800 -0.538 0.000 1.483 283 D HN 0.469 nan 8.370 nan 0.000 0.533 284 M N 1.553 121.093 119.600 -0.100 0.000 2.556 284 M HA 0.039 4.520 4.480 0.001 0.000 0.245 284 M C 0.179 176.555 176.300 0.126 0.000 1.128 284 M CA 0.212 55.538 55.300 0.043 0.000 1.069 284 M CB -0.816 31.799 32.600 0.025 0.000 1.469 284 M HN 0.487 nan 8.290 nan 0.000 0.494 285 H N 0.286 119.365 119.070 0.014 0.000 2.604 285 H HA -0.168 4.389 4.556 0.001 0.000 0.321 285 H C 1.313 176.646 175.328 0.009 0.000 1.132 285 H CA 0.610 56.665 56.048 0.011 0.000 1.129 285 H CB -2.135 27.635 29.762 0.014 0.000 1.526 285 H HN 0.667 nan 8.280 nan 0.000 0.415 286 G N 0.096 108.930 108.800 0.057 0.000 2.175 286 G HA2 -0.337 3.624 3.960 0.001 0.000 0.265 286 G HA3 -0.337 3.624 3.960 0.001 0.000 0.265 286 G C 0.263 175.189 174.900 0.043 0.000 0.979 286 G CA 0.844 45.968 45.100 0.040 0.000 0.663 286 G HN 0.503 nan 8.290 nan 0.000 0.533 287 K N 0.321 120.756 120.400 0.059 0.000 2.185 287 K HA 0.391 4.712 4.320 0.001 0.000 0.269 287 K C 0.755 177.376 176.600 0.035 0.000 0.987 287 K CA -0.928 55.389 56.287 0.050 0.000 0.865 287 K CB 1.584 34.122 32.500 0.064 0.000 1.090 287 K HN 0.312 nan 8.250 nan 0.000 0.450 288 R N 3.520 124.036 120.500 0.026 0.000 2.619 288 R HA -0.023 4.318 4.340 0.001 0.000 0.268 288 R C -2.037 174.276 176.300 0.021 0.000 0.990 288 R CA -0.540 55.571 56.100 0.018 0.000 1.092 288 R CB 0.215 30.524 30.300 0.016 0.000 0.935 288 R HN 0.326 nan 8.270 nan 0.000 0.415 289 P HA 0.127 nan 4.420 nan 0.000 0.274 289 P C -1.285 176.028 177.300 0.021 0.000 1.237 289 P CA -0.200 62.911 63.100 0.017 0.000 0.793 289 P CB 0.782 32.481 31.700 -0.002 0.000 0.977 290 K N 0.673 121.092 120.400 0.032 0.000 2.118 290 K HA 0.565 4.886 4.320 0.001 0.000 0.267 290 K C 0.093 176.713 176.600 0.034 0.000 0.991 290 K CA -0.526 55.780 56.287 0.031 0.000 0.916 290 K CB 0.736 33.259 32.500 0.038 0.000 1.041 290 K HN 0.473 nan 8.250 nan 0.000 0.455 291 A N 1.901 124.733 122.820 0.020 0.000 2.477 291 A HA 0.385 4.705 4.320 0.001 0.000 0.246 291 A C -0.076 177.530 177.584 0.037 0.000 1.078 291 A CA -0.407 51.637 52.037 0.012 0.000 0.770 291 A CB -0.165 18.818 19.000 -0.028 0.000 1.011 291 A HN 0.559 nan 8.150 nan 0.000 0.494 292 V N 0.879 120.826 119.914 0.056 0.000 3.046 292 V HA 0.611 4.731 4.120 0.001 0.000 0.316 292 V C -0.275 175.849 176.094 0.049 0.000 1.104 292 V CA -1.218 61.124 62.300 0.069 0.000 1.006 292 V CB 1.824 33.718 31.823 0.118 0.000 1.058 292 V HN 0.876 nan 8.190 nan 0.000 0.440 293 N N 0.269 118.992 118.700 0.037 0.000 2.370 293 N HA 0.783 5.524 4.740 0.001 0.000 0.303 293 N C -1.613 173.844 175.510 -0.089 0.000 1.103 293 N CA -0.522 52.549 53.050 0.035 0.000 0.848 293 N CB 2.323 40.854 38.487 0.073 0.000 1.235 293 N HN 0.575 nan 8.380 nan 0.000 0.496 294 V N 1.562 121.382 119.914 -0.155 0.000 2.971 294 V HA 0.488 4.608 4.120 0.001 0.000 0.309 294 V C -0.996 174.928 176.094 -0.283 0.000 1.130 294 V CA -0.617 61.438 62.300 -0.408 0.000 0.964 294 V CB 2.493 33.873 31.823 -0.739 0.000 1.029 294 V HN 0.665 nan 8.190 nan 0.000 0.427 295 R N 2.235 122.559 120.500 -0.294 0.000 2.531 295 R HA 0.497 4.838 4.340 0.001 0.000 0.293 295 R C -0.413 175.881 176.300 -0.011 0.000 1.124 295 R CA -0.230 55.810 56.100 -0.099 0.000 0.945 295 R CB 1.732 32.001 30.300 -0.052 0.000 1.195 295 R HN 0.907 nan 8.270 nan 0.000 0.433 296 T N 1.093 115.693 114.554 0.078 0.000 2.899 296 T HA 0.755 5.106 4.350 0.001 0.000 0.295 296 T C 0.077 174.843 174.700 0.109 0.000 1.033 296 T CA -0.068 62.154 62.100 0.203 0.000 1.084 296 T CB 1.626 70.632 68.868 0.230 0.000 0.979 296 T HN 0.689 nan 8.240 nan 0.000 0.532 297 A N 2.778 125.661 122.820 0.105 0.000 2.567 297 A HA 0.698 5.018 4.320 0.001 0.000 0.291 297 A C -3.192 174.418 177.584 0.043 0.000 1.048 297 A CA -1.651 50.413 52.037 0.045 0.000 0.661 297 A CB 0.255 19.272 19.000 0.029 0.000 1.288 297 A HN 0.658 nan 8.150 nan 0.000 0.424 298 P HA 0.203 nan 4.420 nan 0.000 0.267 298 P C -0.222 177.112 177.300 0.057 0.000 1.200 298 P CA 0.505 63.631 63.100 0.044 0.000 0.772 298 P CB 0.127 31.843 31.700 0.027 0.000 0.855 299 H N 4.801 123.874 119.070 0.005 0.000 3.134 299 H HA -0.061 4.495 4.556 0.001 0.000 0.326 299 H C -1.167 174.163 175.328 0.004 0.000 1.017 299 H CA -0.173 55.876 56.048 0.001 0.000 1.359 299 H CB 0.312 30.075 29.762 0.001 0.000 1.300 299 H HN 0.342 nan 8.280 nan 0.000 0.596 300 P HA 0.126 nan 4.420 nan 0.000 0.257 300 P C -0.321 176.699 177.300 -0.467 0.000 1.281 300 P CA 0.292 62.825 63.100 -0.945 0.000 0.826 300 P CB 0.104 31.495 31.700 -0.515 0.000 1.237 301 A N 0.451 123.147 122.820 -0.208 0.000 2.292 301 A HA 0.238 4.559 4.320 0.001 0.000 0.265 301 A C -0.200 177.377 177.584 -0.011 0.000 1.133 301 A CA -0.470 51.528 52.037 -0.065 0.000 0.807 301 A CB -0.608 18.388 19.000 -0.006 0.000 1.102 301 A HN 0.142 nan 8.150 nan 0.000 0.502 302 F N 1.857 121.755 119.950 -0.087 0.000 2.571 302 F HA 0.302 4.830 4.527 0.002 0.000 0.384 302 F C -1.748 174.029 175.800 -0.039 0.000 1.058 302 F CA -1.857 56.088 58.000 -0.093 0.000 1.200 302 F CB 0.480 39.393 39.000 -0.146 0.000 1.077 302 F HN 0.240 nan 8.300 nan 0.000 0.558 303 P HA -0.004 nan 4.420 nan 0.000 0.276 303 P C 0.420 177.717 177.300 -0.004 0.000 1.230 303 P CA -0.069 62.938 63.100 -0.156 0.000 0.776 303 P CB 1.419 32.990 31.700 -0.215 0.000 0.888 304 T N 1.178 115.818 114.554 0.143 0.000 2.849 304 T HA -0.150 4.200 4.350 0.001 0.000 0.270 304 T C 0.915 175.720 174.700 0.176 0.000 1.066 304 T CA 1.712 63.947 62.100 0.224 0.000 1.130 304 T CB -0.628 68.402 68.868 0.271 0.000 0.864 304 T HN 0.286 nan 8.240 nan 0.000 0.481 305 D N 0.240 120.694 120.400 0.091 0.000 2.347 305 D HA 0.084 4.725 4.640 0.001 0.000 0.215 305 D C 1.440 177.773 176.300 0.055 0.000 0.976 305 D CA 0.451 54.484 54.000 0.056 0.000 0.884 305 D CB 0.014 40.831 40.800 0.027 0.000 0.915 305 D HN 0.395 nan 8.370 nan 0.000 0.526 306 M N 0.146 119.768 119.600 0.037 0.000 2.428 306 M HA 0.061 4.541 4.480 0.001 0.000 0.239 306 M C 1.673 178.242 176.300 0.448 0.000 1.121 306 M CA 0.234 55.627 55.300 0.154 0.000 1.019 306 M CB 0.178 32.700 32.600 -0.130 0.000 1.485 306 M HN 0.004 nan 8.290 nan 0.000 0.484 307 Q N 0.904 120.938 119.800 0.390 0.000 2.083 307 Q HA -0.058 4.283 4.340 0.001 0.000 0.198 307 Q C 1.760 177.933 176.000 0.288 0.000 0.969 307 Q CA 1.884 57.960 55.803 0.454 0.000 0.838 307 Q CB 0.084 29.056 28.738 0.390 0.000 0.900 307 Q HN 0.439 nan 8.270 nan 0.000 0.436 308 A N 0.615 123.445 122.820 0.015 0.000 1.930 308 A HA -0.223 4.098 4.320 0.001 0.000 0.217 308 A C 2.032 179.555 177.584 -0.102 0.000 1.175 308 A CA 1.566 53.335 52.037 -0.446 0.000 0.627 308 A CB -0.454 18.109 19.000 -0.728 0.000 0.815 308 A HN 0.460 nan 8.150 nan 0.000 0.443 309 Q N -1.129 118.694 119.800 0.039 0.000 2.030 309 Q HA -0.123 4.218 4.340 0.001 0.000 0.204 309 Q C 1.692 177.720 176.000 0.046 0.000 0.986 309 Q CA 1.969 57.799 55.803 0.046 0.000 0.843 309 Q CB -0.431 28.362 28.738 0.091 0.000 0.904 309 Q HN 0.696 nan 8.270 nan 0.000 0.420 310 F N -0.023 120.010 119.950 0.138 0.000 2.325 310 F HA -0.114 4.413 4.527 0.001 0.000 0.299 310 F C 2.259 178.104 175.800 0.075 0.000 1.090 310 F CA 1.141 59.224 58.000 0.137 0.000 1.392 310 F CB -0.333 38.803 39.000 0.227 0.000 1.053 310 F HN 0.031 nan 8.300 nan 0.000 0.521 311 T N 0.634 115.341 114.554 0.255 0.000 2.684 311 T HA -0.240 4.111 4.350 0.001 0.000 0.267 311 T C 2.004 176.765 174.700 0.101 0.000 1.036 311 T CA 1.626 63.835 62.100 0.182 0.000 1.148 311 T CB -0.587 68.486 68.868 0.341 0.000 0.863 311 T HN 0.185 nan 8.240 nan 0.000 0.436 312 L N 0.819 122.093 121.223 0.085 0.000 2.093 312 L HA 0.171 4.512 4.340 0.001 0.000 0.208 312 L C 2.168 179.029 176.870 -0.015 0.000 1.085 312 L CA 1.280 56.139 54.840 0.032 0.000 0.755 312 L CB -0.650 41.416 42.059 0.011 0.000 0.904 312 L HN 0.240 nan 8.230 nan 0.000 0.435 313 L N -0.325 120.865 121.223 -0.055 0.000 2.012 313 L HA -0.263 4.078 4.340 0.001 0.000 0.210 313 L C 2.267 179.115 176.870 -0.037 0.000 1.073 313 L CA 1.801 56.582 54.840 -0.097 0.000 0.748 313 L CB -0.541 41.374 42.059 -0.240 0.000 0.891 313 L HN 0.373 nan 8.230 nan 0.000 0.431 314 N N -0.055 118.642 118.700 -0.005 0.000 2.120 314 N HA -0.174 4.567 4.740 0.001 0.000 0.188 314 N C 1.790 177.276 175.510 -0.041 0.000 1.024 314 N CA 1.542 54.578 53.050 -0.023 0.000 0.852 314 N CB -0.408 38.056 38.487 -0.038 0.000 1.003 314 N HN 0.354 nan 8.380 nan 0.000 0.424 315 L N 0.350 121.557 121.223 -0.028 0.000 2.362 315 L HA -0.031 4.310 4.340 0.001 0.000 0.219 315 L C 1.483 178.351 176.870 -0.003 0.000 1.134 315 L CA 0.447 55.276 54.840 -0.020 0.000 0.807 315 L CB -0.076 41.982 42.059 -0.002 0.000 0.927 315 L HN 0.085 nan 8.230 nan 0.000 0.447 316 V N -4.535 115.374 119.914 -0.008 0.000 3.483 316 V HA 0.469 4.590 4.120 0.001 0.000 0.301 316 V C 0.992 177.083 176.094 -0.005 0.000 1.389 316 V CA -0.159 62.139 62.300 -0.003 0.000 1.101 316 V CB -0.569 31.250 31.823 -0.007 0.000 0.971 316 V HN 0.126 nan 8.190 nan 0.000 0.434 317 A N 0.632 123.445 122.820 -0.011 0.000 2.259 317 A HA 0.579 4.899 4.320 0.001 0.000 0.278 317 A C 0.314 177.897 177.584 -0.002 0.000 1.107 317 A CA -0.515 51.518 52.037 -0.007 0.000 0.828 317 A CB 0.206 19.201 19.000 -0.009 0.000 1.111 317 A HN 0.445 nan 8.150 nan 0.000 0.498 318 E N 0.496 120.699 120.200 0.005 0.000 2.070 318 E HA 0.438 4.789 4.350 0.001 0.000 0.282 318 E C 0.624 177.227 176.600 0.004 0.000 1.104 318 E CA 0.998 57.404 56.400 0.009 0.000 0.876 318 E CB 0.211 29.921 29.700 0.016 0.000 1.055 318 E HN 1.271 nan 8.360 nan 0.000 0.401 319 G N 3.233 112.034 108.800 0.001 0.000 2.500 319 G HA2 -0.193 3.768 3.960 0.001 0.000 0.209 319 G HA3 -0.193 3.768 3.960 0.001 0.000 0.209 319 G C -0.516 174.348 174.900 -0.060 0.000 1.283 319 G CA -0.693 44.402 45.100 -0.008 0.000 0.960 319 G HN 0.405 nan 8.290 nan 0.000 0.528 320 T N 0.661 115.155 114.554 -0.100 0.000 2.794 320 T HA 0.721 5.072 4.350 0.001 0.000 0.280 320 T C 0.549 175.080 174.700 -0.280 0.000 0.987 320 T CA 0.448 62.377 62.100 -0.285 0.000 0.993 320 T CB 1.618 70.284 68.868 -0.338 0.000 0.939 320 T HN 1.676 nan 8.240 nan 0.000 0.449 321 G N 1.201 109.763 108.800 -0.397 0.000 2.569 321 G HA2 0.727 4.688 3.960 0.001 0.000 0.300 321 G HA3 0.727 4.688 3.960 0.001 0.000 0.300 321 G C -1.635 172.969 174.900 -0.493 0.000 1.269 321 G CA -0.733 44.213 45.100 -0.256 0.000 0.959 321 G HN 0.538 nan 8.290 nan 0.000 0.478 322 F N 0.563 120.442 119.950 -0.119 0.000 2.467 322 F HA 0.513 5.041 4.527 0.001 0.000 0.336 322 F C -0.007 175.728 175.800 -0.109 0.000 1.123 322 F CA -0.975 56.951 58.000 -0.123 0.000 0.964 322 F CB 2.220 41.158 39.000 -0.103 0.000 1.136 322 F HN 0.009 nan 8.300 nan 0.000 0.447 323 I N 3.263 123.850 120.570 0.029 0.000 2.390 323 I HA 0.263 4.434 4.170 0.001 0.000 0.283 323 I C -0.359 175.822 176.117 0.106 0.000 1.016 323 I CA -0.242 61.073 61.300 0.026 0.000 1.151 323 I CB 1.236 39.256 38.000 0.033 0.000 1.293 323 I HN 0.502 nan 8.210 nan 0.000 0.458 324 T N 5.000 119.625 114.554 0.119 0.000 2.771 324 T HA 0.337 4.688 4.350 0.001 0.000 0.281 324 T C -0.075 174.751 174.700 0.210 0.000 0.982 324 T CA -0.474 61.737 62.100 0.185 0.000 0.978 324 T CB 1.858 70.782 68.868 0.095 0.000 0.930 324 T HN 0.415 nan 8.240 nan 0.000 0.447 325 E N 1.759 122.136 120.200 0.295 0.000 2.129 325 E HA 0.422 4.773 4.350 0.001 0.000 0.268 325 E C 0.706 177.340 176.600 0.058 0.000 0.900 325 E CA -0.679 55.812 56.400 0.151 0.000 0.755 325 E CB 0.874 30.550 29.700 -0.039 0.000 1.117 325 E HN 0.644 nan 8.360 nan 0.000 0.410 326 T N 0.215 114.789 114.554 0.033 0.000 3.003 326 T HA 0.159 4.510 4.350 0.001 0.000 0.261 326 T C 0.991 175.652 174.700 -0.066 0.000 1.003 326 T CA 0.467 62.564 62.100 -0.005 0.000 0.917 326 T CB 0.156 69.026 68.868 0.003 0.000 1.084 326 T HN 0.176 nan 8.240 nan 0.000 0.522 327 V N -0.409 119.449 119.914 -0.093 0.000 2.690 327 V HA 0.444 4.564 4.120 0.001 0.000 0.240 327 V C 0.186 175.979 176.094 -0.501 0.000 1.078 327 V CA 0.261 62.396 62.300 -0.276 0.000 1.102 327 V CB -0.210 31.463 31.823 -0.250 0.000 0.800 327 V HN 0.372 nan 8.190 nan 0.000 0.479 328 F N 1.329 121.243 119.950 -0.059 0.000 2.480 328 F HA 0.395 4.923 4.527 0.001 0.000 0.329 328 F C 1.475 177.195 175.800 -0.134 0.000 1.091 328 F CA -1.096 56.854 58.000 -0.084 0.000 0.972 328 F CB 1.296 40.246 39.000 -0.083 0.000 1.150 328 F HN 0.060 nan 8.300 nan 0.000 0.467 329 E N 0.512 120.767 120.200 0.091 0.000 2.216 329 E HA -0.134 4.216 4.350 0.001 0.000 0.192 329 E C 0.029 176.601 176.600 -0.046 0.000 0.988 329 E CA 1.030 57.431 56.400 0.002 0.000 0.834 329 E CB -0.130 29.583 29.700 0.022 0.000 0.772 329 E HN 0.557 nan 8.360 nan 0.000 0.479 330 N N 0.307 118.986 118.700 -0.036 0.000 2.679 330 N HA 0.143 4.884 4.740 0.001 0.000 0.302 330 N C -0.520 174.924 175.510 -0.111 0.000 1.941 330 N CA -0.217 52.792 53.050 -0.069 0.000 0.875 330 N CB 0.467 38.944 38.487 -0.017 0.000 1.278 330 N HN -0.050 nan 8.380 nan 0.000 0.490 331 R N 0.396 120.739 120.500 -0.262 0.000 2.694 331 R HA 0.250 4.591 4.340 0.001 0.000 0.334 331 R C -0.480 175.801 176.300 -0.032 0.000 1.143 331 R CA 0.043 56.043 56.100 -0.167 0.000 1.073 331 R CB -0.027 30.200 30.300 -0.122 0.000 1.366 331 R HN 0.172 nan 8.270 nan 0.000 0.577 332 F N -0.442 119.549 119.950 0.069 0.000 2.735 332 F HA 0.249 4.776 4.527 0.001 0.000 0.304 332 F C 1.207 176.845 175.800 -0.270 0.000 1.119 332 F CA -0.366 57.552 58.000 -0.138 0.000 1.280 332 F CB 0.237 39.169 39.000 -0.114 0.000 0.994 332 F HN 0.021 nan 8.300 nan 0.000 0.520 333 M N -0.732 118.923 119.600 0.092 0.000 2.374 333 M HA -0.162 4.319 4.480 0.001 0.000 0.264 333 M C 2.084 178.406 176.300 0.036 0.000 1.067 333 M CA 1.464 56.791 55.300 0.045 0.000 1.103 333 M CB -0.618 32.005 32.600 0.039 0.000 1.402 333 M HN 0.387 nan 8.290 nan 0.000 0.444 334 H N -1.832 117.269 119.070 0.053 0.000 2.421 334 H HA -0.050 4.507 4.556 0.002 0.000 0.298 334 H C 1.864 177.215 175.328 0.037 0.000 1.087 334 H CA 1.095 57.163 56.048 0.034 0.000 1.330 334 H CB -0.795 28.994 29.762 0.045 0.000 1.388 334 H HN 0.134 nan 8.280 nan 0.000 0.526 335 V N 1.640 121.374 119.914 -0.300 0.000 2.307 335 V HA -0.134 3.987 4.120 0.001 0.000 0.245 335 V C -0.395 175.655 176.094 -0.074 0.000 1.045 335 V CA 1.709 63.888 62.300 -0.202 0.000 1.024 335 V CB -1.133 30.514 31.823 -0.293 0.000 0.651 335 V HN 0.433 nan 8.190 nan 0.000 0.449 336 P HA -0.103 nan 4.420 nan 0.000 0.220 336 P C 1.459 178.757 177.300 -0.003 0.000 1.148 336 P CA 1.133 64.221 63.100 -0.019 0.000 0.803 336 P CB 0.010 31.704 31.700 -0.010 0.000 0.782 337 E N -0.488 119.716 120.200 0.006 0.000 2.112 337 E HA 0.003 4.353 4.350 0.001 0.000 0.190 337 E C 2.146 178.760 176.600 0.023 0.000 0.979 337 E CA 0.708 57.120 56.400 0.019 0.000 0.814 337 E CB -0.829 28.889 29.700 0.031 0.000 0.762 337 E HN 0.316 nan 8.360 nan 0.000 0.460 338 L N 0.995 122.235 121.223 0.029 0.000 2.131 338 L HA -0.135 4.206 4.340 0.001 0.000 0.210 338 L C 2.487 179.369 176.870 0.020 0.000 1.092 338 L CA 0.761 55.619 54.840 0.031 0.000 0.759 338 L CB -0.340 41.747 42.059 0.046 0.000 0.903 338 L HN 0.029 nan 8.230 nan 0.000 0.435 339 S N -0.137 115.569 115.700 0.012 0.000 2.370 339 S HA -0.199 4.272 4.470 0.001 0.000 0.226 339 S C 1.980 176.584 174.600 0.008 0.000 1.033 339 S CA 1.304 59.511 58.200 0.011 0.000 1.011 339 S CB -0.227 62.975 63.200 0.004 0.000 0.852 339 S HN 0.396 nan 8.310 nan 0.000 0.457 340 R N 0.490 120.994 120.500 0.007 0.000 2.159 340 R HA 0.035 4.376 4.340 0.001 0.000 0.237 340 R C 1.763 178.068 176.300 0.007 0.000 1.131 340 R CA 1.146 57.250 56.100 0.006 0.000 0.982 340 R CB -0.313 29.992 30.300 0.009 0.000 0.868 340 R HN 0.443 nan 8.270 nan 0.000 0.453 341 M N -0.817 118.790 119.600 0.011 0.000 2.561 341 M HA 0.162 4.643 4.480 0.001 0.000 0.238 341 M C 0.689 176.995 176.300 0.010 0.000 1.131 341 M CA 0.555 55.861 55.300 0.011 0.000 1.046 341 M CB 1.156 33.765 32.600 0.015 0.000 1.532 341 M HN 0.418 nan 8.290 nan 0.000 0.497 342 G N 0.526 109.332 108.800 0.009 0.000 2.148 342 G HA2 -0.119 3.842 3.960 0.001 0.000 0.203 342 G HA3 -0.119 3.842 3.960 0.001 0.000 0.203 342 G C 0.078 174.992 174.900 0.023 0.000 0.993 342 G CA -0.175 44.929 45.100 0.007 0.000 0.661 342 G HN 0.637 nan 8.290 nan 0.000 0.518 343 A N 0.271 123.111 122.820 0.033 0.000 2.425 343 A HA 0.605 4.926 4.320 0.001 0.000 0.249 343 A C 0.108 177.756 177.584 0.107 0.000 1.084 343 A CA 0.379 52.450 52.037 0.057 0.000 0.781 343 A CB 0.232 19.255 19.000 0.038 0.000 1.019 343 A HN 0.902 nan 8.150 nan 0.000 0.490 344 H N 1.193 120.270 119.070 0.011 0.000 2.661 344 H HA 0.571 5.127 4.556 0.001 0.000 0.290 344 H C -0.258 175.115 175.328 0.075 0.000 1.082 344 H CA -0.165 55.901 56.048 0.031 0.000 1.234 344 H CB 0.371 30.149 29.762 0.027 0.000 1.387 344 H HN 0.841 nan 8.280 nan 0.000 0.476 345 A N 4.639 127.565 122.820 0.177 0.000 2.469 345 A HA 0.489 4.809 4.320 0.001 0.000 0.299 345 A C -1.002 176.602 177.584 0.032 0.000 1.098 345 A CA -0.795 51.250 52.037 0.013 0.000 0.737 345 A CB 2.118 21.077 19.000 -0.069 0.000 1.312 345 A HN 0.752 nan 8.150 nan 0.000 0.414 346 E N 0.773 120.942 120.200 -0.051 0.000 2.272 346 E HA 0.470 4.820 4.350 0.001 0.000 0.269 346 E C -1.527 175.013 176.600 -0.101 0.000 0.877 346 E CA -0.403 55.978 56.400 -0.032 0.000 0.755 346 E CB 2.047 31.759 29.700 0.019 0.000 1.192 346 E HN 0.572 nan 8.360 nan 0.000 0.422 347 I N 2.693 123.217 120.570 -0.077 0.000 2.328 347 I HA 0.193 4.364 4.170 0.001 0.000 0.287 347 I C -0.308 175.796 176.117 -0.022 0.000 1.012 347 I CA -0.441 60.800 61.300 -0.099 0.000 1.195 347 I CB 1.167 39.123 38.000 -0.073 0.000 1.350 347 I HN 0.248 nan 8.210 nan 0.000 0.464 348 E N 5.119 125.313 120.200 -0.011 0.000 2.102 348 E HA 0.451 4.802 4.350 0.001 0.000 0.263 348 E C -0.060 176.582 176.600 0.070 0.000 0.894 348 E CA 0.117 56.538 56.400 0.036 0.000 0.746 348 E CB 1.013 30.739 29.700 0.044 0.000 1.129 348 E HN 0.694 nan 8.360 nan 0.000 0.416 349 S N 3.127 118.880 115.700 0.089 0.000 4.059 349 S HA -0.363 4.107 4.470 0.001 0.000 0.624 349 S C 0.580 175.315 174.600 0.226 0.000 2.019 349 S CA 1.523 59.796 58.200 0.121 0.000 4.197 349 S CB -1.169 62.086 63.200 0.092 0.000 0.215 349 S HN 0.753 nan 8.310 nan 0.000 0.609 350 N N 2.093 120.941 118.700 0.246 0.000 2.389 350 N HA 0.364 5.105 4.740 0.001 0.000 0.237 350 N C -0.690 175.109 175.510 0.483 0.000 1.148 350 N CA 0.137 53.456 53.050 0.449 0.000 0.854 350 N CB 0.225 38.841 38.487 0.216 0.000 1.115 350 N HN 0.479 nan 8.380 nan 0.000 0.492 351 T N -0.285 114.404 114.554 0.225 0.000 2.881 351 T HA 0.387 4.738 4.350 0.001 0.000 0.290 351 T C -0.945 173.622 174.700 -0.222 0.000 1.000 351 T CA -0.802 61.325 62.100 0.046 0.000 0.978 351 T CB 2.253 71.184 68.868 0.105 0.000 0.997 351 T HN 0.036 nan 8.240 nan 0.000 0.443 352 V N 4.572 124.225 119.914 -0.435 0.000 2.398 352 V HA 0.658 4.778 4.120 0.001 0.000 0.286 352 V C -1.066 174.828 176.094 -0.333 0.000 1.026 352 V CA -0.871 61.151 62.300 -0.463 0.000 0.868 352 V CB 0.560 31.960 31.823 -0.705 0.000 0.982 352 V HN 0.753 nan 8.190 nan 0.000 0.443 353 I N 7.175 127.542 120.570 -0.338 0.000 2.325 353 I HA 0.421 4.592 4.170 0.001 0.000 0.291 353 I C -0.003 175.743 176.117 -0.618 0.000 1.019 353 I CA 0.283 61.237 61.300 -0.577 0.000 1.302 353 I CB 0.838 38.569 38.000 -0.450 0.000 1.401 353 I HN 0.585 nan 8.210 nan 0.000 0.485 354 C N 5.779 124.638 119.300 -0.735 0.000 2.301 354 C HA 0.392 4.853 4.460 0.001 0.000 0.323 354 C C -0.119 174.500 174.990 -0.619 0.000 1.265 354 C CA -0.812 57.902 59.018 -0.506 0.000 1.503 354 C CB -0.186 27.374 27.740 -0.300 0.000 2.195 354 C HN 0.605 nan 8.230 nan 0.000 0.477 355 H N 1.801 120.677 119.070 -0.323 0.000 2.741 355 H HA 0.268 4.825 4.556 0.001 0.000 0.282 355 H C 0.791 176.052 175.328 -0.112 0.000 1.122 355 H CA 0.033 55.922 56.048 -0.265 0.000 1.293 355 H CB 1.007 30.500 29.762 -0.449 0.000 1.415 355 H HN 0.931 nan 8.280 nan 0.000 0.472 356 G N 2.567 111.356 108.800 -0.018 0.000 2.265 356 G HA2 0.221 4.182 3.960 0.001 0.000 0.240 356 G HA3 0.221 4.182 3.960 0.001 0.000 0.240 356 G C 0.552 175.477 174.900 0.042 0.000 1.270 356 G CA -0.227 44.875 45.100 0.005 0.000 0.901 356 G HN 0.490 nan 8.290 nan 0.000 0.507 357 V N 0.357 120.295 119.914 0.040 0.000 2.881 357 V HA 0.541 4.662 4.120 0.001 0.000 0.316 357 V C 1.068 177.175 176.094 0.023 0.000 1.070 357 V CA -0.637 61.688 62.300 0.040 0.000 0.976 357 V CB 2.017 33.869 31.823 0.048 0.000 1.038 357 V HN 0.837 nan 8.190 nan 0.000 0.446 358 E N 1.468 121.680 120.200 0.019 0.000 2.047 358 E HA -0.027 4.324 4.350 0.001 0.000 0.191 358 E C 0.246 176.852 176.600 0.010 0.000 0.987 358 E CA 1.193 57.601 56.400 0.013 0.000 0.799 358 E CB 0.244 29.951 29.700 0.011 0.000 0.752 358 E HN 0.757 nan 8.360 nan 0.000 0.449 359 K N 0.146 120.552 120.400 0.009 0.000 2.469 359 K HA 0.401 4.722 4.320 0.001 0.000 0.254 359 K C -0.890 175.715 176.600 0.008 0.000 0.939 359 K CA -0.586 55.705 56.287 0.007 0.000 0.812 359 K CB 2.246 34.749 32.500 0.005 0.000 1.301 359 K HN -0.030 nan 8.250 nan 0.000 0.433 360 L N 0.871 122.099 121.223 0.007 0.000 2.439 360 L HA 0.393 4.734 4.340 0.001 0.000 0.259 360 L C 0.111 176.984 176.870 0.006 0.000 1.129 360 L CA -0.612 54.233 54.840 0.008 0.000 0.803 360 L CB 1.468 43.533 42.059 0.010 0.000 1.161 360 L HN 0.548 nan 8.230 nan 0.000 0.462 361 S N -0.320 115.384 115.700 0.006 0.000 2.472 361 S HA 0.496 4.967 4.470 0.001 0.000 0.303 361 S C 0.170 174.774 174.600 0.007 0.000 1.099 361 S CA -0.659 57.544 58.200 0.005 0.000 1.077 361 S CB 1.758 64.960 63.200 0.003 0.000 1.031 361 S HN 0.768 nan 8.310 nan 0.000 0.487 362 G N 1.297 110.102 108.800 0.008 0.000 2.491 362 G HA2 0.507 4.468 3.960 0.001 0.000 0.238 362 G HA3 0.507 4.468 3.960 0.001 0.000 0.238 362 G C -0.300 174.607 174.900 0.012 0.000 1.277 362 G CA 0.130 45.236 45.100 0.011 0.000 0.851 362 G HN 0.987 nan 8.290 nan 0.000 0.573 363 A N 1.696 124.525 122.820 0.015 0.000 2.601 363 A HA 0.644 4.965 4.320 0.001 0.000 0.291 363 A C -0.591 177.004 177.584 0.019 0.000 1.075 363 A CA -0.788 51.258 52.037 0.015 0.000 0.671 363 A CB 0.942 19.949 19.000 0.012 0.000 1.277 363 A HN 0.675 nan 8.150 nan 0.000 0.417 364 Q N 0.360 120.171 119.800 0.018 0.000 2.288 364 Q HA 0.494 4.835 4.340 0.001 0.000 0.258 364 Q C 0.011 176.023 176.000 0.020 0.000 0.957 364 Q CA -0.363 55.453 55.803 0.021 0.000 0.919 364 Q CB 1.397 30.147 28.738 0.020 0.000 1.185 364 Q HN 1.038 nan 8.270 nan 0.000 0.408 365 V N -0.153 119.774 119.914 0.022 0.000 3.141 365 V HA 0.764 4.884 4.120 0.001 0.000 0.312 365 V C -1.069 175.036 176.094 0.018 0.000 1.157 365 V CA -1.356 60.956 62.300 0.020 0.000 1.041 365 V CB 2.214 34.049 31.823 0.020 0.000 1.071 365 V HN 0.776 nan 8.190 nan 0.000 0.441 366 M N 2.755 122.365 119.600 0.017 0.000 2.085 366 M HA 0.849 5.329 4.480 0.001 0.000 0.309 366 M C -0.162 176.140 176.300 0.003 0.000 0.947 366 M CA -0.179 55.132 55.300 0.018 0.000 0.918 366 M CB 0.972 33.589 32.600 0.027 0.000 1.504 366 M HN 1.345 nan 8.290 nan 0.000 0.420 367 A N 2.904 125.719 122.820 -0.010 0.000 2.462 367 A HA 0.505 4.826 4.320 0.001 0.000 0.243 367 A C 0.815 178.328 177.584 -0.118 0.000 1.076 367 A CA 0.311 52.313 52.037 -0.057 0.000 0.773 367 A CB -0.114 18.848 19.000 -0.062 0.000 1.010 367 A HN 0.977 nan 8.150 nan 0.000 0.493 368 T N -1.518 112.868 114.554 -0.280 0.000 2.964 368 T HA 0.262 4.613 4.350 0.001 0.000 0.249 368 T C 0.167 174.407 174.700 -0.765 0.000 1.000 368 T CA 0.592 62.477 62.100 -0.358 0.000 0.992 368 T CB -0.085 68.692 68.868 -0.151 0.000 1.087 368 T HN 0.833 nan 8.240 nan 0.000 0.489 369 D N -0.043 119.894 120.400 -0.771 0.000 2.692 369 D HA 0.197 4.837 4.640 0.001 0.000 0.303 369 D C 0.716 176.792 176.300 -0.374 0.000 1.278 369 D CA -0.734 52.885 54.000 -0.636 0.000 0.852 369 D CB 1.572 42.185 40.800 -0.311 0.000 1.375 369 D HN -0.018 nan 8.370 nan 0.000 0.453 370 L N 0.638 121.761 121.223 -0.166 0.000 1.976 370 L HA -0.052 4.289 4.340 0.001 0.000 0.209 370 L C 2.138 179.018 176.870 0.016 0.000 1.071 370 L CA 1.816 56.647 54.840 -0.014 0.000 0.746 370 L CB -0.634 41.445 42.059 0.033 0.000 0.890 370 L HN 0.325 nan 8.230 nan 0.000 0.432 371 R N 0.197 120.689 120.500 -0.012 0.000 2.148 371 R HA 0.119 4.460 4.340 0.001 0.000 0.223 371 R C 2.211 178.462 176.300 -0.081 0.000 1.088 371 R CA 1.080 57.185 56.100 0.009 0.000 0.985 371 R CB -1.414 28.884 30.300 -0.003 0.000 0.880 371 R HN 0.553 nan 8.270 nan 0.000 0.451 372 A N 1.492 124.240 122.820 -0.120 0.000 1.883 372 A HA -0.214 4.107 4.320 0.001 0.000 0.217 372 A C 2.380 179.909 177.584 -0.092 0.000 1.186 372 A CA 2.205 54.176 52.037 -0.110 0.000 0.624 372 A CB -0.672 18.295 19.000 -0.055 0.000 0.822 372 A HN 0.455 nan 8.150 nan 0.000 0.444 373 S N 0.321 115.953 115.700 -0.113 0.000 2.370 373 S HA -0.050 4.421 4.470 0.001 0.000 0.226 373 S C 2.116 176.644 174.600 -0.120 0.000 1.033 373 S CA 1.646 59.780 58.200 -0.110 0.000 1.011 373 S CB -0.781 62.352 63.200 -0.113 0.000 0.852 373 S HN 0.987 nan 8.310 nan 0.000 0.457 374 A N 1.703 124.422 122.820 -0.169 0.000 1.898 374 A HA 0.043 4.363 4.320 0.001 0.000 0.216 374 A C 2.469 179.945 177.584 -0.181 0.000 1.181 374 A CA 1.771 53.641 52.037 -0.279 0.000 0.620 374 A CB -1.213 17.458 19.000 -0.548 0.000 0.819 374 A HN 0.609 nan 8.150 nan 0.000 0.442 375 S N 0.294 115.917 115.700 -0.128 0.000 2.370 375 S HA -0.129 4.342 4.470 0.001 0.000 0.226 375 S C 1.771 176.342 174.600 -0.048 0.000 1.033 375 S CA 1.545 59.692 58.200 -0.088 0.000 1.011 375 S CB -0.503 62.645 63.200 -0.086 0.000 0.852 375 S HN 0.516 nan 8.310 nan 0.000 0.457 376 L N 0.961 122.164 121.223 -0.033 0.000 2.141 376 L HA -0.046 4.295 4.340 0.001 0.000 0.209 376 L C 2.294 179.166 176.870 0.003 0.000 1.094 376 L CA 0.687 55.525 54.840 -0.004 0.000 0.763 376 L CB -0.606 41.454 42.059 0.002 0.000 0.908 376 L HN 0.206 nan 8.230 nan 0.000 0.437 377 V N -0.469 119.442 119.914 -0.004 0.000 2.379 377 V HA -0.237 3.884 4.120 0.001 0.000 0.245 377 V C 2.394 178.485 176.094 -0.004 0.000 1.044 377 V CA 1.091 63.416 62.300 0.042 0.000 1.036 377 V CB -0.234 31.655 31.823 0.111 0.000 0.664 377 V HN 0.224 nan 8.190 nan 0.000 0.453 378 L N 0.609 121.802 121.223 -0.050 0.000 2.042 378 L HA -0.164 4.176 4.340 0.001 0.000 0.210 378 L C 2.605 179.458 176.870 -0.028 0.000 1.076 378 L CA 2.401 57.208 54.840 -0.055 0.000 0.749 378 L CB -1.296 40.710 42.059 -0.089 0.000 0.893 378 L HN 0.308 nan 8.230 nan 0.000 0.432 379 A N -0.825 121.985 122.820 -0.017 0.000 1.902 379 A HA -0.089 4.232 4.320 0.001 0.000 0.217 379 A C 2.429 180.015 177.584 0.003 0.000 1.181 379 A CA 1.577 53.612 52.037 -0.004 0.000 0.623 379 A CB -1.351 17.654 19.000 0.008 0.000 0.818 379 A HN 0.449 nan 8.150 nan 0.000 0.443 380 G N -0.676 108.130 108.800 0.010 0.000 2.469 380 G HA2 -0.318 3.643 3.960 0.001 0.000 0.219 380 G HA3 -0.318 3.643 3.960 0.001 0.000 0.219 380 G C 1.595 176.499 174.900 0.006 0.000 1.150 380 G CA 1.345 46.454 45.100 0.016 0.000 0.763 380 G HN 0.521 nan 8.290 nan 0.000 0.561 381 C N 0.756 120.055 119.300 -0.001 0.000 2.401 381 C HA -0.071 4.390 4.460 0.001 0.000 0.276 381 C C 2.720 177.707 174.990 -0.006 0.000 1.233 381 C CA 1.118 60.131 59.018 -0.007 0.000 1.753 381 C CB -1.018 26.715 27.740 -0.011 0.000 2.029 381 C HN 0.668 nan 8.230 nan 0.000 0.478 382 I N -0.960 119.606 120.570 -0.006 0.000 3.968 382 I HA 0.376 4.546 4.170 0.001 0.000 0.328 382 I C 1.034 177.150 176.117 -0.002 0.000 1.290 382 I CA -0.049 61.248 61.300 -0.005 0.000 1.163 382 I CB -0.449 37.546 38.000 -0.009 0.000 1.024 382 I HN 0.065 nan 8.210 nan 0.000 0.413 383 A N 1.977 124.798 122.820 0.001 0.000 2.386 383 A HA 0.293 4.614 4.320 0.001 0.000 0.248 383 A C 0.200 177.786 177.584 0.003 0.000 1.082 383 A CA -0.221 51.818 52.037 0.004 0.000 0.789 383 A CB 0.163 19.167 19.000 0.007 0.000 1.025 383 A HN 0.319 nan 8.150 nan 0.000 0.490 384 E N 0.743 120.945 120.200 0.003 0.000 2.259 384 E HA 0.443 4.794 4.350 0.001 0.000 0.281 384 E C 0.924 177.526 176.600 0.003 0.000 1.037 384 E CA 1.157 57.558 56.400 0.002 0.000 0.854 384 E CB 0.640 30.341 29.700 0.002 0.000 1.051 384 E HN 1.372 nan 8.360 nan 0.000 0.409 385 G N 3.472 112.274 108.800 0.003 0.000 2.542 385 G HA2 -0.237 3.724 3.960 0.001 0.000 0.235 385 G HA3 -0.237 3.724 3.960 0.001 0.000 0.235 385 G C -0.401 174.503 174.900 0.007 0.000 1.286 385 G CA -0.294 44.808 45.100 0.004 0.000 0.904 385 G HN 0.486 nan 8.290 nan 0.000 0.577 386 T N 1.499 116.059 114.554 0.009 0.000 2.767 386 T HA 0.623 4.973 4.350 0.001 0.000 0.288 386 T C 0.123 174.834 174.700 0.018 0.000 0.963 386 T CA 0.503 62.611 62.100 0.013 0.000 1.019 386 T CB 1.367 70.243 68.868 0.014 0.000 0.923 386 T HN 0.731 nan 8.240 nan 0.000 0.468 387 T N 2.963 117.531 114.554 0.024 0.000 2.823 387 T HA 0.538 4.889 4.350 0.001 0.000 0.279 387 T C -0.328 174.399 174.700 0.046 0.000 0.998 387 T CA -0.559 61.559 62.100 0.031 0.000 0.994 387 T CB 1.200 70.087 68.868 0.031 0.000 0.960 387 T HN 0.336 nan 8.240 nan 0.000 0.448 388 V N 3.776 123.717 119.914 0.045 0.000 2.378 388 V HA 0.413 4.534 4.120 0.001 0.000 0.288 388 V C -0.218 175.906 176.094 0.050 0.000 1.016 388 V CA -0.837 61.497 62.300 0.057 0.000 0.840 388 V CB 1.564 33.414 31.823 0.046 0.000 0.994 388 V HN 0.709 nan 8.190 nan 0.000 0.431 389 V N 3.706 123.657 119.914 0.062 0.000 2.350 389 V HA 0.387 4.508 4.120 0.001 0.000 0.276 389 V C -0.034 176.052 176.094 -0.013 0.000 1.028 389 V CA -0.343 61.971 62.300 0.023 0.000 0.860 389 V CB 1.447 33.283 31.823 0.021 0.000 0.990 389 V HN 0.862 nan 8.190 nan 0.000 0.453 390 D N 3.701 124.098 120.400 -0.005 0.000 2.388 390 D HA 0.393 5.034 4.640 0.001 0.000 0.254 390 D C 0.684 176.982 176.300 -0.004 0.000 1.111 390 D CA -0.418 53.583 54.000 0.000 0.000 0.993 390 D CB 0.747 41.562 40.800 0.026 0.000 1.118 390 D HN 0.510 nan 8.370 nan 0.000 0.502 391 R N 1.215 121.736 120.500 0.035 0.000 3.336 391 R HA -0.209 4.132 4.340 0.001 0.000 0.260 391 R C 0.743 176.968 176.300 -0.126 0.000 1.032 391 R CA 0.025 56.169 56.100 0.075 0.000 0.693 391 R CB -2.350 28.044 30.300 0.157 0.000 1.134 391 R HN 0.401 nan 8.270 nan 0.000 0.433 392 I N 0.945 121.417 120.570 -0.164 0.000 3.001 392 I HA -0.191 3.980 4.170 0.001 0.000 0.268 392 I C 2.287 178.248 176.117 -0.261 0.000 1.267 392 I CA 0.793 61.886 61.300 -0.344 0.000 1.472 392 I CB -0.287 37.290 38.000 -0.704 0.000 1.089 392 I HN 0.445 nan 8.210 nan 0.000 0.468 393 Y N -0.446 119.721 120.300 -0.222 0.000 2.181 393 Y HA -0.357 4.194 4.550 0.001 0.000 0.284 393 Y C 2.275 178.074 175.900 -0.167 0.000 1.179 393 Y CA 1.980 59.958 58.100 -0.203 0.000 1.179 393 Y CB -1.762 36.555 38.460 -0.239 0.000 0.973 393 Y HN 0.313 nan 8.280 nan 0.000 0.519 394 H N 0.025 118.668 119.070 -0.711 0.000 2.353 394 H HA -0.175 4.382 4.556 0.001 0.000 0.298 394 H C 2.266 177.495 175.328 -0.166 0.000 1.103 394 H CA 2.115 57.880 56.048 -0.472 0.000 1.293 394 H CB -0.233 29.226 29.762 -0.505 0.000 1.372 394 H HN 0.473 nan 8.280 nan 0.000 0.501 395 I N 0.564 121.119 120.570 -0.026 0.000 2.252 395 I HA -0.250 3.920 4.170 0.001 0.000 0.245 395 I C 1.317 177.525 176.117 0.151 0.000 1.102 395 I CA 1.353 62.688 61.300 0.060 0.000 1.385 395 I CB 0.022 37.988 38.000 -0.057 0.000 1.064 395 I HN 0.247 nan 8.210 nan 0.000 0.414 396 D N 0.474 120.925 120.400 0.084 0.000 2.311 396 D HA -0.181 4.460 4.640 0.001 0.000 0.212 396 D C 2.198 178.565 176.300 0.112 0.000 0.972 396 D CA 0.837 54.905 54.000 0.113 0.000 0.887 396 D CB -0.209 40.643 40.800 0.088 0.000 0.915 396 D HN 0.392 nan 8.370 nan 0.000 0.497 397 R N -0.434 120.128 120.500 0.103 0.000 2.090 397 R HA 0.023 4.364 4.340 0.001 0.000 0.228 397 R C 1.915 178.257 176.300 0.070 0.000 1.110 397 R CA 1.266 57.417 56.100 0.086 0.000 0.973 397 R CB 0.064 30.413 30.300 0.080 0.000 0.869 397 R HN 0.153 nan 8.270 nan 0.000 0.440 398 G N -1.832 107.019 108.800 0.085 0.000 3.342 398 G HA2 0.100 4.061 3.960 0.001 0.000 0.252 398 G HA3 0.100 4.061 3.960 0.001 0.000 0.252 398 G C -0.537 174.269 174.900 -0.157 0.000 1.011 398 G CA -0.217 44.861 45.100 -0.037 0.000 0.869 398 G HN 0.055 nan 8.290 nan 0.000 0.514 399 Y N 0.673 121.009 120.300 0.061 0.000 2.338 399 Y HA 0.437 4.988 4.550 0.001 0.000 0.333 399 Y C -0.099 175.863 175.900 0.105 0.000 0.968 399 Y CA -1.222 56.933 58.100 0.091 0.000 1.123 399 Y CB 1.802 40.320 38.460 0.097 0.000 1.165 399 Y HN -0.024 nan 8.280 nan 0.000 0.452 400 E N 4.310 124.650 120.200 0.234 0.000 2.180 400 E HA 0.239 4.589 4.350 0.001 0.000 0.283 400 E C -0.310 176.408 176.600 0.197 0.000 1.061 400 E CA -0.364 56.139 56.400 0.173 0.000 0.861 400 E CB 0.310 30.078 29.700 0.113 0.000 1.056 400 E HN 0.699 nan 8.360 nan 0.000 0.407 401 R N 3.472 124.075 120.500 0.172 0.000 3.251 401 R HA -0.223 4.118 4.340 0.001 0.000 0.249 401 R C 1.097 177.495 176.300 0.164 0.000 0.949 401 R CA 0.378 56.562 56.100 0.140 0.000 0.645 401 R CB -1.794 28.558 30.300 0.086 0.000 1.065 401 R HN 0.745 nan 8.270 nan 0.000 0.452 402 I N 1.068 121.772 120.570 0.224 0.000 2.394 402 I HA -0.278 3.893 4.170 0.001 0.000 0.251 402 I C 2.432 178.612 176.117 0.105 0.000 1.136 402 I CA 1.937 63.380 61.300 0.239 0.000 1.425 402 I CB -0.014 38.075 38.000 0.149 0.000 1.079 402 I HN 0.471 nan 8.210 nan 0.000 0.425 403 E N 0.204 120.393 120.200 -0.018 0.000 2.077 403 E HA -0.272 4.078 4.350 0.001 0.000 0.193 403 E C 1.411 177.947 176.600 -0.106 0.000 0.989 403 E CA 1.582 57.850 56.400 -0.220 0.000 0.800 403 E CB -0.467 28.987 29.700 -0.409 0.000 0.746 403 E HN 0.451 nan 8.360 nan 0.000 0.452 404 D N 1.583 121.960 120.400 -0.039 0.000 2.084 404 D HA -0.112 4.529 4.640 0.001 0.000 0.194 404 D C 1.878 178.159 176.300 -0.031 0.000 0.990 404 D CA 1.413 55.396 54.000 -0.029 0.000 0.826 404 D CB -0.123 40.673 40.800 -0.007 0.000 0.971 404 D HN 0.163 nan 8.370 nan 0.000 0.453 405 K N -0.083 120.313 120.400 -0.006 0.000 2.097 405 K HA -0.027 4.294 4.320 0.001 0.000 0.206 405 K C 2.182 178.754 176.600 -0.046 0.000 1.049 405 K CA 0.555 56.795 56.287 -0.078 0.000 0.933 405 K CB -0.074 32.360 32.500 -0.111 0.000 0.717 405 K HN 0.162 nan 8.250 nan 0.000 0.442 406 L N -0.010 121.262 121.223 0.082 0.000 2.131 406 L HA -0.078 4.263 4.340 0.001 0.000 0.206 406 L C 2.563 179.433 176.870 0.000 0.000 1.087 406 L CA 0.720 55.616 54.840 0.093 0.000 0.767 406 L CB -0.210 41.899 42.059 0.082 0.000 0.917 406 L HN 0.094 nan 8.230 nan 0.000 0.441 407 R N 0.486 120.964 120.500 -0.037 0.000 2.096 407 R HA -0.136 4.205 4.340 0.001 0.000 0.235 407 R C 2.091 178.364 176.300 -0.044 0.000 1.127 407 R CA 1.373 57.443 56.100 -0.051 0.000 0.968 407 R CB -0.191 30.071 30.300 -0.064 0.000 0.861 407 R HN 0.324 nan 8.270 nan 0.000 0.440 408 A N -0.180 122.609 122.820 -0.051 0.000 2.235 408 A HA 0.054 4.375 4.320 0.001 0.000 0.208 408 A C 1.562 179.112 177.584 -0.057 0.000 1.172 408 A CA 0.539 52.541 52.037 -0.058 0.000 0.786 408 A CB -0.076 18.879 19.000 -0.074 0.000 0.804 408 A HN 0.317 nan 8.150 nan 0.000 0.479 409 L N -1.938 119.260 121.223 -0.042 0.000 2.640 409 L HA 0.266 4.606 4.340 0.001 0.000 0.230 409 L C 1.520 178.378 176.870 -0.019 0.000 1.123 409 L CA 0.645 55.469 54.840 -0.026 0.000 0.900 409 L CB 0.230 42.293 42.059 0.007 0.000 1.146 409 L HN 0.538 nan 8.230 nan 0.000 0.484 410 G N 0.153 108.938 108.800 -0.024 0.000 2.179 410 G HA2 -0.211 3.750 3.960 0.001 0.000 0.220 410 G HA3 -0.211 3.750 3.960 0.001 0.000 0.220 410 G C 0.434 175.320 174.900 -0.023 0.000 0.990 410 G CA -0.085 45.000 45.100 -0.024 0.000 0.646 410 G HN 0.415 nan 8.290 nan 0.000 0.517 411 A N -0.191 122.615 122.820 -0.024 0.000 2.425 411 A HA 0.571 4.892 4.320 0.001 0.000 0.242 411 A C 0.413 177.970 177.584 -0.045 0.000 1.077 411 A CA 0.816 52.834 52.037 -0.031 0.000 0.781 411 A CB 0.200 19.180 19.000 -0.033 0.000 1.020 411 A HN 0.750 nan 8.150 nan 0.000 0.494 412 N N 0.993 119.667 118.700 -0.044 0.000 2.621 412 N HA 0.536 5.277 4.740 0.001 0.000 0.237 412 N C -1.344 174.127 175.510 -0.065 0.000 0.997 412 N CA -0.235 52.787 53.050 -0.047 0.000 0.918 412 N CB 0.145 38.615 38.487 -0.029 0.000 1.122 412 N HN 0.565 nan 8.380 nan 0.000 0.510 413 I N 1.531 122.038 120.570 -0.105 0.000 2.533 413 I HA 0.294 4.464 4.170 0.001 0.000 0.290 413 I C -0.703 175.315 176.117 -0.166 0.000 1.056 413 I CA -0.719 60.478 61.300 -0.171 0.000 1.057 413 I CB 2.290 40.098 38.000 -0.321 0.000 1.240 413 I HN 0.434 nan 8.210 nan 0.000 0.423 414 E N 6.018 126.148 120.200 -0.116 0.000 2.224 414 E HA 0.351 4.701 4.350 0.001 0.000 0.265 414 E C -0.880 175.733 176.600 0.020 0.000 0.878 414 E CA -0.895 55.470 56.400 -0.058 0.000 0.759 414 E CB 1.983 31.677 29.700 -0.009 0.000 1.164 414 E HN 0.472 nan 8.360 nan 0.000 0.414 415 R N 3.442 123.977 120.500 0.058 0.000 2.370 415 R HA 0.272 4.613 4.340 0.001 0.000 0.309 415 R C -1.064 175.332 176.300 0.161 0.000 1.059 415 R CA -0.109 56.152 56.100 0.268 0.000 0.981 415 R CB 0.567 31.042 30.300 0.292 0.000 0.972 415 R HN 0.270 nan 8.270 nan 0.000 0.437 416 V N 4.788 124.799 119.914 0.162 0.000 2.864 416 V HA 0.108 4.228 4.120 0.001 0.000 0.314 416 V C 1.156 177.292 176.094 0.070 0.000 1.073 416 V CA -0.871 61.485 62.300 0.094 0.000 0.956 416 V CB 1.847 33.719 31.823 0.081 0.000 1.023 416 V HN 0.883 nan 8.190 nan 0.000 0.435 417 K N 2.990 123.419 120.400 0.049 0.000 2.097 417 K HA -0.171 4.150 4.320 0.001 0.000 0.223 417 K C 0.793 177.411 176.600 0.030 0.000 1.049 417 K CA 2.499 58.807 56.287 0.035 0.000 0.956 417 K CB -0.719 31.796 32.500 0.026 0.000 0.746 417 K HN 1.835 nan 8.250 nan 0.000 0.461 418 G N 0.000 108.818 108.800 0.029 0.000 5.446 418 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 418 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 418 G CA 0.000 45.112 45.100 0.021 0.000 0.502 418 G HN 0.000 nan 8.290 nan 0.000 0.925