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 1hdi_1_A DATA FIRST_RESID 4 DATA SEQUENCE NKLTLDKLNV KGKRVVMRVD FNVPMAAAQI TNNARIKAAV PSIKFCLDDG DATA SEQUENCE AKSVVLMSHL GRPDGSPMPD KYSLQPVAAE LKSALGKAVL FLKDCVGPAV DATA SEQUENCE EKACADPAAG SVILLENLRF HVEEEGKGKD ASGNKAAGEP AKIKAFRASL DATA SEQUENCE SALGDVYVND AFGTAHRAHS SMVGVNLPKK AGAFLMKKEL NYFAAAAESP DATA SEQUENCE ERPFLAILGG AKVADKIQLI NNMLDKVNEM IIGGGMAFTF LKVLNNMEIG DATA SEQUENCE TSLFDEAGKK IVKNLMSKAA ANGVKITLPV DFVTADKFDE QAKIGQATVA DATA SEQUENCE SGIPAGWMGL DCGPKSSAKY SEAVARAKQI VWNGPVGVFE WEAFAQGTKA DATA SEQUENCE LMDEVVKATS RGCITIIGGG DTATCCAKWN TEDNVSHVST GGGASLELLE DATA SEQUENCE GKVLPGVDAL SNV 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 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.517 175.510 0.011 0.000 1.280 4 N CA 0.000 53.052 53.050 0.004 0.000 0.885 4 N CB 0.000 38.489 38.487 0.004 0.000 1.341 5 K N 0.801 121.209 120.400 0.013 0.000 2.375 5 K HA 0.447 4.767 4.320 0.001 0.000 0.249 5 K C -0.818 175.794 176.600 0.019 0.000 0.942 5 K CA -0.975 55.325 56.287 0.021 0.000 0.806 5 K CB 2.426 34.945 32.500 0.031 0.000 1.227 5 K HN 0.092 nan 8.250 nan 0.000 0.430 6 L N 2.260 123.497 121.223 0.023 0.000 2.499 6 L HA 0.119 4.459 4.340 0.001 0.000 0.273 6 L C -0.048 176.829 176.870 0.013 0.000 1.195 6 L CA 0.926 55.778 54.840 0.019 0.000 0.882 6 L CB 0.211 42.285 42.059 0.025 0.000 1.133 6 L HN 0.746 nan 8.230 nan 0.000 0.483 7 T N 2.093 116.650 114.554 0.006 0.000 2.924 7 T HA 0.307 4.657 4.350 0.001 0.000 0.291 7 T C 1.195 175.873 174.700 -0.038 0.000 1.045 7 T CA -0.839 61.259 62.100 -0.004 0.000 1.015 7 T CB 1.058 69.941 68.868 0.025 0.000 1.103 7 T HN 0.642 nan 8.240 nan 0.000 0.496 8 L N 1.090 122.237 121.223 -0.127 0.000 2.021 8 L HA -0.197 4.144 4.340 0.001 0.000 0.215 8 L C 2.512 179.216 176.870 -0.277 0.000 1.074 8 L CA 2.649 57.312 54.840 -0.295 0.000 0.760 8 L CB -0.533 41.064 42.059 -0.769 0.000 0.889 8 L HN 0.945 nan 8.230 nan 0.000 0.433 9 D N -0.394 119.912 120.400 -0.157 0.000 2.265 9 D HA -0.260 4.380 4.640 0.001 0.000 0.208 9 D C 1.418 177.768 176.300 0.084 0.000 0.977 9 D CA 1.315 55.258 54.000 -0.094 0.000 0.871 9 D CB -0.313 40.496 40.800 0.016 0.000 0.925 9 D HN 0.371 nan 8.370 nan 0.000 0.485 10 K N -0.572 119.859 120.400 0.050 0.000 2.410 10 K HA 0.203 4.523 4.320 0.001 0.000 0.200 10 K C -0.017 176.627 176.600 0.073 0.000 1.023 10 K CA -0.497 55.828 56.287 0.064 0.000 1.149 10 K CB 0.586 33.107 32.500 0.035 0.000 0.859 10 K HN 0.076 nan 8.250 nan 0.000 0.514 11 L N 1.291 122.570 121.223 0.094 0.000 2.307 11 L HA 0.336 4.677 4.340 0.001 0.000 0.284 11 L C -0.770 176.185 176.870 0.140 0.000 1.023 11 L CA -0.624 54.272 54.840 0.093 0.000 0.810 11 L CB 1.156 43.248 42.059 0.056 0.000 1.231 11 L HN -0.102 nan 8.230 nan 0.000 0.423 12 N N 3.553 122.308 118.700 0.091 0.000 2.401 12 N HA 0.147 4.888 4.740 0.001 0.000 0.255 12 N C 0.462 176.006 175.510 0.058 0.000 1.110 12 N CA 0.177 53.270 53.050 0.072 0.000 0.949 12 N CB 1.083 39.598 38.487 0.046 0.000 1.110 12 N HN 0.564 nan 8.380 nan 0.000 0.490 13 V N 1.151 121.097 119.914 0.052 0.000 3.661 13 V HA 0.312 4.433 4.120 0.001 0.000 0.271 13 V C 0.857 176.948 176.094 -0.006 0.000 1.315 13 V CA -0.258 62.058 62.300 0.027 0.000 1.072 13 V CB -0.663 31.184 31.823 0.039 0.000 0.830 13 V HN 0.489 nan 8.190 nan 0.000 0.443 14 K N 2.051 122.441 120.400 -0.017 0.000 2.437 14 K HA 0.249 4.569 4.320 0.001 0.000 0.277 14 K C 1.258 177.850 176.600 -0.014 0.000 1.073 14 K CA 1.157 57.429 56.287 -0.026 0.000 1.105 14 K CB -0.272 32.212 32.500 -0.026 0.000 0.881 14 K HN 0.933 nan 8.250 nan 0.000 0.475 15 G N 3.352 112.143 108.800 -0.016 0.000 2.143 15 G HA2 -0.225 3.736 3.960 0.001 0.000 0.248 15 G HA3 -0.225 3.736 3.960 0.001 0.000 0.248 15 G C -0.332 174.564 174.900 -0.006 0.000 0.991 15 G CA 0.176 45.270 45.100 -0.010 0.000 0.689 15 G HN 0.535 nan 8.290 nan 0.000 0.522 16 K N -0.202 120.195 120.400 -0.004 0.000 2.208 16 K HA 0.542 4.863 4.320 0.001 0.000 0.247 16 K C 0.366 176.965 176.600 -0.001 0.000 0.953 16 K CA -0.928 55.359 56.287 0.001 0.000 0.837 16 K CB 1.526 34.030 32.500 0.007 0.000 1.131 16 K HN 0.247 nan 8.250 nan 0.000 0.431 17 R N 0.830 121.331 120.500 0.000 0.000 2.254 17 R HA 0.311 4.652 4.340 0.001 0.000 0.318 17 R C -0.415 175.887 176.300 0.003 0.000 1.031 17 R CA -0.526 55.573 56.100 -0.001 0.000 0.905 17 R CB 0.925 31.223 30.300 -0.003 0.000 1.050 17 R HN 0.196 nan 8.270 nan 0.000 0.456 18 V N 4.559 124.472 119.914 -0.002 0.000 2.370 18 V HA 0.162 4.282 4.120 0.001 0.000 0.279 18 V C -0.210 175.876 176.094 -0.013 0.000 1.029 18 V CA -0.685 61.610 62.300 -0.008 0.000 0.870 18 V CB 1.663 33.474 31.823 -0.020 0.000 0.984 18 V HN 0.457 nan 8.190 nan 0.000 0.451 19 V N 7.890 127.808 119.914 0.006 0.000 2.348 19 V HA 0.532 4.653 4.120 0.001 0.000 0.270 19 V C -0.153 175.915 176.094 -0.044 0.000 1.037 19 V CA -0.211 62.102 62.300 0.021 0.000 0.872 19 V CB 1.063 32.937 31.823 0.084 0.000 1.002 19 V HN 0.917 nan 8.190 nan 0.000 0.464 20 M N 7.588 127.128 119.600 -0.099 0.000 2.181 20 M HA 0.563 5.044 4.480 0.001 0.000 0.323 20 M C -0.502 175.687 176.300 -0.184 0.000 1.004 20 M CA -0.744 54.430 55.300 -0.209 0.000 0.941 20 M CB 1.063 33.553 32.600 -0.185 0.000 1.579 20 M HN 0.513 nan 8.290 nan 0.000 0.427 21 R N 4.018 124.382 120.500 -0.228 0.000 2.265 21 R HA 0.568 4.909 4.340 0.001 0.000 0.314 21 R C -1.359 174.828 176.300 -0.187 0.000 1.053 21 R CA -0.078 55.949 56.100 -0.122 0.000 0.931 21 R CB 0.555 30.856 30.300 0.002 0.000 1.024 21 R HN 0.647 nan 8.270 nan 0.000 0.457 22 V N 0.050 119.811 119.914 -0.254 0.000 3.001 22 V HA 0.447 4.567 4.120 0.001 0.000 0.314 22 V C -0.349 175.584 176.094 -0.269 0.000 1.099 22 V CA -1.146 60.934 62.300 -0.367 0.000 0.989 22 V CB 2.380 33.704 31.823 -0.832 0.000 1.040 22 V HN 0.570 nan 8.190 nan 0.000 0.434 23 D N 1.671 121.996 120.400 -0.126 0.000 2.485 23 D HA 0.375 5.015 4.640 0.001 0.000 0.221 23 D C -0.111 176.267 176.300 0.131 0.000 1.112 23 D CA -0.219 53.795 54.000 0.022 0.000 0.911 23 D CB 0.522 41.391 40.800 0.116 0.000 1.019 23 D HN 0.647 nan 8.370 nan 0.000 0.516 24 F N 1.751 121.674 119.950 -0.045 0.000 2.641 24 F HA 0.065 4.592 4.527 0.001 0.000 0.302 24 F C 1.378 177.112 175.800 -0.109 0.000 1.098 24 F CA -0.689 57.281 58.000 -0.050 0.000 1.318 24 F CB 0.376 39.359 39.000 -0.027 0.000 1.035 24 F HN 0.167 nan 8.300 nan 0.000 0.551 25 N N 2.382 121.058 118.700 -0.040 0.000 2.814 25 N HA -0.013 4.727 4.740 0.001 0.000 0.304 25 N C -0.289 175.211 175.510 -0.016 0.000 1.211 25 N CA 0.056 53.004 53.050 -0.170 0.000 1.158 25 N CB -0.347 37.892 38.487 -0.414 0.000 1.458 25 N HN 0.086 nan 8.380 nan 0.000 0.519 26 V N 0.496 120.419 119.914 0.014 0.000 2.785 26 V HA 0.661 4.781 4.120 0.001 0.000 0.300 26 V C -1.999 174.110 176.094 0.025 0.000 1.062 26 V CA -1.916 60.395 62.300 0.018 0.000 1.029 26 V CB 0.727 32.543 31.823 -0.012 0.000 1.024 26 V HN 0.277 nan 8.190 nan 0.000 0.477 27 P HA 0.407 nan 4.420 nan 0.000 0.272 27 P C -0.579 176.737 177.300 0.027 0.000 1.223 27 P CA -0.161 62.960 63.100 0.035 0.000 0.784 27 P CB 0.699 32.415 31.700 0.026 0.000 0.923 28 M N 0.101 119.724 119.600 0.039 0.000 3.079 28 M HA 0.751 5.232 4.480 0.001 0.000 0.277 28 M C -1.304 175.010 176.300 0.024 0.000 1.317 28 M CA -0.957 54.358 55.300 0.025 0.000 0.793 28 M CB 2.369 34.989 32.600 0.035 0.000 1.690 28 M HN 0.407 nan 8.290 nan 0.000 0.451 29 A N 0.517 123.342 122.820 0.009 0.000 2.534 29 A HA 0.647 4.967 4.320 0.001 0.000 0.300 29 A C -0.363 177.217 177.584 -0.007 0.000 1.054 29 A CA -0.096 51.944 52.037 0.004 0.000 0.858 29 A CB 0.545 19.549 19.000 0.006 0.000 1.333 29 A HN 1.868 nan 8.150 nan 0.000 0.391 30 A N 1.706 124.518 122.820 -0.014 0.000 1.999 30 A HA 0.322 4.642 4.320 0.001 0.000 0.261 30 A C 1.521 179.091 177.584 -0.024 0.000 1.316 30 A CA 1.669 53.693 52.037 -0.022 0.000 0.752 30 A CB -1.742 17.248 19.000 -0.017 0.000 1.166 30 A HN 2.766 nan 8.150 nan 0.000 0.311 31 A N 0.053 122.856 122.820 -0.029 0.000 2.560 31 A HA -0.073 4.248 4.320 0.001 0.000 0.299 31 A C 0.268 177.834 177.584 -0.031 0.000 1.484 31 A CA 2.118 54.136 52.037 -0.031 0.000 0.749 31 A CB -1.477 17.503 19.000 -0.034 0.000 1.072 31 A HN 1.895 nan 8.150 nan 0.000 0.426 32 Q N -1.396 118.388 119.800 -0.025 0.000 2.352 32 Q HA 0.567 4.908 4.340 0.001 0.000 0.270 32 Q C -0.798 175.188 176.000 -0.024 0.000 1.006 32 Q CA -0.804 54.982 55.803 -0.028 0.000 0.880 32 Q CB 1.697 30.421 28.738 -0.022 0.000 1.392 32 Q HN 0.614 nan 8.270 nan 0.000 0.401 33 I N 1.647 122.197 120.570 -0.034 0.000 2.496 33 I HA 0.092 4.262 4.170 0.001 0.000 0.285 33 I C 1.418 177.520 176.117 -0.025 0.000 1.080 33 I CA 0.312 61.591 61.300 -0.034 0.000 1.404 33 I CB 1.177 39.142 38.000 -0.059 0.000 1.403 33 I HN 0.751 nan 8.210 nan 0.000 0.539 34 T N 0.398 114.942 114.554 -0.016 0.000 3.054 34 T HA 0.186 4.536 4.350 0.001 0.000 0.255 34 T C 0.346 175.038 174.700 -0.015 0.000 1.035 34 T CA -0.241 61.852 62.100 -0.012 0.000 0.941 34 T CB -0.091 68.776 68.868 -0.002 0.000 1.026 34 T HN 0.574 nan 8.240 nan 0.000 0.533 35 N N 0.316 119.004 118.700 -0.019 0.000 2.777 35 N HA 0.207 4.948 4.740 0.001 0.000 0.260 35 N C -0.784 174.710 175.510 -0.027 0.000 1.113 35 N CA -0.431 52.607 53.050 -0.021 0.000 0.996 35 N CB 0.863 39.341 38.487 -0.014 0.000 1.584 35 N HN 0.131 nan 8.380 nan 0.000 0.573 36 N N 1.694 120.374 118.700 -0.033 0.000 2.333 36 N HA 0.002 4.742 4.740 0.001 0.000 0.178 36 N C 1.723 177.221 175.510 -0.021 0.000 1.018 36 N CA 0.708 53.730 53.050 -0.047 0.000 0.882 36 N CB 0.166 38.624 38.487 -0.047 0.000 0.984 36 N HN 0.645 nan 8.380 nan 0.000 0.434 37 A N 2.459 125.275 122.820 -0.006 0.000 1.853 37 A HA -0.368 3.952 4.320 0.001 0.000 0.255 37 A C 2.035 179.649 177.584 0.052 0.000 2.273 37 A CA 2.115 54.160 52.037 0.013 0.000 0.797 37 A CB -1.002 18.002 19.000 0.006 0.000 0.844 37 A HN 0.336 nan 8.150 nan 0.000 0.520 38 R N -1.048 119.498 120.500 0.076 0.000 2.120 38 R HA -0.021 4.319 4.340 0.001 0.000 0.234 38 R C 2.161 178.610 176.300 0.248 0.000 1.123 38 R CA 1.494 57.688 56.100 0.157 0.000 0.975 38 R CB -0.423 29.983 30.300 0.177 0.000 0.866 38 R HN 0.735 nan 8.270 nan 0.000 0.446 39 I N 0.738 121.379 120.570 0.120 0.000 2.233 39 I HA -0.247 3.924 4.170 0.001 0.000 0.243 39 I C 2.104 178.299 176.117 0.130 0.000 1.093 39 I CA 1.353 62.673 61.300 0.033 0.000 1.380 39 I CB -0.242 37.548 38.000 -0.350 0.000 1.067 39 I HN 0.074 nan 8.210 nan 0.000 0.413 40 K N 1.095 121.532 120.400 0.061 0.000 2.147 40 K HA -0.092 4.229 4.320 0.001 0.000 0.205 40 K C 2.210 178.869 176.600 0.099 0.000 1.049 40 K CA 1.349 57.675 56.287 0.065 0.000 0.936 40 K CB -0.223 32.296 32.500 0.032 0.000 0.722 40 K HN 0.295 nan 8.250 nan 0.000 0.446 41 A N 1.193 124.080 122.820 0.113 0.000 2.019 41 A HA -0.071 4.250 4.320 0.001 0.000 0.219 41 A C 2.151 179.820 177.584 0.142 0.000 1.164 41 A CA 1.763 53.870 52.037 0.117 0.000 0.644 41 A CB -0.348 18.721 19.000 0.115 0.000 0.805 41 A HN 0.323 nan 8.150 nan 0.000 0.449 42 A N -1.076 121.851 122.820 0.178 0.000 2.267 42 A HA 0.367 4.688 4.320 0.001 0.000 0.213 42 A C 1.878 179.547 177.584 0.141 0.000 1.192 42 A CA 0.739 52.867 52.037 0.151 0.000 0.851 42 A CB -0.277 18.815 19.000 0.154 0.000 0.881 42 A HN 0.238 nan 8.150 nan 0.000 0.494 43 V N 1.150 121.156 119.914 0.154 0.000 2.332 43 V HA -0.152 3.969 4.120 0.001 0.000 0.248 43 V C -0.321 175.855 176.094 0.136 0.000 1.055 43 V CA 2.530 64.910 62.300 0.133 0.000 1.038 43 V CB -1.302 30.586 31.823 0.109 0.000 0.651 43 V HN 0.386 nan 8.190 nan 0.000 0.450 44 P HA -0.100 nan 4.420 nan 0.000 0.216 44 P C 1.969 179.433 177.300 0.273 0.000 1.150 44 P CA 1.585 64.837 63.100 0.253 0.000 0.837 44 P CB -0.053 31.825 31.700 0.297 0.000 0.786 45 S N -0.809 114.950 115.700 0.097 0.000 2.355 45 S HA -0.059 4.411 4.470 0.001 0.000 0.222 45 S C 1.873 176.444 174.600 -0.049 0.000 1.031 45 S CA 0.892 58.971 58.200 -0.203 0.000 0.993 45 S CB -0.976 62.072 63.200 -0.255 0.000 0.859 45 S HN 0.098 nan 8.310 nan 0.000 0.453 46 I N 1.483 122.066 120.570 0.022 0.000 2.208 46 I HA -0.250 3.921 4.170 0.001 0.000 0.245 46 I C 2.266 178.426 176.117 0.071 0.000 1.097 46 I CA 1.287 62.613 61.300 0.043 0.000 1.363 46 I CB -0.318 37.725 38.000 0.072 0.000 1.051 46 I HN 0.242 nan 8.210 nan 0.000 0.413 47 K N 0.300 120.764 120.400 0.107 0.000 2.057 47 K HA -0.172 4.148 4.320 0.001 0.000 0.206 47 K C 2.127 178.799 176.600 0.121 0.000 1.050 47 K CA 1.414 57.765 56.287 0.107 0.000 0.935 47 K CB -0.387 32.187 32.500 0.124 0.000 0.715 47 K HN 0.148 nan 8.250 nan 0.000 0.439 48 F N 1.907 121.885 119.950 0.047 0.000 2.091 48 F HA -0.345 4.183 4.527 0.001 0.000 0.299 48 F C 2.113 177.912 175.800 -0.001 0.000 1.103 48 F CA 1.411 59.448 58.000 0.061 0.000 1.228 48 F CB -0.396 38.639 39.000 0.058 0.000 0.984 48 F HN 0.010 nan 8.300 nan 0.000 0.477 49 C N 0.703 120.069 119.300 0.112 0.000 2.436 49 C HA -0.169 4.291 4.460 0.001 0.000 0.277 49 C C 2.806 177.750 174.990 -0.076 0.000 1.241 49 C CA 1.186 60.208 59.018 0.007 0.000 1.721 49 C CB -1.423 26.341 27.740 0.040 0.000 2.043 49 C HN 0.535 nan 8.230 nan 0.000 0.472 50 L N 0.743 121.944 121.223 -0.036 0.000 2.012 50 L HA -0.174 4.166 4.340 0.001 0.000 0.210 50 L C 2.254 179.082 176.870 -0.071 0.000 1.073 50 L CA 1.595 56.413 54.840 -0.037 0.000 0.748 50 L CB -0.857 41.200 42.059 -0.004 0.000 0.891 50 L HN 0.314 nan 8.230 nan 0.000 0.431 51 D N -0.058 120.287 120.400 -0.092 0.000 2.218 51 D HA -0.151 4.489 4.640 0.001 0.000 0.204 51 D C 1.029 177.223 176.300 -0.178 0.000 0.976 51 D CA 1.188 55.121 54.000 -0.111 0.000 0.853 51 D CB -0.227 40.515 40.800 -0.096 0.000 0.939 51 D HN 0.381 nan 8.370 nan 0.000 0.481 52 D N -1.295 118.937 120.400 -0.280 0.000 2.358 52 D HA 0.320 4.960 4.640 0.001 0.000 0.224 52 D C 1.054 177.257 176.300 -0.162 0.000 1.123 52 D CA 0.258 54.082 54.000 -0.293 0.000 0.833 52 D CB 0.424 40.896 40.800 -0.547 0.000 0.946 52 D HN 0.141 nan 8.370 nan 0.000 0.505 53 G N 0.360 109.093 108.800 -0.112 0.000 2.136 53 G HA2 -0.241 3.719 3.960 0.001 0.000 0.242 53 G HA3 -0.241 3.719 3.960 0.001 0.000 0.242 53 G C 0.562 175.433 174.900 -0.049 0.000 0.989 53 G CA -0.097 44.963 45.100 -0.067 0.000 0.682 53 G HN 0.577 nan 8.290 nan 0.000 0.522 54 A N -0.064 122.725 122.820 -0.051 0.000 2.531 54 A HA 0.528 4.848 4.320 0.001 0.000 0.236 54 A C 1.460 179.033 177.584 -0.019 0.000 1.062 54 A CA 1.485 53.505 52.037 -0.028 0.000 0.760 54 A CB 0.308 19.295 19.000 -0.021 0.000 0.995 54 A HN 0.692 nan 8.150 nan 0.000 0.501 55 K N 0.792 121.185 120.400 -0.012 0.000 2.097 55 K HA -0.056 4.265 4.320 0.001 0.000 0.205 55 K C 0.484 177.081 176.600 -0.006 0.000 1.050 55 K CA 1.575 57.856 56.287 -0.009 0.000 0.938 55 K CB -0.106 32.390 32.500 -0.007 0.000 0.718 55 K HN 0.949 nan 8.250 nan 0.000 0.442 56 S N -1.541 114.156 115.700 -0.005 0.000 2.588 56 S HA 0.464 4.935 4.470 0.001 0.000 0.269 56 S C -1.151 173.447 174.600 -0.002 0.000 1.157 56 S CA -1.139 57.060 58.200 -0.001 0.000 0.824 56 S CB 2.314 65.513 63.200 -0.002 0.000 1.126 56 S HN -0.142 nan 8.310 nan 0.000 0.464 57 V N 1.615 121.530 119.914 0.002 0.000 2.419 57 V HA 0.453 4.573 4.120 0.001 0.000 0.287 57 V C -0.838 175.257 176.094 0.001 0.000 1.017 57 V CA -0.601 61.697 62.300 -0.003 0.000 0.844 57 V CB 1.431 33.256 31.823 0.003 0.000 1.011 57 V HN 0.813 nan 8.190 nan 0.000 0.429 58 V N 6.726 126.635 119.914 -0.009 0.000 2.348 58 V HA 0.400 4.521 4.120 0.001 0.000 0.270 58 V C 0.075 176.157 176.094 -0.020 0.000 1.037 58 V CA -0.287 62.007 62.300 -0.009 0.000 0.872 58 V CB 1.251 33.064 31.823 -0.017 0.000 1.002 58 V HN 0.631 nan 8.190 nan 0.000 0.464 59 L N 7.038 128.259 121.223 -0.004 0.000 2.292 59 L HA 0.672 5.013 4.340 0.001 0.000 0.284 59 L C 0.036 176.888 176.870 -0.030 0.000 1.065 59 L CA -0.123 54.695 54.840 -0.037 0.000 0.806 59 L CB 1.087 43.155 42.059 0.014 0.000 1.175 59 L HN 0.694 nan 8.230 nan 0.000 0.431 60 M N 1.910 121.466 119.600 -0.074 0.000 2.386 60 M HA 0.805 5.285 4.480 0.001 0.000 0.293 60 M C -0.827 175.447 176.300 -0.043 0.000 1.120 60 M CA -0.362 54.922 55.300 -0.028 0.000 0.909 60 M CB 2.336 34.932 32.600 -0.006 0.000 1.661 60 M HN 0.442 nan 8.290 nan 0.000 0.452 61 S N 0.307 116.019 115.700 0.019 0.000 2.615 61 S HA 0.615 5.086 4.470 0.001 0.000 0.269 61 S C -1.629 173.037 174.600 0.110 0.000 1.161 61 S CA -0.771 57.460 58.200 0.052 0.000 0.817 61 S CB 1.480 64.664 63.200 -0.026 0.000 1.131 61 S HN 1.034 nan 8.310 nan 0.000 0.467 62 H N 1.132 120.224 119.070 0.037 0.000 2.615 62 H HA 0.864 5.421 4.556 0.001 0.000 0.346 62 H C -1.257 174.089 175.328 0.031 0.000 1.200 62 H CA -1.020 55.035 56.048 0.013 0.000 1.264 62 H CB 1.216 30.993 29.762 0.025 0.000 1.699 62 H HN 0.494 nan 8.280 nan 0.000 0.567 63 L N 0.792 121.967 121.223 -0.080 0.000 2.528 63 L HA 0.469 4.810 4.340 0.001 0.000 0.267 63 L C 0.409 177.245 176.870 -0.057 0.000 0.961 63 L CA 1.123 55.907 54.840 -0.092 0.000 0.866 63 L CB 1.165 43.238 42.059 0.023 0.000 1.248 63 L HN 1.276 nan 8.230 nan 0.000 0.404 64 G N 4.329 113.092 108.800 -0.062 0.000 2.601 64 G HA2 -0.230 3.730 3.960 0.001 0.000 0.252 64 G HA3 -0.230 3.730 3.960 0.001 0.000 0.252 64 G C -0.195 174.561 174.900 -0.241 0.000 1.294 64 G CA 0.088 45.061 45.100 -0.212 0.000 0.912 64 G HN 0.752 nan 8.290 nan 0.000 0.574 65 R N 0.805 121.022 120.500 -0.472 0.000 2.629 65 R HA 0.318 4.659 4.340 0.001 0.000 0.277 65 R C -1.905 174.225 176.300 -0.285 0.000 1.637 65 R CA -1.163 54.785 56.100 -0.254 0.000 1.663 65 R CB 1.795 32.033 30.300 -0.103 0.000 1.228 65 R HN 0.332 nan 8.270 nan 0.000 0.632 66 P HA -0.066 nan 4.420 nan 0.000 0.230 66 P C -0.413 176.904 177.300 0.029 0.000 1.158 66 P CA 0.584 63.685 63.100 0.002 0.000 0.769 66 P CB 0.286 32.142 31.700 0.261 0.000 0.807 67 D N -1.402 118.990 120.400 -0.012 0.000 2.837 67 D HA -0.135 4.505 4.640 0.001 0.000 0.230 67 D C 0.936 177.222 176.300 -0.023 0.000 1.152 67 D CA 1.751 55.735 54.000 -0.027 0.000 0.736 67 D CB -1.917 38.870 40.800 -0.020 0.000 1.084 67 D HN 0.411 nan 8.370 nan 0.000 0.429 68 G N -0.454 108.349 108.800 0.006 0.000 2.255 68 G HA2 -0.032 3.928 3.960 0.001 0.000 0.239 68 G HA3 -0.032 3.928 3.960 0.001 0.000 0.239 68 G C 0.006 174.886 174.900 -0.034 0.000 1.083 68 G CA 0.639 45.733 45.100 -0.008 0.000 0.826 68 G HN 1.331 nan 8.290 nan 0.000 0.493 69 S N -1.073 114.603 115.700 -0.040 0.000 2.619 69 S HA 0.749 5.220 4.470 0.001 0.000 0.280 69 S C -2.880 171.519 174.600 -0.334 0.000 1.150 69 S CA -1.556 56.563 58.200 -0.136 0.000 0.978 69 S CB 3.142 66.283 63.200 -0.098 0.000 1.041 69 S HN 0.076 nan 8.310 nan 0.000 0.485 70 P HA 0.158 nan 4.420 nan 0.000 0.259 70 P C -0.638 176.184 177.300 -0.797 0.000 1.211 70 P CA 0.409 62.950 63.100 -0.932 0.000 0.810 70 P CB -0.114 31.331 31.700 -0.426 0.000 0.815 71 M N 6.416 125.310 119.600 -1.178 0.000 3.106 71 M HA 0.198 4.678 4.480 0.001 0.000 0.213 71 M C -1.507 174.636 176.300 -0.262 0.000 1.117 71 M CA -1.573 53.459 55.300 -0.447 0.000 0.900 71 M CB 1.474 34.039 32.600 -0.058 0.000 1.339 71 M HN 0.181 nan 8.290 nan 0.000 0.542 72 P HA -0.127 nan 4.420 nan 0.000 0.230 72 P C 0.397 177.759 177.300 0.104 0.000 1.158 72 P CA 1.176 64.367 63.100 0.151 0.000 0.769 72 P CB 0.320 32.096 31.700 0.127 0.000 0.807 73 D N 0.646 121.048 120.400 0.004 0.000 2.162 73 D HA -0.055 4.585 4.640 0.001 0.000 0.203 73 D C 1.857 178.120 176.300 -0.061 0.000 0.967 73 D CA 1.216 55.201 54.000 -0.024 0.000 0.840 73 D CB 0.251 41.020 40.800 -0.051 0.000 0.972 73 D HN 0.443 nan 8.370 nan 0.000 0.482 74 K N -1.341 118.984 120.400 -0.125 0.000 2.399 74 K HA 0.079 4.400 4.320 0.001 0.000 0.196 74 K C 0.607 177.005 176.600 -0.337 0.000 1.117 74 K CA 0.097 56.197 56.287 -0.312 0.000 0.965 74 K CB 0.311 32.477 32.500 -0.555 0.000 0.983 74 K HN 0.057 nan 8.250 nan 0.000 0.531 75 Y N 2.045 122.459 120.300 0.189 0.000 2.669 75 Y HA 0.306 4.857 4.550 0.001 0.000 0.302 75 Y C 0.032 176.133 175.900 0.334 0.000 1.000 75 Y CA -0.986 57.268 58.100 0.258 0.000 1.222 75 Y CB 1.337 39.999 38.460 0.337 0.000 1.209 75 Y HN -0.044 nan 8.280 nan 0.000 0.571 76 S N 0.530 116.444 115.700 0.357 0.000 2.562 76 S HA 0.279 4.749 4.470 0.001 0.000 0.275 76 S C 0.833 175.512 174.600 0.131 0.000 1.281 76 S CA -0.467 57.910 58.200 0.295 0.000 1.045 76 S CB 0.755 64.092 63.200 0.228 0.000 0.962 76 S HN 0.626 nan 8.310 nan 0.000 0.503 77 L N 4.240 125.546 121.223 0.138 0.000 2.599 77 L HA 0.081 4.422 4.340 0.001 0.000 0.230 77 L C 2.489 179.231 176.870 -0.213 0.000 1.141 77 L CA 0.229 55.117 54.840 0.080 0.000 0.877 77 L CB -0.278 41.932 42.059 0.251 0.000 1.009 77 L HN 0.828 nan 8.230 nan 0.000 0.447 78 Q N 1.041 120.486 119.800 -0.592 0.000 2.112 78 Q HA -0.218 4.122 4.340 0.001 0.000 0.206 78 Q C -0.580 175.108 176.000 -0.521 0.000 0.987 78 Q CA 1.944 57.070 55.803 -1.128 0.000 0.858 78 Q CB -0.546 27.652 28.738 -0.900 0.000 0.905 78 Q HN 0.305 nan 8.270 nan 0.000 0.420 79 P HA -0.149 nan 4.420 nan 0.000 0.216 79 P C 1.252 178.447 177.300 -0.174 0.000 1.150 79 P CA 1.117 64.109 63.100 -0.180 0.000 0.837 79 P CB 0.009 31.639 31.700 -0.116 0.000 0.786 80 V N -0.066 119.740 119.914 -0.180 0.000 2.490 80 V HA -0.250 3.871 4.120 0.001 0.000 0.250 80 V C 2.378 178.370 176.094 -0.170 0.000 1.061 80 V CA 2.057 64.238 62.300 -0.200 0.000 1.064 80 V CB -1.621 30.076 31.823 -0.210 0.000 0.670 80 V HN 0.114 nan 8.190 nan 0.000 0.461 81 A N -0.040 122.697 122.820 -0.137 0.000 1.933 81 A HA -0.085 4.235 4.320 0.001 0.000 0.218 81 A C 2.385 179.935 177.584 -0.055 0.000 1.175 81 A CA 1.960 53.969 52.037 -0.048 0.000 0.628 81 A CB -0.583 18.398 19.000 -0.031 0.000 0.814 81 A HN 0.564 nan 8.150 nan 0.000 0.444 82 A N -0.612 122.153 122.820 -0.092 0.000 1.970 82 A HA -0.001 4.320 4.320 0.001 0.000 0.216 82 A C 1.932 179.477 177.584 -0.065 0.000 1.170 82 A CA 1.825 53.823 52.037 -0.066 0.000 0.645 82 A CB -0.316 18.640 19.000 -0.073 0.000 0.816 82 A HN 0.521 nan 8.150 nan 0.000 0.447 83 E N -0.146 119.998 120.200 -0.094 0.000 2.072 83 E HA -0.126 4.224 4.350 0.001 0.000 0.190 83 E C 1.771 178.313 176.600 -0.096 0.000 0.982 83 E CA 1.152 57.492 56.400 -0.100 0.000 0.803 83 E CB -0.337 29.280 29.700 -0.138 0.000 0.755 83 E HN 0.416 nan 8.360 nan 0.000 0.453 84 L N 0.985 122.141 121.223 -0.112 0.000 2.141 84 L HA -0.046 4.295 4.340 0.001 0.000 0.209 84 L C 2.180 179.039 176.870 -0.018 0.000 1.094 84 L CA 1.950 56.743 54.840 -0.077 0.000 0.763 84 L CB -0.454 41.567 42.059 -0.063 0.000 0.908 84 L HN 0.088 nan 8.230 nan 0.000 0.437 85 K N -1.238 119.154 120.400 -0.013 0.000 2.147 85 K HA -0.167 4.153 4.320 0.001 0.000 0.205 85 K C 2.262 178.861 176.600 -0.002 0.000 1.049 85 K CA 1.396 57.685 56.287 0.004 0.000 0.936 85 K CB -0.200 32.303 32.500 0.005 0.000 0.722 85 K HN 0.437 nan 8.250 nan 0.000 0.446 86 S N -0.406 115.285 115.700 -0.015 0.000 2.395 86 S HA 0.004 4.474 4.470 0.001 0.000 0.225 86 S C 1.957 176.553 174.600 -0.007 0.000 1.027 86 S CA 0.845 59.037 58.200 -0.013 0.000 0.965 86 S CB -0.156 63.031 63.200 -0.022 0.000 0.812 86 S HN 0.445 nan 8.310 nan 0.000 0.482 87 A N 0.805 123.618 122.820 -0.011 0.000 1.930 87 A HA 0.237 4.557 4.320 0.001 0.000 0.215 87 A C 2.033 179.627 177.584 0.016 0.000 1.176 87 A CA 1.092 53.128 52.037 -0.001 0.000 0.632 87 A CB -0.626 18.368 19.000 -0.010 0.000 0.819 87 A HN 0.535 nan 8.150 nan 0.000 0.445 88 L N -0.866 120.370 121.223 0.020 0.000 2.446 88 L HA 0.274 4.614 4.340 0.001 0.000 0.219 88 L C 1.515 178.401 176.870 0.027 0.000 1.116 88 L CA 1.337 56.197 54.840 0.033 0.000 0.844 88 L CB -0.427 41.658 42.059 0.044 0.000 0.970 88 L HN 0.622 nan 8.230 nan 0.000 0.457 89 G N 0.572 109.383 108.800 0.018 0.000 2.305 89 G HA2 -0.319 3.641 3.960 0.001 0.000 0.287 89 G HA3 -0.319 3.641 3.960 0.001 0.000 0.287 89 G C 0.366 175.277 174.900 0.018 0.000 1.036 89 G CA 0.740 45.849 45.100 0.016 0.000 0.887 89 G HN 0.348 nan 8.290 nan 0.000 0.505 90 K N -0.722 119.691 120.400 0.021 0.000 2.542 90 K HA 0.652 4.973 4.320 0.001 0.000 0.259 90 K C 0.253 176.869 176.600 0.027 0.000 0.932 90 K CA -0.165 56.136 56.287 0.024 0.000 0.820 90 K CB 1.836 34.353 32.500 0.028 0.000 1.345 90 K HN 0.770 nan 8.250 nan 0.000 0.432 91 A N 2.070 124.907 122.820 0.027 0.000 2.531 91 A HA 0.326 4.646 4.320 0.001 0.000 0.236 91 A C -0.365 177.246 177.584 0.044 0.000 1.062 91 A CA 0.011 52.068 52.037 0.032 0.000 0.760 91 A CB 0.217 19.235 19.000 0.029 0.000 0.995 91 A HN 0.293 nan 8.150 nan 0.000 0.501 92 V N 3.675 123.622 119.914 0.056 0.000 2.531 92 V HA 0.315 4.436 4.120 0.001 0.000 0.301 92 V C -0.432 175.724 176.094 0.103 0.000 1.034 92 V CA -0.561 61.787 62.300 0.081 0.000 0.865 92 V CB 1.440 33.320 31.823 0.094 0.000 0.995 92 V HN 0.834 nan 8.190 nan 0.000 0.424 93 L N 6.031 127.312 121.223 0.098 0.000 2.295 93 L HA 0.509 4.849 4.340 0.001 0.000 0.288 93 L C -0.724 176.232 176.870 0.143 0.000 1.079 93 L CA 0.203 55.103 54.840 0.101 0.000 0.830 93 L CB 0.268 42.359 42.059 0.054 0.000 1.200 93 L HN 0.556 nan 8.230 nan 0.000 0.438 94 F N 6.073 126.044 119.950 0.035 0.000 2.411 94 F HA 0.539 5.066 4.527 0.001 0.000 0.350 94 F C -0.889 174.937 175.800 0.044 0.000 1.114 94 F CA -0.614 57.411 58.000 0.042 0.000 1.135 94 F CB 0.671 39.697 39.000 0.042 0.000 1.120 94 F HN 0.354 nan 8.300 nan 0.000 0.495 95 L N 7.238 128.009 121.223 -0.753 0.000 2.317 95 L HA 0.374 4.714 4.340 0.001 0.000 0.281 95 L C 0.989 177.339 176.870 -0.867 0.000 1.024 95 L CA -0.915 53.591 54.840 -0.558 0.000 0.810 95 L CB 1.800 43.687 42.059 -0.286 0.000 1.240 95 L HN 0.622 nan 8.230 nan 0.000 0.427 96 K N 0.673 120.843 120.400 -0.385 0.000 2.525 96 K HA 0.060 4.380 4.320 0.001 0.000 0.192 96 K C -0.232 176.362 176.600 -0.011 0.000 1.029 96 K CA 0.391 56.599 56.287 -0.133 0.000 1.029 96 K CB 0.077 32.614 32.500 0.061 0.000 0.814 96 K HN 0.533 nan 8.250 nan 0.000 0.503 97 D N -1.267 119.100 120.400 -0.056 0.000 2.652 97 D HA 0.167 4.808 4.640 0.001 0.000 0.285 97 D C -0.026 176.277 176.300 0.005 0.000 1.173 97 D CA -0.546 53.502 54.000 0.081 0.000 0.981 97 D CB 1.686 42.560 40.800 0.123 0.000 1.440 97 D HN 0.062 nan 8.370 nan 0.000 0.485 98 C N -0.520 118.815 119.300 0.058 0.000 3.724 98 C HA 0.635 5.095 4.460 0.001 0.000 0.327 98 C C 0.368 175.274 174.990 -0.140 0.000 1.490 98 C CA -0.079 58.912 59.018 -0.044 0.000 1.825 98 C CB -0.792 26.945 27.740 -0.005 0.000 2.613 98 C HN 0.363 nan 8.230 nan 0.000 0.692 99 V N -1.871 117.963 119.914 -0.134 0.000 3.182 99 V HA 1.033 5.154 4.120 0.001 0.000 0.308 99 V C -0.011 176.041 176.094 -0.070 0.000 1.240 99 V CA 0.014 62.201 62.300 -0.188 0.000 1.063 99 V CB 0.720 32.344 31.823 -0.331 0.000 1.076 99 V HN 1.829 nan 8.190 nan 0.000 0.446 100 G N 0.692 109.454 108.800 -0.062 0.000 2.570 100 G HA2 0.089 4.049 3.960 0.001 0.000 0.686 100 G HA3 0.089 4.049 3.960 0.001 0.000 0.686 100 G C -2.406 172.481 174.900 -0.022 0.000 1.257 100 G CA -0.056 45.036 45.100 -0.014 0.000 0.846 100 G HN 0.748 nan 8.290 nan 0.000 0.627 101 P HA -0.045 nan 4.420 nan 0.000 0.216 101 P C 2.184 179.476 177.300 -0.012 0.000 1.153 101 P CA 2.968 66.062 63.100 -0.011 0.000 0.858 101 P CB 0.089 31.789 31.700 -0.002 0.000 0.789 102 A N -0.913 121.903 122.820 -0.006 0.000 1.929 102 A HA -0.092 4.229 4.320 0.001 0.000 0.216 102 A C 2.301 179.874 177.584 -0.019 0.000 1.176 102 A CA 1.404 53.437 52.037 -0.008 0.000 0.628 102 A CB -1.525 17.475 19.000 0.001 0.000 0.816 102 A HN 0.025 nan 8.150 nan 0.000 0.444 103 V N 0.196 120.094 119.914 -0.026 0.000 2.358 103 V HA -0.237 3.884 4.120 0.001 0.000 0.246 103 V C 2.354 178.421 176.094 -0.045 0.000 1.047 103 V CA 2.171 64.446 62.300 -0.043 0.000 1.035 103 V CB -0.808 30.982 31.823 -0.057 0.000 0.658 103 V HN 0.628 nan 8.190 nan 0.000 0.452 104 E N 0.097 120.270 120.200 -0.045 0.000 2.077 104 E HA -0.281 4.070 4.350 0.001 0.000 0.193 104 E C 2.247 178.828 176.600 -0.031 0.000 0.989 104 E CA 1.429 57.802 56.400 -0.044 0.000 0.800 104 E CB -0.156 29.517 29.700 -0.045 0.000 0.746 104 E HN 0.523 nan 8.360 nan 0.000 0.452 105 K N 0.738 121.124 120.400 -0.024 0.000 2.097 105 K HA -0.105 4.216 4.320 0.001 0.000 0.205 105 K C 2.065 178.656 176.600 -0.016 0.000 1.050 105 K CA 1.103 57.379 56.287 -0.017 0.000 0.938 105 K CB -0.050 32.443 32.500 -0.012 0.000 0.718 105 K HN 0.083 nan 8.250 nan 0.000 0.442 106 A N 0.225 123.033 122.820 -0.020 0.000 1.969 106 A HA -0.112 4.209 4.320 0.001 0.000 0.218 106 A C 1.994 179.567 177.584 -0.018 0.000 1.169 106 A CA 1.373 53.400 52.037 -0.018 0.000 0.635 106 A CB -0.468 18.518 19.000 -0.023 0.000 0.810 106 A HN 0.541 nan 8.150 nan 0.000 0.445 107 C N -0.931 118.354 119.300 -0.024 0.000 2.791 107 C HA 0.503 4.963 4.460 0.001 0.000 0.270 107 C C 2.789 177.767 174.990 -0.019 0.000 1.257 107 C CA -0.416 58.588 59.018 -0.022 0.000 1.699 107 C CB -1.248 26.474 27.740 -0.031 0.000 1.904 107 C HN 0.690 nan 8.230 nan 0.000 0.603 108 A N 0.908 123.717 122.820 -0.018 0.000 1.845 108 A HA -0.135 4.185 4.320 0.001 0.000 0.215 108 A C 1.138 178.715 177.584 -0.011 0.000 1.195 108 A CA 2.150 54.178 52.037 -0.015 0.000 0.616 108 A CB -0.220 18.772 19.000 -0.014 0.000 0.832 108 A HN 0.501 nan 8.150 nan 0.000 0.443 109 D N -1.034 119.361 120.400 -0.009 0.000 2.735 109 D HA 0.372 5.013 4.640 0.001 0.000 0.291 109 D C -2.859 173.438 176.300 -0.005 0.000 1.205 109 D CA -1.512 52.484 54.000 -0.006 0.000 0.777 109 D CB 0.368 41.164 40.800 -0.005 0.000 1.234 109 D HN 0.116 nan 8.370 nan 0.000 0.520 110 P HA 0.345 nan 4.420 nan 0.000 0.270 110 P C -0.455 176.845 177.300 -0.000 0.000 1.223 110 P CA -0.560 62.539 63.100 -0.002 0.000 0.785 110 P CB 0.661 32.360 31.700 -0.002 0.000 0.923 111 A N 1.990 124.811 122.820 0.002 0.000 2.520 111 A HA 0.429 4.750 4.320 0.001 0.000 0.245 111 A C 0.705 178.290 177.584 0.001 0.000 1.072 111 A CA -0.011 52.027 52.037 0.002 0.000 0.761 111 A CB -0.722 18.281 19.000 0.005 0.000 1.004 111 A HN 0.692 nan 8.150 nan 0.000 0.499 112 A N 2.039 124.858 122.820 -0.001 0.000 2.584 112 A HA 0.444 4.765 4.320 0.001 0.000 0.239 112 A C 1.669 179.252 177.584 -0.003 0.000 1.043 112 A CA 0.971 53.006 52.037 -0.004 0.000 0.756 112 A CB -0.762 18.234 19.000 -0.006 0.000 0.963 112 A HN 2.787 nan 8.150 nan 0.000 0.511 113 G N 1.855 110.653 108.800 -0.004 0.000 2.175 113 G HA2 -0.192 3.768 3.960 0.001 0.000 0.244 113 G HA3 -0.192 3.768 3.960 0.001 0.000 0.244 113 G C 0.449 175.353 174.900 0.007 0.000 0.982 113 G CA 0.308 45.408 45.100 -0.001 0.000 0.641 113 G HN 1.211 nan 8.290 nan 0.000 0.527 114 S N -0.270 115.435 115.700 0.008 0.000 2.531 114 S HA 0.479 4.949 4.470 0.001 0.000 0.279 114 S C 0.452 175.064 174.600 0.020 0.000 1.305 114 S CA -0.077 58.132 58.200 0.014 0.000 1.058 114 S CB 1.834 65.041 63.200 0.011 0.000 0.899 114 S HN 0.647 nan 8.310 nan 0.000 0.493 115 V N 5.746 125.679 119.914 0.031 0.000 2.384 115 V HA 0.480 4.600 4.120 0.001 0.000 0.287 115 V C -0.238 175.888 176.094 0.054 0.000 1.020 115 V CA -0.452 61.874 62.300 0.044 0.000 0.850 115 V CB 1.074 32.931 31.823 0.057 0.000 0.987 115 V HN 0.725 nan 8.190 nan 0.000 0.436 116 I N 5.767 126.366 120.570 0.049 0.000 2.465 116 I HA 0.470 4.641 4.170 0.001 0.000 0.291 116 I C -0.975 175.181 176.117 0.066 0.000 1.014 116 I CA -0.791 60.538 61.300 0.047 0.000 1.093 116 I CB 2.080 40.086 38.000 0.011 0.000 1.267 116 I HN 0.403 nan 8.210 nan 0.000 0.431 117 L N 7.618 128.904 121.223 0.105 0.000 2.305 117 L HA 0.565 4.906 4.340 0.001 0.000 0.284 117 L C -0.835 176.054 176.870 0.031 0.000 1.013 117 L CA -0.131 54.804 54.840 0.160 0.000 0.819 117 L CB 1.088 43.344 42.059 0.328 0.000 1.227 117 L HN 0.446 nan 8.230 nan 0.000 0.417 118 L N 2.551 123.768 121.223 -0.011 0.000 2.439 118 L HA 0.441 4.781 4.340 0.001 0.000 0.261 118 L C 0.436 177.252 176.870 -0.091 0.000 1.153 118 L CA -0.688 54.077 54.840 -0.124 0.000 0.808 118 L CB 0.762 42.781 42.059 -0.068 0.000 1.126 118 L HN 0.597 nan 8.230 nan 0.000 0.460 119 E N 1.395 121.485 120.200 -0.184 0.000 2.392 119 E HA -0.016 4.335 4.350 0.001 0.000 0.259 119 E C -0.090 176.448 176.600 -0.104 0.000 1.108 119 E CA -0.379 55.991 56.400 -0.050 0.000 0.916 119 E CB 0.435 30.128 29.700 -0.010 0.000 0.989 119 E HN 0.391 nan 8.360 nan 0.000 0.432 120 N N 2.790 121.293 118.700 -0.327 0.000 2.142 120 N HA -0.152 4.589 4.740 0.001 0.000 0.282 120 N C 0.666 175.996 175.510 -0.299 0.000 1.342 120 N CA 0.482 53.234 53.050 -0.497 0.000 0.831 120 N CB 0.191 37.952 38.487 -1.210 0.000 1.083 120 N HN 0.573 nan 8.380 nan 0.000 0.492 121 L N 3.863 125.083 121.223 -0.006 0.000 2.191 121 L HA -0.099 4.242 4.340 0.001 0.000 0.212 121 L C 1.956 178.945 176.870 0.199 0.000 1.103 121 L CA 0.995 55.948 54.840 0.188 0.000 0.769 121 L CB -0.121 42.071 42.059 0.220 0.000 0.908 121 L HN 0.491 nan 8.230 nan 0.000 0.438 122 R N -0.755 119.803 120.500 0.097 0.000 2.328 122 R HA -0.033 4.307 4.340 0.001 0.000 0.200 122 R C 1.227 177.684 176.300 0.262 0.000 0.983 122 R CA 0.170 56.336 56.100 0.110 0.000 1.062 122 R CB -0.066 30.279 30.300 0.075 0.000 0.956 122 R HN 0.216 nan 8.270 nan 0.000 0.479 123 F N -0.128 119.852 119.950 0.050 0.000 2.748 123 F HA 0.067 4.594 4.527 0.001 0.000 0.299 123 F C 0.361 175.984 175.800 -0.295 0.000 1.154 123 F CA 0.062 58.005 58.000 -0.095 0.000 1.446 123 F CB -0.351 38.586 39.000 -0.105 0.000 1.112 123 F HN 0.002 nan 8.300 nan 0.000 0.584 124 H N -1.982 117.157 119.070 0.115 0.000 2.505 124 H HA 0.275 4.832 4.556 0.001 0.000 0.338 124 H C 0.872 176.057 175.328 -0.238 0.000 1.057 124 H CA -0.400 55.596 56.048 -0.086 0.000 1.202 124 H CB 2.433 32.085 29.762 -0.184 0.000 1.466 124 H HN -0.204 nan 8.280 nan 0.000 0.499 125 V N 2.847 122.693 119.914 -0.113 0.000 2.720 125 V HA -0.196 3.925 4.120 0.001 0.000 0.256 125 V C 1.130 177.063 176.094 -0.269 0.000 1.082 125 V CA 1.898 64.103 62.300 -0.159 0.000 1.101 125 V CB -0.207 31.551 31.823 -0.109 0.000 0.693 125 V HN 0.748 nan 8.190 nan 0.000 0.479 126 E N 0.096 120.040 120.200 -0.428 0.000 2.268 126 E HA -0.195 4.156 4.350 0.001 0.000 0.195 126 E C 1.925 178.125 176.600 -0.667 0.000 0.995 126 E CA 1.152 57.201 56.400 -0.585 0.000 0.836 126 E CB -0.152 29.084 29.700 -0.772 0.000 0.763 126 E HN 0.788 nan 8.360 nan 0.000 0.491 127 E N 1.401 121.175 120.200 -0.710 0.000 2.015 127 E HA -0.183 4.168 4.350 0.001 0.000 0.191 127 E C 1.493 177.890 176.600 -0.339 0.000 0.991 127 E CA 1.625 57.825 56.400 -0.334 0.000 0.802 127 E CB -0.040 29.576 29.700 -0.140 0.000 0.759 127 E HN 0.307 nan 8.360 nan 0.000 0.447 128 E N -1.303 118.604 120.200 -0.487 0.000 2.216 128 E HA 0.091 4.441 4.350 0.001 0.000 0.192 128 E C 0.979 177.360 176.600 -0.365 0.000 0.988 128 E CA 0.503 56.451 56.400 -0.753 0.000 0.834 128 E CB 0.139 29.474 29.700 -0.607 0.000 0.772 128 E HN 0.493 nan 8.360 nan 0.000 0.479 129 G N 1.800 110.446 108.800 -0.258 0.000 2.157 129 G HA2 -0.299 3.662 3.960 0.001 0.000 0.239 129 G HA3 -0.299 3.662 3.960 0.001 0.000 0.239 129 G C 0.054 174.878 174.900 -0.126 0.000 0.982 129 G CA 0.718 45.723 45.100 -0.159 0.000 0.650 129 G HN 0.346 nan 8.290 nan 0.000 0.527 130 K N -2.043 118.271 120.400 -0.144 0.000 2.642 130 K HA 0.803 5.124 4.320 0.001 0.000 0.290 130 K C 0.037 176.575 176.600 -0.105 0.000 1.006 130 K CA -0.267 55.959 56.287 -0.102 0.000 0.869 130 K CB 1.020 33.474 32.500 -0.078 0.000 1.499 130 K HN 1.585 nan 8.250 nan 0.000 0.403 131 G N 0.316 109.071 108.800 -0.074 0.000 2.435 131 G HA2 0.439 4.399 3.960 0.001 0.000 0.296 131 G HA3 0.439 4.399 3.960 0.001 0.000 0.296 131 G C -1.801 173.074 174.900 -0.043 0.000 1.240 131 G CA -1.038 44.024 45.100 -0.063 0.000 0.872 131 G HN 0.477 nan 8.290 nan 0.000 0.480 132 K N 0.645 121.025 120.400 -0.034 0.000 2.375 132 K HA 0.470 4.790 4.320 0.001 0.000 0.249 132 K C -0.904 175.681 176.600 -0.024 0.000 0.942 132 K CA -0.854 55.418 56.287 -0.024 0.000 0.806 132 K CB 2.396 34.888 32.500 -0.014 0.000 1.227 132 K HN 0.732 nan 8.250 nan 0.000 0.430 133 D N 0.882 121.268 120.400 -0.022 0.000 2.440 133 D HA 0.126 4.766 4.640 0.001 0.000 0.269 133 D C 0.972 177.260 176.300 -0.020 0.000 1.249 133 D CA -0.341 53.645 54.000 -0.024 0.000 1.055 133 D CB 0.189 40.976 40.800 -0.022 0.000 1.104 133 D HN 0.425 nan 8.370 nan 0.000 0.561 134 A N -0.189 122.618 122.820 -0.023 0.000 1.908 134 A HA -0.159 4.161 4.320 0.001 0.000 0.218 134 A C 2.184 179.760 177.584 -0.013 0.000 1.181 134 A CA 2.195 54.220 52.037 -0.020 0.000 0.627 134 A CB -1.104 17.882 19.000 -0.024 0.000 0.818 134 A HN 0.520 nan 8.150 nan 0.000 0.445 135 S N -1.673 114.020 115.700 -0.012 0.000 2.442 135 S HA 0.238 4.709 4.470 0.001 0.000 0.236 135 S C 1.549 176.146 174.600 -0.005 0.000 1.007 135 S CA 1.261 59.456 58.200 -0.008 0.000 0.965 135 S CB -0.162 63.033 63.200 -0.009 0.000 0.773 135 S HN 1.744 nan 8.310 nan 0.000 0.504 136 G N 1.182 109.979 108.800 -0.005 0.000 2.184 136 G HA2 -0.188 3.772 3.960 0.001 0.000 0.206 136 G HA3 -0.188 3.772 3.960 0.001 0.000 0.206 136 G C -0.282 174.615 174.900 -0.005 0.000 0.995 136 G CA -0.520 44.579 45.100 -0.002 0.000 0.651 136 G HN 0.396 nan 8.290 nan 0.000 0.511 137 N N 1.410 120.105 118.700 -0.008 0.000 2.520 137 N HA 0.320 5.060 4.740 0.001 0.000 0.273 137 N C 0.279 175.781 175.510 -0.014 0.000 1.155 137 N CA 0.105 53.148 53.050 -0.010 0.000 0.967 137 N CB 0.735 39.216 38.487 -0.011 0.000 1.092 137 N HN 0.378 nan 8.380 nan 0.000 0.457 138 K N 1.233 121.624 120.400 -0.015 0.000 2.383 138 K HA 0.340 4.660 4.320 0.001 0.000 0.286 138 K C -0.271 176.315 176.600 -0.023 0.000 1.051 138 K CA -0.176 56.099 56.287 -0.020 0.000 0.974 138 K CB 0.593 33.082 32.500 -0.019 0.000 0.968 138 K HN 0.504 nan 8.250 nan 0.000 0.475 139 A N 2.196 124.999 122.820 -0.029 0.000 2.337 139 A HA 0.692 5.013 4.320 0.001 0.000 0.329 139 A C -0.713 176.848 177.584 -0.038 0.000 1.146 139 A CA -0.745 51.274 52.037 -0.031 0.000 0.800 139 A CB 1.384 20.364 19.000 -0.032 0.000 1.220 139 A HN 0.741 nan 8.150 nan 0.000 0.472 140 A N 1.215 124.014 122.820 -0.035 0.000 2.312 140 A HA 0.726 5.046 4.320 0.001 0.000 0.326 140 A C 0.633 178.190 177.584 -0.045 0.000 1.172 140 A CA 0.026 52.039 52.037 -0.040 0.000 0.821 140 A CB 0.606 19.587 19.000 -0.032 0.000 1.166 140 A HN 1.720 nan 8.150 nan 0.000 0.493 141 G N 0.489 109.254 108.800 -0.058 0.000 2.527 141 G HA2 0.436 4.397 3.960 0.001 0.000 0.248 141 G HA3 0.436 4.397 3.960 0.001 0.000 0.248 141 G C -0.166 174.708 174.900 -0.043 0.000 1.231 141 G CA -0.216 44.846 45.100 -0.063 0.000 0.838 141 G HN 0.678 nan 8.290 nan 0.000 0.570 142 E N 1.891 122.071 120.200 -0.034 0.000 2.197 142 E HA 0.234 4.585 4.350 0.001 0.000 0.281 142 E C -1.591 175.000 176.600 -0.015 0.000 0.995 142 E CA -2.038 54.350 56.400 -0.020 0.000 0.808 142 E CB 2.057 31.750 29.700 -0.012 0.000 1.093 142 E HN 0.049 nan 8.360 nan 0.000 0.394 143 P HA -0.194 nan 4.420 nan 0.000 0.215 143 P C 0.879 178.181 177.300 0.004 0.000 1.163 143 P CA 2.293 65.390 63.100 -0.005 0.000 0.894 143 P CB 0.157 31.854 31.700 -0.005 0.000 0.791 144 A N -0.482 122.341 122.820 0.005 0.000 1.933 144 A HA -0.207 4.113 4.320 0.001 0.000 0.218 144 A C 2.080 179.678 177.584 0.023 0.000 1.175 144 A CA 1.634 53.678 52.037 0.011 0.000 0.628 144 A CB -0.913 18.092 19.000 0.009 0.000 0.814 144 A HN 0.059 nan 8.150 nan 0.000 0.444 145 K N -0.099 120.314 120.400 0.022 0.000 2.097 145 K HA 0.015 4.336 4.320 0.001 0.000 0.205 145 K C 1.820 178.458 176.600 0.063 0.000 1.050 145 K CA 1.060 57.370 56.287 0.038 0.000 0.938 145 K CB -0.560 31.952 32.500 0.019 0.000 0.718 145 K HN 0.617 nan 8.250 nan 0.000 0.442 146 I N 1.194 121.785 120.570 0.035 0.000 2.179 146 I HA -0.294 3.876 4.170 0.001 0.000 0.242 146 I C 2.664 178.842 176.117 0.102 0.000 1.088 146 I CA 1.262 62.595 61.300 0.055 0.000 1.357 146 I CB -0.272 37.735 38.000 0.012 0.000 1.051 146 I HN 0.193 nan 8.210 nan 0.000 0.409 147 K N 1.395 121.828 120.400 0.055 0.000 2.032 147 K HA -0.209 4.111 4.320 0.001 0.000 0.209 147 K C 2.212 178.836 176.600 0.042 0.000 1.048 147 K CA 1.635 57.944 56.287 0.038 0.000 0.927 147 K CB -0.128 32.382 32.500 0.016 0.000 0.712 147 K HN 0.287 nan 8.250 nan 0.000 0.441 148 A N 0.746 123.599 122.820 0.054 0.000 1.902 148 A HA -0.172 4.149 4.320 0.001 0.000 0.217 148 A C 2.014 179.629 177.584 0.052 0.000 1.181 148 A CA 1.430 53.493 52.037 0.043 0.000 0.623 148 A CB -0.858 18.172 19.000 0.051 0.000 0.818 148 A HN 0.537 nan 8.150 nan 0.000 0.443 149 F N 0.647 120.564 119.950 -0.055 0.000 2.134 149 F HA -0.170 4.358 4.527 0.001 0.000 0.299 149 F C 2.383 178.133 175.800 -0.082 0.000 1.097 149 F CA 1.967 59.916 58.000 -0.084 0.000 1.264 149 F CB -0.198 38.754 39.000 -0.080 0.000 1.001 149 F HN 0.115 nan 8.300 nan 0.000 0.479 150 R N -0.087 120.413 120.500 -0.000 0.000 2.092 150 R HA -0.050 4.290 4.340 0.001 0.000 0.231 150 R C 2.422 178.633 176.300 -0.149 0.000 1.119 150 R CA 1.056 57.096 56.100 -0.099 0.000 0.970 150 R CB -0.720 29.579 30.300 -0.001 0.000 0.864 150 R HN 0.374 nan 8.270 nan 0.000 0.440 151 A N 0.084 122.843 122.820 -0.101 0.000 1.969 151 A HA -0.136 4.185 4.320 0.001 0.000 0.218 151 A C 2.129 179.637 177.584 -0.126 0.000 1.169 151 A CA 1.615 53.596 52.037 -0.093 0.000 0.635 151 A CB -0.383 18.584 19.000 -0.055 0.000 0.810 151 A HN 0.277 nan 8.150 nan 0.000 0.445 152 S N -0.469 115.126 115.700 -0.176 0.000 2.371 152 S HA -0.033 4.438 4.470 0.001 0.000 0.224 152 S C 1.915 176.379 174.600 -0.227 0.000 1.029 152 S CA 1.147 59.232 58.200 -0.192 0.000 0.978 152 S CB -0.437 62.631 63.200 -0.220 0.000 0.833 152 S HN 0.503 nan 8.310 nan 0.000 0.466 153 L N 1.115 122.140 121.223 -0.330 0.000 2.083 153 L HA -0.065 4.276 4.340 0.001 0.000 0.209 153 L C 2.634 179.406 176.870 -0.163 0.000 1.083 153 L CA 1.232 55.905 54.840 -0.280 0.000 0.752 153 L CB -0.574 41.273 42.059 -0.354 0.000 0.899 153 L HN 0.300 nan 8.230 nan 0.000 0.433 154 S N -0.097 115.510 115.700 -0.155 0.000 2.423 154 S HA -0.106 4.364 4.470 0.001 0.000 0.231 154 S C 2.107 176.662 174.600 -0.075 0.000 1.014 154 S CA 1.036 59.171 58.200 -0.109 0.000 0.965 154 S CB -0.176 62.959 63.200 -0.109 0.000 0.785 154 S HN 0.499 nan 8.310 nan 0.000 0.495 155 A N 1.305 124.076 122.820 -0.082 0.000 2.066 155 A HA 0.138 4.459 4.320 0.001 0.000 0.218 155 A C 1.842 179.397 177.584 -0.049 0.000 1.157 155 A CA 0.656 52.657 52.037 -0.060 0.000 0.670 155 A CB -0.557 18.405 19.000 -0.062 0.000 0.804 155 A HN 0.495 nan 8.150 nan 0.000 0.453 156 L N -1.065 120.125 121.223 -0.056 0.000 2.465 156 L HA 0.134 4.475 4.340 0.001 0.000 0.224 156 L C 1.224 178.082 176.870 -0.021 0.000 1.145 156 L CA 0.398 55.213 54.840 -0.043 0.000 0.834 156 L CB -0.657 41.369 42.059 -0.056 0.000 0.944 156 L HN 0.439 nan 8.230 nan 0.000 0.451 157 G N -1.698 107.096 108.800 -0.011 0.000 2.692 157 G HA2 0.303 4.264 3.960 0.001 0.000 0.291 157 G HA3 0.303 4.264 3.960 0.001 0.000 0.291 157 G C -0.665 174.240 174.900 0.008 0.000 1.423 157 G CA -0.385 44.718 45.100 0.005 0.000 0.843 157 G HN -0.185 nan 8.290 nan 0.000 0.486 158 D N -1.112 119.296 120.400 0.012 0.000 2.277 158 D HA 0.069 4.710 4.640 0.001 0.000 0.209 158 D C 1.261 177.577 176.300 0.027 0.000 0.970 158 D CA 1.199 55.207 54.000 0.012 0.000 0.874 158 D CB 1.035 41.840 40.800 0.008 0.000 0.982 158 D HN 0.421 nan 8.370 nan 0.000 0.504 159 V N -1.796 118.143 119.914 0.041 0.000 2.962 159 V HA 0.578 4.698 4.120 0.001 0.000 0.313 159 V C -1.199 174.962 176.094 0.112 0.000 1.099 159 V CA -1.195 61.144 62.300 0.065 0.000 0.971 159 V CB 2.191 34.040 31.823 0.044 0.000 1.028 159 V HN 0.006 nan 8.190 nan 0.000 0.430 160 Y N 2.138 122.424 120.300 -0.024 0.000 2.429 160 Y HA 0.838 5.388 4.550 0.001 0.000 0.342 160 Y C -0.937 174.943 175.900 -0.034 0.000 1.004 160 Y CA -0.853 57.228 58.100 -0.031 0.000 1.075 160 Y CB 2.133 40.574 38.460 -0.032 0.000 1.214 160 Y HN 0.665 nan 8.280 nan 0.000 0.455 161 V N 6.163 125.658 119.914 -0.700 0.000 2.577 161 V HA 0.313 4.433 4.120 0.001 0.000 0.303 161 V C -1.060 174.529 176.094 -0.843 0.000 1.042 161 V CA -1.011 60.928 62.300 -0.601 0.000 0.872 161 V CB 1.736 33.360 31.823 -0.332 0.000 0.998 161 V HN 0.795 nan 8.190 nan 0.000 0.423 162 N N 2.952 121.300 118.700 -0.587 0.000 2.511 162 N HA 0.302 5.042 4.740 0.001 0.000 0.249 162 N C -0.309 175.106 175.510 -0.158 0.000 0.971 162 N CA -0.166 52.667 53.050 -0.361 0.000 0.938 162 N CB 1.707 40.122 38.487 -0.120 0.000 1.131 162 N HN 0.670 nan 8.380 nan 0.000 0.505 163 D N 1.857 122.174 120.400 -0.140 0.000 2.431 163 D HA 0.242 4.883 4.640 0.001 0.000 0.213 163 D C 0.010 176.326 176.300 0.025 0.000 1.130 163 D CA -0.054 53.917 54.000 -0.049 0.000 0.834 163 D CB 0.328 41.078 40.800 -0.085 0.000 0.985 163 D HN 0.541 nan 8.370 nan 0.000 0.504 164 A N 0.674 123.503 122.820 0.014 0.000 3.063 164 A HA 0.129 4.450 4.320 0.001 0.000 0.263 164 A C 1.028 178.678 177.584 0.110 0.000 1.736 164 A CA -0.475 51.595 52.037 0.055 0.000 1.408 164 A CB -1.285 17.731 19.000 0.028 0.000 1.108 164 A HN 0.268 nan 8.150 nan 0.000 0.621 165 F N 1.626 121.612 119.950 0.060 0.000 2.120 165 F HA -0.140 4.388 4.527 0.001 0.000 0.300 165 F C 2.040 177.898 175.800 0.097 0.000 1.095 165 F CA 2.223 60.273 58.000 0.084 0.000 1.249 165 F CB -0.385 38.681 39.000 0.110 0.000 0.995 165 F HN 0.414 nan 8.300 nan 0.000 0.480 166 G N -1.524 107.292 108.800 0.026 0.000 2.479 166 G HA2 -0.210 3.750 3.960 0.001 0.000 0.220 166 G HA3 -0.210 3.750 3.960 0.001 0.000 0.220 166 G C 1.356 176.267 174.900 0.018 0.000 1.115 166 G CA 1.413 46.502 45.100 -0.019 0.000 0.757 166 G HN 0.433 nan 8.290 nan 0.000 0.560 167 T N 0.330 114.899 114.554 0.025 0.000 3.054 167 T HA 0.431 4.782 4.350 0.001 0.000 0.255 167 T C 2.384 177.045 174.700 -0.066 0.000 1.035 167 T CA 0.407 62.515 62.100 0.013 0.000 0.941 167 T CB 0.561 69.445 68.868 0.027 0.000 1.026 167 T HN 0.301 nan 8.240 nan 0.000 0.533 168 A N 2.086 124.854 122.820 -0.086 0.000 2.131 168 A HA -0.168 4.152 4.320 0.001 0.000 0.220 168 A C 1.763 179.309 177.584 -0.064 0.000 1.158 168 A CA 1.594 53.570 52.037 -0.102 0.000 0.665 168 A CB -0.888 18.013 19.000 -0.164 0.000 0.795 168 A HN 0.884 nan 8.150 nan 0.000 0.460 169 H N -2.582 116.328 119.070 -0.266 0.000 2.551 169 H HA 0.265 4.821 4.556 0.001 0.000 0.266 169 H C 0.254 175.445 175.328 -0.229 0.000 0.977 169 H CA -0.263 55.656 56.048 -0.216 0.000 1.163 169 H CB 0.109 29.748 29.762 -0.205 0.000 1.381 169 H HN 0.089 nan 8.280 nan 0.000 0.581 170 R N 1.589 121.748 120.500 -0.567 0.000 2.229 170 R HA 0.391 4.732 4.340 0.001 0.000 0.328 170 R C -0.381 175.621 176.300 -0.495 0.000 1.009 170 R CA -0.243 55.397 56.100 -0.766 0.000 0.864 170 R CB 1.196 30.759 30.300 -1.227 0.000 1.085 170 R HN 0.394 nan 8.270 nan 0.000 0.453 171 A N 4.638 127.270 122.820 -0.313 0.000 3.202 171 A HA 0.157 4.477 4.320 0.001 0.000 0.258 171 A C -0.338 177.284 177.584 0.062 0.000 1.572 171 A CA -0.349 51.631 52.037 -0.096 0.000 1.241 171 A CB -0.571 18.402 19.000 -0.045 0.000 1.127 171 A HN 0.517 nan 8.150 nan 0.000 0.648 172 H N -0.391 118.634 119.070 -0.075 0.000 2.508 172 H HA 0.301 4.858 4.556 0.001 0.000 0.358 172 H C 1.527 176.853 175.328 -0.002 0.000 1.212 172 H CA -0.647 55.368 56.048 -0.055 0.000 1.356 172 H CB 0.976 30.685 29.762 -0.088 0.000 1.525 172 H HN 0.340 nan 8.280 nan 0.000 0.578 173 S N 0.768 116.565 115.700 0.162 0.000 2.372 173 S HA -0.223 4.248 4.470 0.001 0.000 0.227 173 S C 2.076 176.756 174.600 0.132 0.000 1.044 173 S CA 1.941 60.245 58.200 0.173 0.000 1.050 173 S CB -0.313 63.105 63.200 0.364 0.000 0.901 173 S HN 0.785 nan 8.310 nan 0.000 0.447 174 S N 0.369 116.173 115.700 0.173 0.000 2.515 174 S HA 0.092 4.563 4.470 0.001 0.000 0.231 174 S C 1.557 176.235 174.600 0.130 0.000 0.987 174 S CA 0.608 58.882 58.200 0.124 0.000 0.936 174 S CB -0.207 63.086 63.200 0.155 0.000 0.766 174 S HN 0.292 nan 8.310 nan 0.000 0.528 175 M N 1.106 120.768 119.600 0.104 0.000 2.615 175 M HA 0.266 4.747 4.480 0.001 0.000 0.262 175 M C 1.827 178.150 176.300 0.039 0.000 1.198 175 M CA 0.817 56.175 55.300 0.096 0.000 1.165 175 M CB -0.154 32.463 32.600 0.028 0.000 1.310 175 M HN 0.454 nan 8.290 nan 0.000 0.494 176 V N -4.593 115.317 119.914 -0.007 0.000 3.451 176 V HA 0.514 4.634 4.120 0.001 0.000 0.288 176 V C 1.381 177.427 176.094 -0.079 0.000 1.502 176 V CA 0.635 62.910 62.300 -0.041 0.000 1.026 176 V CB -0.318 31.494 31.823 -0.018 0.000 0.840 176 V HN 0.282 nan 8.190 nan 0.000 0.437 177 G N 0.528 109.279 108.800 -0.082 0.000 3.126 177 G HA2 0.276 4.237 3.960 0.001 0.000 0.224 177 G HA3 0.276 4.237 3.960 0.001 0.000 0.224 177 G C 0.388 175.193 174.900 -0.158 0.000 1.142 177 G CA 0.280 45.330 45.100 -0.084 0.000 0.759 177 G HN 0.356 nan 8.290 nan 0.000 0.550 178 V N 1.905 121.641 119.914 -0.297 0.000 2.415 178 V HA 0.081 4.201 4.120 0.001 0.000 0.267 178 V C 0.341 176.253 176.094 -0.302 0.000 1.042 178 V CA -0.441 61.636 62.300 -0.372 0.000 1.000 178 V CB 0.698 32.094 31.823 -0.712 0.000 1.015 178 V HN 0.417 nan 8.190 nan 0.000 0.478 179 N N 6.577 125.168 118.700 -0.183 0.000 2.807 179 N HA 0.346 5.087 4.740 0.001 0.000 0.259 179 N C -0.995 174.457 175.510 -0.096 0.000 1.149 179 N CA -0.281 52.696 53.050 -0.122 0.000 1.042 179 N CB 0.245 38.681 38.487 -0.085 0.000 1.367 179 N HN 0.579 nan 8.380 nan 0.000 0.516 180 L N 2.875 124.042 121.223 -0.093 0.000 2.401 180 L HA 0.424 4.765 4.340 0.001 0.000 0.266 180 L C -1.560 175.300 176.870 -0.017 0.000 0.991 180 L CA -2.013 52.803 54.840 -0.040 0.000 0.818 180 L CB 2.394 44.447 42.059 -0.009 0.000 1.321 180 L HN 0.239 nan 8.230 nan 0.000 0.413 181 P HA -0.129 nan 4.420 nan 0.000 0.216 181 P C -0.528 176.785 177.300 0.021 0.000 1.153 181 P CA 1.357 64.460 63.100 0.006 0.000 0.858 181 P CB 0.171 31.875 31.700 0.007 0.000 0.789 182 K N 0.645 121.068 120.400 0.039 0.000 2.307 182 K HA 0.339 4.660 4.320 0.001 0.000 0.263 182 K C -0.269 176.397 176.600 0.111 0.000 0.973 182 K CA -0.333 55.989 56.287 0.058 0.000 0.846 182 K CB 2.058 34.587 32.500 0.049 0.000 1.100 182 K HN 0.062 nan 8.250 nan 0.000 0.438 183 K N 1.843 122.321 120.400 0.129 0.000 2.572 183 K HA 0.440 4.761 4.320 0.001 0.000 0.244 183 K C -0.998 175.687 176.600 0.142 0.000 0.965 183 K CA -0.489 55.954 56.287 0.259 0.000 0.943 183 K CB 1.955 34.615 32.500 0.267 0.000 1.154 183 K HN 0.639 nan 8.250 nan 0.000 0.447 184 A N 1.801 124.656 122.820 0.057 0.000 2.340 184 A HA 0.748 5.069 4.320 0.001 0.000 0.331 184 A C 0.090 177.635 177.584 -0.066 0.000 1.140 184 A CA -0.687 51.345 52.037 -0.008 0.000 0.801 184 A CB 1.224 20.204 19.000 -0.033 0.000 1.234 184 A HN 0.695 nan 8.150 nan 0.000 0.469 185 G N 0.393 109.174 108.800 -0.032 0.000 2.403 185 G HA2 0.579 4.539 3.960 0.001 0.000 0.259 185 G HA3 0.579 4.539 3.960 0.001 0.000 0.259 185 G C 0.371 175.225 174.900 -0.075 0.000 1.244 185 G CA 0.440 45.521 45.100 -0.032 0.000 0.849 185 G HN 1.296 nan 8.290 nan 0.000 0.532 186 A N 1.794 124.550 122.820 -0.106 0.000 2.301 186 A HA 0.668 4.988 4.320 0.001 0.000 0.287 186 A C 1.115 178.701 177.584 0.004 0.000 1.274 186 A CA -0.634 51.287 52.037 -0.193 0.000 0.865 186 A CB 0.372 19.222 19.000 -0.251 0.000 1.324 186 A HN 0.694 nan 8.150 nan 0.000 0.508 187 F N -1.431 118.461 119.950 -0.096 0.000 2.216 187 F HA -0.155 4.373 4.527 0.001 0.000 0.300 187 F C 2.056 177.838 175.800 -0.030 0.000 1.085 187 F CA 1.057 59.009 58.000 -0.080 0.000 1.326 187 F CB -0.061 38.891 39.000 -0.080 0.000 1.027 187 F HN 0.463 nan 8.300 nan 0.000 0.497 188 L N 0.094 121.426 121.223 0.182 0.000 2.044 188 L HA -0.174 4.167 4.340 0.001 0.000 0.205 188 L C 2.333 179.262 176.870 0.099 0.000 1.075 188 L CA 1.488 56.409 54.840 0.135 0.000 0.747 188 L CB -0.693 41.448 42.059 0.136 0.000 0.903 188 L HN 0.094 nan 8.230 nan 0.000 0.435 189 M N -0.068 119.605 119.600 0.121 0.000 2.108 189 M HA -0.253 4.228 4.480 0.001 0.000 0.261 189 M C 2.288 178.634 176.300 0.076 0.000 1.066 189 M CA 2.036 57.424 55.300 0.147 0.000 1.107 189 M CB -0.510 32.172 32.600 0.138 0.000 1.356 189 M HN 0.314 nan 8.290 nan 0.000 0.406 190 K N -0.261 120.179 120.400 0.066 0.000 2.002 190 K HA -0.274 4.047 4.320 0.001 0.000 0.209 190 K C 2.207 178.781 176.600 -0.042 0.000 1.048 190 K CA 2.062 58.364 56.287 0.026 0.000 0.930 190 K CB -0.319 32.217 32.500 0.061 0.000 0.714 190 K HN 0.387 nan 8.250 nan 0.000 0.438 191 K N 0.544 120.924 120.400 -0.033 0.000 2.057 191 K HA -0.157 4.164 4.320 0.001 0.000 0.207 191 K C 1.962 178.447 176.600 -0.192 0.000 1.049 191 K CA 1.717 57.959 56.287 -0.076 0.000 0.931 191 K CB 0.064 32.593 32.500 0.048 0.000 0.714 191 K HN 0.197 nan 8.250 nan 0.000 0.440 192 E N 0.664 120.743 120.200 -0.202 0.000 2.051 192 E HA -0.198 4.153 4.350 0.001 0.000 0.192 192 E C 2.145 178.652 176.600 -0.156 0.000 0.991 192 E CA 1.257 57.424 56.400 -0.389 0.000 0.799 192 E CB -0.165 28.979 29.700 -0.927 0.000 0.748 192 E HN 0.394 nan 8.360 nan 0.000 0.449 193 L N 1.200 122.398 121.223 -0.042 0.000 2.156 193 L HA -0.141 4.200 4.340 0.001 0.000 0.208 193 L C 2.159 179.016 176.870 -0.022 0.000 1.095 193 L CA 0.585 55.465 54.840 0.067 0.000 0.770 193 L CB -0.424 41.684 42.059 0.081 0.000 0.914 193 L HN 0.053 nan 8.230 nan 0.000 0.439 194 N N -0.241 118.371 118.700 -0.146 0.000 2.084 194 N HA -0.208 4.533 4.740 0.001 0.000 0.190 194 N C 1.821 177.116 175.510 -0.358 0.000 1.030 194 N CA 1.595 54.486 53.050 -0.264 0.000 0.849 194 N CB -0.399 37.858 38.487 -0.383 0.000 1.012 194 N HN 0.322 nan 8.380 nan 0.000 0.423 195 Y N -0.520 119.555 120.300 -0.374 0.000 2.220 195 Y HA -0.027 4.523 4.550 0.001 0.000 0.291 195 Y C 1.982 177.639 175.900 -0.405 0.000 1.129 195 Y CA 0.826 58.633 58.100 -0.488 0.000 1.161 195 Y CB -0.316 37.626 38.460 -0.863 0.000 0.997 195 Y HN 0.001 nan 8.280 nan 0.000 0.522 196 F N -1.060 118.876 119.950 -0.023 0.000 2.365 196 F HA -0.141 4.386 4.527 0.001 0.000 0.300 196 F C 2.346 178.148 175.800 0.004 0.000 1.090 196 F CA 0.477 58.488 58.000 0.018 0.000 1.408 196 F CB -0.287 38.738 39.000 0.041 0.000 1.060 196 F HN 0.002 nan 8.300 nan 0.000 0.534 197 A N 0.059 122.943 122.820 0.106 0.000 2.070 197 A HA -0.062 4.259 4.320 0.001 0.000 0.220 197 A C 2.339 179.920 177.584 -0.005 0.000 1.159 197 A CA 1.464 53.526 52.037 0.040 0.000 0.656 197 A CB -0.908 18.080 19.000 -0.020 0.000 0.800 197 A HN 0.314 nan 8.150 nan 0.000 0.453 198 A N -0.128 122.663 122.820 -0.048 0.000 1.872 198 A HA 0.245 4.566 4.320 0.001 0.000 0.214 198 A C 2.480 179.976 177.584 -0.145 0.000 1.187 198 A CA 1.795 53.763 52.037 -0.115 0.000 0.614 198 A CB -0.917 18.005 19.000 -0.131 0.000 0.826 198 A HN 0.946 nan 8.150 nan 0.000 0.442 199 A N -0.482 122.321 122.820 -0.028 0.000 1.897 199 A HA 0.307 4.627 4.320 0.001 0.000 0.215 199 A C 2.313 180.035 177.584 0.230 0.000 1.181 199 A CA 1.792 53.886 52.037 0.095 0.000 0.620 199 A CB -0.699 18.539 19.000 0.396 0.000 0.821 199 A HN 1.031 nan 8.150 nan 0.000 0.443 200 A N -1.560 121.371 122.820 0.184 0.000 2.195 200 A HA 0.290 4.611 4.320 0.001 0.000 0.210 200 A C 1.592 179.236 177.584 0.099 0.000 1.165 200 A CA 1.166 53.297 52.037 0.157 0.000 0.806 200 A CB -0.003 19.079 19.000 0.137 0.000 0.847 200 A HN 0.562 nan 8.150 nan 0.000 0.482 201 E N -1.320 118.916 120.200 0.059 0.000 3.249 201 E HA 0.153 4.504 4.350 0.001 0.000 0.184 201 E C -0.236 176.370 176.600 0.009 0.000 1.163 201 E CA 0.391 56.810 56.400 0.032 0.000 1.353 201 E CB 0.840 30.548 29.700 0.014 0.000 1.466 201 E HN 0.290 nan 8.360 nan 0.000 0.502 202 S N 3.204 118.887 115.700 -0.028 0.000 2.078 202 S HA 0.328 4.799 4.470 0.001 0.000 0.168 202 S C -2.516 172.022 174.600 -0.103 0.000 1.542 202 S CA -0.986 57.186 58.200 -0.047 0.000 1.223 202 S CB 0.871 64.042 63.200 -0.047 0.000 1.152 202 S HN 0.140 nan 8.310 nan 0.000 0.452 203 P HA 0.276 nan 4.420 nan 0.000 0.277 203 P C -0.195 176.990 177.300 -0.193 0.000 1.240 203 P CA -0.301 62.612 63.100 -0.312 0.000 0.798 203 P CB 0.852 32.177 31.700 -0.624 0.000 0.979 204 E N 1.920 121.996 120.200 -0.208 0.000 2.374 204 E HA 0.219 4.569 4.350 0.001 0.000 0.260 204 E C 0.135 176.704 176.600 -0.052 0.000 1.101 204 E CA -0.019 56.320 56.400 -0.101 0.000 0.907 204 E CB 0.934 30.582 29.700 -0.087 0.000 1.014 204 E HN 0.382 nan 8.360 nan 0.000 0.427 205 R N 1.448 121.949 120.500 0.001 0.000 2.744 205 R HA 0.396 4.736 4.340 0.001 0.000 0.279 205 R C -2.421 173.903 176.300 0.041 0.000 0.977 205 R CA -1.942 54.188 56.100 0.051 0.000 0.906 205 R CB 1.629 31.964 30.300 0.059 0.000 1.197 205 R HN 0.263 nan 8.270 nan 0.000 0.463 206 P HA -0.015 nan 4.420 nan 0.000 0.269 206 P C -1.231 176.171 177.300 0.170 0.000 1.209 206 P CA 0.122 63.276 63.100 0.090 0.000 0.776 206 P CB 0.424 32.158 31.700 0.055 0.000 0.876 207 F N 3.919 123.865 119.950 -0.007 0.000 2.402 207 F HA 0.478 5.006 4.527 0.002 0.000 0.355 207 F C -0.896 174.896 175.800 -0.013 0.000 1.123 207 F CA -1.437 56.562 58.000 -0.003 0.000 1.021 207 F CB 0.701 39.705 39.000 0.008 0.000 1.160 207 F HN 0.101 nan 8.300 nan 0.000 0.451 208 L N 7.022 128.367 121.223 0.204 0.000 2.307 208 L HA 0.777 5.118 4.340 0.001 0.000 0.284 208 L C -1.101 175.679 176.870 -0.151 0.000 1.023 208 L CA -0.241 54.559 54.840 -0.065 0.000 0.810 208 L CB 1.466 43.505 42.059 -0.032 0.000 1.231 208 L HN 0.600 nan 8.230 nan 0.000 0.423 209 A N 6.524 129.176 122.820 -0.280 0.000 2.287 209 A HA 0.727 5.048 4.320 0.001 0.000 0.317 209 A C -0.701 176.770 177.584 -0.187 0.000 1.220 209 A CA -0.434 51.468 52.037 -0.224 0.000 0.835 209 A CB 0.308 19.128 19.000 -0.300 0.000 1.180 209 A HN 0.705 nan 8.150 nan 0.000 0.500 210 I N 3.906 124.390 120.570 -0.143 0.000 2.359 210 I HA 0.280 4.451 4.170 0.001 0.000 0.284 210 I C -0.853 175.250 176.117 -0.023 0.000 1.018 210 I CA -0.092 61.061 61.300 -0.245 0.000 1.173 210 I CB 0.994 38.640 38.000 -0.591 0.000 1.326 210 I HN 0.472 nan 8.210 nan 0.000 0.462 211 L N 6.229 127.412 121.223 -0.067 0.000 2.305 211 L HA 0.742 5.083 4.340 0.001 0.000 0.284 211 L C 0.523 177.408 176.870 0.026 0.000 1.013 211 L CA -0.330 54.522 54.840 0.021 0.000 0.819 211 L CB 1.634 43.676 42.059 -0.030 0.000 1.227 211 L HN 0.657 nan 8.230 nan 0.000 0.417 212 G N 0.924 109.796 108.800 0.120 0.000 3.251 212 G HA2 0.864 4.825 3.960 0.001 0.000 0.248 212 G HA3 0.864 4.825 3.960 0.001 0.000 0.248 212 G C -0.333 174.638 174.900 0.118 0.000 1.320 212 G CA -0.399 44.780 45.100 0.131 0.000 0.982 212 G HN 0.942 nan 8.290 nan 0.000 0.575 213 G N -2.493 106.393 108.800 0.143 0.000 2.422 213 G HA2 0.443 4.403 3.960 0.001 0.000 0.607 213 G HA3 0.443 4.403 3.960 0.001 0.000 0.607 213 G C 0.558 175.530 174.900 0.121 0.000 1.270 213 G CA 0.595 45.770 45.100 0.125 0.000 0.992 213 G HN 1.765 nan 8.290 nan 0.000 0.499 214 A N -0.308 122.568 122.820 0.095 0.000 1.941 214 A HA 0.527 4.848 4.320 0.001 0.000 0.214 214 A C 1.258 178.882 177.584 0.066 0.000 1.368 214 A CA 1.748 53.835 52.037 0.082 0.000 0.651 214 A CB -0.219 18.804 19.000 0.038 0.000 1.064 214 A HN 0.870 nan 8.150 nan 0.000 0.492 215 K N 0.035 120.458 120.400 0.039 0.000 2.202 215 K HA 0.421 4.741 4.320 0.001 0.000 0.264 215 K C 0.287 176.907 176.600 0.034 0.000 1.010 215 K CA -0.167 56.131 56.287 0.018 0.000 0.940 215 K CB 1.670 34.171 32.500 0.001 0.000 0.983 215 K HN 0.046 nan 8.250 nan 0.000 0.475 216 V N 0.797 120.718 119.914 0.011 0.000 2.908 216 V HA -0.067 4.053 4.120 0.001 0.000 0.240 216 V C 2.053 178.148 176.094 0.002 0.000 1.117 216 V CA 1.429 63.750 62.300 0.035 0.000 1.133 216 V CB -0.184 31.644 31.823 0.009 0.000 0.857 216 V HN 0.944 nan 8.190 nan 0.000 0.478 217 A N 1.642 124.440 122.820 -0.036 0.000 1.917 217 A HA -0.287 4.034 4.320 0.001 0.000 0.219 217 A C 1.925 179.501 177.584 -0.013 0.000 1.182 217 A CA 2.125 54.140 52.037 -0.036 0.000 0.633 217 A CB -0.719 18.252 19.000 -0.048 0.000 0.819 217 A HN 0.743 nan 8.150 nan 0.000 0.448 218 D N -0.899 119.498 120.400 -0.005 0.000 2.363 218 D HA -0.070 4.571 4.640 0.001 0.000 0.226 218 D C 0.984 177.290 176.300 0.010 0.000 1.020 218 D CA 0.809 54.809 54.000 0.001 0.000 0.892 218 D CB -0.141 40.661 40.800 0.003 0.000 0.900 218 D HN 0.521 nan 8.370 nan 0.000 0.531 219 K N -0.091 120.321 120.400 0.019 0.000 2.413 219 K HA 0.172 4.493 4.320 0.001 0.000 0.204 219 K C 1.528 178.149 176.600 0.034 0.000 1.041 219 K CA -0.520 55.784 56.287 0.029 0.000 1.082 219 K CB 0.891 33.418 32.500 0.045 0.000 0.871 219 K HN -0.034 nan 8.250 nan 0.000 0.535 220 I N 1.651 122.236 120.570 0.025 0.000 2.151 220 I HA -0.302 3.869 4.170 0.001 0.000 0.243 220 I C 2.460 178.590 176.117 0.022 0.000 1.080 220 I CA 1.852 63.167 61.300 0.025 0.000 1.339 220 I CB -0.784 37.219 38.000 0.005 0.000 1.039 220 I HN 0.267 nan 8.210 nan 0.000 0.409 221 Q N 0.981 120.789 119.800 0.013 0.000 2.167 221 Q HA -0.179 4.162 4.340 0.001 0.000 0.202 221 Q C 2.073 178.080 176.000 0.012 0.000 0.970 221 Q CA 1.359 57.168 55.803 0.010 0.000 0.855 221 Q CB -0.523 28.218 28.738 0.005 0.000 0.911 221 Q HN 0.464 nan 8.270 nan 0.000 0.438 222 L N -0.376 120.855 121.223 0.013 0.000 2.046 222 L HA -0.050 4.290 4.340 0.001 0.000 0.208 222 L C 1.970 178.848 176.870 0.013 0.000 1.077 222 L CA 1.698 56.546 54.840 0.013 0.000 0.747 222 L CB -0.442 41.626 42.059 0.015 0.000 0.896 222 L HN 0.346 nan 8.230 nan 0.000 0.432 223 I N -0.143 120.440 120.570 0.022 0.000 2.252 223 I HA -0.265 3.906 4.170 0.001 0.000 0.245 223 I C 2.294 178.420 176.117 0.014 0.000 1.102 223 I CA 1.521 62.834 61.300 0.020 0.000 1.385 223 I CB -0.516 37.521 38.000 0.062 0.000 1.064 223 I HN 0.428 nan 8.210 nan 0.000 0.414 224 N N 1.306 120.019 118.700 0.022 0.000 2.120 224 N HA -0.247 4.493 4.740 0.001 0.000 0.188 224 N C 1.643 177.160 175.510 0.011 0.000 1.024 224 N CA 1.796 54.856 53.050 0.017 0.000 0.852 224 N CB -0.225 38.273 38.487 0.018 0.000 1.003 224 N HN 0.172 nan 8.380 nan 0.000 0.424 225 N N -0.636 118.072 118.700 0.012 0.000 2.120 225 N HA -0.059 4.682 4.740 0.001 0.000 0.188 225 N C 1.512 177.029 175.510 0.013 0.000 1.024 225 N CA 1.175 54.236 53.050 0.017 0.000 0.852 225 N CB -0.077 38.423 38.487 0.022 0.000 1.003 225 N HN 0.208 nan 8.380 nan 0.000 0.424 226 M N 0.054 119.650 119.600 -0.006 0.000 2.229 226 M HA -0.038 4.442 4.480 0.001 0.000 0.264 226 M C 1.817 178.071 176.300 -0.077 0.000 1.063 226 M CA 0.872 56.142 55.300 -0.051 0.000 1.114 226 M CB -0.909 31.643 32.600 -0.079 0.000 1.387 226 M HN 0.255 nan 8.290 nan 0.000 0.420 227 L N -0.234 120.962 121.223 -0.045 0.000 2.265 227 L HA -0.209 4.131 4.340 0.001 0.000 0.215 227 L C 1.457 178.315 176.870 -0.020 0.000 1.117 227 L CA 0.762 55.579 54.840 -0.039 0.000 0.782 227 L CB -0.610 41.441 42.059 -0.013 0.000 0.914 227 L HN 0.255 nan 8.230 nan 0.000 0.441 228 D N -0.171 120.228 120.400 -0.002 0.000 2.355 228 D HA -0.048 4.592 4.640 0.001 0.000 0.218 228 D C 1.675 177.997 176.300 0.036 0.000 1.004 228 D CA 0.791 54.802 54.000 0.018 0.000 0.880 228 D CB 0.412 41.228 40.800 0.027 0.000 0.911 228 D HN 0.367 nan 8.370 nan 0.000 0.528 229 K N -0.350 120.067 120.400 0.028 0.000 2.511 229 K HA 0.105 4.425 4.320 0.001 0.000 0.206 229 K C 0.773 177.418 176.600 0.075 0.000 1.333 229 K CA 0.002 56.348 56.287 0.099 0.000 0.957 229 K CB 1.524 34.143 32.500 0.197 0.000 1.172 229 K HN -0.047 nan 8.250 nan 0.000 0.547 230 V N -0.415 119.406 119.914 -0.154 0.000 3.170 230 V HA 0.262 4.382 4.120 0.001 0.000 0.309 230 V C 0.155 176.193 176.094 -0.093 0.000 1.071 230 V CA -0.444 61.678 62.300 -0.298 0.000 1.063 230 V CB 1.467 32.957 31.823 -0.554 0.000 1.123 230 V HN 0.093 nan 8.190 nan 0.000 0.464 231 N N -0.220 118.444 118.700 -0.059 0.000 2.414 231 N HA 0.226 4.966 4.740 0.001 0.000 0.177 231 N C -0.084 175.396 175.510 -0.050 0.000 1.062 231 N CA 0.255 53.296 53.050 -0.015 0.000 0.890 231 N CB 0.376 38.883 38.487 0.034 0.000 1.070 231 N HN 0.834 nan 8.380 nan 0.000 0.454 232 E N 0.067 120.211 120.200 -0.094 0.000 2.383 232 E HA 0.404 4.754 4.350 0.001 0.000 0.275 232 E C -1.403 175.102 176.600 -0.157 0.000 0.918 232 E CA -0.605 55.735 56.400 -0.100 0.000 0.764 232 E CB 2.884 32.539 29.700 -0.074 0.000 1.252 232 E HN -0.068 nan 8.360 nan 0.000 0.449 233 M N 2.953 122.464 119.600 -0.149 0.000 2.238 233 M HA 0.427 4.907 4.480 0.001 0.000 0.278 233 M C -2.025 174.157 176.300 -0.197 0.000 1.040 233 M CA -0.443 54.747 55.300 -0.183 0.000 0.969 233 M CB 1.280 33.778 32.600 -0.170 0.000 1.694 233 M HN 0.537 nan 8.290 nan 0.000 0.472 234 I N 5.625 126.041 120.570 -0.257 0.000 2.342 234 I HA 0.362 4.533 4.170 0.001 0.000 0.291 234 I C -0.632 175.294 176.117 -0.318 0.000 1.010 234 I CA -0.401 60.699 61.300 -0.335 0.000 1.308 234 I CB 1.309 38.959 38.000 -0.584 0.000 1.400 234 I HN 0.643 nan 8.210 nan 0.000 0.488 235 I N 6.283 126.675 120.570 -0.296 0.000 2.405 235 I HA 0.414 4.584 4.170 0.001 0.000 0.280 235 I C 0.515 176.502 176.117 -0.217 0.000 1.027 235 I CA -0.056 61.054 61.300 -0.317 0.000 1.161 235 I CB 1.176 38.834 38.000 -0.569 0.000 1.300 235 I HN 0.668 nan 8.210 nan 0.000 0.463 236 G N 3.128 111.842 108.800 -0.143 0.000 3.209 236 G HA2 0.794 4.754 3.960 0.001 0.000 0.236 236 G HA3 0.794 4.754 3.960 0.001 0.000 0.236 236 G C 0.005 174.930 174.900 0.042 0.000 1.329 236 G CA -0.303 44.789 45.100 -0.012 0.000 1.015 236 G HN 0.850 nan 8.290 nan 0.000 0.571 237 G N -1.371 107.508 108.800 0.131 0.000 2.598 237 G HA2 0.227 4.187 3.960 0.001 0.000 0.244 237 G HA3 0.227 4.187 3.960 0.001 0.000 0.244 237 G C 1.287 176.265 174.900 0.130 0.000 1.302 237 G CA 0.586 45.790 45.100 0.174 0.000 0.903 237 G HN 1.835 nan 8.290 nan 0.000 0.575 238 G N -0.917 108.007 108.800 0.207 0.000 2.443 238 G HA2 0.042 4.002 3.960 0.001 0.000 0.219 238 G HA3 0.042 4.002 3.960 0.001 0.000 0.219 238 G C 1.957 176.991 174.900 0.224 0.000 1.131 238 G CA 1.699 46.983 45.100 0.306 0.000 0.775 238 G HN 0.665 nan 8.290 nan 0.000 0.547 239 M N 0.973 120.655 119.600 0.137 0.000 2.106 239 M HA -0.162 4.319 4.480 0.001 0.000 0.259 239 M C 3.042 179.459 176.300 0.196 0.000 1.068 239 M CA 1.547 56.941 55.300 0.158 0.000 1.100 239 M CB -0.402 32.278 32.600 0.133 0.000 1.351 239 M HN 0.338 nan 8.290 nan 0.000 0.404 240 A N 0.008 122.825 122.820 -0.006 0.000 2.032 240 A HA -0.194 4.127 4.320 0.001 0.000 0.221 240 A C 1.801 179.370 177.584 -0.026 0.000 1.165 240 A CA 1.608 53.596 52.037 -0.083 0.000 0.645 240 A CB -1.178 17.681 19.000 -0.235 0.000 0.807 240 A HN 0.506 nan 8.150 nan 0.000 0.453 241 F N -0.114 119.959 119.950 0.204 0.000 2.293 241 F HA -0.104 4.423 4.527 -0.000 0.000 0.300 241 F C 2.627 178.571 175.800 0.240 0.000 1.086 241 F CA 1.403 59.499 58.000 0.160 0.000 1.375 241 F CB -0.470 38.579 39.000 0.082 0.000 1.045 241 F HN 0.125 nan 8.300 nan 0.000 0.516 242 T N -0.148 114.605 114.554 0.332 0.000 2.857 242 T HA -0.110 4.241 4.350 0.001 0.000 0.266 242 T C 1.619 176.386 174.700 0.112 0.000 1.048 242 T CA 1.119 63.288 62.100 0.115 0.000 1.139 242 T CB -0.414 68.326 68.868 -0.214 0.000 0.874 242 T HN 0.054 nan 8.240 nan 0.000 0.455 243 F N 1.195 121.192 119.950 0.079 0.000 2.113 243 F HA 0.104 4.632 4.527 0.003 0.000 0.297 243 F C 2.105 177.969 175.800 0.108 0.000 1.103 243 F CA 0.778 58.821 58.000 0.071 0.000 1.248 243 F CB -0.649 38.372 39.000 0.035 0.000 0.999 243 F HN 0.061 nan 8.300 nan 0.000 0.475 244 L N -0.367 121.051 121.223 0.325 0.000 2.093 244 L HA -0.197 4.143 4.340 0.001 0.000 0.208 244 L C 2.429 179.434 176.870 0.225 0.000 1.085 244 L CA 1.198 56.192 54.840 0.258 0.000 0.755 244 L CB -0.560 41.662 42.059 0.272 0.000 0.904 244 L HN 0.037 nan 8.230 nan 0.000 0.435 245 K N 0.271 120.826 120.400 0.258 0.000 2.025 245 K HA -0.115 4.206 4.320 0.001 0.000 0.207 245 K C 1.832 178.529 176.600 0.161 0.000 1.049 245 K CA 1.570 57.979 56.287 0.203 0.000 0.933 245 K CB -0.419 32.248 32.500 0.278 0.000 0.714 245 K HN 0.023 nan 8.250 nan 0.000 0.438 246 V N 0.923 120.948 119.914 0.184 0.000 2.283 246 V HA -0.181 3.939 4.120 0.001 0.000 0.243 246 V C 2.328 178.475 176.094 0.088 0.000 1.039 246 V CA 1.784 64.154 62.300 0.116 0.000 1.016 246 V CB -0.403 31.455 31.823 0.058 0.000 0.650 246 V HN 0.259 nan 8.190 nan 0.000 0.449 247 L N 0.242 121.528 121.223 0.106 0.000 2.095 247 L HA -0.058 4.283 4.340 0.001 0.000 0.204 247 L C 1.987 178.914 176.870 0.094 0.000 1.080 247 L CA 1.484 56.385 54.840 0.101 0.000 0.759 247 L CB -0.498 41.642 42.059 0.136 0.000 0.914 247 L HN 0.399 nan 8.230 nan 0.000 0.439 248 N N -1.063 117.702 118.700 0.110 0.000 2.322 248 N HA -0.034 4.706 4.740 0.001 0.000 0.181 248 N C 0.306 175.865 175.510 0.082 0.000 1.088 248 N CA 0.133 53.241 53.050 0.097 0.000 0.885 248 N CB -0.004 38.554 38.487 0.119 0.000 1.013 248 N HN 0.097 nan 8.380 nan 0.000 0.472 249 N N 0.300 119.049 118.700 0.082 0.000 2.780 249 N HA -0.210 4.531 4.740 0.001 0.000 0.248 249 N C -0.583 174.961 175.510 0.056 0.000 1.102 249 N CA 0.195 53.279 53.050 0.056 0.000 0.697 249 N CB -1.465 37.045 38.487 0.037 0.000 1.028 249 N HN 0.387 nan 8.380 nan 0.000 0.554 250 M N 0.474 120.128 119.600 0.088 0.000 2.249 250 M HA 0.027 4.507 4.480 0.001 0.000 0.340 250 M C 0.043 176.375 176.300 0.053 0.000 1.166 250 M CA 0.356 55.713 55.300 0.094 0.000 1.115 250 M CB 0.359 33.053 32.600 0.156 0.000 1.606 250 M HN 0.122 nan 8.290 nan 0.000 0.448 251 E N 5.174 125.396 120.200 0.036 0.000 2.265 251 E HA 0.077 4.428 4.350 0.001 0.000 0.272 251 E C 0.474 177.066 176.600 -0.014 0.000 1.067 251 E CA -0.028 56.372 56.400 -0.000 0.000 0.900 251 E CB 0.359 30.059 29.700 0.000 0.000 1.017 251 E HN 0.692 nan 8.360 nan 0.000 0.431 252 I N 0.292 120.829 120.570 -0.054 0.000 4.025 252 I HA 0.319 4.490 4.170 0.001 0.000 0.336 252 I C 0.920 176.929 176.117 -0.181 0.000 1.390 252 I CA -0.201 61.019 61.300 -0.132 0.000 1.099 252 I CB 0.166 38.108 38.000 -0.097 0.000 1.049 252 I HN 0.674 nan 8.210 nan 0.000 0.394 253 G N 2.863 111.606 108.800 -0.095 0.000 2.596 253 G HA2 -0.418 3.542 3.960 0.001 0.000 0.295 253 G HA3 -0.418 3.542 3.960 0.001 0.000 0.295 253 G C 0.690 175.543 174.900 -0.078 0.000 1.240 253 G CA 1.008 46.077 45.100 -0.053 0.000 0.985 253 G HN 0.693 nan 8.290 nan 0.000 0.555 254 T N -1.526 112.990 114.554 -0.063 0.000 3.235 254 T HA 0.550 4.901 4.350 0.001 0.000 0.251 254 T C 1.044 175.671 174.700 -0.121 0.000 1.060 254 T CA 1.003 63.060 62.100 -0.071 0.000 0.949 254 T CB -0.111 68.731 68.868 -0.043 0.000 1.020 254 T HN 0.879 nan 8.240 nan 0.000 0.564 255 S N 1.757 117.317 115.700 -0.234 0.000 2.566 255 S HA 0.274 4.745 4.470 0.001 0.000 0.280 255 S C 0.575 175.078 174.600 -0.162 0.000 1.343 255 S CA -0.617 57.348 58.200 -0.393 0.000 1.036 255 S CB 0.180 62.729 63.200 -1.084 0.000 0.866 255 S HN 0.482 nan 8.310 nan 0.000 0.526 256 L N 2.439 123.626 121.223 -0.061 0.000 2.525 256 L HA 0.155 4.496 4.340 0.001 0.000 0.278 256 L C -0.312 176.687 176.870 0.214 0.000 1.218 256 L CA 0.473 55.356 54.840 0.072 0.000 0.878 256 L CB -0.254 41.858 42.059 0.089 0.000 1.127 256 L HN 0.572 nan 8.230 nan 0.000 0.492 257 F N 3.232 123.197 119.950 0.025 0.000 2.585 257 F HA 0.276 4.804 4.527 0.002 0.000 0.319 257 F C -0.455 175.356 175.800 0.019 0.000 1.165 257 F CA -0.923 57.102 58.000 0.041 0.000 0.949 257 F CB 1.371 40.380 39.000 0.015 0.000 1.218 257 F HN 0.353 nan 8.300 nan 0.000 0.453 258 D N 4.956 124.955 120.400 -0.667 0.000 2.396 258 D HA 0.093 4.734 4.640 0.001 0.000 0.225 258 D C 0.851 176.724 176.300 -0.712 0.000 1.121 258 D CA 0.208 53.918 54.000 -0.484 0.000 0.853 258 D CB 1.533 42.153 40.800 -0.301 0.000 1.043 258 D HN 0.817 nan 8.370 nan 0.000 0.500 259 E N 3.569 123.561 120.200 -0.347 0.000 2.051 259 E HA -0.172 4.179 4.350 0.001 0.000 0.192 259 E C 1.675 178.199 176.600 -0.128 0.000 0.991 259 E CA 1.737 58.059 56.400 -0.130 0.000 0.799 259 E CB -0.005 29.742 29.700 0.080 0.000 0.748 259 E HN 0.509 nan 8.360 nan 0.000 0.449 260 A N 0.155 122.907 122.820 -0.113 0.000 1.873 260 A HA -0.013 4.307 4.320 0.001 0.000 0.215 260 A C 2.498 180.006 177.584 -0.127 0.000 1.186 260 A CA 1.723 53.707 52.037 -0.088 0.000 0.616 260 A CB -1.363 17.599 19.000 -0.064 0.000 0.823 260 A HN 0.425 nan 8.150 nan 0.000 0.442 261 G N 0.825 109.518 108.800 -0.179 0.000 2.422 261 G HA2 -0.264 3.697 3.960 0.001 0.000 0.218 261 G HA3 -0.264 3.697 3.960 0.001 0.000 0.218 261 G C 1.506 176.242 174.900 -0.274 0.000 1.146 261 G CA 1.451 46.428 45.100 -0.205 0.000 0.769 261 G HN 0.709 nan 8.290 nan 0.000 0.547 262 K N 1.053 121.254 120.400 -0.333 0.000 2.281 262 K HA 0.012 4.332 4.320 0.001 0.000 0.203 262 K C 1.853 178.366 176.600 -0.145 0.000 1.046 262 K CA 1.179 57.301 56.287 -0.276 0.000 0.938 262 K CB -0.255 32.119 32.500 -0.211 0.000 0.737 262 K HN 0.252 nan 8.250 nan 0.000 0.458 263 K N 0.064 120.396 120.400 -0.113 0.000 2.432 263 K HA 0.119 4.440 4.320 0.001 0.000 0.196 263 K C 0.789 177.343 176.600 -0.076 0.000 1.038 263 K CA 0.415 56.663 56.287 -0.066 0.000 0.986 263 K CB 0.181 32.655 32.500 -0.044 0.000 0.782 263 K HN 0.153 nan 8.250 nan 0.000 0.485 264 I N -0.499 120.002 120.570 -0.116 0.000 4.139 264 I HA -0.030 4.141 4.170 0.001 0.000 0.335 264 I C 1.758 177.796 176.117 -0.132 0.000 1.327 264 I CA 0.359 61.600 61.300 -0.098 0.000 1.112 264 I CB -0.305 37.645 38.000 -0.083 0.000 1.058 264 I HN -0.191 nan 8.210 nan 0.000 0.396 265 V N 2.097 121.867 119.914 -0.240 0.000 2.250 265 V HA -0.327 3.794 4.120 0.001 0.000 0.250 265 V C 2.540 178.568 176.094 -0.110 0.000 1.060 265 V CA 2.080 64.171 62.300 -0.348 0.000 1.030 265 V CB -0.637 30.877 31.823 -0.515 0.000 0.643 265 V HN 0.401 nan 8.190 nan 0.000 0.445 266 K N -0.068 120.294 120.400 -0.064 0.000 2.147 266 K HA -0.154 4.167 4.320 0.001 0.000 0.205 266 K C 1.949 178.554 176.600 0.009 0.000 1.049 266 K CA 1.460 57.744 56.287 -0.005 0.000 0.936 266 K CB -0.322 32.176 32.500 -0.003 0.000 0.722 266 K HN 0.526 nan 8.250 nan 0.000 0.446 267 N N 1.052 119.749 118.700 -0.005 0.000 2.188 267 N HA -0.098 4.642 4.740 0.001 0.000 0.184 267 N C 1.928 177.453 175.510 0.026 0.000 1.018 267 N CA 0.973 54.027 53.050 0.007 0.000 0.858 267 N CB -0.107 38.377 38.487 -0.004 0.000 0.989 267 N HN 0.159 nan 8.380 nan 0.000 0.426 268 L N 0.540 121.788 121.223 0.040 0.000 2.056 268 L HA -0.064 4.277 4.340 0.001 0.000 0.207 268 L C 2.357 179.286 176.870 0.097 0.000 1.078 268 L CA 0.820 55.711 54.840 0.085 0.000 0.749 268 L CB -0.355 41.800 42.059 0.161 0.000 0.901 268 L HN 0.086 nan 8.230 nan 0.000 0.433 269 M N -0.642 119.026 119.600 0.114 0.000 2.159 269 M HA -0.166 4.314 4.480 0.001 0.000 0.263 269 M C 2.597 178.932 176.300 0.057 0.000 1.063 269 M CA 1.487 56.847 55.300 0.100 0.000 1.110 269 M CB -1.326 31.341 32.600 0.112 0.000 1.374 269 M HN 0.237 nan 8.290 nan 0.000 0.411 270 S N 0.288 116.015 115.700 0.045 0.000 2.368 270 S HA -0.180 4.290 4.470 0.001 0.000 0.225 270 S C 2.041 176.657 174.600 0.026 0.000 1.030 270 S CA 1.617 59.835 58.200 0.030 0.000 0.999 270 S CB -0.042 63.172 63.200 0.023 0.000 0.844 270 S HN 0.480 nan 8.310 nan 0.000 0.459 271 K N 0.558 120.975 120.400 0.027 0.000 2.057 271 K HA 0.020 4.340 4.320 0.001 0.000 0.206 271 K C 2.201 178.811 176.600 0.017 0.000 1.050 271 K CA 1.176 57.476 56.287 0.021 0.000 0.935 271 K CB -0.576 31.937 32.500 0.022 0.000 0.715 271 K HN 0.378 nan 8.250 nan 0.000 0.439 272 A N 1.075 123.908 122.820 0.021 0.000 1.908 272 A HA -0.154 4.167 4.320 0.001 0.000 0.218 272 A C 2.341 179.930 177.584 0.009 0.000 1.181 272 A CA 2.018 54.060 52.037 0.009 0.000 0.627 272 A CB -0.934 18.073 19.000 0.012 0.000 0.818 272 A HN 0.505 nan 8.150 nan 0.000 0.445 273 A N -0.198 122.632 122.820 0.016 0.000 1.877 273 A HA 0.149 4.470 4.320 0.001 0.000 0.216 273 A C 2.528 180.119 177.584 0.011 0.000 1.186 273 A CA 2.216 54.261 52.037 0.014 0.000 0.620 273 A CB -1.083 17.928 19.000 0.019 0.000 0.822 273 A HN 1.115 nan 8.150 nan 0.000 0.443 274 A N -0.027 122.801 122.820 0.012 0.000 1.930 274 A HA -0.173 4.148 4.320 0.001 0.000 0.217 274 A C 1.801 179.391 177.584 0.010 0.000 1.175 274 A CA 1.555 53.598 52.037 0.011 0.000 0.627 274 A CB -0.749 18.258 19.000 0.012 0.000 0.815 274 A HN 0.722 nan 8.150 nan 0.000 0.443 275 N N -1.022 117.683 118.700 0.009 0.000 2.467 275 N HA 0.208 4.948 4.740 0.001 0.000 0.184 275 N C 0.801 176.315 175.510 0.006 0.000 1.106 275 N CA 0.322 53.377 53.050 0.007 0.000 0.892 275 N CB 0.082 38.572 38.487 0.005 0.000 0.969 275 N HN 0.599 nan 8.380 nan 0.000 0.454 276 G N 1.121 109.923 108.800 0.004 0.000 2.225 276 G HA2 -0.237 3.724 3.960 0.001 0.000 0.264 276 G HA3 -0.237 3.724 3.960 0.001 0.000 0.264 276 G C -0.214 174.684 174.900 -0.004 0.000 1.060 276 G CA -0.192 44.910 45.100 0.003 0.000 0.833 276 G HN 0.126 nan 8.290 nan 0.000 0.498 277 V N 0.438 120.346 119.914 -0.010 0.000 2.407 277 V HA 0.421 4.541 4.120 0.001 0.000 0.278 277 V C 0.813 176.891 176.094 -0.025 0.000 1.037 277 V CA -0.544 61.740 62.300 -0.026 0.000 0.900 277 V CB 1.728 33.528 31.823 -0.039 0.000 0.983 277 V HN 0.430 nan 8.190 nan 0.000 0.459 278 K N 5.585 125.966 120.400 -0.031 0.000 2.276 278 K HA 0.379 4.699 4.320 0.001 0.000 0.285 278 K C -0.770 175.802 176.600 -0.047 0.000 1.062 278 K CA -0.546 55.724 56.287 -0.029 0.000 0.918 278 K CB 0.497 32.983 32.500 -0.024 0.000 1.055 278 K HN 0.488 nan 8.250 nan 0.000 0.477 279 I N 4.173 124.718 120.570 -0.042 0.000 2.331 279 I HA 0.134 4.304 4.170 0.001 0.000 0.292 279 I C -0.024 176.064 176.117 -0.049 0.000 0.998 279 I CA -0.354 60.908 61.300 -0.063 0.000 1.267 279 I CB 1.341 39.308 38.000 -0.054 0.000 1.386 279 I HN 0.599 nan 8.210 nan 0.000 0.476 280 T N 7.818 122.334 114.554 -0.063 0.000 2.772 280 T HA 0.589 4.939 4.350 0.001 0.000 0.288 280 T C 0.084 174.786 174.700 0.003 0.000 0.994 280 T CA -0.336 61.758 62.100 -0.010 0.000 0.951 280 T CB 0.999 69.883 68.868 0.027 0.000 0.933 280 T HN 0.272 nan 8.240 nan 0.000 0.447 281 L N 5.416 126.652 121.223 0.022 0.000 2.334 281 L HA 0.574 4.915 4.340 0.001 0.000 0.270 281 L C -1.795 175.118 176.870 0.072 0.000 1.018 281 L CA -2.547 52.310 54.840 0.029 0.000 0.811 281 L CB 1.688 43.752 42.059 0.008 0.000 1.271 281 L HN 0.375 nan 8.230 nan 0.000 0.443 282 P HA 0.015 nan 4.420 nan 0.000 0.272 282 P C 0.130 177.318 177.300 -0.187 0.000 1.223 282 P CA -0.124 62.911 63.100 -0.109 0.000 0.784 282 P CB 1.306 32.974 31.700 -0.053 0.000 0.923 283 V N -2.434 117.259 119.914 -0.369 0.000 3.604 283 V HA 0.256 4.377 4.120 0.001 0.000 0.277 283 V C 0.071 175.894 176.094 -0.452 0.000 1.399 283 V CA 0.301 62.434 62.300 -0.279 0.000 1.034 283 V CB -0.210 31.509 31.823 -0.173 0.000 0.824 283 V HN 0.593 nan 8.190 nan 0.000 0.439 284 D N -0.469 119.422 120.400 -0.847 0.000 2.599 284 D HA 0.601 5.241 4.640 0.001 0.000 0.252 284 D C -1.161 174.466 176.300 -1.122 0.000 1.232 284 D CA -0.563 52.987 54.000 -0.750 0.000 0.819 284 D CB 1.698 42.324 40.800 -0.289 0.000 1.401 284 D HN 0.079 nan 8.370 nan 0.000 0.429 285 F N -1.230 118.788 119.950 0.114 0.000 2.685 285 F HA 0.577 5.105 4.527 0.001 0.000 0.315 285 F C -0.503 175.408 175.800 0.185 0.000 1.126 285 F CA -1.223 56.887 58.000 0.183 0.000 0.950 285 F CB 2.080 41.255 39.000 0.292 0.000 1.360 285 F HN 0.117 nan 8.300 nan 0.000 0.469 286 V N 1.291 121.475 119.914 0.451 0.000 2.347 286 V HA 0.513 4.633 4.120 0.001 0.000 0.280 286 V C -0.125 176.247 176.094 0.464 0.000 1.021 286 V CA -0.592 61.949 62.300 0.400 0.000 0.847 286 V CB 1.420 33.487 31.823 0.408 0.000 0.990 286 V HN 0.884 nan 8.190 nan 0.000 0.444 287 T N 2.412 117.223 114.554 0.430 0.000 2.944 287 T HA 0.904 5.255 4.350 0.001 0.000 0.284 287 T C -0.263 174.785 174.700 0.580 0.000 1.010 287 T CA -0.492 61.882 62.100 0.456 0.000 1.025 287 T CB 2.118 71.249 68.868 0.437 0.000 1.079 287 T HN 1.048 nan 8.240 nan 0.000 0.516 288 A N 1.038 124.124 122.820 0.444 0.000 2.486 288 A HA 0.574 4.895 4.320 0.001 0.000 0.300 288 A C 0.585 177.973 177.584 -0.328 0.000 1.048 288 A CA -0.565 51.561 52.037 0.149 0.000 0.696 288 A CB 1.382 20.359 19.000 -0.040 0.000 1.278 288 A HN 0.904 nan 8.150 nan 0.000 0.405 289 D N 1.137 120.943 120.400 -0.991 0.000 2.371 289 D HA 0.003 4.644 4.640 0.001 0.000 0.221 289 D C 0.287 176.225 176.300 -0.604 0.000 0.986 289 D CA 0.963 54.108 54.000 -1.425 0.000 0.899 289 D CB -0.011 39.886 40.800 -1.505 0.000 0.902 289 D HN 0.703 nan 8.370 nan 0.000 0.530 290 K N -2.117 118.083 120.400 -0.333 0.000 2.660 290 K HA 0.231 4.551 4.320 0.001 0.000 0.285 290 K C -1.577 175.004 176.600 -0.031 0.000 0.997 290 K CA -0.955 55.247 56.287 -0.142 0.000 0.861 290 K CB 0.019 32.438 32.500 -0.135 0.000 1.469 290 K HN -0.189 nan 8.250 nan 0.000 0.395 291 F N 2.420 122.329 119.950 -0.068 0.000 2.679 291 F HA 0.284 4.812 4.527 0.002 0.000 0.351 291 F C -0.791 175.035 175.800 0.043 0.000 1.279 291 F CA 0.429 58.470 58.000 0.068 0.000 1.227 291 F CB -0.306 38.762 39.000 0.113 0.000 1.623 291 F HN 0.707 nan 8.300 nan 0.000 0.666 292 D N 1.681 121.819 120.400 -0.437 0.000 2.859 292 D HA 0.102 4.743 4.640 0.001 0.000 0.223 292 D C 0.689 176.276 176.300 -1.188 0.000 1.218 292 D CA -0.447 53.081 54.000 -0.787 0.000 0.850 292 D CB 1.305 41.884 40.800 -0.368 0.000 1.656 292 D HN 0.371 nan 8.370 nan 0.000 0.484 293 E N 0.877 120.024 120.200 -1.754 0.000 2.160 293 E HA -0.202 4.149 4.350 0.001 0.000 0.195 293 E C 0.498 176.804 176.600 -0.491 0.000 0.991 293 E CA 1.301 56.845 56.400 -1.426 0.000 0.810 293 E CB 0.275 29.206 29.700 -1.283 0.000 0.742 293 E HN 0.420 nan 8.360 nan 0.000 0.466 294 Q N -0.372 119.202 119.800 -0.377 0.000 2.172 294 Q HA 0.297 4.637 4.340 0.001 0.000 0.217 294 Q C -0.189 175.739 176.000 -0.120 0.000 0.832 294 Q CA 0.135 55.820 55.803 -0.198 0.000 1.010 294 Q CB 1.166 29.799 28.738 -0.175 0.000 1.133 294 Q HN 0.169 nan 8.270 nan 0.000 0.489 295 A N 1.590 124.355 122.820 -0.092 0.000 2.483 295 A HA 0.105 4.426 4.320 0.001 0.000 0.238 295 A C 0.250 177.838 177.584 0.006 0.000 1.070 295 A CA -0.023 51.973 52.037 -0.069 0.000 0.770 295 A CB 0.328 19.276 19.000 -0.087 0.000 1.008 295 A HN 0.144 nan 8.150 nan 0.000 0.497 296 K N 0.581 120.947 120.400 -0.056 0.000 2.448 296 K HA 0.232 4.552 4.320 0.001 0.000 0.278 296 K C 0.095 176.800 176.600 0.175 0.000 1.009 296 K CA 0.473 56.787 56.287 0.046 0.000 0.995 296 K CB 0.203 32.735 32.500 0.053 0.000 0.917 296 K HN 0.650 nan 8.250 nan 0.000 0.481 297 I N -1.664 119.081 120.570 0.292 0.000 2.822 297 I HA 0.756 4.926 4.170 0.001 0.000 0.312 297 I C 0.220 176.627 176.117 0.483 0.000 1.011 297 I CA -0.560 61.002 61.300 0.437 0.000 1.105 297 I CB 2.107 40.276 38.000 0.283 0.000 1.291 297 I HN 0.594 nan 8.210 nan 0.000 0.474 298 G N 2.812 111.887 108.800 0.457 0.000 2.815 298 G HA2 0.637 4.597 3.960 0.001 0.000 0.305 298 G HA3 0.637 4.597 3.960 0.001 0.000 0.305 298 G C -1.944 173.052 174.900 0.160 0.000 1.277 298 G CA -0.733 44.472 45.100 0.176 0.000 0.795 298 G HN 0.896 nan 8.290 nan 0.000 0.528 299 Q N -1.710 118.125 119.800 0.059 0.000 2.456 299 Q HA 0.805 5.146 4.340 0.001 0.000 0.284 299 Q C -1.071 174.975 176.000 0.077 0.000 1.061 299 Q CA -1.126 54.736 55.803 0.100 0.000 0.799 299 Q CB 2.513 31.290 28.738 0.065 0.000 1.445 299 Q HN 1.539 nan 8.270 nan 0.000 0.411 300 A N 0.614 123.529 122.820 0.159 0.000 2.601 300 A HA 0.853 5.174 4.320 0.001 0.000 0.291 300 A C -0.953 176.778 177.584 0.245 0.000 1.075 300 A CA -0.111 52.032 52.037 0.178 0.000 0.671 300 A CB 1.726 20.849 19.000 0.206 0.000 1.277 300 A HN 0.987 nan 8.150 nan 0.000 0.417 301 T N -2.145 112.538 114.554 0.215 0.000 2.907 301 T HA 0.575 4.926 4.350 0.001 0.000 0.290 301 T C 1.144 176.022 174.700 0.297 0.000 1.066 301 T CA 0.053 62.260 62.100 0.179 0.000 1.012 301 T CB 0.710 69.615 68.868 0.062 0.000 1.184 301 T HN 1.865 nan 8.240 nan 0.000 0.522 302 V N -0.523 119.567 119.914 0.292 0.000 2.407 302 V HA 0.036 4.157 4.120 0.001 0.000 0.248 302 V C 2.813 179.010 176.094 0.171 0.000 1.055 302 V CA 1.825 64.307 62.300 0.303 0.000 1.049 302 V CB -1.973 29.997 31.823 0.245 0.000 0.662 302 V HN 1.049 nan 8.190 nan 0.000 0.455 303 A N 1.606 124.495 122.820 0.115 0.000 1.872 303 A HA -0.108 4.213 4.320 0.001 0.000 0.214 303 A C 2.598 180.220 177.584 0.064 0.000 1.187 303 A CA 2.283 54.365 52.037 0.074 0.000 0.614 303 A CB -0.970 18.059 19.000 0.048 0.000 0.826 303 A HN 0.877 nan 8.150 nan 0.000 0.442 304 S N -1.155 114.585 115.700 0.067 0.000 2.402 304 S HA 0.351 4.821 4.470 0.001 0.000 0.229 304 S C 1.301 175.928 174.600 0.046 0.000 1.021 304 S CA 1.197 59.423 58.200 0.044 0.000 0.974 304 S CB -1.025 62.196 63.200 0.035 0.000 0.800 304 S HN 2.178 nan 8.310 nan 0.000 0.484 305 G N 0.492 109.342 108.800 0.083 0.000 2.795 305 G HA2 -0.107 3.854 3.960 0.001 0.000 0.664 305 G HA3 -0.107 3.854 3.960 0.001 0.000 0.664 305 G C -0.748 174.176 174.900 0.041 0.000 1.381 305 G CA -0.386 44.753 45.100 0.066 0.000 0.853 305 G HN 0.596 nan 8.290 nan 0.000 0.545 306 I N 2.005 122.579 120.570 0.006 0.000 2.354 306 I HA 0.336 4.507 4.170 0.001 0.000 0.292 306 I C -1.847 174.256 176.117 -0.024 0.000 0.989 306 I CA -2.154 59.134 61.300 -0.019 0.000 1.188 306 I CB 2.125 40.085 38.000 -0.067 0.000 1.342 306 I HN 0.266 nan 8.210 nan 0.000 0.457 307 P HA 0.034 nan 4.420 nan 0.000 0.267 307 P C -0.454 176.901 177.300 0.091 0.000 1.200 307 P CA -0.303 62.766 63.100 -0.053 0.000 0.772 307 P CB 0.466 32.004 31.700 -0.271 0.000 0.855 308 A N 2.629 125.498 122.820 0.081 0.000 2.565 308 A HA 0.374 4.695 4.320 0.001 0.000 0.237 308 A C 1.649 179.350 177.584 0.194 0.000 1.053 308 A CA 0.966 53.060 52.037 0.096 0.000 0.755 308 A CB -1.413 17.622 19.000 0.058 0.000 0.980 308 A HN 0.886 nan 8.150 nan 0.000 0.506 309 G N 1.173 110.049 108.800 0.127 0.000 2.383 309 G HA2 -0.273 3.688 3.960 0.001 0.000 0.229 309 G HA3 -0.273 3.688 3.960 0.001 0.000 0.229 309 G C 0.114 175.058 174.900 0.073 0.000 1.089 309 G CA 0.385 45.541 45.100 0.094 0.000 0.640 309 G HN 0.857 nan 8.290 nan 0.000 0.510 310 W N 2.113 123.393 121.300 -0.033 0.000 2.215 310 W HA 0.741 5.401 4.660 0.000 0.000 0.342 310 W C 0.983 177.451 176.519 -0.085 0.000 1.237 310 W CA -0.051 57.274 57.345 -0.033 0.000 1.283 310 W CB 0.527 29.980 29.460 -0.011 0.000 1.131 310 W HN 0.432 nan 8.180 nan 0.000 0.606 311 M N 1.313 120.985 119.600 0.120 0.000 2.518 311 M HA 0.735 5.216 4.480 0.001 0.000 0.300 311 M C -0.032 176.238 176.300 -0.050 0.000 1.175 311 M CA -1.014 54.249 55.300 -0.063 0.000 0.890 311 M CB 1.849 34.402 32.600 -0.079 0.000 1.710 311 M HN 0.495 nan 8.290 nan 0.000 0.453 312 G N 2.606 111.234 108.800 -0.287 0.000 2.351 312 G HA2 0.524 4.485 3.960 0.001 0.000 0.287 312 G HA3 0.524 4.485 3.960 0.001 0.000 0.287 312 G C 0.074 175.105 174.900 0.219 0.000 1.159 312 G CA -0.670 44.433 45.100 0.006 0.000 0.929 312 G HN 0.841 nan 8.290 nan 0.000 0.435 313 L N 1.394 122.761 121.223 0.239 0.000 2.664 313 L HA 0.332 4.673 4.340 0.001 0.000 0.233 313 L C 0.208 177.300 176.870 0.369 0.000 1.113 313 L CA 0.111 55.062 54.840 0.185 0.000 0.896 313 L CB 0.393 42.250 42.059 -0.338 0.000 1.163 313 L HN 0.416 nan 8.230 nan 0.000 0.497 314 D N -1.027 119.662 120.400 0.482 0.000 2.623 314 D HA 0.217 4.858 4.640 0.001 0.000 0.241 314 D C -0.833 175.738 176.300 0.451 0.000 1.241 314 D CA -0.524 53.752 54.000 0.460 0.000 0.788 314 D CB 1.812 42.890 40.800 0.462 0.000 1.413 314 D HN 0.038 nan 8.370 nan 0.000 0.429 315 C N 0.661 120.153 119.300 0.318 0.000 2.580 315 C HA 0.995 5.455 4.460 0.001 0.000 0.371 315 C C 1.146 176.158 174.990 0.037 0.000 1.308 315 C CA 0.002 59.094 59.018 0.123 0.000 2.428 315 C CB 0.143 27.877 27.740 -0.011 0.000 2.529 315 C HN 0.499 nan 8.230 nan 0.000 0.657 316 G N 0.667 109.386 108.800 -0.134 0.000 2.642 316 G HA2 0.613 4.573 3.960 0.001 0.000 0.291 316 G HA3 0.613 4.573 3.960 0.001 0.000 0.291 316 G C -1.723 173.094 174.900 -0.137 0.000 1.345 316 G CA -0.669 44.377 45.100 -0.091 0.000 1.043 316 G HN 0.535 nan 8.290 nan 0.000 0.528 317 P HA -0.071 nan 4.420 nan 0.000 0.215 317 P C 1.502 178.713 177.300 -0.148 0.000 1.157 317 P CA 1.160 64.198 63.100 -0.103 0.000 0.863 317 P CB 0.194 31.854 31.700 -0.066 0.000 0.787 318 K N 0.016 120.319 120.400 -0.161 0.000 2.097 318 K HA -0.003 4.318 4.320 0.001 0.000 0.206 318 K C 2.276 178.720 176.600 -0.260 0.000 1.049 318 K CA 1.092 57.274 56.287 -0.174 0.000 0.933 318 K CB -1.209 31.200 32.500 -0.150 0.000 0.717 318 K HN 0.129 nan 8.250 nan 0.000 0.442 319 S N 0.950 116.427 115.700 -0.372 0.000 2.383 319 S HA -0.059 4.412 4.470 0.001 0.000 0.227 319 S C 2.102 176.230 174.600 -0.788 0.000 1.026 319 S CA 1.077 58.902 58.200 -0.624 0.000 0.981 319 S CB -0.116 62.653 63.200 -0.719 0.000 0.818 319 S HN 0.234 nan 8.310 nan 0.000 0.472 320 S N 1.654 117.065 115.700 -0.481 0.000 2.399 320 S HA -0.038 4.432 4.470 0.001 0.000 0.231 320 S C 2.222 176.715 174.600 -0.179 0.000 1.022 320 S CA 0.922 58.946 58.200 -0.294 0.000 0.983 320 S CB -0.426 62.690 63.200 -0.140 0.000 0.803 320 S HN 0.605 nan 8.310 nan 0.000 0.480 321 A N 2.108 124.824 122.820 -0.173 0.000 1.858 321 A HA -0.106 4.214 4.320 0.001 0.000 0.216 321 A C 2.108 179.642 177.584 -0.083 0.000 1.190 321 A CA 1.215 53.189 52.037 -0.105 0.000 0.617 321 A CB -0.384 18.558 19.000 -0.097 0.000 0.827 321 A HN 0.247 nan 8.150 nan 0.000 0.443 322 K N -0.879 119.448 120.400 -0.121 0.000 2.057 322 K HA -0.135 4.185 4.320 0.001 0.000 0.207 322 K C 1.907 178.553 176.600 0.076 0.000 1.049 322 K CA 1.351 57.610 56.287 -0.046 0.000 0.931 322 K CB -0.612 31.846 32.500 -0.070 0.000 0.714 322 K HN 0.614 nan 8.250 nan 0.000 0.440 323 Y N 1.248 121.484 120.300 -0.106 0.000 2.145 323 Y HA -0.154 4.396 4.550 0.000 0.000 0.286 323 Y C 2.846 178.670 175.900 -0.127 0.000 1.145 323 Y CA 0.623 58.643 58.100 -0.133 0.000 1.148 323 Y CB -1.213 37.154 38.460 -0.155 0.000 0.981 323 Y HN 0.068 nan 8.280 nan 0.000 0.507 324 S N -0.226 115.515 115.700 0.069 0.000 2.383 324 S HA -0.208 4.262 4.470 0.001 0.000 0.229 324 S C 1.890 176.485 174.600 -0.009 0.000 1.030 324 S CA 1.587 59.788 58.200 0.002 0.000 1.002 324 S CB -0.205 62.986 63.200 -0.015 0.000 0.829 324 S HN 0.559 nan 8.310 nan 0.000 0.467 325 E N 0.505 120.702 120.200 -0.004 0.000 2.110 325 E HA -0.065 4.285 4.350 0.001 0.000 0.193 325 E C 2.356 178.949 176.600 -0.012 0.000 0.988 325 E CA 0.991 57.384 56.400 -0.010 0.000 0.804 325 E CB -0.275 29.418 29.700 -0.012 0.000 0.745 325 E HN 0.637 nan 8.360 nan 0.000 0.458 326 A N 0.775 123.588 122.820 -0.011 0.000 1.898 326 A HA -0.120 4.200 4.320 0.001 0.000 0.216 326 A C 2.473 180.033 177.584 -0.040 0.000 1.181 326 A CA 0.976 52.996 52.037 -0.030 0.000 0.620 326 A CB -0.573 18.397 19.000 -0.050 0.000 0.819 326 A HN 0.112 nan 8.150 nan 0.000 0.442 327 V N 0.004 119.887 119.914 -0.052 0.000 2.343 327 V HA -0.259 3.862 4.120 0.001 0.000 0.247 327 V C 3.043 179.121 176.094 -0.026 0.000 1.051 327 V CA 1.898 64.166 62.300 -0.053 0.000 1.036 327 V CB -1.185 30.593 31.823 -0.074 0.000 0.654 327 V HN 0.608 nan 8.190 nan 0.000 0.451 328 A N -0.175 122.633 122.820 -0.020 0.000 1.978 328 A HA -0.220 4.100 4.320 0.001 0.000 0.220 328 A C 2.347 179.927 177.584 -0.007 0.000 1.170 328 A CA 1.709 53.739 52.037 -0.012 0.000 0.636 328 A CB -0.449 18.544 19.000 -0.013 0.000 0.810 328 A HN 0.540 nan 8.150 nan 0.000 0.448 329 R N -0.608 119.888 120.500 -0.007 0.000 2.240 329 R HA 0.225 4.565 4.340 0.001 0.000 0.203 329 R C 0.841 177.146 176.300 0.009 0.000 1.011 329 R CA 0.409 56.508 56.100 -0.001 0.000 1.007 329 R CB -0.210 30.088 30.300 -0.003 0.000 0.911 329 R HN 0.453 nan 8.270 nan 0.000 0.468 330 A N 1.250 124.076 122.820 0.011 0.000 2.354 330 A HA 0.163 4.484 4.320 0.001 0.000 0.269 330 A C 0.406 178.008 177.584 0.031 0.000 1.109 330 A CA -0.171 51.886 52.037 0.033 0.000 0.800 330 A CB 0.639 19.664 19.000 0.041 0.000 1.045 330 A HN 0.145 nan 8.150 nan 0.000 0.489 331 K N -0.068 120.355 120.400 0.038 0.000 2.354 331 K HA 0.116 4.437 4.320 0.001 0.000 0.194 331 K C 0.334 176.940 176.600 0.010 0.000 1.038 331 K CA 0.390 56.687 56.287 0.017 0.000 1.052 331 K CB 0.544 33.047 32.500 0.006 0.000 0.861 331 K HN 0.795 nan 8.250 nan 0.000 0.535 332 Q N 0.965 120.790 119.800 0.042 0.000 2.315 332 Q HA 0.459 4.800 4.340 0.001 0.000 0.273 332 Q C -1.765 174.351 176.000 0.194 0.000 1.053 332 Q CA -0.508 55.306 55.803 0.019 0.000 0.817 332 Q CB 1.769 30.385 28.738 -0.203 0.000 1.326 332 Q HN 0.026 nan 8.270 nan 0.000 0.423 333 I N 2.756 123.430 120.570 0.172 0.000 2.619 333 I HA 0.480 4.651 4.170 0.001 0.000 0.292 333 I C -1.051 175.228 176.117 0.270 0.000 1.100 333 I CA -1.073 60.365 61.300 0.230 0.000 1.043 333 I CB 2.405 40.463 38.000 0.097 0.000 1.239 333 I HN 0.331 nan 8.210 nan 0.000 0.420 334 V N 4.770 124.887 119.914 0.338 0.000 2.444 334 V HA 0.364 4.485 4.120 0.001 0.000 0.294 334 V C -1.376 174.886 176.094 0.279 0.000 1.022 334 V CA -0.389 62.103 62.300 0.320 0.000 0.850 334 V CB 2.073 34.145 31.823 0.414 0.000 0.992 334 V HN 0.627 nan 8.190 nan 0.000 0.426 335 W N 6.374 127.708 121.300 0.057 0.000 2.411 335 W HA 0.501 5.162 4.660 0.001 0.000 0.317 335 W C -0.503 176.029 176.519 0.021 0.000 1.030 335 W CA -1.290 56.061 57.345 0.010 0.000 1.239 335 W CB 1.185 30.638 29.460 -0.012 0.000 1.304 335 W HN 0.530 nan 8.180 nan 0.000 0.437 336 N N 4.280 123.214 118.700 0.391 0.000 2.617 336 N HA 0.455 5.195 4.740 0.001 0.000 0.263 336 N C -0.596 174.997 175.510 0.138 0.000 1.074 336 N CA 0.244 53.379 53.050 0.142 0.000 0.841 336 N CB 1.149 39.711 38.487 0.125 0.000 1.221 336 N HN 0.719 nan 8.380 nan 0.000 0.529 337 G N 3.154 111.945 108.800 -0.016 0.000 3.444 337 G HA2 -0.140 3.821 3.960 0.001 0.000 0.685 337 G HA3 -0.140 3.821 3.960 0.001 0.000 0.685 337 G C -3.215 171.805 174.900 0.201 0.000 1.145 337 G CA -1.065 44.061 45.100 0.042 0.000 0.973 337 G HN 0.322 nan 8.290 nan 0.000 0.525 338 P HA 0.247 nan 4.420 nan 0.000 0.270 338 P C 1.397 178.938 177.300 0.401 0.000 1.227 338 P CA 0.303 63.576 63.100 0.289 0.000 0.788 338 P CB 0.801 32.574 31.700 0.121 0.000 0.926 339 V N -1.362 118.824 119.914 0.453 0.000 3.633 339 V HA 0.477 4.597 4.120 0.001 0.000 0.283 339 V C 0.591 176.900 176.094 0.357 0.000 1.305 339 V CA 0.994 63.503 62.300 0.348 0.000 1.153 339 V CB -0.785 31.237 31.823 0.332 0.000 0.950 339 V HN 0.620 nan 8.190 nan 0.000 0.432 340 G N -0.947 108.087 108.800 0.391 0.000 2.548 340 G HA2 0.461 4.421 3.960 0.001 0.000 0.301 340 G HA3 0.461 4.421 3.960 0.001 0.000 0.301 340 G C -1.134 173.990 174.900 0.374 0.000 1.349 340 G CA -0.221 45.110 45.100 0.385 0.000 0.792 340 G HN 0.158 nan 8.290 nan 0.000 0.481 341 V N 2.492 122.585 119.914 0.297 0.000 2.157 341 V HA 0.105 4.225 4.120 0.001 0.000 0.241 341 V C 1.552 177.700 176.094 0.091 0.000 1.349 341 V CA 0.365 62.705 62.300 0.068 0.000 1.319 341 V CB -1.587 30.179 31.823 -0.095 0.000 1.421 341 V HN 0.638 nan 8.190 nan 0.000 0.501 342 F N 1.593 121.625 119.950 0.137 0.000 2.307 342 F HA -0.120 4.407 4.527 0.001 0.000 0.301 342 F C 1.656 177.520 175.800 0.106 0.000 1.076 342 F CA 1.150 59.266 58.000 0.193 0.000 1.383 342 F CB -0.420 38.675 39.000 0.158 0.000 1.055 342 F HN 0.376 nan 8.300 nan 0.000 0.526 343 E N -0.421 119.259 120.200 -0.866 0.000 2.204 343 E HA -0.105 4.246 4.350 0.001 0.000 0.194 343 E C -0.065 176.513 176.600 -0.036 0.000 0.989 343 E CA 0.888 56.921 56.400 -0.612 0.000 0.824 343 E CB -0.177 28.978 29.700 -0.908 0.000 0.756 343 E HN 0.393 nan 8.360 nan 0.000 0.477 344 W N 0.883 122.174 121.300 -0.016 0.000 2.329 344 W HA 0.270 4.931 4.660 0.000 0.000 0.312 344 W C 1.123 177.697 176.519 0.092 0.000 1.054 344 W CA -1.565 55.821 57.345 0.069 0.000 1.245 344 W CB 1.028 30.604 29.460 0.192 0.000 1.255 344 W HN -0.028 nan 8.180 nan 0.000 0.436 345 E N 3.437 123.787 120.200 0.250 0.000 2.108 345 E HA -0.257 4.094 4.350 0.001 0.000 0.203 345 E C 2.114 178.728 176.600 0.022 0.000 1.022 345 E CA 2.657 59.151 56.400 0.156 0.000 0.823 345 E CB -0.014 29.744 29.700 0.097 0.000 0.744 345 E HN 0.446 nan 8.360 nan 0.000 0.456 346 A N -0.968 121.729 122.820 -0.205 0.000 2.070 346 A HA -0.105 4.216 4.320 0.001 0.000 0.220 346 A C 1.310 178.523 177.584 -0.618 0.000 1.159 346 A CA 1.338 53.050 52.037 -0.541 0.000 0.656 346 A CB -0.490 17.941 19.000 -0.949 0.000 0.800 346 A HN 0.349 nan 8.150 nan 0.000 0.453 347 F N -2.346 117.744 119.950 0.233 0.000 2.764 347 F HA 0.503 5.030 4.527 0.002 0.000 0.310 347 F C 1.484 177.446 175.800 0.271 0.000 1.124 347 F CA 0.283 58.433 58.000 0.251 0.000 1.252 347 F CB 0.465 39.633 39.000 0.280 0.000 1.010 347 F HN 0.148 nan 8.300 nan 0.000 0.518 348 A N -0.687 122.346 122.820 0.355 0.000 2.343 348 A HA 0.118 4.439 4.320 0.001 0.000 0.223 348 A C 1.938 179.694 177.584 0.288 0.000 1.214 348 A CA 0.090 52.378 52.037 0.420 0.000 0.900 348 A CB 0.062 19.371 19.000 0.515 0.000 0.942 348 A HN 0.111 nan 8.150 nan 0.000 0.507 349 Q N 0.176 120.083 119.800 0.179 0.000 2.124 349 Q HA -0.130 4.210 4.340 0.001 0.000 0.202 349 Q C 2.020 178.065 176.000 0.074 0.000 0.977 349 Q CA 1.746 57.592 55.803 0.071 0.000 0.850 349 Q CB -0.938 27.827 28.738 0.045 0.000 0.901 349 Q HN 0.599 nan 8.270 nan 0.000 0.429 350 G N 0.176 109.070 108.800 0.156 0.000 2.402 350 G HA2 -0.220 3.740 3.960 0.001 0.000 0.216 350 G HA3 -0.220 3.740 3.960 0.001 0.000 0.216 350 G C 1.468 176.492 174.900 0.208 0.000 1.162 350 G CA 1.316 46.514 45.100 0.163 0.000 0.777 350 G HN 0.343 nan 8.290 nan 0.000 0.539 351 T N 0.177 114.910 114.554 0.298 0.000 2.777 351 T HA -0.032 4.319 4.350 0.001 0.000 0.266 351 T C 2.267 177.114 174.700 0.244 0.000 1.040 351 T CA 1.393 63.754 62.100 0.434 0.000 1.141 351 T CB -0.081 69.145 68.868 0.596 0.000 0.868 351 T HN 0.278 nan 8.240 nan 0.000 0.444 352 K N 0.760 121.085 120.400 -0.125 0.000 2.025 352 K HA 0.021 4.341 4.320 0.001 0.000 0.207 352 K C 2.544 178.984 176.600 -0.265 0.000 1.049 352 K CA 1.107 57.005 56.287 -0.648 0.000 0.933 352 K CB -0.256 31.798 32.500 -0.742 0.000 0.714 352 K HN 0.265 nan 8.250 nan 0.000 0.438 353 A N 0.973 123.725 122.820 -0.114 0.000 1.902 353 A HA -0.158 4.162 4.320 0.001 0.000 0.217 353 A C 1.987 179.562 177.584 -0.015 0.000 1.181 353 A CA 1.186 53.188 52.037 -0.059 0.000 0.623 353 A CB -0.554 18.427 19.000 -0.031 0.000 0.818 353 A HN 0.316 nan 8.150 nan 0.000 0.443 354 L N -1.157 120.086 121.223 0.033 0.000 2.046 354 L HA -0.115 4.226 4.340 0.001 0.000 0.208 354 L C 2.401 179.284 176.870 0.023 0.000 1.077 354 L CA 2.608 57.429 54.840 -0.031 0.000 0.747 354 L CB -0.682 41.278 42.059 -0.164 0.000 0.896 354 L HN 0.453 nan 8.230 nan 0.000 0.432 355 M N -0.283 119.453 119.600 0.226 0.000 2.108 355 M HA -0.231 4.250 4.480 0.001 0.000 0.261 355 M C 1.746 178.123 176.300 0.129 0.000 1.066 355 M CA 1.840 57.335 55.300 0.325 0.000 1.107 355 M CB -0.736 32.062 32.600 0.330 0.000 1.356 355 M HN 0.281 nan 8.290 nan 0.000 0.406 356 D N -0.034 120.384 120.400 0.031 0.000 2.123 356 D HA -0.171 4.470 4.640 0.001 0.000 0.196 356 D C 1.968 178.273 176.300 0.009 0.000 0.992 356 D CA 1.377 55.378 54.000 0.002 0.000 0.833 356 D CB -0.307 40.470 40.800 -0.038 0.000 0.954 356 D HN 0.453 nan 8.370 nan 0.000 0.455 357 E N 0.300 120.499 120.200 -0.001 0.000 2.072 357 E HA -0.069 4.282 4.350 0.001 0.000 0.191 357 E C 2.474 179.073 176.600 -0.003 0.000 0.985 357 E CA 0.228 56.620 56.400 -0.013 0.000 0.801 357 E CB -0.385 29.295 29.700 -0.034 0.000 0.750 357 E HN 0.173 nan 8.360 nan 0.000 0.452 358 V N 1.134 121.057 119.914 0.015 0.000 2.407 358 V HA -0.192 3.928 4.120 0.001 0.000 0.248 358 V C 2.542 178.668 176.094 0.054 0.000 1.055 358 V CA 1.124 63.450 62.300 0.043 0.000 1.049 358 V CB -0.422 31.477 31.823 0.127 0.000 0.662 358 V HN 0.053 nan 8.190 nan 0.000 0.455 359 V N -0.153 119.799 119.914 0.062 0.000 2.295 359 V HA -0.276 3.845 4.120 0.001 0.000 0.246 359 V C 2.456 178.565 176.094 0.025 0.000 1.049 359 V CA 2.076 64.404 62.300 0.047 0.000 1.024 359 V CB -0.647 31.207 31.823 0.051 0.000 0.648 359 V HN 0.546 nan 8.190 nan 0.000 0.447 360 K N 0.157 120.567 120.400 0.017 0.000 2.097 360 K HA -0.140 4.180 4.320 0.001 0.000 0.206 360 K C 2.282 178.886 176.600 0.006 0.000 1.049 360 K CA 1.446 57.738 56.287 0.008 0.000 0.933 360 K CB -0.415 32.085 32.500 0.001 0.000 0.717 360 K HN 0.483 nan 8.250 nan 0.000 0.442 361 A N 1.221 124.045 122.820 0.007 0.000 1.902 361 A HA -0.154 4.167 4.320 0.001 0.000 0.217 361 A C 2.234 179.823 177.584 0.009 0.000 1.181 361 A CA 2.052 54.092 52.037 0.006 0.000 0.623 361 A CB -0.972 18.030 19.000 0.004 0.000 0.818 361 A HN 0.274 nan 8.150 nan 0.000 0.443 362 T N 0.122 114.684 114.554 0.013 0.000 2.788 362 T HA -0.112 4.239 4.350 0.001 0.000 0.268 362 T C 2.149 176.854 174.700 0.008 0.000 1.044 362 T CA 1.601 63.708 62.100 0.011 0.000 1.139 362 T CB -0.364 68.510 68.868 0.011 0.000 0.867 362 T HN 0.451 nan 8.240 nan 0.000 0.454 363 S N 1.766 117.471 115.700 0.008 0.000 2.400 363 S HA -0.123 4.348 4.470 0.001 0.000 0.232 363 S C 1.884 176.486 174.600 0.004 0.000 1.025 363 S CA 1.154 59.358 58.200 0.006 0.000 0.993 363 S CB -0.156 63.048 63.200 0.006 0.000 0.808 363 S HN 0.648 nan 8.310 nan 0.000 0.478 364 R N 0.513 121.015 120.500 0.003 0.000 2.388 364 R HA 0.482 4.823 4.340 0.001 0.000 0.247 364 R C 1.036 177.337 176.300 0.001 0.000 0.931 364 R CA 0.594 56.695 56.100 0.001 0.000 1.082 364 R CB -0.651 29.649 30.300 0.000 0.000 1.135 364 R HN 0.183 nan 8.270 nan 0.000 0.525 365 G N -0.802 108.000 108.800 0.003 0.000 2.184 365 G HA2 -0.272 3.689 3.960 0.001 0.000 0.206 365 G HA3 -0.272 3.689 3.960 0.001 0.000 0.206 365 G C 0.109 175.011 174.900 0.003 0.000 0.995 365 G CA -0.255 44.847 45.100 0.002 0.000 0.651 365 G HN 0.482 nan 8.290 nan 0.000 0.511 366 C N 1.667 120.971 119.300 0.005 0.000 2.637 366 C HA 0.572 5.032 4.460 0.001 0.000 0.418 366 C C 1.304 176.299 174.990 0.009 0.000 1.319 366 C CA -0.555 58.467 59.018 0.007 0.000 1.949 366 C CB -0.795 26.952 27.740 0.011 0.000 2.639 366 C HN 0.363 nan 8.230 nan 0.000 0.594 367 I N 6.429 127.002 120.570 0.005 0.000 2.322 367 I HA 0.198 4.369 4.170 0.001 0.000 0.292 367 I C 0.681 176.797 176.117 -0.002 0.000 1.060 367 I CA 0.417 61.724 61.300 0.012 0.000 1.309 367 I CB 0.699 38.707 38.000 0.012 0.000 1.415 367 I HN 0.790 nan 8.210 nan 0.000 0.492 368 T N 4.975 119.515 114.554 -0.024 0.000 2.770 368 T HA 0.665 5.015 4.350 0.001 0.000 0.283 368 T C -0.490 174.163 174.700 -0.080 0.000 0.988 368 T CA -0.618 61.477 62.100 -0.008 0.000 0.957 368 T CB 1.109 69.991 68.868 0.024 0.000 0.930 368 T HN 0.285 nan 8.240 nan 0.000 0.443 369 I N 4.491 125.041 120.570 -0.034 0.000 2.355 369 I HA 0.383 4.553 4.170 0.001 0.000 0.288 369 I C -0.446 175.685 176.117 0.023 0.000 0.999 369 I CA -1.177 60.063 61.300 -0.099 0.000 1.163 369 I CB 1.469 39.379 38.000 -0.151 0.000 1.316 369 I HN 0.481 nan 8.210 nan 0.000 0.454 370 I N 5.360 125.902 120.570 -0.046 0.000 2.321 370 I HA 0.333 4.504 4.170 0.001 0.000 0.291 370 I C 0.961 177.074 176.117 -0.007 0.000 0.998 370 I CA -0.235 61.040 61.300 -0.041 0.000 1.227 370 I CB 1.034 38.943 38.000 -0.151 0.000 1.368 370 I HN 0.573 nan 8.210 nan 0.000 0.466 371 G N 4.246 113.077 108.800 0.052 0.000 2.544 371 G HA2 0.413 4.373 3.960 0.001 0.000 0.242 371 G HA3 0.413 4.373 3.960 0.001 0.000 0.242 371 G C 0.477 175.389 174.900 0.022 0.000 1.247 371 G CA -0.300 44.880 45.100 0.134 0.000 0.840 371 G HN 0.783 nan 8.290 nan 0.000 0.578 372 G N -1.013 107.841 108.800 0.091 0.000 2.667 372 G HA2 0.575 4.535 3.960 0.001 0.000 0.250 372 G HA3 0.575 4.535 3.960 0.001 0.000 0.250 372 G C 0.907 175.789 174.900 -0.029 0.000 1.212 372 G CA 0.669 45.792 45.100 0.037 0.000 0.874 372 G HN 1.997 nan 8.290 nan 0.000 0.561 373 G N 0.343 109.118 108.800 -0.041 0.000 2.520 373 G HA2 -0.262 3.698 3.960 0.001 0.000 0.248 373 G HA3 -0.262 3.698 3.960 0.001 0.000 0.248 373 G C 0.819 175.646 174.900 -0.121 0.000 1.161 373 G CA 0.680 45.749 45.100 -0.051 0.000 0.946 373 G HN 0.597 nan 8.290 nan 0.000 0.565 374 D N 0.315 120.635 120.400 -0.133 0.000 2.104 374 D HA -0.058 4.582 4.640 0.001 0.000 0.194 374 D C 2.694 178.622 176.300 -0.620 0.000 0.994 374 D CA 2.367 56.193 54.000 -0.290 0.000 0.830 374 D CB -0.822 39.889 40.800 -0.148 0.000 0.959 374 D HN 0.501 nan 8.370 nan 0.000 0.452 375 T N 0.606 114.835 114.554 -0.541 0.000 2.788 375 T HA -0.088 4.262 4.350 0.001 0.000 0.268 375 T C 2.039 176.410 174.700 -0.548 0.000 1.044 375 T CA 1.437 63.107 62.100 -0.716 0.000 1.139 375 T CB -0.280 68.135 68.868 -0.755 0.000 0.867 375 T HN 0.208 nan 8.240 nan 0.000 0.454 376 A N 1.491 124.094 122.820 -0.361 0.000 1.930 376 A HA -0.088 4.232 4.320 0.001 0.000 0.217 376 A C 2.563 179.983 177.584 -0.273 0.000 1.175 376 A CA 1.834 53.712 52.037 -0.265 0.000 0.627 376 A CB -1.242 17.658 19.000 -0.168 0.000 0.815 376 A HN 0.453 nan 8.150 nan 0.000 0.443 377 T N -0.739 113.636 114.554 -0.297 0.000 2.788 377 T HA -0.192 4.159 4.350 0.001 0.000 0.268 377 T C 1.870 176.331 174.700 -0.398 0.000 1.044 377 T CA 1.588 63.528 62.100 -0.266 0.000 1.139 377 T CB -0.661 68.108 68.868 -0.164 0.000 0.867 377 T HN 0.580 nan 8.240 nan 0.000 0.454 378 C N 0.726 119.671 119.300 -0.592 0.000 2.425 378 C HA -0.066 4.395 4.460 0.001 0.000 0.277 378 C C 3.096 177.812 174.990 -0.456 0.000 1.280 378 C CA -0.129 58.433 59.018 -0.759 0.000 1.744 378 C CB -1.342 25.981 27.740 -0.694 0.000 1.989 378 C HN 0.658 nan 8.230 nan 0.000 0.491 379 C N 0.701 119.837 119.300 -0.275 0.000 2.425 379 C HA -0.060 4.400 4.460 0.001 0.000 0.277 379 C C 3.068 177.993 174.990 -0.107 0.000 1.280 379 C CA 1.273 60.222 59.018 -0.114 0.000 1.744 379 C CB -1.483 26.177 27.740 -0.133 0.000 1.989 379 C HN 0.715 nan 8.230 nan 0.000 0.491 380 A N 0.929 123.646 122.820 -0.172 0.000 1.855 380 A HA -0.182 4.138 4.320 0.001 0.000 0.215 380 A C 2.111 179.604 177.584 -0.151 0.000 1.191 380 A CA 1.713 53.670 52.037 -0.133 0.000 0.613 380 A CB -0.517 18.404 19.000 -0.130 0.000 0.829 380 A HN 0.670 nan 8.150 nan 0.000 0.442 381 K N -1.207 119.016 120.400 -0.295 0.000 2.044 381 K HA -0.186 4.134 4.320 0.001 0.000 0.210 381 K C 1.311 177.765 176.600 -0.243 0.000 1.049 381 K CA 1.643 57.702 56.287 -0.379 0.000 0.927 381 K CB -0.227 31.820 32.500 -0.755 0.000 0.713 381 K HN 0.738 nan 8.250 nan 0.000 0.443 382 W N 1.098 122.405 121.300 0.011 0.000 3.330 382 W HA 0.185 4.845 4.660 0.001 0.000 0.348 382 W C -0.567 175.956 176.519 0.006 0.000 1.205 382 W CA -0.481 56.874 57.345 0.017 0.000 1.841 382 W CB -1.216 28.260 29.460 0.027 0.000 1.084 382 W HN 0.225 nan 8.180 nan 0.000 0.665 383 N N 0.018 118.797 118.700 0.131 0.000 2.714 383 N HA -0.203 4.537 4.740 0.001 0.000 0.253 383 N C 0.421 175.979 175.510 0.080 0.000 1.024 383 N CA 1.246 54.342 53.050 0.078 0.000 0.726 383 N CB -1.558 36.973 38.487 0.073 0.000 0.908 383 N HN 0.123 nan 8.380 nan 0.000 0.542 384 T N -4.530 110.071 114.554 0.077 0.000 3.129 384 T HA 0.227 4.578 4.350 0.001 0.000 0.267 384 T C 1.070 175.778 174.700 0.013 0.000 1.018 384 T CA -0.307 61.832 62.100 0.064 0.000 0.903 384 T CB 0.402 69.337 68.868 0.110 0.000 1.067 384 T HN 0.167 nan 8.240 nan 0.000 0.549 385 E N 2.723 122.915 120.200 -0.014 0.000 2.118 385 E HA -0.156 4.195 4.350 0.001 0.000 0.195 385 E C 1.779 178.354 176.600 -0.042 0.000 0.992 385 E CA 1.662 58.033 56.400 -0.049 0.000 0.804 385 E CB -0.071 29.596 29.700 -0.054 0.000 0.741 385 E HN 0.741 nan 8.360 nan 0.000 0.458 386 D N -0.893 119.496 120.400 -0.018 0.000 2.340 386 D HA -0.050 4.591 4.640 0.001 0.000 0.220 386 D C 0.446 176.743 176.300 -0.004 0.000 1.039 386 D CA 0.337 54.330 54.000 -0.011 0.000 0.866 386 D CB -0.241 40.559 40.800 -0.001 0.000 0.913 386 D HN 0.239 nan 8.370 nan 0.000 0.523 387 N N -0.083 118.617 118.700 -0.001 0.000 2.220 387 N HA 0.085 4.826 4.740 0.001 0.000 0.195 387 N C 0.248 175.761 175.510 0.005 0.000 1.123 387 N CA -0.136 52.920 53.050 0.010 0.000 0.874 387 N CB 1.608 40.112 38.487 0.028 0.000 0.995 387 N HN 0.096 nan 8.380 nan 0.000 0.498 388 V N -2.833 117.071 119.914 -0.017 0.000 3.046 388 V HA 0.456 4.577 4.120 0.001 0.000 0.316 388 V C 0.960 177.005 176.094 -0.081 0.000 1.104 388 V CA -0.726 61.554 62.300 -0.033 0.000 1.006 388 V CB 1.825 33.630 31.823 -0.030 0.000 1.058 388 V HN -0.139 nan 8.190 nan 0.000 0.440 389 S N 0.418 116.051 115.700 -0.111 0.000 2.356 389 S HA -0.069 4.401 4.470 0.001 0.000 0.223 389 S C 0.477 174.860 174.600 -0.362 0.000 1.032 389 S CA 2.119 60.211 58.200 -0.180 0.000 1.005 389 S CB -0.443 62.645 63.200 -0.187 0.000 0.867 389 S HN 1.068 nan 8.310 nan 0.000 0.449 390 H N -0.838 117.891 119.070 -0.569 0.000 2.954 390 H HA 0.564 5.120 4.556 0.001 0.000 0.361 390 H C -1.802 173.308 175.328 -0.363 0.000 1.122 390 H CA -0.564 55.105 56.048 -0.632 0.000 1.217 390 H CB 1.266 30.269 29.762 -1.265 0.000 1.776 390 H HN -0.091 nan 8.280 nan 0.000 0.533 391 V N 4.112 123.488 119.914 -0.897 0.000 2.407 391 V HA 0.316 4.437 4.120 0.001 0.000 0.291 391 V C 0.205 175.862 176.094 -0.729 0.000 1.018 391 V CA -0.733 61.216 62.300 -0.585 0.000 0.842 391 V CB 1.362 32.994 31.823 -0.318 0.000 0.996 391 V HN 0.865 nan 8.190 nan 0.000 0.426 392 S N 2.952 118.398 115.700 -0.424 0.000 2.564 392 S HA 0.147 4.618 4.470 0.001 0.000 0.278 392 S C 1.441 176.048 174.600 0.012 0.000 1.333 392 S CA 0.256 58.400 58.200 -0.093 0.000 1.048 392 S CB 1.098 64.474 63.200 0.294 0.000 0.900 392 S HN 1.018 nan 8.310 nan 0.000 0.505 393 T N 1.560 116.187 114.554 0.122 0.000 3.100 393 T HA 0.280 4.631 4.350 0.001 0.000 0.253 393 T C 0.706 175.549 174.700 0.239 0.000 1.118 393 T CA 0.247 62.444 62.100 0.162 0.000 1.058 393 T CB -0.047 68.935 68.868 0.190 0.000 0.953 393 T HN 0.673 nan 8.240 nan 0.000 0.515 394 G N -0.390 108.635 108.800 0.374 0.000 2.730 394 G HA2 0.551 4.512 3.960 0.001 0.000 0.291 394 G HA3 0.551 4.512 3.960 0.001 0.000 0.291 394 G C 0.765 175.731 174.900 0.111 0.000 1.456 394 G CA -0.239 44.993 45.100 0.220 0.000 0.996 394 G HN 0.211 nan 8.290 nan 0.000 0.528 395 G N 2.203 111.018 108.800 0.025 0.000 2.511 395 G HA2 -0.014 3.946 3.960 0.001 0.000 0.216 395 G HA3 -0.014 3.946 3.960 0.001 0.000 0.216 395 G C 1.824 176.653 174.900 -0.117 0.000 1.218 395 G CA 1.552 46.639 45.100 -0.021 0.000 0.788 395 G HN 0.950 nan 8.290 nan 0.000 0.560 396 G N 0.956 109.630 108.800 -0.209 0.000 2.418 396 G HA2 0.046 4.007 3.960 0.001 0.000 0.217 396 G HA3 0.046 4.007 3.960 0.001 0.000 0.217 396 G C 2.066 176.539 174.900 -0.711 0.000 1.158 396 G CA 1.675 46.542 45.100 -0.388 0.000 0.771 396 G HN 0.713 nan 8.290 nan 0.000 0.545 397 A N 1.346 123.623 122.820 -0.904 0.000 1.877 397 A HA -0.040 4.281 4.320 0.001 0.000 0.216 397 A C 2.771 180.106 177.584 -0.414 0.000 1.186 397 A CA 2.688 54.225 52.037 -0.832 0.000 0.620 397 A CB -0.829 17.510 19.000 -1.102 0.000 0.822 397 A HN 0.759 nan 8.150 nan 0.000 0.443 398 S N -0.382 115.224 115.700 -0.156 0.000 2.402 398 S HA -0.113 4.357 4.470 0.001 0.000 0.229 398 S C 1.832 176.267 174.600 -0.275 0.000 1.021 398 S CA 1.315 59.395 58.200 -0.199 0.000 0.974 398 S CB -0.583 62.652 63.200 0.057 0.000 0.800 398 S HN 0.453 nan 8.310 nan 0.000 0.484 399 L N 2.073 123.190 121.223 -0.176 0.000 2.017 399 L HA 0.020 4.361 4.340 0.001 0.000 0.208 399 L C 2.421 179.212 176.870 -0.131 0.000 1.073 399 L CA 1.888 56.654 54.840 -0.122 0.000 0.745 399 L CB -0.896 41.108 42.059 -0.091 0.000 0.894 399 L HN 0.281 nan 8.230 nan 0.000 0.432 400 E N -0.464 119.639 120.200 -0.163 0.000 2.153 400 E HA -0.224 4.126 4.350 0.001 0.000 0.194 400 E C 2.298 178.832 176.600 -0.109 0.000 0.988 400 E CA 1.395 57.728 56.400 -0.112 0.000 0.811 400 E CB -0.233 29.409 29.700 -0.097 0.000 0.746 400 E HN 0.538 nan 8.360 nan 0.000 0.466 401 L N 0.527 121.646 121.223 -0.173 0.000 2.027 401 L HA -0.180 4.161 4.340 0.001 0.000 0.206 401 L C 2.440 179.235 176.870 -0.125 0.000 1.074 401 L CA 0.909 55.646 54.840 -0.171 0.000 0.745 401 L CB -0.269 41.587 42.059 -0.339 0.000 0.898 401 L HN 0.174 nan 8.230 nan 0.000 0.433 402 L N -0.674 120.456 121.223 -0.154 0.000 2.362 402 L HA -0.170 4.170 4.340 0.001 0.000 0.219 402 L C 2.096 178.964 176.870 -0.003 0.000 1.134 402 L CA 0.860 55.682 54.840 -0.031 0.000 0.807 402 L CB -0.334 41.728 42.059 0.004 0.000 0.927 402 L HN 0.301 nan 8.230 nan 0.000 0.447 403 E N -0.160 120.024 120.200 -0.027 0.000 2.435 403 E HA 0.004 4.354 4.350 0.001 0.000 0.195 403 E C 1.336 177.936 176.600 -0.001 0.000 1.029 403 E CA 0.491 56.885 56.400 -0.011 0.000 0.865 403 E CB 0.194 29.882 29.700 -0.020 0.000 0.833 403 E HN 0.519 nan 8.360 nan 0.000 0.510 404 G N 1.908 110.708 108.800 -0.001 0.000 2.131 404 G HA2 -0.263 3.697 3.960 0.001 0.000 0.223 404 G HA3 -0.263 3.697 3.960 0.001 0.000 0.223 404 G C -0.075 174.828 174.900 0.005 0.000 0.990 404 G CA -0.035 45.072 45.100 0.012 0.000 0.671 404 G HN 0.123 nan 8.290 nan 0.000 0.521 405 K N -0.166 120.229 120.400 -0.008 0.000 2.118 405 K HA 0.630 4.950 4.320 0.001 0.000 0.264 405 K C 0.406 177.004 176.600 -0.004 0.000 1.000 405 K CA -0.820 55.462 56.287 -0.008 0.000 0.929 405 K CB 2.191 34.683 32.500 -0.015 0.000 1.021 405 K HN 0.000 nan 8.250 nan 0.000 0.463 406 V N 3.375 123.289 119.914 0.001 0.000 2.583 406 V HA 0.125 4.246 4.120 0.001 0.000 0.287 406 V C -0.016 176.078 176.094 -0.000 0.000 1.051 406 V CA -0.499 61.804 62.300 0.006 0.000 1.010 406 V CB 0.702 32.529 31.823 0.007 0.000 0.988 406 V HN 0.503 nan 8.190 nan 0.000 0.478 407 L N 7.950 129.176 121.223 0.005 0.000 2.260 407 L HA 0.290 4.630 4.340 0.001 0.000 0.289 407 L C -1.360 175.507 176.870 -0.005 0.000 1.057 407 L CA -1.584 53.253 54.840 -0.005 0.000 0.811 407 L CB 1.386 43.443 42.059 -0.003 0.000 1.184 407 L HN 0.473 nan 8.230 nan 0.000 0.429 408 P HA -0.188 nan 4.420 nan 0.000 0.216 408 P C 1.480 178.775 177.300 -0.009 0.000 1.154 408 P CA 1.363 64.448 63.100 -0.025 0.000 0.865 408 P CB 0.244 31.909 31.700 -0.058 0.000 0.789 409 G N -0.817 107.976 108.800 -0.013 0.000 2.422 409 G HA2 -0.183 3.778 3.960 0.001 0.000 0.218 409 G HA3 -0.183 3.778 3.960 0.001 0.000 0.218 409 G C 1.577 176.512 174.900 0.058 0.000 1.140 409 G CA 0.575 45.690 45.100 0.024 0.000 0.775 409 G HN 0.196 nan 8.290 nan 0.000 0.545 410 V N 0.765 120.710 119.914 0.052 0.000 2.346 410 V HA -0.076 4.045 4.120 0.001 0.000 0.244 410 V C 2.399 178.525 176.094 0.054 0.000 1.037 410 V CA 1.938 64.279 62.300 0.069 0.000 1.029 410 V CB -0.242 31.631 31.823 0.083 0.000 0.663 410 V HN 0.335 nan 8.190 nan 0.000 0.454 411 D N 0.548 120.970 120.400 0.036 0.000 2.182 411 D HA -0.137 4.503 4.640 0.001 0.000 0.201 411 D C 2.000 178.315 176.300 0.025 0.000 0.986 411 D CA 1.353 55.369 54.000 0.026 0.000 0.847 411 D CB -0.048 40.761 40.800 0.015 0.000 0.942 411 D HN 0.393 nan 8.370 nan 0.000 0.467 412 A N -0.413 122.424 122.820 0.029 0.000 2.119 412 A HA 0.077 4.397 4.320 0.001 0.000 0.217 412 A C 0.765 178.375 177.584 0.044 0.000 1.153 412 A CA 0.098 52.149 52.037 0.024 0.000 0.692 412 A CB -0.223 18.786 19.000 0.014 0.000 0.799 412 A HN 0.182 nan 8.150 nan 0.000 0.458 413 L N 0.390 121.655 121.223 0.069 0.000 2.473 413 L HA 0.194 4.534 4.340 0.001 0.000 0.268 413 L C 0.955 177.859 176.870 0.055 0.000 1.215 413 L CA 0.181 55.073 54.840 0.086 0.000 0.823 413 L CB 0.395 42.504 42.059 0.082 0.000 1.099 413 L HN 0.147 nan 8.230 nan 0.000 0.483 414 S N 1.020 116.754 115.700 0.057 0.000 2.584 414 S HA 0.224 4.695 4.470 0.001 0.000 0.270 414 S C 0.046 174.665 174.600 0.031 0.000 1.346 414 S CA -0.489 57.734 58.200 0.038 0.000 1.018 414 S CB 0.210 63.434 63.200 0.040 0.000 0.899 414 S HN 0.599 nan 8.310 nan 0.000 0.542 415 N N -0.479 118.234 118.700 0.023 0.000 2.472 415 N HA 0.596 5.337 4.740 0.001 0.000 0.289 415 N C -0.415 175.105 175.510 0.016 0.000 1.156 415 N CA -0.742 52.319 53.050 0.019 0.000 0.940 415 N CB 1.157 39.653 38.487 0.015 0.000 1.200 415 N HN 0.422 nan 8.380 nan 0.000 0.511 416 V N 0.000 119.922 119.914 0.013 0.000 2.409 416 V HA 0.000 4.121 4.120 0.001 0.000 0.244 416 V CA 0.000 62.306 62.300 0.010 0.000 1.235 416 V CB 0.000 31.828 31.823 0.009 0.000 1.184 416 V HN 0.000 nan 8.190 nan 0.000 0.556