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 2bhx_1_B DATA FIRST_RESID 2 DATA SEQUENCE KQVFNFNAGP SALPKPALER AQKELLNFND TQMSVMELSH RSQSYEEVHE DATA SEQUENCE QAQNLLRELL QIPNDYQILF LQGGASLQFT MLPMNLLTKG TIGNYVLTGS DATA SEQUENCE WSEKALKEAK LLGETHIAAS TKANSYQSIP DFSEFQLNEN DAYLHITSNN DATA SEQUENCE TIYGTQYQNF PEINHAPLIA DMSSDILSRP LKVNQFGMIY AGAQKNLGPS DATA SEQUENCE GVTVVIVKKD LLXXXVEQVP TMLQYATHIK SDSLYNTPPT FSIYMLRNVL DATA SEQUENCE DWIKDLGGAE AIAKQNEEKA KIIYDTIDES NGFYVGHAEK GSRSLMNVTF DATA SEQUENCE NLRNEELNQQ FLAKAKEQGF VGLNGHRSVG GCRASIYNAV PIDACIALRE DATA SEQUENCE LMIQFKENA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.504 176.600 -0.160 0.000 0.988 2 K CA 0.000 56.231 56.287 -0.093 0.000 0.838 2 K CB 0.000 32.454 32.500 -0.077 0.000 1.064 3 Q N 0.548 120.226 119.800 -0.202 0.000 2.279 3 Q HA 0.677 5.022 4.340 0.008 0.000 0.256 3 Q C -0.622 175.038 176.000 -0.567 0.000 0.937 3 Q CA -0.307 55.258 55.803 -0.398 0.000 0.933 3 Q CB 1.715 30.246 28.738 -0.346 0.000 1.189 3 Q HN 0.365 nan 8.270 nan 0.000 0.417 4 V N 4.969 124.430 119.914 -0.755 0.000 2.709 4 V HA 0.523 4.647 4.120 0.008 0.000 0.308 4 V C -1.233 174.338 176.094 -0.872 0.000 1.062 4 V CA -0.705 61.208 62.300 -0.644 0.000 0.901 4 V CB 1.568 33.205 31.823 -0.310 0.000 1.003 4 V HN 0.656 nan 8.190 nan 0.000 0.425 5 F N 2.889 122.701 119.950 -0.231 0.000 2.445 5 F HA 0.455 4.985 4.527 0.005 0.000 0.348 5 F C 0.377 176.143 175.800 -0.057 0.000 1.125 5 F CA -0.584 57.301 58.000 -0.192 0.000 0.983 5 F CB 1.420 40.276 39.000 -0.240 0.000 1.198 5 F HN 0.406 nan 8.300 nan 0.000 0.436 6 N N 3.776 122.441 118.700 -0.058 0.000 2.602 6 N HA 0.169 4.914 4.740 0.008 0.000 0.238 6 N C -0.456 174.952 175.510 -0.170 0.000 1.084 6 N CA -0.223 52.796 53.050 -0.051 0.000 0.952 6 N CB -0.033 38.409 38.487 -0.074 0.000 1.244 6 N HN 0.438 nan 8.380 nan 0.000 0.512 7 F N 0.722 120.744 119.950 0.120 0.000 2.713 7 F HA 0.280 4.811 4.527 0.006 0.000 0.294 7 F C 0.876 176.706 175.800 0.049 0.000 1.152 7 F CA -0.667 57.379 58.000 0.077 0.000 1.385 7 F CB -0.224 38.841 39.000 0.109 0.000 0.981 7 F HN 0.225 nan 8.300 nan 0.000 0.514 8 N N 0.871 119.672 118.700 0.167 0.000 2.407 8 N HA 0.043 4.788 4.740 0.008 0.000 0.250 8 N C 1.036 176.663 175.510 0.194 0.000 1.236 8 N CA 0.454 53.599 53.050 0.157 0.000 0.879 8 N CB 1.219 39.780 38.487 0.123 0.000 1.088 8 N HN 0.265 nan 8.380 nan 0.000 0.450 9 A N 1.022 123.974 122.820 0.221 0.000 2.275 9 A HA 0.404 4.728 4.320 0.008 0.000 0.212 9 A C 0.743 178.579 177.584 0.420 0.000 1.201 9 A CA 0.667 52.898 52.037 0.322 0.000 0.843 9 A CB -0.152 18.997 19.000 0.250 0.000 0.873 9 A HN 0.738 nan 8.150 nan 0.000 0.492 10 G N 0.311 109.273 108.800 0.270 0.000 2.163 10 G HA2 0.354 4.319 3.960 0.008 0.000 0.191 10 G HA3 0.354 4.319 3.960 0.008 0.000 0.191 10 G C -3.001 171.961 174.900 0.103 0.000 1.517 10 G CA -0.760 44.427 45.100 0.145 0.000 1.024 10 G HN 0.117 nan 8.290 nan 0.000 0.664 11 P HA 0.658 nan 4.420 nan 0.000 0.272 11 P C 0.152 177.499 177.300 0.077 0.000 1.254 11 P CA -0.169 62.954 63.100 0.039 0.000 0.795 11 P CB 0.807 32.519 31.700 0.020 0.000 1.022 12 S N -1.499 114.238 115.700 0.061 0.000 2.705 12 S HA 0.673 5.148 4.470 0.008 0.000 0.280 12 S C -0.944 173.678 174.600 0.037 0.000 1.174 12 S CA -0.682 57.584 58.200 0.110 0.000 0.823 12 S CB 1.099 64.453 63.200 0.256 0.000 1.162 12 S HN 0.627 nan 8.310 nan 0.000 0.487 13 A N 0.747 123.583 122.820 0.025 0.000 2.561 13 A HA 0.479 4.804 4.320 0.008 0.000 0.234 13 A C -0.499 177.032 177.584 -0.089 0.000 1.055 13 A CA 0.383 52.391 52.037 -0.049 0.000 0.756 13 A CB -0.559 18.393 19.000 -0.081 0.000 0.986 13 A HN 0.615 nan 8.150 nan 0.000 0.505 14 L N 2.119 123.253 121.223 -0.149 0.000 2.301 14 L HA 0.472 4.817 4.340 0.008 0.000 0.264 14 L C -2.284 174.360 176.870 -0.376 0.000 1.016 14 L CA -2.319 52.377 54.840 -0.240 0.000 0.821 14 L CB 1.956 43.901 42.059 -0.191 0.000 1.346 14 L HN 0.406 nan 8.230 nan 0.000 0.429 15 P HA 0.106 nan 4.420 nan 0.000 0.267 15 P C -0.150 176.850 177.300 -0.499 0.000 1.209 15 P CA -0.192 62.347 63.100 -0.935 0.000 0.763 15 P CB 0.522 31.141 31.700 -1.801 0.000 0.816 16 K N 4.516 124.721 120.400 -0.325 0.000 2.044 16 K HA -0.162 4.163 4.320 0.008 0.000 0.210 16 K C -0.873 175.652 176.600 -0.125 0.000 1.049 16 K CA 1.926 58.114 56.287 -0.166 0.000 0.927 16 K CB -1.741 30.708 32.500 -0.086 0.000 0.713 16 K HN 0.446 nan 8.250 nan 0.000 0.443 17 P HA -0.146 nan 4.420 nan 0.000 0.216 17 P C 1.115 178.393 177.300 -0.037 0.000 1.150 17 P CA 1.571 64.668 63.100 -0.004 0.000 0.837 17 P CB -0.005 31.778 31.700 0.139 0.000 0.786 18 A N -0.907 121.832 122.820 -0.136 0.000 1.930 18 A HA -0.128 4.197 4.320 0.008 0.000 0.217 18 A C 2.201 179.732 177.584 -0.089 0.000 1.175 18 A CA 1.280 53.242 52.037 -0.125 0.000 0.627 18 A CB -1.542 17.333 19.000 -0.208 0.000 0.815 18 A HN 0.124 nan 8.150 nan 0.000 0.443 19 L N -0.926 120.244 121.223 -0.089 0.000 2.072 19 L HA -0.132 4.212 4.340 0.008 0.000 0.205 19 L C 2.584 179.465 176.870 0.019 0.000 1.079 19 L CA 1.259 56.084 54.840 -0.026 0.000 0.752 19 L CB -0.409 41.620 42.059 -0.049 0.000 0.906 19 L HN 0.459 nan 8.230 nan 0.000 0.436 20 E N -0.264 119.937 120.200 0.002 0.000 2.077 20 E HA -0.280 4.075 4.350 0.008 0.000 0.193 20 E C 2.215 178.850 176.600 0.057 0.000 0.989 20 E CA 1.039 57.455 56.400 0.027 0.000 0.800 20 E CB -0.089 29.620 29.700 0.016 0.000 0.746 20 E HN 0.306 nan 8.360 nan 0.000 0.452 21 R N 0.780 121.316 120.500 0.059 0.000 2.081 21 R HA -0.142 4.202 4.340 0.008 0.000 0.235 21 R C 2.265 178.670 176.300 0.174 0.000 1.131 21 R CA 1.326 57.485 56.100 0.097 0.000 0.960 21 R CB -0.210 30.135 30.300 0.075 0.000 0.856 21 R HN 0.140 nan 8.270 nan 0.000 0.436 22 A N 0.850 123.783 122.820 0.188 0.000 1.908 22 A HA -0.261 4.063 4.320 0.008 0.000 0.218 22 A C 2.119 179.852 177.584 0.249 0.000 1.181 22 A CA 1.651 53.889 52.037 0.334 0.000 0.627 22 A CB -0.690 18.517 19.000 0.343 0.000 0.818 22 A HN 0.606 nan 8.150 nan 0.000 0.445 23 Q N -0.271 119.624 119.800 0.157 0.000 2.050 23 Q HA -0.255 4.090 4.340 0.008 0.000 0.202 23 Q C 2.152 178.209 176.000 0.096 0.000 0.980 23 Q CA 2.147 58.014 55.803 0.107 0.000 0.840 23 Q CB -0.190 28.587 28.738 0.066 0.000 0.898 23 Q HN 0.670 nan 8.270 nan 0.000 0.424 24 K N 0.490 120.948 120.400 0.096 0.000 2.063 24 K HA -0.195 4.130 4.320 0.008 0.000 0.208 24 K C 1.256 177.910 176.600 0.091 0.000 1.048 24 K CA 1.866 58.201 56.287 0.079 0.000 0.928 24 K CB -0.016 32.528 32.500 0.074 0.000 0.713 24 K HN 0.427 nan 8.250 nan 0.000 0.442 25 E N 0.364 120.646 120.200 0.137 0.000 2.496 25 E HA -0.008 4.347 4.350 0.008 0.000 0.200 25 E C 1.362 178.046 176.600 0.141 0.000 1.016 25 E CA -0.166 56.320 56.400 0.143 0.000 0.962 25 E CB 0.164 29.984 29.700 0.199 0.000 1.071 25 E HN 0.166 nan 8.360 nan 0.000 0.457 26 L N 0.611 121.901 121.223 0.112 0.000 2.131 26 L HA -0.092 4.253 4.340 0.008 0.000 0.210 26 L C 1.874 178.766 176.870 0.038 0.000 1.092 26 L CA 1.567 56.453 54.840 0.077 0.000 0.759 26 L CB -0.020 42.069 42.059 0.050 0.000 0.903 26 L HN 0.319 nan 8.230 nan 0.000 0.435 27 L N -1.626 119.622 121.223 0.041 0.000 2.463 27 L HA 0.145 4.490 4.340 0.008 0.000 0.219 27 L C 0.310 177.206 176.870 0.044 0.000 1.088 27 L CA 0.089 54.945 54.840 0.026 0.000 0.849 27 L CB -0.096 41.972 42.059 0.015 0.000 1.012 27 L HN 0.266 nan 8.230 nan 0.000 0.468 28 N N 0.201 118.941 118.700 0.067 0.000 2.675 28 N HA 0.117 4.862 4.740 0.008 0.000 0.254 28 N C -1.388 174.182 175.510 0.100 0.000 1.224 28 N CA -0.479 52.612 53.050 0.068 0.000 0.777 28 N CB 0.629 39.136 38.487 0.033 0.000 1.256 28 N HN -0.056 nan 8.380 nan 0.000 0.531 29 F N 3.725 123.670 119.950 -0.009 0.000 2.438 29 F HA 0.353 4.884 4.527 0.007 0.000 0.356 29 F C 1.107 176.917 175.800 0.017 0.000 1.099 29 F CA -0.102 57.894 58.000 -0.007 0.000 1.185 29 F CB 0.438 39.406 39.000 -0.053 0.000 1.115 29 F HN 0.562 nan 8.300 nan 0.000 0.526 30 N N 4.393 122.615 118.700 -0.796 0.000 2.721 30 N HA -0.265 4.480 4.740 0.008 0.000 0.249 30 N C -0.197 175.143 175.510 -0.283 0.000 1.072 30 N CA 1.385 54.019 53.050 -0.692 0.000 0.710 30 N CB -1.184 36.630 38.487 -1.121 0.000 0.993 30 N HN 0.870 nan 8.380 nan 0.000 0.547 31 D N -3.475 116.829 120.400 -0.160 0.000 3.012 31 D HA -0.224 4.420 4.640 0.008 0.000 0.222 31 D C 0.980 177.257 176.300 -0.038 0.000 1.167 31 D CA 1.545 55.500 54.000 -0.074 0.000 0.854 31 D CB -1.677 39.084 40.800 -0.066 0.000 1.107 31 D HN 0.761 nan 8.370 nan 0.000 0.421 32 T N -3.446 111.097 114.554 -0.018 0.000 3.081 32 T HA -0.059 4.295 4.350 0.008 0.000 0.255 32 T C 1.116 175.837 174.700 0.035 0.000 1.113 32 T CA 0.738 62.855 62.100 0.029 0.000 1.082 32 T CB 0.447 69.370 68.868 0.092 0.000 0.939 32 T HN 0.126 nan 8.240 nan 0.000 0.506 33 Q N -0.382 119.437 119.800 0.031 0.000 2.460 33 Q HA -0.130 4.215 4.340 0.008 0.000 0.248 33 Q C -0.301 175.721 176.000 0.038 0.000 0.847 33 Q CA 1.031 56.851 55.803 0.028 0.000 1.214 33 Q CB -2.344 26.404 28.738 0.017 0.000 1.523 33 Q HN 0.667 nan 8.270 nan 0.000 0.602 34 M N -0.670 118.968 119.600 0.062 0.000 2.644 34 M HA 0.439 4.924 4.480 0.008 0.000 0.304 34 M C 0.364 176.713 176.300 0.082 0.000 1.215 34 M CA -0.588 54.747 55.300 0.058 0.000 0.871 34 M CB 2.221 34.856 32.600 0.059 0.000 1.740 34 M HN 0.018 nan 8.290 nan 0.000 0.464 35 S N 0.212 115.932 115.700 0.034 0.000 2.584 35 S HA 0.105 4.580 4.470 0.008 0.000 0.270 35 S C 0.974 175.557 174.600 -0.028 0.000 1.346 35 S CA -0.460 57.745 58.200 0.007 0.000 1.018 35 S CB 1.040 64.210 63.200 -0.049 0.000 0.899 35 S HN 0.615 nan 8.310 nan 0.000 0.542 36 V N 5.308 125.121 119.914 -0.169 0.000 2.568 36 V HA -0.162 3.963 4.120 0.008 0.000 0.253 36 V C 2.042 178.034 176.094 -0.169 0.000 1.072 36 V CA 2.227 64.291 62.300 -0.394 0.000 1.084 36 V CB -0.539 30.684 31.823 -0.999 0.000 0.676 36 V HN 0.944 nan 8.190 nan 0.000 0.469 37 M N -0.940 118.602 119.600 -0.097 0.000 2.549 37 M HA -0.100 4.384 4.480 0.008 0.000 0.260 37 M C 1.507 177.761 176.300 -0.076 0.000 1.076 37 M CA 1.434 56.686 55.300 -0.079 0.000 1.090 37 M CB -0.136 32.379 32.600 -0.141 0.000 1.418 37 M HN 0.411 nan 8.290 nan 0.000 0.486 38 E N -0.086 120.080 120.200 -0.056 0.000 2.498 38 E HA 0.223 4.578 4.350 0.008 0.000 0.203 38 E C -0.221 176.371 176.600 -0.013 0.000 1.013 38 E CA -0.169 56.211 56.400 -0.033 0.000 0.927 38 E CB 0.553 30.242 29.700 -0.019 0.000 1.012 38 E HN 0.419 nan 8.360 nan 0.000 0.482 39 L N 1.051 122.267 121.223 -0.013 0.000 2.357 39 L HA 0.226 4.570 4.340 0.008 0.000 0.273 39 L C 0.638 177.512 176.870 0.007 0.000 1.080 39 L CA -0.613 54.241 54.840 0.022 0.000 0.803 39 L CB 1.343 43.443 42.059 0.069 0.000 1.174 39 L HN -0.075 nan 8.230 nan 0.000 0.443 40 S N 0.877 116.596 115.700 0.031 0.000 2.549 40 S HA -0.030 4.444 4.470 0.008 0.000 0.286 40 S C 1.315 175.939 174.600 0.041 0.000 1.314 40 S CA -0.518 57.704 58.200 0.036 0.000 1.062 40 S CB 0.327 63.523 63.200 -0.006 0.000 0.865 40 S HN 0.760 nan 8.310 nan 0.000 0.498 41 H N 5.019 124.018 119.070 -0.117 0.000 2.559 41 H HA 0.160 4.720 4.556 0.008 0.000 0.273 41 H C 0.962 176.336 175.328 0.077 0.000 1.000 41 H CA 0.450 56.418 56.048 -0.134 0.000 1.195 41 H CB -0.133 29.472 29.762 -0.261 0.000 1.368 41 H HN 0.628 nan 8.280 nan 0.000 0.592 42 R N 1.492 121.774 120.500 -0.364 0.000 2.362 42 R HA 0.104 4.449 4.340 0.008 0.000 0.227 42 R C 0.541 176.804 176.300 -0.063 0.000 0.905 42 R CA 0.356 56.307 56.100 -0.248 0.000 1.067 42 R CB 0.471 30.569 30.300 -0.336 0.000 1.078 42 R HN 0.313 nan 8.270 nan 0.000 0.516 43 S N 0.045 115.754 115.700 0.016 0.000 2.585 43 S HA 0.016 4.491 4.470 0.008 0.000 0.273 43 S C 1.103 175.754 174.600 0.085 0.000 1.339 43 S CA -0.540 57.695 58.200 0.058 0.000 1.028 43 S CB 2.055 65.310 63.200 0.092 0.000 0.906 43 S HN 0.163 nan 8.310 nan 0.000 0.528 44 Q N 1.312 121.151 119.800 0.066 0.000 2.167 44 Q HA -0.109 4.236 4.340 0.008 0.000 0.202 44 Q C 1.997 178.057 176.000 0.099 0.000 0.970 44 Q CA 1.634 57.476 55.803 0.065 0.000 0.855 44 Q CB -0.341 28.426 28.738 0.048 0.000 0.911 44 Q HN 0.915 nan 8.270 nan 0.000 0.438 45 S N 0.058 115.842 115.700 0.140 0.000 2.359 45 S HA -0.193 4.282 4.470 0.008 0.000 0.224 45 S C 1.548 176.296 174.600 0.248 0.000 1.035 45 S CA 1.393 59.727 58.200 0.223 0.000 1.018 45 S CB -0.540 62.821 63.200 0.267 0.000 0.876 45 S HN 0.529 nan 8.310 nan 0.000 0.448 46 Y N 2.149 122.517 120.300 0.114 0.000 2.220 46 Y HA -0.031 4.523 4.550 0.008 0.000 0.291 46 Y C 2.149 178.122 175.900 0.122 0.000 1.129 46 Y CA 1.365 59.514 58.100 0.082 0.000 1.161 46 Y CB -0.404 38.085 38.460 0.049 0.000 0.997 46 Y HN 0.249 nan 8.280 nan 0.000 0.522 47 E N -0.025 120.142 120.200 -0.054 0.000 2.153 47 E HA -0.230 4.124 4.350 0.008 0.000 0.194 47 E C 1.943 178.494 176.600 -0.082 0.000 0.988 47 E CA 1.412 57.751 56.400 -0.102 0.000 0.811 47 E CB -0.062 29.644 29.700 0.009 0.000 0.746 47 E HN 0.618 nan 8.360 nan 0.000 0.466 48 E N -0.087 120.098 120.200 -0.024 0.000 2.106 48 E HA -0.148 4.207 4.350 0.008 0.000 0.192 48 E C 2.038 178.642 176.600 0.005 0.000 0.984 48 E CA 0.842 57.255 56.400 0.021 0.000 0.806 48 E CB 0.190 29.933 29.700 0.072 0.000 0.750 48 E HN 0.040 nan 8.360 nan 0.000 0.458 49 V N 0.214 120.096 119.914 -0.053 0.000 2.307 49 V HA -0.253 3.871 4.120 0.008 0.000 0.245 49 V C 2.095 178.129 176.094 -0.100 0.000 1.045 49 V CA 2.116 64.390 62.300 -0.043 0.000 1.024 49 V CB -0.522 31.276 31.823 -0.041 0.000 0.651 49 V HN 0.339 nan 8.190 nan 0.000 0.449 50 H N 0.799 119.618 119.070 -0.419 0.000 2.289 50 H HA -0.259 4.302 4.556 0.008 0.000 0.296 50 H C 2.354 177.717 175.328 0.059 0.000 1.091 50 H CA 2.508 58.439 56.048 -0.195 0.000 1.274 50 H CB -0.013 29.559 29.762 -0.316 0.000 1.364 50 H HN 0.630 nan 8.280 nan 0.000 0.490 51 E N -0.356 119.897 120.200 0.089 0.000 2.107 51 E HA -0.217 4.138 4.350 0.008 0.000 0.191 51 E C 2.378 179.002 176.600 0.039 0.000 0.982 51 E CA 1.025 57.463 56.400 0.063 0.000 0.809 51 E CB -0.175 29.562 29.700 0.062 0.000 0.756 51 E HN 0.642 nan 8.360 nan 0.000 0.459 52 Q N 0.000 119.820 119.800 0.033 0.000 2.124 52 Q HA -0.182 4.162 4.340 0.008 0.000 0.202 52 Q C 2.129 178.147 176.000 0.030 0.000 0.977 52 Q CA 1.471 57.291 55.803 0.029 0.000 0.850 52 Q CB -0.194 28.563 28.738 0.032 0.000 0.901 52 Q HN 0.444 nan 8.270 nan 0.000 0.429 53 A N 0.554 123.397 122.820 0.038 0.000 1.902 53 A HA -0.246 4.079 4.320 0.008 0.000 0.217 53 A C 1.915 179.612 177.584 0.188 0.000 1.181 53 A CA 1.598 53.671 52.037 0.059 0.000 0.623 53 A CB -0.493 18.477 19.000 -0.049 0.000 0.818 53 A HN 0.483 nan 8.150 nan 0.000 0.443 54 Q N -0.377 119.537 119.800 0.190 0.000 2.046 54 Q HA -0.161 4.183 4.340 0.008 0.000 0.200 54 Q C 1.908 177.921 176.000 0.022 0.000 0.975 54 Q CA 1.450 57.285 55.803 0.053 0.000 0.836 54 Q CB -0.230 28.438 28.738 -0.117 0.000 0.896 54 Q HN 0.619 nan 8.270 nan 0.000 0.428 55 N N 0.653 119.365 118.700 0.020 0.000 2.104 55 N HA -0.143 4.602 4.740 0.008 0.000 0.190 55 N C 1.754 177.270 175.510 0.009 0.000 1.024 55 N CA 1.071 54.126 53.050 0.010 0.000 0.853 55 N CB -0.246 38.248 38.487 0.013 0.000 1.008 55 N HN 0.209 nan 8.380 nan 0.000 0.424 56 L N 0.273 121.506 121.223 0.017 0.000 2.056 56 L HA -0.079 4.266 4.340 0.008 0.000 0.207 56 L C 2.210 179.084 176.870 0.007 0.000 1.078 56 L CA 0.655 55.501 54.840 0.009 0.000 0.749 56 L CB -0.386 41.677 42.059 0.006 0.000 0.901 56 L HN 0.112 nan 8.230 nan 0.000 0.433 57 L N -0.519 120.717 121.223 0.021 0.000 2.046 57 L HA -0.231 4.113 4.340 0.008 0.000 0.208 57 L C 2.852 179.713 176.870 -0.014 0.000 1.077 57 L CA 1.254 56.100 54.840 0.011 0.000 0.747 57 L CB -0.399 41.684 42.059 0.039 0.000 0.896 57 L HN 0.218 nan 8.230 nan 0.000 0.432 58 R N 0.091 120.582 120.500 -0.014 0.000 2.073 58 R HA -0.239 4.106 4.340 0.008 0.000 0.234 58 R C 2.262 178.548 176.300 -0.024 0.000 1.134 58 R CA 1.957 58.042 56.100 -0.025 0.000 0.952 58 R CB -0.160 30.129 30.300 -0.017 0.000 0.850 58 R HN 0.396 nan 8.270 nan 0.000 0.433 59 E N 0.275 120.466 120.200 -0.015 0.000 2.031 59 E HA -0.205 4.150 4.350 0.008 0.000 0.193 59 E C 2.012 178.600 176.600 -0.020 0.000 0.994 59 E CA 1.366 57.757 56.400 -0.015 0.000 0.800 59 E CB -0.082 29.612 29.700 -0.011 0.000 0.752 59 E HN 0.393 nan 8.360 nan 0.000 0.447 60 L N 0.318 121.529 121.223 -0.020 0.000 2.156 60 L HA -0.088 4.256 4.340 0.008 0.000 0.208 60 L C 2.204 179.059 176.870 -0.026 0.000 1.095 60 L CA 0.605 55.432 54.840 -0.021 0.000 0.770 60 L CB -0.013 42.035 42.059 -0.017 0.000 0.914 60 L HN 0.230 nan 8.230 nan 0.000 0.439 61 L N -1.034 120.167 121.223 -0.036 0.000 2.607 61 L HA 0.091 4.436 4.340 0.008 0.000 0.228 61 L C 0.351 177.186 176.870 -0.058 0.000 1.123 61 L CA -0.024 54.786 54.840 -0.051 0.000 0.890 61 L CB -0.017 41.996 42.059 -0.077 0.000 1.103 61 L HN 0.255 nan 8.230 nan 0.000 0.468 62 Q N 1.168 120.941 119.800 -0.045 0.000 2.443 62 Q HA -0.194 4.150 4.340 0.008 0.000 0.337 62 Q C -0.330 175.627 176.000 -0.072 0.000 1.401 62 Q CA 0.397 56.174 55.803 -0.044 0.000 0.943 62 Q CB -1.260 27.460 28.738 -0.031 0.000 1.177 62 Q HN 0.479 nan 8.270 nan 0.000 0.394 63 I N 1.534 122.054 120.570 -0.084 0.000 2.436 63 I HA 0.160 4.335 4.170 0.008 0.000 0.289 63 I C -1.624 174.462 176.117 -0.053 0.000 1.083 63 I CA -1.925 59.297 61.300 -0.130 0.000 1.372 63 I CB 0.280 38.214 38.000 -0.111 0.000 1.408 63 I HN 0.028 nan 8.210 nan 0.000 0.516 64 P HA 0.075 nan 4.420 nan 0.000 0.270 64 P C 0.271 177.659 177.300 0.147 0.000 1.223 64 P CA -0.234 62.918 63.100 0.088 0.000 0.785 64 P CB 0.495 32.302 31.700 0.178 0.000 0.923 65 N N 1.139 119.896 118.700 0.096 0.000 2.289 65 N HA -0.142 4.603 4.740 0.008 0.000 0.184 65 N C 0.723 176.276 175.510 0.072 0.000 1.016 65 N CA 1.251 54.342 53.050 0.069 0.000 0.872 65 N CB -0.585 37.925 38.487 0.038 0.000 0.973 65 N HN 0.563 nan 8.380 nan 0.000 0.433 66 D N -1.202 119.251 120.400 0.088 0.000 2.336 66 D HA -0.082 4.563 4.640 0.008 0.000 0.229 66 D C -0.309 175.902 176.300 -0.148 0.000 1.061 66 D CA 0.008 53.992 54.000 -0.027 0.000 0.875 66 D CB -0.646 40.112 40.800 -0.071 0.000 0.904 66 D HN 0.168 nan 8.370 nan 0.000 0.525 67 Y N 0.542 120.823 120.300 -0.032 0.000 2.387 67 Y HA 0.406 4.961 4.550 0.008 0.000 0.336 67 Y C 0.602 176.470 175.900 -0.055 0.000 1.067 67 Y CA -1.082 56.991 58.100 -0.045 0.000 1.114 67 Y CB 1.449 39.882 38.460 -0.046 0.000 1.208 67 Y HN -0.179 nan 8.280 nan 0.000 0.458 68 Q N 2.336 122.166 119.800 0.051 0.000 2.257 68 Q HA 0.674 5.019 4.340 0.008 0.000 0.262 68 Q C -1.598 174.384 176.000 -0.030 0.000 0.997 68 Q CA -0.639 55.163 55.803 -0.002 0.000 0.873 68 Q CB 1.203 29.926 28.738 -0.025 0.000 1.312 68 Q HN 0.714 nan 8.270 nan 0.000 0.450 69 I N 4.376 124.880 120.570 -0.109 0.000 2.355 69 I HA 0.311 4.486 4.170 0.008 0.000 0.288 69 I C -0.850 175.045 176.117 -0.370 0.000 0.999 69 I CA -0.453 60.719 61.300 -0.213 0.000 1.163 69 I CB 0.994 38.840 38.000 -0.256 0.000 1.316 69 I HN 0.464 nan 8.210 nan 0.000 0.454 70 L N 6.087 127.140 121.223 -0.283 0.000 2.334 70 L HA 0.579 4.924 4.340 0.008 0.000 0.273 70 L C -0.949 175.786 176.870 -0.224 0.000 1.013 70 L CA -0.579 54.112 54.840 -0.249 0.000 0.816 70 L CB 1.577 43.618 42.059 -0.030 0.000 1.278 70 L HN 0.439 nan 8.230 nan 0.000 0.431 71 F N 3.396 123.350 119.950 0.007 0.000 2.382 71 F HA 0.539 5.071 4.527 0.008 0.000 0.361 71 F C -0.150 175.641 175.800 -0.016 0.000 1.109 71 F CA -0.717 57.278 58.000 -0.008 0.000 1.031 71 F CB 1.268 40.267 39.000 -0.002 0.000 1.234 71 F HN 0.149 nan 8.300 nan 0.000 0.445 72 L N 2.792 124.083 121.223 0.112 0.000 2.303 72 L HA 0.515 4.859 4.340 0.008 0.000 0.266 72 L C -0.369 176.490 176.870 -0.019 0.000 1.011 72 L CA -1.105 53.708 54.840 -0.045 0.000 0.818 72 L CB 2.100 44.066 42.059 -0.155 0.000 1.326 72 L HN 0.537 nan 8.230 nan 0.000 0.435 73 Q N -0.203 119.570 119.800 -0.046 0.000 2.180 73 Q HA 0.514 4.859 4.340 0.008 0.000 0.241 73 Q C 0.616 176.580 176.000 -0.059 0.000 0.970 73 Q CA 0.137 55.918 55.803 -0.037 0.000 0.919 73 Q CB 1.433 30.158 28.738 -0.022 0.000 1.222 73 Q HN 0.912 nan 8.270 nan 0.000 0.482 74 G N -0.602 108.166 108.800 -0.055 0.000 2.179 74 G HA2 -0.060 3.905 3.960 0.008 0.000 0.220 74 G HA3 -0.060 3.905 3.960 0.008 0.000 0.220 74 G C 0.424 175.268 174.900 -0.092 0.000 0.990 74 G CA -0.107 44.953 45.100 -0.066 0.000 0.646 74 G HN 1.292 nan 8.290 nan 0.000 0.517 75 G N -0.984 107.759 108.800 -0.095 0.000 2.795 75 G HA2 0.330 4.294 3.960 0.008 0.000 0.664 75 G HA3 0.330 4.294 3.960 0.008 0.000 0.664 75 G C 1.118 175.909 174.900 -0.182 0.000 1.381 75 G CA 0.938 45.963 45.100 -0.125 0.000 0.853 75 G HN 1.874 nan 8.290 nan 0.000 0.545 76 A N -0.257 122.433 122.820 -0.217 0.000 2.024 76 A HA 0.136 4.461 4.320 0.008 0.000 0.220 76 A C 2.776 179.940 177.584 -0.700 0.000 1.164 76 A CA 2.867 54.748 52.037 -0.260 0.000 0.643 76 A CB -0.629 18.249 19.000 -0.203 0.000 0.806 76 A HN 1.593 nan 8.150 nan 0.000 0.451 77 S N -0.667 114.638 115.700 -0.659 0.000 2.383 77 S HA -0.151 4.324 4.470 0.008 0.000 0.229 77 S C 1.789 176.144 174.600 -0.408 0.000 1.030 77 S CA 1.474 59.240 58.200 -0.724 0.000 1.002 77 S CB -0.353 62.726 63.200 -0.201 0.000 0.829 77 S HN 0.525 nan 8.310 nan 0.000 0.467 78 L N 1.710 122.777 121.223 -0.259 0.000 2.201 78 L HA -0.004 4.341 4.340 0.008 0.000 0.212 78 L C 2.124 178.889 176.870 -0.175 0.000 1.105 78 L CA 1.501 56.250 54.840 -0.152 0.000 0.775 78 L CB -0.536 41.451 42.059 -0.120 0.000 0.913 78 L HN 0.118 nan 8.230 nan 0.000 0.440 79 Q N -0.679 118.939 119.800 -0.302 0.000 2.167 79 Q HA -0.152 4.193 4.340 0.008 0.000 0.202 79 Q C 2.264 178.156 176.000 -0.179 0.000 0.970 79 Q CA 1.651 57.229 55.803 -0.376 0.000 0.855 79 Q CB -0.480 27.735 28.738 -0.871 0.000 0.911 79 Q HN 0.616 nan 8.270 nan 0.000 0.438 80 F N -0.199 119.680 119.950 -0.120 0.000 2.154 80 F HA -0.244 4.288 4.527 0.008 0.000 0.301 80 F C 2.489 178.287 175.800 -0.004 0.000 1.087 80 F CA 1.150 59.150 58.000 -0.000 0.000 1.274 80 F CB -0.033 39.015 39.000 0.081 0.000 1.009 80 F HN 0.137 nan 8.300 nan 0.000 0.485 81 T N -0.832 113.815 114.554 0.155 0.000 3.039 81 T HA -0.009 4.346 4.350 0.008 0.000 0.250 81 T C 1.790 176.512 174.700 0.036 0.000 1.052 81 T CA 0.136 62.291 62.100 0.092 0.000 1.125 81 T CB -0.028 68.882 68.868 0.069 0.000 0.908 81 T HN 0.148 nan 8.240 nan 0.000 0.473 82 M N 0.644 120.227 119.600 -0.028 0.000 2.159 82 M HA -0.006 4.479 4.480 0.008 0.000 0.263 82 M C 1.983 178.289 176.300 0.010 0.000 1.063 82 M CA 1.372 56.611 55.300 -0.102 0.000 1.110 82 M CB -0.174 32.280 32.600 -0.242 0.000 1.374 82 M HN 0.369 nan 8.290 nan 0.000 0.411 83 L N 1.443 122.716 121.223 0.083 0.000 1.970 83 L HA -0.081 4.264 4.340 0.008 0.000 0.212 83 L C -0.995 175.938 176.870 0.104 0.000 1.071 83 L CA 2.198 57.104 54.840 0.111 0.000 0.751 83 L CB -2.009 40.008 42.059 -0.069 0.000 0.889 83 L HN 0.115 nan 8.230 nan 0.000 0.432 84 P HA -0.183 nan 4.420 nan 0.000 0.218 84 P C 2.012 179.416 177.300 0.172 0.000 1.149 84 P CA 1.762 65.020 63.100 0.264 0.000 0.817 84 P CB -0.233 31.640 31.700 0.289 0.000 0.785 85 M N -0.750 118.914 119.600 0.106 0.000 2.149 85 M HA -0.149 4.336 4.480 0.008 0.000 0.261 85 M C 1.874 178.213 176.300 0.066 0.000 1.064 85 M CA 1.653 56.989 55.300 0.061 0.000 1.102 85 M CB -0.566 32.037 32.600 0.006 0.000 1.369 85 M HN 0.031 nan 8.290 nan 0.000 0.408 86 N N -0.585 118.175 118.700 0.101 0.000 2.402 86 N HA 0.072 4.817 4.740 0.008 0.000 0.174 86 N C 1.456 177.052 175.510 0.144 0.000 1.027 86 N CA 0.926 54.054 53.050 0.131 0.000 0.891 86 N CB 0.566 39.209 38.487 0.260 0.000 1.016 86 N HN 0.345 nan 8.380 nan 0.000 0.439 87 L N 0.321 121.651 121.223 0.178 0.000 2.781 87 L HA 0.219 4.564 4.340 0.008 0.000 0.245 87 L C 0.025 177.029 176.870 0.223 0.000 1.118 87 L CA -0.030 54.928 54.840 0.196 0.000 0.918 87 L CB 0.663 42.860 42.059 0.231 0.000 1.246 87 L HN -0.000 nan 8.230 nan 0.000 0.526 88 L N 2.156 123.520 121.223 0.236 0.000 2.466 88 L HA 0.209 4.554 4.340 0.008 0.000 0.248 88 L C 0.736 177.665 176.870 0.099 0.000 1.240 88 L CA -0.027 54.920 54.840 0.179 0.000 1.180 88 L CB -0.283 41.913 42.059 0.228 0.000 1.413 88 L HN 0.064 nan 8.230 nan 0.000 0.406 89 T N -0.272 114.326 114.554 0.072 0.000 2.849 89 T HA 0.292 4.647 4.350 0.008 0.000 0.284 89 T C 0.295 175.014 174.700 0.032 0.000 1.004 89 T CA -0.792 61.336 62.100 0.048 0.000 1.021 89 T CB 0.844 69.736 68.868 0.039 0.000 1.013 89 T HN 0.492 nan 8.240 nan 0.000 0.527 90 K N 0.105 120.520 120.400 0.025 0.000 2.414 90 K HA 0.384 4.709 4.320 0.008 0.000 0.272 90 K C 1.448 178.055 176.600 0.012 0.000 0.993 90 K CA 1.009 57.307 56.287 0.019 0.000 0.964 90 K CB -0.519 31.991 32.500 0.016 0.000 0.925 90 K HN 1.170 nan 8.250 nan 0.000 0.487 91 G N 1.781 110.586 108.800 0.009 0.000 2.184 91 G HA2 -0.294 3.671 3.960 0.008 0.000 0.264 91 G HA3 -0.294 3.671 3.960 0.008 0.000 0.264 91 G C 0.137 175.035 174.900 -0.004 0.000 0.975 91 G CA 0.850 45.952 45.100 0.003 0.000 0.642 91 G HN 1.043 nan 8.290 nan 0.000 0.536 92 T N -1.781 112.769 114.554 -0.006 0.000 2.927 92 T HA 0.804 5.158 4.350 0.008 0.000 0.286 92 T C -0.172 174.504 174.700 -0.040 0.000 1.040 92 T CA -0.910 61.175 62.100 -0.025 0.000 1.010 92 T CB 2.636 71.489 68.868 -0.025 0.000 1.177 92 T HN 0.569 nan 8.240 nan 0.000 0.546 93 I N 0.548 121.067 120.570 -0.086 0.000 2.498 93 I HA 0.519 4.694 4.170 0.008 0.000 0.290 93 I C 0.589 176.563 176.117 -0.239 0.000 1.032 93 I CA -1.186 60.058 61.300 -0.094 0.000 1.073 93 I CB 2.114 40.071 38.000 -0.071 0.000 1.251 93 I HN 0.968 nan 8.210 nan 0.000 0.426 94 G N 3.939 112.622 108.800 -0.195 0.000 2.391 94 G HA2 0.183 4.148 3.960 0.008 0.000 0.305 94 G HA3 0.183 4.148 3.960 0.008 0.000 0.305 94 G C -0.496 174.364 174.900 -0.067 0.000 1.072 94 G CA -0.238 44.580 45.100 -0.470 0.000 1.016 94 G HN 0.515 nan 8.290 nan 0.000 0.418 95 N N 1.450 119.990 118.700 -0.267 0.000 2.426 95 N HA 0.410 5.155 4.740 0.008 0.000 0.275 95 N C -1.381 174.101 175.510 -0.048 0.000 1.019 95 N CA -0.468 52.609 53.050 0.045 0.000 0.941 95 N CB 0.878 39.397 38.487 0.052 0.000 1.123 95 N HN 0.365 nan 8.380 nan 0.000 0.486 96 Y N 1.085 121.448 120.300 0.106 0.000 2.393 96 Y HA 0.410 4.965 4.550 0.008 0.000 0.341 96 Y C 0.007 175.929 175.900 0.038 0.000 0.988 96 Y CA -0.865 57.309 58.100 0.122 0.000 1.078 96 Y CB 1.619 40.128 38.460 0.082 0.000 1.203 96 Y HN 0.110 nan 8.280 nan 0.000 0.453 97 V N 5.434 125.432 119.914 0.140 0.000 2.350 97 V HA 0.269 4.394 4.120 0.008 0.000 0.276 97 V C -0.198 176.008 176.094 0.186 0.000 1.028 97 V CA -0.760 61.568 62.300 0.046 0.000 0.860 97 V CB 0.703 32.484 31.823 -0.069 0.000 0.990 97 V HN 0.559 nan 8.190 nan 0.000 0.453 98 L N 5.607 126.931 121.223 0.169 0.000 2.261 98 L HA 0.400 4.745 4.340 0.008 0.000 0.289 98 L C 0.961 177.951 176.870 0.200 0.000 1.059 98 L CA -0.042 54.909 54.840 0.184 0.000 0.816 98 L CB 1.096 43.289 42.059 0.225 0.000 1.191 98 L HN 0.832 nan 8.230 nan 0.000 0.431 99 T N -1.657 112.906 114.554 0.015 0.000 3.170 99 T HA 0.542 4.897 4.350 0.008 0.000 0.288 99 T C 0.416 174.757 174.700 -0.599 0.000 0.992 99 T CA 0.028 62.098 62.100 -0.051 0.000 0.909 99 T CB 0.808 69.774 68.868 0.163 0.000 1.133 99 T HN 0.751 nan 8.240 nan 0.000 0.530 100 G N 0.821 108.888 108.800 -1.221 0.000 2.321 100 G HA2 0.368 4.333 3.960 0.008 0.000 0.296 100 G HA3 0.368 4.333 3.960 0.008 0.000 0.296 100 G C 0.437 174.931 174.900 -0.677 0.000 1.287 100 G CA 0.122 44.425 45.100 -1.328 0.000 0.846 100 G HN 0.189 nan 8.290 nan 0.000 0.508 101 S N -1.314 114.271 115.700 -0.193 0.000 2.406 101 S HA -0.052 4.423 4.470 0.008 0.000 0.228 101 S C 1.805 176.291 174.600 -0.190 0.000 1.020 101 S CA 1.975 60.089 58.200 -0.144 0.000 0.965 101 S CB -0.386 62.727 63.200 -0.146 0.000 0.798 101 S HN 0.573 nan 8.310 nan 0.000 0.488 102 W N 1.822 123.121 121.300 -0.002 0.000 2.374 102 W HA 0.020 4.685 4.660 0.008 0.000 0.288 102 W C 2.906 179.386 176.519 -0.065 0.000 1.218 102 W CA 0.741 58.110 57.345 0.040 0.000 1.245 102 W CB -0.405 29.145 29.460 0.150 0.000 1.126 102 W HN 0.274 nan 8.180 nan 0.000 0.545 103 S N 0.310 116.103 115.700 0.155 0.000 2.370 103 S HA -0.227 4.247 4.470 0.008 0.000 0.226 103 S C 1.424 175.998 174.600 -0.042 0.000 1.033 103 S CA 1.641 59.906 58.200 0.108 0.000 1.011 103 S CB -0.459 62.799 63.200 0.096 0.000 0.852 103 S HN 0.380 nan 8.310 nan 0.000 0.457 104 E N 0.759 120.916 120.200 -0.071 0.000 2.077 104 E HA -0.130 4.224 4.350 0.008 0.000 0.193 104 E C 2.037 178.531 176.600 -0.177 0.000 0.989 104 E CA 0.800 57.141 56.400 -0.099 0.000 0.800 104 E CB -0.001 29.673 29.700 -0.044 0.000 0.746 104 E HN 0.204 nan 8.360 nan 0.000 0.452 105 K N 0.372 120.662 120.400 -0.184 0.000 2.097 105 K HA -0.039 4.286 4.320 0.008 0.000 0.205 105 K C 1.997 178.306 176.600 -0.486 0.000 1.050 105 K CA 1.020 57.190 56.287 -0.195 0.000 0.938 105 K CB -0.374 32.150 32.500 0.041 0.000 0.718 105 K HN 0.090 nan 8.250 nan 0.000 0.442 106 A N 1.466 123.762 122.820 -0.874 0.000 1.873 106 A HA -0.128 4.197 4.320 0.008 0.000 0.215 106 A C 2.217 179.443 177.584 -0.597 0.000 1.186 106 A CA 1.251 52.715 52.037 -0.955 0.000 0.616 106 A CB -0.594 17.921 19.000 -0.809 0.000 0.823 106 A HN 0.235 nan 8.150 nan 0.000 0.442 107 L N 0.203 120.991 121.223 -0.725 0.000 2.042 107 L HA -0.164 4.180 4.340 0.008 0.000 0.210 107 L C 2.245 178.808 176.870 -0.513 0.000 1.076 107 L CA 2.781 56.997 54.840 -1.040 0.000 0.749 107 L CB -0.599 41.014 42.059 -0.743 0.000 0.893 107 L HN 0.466 nan 8.230 nan 0.000 0.432 108 K N -0.745 119.470 120.400 -0.308 0.000 2.074 108 K HA -0.220 4.105 4.320 0.008 0.000 0.209 108 K C 1.945 178.484 176.600 -0.103 0.000 1.048 108 K CA 1.744 57.934 56.287 -0.160 0.000 0.926 108 K CB -0.093 32.349 32.500 -0.097 0.000 0.713 108 K HN 0.362 nan 8.250 nan 0.000 0.444 109 E N 0.187 120.341 120.200 -0.078 0.000 2.110 109 E HA -0.149 4.205 4.350 0.008 0.000 0.193 109 E C 1.901 178.509 176.600 0.012 0.000 0.988 109 E CA 1.186 57.594 56.400 0.014 0.000 0.804 109 E CB -0.256 29.510 29.700 0.109 0.000 0.745 109 E HN 0.468 nan 8.360 nan 0.000 0.458 110 A N 1.236 124.035 122.820 -0.035 0.000 1.969 110 A HA -0.152 4.173 4.320 0.008 0.000 0.218 110 A C 2.034 179.632 177.584 0.022 0.000 1.169 110 A CA 1.272 53.345 52.037 0.060 0.000 0.635 110 A CB -0.276 18.822 19.000 0.164 0.000 0.810 110 A HN 0.103 nan 8.150 nan 0.000 0.445 111 K N -0.315 120.058 120.400 -0.045 0.000 2.280 111 K HA 0.032 4.357 4.320 0.008 0.000 0.202 111 K C 1.608 178.208 176.600 0.001 0.000 1.047 111 K CA 0.809 57.080 56.287 -0.027 0.000 0.942 111 K CB -0.292 32.175 32.500 -0.056 0.000 0.739 111 K HN 0.478 nan 8.250 nan 0.000 0.457 112 L N 0.331 121.559 121.223 0.007 0.000 2.131 112 L HA -0.166 4.179 4.340 0.008 0.000 0.210 112 L C 1.756 178.643 176.870 0.028 0.000 1.092 112 L CA 1.158 56.008 54.840 0.018 0.000 0.759 112 L CB -0.127 41.946 42.059 0.024 0.000 0.903 112 L HN 0.206 nan 8.230 nan 0.000 0.435 113 L N -1.809 119.439 121.223 0.043 0.000 2.664 113 L HA 0.377 4.722 4.340 0.008 0.000 0.233 113 L C 0.775 177.677 176.870 0.054 0.000 1.113 113 L CA 0.028 54.899 54.840 0.052 0.000 0.896 113 L CB 0.375 42.477 42.059 0.073 0.000 1.163 113 L HN 0.240 nan 8.230 nan 0.000 0.497 114 G N -0.361 108.469 108.800 0.050 0.000 2.321 114 G HA2 0.093 4.057 3.960 0.008 0.000 0.296 114 G HA3 0.093 4.057 3.960 0.008 0.000 0.296 114 G C -1.748 173.177 174.900 0.041 0.000 1.287 114 G CA -0.685 44.443 45.100 0.047 0.000 0.846 114 G HN -0.108 nan 8.290 nan 0.000 0.508 115 E N 0.012 120.233 120.200 0.035 0.000 2.384 115 E HA 0.480 4.835 4.350 0.008 0.000 0.266 115 E C 0.533 177.164 176.600 0.051 0.000 1.012 115 E CA 0.305 56.727 56.400 0.036 0.000 0.901 115 E CB 0.524 30.240 29.700 0.026 0.000 0.967 115 E HN 0.668 nan 8.360 nan 0.000 0.435 116 T N 1.304 115.898 114.554 0.067 0.000 2.858 116 T HA 0.455 4.810 4.350 0.008 0.000 0.285 116 T C -0.701 174.104 174.700 0.175 0.000 1.052 116 T CA -0.897 61.269 62.100 0.111 0.000 1.009 116 T CB 1.662 70.559 68.868 0.049 0.000 1.241 116 T HN 0.579 nan 8.240 nan 0.000 0.542 117 H N -0.764 118.355 119.070 0.081 0.000 3.094 117 H HA 0.374 4.935 4.556 0.008 0.000 0.346 117 H C -1.869 173.521 175.328 0.103 0.000 1.238 117 H CA -0.713 55.374 56.048 0.065 0.000 1.209 117 H CB 1.767 31.555 29.762 0.044 0.000 1.911 117 H HN 0.680 nan 8.280 nan 0.000 0.540 118 I N 3.819 124.158 120.570 -0.385 0.000 2.330 118 I HA 0.216 4.391 4.170 0.008 0.000 0.286 118 I C 1.283 177.273 176.117 -0.212 0.000 1.025 118 I CA -0.213 60.981 61.300 -0.177 0.000 1.197 118 I CB 1.489 39.409 38.000 -0.133 0.000 1.358 118 I HN 0.667 nan 8.210 nan 0.000 0.467 119 A N 5.321 128.144 122.820 0.005 0.000 2.015 119 A HA 0.446 4.771 4.320 0.008 0.000 0.219 119 A C 1.043 178.597 177.584 -0.049 0.000 1.163 119 A CA 1.340 53.393 52.037 0.026 0.000 0.646 119 A CB 0.011 18.946 19.000 -0.109 0.000 0.806 119 A HN 0.841 nan 8.150 nan 0.000 0.448 120 A N -2.565 120.203 122.820 -0.087 0.000 2.550 120 A HA 0.585 4.910 4.320 0.008 0.000 0.295 120 A C -0.569 177.036 177.584 0.035 0.000 1.001 120 A CA 0.364 52.401 52.037 -0.002 0.000 0.660 120 A CB -0.040 19.002 19.000 0.070 0.000 1.308 120 A HN 1.324 nan 8.150 nan 0.000 0.426 121 S N -0.503 115.246 115.700 0.083 0.000 2.548 121 S HA 0.608 5.083 4.470 0.008 0.000 0.278 121 S C 0.021 174.677 174.600 0.094 0.000 1.150 121 S CA 0.535 58.807 58.200 0.120 0.000 0.907 121 S CB 1.240 64.487 63.200 0.079 0.000 1.108 121 S HN 1.997 nan 8.310 nan 0.000 0.459 122 T N 1.363 116.010 114.554 0.155 0.000 3.176 122 T HA 0.280 4.635 4.350 0.008 0.000 0.263 122 T C 1.272 175.798 174.700 -0.290 0.000 1.021 122 T CA -0.252 61.861 62.100 0.023 0.000 0.905 122 T CB 0.100 69.033 68.868 0.108 0.000 1.057 122 T HN 0.625 nan 8.240 nan 0.000 0.558 123 K N 1.620 121.715 120.400 -0.507 0.000 2.103 123 K HA -0.057 4.268 4.320 0.008 0.000 0.207 123 K C 2.428 178.687 176.600 -0.570 0.000 1.048 123 K CA 1.337 56.968 56.287 -1.094 0.000 0.930 123 K CB -0.585 31.588 32.500 -0.545 0.000 0.716 123 K HN 0.416 nan 8.250 nan 0.000 0.444 124 A N 1.305 123.950 122.820 -0.292 0.000 1.978 124 A HA -0.186 4.138 4.320 0.008 0.000 0.220 124 A C 1.694 179.180 177.584 -0.162 0.000 1.170 124 A CA 1.672 53.602 52.037 -0.178 0.000 0.636 124 A CB -0.525 18.412 19.000 -0.106 0.000 0.810 124 A HN 0.545 nan 8.150 nan 0.000 0.448 125 N N -0.026 118.567 118.700 -0.178 0.000 2.327 125 N HA 0.061 4.806 4.740 0.008 0.000 0.231 125 N C -0.560 174.879 175.510 -0.118 0.000 1.130 125 N CA 0.619 53.599 53.050 -0.116 0.000 0.845 125 N CB -0.049 38.389 38.487 -0.082 0.000 1.073 125 N HN 0.213 nan 8.380 nan 0.000 0.496 126 S N 0.284 115.857 115.700 -0.210 0.000 3.581 126 S HA -0.223 4.251 4.470 0.008 0.000 0.354 126 S C -0.259 174.303 174.600 -0.064 0.000 1.059 126 S CA 0.589 58.701 58.200 -0.145 0.000 1.060 126 S CB -2.340 60.941 63.200 0.135 0.000 0.908 126 S HN 0.696 nan 8.310 nan 0.000 0.475 127 Y N -1.698 118.529 120.300 -0.122 0.000 3.234 127 Y HA -0.312 4.243 4.550 0.008 0.000 0.207 127 Y C 1.347 177.282 175.900 0.058 0.000 1.316 127 Y CA 0.733 58.733 58.100 -0.166 0.000 1.309 127 Y CB -1.918 36.143 38.460 -0.666 0.000 1.408 127 Y HN 0.564 nan 8.280 nan 0.000 0.544 128 Q N -0.025 119.830 119.800 0.092 0.000 2.425 128 Q HA 0.068 4.413 4.340 0.008 0.000 0.204 128 Q C 0.721 176.724 176.000 0.005 0.000 0.933 128 Q CA 0.734 56.502 55.803 -0.060 0.000 0.939 128 Q CB 0.539 29.160 28.738 -0.195 0.000 1.044 128 Q HN 0.517 nan 8.270 nan 0.000 0.513 129 S N -1.207 114.525 115.700 0.053 0.000 2.615 129 S HA 0.456 4.931 4.470 0.008 0.000 0.269 129 S C -0.920 173.697 174.600 0.028 0.000 1.161 129 S CA -1.034 57.178 58.200 0.019 0.000 0.817 129 S CB 1.151 64.338 63.200 -0.023 0.000 1.131 129 S HN -0.019 nan 8.310 nan 0.000 0.467 130 I N 2.699 123.241 120.570 -0.046 0.000 2.395 130 I HA 0.404 4.578 4.170 0.008 0.000 0.289 130 I C -1.911 174.183 176.117 -0.039 0.000 1.023 130 I CA -2.154 59.079 61.300 -0.111 0.000 1.350 130 I CB 0.024 37.818 38.000 -0.343 0.000 1.409 130 I HN 0.565 nan 8.210 nan 0.000 0.507 131 P HA 0.044 nan 4.420 nan 0.000 0.272 131 P C -0.275 177.105 177.300 0.134 0.000 1.223 131 P CA -0.314 62.884 63.100 0.164 0.000 0.784 131 P CB 0.946 32.837 31.700 0.318 0.000 0.923 132 D N 1.372 121.790 120.400 0.030 0.000 2.417 132 D HA 0.005 4.650 4.640 0.008 0.000 0.250 132 D C 1.090 177.349 176.300 -0.068 0.000 1.166 132 D CA 0.001 53.923 54.000 -0.129 0.000 0.881 132 D CB 0.284 41.021 40.800 -0.104 0.000 1.164 132 D HN 0.297 nan 8.370 nan 0.000 0.467 133 F N 1.297 121.011 119.950 -0.393 0.000 2.250 133 F HA -0.234 4.298 4.527 0.008 0.000 0.301 133 F C 2.705 178.138 175.800 -0.612 0.000 1.077 133 F CA 0.494 57.901 58.000 -0.988 0.000 1.348 133 F CB -0.073 38.516 39.000 -0.686 0.000 1.040 133 F HN 0.374 nan 8.300 nan 0.000 0.509 134 S N -0.238 115.401 115.700 -0.102 0.000 2.507 134 S HA -0.138 4.337 4.470 0.008 0.000 0.235 134 S C 1.407 176.035 174.600 0.046 0.000 0.988 134 S CA 0.819 59.002 58.200 -0.029 0.000 0.944 134 S CB -0.333 62.849 63.200 -0.030 0.000 0.762 134 S HN 0.380 nan 8.310 nan 0.000 0.526 135 E N 0.434 120.699 120.200 0.109 0.000 2.435 135 E HA 0.148 4.503 4.350 0.008 0.000 0.195 135 E C -0.447 176.384 176.600 0.385 0.000 1.029 135 E CA -0.040 56.490 56.400 0.217 0.000 0.865 135 E CB -0.127 29.719 29.700 0.244 0.000 0.833 135 E HN 0.512 nan 8.360 nan 0.000 0.510 136 F N 2.183 122.208 119.950 0.125 0.000 2.529 136 F HA 0.039 4.571 4.527 0.008 0.000 0.365 136 F C 1.178 177.034 175.800 0.093 0.000 1.102 136 F CA -0.390 57.684 58.000 0.123 0.000 1.271 136 F CB 0.311 39.385 39.000 0.124 0.000 1.120 136 F HN -0.200 nan 8.300 nan 0.000 0.579 137 Q N 5.163 125.122 119.800 0.265 0.000 2.430 137 Q HA 0.429 4.774 4.340 0.008 0.000 0.245 137 Q C -0.497 175.611 176.000 0.181 0.000 1.021 137 Q CA -0.172 55.760 55.803 0.216 0.000 0.867 137 Q CB 1.470 30.371 28.738 0.272 0.000 1.210 137 Q HN 0.562 nan 8.270 nan 0.000 0.487 138 L N 1.660 122.907 121.223 0.041 0.000 2.334 138 L HA 0.565 4.910 4.340 0.008 0.000 0.270 138 L C 0.236 177.017 176.870 -0.147 0.000 1.018 138 L CA -0.914 53.880 54.840 -0.078 0.000 0.811 138 L CB 1.259 43.137 42.059 -0.301 0.000 1.271 138 L HN 0.380 nan 8.230 nan 0.000 0.443 139 N N 0.446 119.082 118.700 -0.107 0.000 2.238 139 N HA 0.129 4.874 4.740 0.008 0.000 0.302 139 N C 0.214 175.752 175.510 0.046 0.000 1.072 139 N CA -0.547 52.449 53.050 -0.089 0.000 0.792 139 N CB 2.642 41.024 38.487 -0.175 0.000 1.425 139 N HN 0.665 nan 8.380 nan 0.000 0.478 140 E N 1.144 121.356 120.200 0.021 0.000 2.130 140 E HA -0.216 4.138 4.350 0.008 0.000 0.196 140 E C 0.541 177.178 176.600 0.062 0.000 0.998 140 E CA 1.446 57.883 56.400 0.061 0.000 0.806 140 E CB 0.142 29.854 29.700 0.020 0.000 0.738 140 E HN 0.534 nan 8.360 nan 0.000 0.459 141 N N 0.845 119.555 118.700 0.017 0.000 2.327 141 N HA -0.007 4.738 4.740 0.008 0.000 0.231 141 N C -0.878 174.613 175.510 -0.032 0.000 1.130 141 N CA -0.023 53.022 53.050 -0.008 0.000 0.845 141 N CB 0.054 38.530 38.487 -0.018 0.000 1.073 141 N HN -0.060 nan 8.380 nan 0.000 0.496 142 D N 0.920 121.314 120.400 -0.009 0.000 2.458 142 D HA 0.115 4.760 4.640 0.008 0.000 0.243 142 D C 0.997 177.209 176.300 -0.146 0.000 1.146 142 D CA 0.039 53.989 54.000 -0.083 0.000 0.877 142 D CB 1.495 42.297 40.800 0.002 0.000 1.176 142 D HN 0.341 nan 8.370 nan 0.000 0.461 143 A N 3.173 125.865 122.820 -0.213 0.000 2.016 143 A HA 0.033 4.358 4.320 0.008 0.000 0.217 143 A C 0.157 177.722 177.584 -0.031 0.000 1.162 143 A CA 1.082 53.043 52.037 -0.126 0.000 0.662 143 A CB -0.314 18.635 19.000 -0.086 0.000 0.812 143 A HN 0.681 nan 8.150 nan 0.000 0.450 144 Y N -5.239 115.017 120.300 -0.074 0.000 2.702 144 Y HA 0.604 5.159 4.550 0.008 0.000 0.336 144 Y C -1.447 174.395 175.900 -0.096 0.000 1.203 144 Y CA -1.827 56.215 58.100 -0.097 0.000 1.072 144 Y CB 0.554 38.983 38.460 -0.053 0.000 1.327 144 Y HN -0.008 nan 8.280 nan 0.000 0.456 145 L N 3.347 124.652 121.223 0.137 0.000 2.319 145 L HA 0.481 4.826 4.340 0.008 0.000 0.281 145 L C -1.039 175.899 176.870 0.113 0.000 1.005 145 L CA -0.378 54.516 54.840 0.090 0.000 0.828 145 L CB 0.886 43.010 42.059 0.108 0.000 1.227 145 L HN 0.885 nan 8.230 nan 0.000 0.415 146 H N 6.290 125.296 119.070 -0.107 0.000 2.467 146 H HA 0.562 5.123 4.556 0.008 0.000 0.326 146 H C -0.896 174.394 175.328 -0.064 0.000 1.094 146 H CA -0.416 55.539 56.048 -0.156 0.000 1.253 146 H CB 1.433 30.904 29.762 -0.486 0.000 1.439 146 H HN 0.773 nan 8.280 nan 0.000 0.479 147 I N 1.090 121.474 120.570 -0.310 0.000 3.002 147 I HA 0.468 4.642 4.170 0.008 0.000 0.310 147 I C -0.936 175.047 176.117 -0.223 0.000 1.087 147 I CA -0.911 60.319 61.300 -0.116 0.000 1.017 147 I CB 2.562 40.447 38.000 -0.192 0.000 1.226 147 I HN 0.317 nan 8.210 nan 0.000 0.443 148 T N 1.785 116.364 114.554 0.041 0.000 2.788 148 T HA 0.214 4.569 4.350 0.008 0.000 0.296 148 T C 1.055 175.830 174.700 0.124 0.000 1.009 148 T CA -0.240 61.903 62.100 0.072 0.000 0.949 148 T CB 1.341 70.341 68.868 0.220 0.000 0.946 148 T HN 0.821 nan 8.240 nan 0.000 0.453 149 S N 3.130 118.840 115.700 0.016 0.000 2.402 149 S HA -0.054 4.421 4.470 0.008 0.000 0.229 149 S C 0.740 175.552 174.600 0.354 0.000 1.021 149 S CA 0.445 58.758 58.200 0.188 0.000 0.974 149 S CB -0.242 63.063 63.200 0.176 0.000 0.800 149 S HN 0.642 nan 8.310 nan 0.000 0.484 150 N N 1.264 120.108 118.700 0.240 0.000 2.480 150 N HA 0.288 5.033 4.740 0.008 0.000 0.289 150 N C -2.035 173.624 175.510 0.248 0.000 1.073 150 N CA -0.488 52.712 53.050 0.249 0.000 0.885 150 N CB 1.036 39.648 38.487 0.208 0.000 1.421 150 N HN 0.087 nan 8.380 nan 0.000 0.503 151 N N 2.720 121.589 118.700 0.281 0.000 2.602 151 N HA 0.076 4.820 4.740 0.008 0.000 0.238 151 N C 0.353 176.062 175.510 0.331 0.000 1.084 151 N CA 0.031 53.267 53.050 0.309 0.000 0.952 151 N CB 1.017 39.663 38.487 0.265 0.000 1.244 151 N HN 0.610 nan 8.380 nan 0.000 0.512 152 T N 0.940 115.715 114.554 0.369 0.000 2.759 152 T HA -0.085 4.270 4.350 0.008 0.000 0.269 152 T C 1.898 176.747 174.700 0.248 0.000 1.042 152 T CA 1.026 63.326 62.100 0.334 0.000 1.140 152 T CB 0.176 69.271 68.868 0.379 0.000 0.864 152 T HN 0.453 nan 8.240 nan 0.000 0.455 153 I N -1.190 119.488 120.570 0.181 0.000 2.852 153 I HA 0.039 4.214 4.170 0.008 0.000 0.264 153 I C 1.555 177.488 176.117 -0.307 0.000 1.179 153 I CA 0.920 62.137 61.300 -0.138 0.000 1.480 153 I CB 0.007 37.732 38.000 -0.457 0.000 1.111 153 I HN 0.197 nan 8.210 nan 0.000 0.441 154 Y N 0.371 120.703 120.300 0.052 0.000 2.458 154 Y HA 0.284 4.839 4.550 0.008 0.000 0.254 154 Y C 1.794 177.806 175.900 0.187 0.000 1.120 154 Y CA 0.422 58.549 58.100 0.046 0.000 1.282 154 Y CB 0.566 39.103 38.460 0.130 0.000 1.109 154 Y HN 0.186 nan 8.280 nan 0.000 0.526 155 G N 1.372 110.351 108.800 0.298 0.000 2.160 155 G HA2 -0.267 3.698 3.960 0.008 0.000 0.244 155 G HA3 -0.267 3.698 3.960 0.008 0.000 0.244 155 G C 0.145 175.235 174.900 0.318 0.000 1.022 155 G CA 0.428 45.707 45.100 0.298 0.000 0.741 155 G HN 0.426 nan 8.290 nan 0.000 0.508 156 T N -3.212 111.523 114.554 0.302 0.000 2.942 156 T HA 0.788 5.143 4.350 0.008 0.000 0.289 156 T C -0.618 174.214 174.700 0.219 0.000 1.044 156 T CA -0.017 62.222 62.100 0.231 0.000 1.023 156 T CB 2.810 71.802 68.868 0.206 0.000 1.123 156 T HN 0.878 nan 8.240 nan 0.000 0.512 157 Q N 0.536 120.438 119.800 0.169 0.000 2.386 157 Q HA 0.328 4.673 4.340 0.008 0.000 0.274 157 Q C -1.869 174.225 176.000 0.158 0.000 1.011 157 Q CA -0.827 55.104 55.803 0.214 0.000 0.867 157 Q CB 1.773 30.630 28.738 0.199 0.000 1.409 157 Q HN 0.764 nan 8.270 nan 0.000 0.395 158 Y N 2.791 123.135 120.300 0.074 0.000 2.632 158 Y HA -0.069 4.485 4.550 0.008 0.000 0.329 158 Y C 1.376 177.171 175.900 -0.174 0.000 1.174 158 Y CA 0.523 58.601 58.100 -0.037 0.000 1.469 158 Y CB 0.763 39.146 38.460 -0.129 0.000 1.242 158 Y HN 0.618 nan 8.280 nan 0.000 0.540 159 Q N 2.299 122.069 119.800 -0.050 0.000 2.172 159 Q HA -0.051 4.294 4.340 0.008 0.000 0.200 159 Q C -0.124 175.794 176.000 -0.136 0.000 0.964 159 Q CA 1.018 56.774 55.803 -0.079 0.000 0.855 159 Q CB -0.160 28.528 28.738 -0.083 0.000 0.918 159 Q HN 0.840 nan 8.270 nan 0.000 0.444 160 N N -1.755 116.843 118.700 -0.170 0.000 3.039 160 N HA 0.477 5.222 4.740 0.008 0.000 0.257 160 N C -1.330 174.060 175.510 -0.201 0.000 1.497 160 N CA -0.679 52.256 53.050 -0.191 0.000 0.861 160 N CB 0.319 38.836 38.487 0.051 0.000 1.479 160 N HN -0.158 nan 8.380 nan 0.000 0.547 161 F N -0.784 119.344 119.950 0.296 0.000 2.538 161 F HA 0.649 5.181 4.527 0.008 0.000 0.325 161 F C -2.050 173.653 175.800 -0.163 0.000 1.066 161 F CA -1.902 56.147 58.000 0.083 0.000 0.946 161 F CB 2.148 41.124 39.000 -0.040 0.000 1.199 161 F HN 0.261 nan 8.300 nan 0.000 0.473 162 P HA 0.053 nan 4.420 nan 0.000 0.275 162 P C -0.888 176.300 177.300 -0.187 0.000 1.228 162 P CA -0.244 62.532 63.100 -0.540 0.000 0.786 162 P CB 0.812 32.024 31.700 -0.813 0.000 0.927 163 E N 2.485 122.633 120.200 -0.087 0.000 1.996 163 E HA 0.247 4.601 4.350 0.008 0.000 0.280 163 E C -0.318 176.269 176.600 -0.022 0.000 1.092 163 E CA -0.286 56.084 56.400 -0.050 0.000 0.862 163 E CB 0.210 29.905 29.700 -0.009 0.000 1.066 163 E HN 0.296 nan 8.360 nan 0.000 0.396 164 I N 3.371 123.928 120.570 -0.021 0.000 2.362 164 I HA 0.204 4.378 4.170 0.008 0.000 0.289 164 I C 0.794 176.951 176.117 0.067 0.000 0.994 164 I CA -0.419 60.923 61.300 0.071 0.000 1.158 164 I CB 1.128 39.175 38.000 0.078 0.000 1.315 164 I HN 0.277 nan 8.210 nan 0.000 0.451 165 N N 4.222 123.002 118.700 0.132 0.000 2.159 165 N HA -0.023 4.722 4.740 0.008 0.000 0.217 165 N C 1.249 176.820 175.510 0.102 0.000 1.223 165 N CA 0.005 53.101 53.050 0.076 0.000 0.896 165 N CB 0.455 38.973 38.487 0.051 0.000 1.064 165 N HN 0.639 nan 8.380 nan 0.000 0.518 166 H N 0.163 119.232 119.070 -0.001 0.000 2.551 166 H HA 0.532 5.093 4.556 0.008 0.000 0.266 166 H C 0.089 175.416 175.328 -0.001 0.000 0.964 166 H CA 0.094 56.141 56.048 -0.001 0.000 1.180 166 H CB 0.496 30.258 29.762 0.000 0.000 1.408 166 H HN 0.067 nan 8.280 nan 0.000 0.563 167 A N 1.225 123.710 122.820 -0.557 0.000 2.599 167 A HA 0.452 4.777 4.320 0.008 0.000 0.294 167 A C -2.992 174.451 177.584 -0.235 0.000 1.055 167 A CA -1.348 50.405 52.037 -0.473 0.000 0.683 167 A CB 1.199 19.759 19.000 -0.734 0.000 1.278 167 A HN 0.063 nan 8.150 nan 0.000 0.412 168 P HA 0.308 nan 4.420 nan 0.000 0.268 168 P C -0.553 176.744 177.300 -0.004 0.000 1.204 168 P CA -0.023 63.055 63.100 -0.037 0.000 0.768 168 P CB 0.608 32.306 31.700 -0.003 0.000 0.842 169 L N 5.275 126.487 121.223 -0.018 0.000 2.319 169 L HA 0.297 4.641 4.340 0.008 0.000 0.280 169 L C -0.456 176.462 176.870 0.080 0.000 1.099 169 L CA 0.090 54.927 54.840 -0.006 0.000 0.828 169 L CB -0.235 41.731 42.059 -0.155 0.000 1.150 169 L HN 0.189 nan 8.230 nan 0.000 0.442 170 I N 5.106 125.697 120.570 0.035 0.000 2.545 170 I HA 0.682 4.857 4.170 0.008 0.000 0.292 170 I C -0.215 175.760 176.117 -0.236 0.000 1.040 170 I CA -0.841 60.439 61.300 -0.033 0.000 1.068 170 I CB 1.206 39.173 38.000 -0.055 0.000 1.251 170 I HN 0.728 nan 8.210 nan 0.000 0.424 171 A N 3.857 126.479 122.820 -0.330 0.000 2.381 171 A HA 0.500 4.825 4.320 0.008 0.000 0.299 171 A C -0.849 176.271 177.584 -0.773 0.000 1.049 171 A CA -0.586 51.116 52.037 -0.559 0.000 0.715 171 A CB 1.160 19.805 19.000 -0.591 0.000 1.222 171 A HN 0.642 nan 8.150 nan 0.000 0.428 172 D N 3.220 123.122 120.400 -0.830 0.000 2.383 172 D HA 0.254 4.899 4.640 0.008 0.000 0.245 172 D C 0.357 176.356 176.300 -0.503 0.000 1.263 172 D CA 0.228 53.681 54.000 -0.912 0.000 0.936 172 D CB 0.204 40.823 40.800 -0.301 0.000 1.053 172 D HN 0.456 nan 8.370 nan 0.000 0.507 173 M N 2.296 121.593 119.600 -0.505 0.000 2.655 173 M HA 0.051 4.536 4.480 0.008 0.000 0.311 173 M C 1.591 177.748 176.300 -0.238 0.000 1.229 173 M CA -0.345 54.773 55.300 -0.304 0.000 0.972 173 M CB 0.429 32.829 32.600 -0.334 0.000 1.366 173 M HN 0.155 nan 8.290 nan 0.000 0.500 174 S N 1.209 116.750 115.700 -0.266 0.000 2.380 174 S HA -0.148 4.327 4.470 0.008 0.000 0.229 174 S C 1.754 176.214 174.600 -0.232 0.000 1.043 174 S CA 2.212 60.262 58.200 -0.249 0.000 1.038 174 S CB -0.151 62.861 63.200 -0.313 0.000 0.872 174 S HN 0.686 nan 8.310 nan 0.000 0.456 175 S N 0.591 116.199 115.700 -0.154 0.000 2.572 175 S HA 0.178 4.653 4.470 0.008 0.000 0.228 175 S C 0.297 174.916 174.600 0.032 0.000 0.963 175 S CA 0.160 58.300 58.200 -0.100 0.000 0.939 175 S CB 0.144 63.403 63.200 0.099 0.000 0.804 175 S HN 0.617 nan 8.310 nan 0.000 0.480 176 D N -0.261 120.138 120.400 -0.001 0.000 2.523 176 D HA 0.170 4.815 4.640 0.008 0.000 0.269 176 D C -0.043 176.266 176.300 0.014 0.000 1.374 176 D CA -0.577 53.463 54.000 0.066 0.000 0.820 176 D CB -0.759 40.120 40.800 0.131 0.000 1.211 176 D HN 0.336 nan 8.370 nan 0.000 0.502 177 I N 1.813 122.346 120.570 -0.062 0.000 2.683 177 I HA 0.136 4.310 4.170 0.008 0.000 0.286 177 I C 0.815 176.909 176.117 -0.038 0.000 1.175 177 I CA -0.180 61.071 61.300 -0.082 0.000 1.429 177 I CB 0.317 38.240 38.000 -0.129 0.000 1.371 177 I HN 0.156 nan 8.210 nan 0.000 0.569 178 L N 5.654 126.861 121.223 -0.026 0.000 3.717 178 L HA -0.241 4.104 4.340 0.008 0.000 0.414 178 L C 1.181 178.073 176.870 0.036 0.000 1.228 178 L CA 1.630 56.470 54.840 -0.000 0.000 0.918 178 L CB -2.207 39.847 42.059 -0.007 0.000 1.865 178 L HN 0.913 nan 8.230 nan 0.000 0.922 179 S N -1.313 114.420 115.700 0.055 0.000 2.540 179 S HA 0.402 4.876 4.470 0.008 0.000 0.218 179 S C 0.654 175.301 174.600 0.079 0.000 0.977 179 S CA 0.169 58.420 58.200 0.086 0.000 0.918 179 S CB 0.226 63.497 63.200 0.118 0.000 0.806 179 S HN 0.810 nan 8.310 nan 0.000 0.496 180 R N -1.176 119.364 120.500 0.066 0.000 2.741 180 R HA 0.524 4.868 4.340 0.008 0.000 0.276 180 R C -3.722 172.612 176.300 0.057 0.000 1.028 180 R CA -1.766 54.373 56.100 0.065 0.000 0.865 180 R CB -0.613 29.739 30.300 0.086 0.000 1.268 180 R HN -0.090 nan 8.270 nan 0.000 0.475 181 P HA 0.159 nan 4.420 nan 0.000 0.269 181 P C -1.183 176.166 177.300 0.081 0.000 1.215 181 P CA -0.416 62.712 63.100 0.047 0.000 0.780 181 P CB 0.464 32.189 31.700 0.042 0.000 0.898 182 L N 2.056 123.318 121.223 0.064 0.000 2.388 182 L HA 0.435 4.780 4.340 0.008 0.000 0.264 182 L C -0.610 176.305 176.870 0.076 0.000 0.998 182 L CA -0.602 54.296 54.840 0.096 0.000 0.817 182 L CB 2.064 44.129 42.059 0.009 0.000 1.338 182 L HN 0.156 nan 8.230 nan 0.000 0.414 183 K N 3.248 123.729 120.400 0.134 0.000 2.300 183 K HA 0.303 4.627 4.320 0.008 0.000 0.264 183 K C 0.590 177.240 176.600 0.084 0.000 1.083 183 K CA -0.311 56.023 56.287 0.078 0.000 0.958 183 K CB 1.266 33.813 32.500 0.078 0.000 1.318 183 K HN 0.509 nan 8.250 nan 0.000 0.448 184 V N 2.118 122.014 119.914 -0.030 0.000 2.626 184 V HA -0.225 3.900 4.120 0.008 0.000 0.252 184 V C 1.584 177.611 176.094 -0.111 0.000 1.067 184 V CA 1.356 63.586 62.300 -0.117 0.000 1.081 184 V CB -0.359 31.210 31.823 -0.423 0.000 0.686 184 V HN 0.706 nan 8.190 nan 0.000 0.468 185 N N 0.238 118.890 118.700 -0.081 0.000 2.519 185 N HA -0.165 4.579 4.740 0.008 0.000 0.186 185 N C 1.777 177.293 175.510 0.010 0.000 1.062 185 N CA 0.919 54.000 53.050 0.052 0.000 0.910 185 N CB -0.173 38.345 38.487 0.051 0.000 0.958 185 N HN 0.618 nan 8.380 nan 0.000 0.445 186 Q N -0.971 118.745 119.800 -0.140 0.000 2.436 186 Q HA 0.020 4.365 4.340 0.008 0.000 0.209 186 Q C -0.344 175.265 176.000 -0.651 0.000 0.965 186 Q CA 0.633 56.169 55.803 -0.446 0.000 0.910 186 Q CB 0.171 28.467 28.738 -0.736 0.000 0.980 186 Q HN 0.258 nan 8.270 nan 0.000 0.491 187 F N -2.086 117.834 119.950 -0.051 0.000 2.561 187 F HA 0.419 4.950 4.527 0.008 0.000 0.321 187 F C 1.169 177.014 175.800 0.074 0.000 1.065 187 F CA -0.913 57.052 58.000 -0.059 0.000 0.934 187 F CB 1.368 40.275 39.000 -0.155 0.000 1.215 187 F HN -0.218 nan 8.300 nan 0.000 0.471 188 G N 1.032 109.944 108.800 0.186 0.000 2.595 188 G HA2 0.156 4.120 3.960 0.008 0.000 0.213 188 G HA3 0.156 4.120 3.960 0.008 0.000 0.213 188 G C 0.067 175.024 174.900 0.095 0.000 1.141 188 G CA 0.293 45.454 45.100 0.101 0.000 0.806 188 G HN 0.438 nan 8.290 nan 0.000 0.530 189 M N 0.281 119.937 119.600 0.092 0.000 2.413 189 M HA 0.532 5.017 4.480 0.008 0.000 0.287 189 M C -2.241 174.029 176.300 -0.051 0.000 1.186 189 M CA -0.565 54.741 55.300 0.011 0.000 0.927 189 M CB 2.503 35.047 32.600 -0.093 0.000 1.715 189 M HN -0.098 nan 8.290 nan 0.000 0.478 190 I N 4.627 125.130 120.570 -0.112 0.000 2.545 190 I HA 0.518 4.693 4.170 0.008 0.000 0.292 190 I C -1.477 174.594 176.117 -0.076 0.000 1.040 190 I CA -0.660 60.479 61.300 -0.269 0.000 1.068 190 I CB 2.236 39.959 38.000 -0.461 0.000 1.251 190 I HN 0.679 nan 8.210 nan 0.000 0.424 191 Y N 4.128 124.318 120.300 -0.185 0.000 2.581 191 Y HA 0.952 5.507 4.550 0.008 0.000 0.345 191 Y C -0.981 174.844 175.900 -0.125 0.000 1.036 191 Y CA -1.371 56.658 58.100 -0.118 0.000 1.042 191 Y CB 1.829 40.253 38.460 -0.059 0.000 1.289 191 Y HN 0.589 nan 8.280 nan 0.000 0.471 192 A N 1.291 124.131 122.820 0.032 0.000 2.512 192 A HA 0.623 4.948 4.320 0.008 0.000 0.294 192 A C -0.311 177.241 177.584 -0.054 0.000 1.054 192 A CA -0.338 51.649 52.037 -0.084 0.000 0.756 192 A CB 0.523 19.437 19.000 -0.145 0.000 1.293 192 A HN 1.617 nan 8.150 nan 0.000 0.395 193 G N 0.635 109.375 108.800 -0.100 0.000 2.432 193 G HA2 0.528 4.493 3.960 0.008 0.000 0.239 193 G HA3 0.528 4.493 3.960 0.008 0.000 0.239 193 G C 1.080 175.904 174.900 -0.128 0.000 1.291 193 G CA 0.344 45.377 45.100 -0.113 0.000 0.863 193 G HN 1.882 nan 8.290 nan 0.000 0.560 194 A N 1.673 124.425 122.820 -0.113 0.000 2.066 194 A HA -0.048 4.277 4.320 0.008 0.000 0.218 194 A C 2.174 179.666 177.584 -0.152 0.000 1.157 194 A CA 1.459 53.419 52.037 -0.129 0.000 0.670 194 A CB -0.155 18.766 19.000 -0.132 0.000 0.804 194 A HN 0.741 nan 8.150 nan 0.000 0.453 195 Q N -0.143 119.568 119.800 -0.147 0.000 2.452 195 Q HA 0.006 4.351 4.340 0.008 0.000 0.214 195 Q C 0.619 176.504 176.000 -0.192 0.000 0.966 195 Q CA 1.022 56.746 55.803 -0.132 0.000 0.964 195 Q CB -0.136 28.549 28.738 -0.088 0.000 0.992 195 Q HN 0.689 nan 8.270 nan 0.000 0.517 196 K N -0.457 119.755 120.400 -0.312 0.000 2.362 196 K HA 0.169 4.494 4.320 0.008 0.000 0.203 196 K C 1.115 177.434 176.600 -0.468 0.000 1.198 196 K CA 0.286 56.195 56.287 -0.631 0.000 0.908 196 K CB 0.490 32.357 32.500 -1.054 0.000 1.236 196 K HN 0.003 nan 8.250 nan 0.000 0.487 197 N N -0.045 118.476 118.700 -0.298 0.000 2.210 197 N HA 0.238 4.983 4.740 0.008 0.000 0.203 197 N C 0.793 176.263 175.510 -0.067 0.000 1.175 197 N CA 0.320 53.299 53.050 -0.118 0.000 0.894 197 N CB 1.040 39.478 38.487 -0.081 0.000 1.041 197 N HN 0.023 nan 8.380 nan 0.000 0.506 198 L N -1.577 119.581 121.223 -0.108 0.000 2.878 198 L HA 0.490 4.835 4.340 0.008 0.000 0.253 198 L C 0.767 177.564 176.870 -0.121 0.000 1.135 198 L CA -0.069 54.717 54.840 -0.090 0.000 0.943 198 L CB 0.960 42.962 42.059 -0.095 0.000 1.307 198 L HN 0.038 nan 8.230 nan 0.000 0.545 199 G N -0.031 108.689 108.800 -0.134 0.000 2.327 199 G HA2 0.209 4.174 3.960 0.008 0.000 0.291 199 G HA3 0.209 4.174 3.960 0.008 0.000 0.291 199 G C -3.232 171.596 174.900 -0.121 0.000 1.290 199 G CA -0.556 44.454 45.100 -0.150 0.000 0.857 199 G HN -0.313 nan 8.290 nan 0.000 0.520 200 P HA 0.485 nan 4.420 nan 0.000 0.281 200 P C 0.111 177.378 177.300 -0.055 0.000 1.281 200 P CA -0.273 62.794 63.100 -0.055 0.000 0.811 200 P CB 1.659 33.356 31.700 -0.006 0.000 1.154 201 S N -1.376 114.304 115.700 -0.032 0.000 2.579 201 S HA 0.444 4.919 4.470 0.008 0.000 0.275 201 S C 1.196 175.781 174.600 -0.025 0.000 1.345 201 S CA 1.096 59.275 58.200 -0.035 0.000 1.031 201 S CB -1.020 62.167 63.200 -0.020 0.000 0.892 201 S HN 0.872 nan 8.310 nan 0.000 0.529 202 G N 1.351 110.131 108.800 -0.034 0.000 2.480 202 G HA2 -0.117 3.848 3.960 0.008 0.000 0.193 202 G HA3 -0.117 3.848 3.960 0.008 0.000 0.193 202 G C -0.138 174.742 174.900 -0.034 0.000 1.004 202 G CA 0.039 45.125 45.100 -0.023 0.000 0.696 202 G HN 1.238 nan 8.290 nan 0.000 0.478 203 V N 1.485 121.365 119.914 -0.056 0.000 2.735 203 V HA 0.840 4.964 4.120 0.008 0.000 0.310 203 V C -0.706 175.359 176.094 -0.048 0.000 1.061 203 V CA 0.228 62.494 62.300 -0.056 0.000 0.913 203 V CB 2.278 34.029 31.823 -0.120 0.000 1.005 203 V HN 0.335 nan 8.190 nan 0.000 0.428 204 T N 5.237 119.789 114.554 -0.004 0.000 2.792 204 T HA 0.529 4.884 4.350 0.008 0.000 0.280 204 T C -0.628 174.131 174.700 0.098 0.000 0.990 204 T CA -0.287 61.822 62.100 0.014 0.000 0.960 204 T CB 1.468 70.329 68.868 -0.011 0.000 0.939 204 T HN 0.502 nan 8.240 nan 0.000 0.439 205 V N 4.251 124.224 119.914 0.098 0.000 2.432 205 V HA 0.439 4.563 4.120 0.008 0.000 0.275 205 V C -0.150 176.001 176.094 0.094 0.000 1.043 205 V CA -0.497 61.901 62.300 0.164 0.000 0.925 205 V CB 1.424 33.330 31.823 0.138 0.000 0.985 205 V HN 0.693 nan 8.190 nan 0.000 0.466 206 V N 6.875 126.829 119.914 0.067 0.000 2.443 206 V HA 0.495 4.620 4.120 0.008 0.000 0.293 206 V C -0.311 175.771 176.094 -0.020 0.000 1.021 206 V CA -0.393 61.931 62.300 0.039 0.000 0.848 206 V CB 1.709 33.566 31.823 0.058 0.000 0.998 206 V HN 0.678 nan 8.190 nan 0.000 0.424 207 I N 5.329 125.882 120.570 -0.029 0.000 2.330 207 I HA 0.584 4.758 4.170 0.008 0.000 0.289 207 I C -0.489 175.649 176.117 0.036 0.000 1.001 207 I CA -0.616 60.675 61.300 -0.016 0.000 1.193 207 I CB 1.801 39.764 38.000 -0.061 0.000 1.345 207 I HN 0.402 nan 8.210 nan 0.000 0.461 208 V N 6.771 126.718 119.914 0.056 0.000 2.709 208 V HA 0.381 4.506 4.120 0.008 0.000 0.308 208 V C -0.360 175.682 176.094 -0.085 0.000 1.062 208 V CA -0.881 61.403 62.300 -0.027 0.000 0.901 208 V CB 2.150 33.860 31.823 -0.188 0.000 1.003 208 V HN 0.746 nan 8.190 nan 0.000 0.425 209 K N 5.538 125.787 120.400 -0.251 0.000 2.402 209 K HA 0.202 4.527 4.320 0.008 0.000 0.285 209 K C 1.166 177.559 176.600 -0.344 0.000 1.054 209 K CA 0.223 56.125 56.287 -0.642 0.000 1.001 209 K CB 0.629 32.793 32.500 -0.561 0.000 0.946 209 K HN 0.708 nan 8.250 nan 0.000 0.473 210 K N 2.576 122.795 120.400 -0.301 0.000 2.009 210 K HA -0.191 4.134 4.320 0.008 0.000 0.210 210 K C 1.233 177.757 176.600 -0.128 0.000 1.049 210 K CA 2.199 58.390 56.287 -0.161 0.000 0.929 210 K CB -0.091 32.338 32.500 -0.119 0.000 0.714 210 K HN 0.857 nan 8.250 nan 0.000 0.440 211 D N 0.908 121.225 120.400 -0.139 0.000 2.310 211 D HA -0.169 4.476 4.640 0.008 0.000 0.212 211 D C 1.916 178.165 176.300 -0.085 0.000 0.965 211 D CA 0.681 54.623 54.000 -0.095 0.000 0.879 211 D CB -0.271 40.475 40.800 -0.090 0.000 0.921 211 D HN 0.088 nan 8.370 nan 0.000 0.510 212 L N -1.182 119.974 121.223 -0.111 0.000 2.072 212 L HA 0.143 4.487 4.340 0.008 0.000 0.205 212 L C 0.600 177.433 176.870 -0.063 0.000 1.079 212 L CA 1.051 55.838 54.840 -0.089 0.000 0.752 212 L CB 0.031 42.020 42.059 -0.118 0.000 0.906 212 L HN 0.147 nan 8.230 nan 0.000 0.436 218 E N 2.138 122.335 120.200 -0.006 0.000 2.480 218 E HA 0.368 4.723 4.350 0.008 0.000 0.258 218 E C 0.730 177.326 176.600 -0.007 0.000 0.984 218 E CA 0.865 57.260 56.400 -0.008 0.000 0.930 218 E CB 0.538 30.236 29.700 -0.003 0.000 0.936 218 E HN 1.145 nan 8.360 nan 0.000 0.466 219 Q N -1.071 118.722 119.800 -0.013 0.000 2.393 219 Q HA -0.145 4.200 4.340 0.008 0.000 0.211 219 Q C -0.260 175.731 176.000 -0.015 0.000 0.653 219 Q CA 0.780 56.577 55.803 -0.011 0.000 1.331 219 Q CB -1.671 27.065 28.738 -0.003 0.000 1.349 219 Q HN 0.599 nan 8.270 nan 0.000 0.824 220 V N 1.734 121.634 119.914 -0.024 0.000 2.509 220 V HA 0.324 4.449 4.120 0.008 0.000 0.284 220 V C -1.910 174.154 176.094 -0.050 0.000 1.047 220 V CA -1.334 60.946 62.300 -0.034 0.000 0.952 220 V CB 1.264 33.064 31.823 -0.039 0.000 0.988 220 V HN -0.014 nan 8.190 nan 0.000 0.469 221 P HA 0.030 nan 4.420 nan 0.000 0.264 221 P C 1.097 178.344 177.300 -0.087 0.000 1.179 221 P CA 0.383 63.454 63.100 -0.049 0.000 0.763 221 P CB 0.364 32.044 31.700 -0.033 0.000 0.806 222 T N 1.887 116.379 114.554 -0.103 0.000 2.653 222 T HA -0.197 4.158 4.350 0.008 0.000 0.268 222 T C 1.685 176.216 174.700 -0.281 0.000 1.035 222 T CA 1.407 63.383 62.100 -0.207 0.000 1.154 222 T CB -0.413 68.339 68.868 -0.193 0.000 0.862 222 T HN 0.382 nan 8.240 nan 0.000 0.441 223 M N 0.359 119.876 119.600 -0.138 0.000 2.460 223 M HA 0.151 4.636 4.480 0.008 0.000 0.263 223 M C 1.590 177.915 176.300 0.041 0.000 1.071 223 M CA 1.032 56.310 55.300 -0.037 0.000 1.096 223 M CB -0.847 31.803 32.600 0.083 0.000 1.408 223 M HN 0.273 nan 8.290 nan 0.000 0.463 224 L N -0.981 120.200 121.223 -0.070 0.000 2.640 224 L HA 0.121 4.465 4.340 0.008 0.000 0.230 224 L C 0.357 177.099 176.870 -0.213 0.000 1.123 224 L CA -0.111 54.656 54.840 -0.121 0.000 0.900 224 L CB 0.122 42.121 42.059 -0.100 0.000 1.146 224 L HN 0.186 nan 8.230 nan 0.000 0.484 225 Q N -0.881 118.804 119.800 -0.191 0.000 2.274 225 Q HA 0.126 4.471 4.340 0.008 0.000 0.256 225 Q C 0.101 176.016 176.000 -0.141 0.000 0.927 225 Q CA -0.299 55.395 55.803 -0.181 0.000 0.939 225 Q CB 1.054 29.701 28.738 -0.152 0.000 1.201 225 Q HN 0.179 nan 8.270 nan 0.000 0.426 226 Y N 1.138 121.455 120.300 0.028 0.000 2.274 226 Y HA -0.278 4.276 4.550 0.008 0.000 0.290 226 Y C 2.212 178.124 175.900 0.020 0.000 1.145 226 Y CA 1.111 59.250 58.100 0.064 0.000 1.203 226 Y CB 0.006 38.476 38.460 0.016 0.000 0.984 226 Y HN 0.805 nan 8.280 nan 0.000 0.533 227 A N -0.413 122.464 122.820 0.096 0.000 1.972 227 A HA -0.198 4.127 4.320 0.008 0.000 0.219 227 A C 2.246 179.788 177.584 -0.070 0.000 1.169 227 A CA 2.118 54.164 52.037 0.016 0.000 0.635 227 A CB -1.130 17.862 19.000 -0.013 0.000 0.810 227 A HN 0.399 nan 8.150 nan 0.000 0.446 228 T N -0.610 113.820 114.554 -0.206 0.000 2.684 228 T HA -0.155 4.200 4.350 0.008 0.000 0.267 228 T C 1.785 176.289 174.700 -0.327 0.000 1.036 228 T CA 1.698 63.541 62.100 -0.427 0.000 1.148 228 T CB -0.449 67.925 68.868 -0.824 0.000 0.863 228 T HN 0.666 nan 8.240 nan 0.000 0.436 229 H N 0.050 119.100 119.070 -0.033 0.000 2.436 229 H HA 0.210 4.771 4.556 0.008 0.000 0.294 229 H C 2.378 177.740 175.328 0.057 0.000 1.048 229 H CA 0.690 56.767 56.048 0.048 0.000 1.353 229 H CB -0.230 29.571 29.762 0.064 0.000 1.414 229 H HN 0.340 nan 8.280 nan 0.000 0.536 230 I N 1.095 121.751 120.570 0.142 0.000 2.179 230 I HA -0.267 3.907 4.170 0.008 0.000 0.242 230 I C 2.664 178.814 176.117 0.056 0.000 1.088 230 I CA 1.388 62.737 61.300 0.082 0.000 1.357 230 I CB -0.112 37.922 38.000 0.057 0.000 1.051 230 I HN 0.095 nan 8.210 nan 0.000 0.409 231 K N 0.939 121.357 120.400 0.031 0.000 2.097 231 K HA -0.119 4.206 4.320 0.008 0.000 0.206 231 K C 1.624 178.256 176.600 0.053 0.000 1.049 231 K CA 1.870 58.171 56.287 0.024 0.000 0.933 231 K CB -0.010 32.487 32.500 -0.005 0.000 0.717 231 K HN 0.151 nan 8.250 nan 0.000 0.442 232 S N 0.704 116.453 115.700 0.081 0.000 2.577 232 S HA 0.030 4.505 4.470 0.008 0.000 0.219 232 S C -0.427 174.259 174.600 0.144 0.000 0.962 232 S CA 0.274 58.550 58.200 0.127 0.000 0.921 232 S CB 0.062 63.385 63.200 0.206 0.000 0.789 232 S HN 0.505 nan 8.310 nan 0.000 0.497 233 D N 1.769 122.249 120.400 0.133 0.000 2.708 233 D HA -0.187 4.458 4.640 0.008 0.000 0.236 233 D C -0.030 176.431 176.300 0.269 0.000 1.146 233 D CA 0.802 54.895 54.000 0.155 0.000 0.662 233 D CB -2.026 38.857 40.800 0.138 0.000 1.059 233 D HN 0.296 nan 8.370 nan 0.000 0.428 234 S N -2.047 113.821 115.700 0.279 0.000 3.587 234 S HA -0.255 4.220 4.470 0.008 0.000 0.337 234 S C 0.939 175.753 174.600 0.357 0.000 1.119 234 S CA 0.915 59.333 58.200 0.363 0.000 0.976 234 S CB -1.406 61.997 63.200 0.340 0.000 0.922 234 S HN 0.604 nan 8.310 nan 0.000 0.503 235 L N -0.727 120.652 121.223 0.260 0.000 3.267 235 L HA 0.308 4.653 4.340 0.008 0.000 0.289 235 L C 1.389 178.382 176.870 0.205 0.000 1.260 235 L CA -0.254 54.698 54.840 0.186 0.000 1.034 235 L CB -0.029 42.074 42.059 0.073 0.000 1.413 235 L HN 0.394 nan 8.230 nan 0.000 0.594 236 Y N 2.034 122.416 120.300 0.137 0.000 2.145 236 Y HA -0.138 4.416 4.550 0.008 0.000 0.286 236 Y C 1.468 177.418 175.900 0.083 0.000 1.145 236 Y CA 1.443 59.586 58.100 0.072 0.000 1.148 236 Y CB 0.272 38.722 38.460 -0.017 0.000 0.981 236 Y HN 0.475 nan 8.280 nan 0.000 0.507 237 N N -1.266 117.436 118.700 0.002 0.000 2.906 237 N HA 0.143 4.887 4.740 0.008 0.000 0.327 237 N C -0.993 174.440 175.510 -0.129 0.000 1.344 237 N CA -0.253 52.723 53.050 -0.123 0.000 0.823 237 N CB 0.365 38.817 38.487 -0.060 0.000 1.351 237 N HN -0.062 nan 8.380 nan 0.000 0.604 238 T N 2.414 116.782 114.554 -0.311 0.000 2.799 238 T HA 0.266 4.620 4.350 0.008 0.000 0.296 238 T C -2.064 172.482 174.700 -0.257 0.000 0.947 238 T CA -0.454 61.279 62.100 -0.611 0.000 1.141 238 T CB 0.480 68.993 68.868 -0.592 0.000 0.891 238 T HN 0.467 nan 8.240 nan 0.000 0.533 239 P HA 0.301 nan 4.420 nan 0.000 0.276 239 P C -2.760 174.504 177.300 -0.061 0.000 1.261 239 P CA -2.119 60.985 63.100 0.007 0.000 0.800 239 P CB -0.105 31.720 31.700 0.207 0.000 1.066 240 P HA 0.038 nan 4.420 nan 0.000 0.260 240 P C 1.066 178.369 177.300 0.006 0.000 1.651 240 P CA 0.093 63.187 63.100 -0.010 0.000 1.139 240 P CB -0.594 31.108 31.700 0.003 0.000 1.756 241 T N -0.566 113.944 114.554 -0.072 0.000 2.777 241 T HA -0.200 4.155 4.350 0.008 0.000 0.266 241 T C 1.445 176.206 174.700 0.102 0.000 1.040 241 T CA 0.757 62.799 62.100 -0.096 0.000 1.141 241 T CB -1.048 67.559 68.868 -0.436 0.000 0.868 241 T HN 0.114 nan 8.240 nan 0.000 0.444 242 F N 2.193 122.122 119.950 -0.036 0.000 2.186 242 F HA 0.071 4.602 4.527 0.007 0.000 0.299 242 F C 2.521 178.366 175.800 0.075 0.000 1.090 242 F CA 0.927 58.940 58.000 0.021 0.000 1.307 242 F CB -0.442 38.542 39.000 -0.026 0.000 1.019 242 F HN 0.117 nan 8.300 nan 0.000 0.489 243 S N 0.613 116.327 115.700 0.024 0.000 2.383 243 S HA -0.121 4.354 4.470 0.008 0.000 0.227 243 S C 2.105 176.579 174.600 -0.211 0.000 1.026 243 S CA 1.471 59.610 58.200 -0.102 0.000 0.981 243 S CB -0.401 62.773 63.200 -0.042 0.000 0.818 243 S HN 0.385 nan 8.310 nan 0.000 0.472 244 I N 0.200 120.678 120.570 -0.153 0.000 2.353 244 I HA -0.160 4.015 4.170 0.008 0.000 0.248 244 I C 2.225 178.219 176.117 -0.205 0.000 1.119 244 I CA 1.102 62.243 61.300 -0.266 0.000 1.417 244 I CB -0.357 37.558 38.000 -0.141 0.000 1.078 244 I HN 0.302 nan 8.210 nan 0.000 0.421 245 Y N 1.287 121.449 120.300 -0.230 0.000 2.128 245 Y HA -0.292 4.263 4.550 0.008 0.000 0.284 245 Y C 2.528 178.213 175.900 -0.358 0.000 1.154 245 Y CA 1.750 59.680 58.100 -0.284 0.000 1.149 245 Y CB -0.091 38.161 38.460 -0.346 0.000 0.976 245 Y HN 0.006 nan 8.280 nan 0.000 0.505 246 M N -0.491 118.747 119.600 -0.603 0.000 2.254 246 M HA -0.101 4.383 4.480 0.008 0.000 0.265 246 M C 2.229 178.274 176.300 -0.425 0.000 1.066 246 M CA 1.093 56.025 55.300 -0.614 0.000 1.123 246 M CB -1.271 31.033 32.600 -0.493 0.000 1.388 246 M HN 0.529 nan 8.290 nan 0.000 0.425 247 L N 0.608 121.616 121.223 -0.360 0.000 2.012 247 L HA -0.182 4.162 4.340 0.008 0.000 0.210 247 L C 2.623 179.341 176.870 -0.253 0.000 1.073 247 L CA 1.931 56.596 54.840 -0.292 0.000 0.748 247 L CB -0.749 41.093 42.059 -0.360 0.000 0.891 247 L HN 0.182 nan 8.230 nan 0.000 0.431 248 R N 0.028 120.356 120.500 -0.286 0.000 2.094 248 R HA -0.213 4.132 4.340 0.008 0.000 0.239 248 R C 2.067 178.248 176.300 -0.200 0.000 1.137 248 R CA 2.089 58.064 56.100 -0.208 0.000 0.943 248 R CB -0.848 29.330 30.300 -0.204 0.000 0.850 248 R HN 0.502 nan 8.270 nan 0.000 0.433 249 N N 0.118 118.614 118.700 -0.340 0.000 2.104 249 N HA -0.139 4.606 4.740 0.008 0.000 0.190 249 N C 1.823 177.265 175.510 -0.112 0.000 1.024 249 N CA 1.420 54.314 53.050 -0.260 0.000 0.853 249 N CB -0.435 37.813 38.487 -0.398 0.000 1.008 249 N HN 0.041 nan 8.380 nan 0.000 0.424 250 V N 1.094 120.930 119.914 -0.130 0.000 2.358 250 V HA -0.143 3.982 4.120 0.008 0.000 0.246 250 V C 2.234 178.391 176.094 0.105 0.000 1.047 250 V CA 1.138 63.421 62.300 -0.028 0.000 1.035 250 V CB -0.511 31.259 31.823 -0.089 0.000 0.658 250 V HN 0.250 nan 8.190 nan 0.000 0.452 251 L N -0.422 120.811 121.223 0.017 0.000 2.083 251 L HA -0.175 4.170 4.340 0.008 0.000 0.209 251 L C 2.380 179.281 176.870 0.051 0.000 1.083 251 L CA 1.476 56.337 54.840 0.035 0.000 0.752 251 L CB -0.743 41.312 42.059 -0.008 0.000 0.899 251 L HN 0.309 nan 8.230 nan 0.000 0.433 252 D N -0.693 119.730 120.400 0.040 0.000 2.149 252 D HA -0.243 4.402 4.640 0.008 0.000 0.198 252 D C 1.773 178.128 176.300 0.092 0.000 0.990 252 D CA 1.141 55.168 54.000 0.045 0.000 0.839 252 D CB -0.112 40.706 40.800 0.030 0.000 0.948 252 D HN 0.439 nan 8.370 nan 0.000 0.460 253 W N 1.421 122.689 121.300 -0.052 0.000 2.381 253 W HA -0.067 4.597 4.660 0.006 0.000 0.301 253 W C 2.099 178.601 176.519 -0.029 0.000 1.205 253 W CA 0.967 58.289 57.345 -0.038 0.000 1.285 253 W CB -0.397 29.037 29.460 -0.043 0.000 1.133 253 W HN -0.138 nan 8.180 nan 0.000 0.521 254 I N 0.910 121.514 120.570 0.056 0.000 2.226 254 I HA -0.321 3.853 4.170 0.008 0.000 0.245 254 I C 2.526 178.530 176.117 -0.189 0.000 1.100 254 I CA 1.877 63.075 61.300 -0.171 0.000 1.374 254 I CB -0.742 37.277 38.000 0.031 0.000 1.057 254 I HN -0.011 nan 8.210 nan 0.000 0.413 255 K N 1.066 121.410 120.400 -0.093 0.000 2.057 255 K HA -0.225 4.100 4.320 0.008 0.000 0.207 255 K C 1.635 178.163 176.600 -0.119 0.000 1.049 255 K CA 1.927 58.164 56.287 -0.083 0.000 0.931 255 K CB -0.034 32.441 32.500 -0.041 0.000 0.714 255 K HN 0.163 nan 8.250 nan 0.000 0.440 256 D N 0.825 121.142 120.400 -0.137 0.000 2.218 256 D HA -0.134 4.511 4.640 0.008 0.000 0.204 256 D C 1.680 177.855 176.300 -0.208 0.000 0.976 256 D CA 1.105 55.020 54.000 -0.142 0.000 0.853 256 D CB -0.034 40.697 40.800 -0.114 0.000 0.939 256 D HN 0.373 nan 8.370 nan 0.000 0.481 257 L N -3.823 117.196 121.223 -0.339 0.000 2.558 257 L HA 0.465 4.809 4.340 0.008 0.000 0.225 257 L C 1.424 178.164 176.870 -0.216 0.000 1.128 257 L CA 0.742 55.377 54.840 -0.341 0.000 0.868 257 L CB -0.032 41.691 42.059 -0.559 0.000 1.006 257 L HN 0.026 nan 8.230 nan 0.000 0.454 258 G N -2.287 106.410 108.800 -0.172 0.000 2.198 258 G HA2 0.296 4.261 3.960 0.008 0.000 0.156 258 G HA3 0.296 4.261 3.960 0.008 0.000 0.156 258 G C 0.657 175.500 174.900 -0.096 0.000 1.012 258 G CA -0.387 44.646 45.100 -0.112 0.000 0.692 258 G HN 1.229 nan 8.290 nan 0.000 0.492 259 G N -0.692 108.040 108.800 -0.113 0.000 2.660 259 G HA2 0.312 4.277 3.960 0.008 0.000 0.215 259 G HA3 0.312 4.277 3.960 0.008 0.000 0.215 259 G C 1.154 176.018 174.900 -0.059 0.000 1.345 259 G CA 1.228 46.283 45.100 -0.075 0.000 0.877 259 G HN 1.817 nan 8.290 nan 0.000 0.549 260 A N -0.969 121.831 122.820 -0.032 0.000 1.969 260 A HA 0.168 4.493 4.320 0.008 0.000 0.218 260 A C 2.072 179.652 177.584 -0.007 0.000 1.169 260 A CA 2.349 54.379 52.037 -0.013 0.000 0.635 260 A CB -0.431 18.568 19.000 -0.002 0.000 0.810 260 A HN 0.811 nan 8.150 nan 0.000 0.445 261 E N -0.221 119.972 120.200 -0.012 0.000 2.106 261 E HA -0.016 4.339 4.350 0.008 0.000 0.192 261 E C 2.237 178.829 176.600 -0.014 0.000 0.984 261 E CA 0.946 57.343 56.400 -0.005 0.000 0.806 261 E CB -0.231 29.465 29.700 -0.006 0.000 0.750 261 E HN 0.612 nan 8.360 nan 0.000 0.458 262 A N 0.739 123.537 122.820 -0.036 0.000 1.898 262 A HA -0.139 4.186 4.320 0.008 0.000 0.216 262 A C 2.161 179.716 177.584 -0.050 0.000 1.181 262 A CA 0.903 52.910 52.037 -0.051 0.000 0.620 262 A CB -0.401 18.548 19.000 -0.086 0.000 0.819 262 A HN 0.236 nan 8.150 nan 0.000 0.442 263 I N -0.270 120.266 120.570 -0.055 0.000 2.493 263 I HA -0.141 4.034 4.170 0.008 0.000 0.254 263 I C 2.573 178.703 176.117 0.022 0.000 1.160 263 I CA 1.134 62.417 61.300 -0.027 0.000 1.445 263 I CB -0.138 37.853 38.000 -0.015 0.000 1.086 263 I HN 0.298 nan 8.210 nan 0.000 0.433 264 A N 0.029 122.864 122.820 0.025 0.000 1.902 264 A HA -0.243 4.082 4.320 0.008 0.000 0.217 264 A C 2.344 179.953 177.584 0.041 0.000 1.181 264 A CA 1.729 53.793 52.037 0.044 0.000 0.623 264 A CB -0.537 18.488 19.000 0.042 0.000 0.818 264 A HN 0.391 nan 8.150 nan 0.000 0.443 265 K N -0.836 119.578 120.400 0.023 0.000 2.057 265 K HA -0.226 4.099 4.320 0.008 0.000 0.207 265 K C 2.400 179.020 176.600 0.032 0.000 1.049 265 K CA 1.742 58.043 56.287 0.023 0.000 0.931 265 K CB -0.154 32.351 32.500 0.008 0.000 0.714 265 K HN 0.712 nan 8.250 nan 0.000 0.440 266 Q N 0.802 120.620 119.800 0.030 0.000 2.119 266 Q HA -0.150 4.194 4.340 0.008 0.000 0.201 266 Q C 1.609 177.649 176.000 0.067 0.000 0.972 266 Q CA 1.408 57.239 55.803 0.045 0.000 0.847 266 Q CB 0.117 28.882 28.738 0.045 0.000 0.903 266 Q HN 0.217 nan 8.270 nan 0.000 0.433 267 N N 0.616 119.362 118.700 0.076 0.000 2.188 267 N HA -0.136 4.609 4.740 0.008 0.000 0.184 267 N C 1.317 176.884 175.510 0.094 0.000 1.018 267 N CA 1.395 54.502 53.050 0.095 0.000 0.858 267 N CB -0.070 38.482 38.487 0.108 0.000 0.989 267 N HN 0.396 nan 8.380 nan 0.000 0.426 268 E N 0.300 120.549 120.200 0.082 0.000 2.150 268 E HA -0.174 4.181 4.350 0.008 0.000 0.193 268 E C 1.576 178.225 176.600 0.081 0.000 0.985 268 E CA 0.707 57.158 56.400 0.085 0.000 0.814 268 E CB 0.065 29.804 29.700 0.065 0.000 0.752 268 E HN 0.305 nan 8.360 nan 0.000 0.466 269 E N 1.685 121.924 120.200 0.066 0.000 2.072 269 E HA -0.174 4.181 4.350 0.008 0.000 0.191 269 E C 1.595 178.232 176.600 0.063 0.000 0.985 269 E CA 1.415 57.850 56.400 0.058 0.000 0.801 269 E CB 0.074 29.802 29.700 0.047 0.000 0.750 269 E HN 0.040 nan 8.360 nan 0.000 0.452 270 K N 0.028 120.470 120.400 0.070 0.000 2.009 270 K HA -0.097 4.227 4.320 0.008 0.000 0.210 270 K C 2.175 178.807 176.600 0.054 0.000 1.049 270 K CA 1.571 57.900 56.287 0.069 0.000 0.929 270 K CB -0.355 32.194 32.500 0.081 0.000 0.714 270 K HN 0.222 nan 8.250 nan 0.000 0.440 271 A N 1.575 124.443 122.820 0.080 0.000 1.902 271 A HA -0.230 4.095 4.320 0.008 0.000 0.217 271 A C 2.050 179.715 177.584 0.135 0.000 1.181 271 A CA 1.820 53.910 52.037 0.089 0.000 0.623 271 A CB -0.453 18.685 19.000 0.231 0.000 0.818 271 A HN 0.287 nan 8.150 nan 0.000 0.443 272 K N -0.098 120.389 120.400 0.146 0.000 2.063 272 K HA -0.153 4.172 4.320 0.008 0.000 0.208 272 K C 1.776 178.417 176.600 0.068 0.000 1.048 272 K CA 1.804 58.168 56.287 0.128 0.000 0.928 272 K CB -0.390 32.160 32.500 0.083 0.000 0.713 272 K HN 0.497 nan 8.250 nan 0.000 0.442 273 I N 0.998 121.585 120.570 0.029 0.000 2.208 273 I HA -0.312 3.863 4.170 0.008 0.000 0.245 273 I C 2.226 178.302 176.117 -0.069 0.000 1.097 273 I CA 1.379 62.673 61.300 -0.010 0.000 1.363 273 I CB -0.208 37.791 38.000 -0.001 0.000 1.051 273 I HN 0.219 nan 8.210 nan 0.000 0.413 274 I N -0.965 119.526 120.570 -0.131 0.000 2.333 274 I HA -0.238 3.937 4.170 0.008 0.000 0.246 274 I C 2.336 178.284 176.117 -0.283 0.000 1.106 274 I CA 1.347 62.477 61.300 -0.285 0.000 1.411 274 I CB -0.467 37.301 38.000 -0.387 0.000 1.082 274 I HN 0.133 nan 8.210 nan 0.000 0.420 275 Y N 1.207 121.450 120.300 -0.095 0.000 2.242 275 Y HA -0.230 4.325 4.550 0.009 0.000 0.291 275 Y C 2.338 178.196 175.900 -0.070 0.000 1.137 275 Y CA 0.899 58.952 58.100 -0.078 0.000 1.181 275 Y CB -0.220 38.223 38.460 -0.029 0.000 0.989 275 Y HN 0.162 nan 8.280 nan 0.000 0.527 276 D N -0.724 119.732 120.400 0.093 0.000 2.144 276 D HA -0.139 4.506 4.640 0.008 0.000 0.199 276 D C 2.080 178.380 176.300 0.001 0.000 0.984 276 D CA 1.687 55.713 54.000 0.043 0.000 0.834 276 D CB -0.461 40.355 40.800 0.028 0.000 0.955 276 D HN 0.253 nan 8.370 nan 0.000 0.465 277 T N 0.777 115.295 114.554 -0.059 0.000 2.746 277 T HA -0.067 4.288 4.350 0.008 0.000 0.267 277 T C 2.214 176.870 174.700 -0.073 0.000 1.039 277 T CA 0.551 62.593 62.100 -0.097 0.000 1.142 277 T CB -0.145 68.600 68.868 -0.204 0.000 0.866 277 T HN 0.151 nan 8.240 nan 0.000 0.444 278 I N 1.258 121.750 120.570 -0.131 0.000 2.179 278 I HA -0.167 4.007 4.170 0.008 0.000 0.242 278 I C 2.240 178.393 176.117 0.060 0.000 1.088 278 I CA 1.220 62.491 61.300 -0.048 0.000 1.357 278 I CB -0.293 37.651 38.000 -0.094 0.000 1.051 278 I HN 0.118 nan 8.210 nan 0.000 0.409 279 D N 0.557 120.990 120.400 0.054 0.000 2.219 279 D HA -0.149 4.496 4.640 0.008 0.000 0.205 279 D C 1.809 178.138 176.300 0.048 0.000 0.970 279 D CA 1.078 55.111 54.000 0.054 0.000 0.851 279 D CB -0.151 40.676 40.800 0.046 0.000 0.943 279 D HN 0.431 nan 8.370 nan 0.000 0.488 280 E N 0.007 120.233 120.200 0.043 0.000 2.489 280 E HA -0.007 4.348 4.350 0.008 0.000 0.193 280 E C 1.364 177.996 176.600 0.053 0.000 1.057 280 E CA -0.006 56.417 56.400 0.037 0.000 0.866 280 E CB 0.241 29.955 29.700 0.022 0.000 0.916 280 E HN 0.131 nan 8.360 nan 0.000 0.500 281 S N -0.006 115.750 115.700 0.094 0.000 2.593 281 S HA -0.009 4.466 4.470 0.008 0.000 0.217 281 S C 0.304 174.964 174.600 0.100 0.000 0.966 281 S CA -0.094 58.184 58.200 0.130 0.000 0.914 281 S CB -0.422 62.960 63.200 0.304 0.000 0.776 281 S HN 0.284 nan 8.310 nan 0.000 0.523 282 N N 0.994 119.736 118.700 0.070 0.000 2.740 282 N HA -0.161 4.583 4.740 0.008 0.000 0.248 282 N C 0.667 176.217 175.510 0.066 0.000 1.062 282 N CA 0.271 53.353 53.050 0.054 0.000 0.704 282 N CB -1.550 36.960 38.487 0.037 0.000 0.968 282 N HN 0.850 nan 8.380 nan 0.000 0.547 283 G N -1.226 107.617 108.800 0.071 0.000 2.184 283 G HA2 -0.404 3.561 3.960 0.008 0.000 0.264 283 G HA3 -0.404 3.561 3.960 0.008 0.000 0.264 283 G C 0.568 175.485 174.900 0.028 0.000 0.975 283 G CA 0.470 45.598 45.100 0.047 0.000 0.642 283 G HN 0.486 nan 8.290 nan 0.000 0.536 284 F N 0.604 120.482 119.950 -0.120 0.000 2.146 284 F HA 0.332 4.864 4.527 0.008 0.000 0.298 284 F C 1.187 176.734 175.800 -0.423 0.000 1.096 284 F CA 0.961 58.790 58.000 -0.285 0.000 1.275 284 F CB 0.089 38.852 39.000 -0.395 0.000 1.008 284 F HN 0.229 nan 8.300 nan 0.000 0.480 285 Y N -0.072 120.286 120.300 0.096 0.000 2.341 285 Y HA 0.525 5.080 4.550 0.008 0.000 0.337 285 Y C -0.527 175.381 175.900 0.012 0.000 1.014 285 Y CA -1.207 56.889 58.100 -0.006 0.000 1.111 285 Y CB 1.450 39.844 38.460 -0.109 0.000 1.194 285 Y HN -0.451 nan 8.280 nan 0.000 0.462 286 V N 3.008 123.039 119.914 0.196 0.000 2.444 286 V HA 0.540 4.665 4.120 0.008 0.000 0.294 286 V C 0.334 176.556 176.094 0.214 0.000 1.022 286 V CA -0.965 61.424 62.300 0.149 0.000 0.850 286 V CB 1.545 33.419 31.823 0.085 0.000 0.992 286 V HN 0.975 nan 8.190 nan 0.000 0.426 287 G N 1.086 110.007 108.800 0.201 0.000 2.467 287 G HA2 0.274 4.239 3.960 0.008 0.000 0.257 287 G HA3 0.274 4.239 3.960 0.008 0.000 0.257 287 G C 0.496 175.536 174.900 0.232 0.000 1.227 287 G CA 0.051 45.310 45.100 0.266 0.000 0.835 287 G HN 0.996 nan 8.290 nan 0.000 0.556 288 H N 1.754 120.937 119.070 0.189 0.000 2.372 288 H HA 0.295 4.856 4.556 0.008 0.000 0.301 288 H C 1.749 177.171 175.328 0.156 0.000 1.065 288 H CA 1.130 57.274 56.048 0.161 0.000 1.364 288 H CB 0.036 29.902 29.762 0.172 0.000 1.406 288 H HN 0.604 nan 8.280 nan 0.000 0.521 289 A N 1.019 123.903 122.820 0.106 0.000 2.425 289 A HA 0.126 4.451 4.320 0.008 0.000 0.249 289 A C -0.008 177.553 177.584 -0.037 0.000 1.084 289 A CA -0.404 51.650 52.037 0.028 0.000 0.781 289 A CB 0.078 19.172 19.000 0.157 0.000 1.019 289 A HN 0.675 nan 8.150 nan 0.000 0.490 290 E N 1.019 121.177 120.200 -0.071 0.000 2.442 290 E HA -0.007 4.348 4.350 0.008 0.000 0.262 290 E C 0.691 177.245 176.600 -0.076 0.000 1.004 290 E CA -0.046 56.313 56.400 -0.068 0.000 0.928 290 E CB 0.623 30.282 29.700 -0.068 0.000 0.937 290 E HN 0.619 nan 8.360 nan 0.000 0.446 291 K N 1.913 122.258 120.400 -0.091 0.000 2.074 291 K HA -0.182 4.142 4.320 0.008 0.000 0.209 291 K C 1.889 178.404 176.600 -0.140 0.000 1.048 291 K CA 1.428 57.633 56.287 -0.137 0.000 0.926 291 K CB -0.270 32.162 32.500 -0.113 0.000 0.713 291 K HN 0.681 nan 8.250 nan 0.000 0.444 292 G N 0.239 108.975 108.800 -0.106 0.000 2.559 292 G HA2 -0.144 3.821 3.960 0.008 0.000 0.216 292 G HA3 -0.144 3.821 3.960 0.008 0.000 0.216 292 G C 1.125 175.966 174.900 -0.099 0.000 1.126 292 G CA 0.471 45.509 45.100 -0.103 0.000 0.778 292 G HN 0.171 nan 8.290 nan 0.000 0.543 293 S N -0.535 115.116 115.700 -0.082 0.000 2.629 293 S HA 0.258 4.733 4.470 0.008 0.000 0.236 293 S C 0.801 175.397 174.600 -0.008 0.000 1.010 293 S CA -0.671 57.500 58.200 -0.049 0.000 0.981 293 S CB 0.560 63.740 63.200 -0.034 0.000 0.919 293 S HN 0.309 nan 8.310 nan 0.000 0.514 294 R N 2.497 122.957 120.500 -0.066 0.000 2.502 294 R HA 0.113 4.458 4.340 0.008 0.000 0.292 294 R C 0.440 176.790 176.300 0.083 0.000 0.998 294 R CA 0.146 56.212 56.100 -0.055 0.000 1.056 294 R CB 0.306 30.314 30.300 -0.486 0.000 0.939 294 R HN 0.150 nan 8.270 nan 0.000 0.411 295 S N 2.731 118.571 115.700 0.233 0.000 2.562 295 S HA 0.069 4.544 4.470 0.008 0.000 0.281 295 S C 1.285 176.072 174.600 0.313 0.000 1.333 295 S CA -0.581 57.770 58.200 0.252 0.000 1.052 295 S CB 0.538 63.894 63.200 0.261 0.000 0.884 295 S HN 0.567 nan 8.310 nan 0.000 0.506 296 L N 4.142 125.509 121.223 0.241 0.000 2.591 296 L HA 0.094 4.439 4.340 0.008 0.000 0.228 296 L C 1.736 178.717 176.870 0.185 0.000 1.133 296 L CA 0.177 55.153 54.840 0.227 0.000 0.880 296 L CB -0.233 41.930 42.059 0.174 0.000 1.033 296 L HN 0.661 nan 8.230 nan 0.000 0.450 297 M N -1.056 118.658 119.600 0.191 0.000 2.740 297 M HA 0.161 4.646 4.480 0.008 0.000 0.253 297 M C -0.169 176.168 176.300 0.061 0.000 1.341 297 M CA 0.691 56.096 55.300 0.175 0.000 1.176 297 M CB -0.051 32.728 32.600 0.298 0.000 1.310 297 M HN 0.110 nan 8.290 nan 0.000 0.531 298 N N 0.291 119.063 118.700 0.121 0.000 2.504 298 N HA 0.375 5.119 4.740 0.008 0.000 0.280 298 N C -1.198 174.383 175.510 0.117 0.000 1.052 298 N CA -0.173 52.925 53.050 0.080 0.000 0.887 298 N CB 2.618 41.185 38.487 0.134 0.000 1.323 298 N HN -0.205 nan 8.380 nan 0.000 0.509 299 V N 1.816 121.764 119.914 0.056 0.000 2.348 299 V HA 0.419 4.544 4.120 0.008 0.000 0.270 299 V C 0.249 176.445 176.094 0.170 0.000 1.037 299 V CA -0.559 61.766 62.300 0.041 0.000 0.872 299 V CB 0.582 32.260 31.823 -0.242 0.000 1.002 299 V HN 0.750 nan 8.190 nan 0.000 0.464 300 T N 3.208 117.900 114.554 0.229 0.000 2.829 300 T HA 0.867 5.222 4.350 0.008 0.000 0.282 300 T C -0.730 174.156 174.700 0.309 0.000 0.990 300 T CA -0.531 61.672 62.100 0.173 0.000 1.028 300 T CB 1.378 70.318 68.868 0.121 0.000 0.951 300 T HN 0.686 nan 8.240 nan 0.000 0.460 301 F N 0.076 120.038 119.950 0.021 0.000 2.770 301 F HA 0.729 5.261 4.527 0.007 0.000 0.313 301 F C -1.614 174.179 175.800 -0.012 0.000 1.154 301 F CA -1.375 56.637 58.000 0.021 0.000 0.923 301 F CB 0.984 39.968 39.000 -0.026 0.000 1.301 301 F HN 0.810 nan 8.300 nan 0.000 0.449 302 N N 0.513 119.300 118.700 0.145 0.000 2.455 302 N HA 0.723 5.468 4.740 0.008 0.000 0.278 302 N C -1.991 173.554 175.510 0.058 0.000 1.291 302 N CA -0.896 52.155 53.050 0.002 0.000 0.780 302 N CB 2.064 40.535 38.487 -0.027 0.000 1.520 302 N HN 0.653 nan 8.380 nan 0.000 0.486 303 L N 0.213 121.391 121.223 -0.075 0.000 2.567 303 L HA 0.479 4.824 4.340 0.008 0.000 0.238 303 L C 1.926 178.648 176.870 -0.246 0.000 1.168 303 L CA -0.510 54.169 54.840 -0.268 0.000 0.817 303 L CB 0.342 42.205 42.059 -0.326 0.000 1.409 303 L HN 0.610 nan 8.230 nan 0.000 0.502 304 R N -0.265 120.021 120.500 -0.358 0.000 2.189 304 R HA -0.041 4.304 4.340 0.008 0.000 0.218 304 R C -0.425 175.802 176.300 -0.123 0.000 1.074 304 R CA 0.880 56.852 56.100 -0.213 0.000 0.991 304 R CB -0.310 29.856 30.300 -0.224 0.000 0.883 304 R HN 0.821 nan 8.270 nan 0.000 0.457 305 N N -2.186 116.446 118.700 -0.114 0.000 2.853 305 N HA -0.013 4.732 4.740 0.008 0.000 0.258 305 N C 0.000 175.485 175.510 -0.042 0.000 1.444 305 N CA -0.696 52.319 53.050 -0.058 0.000 0.837 305 N CB 0.667 39.130 38.487 -0.039 0.000 1.489 305 N HN -0.329 nan 8.380 nan 0.000 0.529 306 E N -0.062 120.124 120.200 -0.023 0.000 2.110 306 E HA -0.209 4.145 4.350 0.008 0.000 0.193 306 E C 1.214 177.815 176.600 0.003 0.000 0.988 306 E CA 1.651 58.042 56.400 -0.015 0.000 0.804 306 E CB -0.044 29.649 29.700 -0.011 0.000 0.745 306 E HN 0.721 nan 8.360 nan 0.000 0.458 307 E N -0.137 120.071 120.200 0.014 0.000 2.072 307 E HA -0.167 4.187 4.350 0.008 0.000 0.191 307 E C 2.103 178.749 176.600 0.076 0.000 0.985 307 E CA 0.988 57.412 56.400 0.039 0.000 0.801 307 E CB -0.146 29.576 29.700 0.037 0.000 0.750 307 E HN 0.360 nan 8.360 nan 0.000 0.452 308 L N 1.012 122.278 121.223 0.071 0.000 2.083 308 L HA -0.188 4.156 4.340 0.008 0.000 0.209 308 L C 2.468 179.412 176.870 0.124 0.000 1.083 308 L CA 0.805 55.733 54.840 0.146 0.000 0.752 308 L CB -0.531 41.555 42.059 0.044 0.000 0.899 308 L HN 0.190 nan 8.230 nan 0.000 0.433 309 N N -0.248 118.471 118.700 0.033 0.000 2.036 309 N HA -0.228 4.517 4.740 0.008 0.000 0.195 309 N C 1.901 177.447 175.510 0.060 0.000 1.037 309 N CA 1.364 54.426 53.050 0.020 0.000 0.855 309 N CB -0.214 38.258 38.487 -0.026 0.000 1.033 309 N HN 0.289 nan 8.380 nan 0.000 0.423 310 Q N 0.719 120.546 119.800 0.045 0.000 2.084 310 Q HA -0.094 4.250 4.340 0.008 0.000 0.202 310 Q C 2.039 178.073 176.000 0.057 0.000 0.978 310 Q CA 1.117 56.942 55.803 0.037 0.000 0.844 310 Q CB -0.275 28.481 28.738 0.031 0.000 0.898 310 Q HN 0.578 nan 8.270 nan 0.000 0.426 311 Q N -0.588 119.287 119.800 0.125 0.000 2.084 311 Q HA -0.155 4.190 4.340 0.008 0.000 0.202 311 Q C 1.893 177.930 176.000 0.061 0.000 0.978 311 Q CA 1.239 57.162 55.803 0.200 0.000 0.844 311 Q CB -0.235 28.761 28.738 0.430 0.000 0.898 311 Q HN 0.276 nan 8.270 nan 0.000 0.426 312 F N 1.139 120.876 119.950 -0.356 0.000 2.069 312 F HA -0.219 4.313 4.527 0.009 0.000 0.298 312 F C 1.747 177.328 175.800 -0.365 0.000 1.113 312 F CA 1.390 58.899 58.000 -0.818 0.000 1.214 312 F CB -0.187 38.405 39.000 -0.680 0.000 0.978 312 F HN -0.036 nan 8.300 nan 0.000 0.474 313 L N -0.178 120.898 121.223 -0.245 0.000 2.093 313 L HA -0.152 4.192 4.340 0.008 0.000 0.208 313 L C 2.776 179.512 176.870 -0.224 0.000 1.085 313 L CA 1.010 55.682 54.840 -0.280 0.000 0.755 313 L CB -1.118 40.891 42.059 -0.083 0.000 0.904 313 L HN 0.273 nan 8.230 nan 0.000 0.435 314 A N 0.316 123.060 122.820 -0.127 0.000 1.902 314 A HA -0.260 4.064 4.320 0.008 0.000 0.217 314 A C 2.309 179.851 177.584 -0.071 0.000 1.181 314 A CA 2.060 54.061 52.037 -0.061 0.000 0.623 314 A CB -0.385 18.615 19.000 -0.000 0.000 0.818 314 A HN 0.258 nan 8.150 nan 0.000 0.443 315 K N 0.242 120.573 120.400 -0.115 0.000 2.057 315 K HA 0.038 4.363 4.320 0.008 0.000 0.206 315 K C 1.978 178.504 176.600 -0.122 0.000 1.050 315 K CA 1.614 57.864 56.287 -0.062 0.000 0.935 315 K CB -0.580 31.933 32.500 0.023 0.000 0.715 315 K HN 0.302 nan 8.250 nan 0.000 0.439 316 A N 1.220 123.819 122.820 -0.368 0.000 1.883 316 A HA -0.251 4.073 4.320 0.008 0.000 0.217 316 A C 2.170 179.809 177.584 0.092 0.000 1.186 316 A CA 2.188 54.052 52.037 -0.289 0.000 0.624 316 A CB -0.708 17.902 19.000 -0.650 0.000 0.822 316 A HN 0.472 nan 8.150 nan 0.000 0.444 317 K N -0.020 120.384 120.400 0.007 0.000 2.097 317 K HA -0.207 4.118 4.320 0.008 0.000 0.206 317 K C 2.064 178.714 176.600 0.083 0.000 1.049 317 K CA 1.675 58.004 56.287 0.070 0.000 0.933 317 K CB -0.200 32.312 32.500 0.020 0.000 0.717 317 K HN 0.677 nan 8.250 nan 0.000 0.442 318 E N -0.016 120.222 120.200 0.063 0.000 2.150 318 E HA -0.194 4.161 4.350 0.008 0.000 0.193 318 E C 1.225 177.884 176.600 0.098 0.000 0.985 318 E CA 0.868 57.308 56.400 0.066 0.000 0.814 318 E CB 0.150 29.884 29.700 0.057 0.000 0.752 318 E HN 0.312 nan 8.360 nan 0.000 0.466 319 Q N -0.417 119.484 119.800 0.169 0.000 2.365 319 Q HA 0.104 4.449 4.340 0.008 0.000 0.203 319 Q C 0.941 177.051 176.000 0.182 0.000 0.929 319 Q CA 0.782 56.723 55.803 0.229 0.000 0.948 319 Q CB 1.126 30.091 28.738 0.378 0.000 1.043 319 Q HN 0.544 nan 8.270 nan 0.000 0.505 320 G N 0.428 109.298 108.800 0.117 0.000 2.176 320 G HA2 -0.244 3.721 3.960 0.008 0.000 0.232 320 G HA3 -0.244 3.721 3.960 0.008 0.000 0.232 320 G C -0.154 174.742 174.900 -0.007 0.000 0.986 320 G CA -0.475 44.608 45.100 -0.029 0.000 0.643 320 G HN 0.277 nan 8.290 nan 0.000 0.522 321 F N 0.734 120.831 119.950 0.246 0.000 2.456 321 F HA 0.556 5.088 4.527 0.009 0.000 0.358 321 F C 0.796 176.701 175.800 0.174 0.000 1.095 321 F CA -0.410 57.767 58.000 0.295 0.000 1.216 321 F CB 1.579 40.670 39.000 0.151 0.000 1.125 321 F HN -0.021 nan 8.300 nan 0.000 0.549 322 V N 2.052 122.187 119.914 0.368 0.000 2.555 322 V HA 0.661 4.785 4.120 0.008 0.000 0.302 322 V C 0.483 176.728 176.094 0.252 0.000 1.038 322 V CA -0.348 62.088 62.300 0.226 0.000 0.887 322 V CB 1.090 32.993 31.823 0.134 0.000 0.991 322 V HN 0.980 nan 8.190 nan 0.000 0.434 323 G N 3.416 112.314 108.800 0.164 0.000 2.157 323 G HA2 -0.212 3.753 3.960 0.008 0.000 0.239 323 G HA3 -0.212 3.753 3.960 0.008 0.000 0.239 323 G C 0.517 175.484 174.900 0.112 0.000 0.982 323 G CA 0.343 45.529 45.100 0.142 0.000 0.650 323 G HN 0.633 nan 8.290 nan 0.000 0.527 324 L N -0.019 121.248 121.223 0.074 0.000 2.478 324 L HA 0.139 4.483 4.340 0.008 0.000 0.223 324 L C 1.280 178.113 176.870 -0.061 0.000 1.140 324 L CA 0.013 54.841 54.840 -0.019 0.000 0.842 324 L CB -0.330 41.675 42.059 -0.091 0.000 0.953 324 L HN 0.179 nan 8.230 nan 0.000 0.452 325 N N 0.942 119.620 118.700 -0.037 0.000 2.412 325 N HA 0.093 4.838 4.740 0.008 0.000 0.258 325 N C 0.572 176.041 175.510 -0.068 0.000 1.236 325 N CA 0.469 53.483 53.050 -0.061 0.000 0.882 325 N CB 0.559 39.021 38.487 -0.042 0.000 1.066 325 N HN 0.105 nan 8.380 nan 0.000 0.465 326 G N 0.738 109.475 108.800 -0.106 0.000 2.664 326 G HA2 -0.071 3.893 3.960 0.008 0.000 0.242 326 G HA3 -0.071 3.893 3.960 0.008 0.000 0.242 326 G C -0.166 174.709 174.900 -0.042 0.000 1.225 326 G CA -0.329 44.718 45.100 -0.090 0.000 0.849 326 G HN 0.672 nan 8.290 nan 0.000 0.581 327 H N 0.863 119.871 119.070 -0.103 0.000 3.038 327 H HA -0.058 4.503 4.556 0.008 0.000 0.338 327 H C 2.042 177.312 175.328 -0.097 0.000 1.041 327 H CA 0.520 56.515 56.048 -0.088 0.000 1.394 327 H CB 0.709 30.396 29.762 -0.124 0.000 1.357 327 H HN 0.681 nan 8.280 nan 0.000 0.600 328 R N 2.172 122.345 120.500 -0.545 0.000 2.127 328 R HA -0.143 4.202 4.340 0.008 0.000 0.238 328 R C 1.743 177.968 176.300 -0.126 0.000 1.134 328 R CA 1.668 57.599 56.100 -0.282 0.000 0.975 328 R CB -0.565 29.563 30.300 -0.287 0.000 0.865 328 R HN 0.556 nan 8.270 nan 0.000 0.447 329 S N 0.781 116.482 115.700 0.001 0.000 2.447 329 S HA -0.075 4.400 4.470 0.008 0.000 0.233 329 S C 1.963 176.587 174.600 0.040 0.000 1.006 329 S CA 0.928 59.195 58.200 0.112 0.000 0.957 329 S CB -0.042 63.307 63.200 0.248 0.000 0.773 329 S HN 0.423 nan 8.310 nan 0.000 0.507 330 V N -3.410 116.499 119.914 -0.008 0.000 3.497 330 V HA 0.637 4.762 4.120 0.008 0.000 0.272 330 V C 1.277 177.320 176.094 -0.084 0.000 1.474 330 V CA 0.131 62.377 62.300 -0.090 0.000 1.025 330 V CB -0.771 30.884 31.823 -0.280 0.000 0.820 330 V HN 0.824 nan 8.190 nan 0.000 0.437 331 G N 0.777 109.530 108.800 -0.079 0.000 2.575 331 G HA2 0.233 4.198 3.960 0.008 0.000 0.267 331 G HA3 0.233 4.198 3.960 0.008 0.000 0.267 331 G C 1.061 175.893 174.900 -0.114 0.000 1.264 331 G CA 0.423 45.472 45.100 -0.084 0.000 0.935 331 G HN 2.400 nan 8.290 nan 0.000 0.568 332 G N -2.172 106.559 108.800 -0.115 0.000 2.569 332 G HA2 0.111 4.076 3.960 0.008 0.000 0.259 332 G HA3 0.111 4.076 3.960 0.008 0.000 0.259 332 G C 0.422 175.171 174.900 -0.251 0.000 1.263 332 G CA 0.959 45.955 45.100 -0.174 0.000 0.928 332 G HN 2.324 nan 8.290 nan 0.000 0.572 333 C N -0.651 118.377 119.300 -0.454 0.000 2.707 333 C HA 0.935 5.400 4.460 0.008 0.000 0.313 333 C C 0.373 175.048 174.990 -0.524 0.000 1.209 333 C CA -0.553 58.111 59.018 -0.591 0.000 1.635 333 C CB 1.802 28.860 27.740 -1.136 0.000 2.206 333 C HN 1.000 nan 8.230 nan 0.000 0.485 334 R N 1.086 121.406 120.500 -0.301 0.000 2.510 334 R HA 0.612 4.957 4.340 0.008 0.000 0.294 334 R C -1.179 175.089 176.300 -0.054 0.000 1.056 334 R CA -0.081 55.941 56.100 -0.131 0.000 0.918 334 R CB 1.119 31.391 30.300 -0.047 0.000 1.187 334 R HN 0.953 nan 8.270 nan 0.000 0.437 335 A N 3.194 126.019 122.820 0.009 0.000 2.280 335 A HA 0.410 4.734 4.320 0.008 0.000 0.320 335 A C -0.593 177.045 177.584 0.089 0.000 1.366 335 A CA -0.455 51.593 52.037 0.018 0.000 0.938 335 A CB 1.029 19.976 19.000 -0.089 0.000 1.157 335 A HN 0.650 nan 8.150 nan 0.000 0.536 336 S N 2.179 117.939 115.700 0.099 0.000 2.465 336 S HA 0.397 4.872 4.470 0.008 0.000 0.279 336 S C 0.500 174.988 174.600 -0.186 0.000 1.201 336 S CA -0.293 57.777 58.200 -0.217 0.000 1.053 336 S CB 0.059 63.017 63.200 -0.404 0.000 0.953 336 S HN 0.726 nan 8.310 nan 0.000 0.488 337 I N 0.354 120.775 120.570 -0.247 0.000 3.064 337 I HA 0.401 4.576 4.170 0.008 0.000 0.340 337 I C -0.493 175.600 176.117 -0.041 0.000 1.405 337 I CA -0.867 60.384 61.300 -0.082 0.000 0.912 337 I CB -0.357 37.679 38.000 0.059 0.000 1.993 337 I HN 0.446 nan 8.210 nan 0.000 0.547 338 Y N 0.663 121.007 120.300 0.072 0.000 2.379 338 Y HA 0.015 4.570 4.550 0.008 0.000 0.354 338 Y C 1.807 177.745 175.900 0.063 0.000 1.269 338 Y CA -0.288 57.848 58.100 0.060 0.000 1.532 338 Y CB 0.076 38.557 38.460 0.035 0.000 1.371 338 Y HN 0.266 nan 8.280 nan 0.000 0.666 339 N N 0.647 119.508 118.700 0.269 0.000 2.069 339 N HA -0.250 4.495 4.740 0.008 0.000 0.196 339 N C 1.506 177.169 175.510 0.256 0.000 1.024 339 N CA 1.836 55.036 53.050 0.250 0.000 0.869 339 N CB -0.599 38.052 38.487 0.272 0.000 1.035 339 N HN 0.711 nan 8.380 nan 0.000 0.434 340 A N 0.204 123.084 122.820 0.101 0.000 2.251 340 A HA 0.173 4.498 4.320 0.008 0.000 0.209 340 A C 0.578 178.136 177.584 -0.043 0.000 1.187 340 A CA -0.167 51.816 52.037 -0.089 0.000 0.823 340 A CB 0.178 18.986 19.000 -0.320 0.000 0.846 340 A HN 0.025 nan 8.150 nan 0.000 0.486 341 V N 3.383 123.295 119.914 -0.004 0.000 2.485 341 V HA 0.141 4.266 4.120 0.008 0.000 0.287 341 V C -2.023 174.059 176.094 -0.019 0.000 1.022 341 V CA -1.094 61.155 62.300 -0.086 0.000 1.067 341 V CB 0.487 32.214 31.823 -0.160 0.000 0.967 341 V HN 0.336 nan 8.190 nan 0.000 0.479 342 P HA 0.343 nan 4.420 nan 0.000 0.279 342 P C 1.127 178.460 177.300 0.055 0.000 1.252 342 P CA -0.460 62.673 63.100 0.054 0.000 0.811 342 P CB 1.248 32.983 31.700 0.058 0.000 1.035 343 I N 0.256 120.872 120.570 0.077 0.000 2.264 343 I HA -0.252 3.923 4.170 0.008 0.000 0.248 343 I C 1.445 177.608 176.117 0.076 0.000 1.111 343 I CA 1.666 63.010 61.300 0.074 0.000 1.382 343 I CB -0.547 37.493 38.000 0.068 0.000 1.060 343 I HN 0.297 nan 8.210 nan 0.000 0.418 344 D N 1.013 121.463 120.400 0.084 0.000 2.178 344 D HA -0.128 4.517 4.640 0.008 0.000 0.201 344 D C 2.223 178.586 176.300 0.105 0.000 0.980 344 D CA 1.365 55.423 54.000 0.097 0.000 0.842 344 D CB -0.043 40.828 40.800 0.118 0.000 0.948 344 D HN 0.357 nan 8.370 nan 0.000 0.472 345 A N -0.063 122.831 122.820 0.123 0.000 1.930 345 A HA -0.156 4.169 4.320 0.008 0.000 0.217 345 A C 2.460 180.184 177.584 0.234 0.000 1.175 345 A CA 1.082 53.197 52.037 0.130 0.000 0.627 345 A CB -0.777 18.239 19.000 0.027 0.000 0.815 345 A HN 0.351 nan 8.150 nan 0.000 0.443 346 C N -0.625 118.808 119.300 0.221 0.000 2.440 346 C HA -0.016 4.448 4.460 0.008 0.000 0.278 346 C C 2.528 177.575 174.990 0.095 0.000 1.295 346 C CA 0.739 59.900 59.018 0.239 0.000 1.738 346 C CB -1.306 26.527 27.740 0.155 0.000 1.987 346 C HN 0.619 nan 8.230 nan 0.000 0.492 347 I N 1.609 122.216 120.570 0.061 0.000 2.226 347 I HA -0.229 3.946 4.170 0.008 0.000 0.245 347 I C 2.791 178.909 176.117 0.001 0.000 1.100 347 I CA 1.656 62.971 61.300 0.024 0.000 1.374 347 I CB -0.589 37.431 38.000 0.033 0.000 1.057 347 I HN 0.282 nan 8.210 nan 0.000 0.413 348 A N 0.710 123.506 122.820 -0.039 0.000 1.908 348 A HA -0.232 4.093 4.320 0.008 0.000 0.218 348 A C 2.251 179.856 177.584 0.036 0.000 1.181 348 A CA 1.584 53.560 52.037 -0.102 0.000 0.627 348 A CB -0.796 17.794 19.000 -0.684 0.000 0.818 348 A HN 0.386 nan 8.150 nan 0.000 0.445 349 L N 0.162 121.410 121.223 0.042 0.000 2.012 349 L HA -0.168 4.177 4.340 0.008 0.000 0.210 349 L C 2.479 179.218 176.870 -0.217 0.000 1.073 349 L CA 2.601 57.297 54.840 -0.240 0.000 0.748 349 L CB -0.751 41.148 42.059 -0.266 0.000 0.891 349 L HN 0.525 nan 8.230 nan 0.000 0.431 350 R N -0.632 119.788 120.500 -0.134 0.000 2.094 350 R HA -0.206 4.139 4.340 0.008 0.000 0.239 350 R C 2.051 178.308 176.300 -0.072 0.000 1.137 350 R CA 1.935 57.958 56.100 -0.128 0.000 0.943 350 R CB -0.323 29.929 30.300 -0.079 0.000 0.850 350 R HN 0.420 nan 8.270 nan 0.000 0.433 351 E N 0.692 120.875 120.200 -0.028 0.000 2.153 351 E HA -0.197 4.158 4.350 0.008 0.000 0.194 351 E C 1.986 178.608 176.600 0.037 0.000 0.988 351 E CA 0.939 57.347 56.400 0.013 0.000 0.811 351 E CB -0.322 29.398 29.700 0.032 0.000 0.746 351 E HN 0.355 nan 8.360 nan 0.000 0.466 352 L N 0.206 121.437 121.223 0.013 0.000 2.056 352 L HA -0.088 4.257 4.340 0.008 0.000 0.207 352 L C 2.320 179.279 176.870 0.148 0.000 1.078 352 L CA 1.415 56.278 54.840 0.039 0.000 0.749 352 L CB -0.304 41.659 42.059 -0.160 0.000 0.901 352 L HN 0.036 nan 8.230 nan 0.000 0.433 353 M N -0.892 118.755 119.600 0.078 0.000 2.108 353 M HA -0.249 4.236 4.480 0.008 0.000 0.261 353 M C 2.237 178.690 176.300 0.256 0.000 1.066 353 M CA 2.052 57.433 55.300 0.136 0.000 1.107 353 M CB -0.422 31.948 32.600 -0.383 0.000 1.356 353 M HN 0.279 nan 8.290 nan 0.000 0.406 354 I N -0.329 120.306 120.570 0.108 0.000 2.252 354 I HA -0.299 3.876 4.170 0.008 0.000 0.245 354 I C 2.708 178.871 176.117 0.076 0.000 1.102 354 I CA 1.345 62.694 61.300 0.082 0.000 1.385 354 I CB -0.387 37.630 38.000 0.029 0.000 1.064 354 I HN 0.420 nan 8.210 nan 0.000 0.414 355 Q N 0.626 120.490 119.800 0.106 0.000 2.119 355 Q HA -0.260 4.085 4.340 0.008 0.000 0.201 355 Q C 2.283 178.349 176.000 0.110 0.000 0.972 355 Q CA 1.740 57.595 55.803 0.087 0.000 0.847 355 Q CB -0.213 28.586 28.738 0.102 0.000 0.903 355 Q HN 0.458 nan 8.270 nan 0.000 0.433 356 F N 1.546 121.555 119.950 0.098 0.000 2.146 356 F HA -0.127 4.404 4.527 0.006 0.000 0.298 356 F C 2.316 178.105 175.800 -0.018 0.000 1.096 356 F CA 1.860 59.947 58.000 0.145 0.000 1.275 356 F CB -0.067 39.171 39.000 0.397 0.000 1.008 356 F HN 0.021 nan 8.300 nan 0.000 0.480 357 K N 0.139 120.509 120.400 -0.051 0.000 2.057 357 K HA -0.188 4.137 4.320 0.008 0.000 0.207 357 K C 1.978 178.264 176.600 -0.522 0.000 1.049 357 K CA 1.685 57.512 56.287 -0.767 0.000 0.931 357 K CB -0.210 31.821 32.500 -0.782 0.000 0.714 357 K HN 0.162 nan 8.250 nan 0.000 0.440 358 E N 0.702 120.743 120.200 -0.265 0.000 2.110 358 E HA -0.141 4.213 4.350 0.008 0.000 0.193 358 E C 1.400 177.889 176.600 -0.186 0.000 0.988 358 E CA 0.914 57.202 56.400 -0.188 0.000 0.804 358 E CB -0.139 29.500 29.700 -0.101 0.000 0.745 358 E HN 0.393 nan 8.360 nan 0.000 0.458 359 N N 0.253 118.824 118.700 -0.215 0.000 2.353 359 N HA 0.068 4.812 4.740 0.008 0.000 0.185 359 N C 0.415 175.765 175.510 -0.266 0.000 1.098 359 N CA 0.250 53.179 53.050 -0.203 0.000 0.872 359 N CB 0.243 38.625 38.487 -0.175 0.000 0.970 359 N HN 0.035 nan 8.380 nan 0.000 0.467 360 A N 0.000 122.615 122.820 -0.342 0.000 2.254 360 A HA 0.000 4.325 4.320 0.008 0.000 0.244 360 A CA 0.000 51.875 52.037 -0.269 0.000 0.836 360 A CB 0.000 18.904 19.000 -0.160 0.000 0.831 360 A HN 0.000 nan 8.150 nan 0.000 0.486