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 2i6e_1_G DATA FIRST_RESID 16 DATA SEQUENCE PYRAGWIHFT NVAPILDSLE LPPGVTAITG VPTQXNAALL SGEVDIANVS DATA SEQUENCE AVEFIRHADT LAALPDFSVA VLGPVYSVNL FHTCPLPELR RVALTSQSAX DATA SEQUENCE SVALLEVLLR QKGLSPVLER AEGTAESLLA AGYDGVLRIG DDALREWYGV DATA SEQUENCE VGPLTPERTX TSLPHTGRGI TVTDLAQEWF DLTGHPFTFA VWAYRKDNPP DATA SEQUENCE PAALLQAXRE ARRRGIGHLA EVSQRHAEKL GLPERVVQHY LWNFRYHLEA DATA SEQUENCE PDRLGLREFA DLAVPGHAEL TF 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 16 P HA 0.000 nan 4.420 nan 0.000 0.216 16 P C 0.000 177.335 177.300 0.059 0.000 1.155 16 P CA 0.000 63.124 63.100 0.041 0.000 0.800 16 P CB 0.000 31.703 31.700 0.005 0.000 0.726 17 Y N 2.934 123.205 120.300 -0.047 0.000 2.496 17 Y HA 0.277 4.827 4.550 -0.000 0.000 0.334 17 Y C 0.838 176.684 175.900 -0.089 0.000 1.080 17 Y CA 0.418 58.482 58.100 -0.061 0.000 1.355 17 Y CB 0.859 39.284 38.460 -0.058 0.000 1.193 17 Y HN 0.166 nan 8.280 nan 0.000 0.523 18 R N 4.148 124.437 120.500 -0.352 0.000 2.346 18 R HA 0.762 5.102 4.340 -0.000 0.000 0.311 18 R C -0.936 175.120 176.300 -0.407 0.000 0.983 18 R CA -0.795 55.124 56.100 -0.302 0.000 0.880 18 R CB 1.250 31.395 30.300 -0.259 0.000 1.100 18 R HN 0.663 nan 8.270 nan 0.000 0.453 19 A N 1.422 123.975 122.820 -0.445 0.000 2.342 19 A HA 0.711 5.031 4.320 -0.000 0.000 0.323 19 A C -0.261 176.825 177.584 -0.831 0.000 1.125 19 A CA -0.807 50.772 52.037 -0.764 0.000 0.785 19 A CB 1.752 20.046 19.000 -1.177 0.000 1.221 19 A HN 0.784 nan 8.150 nan 0.000 0.463 20 G N 1.340 109.725 108.800 -0.692 0.000 2.671 20 G HA2 0.523 4.483 3.960 -0.000 0.000 0.318 20 G HA3 0.523 4.483 3.960 -0.000 0.000 0.318 20 G C -0.618 174.161 174.900 -0.203 0.000 1.250 20 G CA -0.425 44.431 45.100 -0.407 0.000 1.028 20 G HN 0.659 nan 8.290 nan 0.000 0.501 21 W N 1.609 122.817 121.300 -0.153 0.000 2.509 21 W HA 0.689 5.349 4.660 0.000 0.000 0.351 21 W C 0.067 176.335 176.519 -0.418 0.000 1.107 21 W CA -1.180 55.991 57.345 -0.290 0.000 1.264 21 W CB 2.071 31.297 29.460 -0.389 0.000 1.312 21 W HN 0.109 nan 8.180 nan 0.000 0.608 22 I N 2.387 122.804 120.570 -0.255 0.000 2.468 22 I HA 0.069 4.239 4.170 -0.000 0.000 0.284 22 I C -0.145 175.589 176.117 -0.638 0.000 1.038 22 I CA -0.939 60.055 61.300 -0.510 0.000 1.083 22 I CB 1.122 38.699 38.000 -0.705 0.000 1.223 22 I HN 0.457 nan 8.210 nan 0.000 0.443 23 H N 6.846 125.772 119.070 -0.239 0.000 3.775 23 H HA 0.154 4.710 4.556 -0.000 0.000 0.200 23 H C -0.150 175.125 175.328 -0.087 0.000 1.655 23 H CA 0.101 56.083 56.048 -0.110 0.000 1.359 23 H CB -0.684 29.081 29.762 0.006 0.000 1.643 23 H HN 0.334 nan 8.280 nan 0.000 0.706 24 F N 0.223 120.205 119.950 0.054 0.000 2.545 24 F HA -0.099 4.428 4.527 -0.000 0.000 0.348 24 F C 2.161 177.975 175.800 0.022 0.000 1.163 24 F CA -0.045 57.976 58.000 0.035 0.000 1.331 24 F CB 0.683 39.669 39.000 -0.023 0.000 1.138 24 F HN 0.139 nan 8.300 nan 0.000 0.602 25 T N 0.712 115.409 114.554 0.238 0.000 2.635 25 T HA -0.284 4.066 4.350 -0.000 0.000 0.267 25 T C 1.645 176.365 174.700 0.033 0.000 1.040 25 T CA 1.956 64.099 62.100 0.072 0.000 1.156 25 T CB -0.481 68.486 68.868 0.166 0.000 0.863 25 T HN 0.673 nan 8.240 nan 0.000 0.430 26 N N 1.206 119.944 118.700 0.063 0.000 2.585 26 N HA -0.028 4.712 4.740 -0.000 0.000 0.188 26 N C 1.261 176.658 175.510 -0.188 0.000 1.102 26 N CA 0.342 53.226 53.050 -0.276 0.000 0.920 26 N CB -0.487 37.384 38.487 -1.027 0.000 0.963 26 N HN 0.342 nan 8.380 nan 0.000 0.447 27 V N -1.137 118.758 119.914 -0.031 0.000 3.643 27 V HA 0.389 4.509 4.120 -0.000 0.000 0.280 27 V C 1.963 178.036 176.094 -0.035 0.000 1.351 27 V CA 0.626 62.937 62.300 0.019 0.000 1.073 27 V CB -0.478 31.419 31.823 0.123 0.000 0.863 27 V HN 0.359 nan 8.190 nan 0.000 0.436 28 A N 1.474 124.265 122.820 -0.047 0.000 1.927 28 A HA -0.137 4.183 4.320 -0.000 0.000 0.220 28 A C 0.254 177.811 177.584 -0.046 0.000 1.185 28 A CA 2.387 54.407 52.037 -0.029 0.000 0.639 28 A CB -1.891 16.991 19.000 -0.198 0.000 0.820 28 A HN 0.577 nan 8.150 nan 0.000 0.451 29 P HA -0.108 nan 4.420 nan 0.000 0.221 29 P C 1.070 178.241 177.300 -0.215 0.000 1.145 29 P CA 0.993 64.005 63.100 -0.146 0.000 0.795 29 P CB -0.019 31.552 31.700 -0.215 0.000 0.775 30 I N -2.405 118.005 120.570 -0.267 0.000 2.685 30 I HA -0.044 4.126 4.170 -0.000 0.000 0.251 30 I C 2.065 178.079 176.117 -0.172 0.000 1.102 30 I CA 0.684 61.832 61.300 -0.253 0.000 1.442 30 I CB -0.337 37.472 38.000 -0.319 0.000 1.194 30 I HN -0.192 nan 8.210 nan 0.000 0.448 31 L N 0.185 121.332 121.223 -0.128 0.000 2.209 31 L HA -0.066 4.274 4.340 -0.000 0.000 0.207 31 L C 1.899 178.778 176.870 0.016 0.000 1.094 31 L CA 0.695 55.476 54.840 -0.099 0.000 0.790 31 L CB -0.639 41.364 42.059 -0.093 0.000 0.932 31 L HN 0.175 nan 8.230 nan 0.000 0.447 32 D N 0.633 121.057 120.400 0.041 0.000 2.157 32 D HA -0.215 4.425 4.640 -0.000 0.000 0.191 32 D C 2.046 178.359 176.300 0.020 0.000 1.004 32 D CA 2.021 56.051 54.000 0.051 0.000 0.854 32 D CB -0.009 40.845 40.800 0.091 0.000 0.936 32 D HN 0.329 nan 8.370 nan 0.000 0.446 33 S N -0.697 115.006 115.700 0.007 0.000 2.575 33 S HA 0.153 4.623 4.470 -0.000 0.000 0.237 33 S C 0.381 174.984 174.600 0.006 0.000 0.975 33 S CA -0.687 57.513 58.200 0.000 0.000 0.960 33 S CB -0.120 63.074 63.200 -0.011 0.000 0.822 33 S HN 0.101 nan 8.310 nan 0.000 0.472 34 L N 2.886 124.118 121.223 0.014 0.000 2.513 34 L HA 0.328 4.668 4.340 -0.000 0.000 0.272 34 L C -0.158 176.748 176.870 0.060 0.000 1.187 34 L CA 0.840 55.697 54.840 0.029 0.000 0.895 34 L CB 0.025 42.106 42.059 0.037 0.000 1.147 34 L HN 0.271 nan 8.230 nan 0.000 0.483 35 E N 5.927 126.155 120.200 0.047 0.000 2.101 35 E HA 0.274 4.624 4.350 -0.000 0.000 0.260 35 E C -0.852 175.784 176.600 0.060 0.000 0.897 35 E CA -0.512 55.917 56.400 0.049 0.000 0.744 35 E CB 0.831 30.546 29.700 0.026 0.000 1.140 35 E HN 0.592 nan 8.360 nan 0.000 0.419 36 L N 5.749 127.024 121.223 0.087 0.000 2.499 36 L HA 0.117 4.457 4.340 -0.000 0.000 0.273 36 L C -1.477 175.422 176.870 0.049 0.000 1.195 36 L CA -1.186 53.707 54.840 0.088 0.000 0.882 36 L CB -0.339 41.782 42.059 0.103 0.000 1.133 36 L HN 0.305 nan 8.230 nan 0.000 0.483 37 P HA 0.263 nan 4.420 nan 0.000 0.277 37 P C -2.633 174.676 177.300 0.015 0.000 1.276 37 P CA -1.567 61.543 63.100 0.016 0.000 0.788 37 P CB -0.314 31.386 31.700 -0.000 0.000 1.114 38 P HA 0.178 nan 4.420 nan 0.000 0.267 38 P C 0.670 177.975 177.300 0.007 0.000 1.205 38 P CA 1.116 64.220 63.100 0.007 0.000 0.765 38 P CB -0.184 31.517 31.700 0.002 0.000 0.828 39 G N 1.274 110.082 108.800 0.014 0.000 2.140 39 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.211 39 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.211 39 G C -0.330 174.596 174.900 0.044 0.000 1.013 39 G CA -0.057 45.056 45.100 0.021 0.000 0.705 39 G HN 0.792 nan 8.290 nan 0.000 0.508 40 V N -0.262 119.678 119.914 0.043 0.000 2.852 40 V HA 0.897 5.017 4.120 -0.000 0.000 0.300 40 V C -0.113 175.998 176.094 0.028 0.000 1.205 40 V CA 1.000 63.338 62.300 0.063 0.000 0.940 40 V CB 2.023 33.902 31.823 0.093 0.000 1.047 40 V HN 1.409 nan 8.190 nan 0.000 0.429 41 T N 3.260 117.807 114.554 -0.011 0.000 2.883 41 T HA 1.007 5.357 4.350 -0.000 0.000 0.284 41 T C -0.096 174.533 174.700 -0.118 0.000 1.041 41 T CA -0.442 61.634 62.100 -0.040 0.000 1.007 41 T CB 1.935 70.775 68.868 -0.046 0.000 1.220 41 T HN 2.284 nan 8.240 nan 0.000 0.552 42 A N 0.424 123.170 122.820 -0.124 0.000 2.574 42 A HA 0.830 5.150 4.320 -0.000 0.000 0.297 42 A C -0.731 176.764 177.584 -0.148 0.000 1.062 42 A CA -1.070 50.818 52.037 -0.248 0.000 0.686 42 A CB 1.023 19.857 19.000 -0.276 0.000 1.285 42 A HN 1.407 nan 8.150 nan 0.000 0.403 43 I N -2.036 118.419 120.570 -0.192 0.000 3.466 43 I HA 0.948 5.118 4.170 -0.000 0.000 0.311 43 I C -0.330 175.740 176.117 -0.079 0.000 1.155 43 I CA -0.797 60.446 61.300 -0.095 0.000 0.959 43 I CB 1.851 39.791 38.000 -0.099 0.000 1.332 43 I HN 0.630 nan 8.210 nan 0.000 0.483 44 T N -0.834 113.699 114.554 -0.034 0.000 2.696 44 T HA 0.889 5.239 4.350 -0.000 0.000 0.291 44 T C -0.616 174.061 174.700 -0.038 0.000 1.095 44 T CA -0.087 61.998 62.100 -0.025 0.000 1.026 44 T CB 1.692 70.590 68.868 0.050 0.000 1.390 44 T HN 1.480 nan 8.240 nan 0.000 0.513 45 G N -0.136 108.636 108.800 -0.047 0.000 2.333 45 G HA2 0.420 4.380 3.960 -0.000 0.000 0.288 45 G HA3 0.420 4.380 3.960 -0.000 0.000 0.288 45 G C -0.793 174.076 174.900 -0.051 0.000 1.286 45 G CA 0.006 45.082 45.100 -0.040 0.000 0.865 45 G HN 1.436 nan 8.290 nan 0.000 0.506 46 V N -1.215 118.682 119.914 -0.028 0.000 2.953 46 V HA 0.599 4.719 4.120 -0.000 0.000 0.304 46 V C -0.892 175.201 176.094 -0.001 0.000 1.073 46 V CA -0.819 61.475 62.300 -0.011 0.000 1.064 46 V CB 1.163 32.993 31.823 0.011 0.000 1.047 46 V HN 0.526 nan 8.190 nan 0.000 0.478 47 P HA -0.143 nan 4.420 nan 0.000 0.216 47 P C 1.761 179.081 177.300 0.033 0.000 1.157 47 P CA 2.335 65.472 63.100 0.062 0.000 0.880 47 P CB -0.135 31.643 31.700 0.131 0.000 0.791 48 T N -1.011 113.562 114.554 0.032 0.000 2.635 48 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 48 T C 1.151 175.850 174.700 -0.001 0.000 1.040 48 T CA 1.198 63.309 62.100 0.019 0.000 1.156 48 T CB -0.664 68.216 68.868 0.021 0.000 0.863 48 T HN 0.180 nan 8.240 nan 0.000 0.430 52 A N 1.357 124.139 122.820 -0.064 0.000 1.898 52 A HA 0.241 4.561 4.320 -0.000 0.000 0.216 52 A C 2.223 179.766 177.584 -0.068 0.000 1.181 52 A CA 2.441 54.439 52.037 -0.065 0.000 0.620 52 A CB -0.809 18.167 19.000 -0.040 0.000 0.819 52 A HN 0.343 nan 8.150 nan 0.000 0.442 53 A N -0.536 122.244 122.820 -0.066 0.000 1.940 53 A HA -0.061 4.259 4.320 -0.000 0.000 0.219 53 A C 2.143 179.676 177.584 -0.085 0.000 1.176 53 A CA 1.810 53.803 52.037 -0.074 0.000 0.631 53 A CB -0.570 18.381 19.000 -0.082 0.000 0.814 53 A HN 0.709 nan 8.150 nan 0.000 0.446 54 L N -0.443 120.728 121.223 -0.086 0.000 2.044 54 L HA -0.020 4.320 4.340 -0.000 0.000 0.205 54 L C 2.238 179.063 176.870 -0.075 0.000 1.075 54 L CA 1.645 56.437 54.840 -0.081 0.000 0.747 54 L CB -0.464 41.556 42.059 -0.066 0.000 0.903 54 L HN 0.373 nan 8.230 nan 0.000 0.435 55 L N -0.536 120.628 121.223 -0.098 0.000 2.141 55 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 55 L C 2.561 179.394 176.870 -0.062 0.000 1.094 55 L CA 1.325 56.103 54.840 -0.103 0.000 0.763 55 L CB -0.668 41.283 42.059 -0.180 0.000 0.908 55 L HN 0.535 nan 8.230 nan 0.000 0.437 56 S N -1.129 114.535 115.700 -0.060 0.000 2.470 56 S HA 0.115 4.585 4.470 -0.000 0.000 0.225 56 S C 1.535 176.109 174.600 -0.043 0.000 1.006 56 S CA 0.551 58.725 58.200 -0.044 0.000 0.934 56 S CB 0.566 63.741 63.200 -0.042 0.000 0.778 56 S HN 0.501 nan 8.310 nan 0.000 0.517 57 G N 0.662 109.428 108.800 -0.056 0.000 2.168 57 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.197 57 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.197 57 G C 0.607 175.458 174.900 -0.081 0.000 0.997 57 G CA 0.254 45.317 45.100 -0.062 0.000 0.658 57 G HN 0.374 nan 8.290 nan 0.000 0.513 58 E N -0.529 119.620 120.200 -0.085 0.000 2.158 58 E HA 0.184 4.534 4.350 -0.000 0.000 0.191 58 E C 1.023 177.544 176.600 -0.131 0.000 0.982 58 E CA 0.967 57.311 56.400 -0.093 0.000 0.823 58 E CB 0.451 30.104 29.700 -0.079 0.000 0.766 58 E HN 0.435 nan 8.360 nan 0.000 0.468 59 V N 1.576 121.399 119.914 -0.151 0.000 2.823 59 V HA 0.129 4.249 4.120 -0.000 0.000 0.312 59 V C 0.168 176.120 176.094 -0.237 0.000 1.072 59 V CA -0.584 61.590 62.300 -0.210 0.000 0.937 59 V CB 2.300 34.006 31.823 -0.196 0.000 1.013 59 V HN -0.059 nan 8.190 nan 0.000 0.430 60 D N 2.071 122.242 120.400 -0.382 0.000 2.392 60 D HA 0.310 4.950 4.640 -0.000 0.000 0.206 60 D C 0.115 176.286 176.300 -0.216 0.000 1.046 60 D CA 0.792 54.523 54.000 -0.448 0.000 0.865 60 D CB 1.858 41.988 40.800 -1.117 0.000 0.969 60 D HN 0.376 nan 8.370 nan 0.000 0.509 61 I N -0.102 120.368 120.570 -0.167 0.000 2.787 61 I HA 0.514 4.684 4.170 -0.000 0.000 0.294 61 I C -2.103 174.022 176.117 0.013 0.000 1.365 61 I CA -0.590 60.761 61.300 0.084 0.000 1.029 61 I CB 1.993 40.174 38.000 0.301 0.000 1.313 61 I HN -0.113 nan 8.210 nan 0.000 0.431 62 A N 4.804 127.714 122.820 0.149 0.000 2.612 62 A HA 0.535 4.855 4.320 -0.000 0.000 0.293 62 A C -1.777 175.785 177.584 -0.038 0.000 1.075 62 A CA -0.801 51.306 52.037 0.118 0.000 0.680 62 A CB 1.510 20.499 19.000 -0.018 0.000 1.279 62 A HN 0.705 nan 8.150 nan 0.000 0.411 63 N N 0.756 119.317 118.700 -0.232 0.000 2.414 63 N HA 0.462 5.202 4.740 -0.000 0.000 0.256 63 N C -0.273 175.065 175.510 -0.286 0.000 1.029 63 N CA 0.104 52.703 53.050 -0.751 0.000 0.948 63 N CB 1.475 39.253 38.487 -1.182 0.000 1.102 63 N HN 1.314 nan 8.380 nan 0.000 0.496 64 V N -0.497 119.289 119.914 -0.213 0.000 3.102 64 V HA 0.697 4.817 4.120 -0.000 0.000 0.312 64 V C 0.365 176.452 176.094 -0.012 0.000 1.135 64 V CA -1.088 61.184 62.300 -0.045 0.000 1.022 64 V CB 1.169 32.998 31.823 0.011 0.000 1.056 64 V HN 0.786 nan 8.190 nan 0.000 0.436 65 S N 1.742 117.472 115.700 0.050 0.000 2.584 65 S HA 0.525 4.995 4.470 -0.000 0.000 0.270 65 S C 1.395 176.074 174.600 0.130 0.000 1.346 65 S CA 0.179 58.424 58.200 0.076 0.000 1.018 65 S CB 1.096 64.352 63.200 0.093 0.000 0.899 65 S HN 2.071 nan 8.310 nan 0.000 0.542 66 A N 2.176 125.068 122.820 0.119 0.000 1.940 66 A HA -0.008 4.312 4.320 -0.000 0.000 0.219 66 A C 2.206 179.926 177.584 0.227 0.000 1.176 66 A CA 1.601 53.734 52.037 0.159 0.000 0.631 66 A CB -1.227 17.756 19.000 -0.028 0.000 0.814 66 A HN 0.832 nan 8.150 nan 0.000 0.446 67 V N 0.037 120.089 119.914 0.229 0.000 2.343 67 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 67 V C 2.657 178.850 176.094 0.166 0.000 1.051 67 V CA 2.529 64.965 62.300 0.227 0.000 1.036 67 V CB -0.491 31.477 31.823 0.241 0.000 0.654 67 V HN 0.762 nan 8.190 nan 0.000 0.451 68 E N 0.019 120.332 120.200 0.188 0.000 2.077 68 E HA -0.253 4.097 4.350 -0.000 0.000 0.193 68 E C 1.893 178.668 176.600 0.292 0.000 0.989 68 E CA 1.741 58.272 56.400 0.219 0.000 0.800 68 E CB -0.476 29.318 29.700 0.156 0.000 0.746 68 E HN 0.549 nan 8.360 nan 0.000 0.452 69 F N 0.578 120.585 119.950 0.094 0.000 2.128 69 F HA 0.004 4.531 4.527 -0.000 0.000 0.295 69 F C 1.937 177.765 175.800 0.046 0.000 1.100 69 F CA 1.349 59.389 58.000 0.066 0.000 1.260 69 F CB -0.556 38.467 39.000 0.039 0.000 1.009 69 F HN 0.044 nan 8.300 nan 0.000 0.476 70 I N 0.733 121.151 120.570 -0.253 0.000 2.118 70 I HA -0.346 3.824 4.170 -0.000 0.000 0.241 70 I C 2.388 178.316 176.117 -0.316 0.000 1.070 70 I CA 1.686 62.730 61.300 -0.426 0.000 1.327 70 I CB -0.578 37.255 38.000 -0.279 0.000 1.034 70 I HN 0.060 nan 8.210 nan 0.000 0.405 71 R N -0.220 120.164 120.500 -0.195 0.000 2.377 71 R HA -0.117 4.223 4.340 -0.000 0.000 0.207 71 R C 0.361 176.293 176.300 -0.612 0.000 1.075 71 R CA 0.849 56.760 56.100 -0.315 0.000 1.035 71 R CB -0.318 29.822 30.300 -0.266 0.000 0.857 71 R HN 0.560 nan 8.270 nan 0.000 0.475 72 H N -2.124 116.861 119.070 -0.141 0.000 2.777 72 H HA 0.264 4.820 4.556 -0.000 0.000 0.244 72 H C 0.843 176.064 175.328 -0.179 0.000 1.185 72 H CA 0.077 56.060 56.048 -0.109 0.000 0.945 72 H CB 0.972 30.713 29.762 -0.035 0.000 1.994 72 H HN 0.108 nan 8.280 nan 0.000 0.638 73 A N 0.749 123.402 122.820 -0.279 0.000 2.125 73 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 73 A C 1.890 179.375 177.584 -0.165 0.000 1.156 73 A CA 1.758 53.562 52.037 -0.387 0.000 0.671 73 A CB -0.125 18.590 19.000 -0.475 0.000 0.794 73 A HN 0.608 nan 8.150 nan 0.000 0.459 74 D N -1.626 118.715 120.400 -0.099 0.000 2.162 74 D HA -0.111 4.529 4.640 -0.000 0.000 0.203 74 D C 1.740 178.030 176.300 -0.018 0.000 0.967 74 D CA 1.684 55.651 54.000 -0.055 0.000 0.840 74 D CB -0.683 40.088 40.800 -0.049 0.000 0.972 74 D HN 0.362 nan 8.370 nan 0.000 0.482 75 T N -0.689 113.874 114.554 0.015 0.000 3.023 75 T HA 0.192 4.542 4.350 -0.000 0.000 0.249 75 T C 0.868 175.583 174.700 0.025 0.000 1.050 75 T CA -0.161 61.958 62.100 0.032 0.000 1.088 75 T CB -0.016 68.888 68.868 0.060 0.000 0.946 75 T HN -0.007 nan 8.240 nan 0.000 0.480 76 L N 1.469 122.717 121.223 0.042 0.000 2.322 76 L HA 0.850 5.189 4.340 -0.000 0.000 0.269 76 L C -0.187 176.712 176.870 0.048 0.000 1.012 76 L CA -1.324 53.540 54.840 0.040 0.000 0.815 76 L CB 1.851 44.006 42.059 0.160 0.000 1.295 76 L HN 0.109 nan 8.230 nan 0.000 0.438 77 A N 1.025 123.706 122.820 -0.231 0.000 2.430 77 A HA 0.948 5.268 4.320 -0.000 0.000 0.300 77 A C -1.082 176.174 177.584 -0.546 0.000 1.124 77 A CA -0.512 51.322 52.037 -0.338 0.000 0.766 77 A CB 1.841 20.496 19.000 -0.574 0.000 1.328 77 A HN 0.752 nan 8.150 nan 0.000 0.424 78 A N 0.640 123.243 122.820 -0.360 0.000 2.365 78 A HA 0.684 5.004 4.320 -0.000 0.000 0.318 78 A C -0.327 177.420 177.584 0.271 0.000 1.091 78 A CA -0.589 51.325 52.037 -0.205 0.000 0.763 78 A CB 0.524 19.195 19.000 -0.549 0.000 1.248 78 A HN 0.883 nan 8.150 nan 0.000 0.442 79 L N 2.903 124.346 121.223 0.367 0.000 2.543 79 L HA 0.088 4.428 4.340 -0.000 0.000 0.285 79 L C -0.905 176.160 176.870 0.325 0.000 1.236 79 L CA -0.868 54.195 54.840 0.371 0.000 0.871 79 L CB 0.648 42.868 42.059 0.268 0.000 1.121 79 L HN 0.645 nan 8.230 nan 0.000 0.501 80 P HA -0.087 nan 4.420 nan 0.000 0.231 80 P C 0.196 177.514 177.300 0.030 0.000 1.168 80 P CA 0.906 64.077 63.100 0.118 0.000 0.779 80 P CB 0.205 31.982 31.700 0.128 0.000 0.844 81 D N -1.442 119.028 120.400 0.116 0.000 2.623 81 D HA 0.136 4.776 4.640 -0.000 0.000 0.252 81 D C -0.616 175.529 176.300 -0.258 0.000 1.294 81 D CA -0.566 53.413 54.000 -0.035 0.000 0.824 81 D CB -0.613 40.150 40.800 -0.061 0.000 1.070 81 D HN 0.060 nan 8.370 nan 0.000 0.487 82 F N 1.071 120.966 119.950 -0.092 0.000 2.565 82 F HA 0.529 5.056 4.527 -0.000 0.000 0.313 82 F C 0.277 176.144 175.800 0.112 0.000 1.091 82 F CA -0.382 57.543 58.000 -0.126 0.000 0.915 82 F CB 2.384 41.182 39.000 -0.337 0.000 1.208 82 F HN 0.021 nan 8.300 nan 0.000 0.453 83 S N 0.741 116.644 115.700 0.338 0.000 2.636 83 S HA 0.771 5.241 4.470 -0.000 0.000 0.266 83 S C -2.128 172.696 174.600 0.374 0.000 1.147 83 S CA -0.903 57.501 58.200 0.341 0.000 0.815 83 S CB 1.729 65.013 63.200 0.140 0.000 1.119 83 S HN 0.383 nan 8.310 nan 0.000 0.470 84 V N 1.076 121.136 119.914 0.244 0.000 2.439 84 V HA 0.824 4.944 4.120 -0.000 0.000 0.277 84 V C 0.183 176.416 176.094 0.233 0.000 1.008 84 V CA 0.392 62.794 62.300 0.171 0.000 0.846 84 V CB 0.282 32.150 31.823 0.075 0.000 1.031 84 V HN 1.362 nan 8.190 nan 0.000 0.441 85 A N 4.225 127.163 122.820 0.196 0.000 2.483 85 A HA 1.068 5.388 4.320 -0.000 0.000 0.286 85 A C -0.769 176.901 177.584 0.143 0.000 1.207 85 A CA -0.482 51.665 52.037 0.183 0.000 0.764 85 A CB 2.536 21.555 19.000 0.032 0.000 1.341 85 A HN 1.569 nan 8.150 nan 0.000 0.428 86 V N -2.660 117.308 119.914 0.089 0.000 3.204 86 V HA 0.762 4.882 4.120 -0.000 0.000 0.298 86 V C -1.680 174.417 176.094 0.005 0.000 1.328 86 V CA -0.751 61.513 62.300 -0.059 0.000 1.035 86 V CB 1.545 33.261 31.823 -0.179 0.000 1.095 86 V HN 1.354 nan 8.190 nan 0.000 0.442 87 L N 3.389 124.571 121.223 -0.068 0.000 2.295 87 L HA 0.964 5.304 4.340 -0.000 0.000 0.281 87 L C 0.507 177.292 176.870 -0.142 0.000 1.018 87 L CA 1.633 56.455 54.840 -0.030 0.000 0.841 87 L CB 0.312 42.334 42.059 -0.061 0.000 1.218 87 L HN 1.934 nan 8.230 nan 0.000 0.424 88 G N 4.998 113.743 108.800 -0.091 0.000 2.601 88 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.224 88 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.224 88 G C -2.855 171.949 174.900 -0.160 0.000 1.171 88 G CA -0.288 44.692 45.100 -0.200 0.000 1.009 88 G HN 0.613 nan 8.290 nan 0.000 0.589 89 P HA 0.419 nan 4.420 nan 0.000 0.272 89 P C 0.419 177.371 177.300 -0.580 0.000 1.223 89 P CA 0.680 63.454 63.100 -0.544 0.000 0.784 89 P CB 1.947 33.109 31.700 -0.897 0.000 0.923 90 V N 2.661 122.243 119.914 -0.553 0.000 3.539 90 V HA 0.015 4.135 4.120 -0.000 0.000 0.262 90 V C 0.638 176.646 176.094 -0.143 0.000 1.381 90 V CA 0.425 62.509 62.300 -0.360 0.000 1.060 90 V CB -1.052 30.634 31.823 -0.227 0.000 0.842 90 V HN 0.536 nan 8.190 nan 0.000 0.445 91 Y N 0.624 120.746 120.300 -0.297 0.000 4.535 91 Y HA -0.298 4.252 4.550 -0.000 0.000 0.301 91 Y C 1.616 177.335 175.900 -0.301 0.000 1.046 91 Y CA 1.285 59.092 58.100 -0.489 0.000 1.970 91 Y CB -2.192 35.917 38.460 -0.584 0.000 1.093 91 Y HN 0.548 nan 8.280 nan 0.000 0.460 92 S N -1.513 114.193 115.700 0.009 0.000 2.664 92 S HA 0.579 5.049 4.470 -0.000 0.000 0.245 92 S C -0.242 174.309 174.600 -0.082 0.000 1.019 92 S CA 0.198 58.402 58.200 0.007 0.000 0.996 92 S CB 0.707 63.979 63.200 0.119 0.000 0.878 92 S HN 0.098 nan 8.310 nan 0.000 0.493 93 V N 2.461 122.289 119.914 -0.143 0.000 2.558 93 V HA 0.418 4.538 4.120 -0.000 0.000 0.261 93 V C -1.120 174.907 176.094 -0.112 0.000 0.958 93 V CA -0.673 61.544 62.300 -0.138 0.000 0.852 93 V CB 0.447 32.140 31.823 -0.216 0.000 1.067 93 V HN 0.474 nan 8.190 nan 0.000 0.468 94 N N 3.101 121.762 118.700 -0.066 0.000 2.314 94 N HA 0.714 5.454 4.740 -0.000 0.000 0.304 94 N C -1.194 174.255 175.510 -0.102 0.000 1.073 94 N CA -0.813 52.136 53.050 -0.168 0.000 0.822 94 N CB 2.766 41.032 38.487 -0.369 0.000 1.280 94 N HN 0.399 nan 8.380 nan 0.000 0.489 95 L N 2.847 123.990 121.223 -0.134 0.000 2.277 95 L HA 0.519 4.859 4.340 -0.000 0.000 0.284 95 L C -1.657 175.262 176.870 0.082 0.000 1.028 95 L CA -0.448 54.402 54.840 0.017 0.000 0.835 95 L CB -0.351 41.692 42.059 -0.025 0.000 1.215 95 L HN 0.445 nan 8.230 nan 0.000 0.425 96 F N 5.666 125.728 119.950 0.188 0.000 2.420 96 F HA 0.487 5.014 4.527 -0.000 0.000 0.352 96 F C 0.623 176.590 175.800 0.278 0.000 1.108 96 F CA -0.110 58.018 58.000 0.212 0.000 1.162 96 F CB 0.543 39.617 39.000 0.123 0.000 1.118 96 F HN 0.586 nan 8.300 nan 0.000 0.510 97 H N -0.669 118.521 119.070 0.201 0.000 2.980 97 H HA 0.367 4.923 4.556 -0.000 0.000 0.367 97 H C -0.293 175.108 175.328 0.122 0.000 1.206 97 H CA -1.016 55.119 56.048 0.144 0.000 1.126 97 H CB 1.183 31.004 29.762 0.097 0.000 1.838 97 H HN 0.497 nan 8.280 nan 0.000 0.552 98 T N -1.920 112.726 114.554 0.154 0.000 3.044 98 T HA 0.274 4.624 4.350 -0.000 0.000 0.260 98 T C 0.777 175.524 174.700 0.077 0.000 1.019 98 T CA 0.379 62.520 62.100 0.068 0.000 0.921 98 T CB -1.047 67.868 68.868 0.078 0.000 1.053 98 T HN 0.808 nan 8.240 nan 0.000 0.533 99 C N -0.344 119.047 119.300 0.150 0.000 2.971 99 C HA 0.854 5.314 4.460 -0.000 0.000 0.310 99 C C -3.058 172.071 174.990 0.230 0.000 1.285 99 C CA -2.872 56.229 59.018 0.140 0.000 1.593 99 C CB 1.174 28.982 27.740 0.113 0.000 2.076 99 C HN 0.024 nan 8.230 nan 0.000 0.472 100 P HA 0.145 nan 4.420 nan 0.000 0.267 100 P C 1.058 178.436 177.300 0.131 0.000 1.200 100 P CA 0.037 63.237 63.100 0.168 0.000 0.772 100 P CB 0.422 32.177 31.700 0.092 0.000 0.855 101 L N 4.065 125.330 121.223 0.070 0.000 2.021 101 L HA -0.208 4.131 4.340 -0.000 0.000 0.215 101 L C -0.574 176.281 176.870 -0.024 0.000 1.074 101 L CA 2.342 57.138 54.840 -0.074 0.000 0.760 101 L CB -1.930 40.061 42.059 -0.113 0.000 0.889 101 L HN 0.479 nan 8.230 nan 0.000 0.433 102 P HA -0.169 nan 4.420 nan 0.000 0.218 102 P C 0.942 178.253 177.300 0.018 0.000 1.148 102 P CA 1.261 64.367 63.100 0.009 0.000 0.822 102 P CB 0.021 31.729 31.700 0.014 0.000 0.784 103 E N -1.309 118.910 120.200 0.031 0.000 2.489 103 E HA 0.021 4.371 4.350 -0.000 0.000 0.193 103 E C 0.040 176.665 176.600 0.042 0.000 1.057 103 E CA -0.344 56.078 56.400 0.037 0.000 0.866 103 E CB -0.256 29.472 29.700 0.047 0.000 0.916 103 E HN 0.107 nan 8.360 nan 0.000 0.500 104 L N 1.468 122.712 121.223 0.035 0.000 2.534 104 L HA -0.038 4.302 4.340 -0.000 0.000 0.271 104 L C 1.149 178.045 176.870 0.043 0.000 1.178 104 L CA 0.946 55.810 54.840 0.041 0.000 0.907 104 L CB 0.309 42.373 42.059 0.008 0.000 1.164 104 L HN -0.012 nan 8.230 nan 0.000 0.482 105 R N 3.612 124.145 120.500 0.056 0.000 2.142 105 R HA 0.238 4.578 4.340 -0.000 0.000 0.204 105 R C -0.266 176.075 176.300 0.067 0.000 1.059 105 R CA 0.242 56.372 56.100 0.050 0.000 1.055 105 R CB 0.342 30.665 30.300 0.039 0.000 0.976 105 R HN 0.568 nan 8.270 nan 0.000 0.483 106 R N 0.519 121.082 120.500 0.104 0.000 2.522 106 R HA 0.446 4.786 4.340 -0.000 0.000 0.283 106 R C -1.416 175.033 176.300 0.249 0.000 1.074 106 R CA -0.610 55.588 56.100 0.163 0.000 0.925 106 R CB 1.872 32.265 30.300 0.155 0.000 1.205 106 R HN -0.204 nan 8.270 nan 0.000 0.436 107 V N 1.813 121.836 119.914 0.180 0.000 2.513 107 V HA 0.654 4.774 4.120 -0.000 0.000 0.299 107 V C 0.133 176.208 176.094 -0.032 0.000 1.035 107 V CA -0.827 61.532 62.300 0.098 0.000 0.889 107 V CB 1.712 33.564 31.823 0.048 0.000 0.988 107 V HN 0.946 nan 8.190 nan 0.000 0.440 108 A N 5.679 128.317 122.820 -0.303 0.000 2.301 108 A HA 0.789 5.109 4.320 -0.000 0.000 0.298 108 A C -0.567 176.876 177.584 -0.235 0.000 1.185 108 A CA -0.440 51.265 52.037 -0.553 0.000 0.830 108 A CB 0.314 18.563 19.000 -1.251 0.000 1.112 108 A HN 0.823 nan 8.150 nan 0.000 0.508 109 L N 3.229 124.362 121.223 -0.149 0.000 2.264 109 L HA 0.240 4.580 4.340 -0.000 0.000 0.287 109 L C 1.585 178.418 176.870 -0.062 0.000 1.039 109 L CA -0.353 54.449 54.840 -0.064 0.000 0.829 109 L CB 1.241 43.287 42.059 -0.022 0.000 1.211 109 L HN 0.987 nan 8.230 nan 0.000 0.427 110 T N 0.565 115.090 114.554 -0.049 0.000 2.812 110 T HA -0.078 4.272 4.350 -0.000 0.000 0.264 110 T C 0.934 175.632 174.700 -0.004 0.000 1.042 110 T CA 1.117 63.197 62.100 -0.034 0.000 1.140 110 T CB 0.267 69.120 68.868 -0.025 0.000 0.870 110 T HN 0.471 nan 8.240 nan 0.000 0.445 111 S N 0.750 116.457 115.700 0.011 0.000 2.648 111 S HA 0.481 4.951 4.470 -0.000 0.000 0.305 111 S C -1.016 173.601 174.600 0.029 0.000 1.094 111 S CA -0.945 57.271 58.200 0.026 0.000 0.983 111 S CB 1.412 64.635 63.200 0.039 0.000 1.101 111 S HN 0.508 nan 8.310 nan 0.000 0.514 112 Q N 2.045 121.867 119.800 0.037 0.000 2.369 112 Q HA 0.363 4.703 4.340 -0.000 0.000 0.247 112 Q C -0.858 175.171 176.000 0.049 0.000 1.083 112 Q CA -0.078 55.749 55.803 0.040 0.000 0.905 112 Q CB 0.370 29.132 28.738 0.041 0.000 1.305 112 Q HN 0.327 nan 8.270 nan 0.000 0.465 113 S N 2.053 117.781 115.700 0.047 0.000 2.673 113 S HA 0.614 5.084 4.470 -0.000 0.000 0.256 113 S C -0.499 174.137 174.600 0.060 0.000 1.141 113 S CA -0.032 58.199 58.200 0.052 0.000 1.109 113 S CB 0.514 63.738 63.200 0.039 0.000 1.101 113 S HN 0.812 nan 8.310 nan 0.000 0.471 117 V N 3.554 123.502 119.914 0.056 0.000 2.295 117 V HA 0.013 4.133 4.120 -0.000 0.000 0.246 117 V C 3.226 179.372 176.094 0.087 0.000 1.049 117 V CA 2.286 64.621 62.300 0.059 0.000 1.024 117 V CB -1.451 30.406 31.823 0.056 0.000 0.648 117 V HN 0.761 nan 8.190 nan 0.000 0.447 118 A N 0.084 122.985 122.820 0.136 0.000 1.883 118 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 118 A C 2.186 179.936 177.584 0.278 0.000 1.186 118 A CA 2.274 54.441 52.037 0.217 0.000 0.624 118 A CB -0.626 18.590 19.000 0.360 0.000 0.822 118 A HN 0.463 nan 8.150 nan 0.000 0.444 119 L N -0.843 120.495 121.223 0.193 0.000 2.056 119 L HA -0.068 4.271 4.340 -0.000 0.000 0.207 119 L C 2.206 179.104 176.870 0.046 0.000 1.078 119 L CA 2.029 56.899 54.840 0.050 0.000 0.749 119 L CB -0.701 41.132 42.059 -0.377 0.000 0.901 119 L HN 0.340 nan 8.230 nan 0.000 0.433 120 L N -0.229 121.010 121.223 0.027 0.000 2.046 120 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 120 L C 2.470 179.368 176.870 0.048 0.000 1.077 120 L CA 2.042 56.896 54.840 0.022 0.000 0.747 120 L CB -0.823 41.244 42.059 0.014 0.000 0.896 120 L HN 0.432 nan 8.230 nan 0.000 0.432 121 E N -0.839 119.401 120.200 0.066 0.000 2.077 121 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 121 E C 2.092 178.739 176.600 0.078 0.000 0.989 121 E CA 1.606 58.043 56.400 0.062 0.000 0.800 121 E CB -0.336 29.400 29.700 0.060 0.000 0.746 121 E HN 0.353 nan 8.360 nan 0.000 0.452 122 V N 0.518 120.506 119.914 0.123 0.000 2.343 122 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 122 V C 2.363 178.544 176.094 0.146 0.000 1.051 122 V CA 1.648 64.042 62.300 0.155 0.000 1.036 122 V CB -0.429 31.562 31.823 0.281 0.000 0.654 122 V HN 0.309 nan 8.190 nan 0.000 0.451 123 L N -0.952 120.352 121.223 0.134 0.000 2.093 123 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 123 L C 2.348 179.248 176.870 0.050 0.000 1.085 123 L CA 1.318 56.216 54.840 0.097 0.000 0.755 123 L CB -0.484 41.618 42.059 0.072 0.000 0.904 123 L HN 0.293 nan 8.230 nan 0.000 0.435 124 L N -0.822 120.424 121.223 0.039 0.000 2.056 124 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 124 L C 2.892 179.776 176.870 0.024 0.000 1.078 124 L CA 1.013 55.865 54.840 0.021 0.000 0.749 124 L CB -0.556 41.514 42.059 0.018 0.000 0.901 124 L HN 0.198 nan 8.230 nan 0.000 0.433 125 R N -0.141 120.379 120.500 0.033 0.000 2.105 125 R HA -0.172 4.168 4.340 -0.000 0.000 0.239 125 R C 2.288 178.602 176.300 0.023 0.000 1.135 125 R CA 1.124 57.240 56.100 0.027 0.000 0.967 125 R CB -0.413 29.906 30.300 0.032 0.000 0.861 125 R HN 0.467 nan 8.270 nan 0.000 0.442 126 Q N 0.979 120.797 119.800 0.030 0.000 2.050 126 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 126 Q C 1.700 177.703 176.000 0.004 0.000 0.980 126 Q CA 1.506 57.319 55.803 0.017 0.000 0.840 126 Q CB -0.120 28.630 28.738 0.021 0.000 0.898 126 Q HN 0.367 nan 8.270 nan 0.000 0.424 127 K N -0.498 119.905 120.400 0.005 0.000 2.525 127 K HA 0.082 4.402 4.320 -0.000 0.000 0.192 127 K C 0.898 177.498 176.600 -0.000 0.000 1.029 127 K CA 0.491 56.777 56.287 -0.002 0.000 1.029 127 K CB 0.099 32.596 32.500 -0.005 0.000 0.814 127 K HN 0.370 nan 8.250 nan 0.000 0.503 128 G N 1.636 110.438 108.800 0.004 0.000 2.153 128 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.252 128 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.252 128 G C 0.036 174.939 174.900 0.006 0.000 0.994 128 G CA 0.027 45.130 45.100 0.004 0.000 0.698 128 G HN 0.182 nan 8.290 nan 0.000 0.521 129 L N 0.247 121.474 121.223 0.006 0.000 2.399 129 L HA 0.672 5.012 4.340 -0.000 0.000 0.265 129 L C 0.987 177.864 176.870 0.011 0.000 1.089 129 L CA 0.099 54.943 54.840 0.007 0.000 0.802 129 L CB 1.779 43.838 42.059 0.001 0.000 1.180 129 L HN 0.471 nan 8.230 nan 0.000 0.454 130 S N -0.612 115.096 115.700 0.013 0.000 2.607 130 S HA 0.276 4.746 4.470 -0.000 0.000 0.196 130 S C -2.137 172.477 174.600 0.022 0.000 0.911 130 S CA -0.918 57.292 58.200 0.017 0.000 1.133 130 S CB -0.265 62.944 63.200 0.016 0.000 1.612 130 S HN 0.461 nan 8.310 nan 0.000 0.437 131 P HA 0.345 nan 4.420 nan 0.000 0.272 131 P C -0.136 177.190 177.300 0.043 0.000 1.230 131 P CA -0.306 62.816 63.100 0.035 0.000 0.788 131 P CB 0.797 32.519 31.700 0.037 0.000 0.949 132 V N 2.277 122.224 119.914 0.055 0.000 2.572 132 V HA -0.005 4.115 4.120 -0.000 0.000 0.291 132 V C 0.633 176.775 176.094 0.080 0.000 1.039 132 V CA -0.002 62.336 62.300 0.063 0.000 1.055 132 V CB 0.285 32.148 31.823 0.067 0.000 0.969 132 V HN 0.347 nan 8.190 nan 0.000 0.482 133 L N 6.103 127.365 121.223 0.065 0.000 2.272 133 L HA 0.538 4.878 4.340 -0.000 0.000 0.289 133 L C 0.073 176.983 176.870 0.067 0.000 1.032 133 L CA 0.250 55.126 54.840 0.059 0.000 0.810 133 L CB 1.277 43.360 42.059 0.040 0.000 1.205 133 L HN 0.705 nan 8.230 nan 0.000 0.422 134 E N 3.230 123.473 120.200 0.073 0.000 2.314 134 E HA 0.494 4.844 4.350 -0.000 0.000 0.272 134 E C -0.789 175.826 176.600 0.024 0.000 0.884 134 E CA -1.115 55.335 56.400 0.083 0.000 0.753 134 E CB 2.028 31.839 29.700 0.184 0.000 1.213 134 E HN 0.241 nan 8.360 nan 0.000 0.432 135 R N 1.078 121.597 120.500 0.032 0.000 2.594 135 R HA 0.691 5.031 4.340 -0.000 0.000 0.272 135 R C -0.529 175.780 176.300 0.016 0.000 1.074 135 R CA -0.052 56.053 56.100 0.009 0.000 1.105 135 R CB 1.120 31.434 30.300 0.024 0.000 1.008 135 R HN 0.662 nan 8.270 nan 0.000 0.472 136 A N 1.675 124.483 122.820 -0.020 0.000 2.586 136 A HA 0.489 4.809 4.320 -0.000 0.000 0.291 136 A C -1.484 176.090 177.584 -0.016 0.000 1.062 136 A CA -0.628 51.410 52.037 0.001 0.000 0.666 136 A CB 1.692 20.667 19.000 -0.042 0.000 1.281 136 A HN 0.476 nan 8.150 nan 0.000 0.421 137 E N -0.737 119.470 120.200 0.011 0.000 2.256 137 E HA 0.767 5.117 4.350 -0.000 0.000 0.267 137 E C 0.174 176.776 176.600 0.004 0.000 0.892 137 E CA 0.672 57.074 56.400 0.004 0.000 0.775 137 E CB 1.919 31.629 29.700 0.016 0.000 1.207 137 E HN 2.120 nan 8.360 nan 0.000 0.420 138 G N 0.817 109.612 108.800 -0.008 0.000 2.293 138 G HA2 0.150 4.110 3.960 -0.000 0.000 0.282 138 G HA3 0.150 4.110 3.960 -0.000 0.000 0.282 138 G C -0.655 174.223 174.900 -0.037 0.000 1.299 138 G CA -0.268 44.825 45.100 -0.012 0.000 1.018 138 G HN 0.836 nan 8.290 nan 0.000 0.478 139 T N -1.874 112.650 114.554 -0.050 0.000 2.944 139 T HA 0.748 5.098 4.350 -0.000 0.000 0.284 139 T C 1.769 176.385 174.700 -0.141 0.000 1.010 139 T CA 0.701 62.742 62.100 -0.098 0.000 1.025 139 T CB 1.593 70.405 68.868 -0.093 0.000 1.079 139 T HN 2.179 nan 8.240 nan 0.000 0.516 140 A N 0.782 123.437 122.820 -0.274 0.000 1.917 140 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 140 A C 2.177 179.654 177.584 -0.178 0.000 1.182 140 A CA 1.996 53.831 52.037 -0.337 0.000 0.633 140 A CB -1.095 17.328 19.000 -0.962 0.000 0.819 140 A HN 0.980 nan 8.150 nan 0.000 0.448 141 E N -0.184 119.914 120.200 -0.169 0.000 2.107 141 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 141 E C 2.430 179.016 176.600 -0.023 0.000 0.982 141 E CA 1.245 57.601 56.400 -0.072 0.000 0.809 141 E CB -0.129 29.529 29.700 -0.069 0.000 0.756 141 E HN 0.830 nan 8.360 nan 0.000 0.459 142 S N 0.868 116.553 115.700 -0.026 0.000 2.368 142 S HA -0.098 4.372 4.470 -0.000 0.000 0.224 142 S C 2.081 176.710 174.600 0.049 0.000 1.029 142 S CA 0.618 58.822 58.200 0.008 0.000 0.988 142 S CB -0.441 62.760 63.200 0.003 0.000 0.838 142 S HN 0.150 nan 8.310 nan 0.000 0.462 143 L N 0.056 121.311 121.223 0.055 0.000 2.093 143 L HA 0.037 4.377 4.340 -0.000 0.000 0.208 143 L C 2.431 179.438 176.870 0.228 0.000 1.085 143 L CA 0.596 55.532 54.840 0.159 0.000 0.755 143 L CB -0.469 41.615 42.059 0.042 0.000 0.904 143 L HN 0.293 nan 8.230 nan 0.000 0.435 144 L N -0.282 121.018 121.223 0.130 0.000 2.291 144 L HA -0.050 4.290 4.340 -0.000 0.000 0.214 144 L C 2.375 179.305 176.870 0.099 0.000 1.120 144 L CA 1.526 56.448 54.840 0.138 0.000 0.799 144 L CB -0.852 41.267 42.059 0.099 0.000 0.925 144 L HN 0.132 nan 8.230 nan 0.000 0.446 145 A N -1.579 121.284 122.820 0.072 0.000 2.275 145 A HA 0.492 4.812 4.320 -0.000 0.000 0.212 145 A C 1.530 179.140 177.584 0.042 0.000 1.201 145 A CA 0.634 52.699 52.037 0.046 0.000 0.843 145 A CB -0.314 18.703 19.000 0.029 0.000 0.873 145 A HN 0.227 nan 8.150 nan 0.000 0.492 146 A N -0.992 121.868 122.820 0.066 0.000 2.855 146 A HA 0.511 4.831 4.320 -0.000 0.000 0.301 146 A C 1.123 178.686 177.584 -0.035 0.000 1.076 146 A CA 0.393 52.452 52.037 0.037 0.000 1.004 146 A CB -1.014 18.028 19.000 0.069 0.000 1.152 146 A HN 1.677 nan 8.150 nan 0.000 0.531 147 G N -0.921 107.848 108.800 -0.051 0.000 2.171 147 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.238 147 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.238 147 G C -0.367 174.353 174.900 -0.301 0.000 1.039 147 G CA 0.209 45.209 45.100 -0.166 0.000 0.759 147 G HN 0.554 nan 8.290 nan 0.000 0.501 148 Y N -0.395 119.926 120.300 0.035 0.000 2.425 148 Y HA 0.421 4.971 4.550 -0.000 0.000 0.344 148 Y C 0.990 176.927 175.900 0.061 0.000 0.969 148 Y CA -0.945 57.182 58.100 0.045 0.000 1.052 148 Y CB 1.706 40.195 38.460 0.047 0.000 1.215 148 Y HN 0.054 nan 8.280 nan 0.000 0.451 149 D N 1.882 122.426 120.400 0.242 0.000 2.194 149 D HA 0.076 4.716 4.640 -0.000 0.000 0.204 149 D C 0.640 177.070 176.300 0.216 0.000 0.964 149 D CA 0.917 55.027 54.000 0.183 0.000 0.846 149 D CB 0.514 41.397 40.800 0.138 0.000 0.962 149 D HN 0.711 nan 8.370 nan 0.000 0.490 150 G N -0.558 108.373 108.800 0.218 0.000 2.690 150 G HA2 0.506 4.466 3.960 -0.000 0.000 0.293 150 G HA3 0.506 4.466 3.960 -0.000 0.000 0.293 150 G C -1.577 173.401 174.900 0.130 0.000 1.399 150 G CA -0.370 44.849 45.100 0.198 0.000 0.890 150 G HN -0.068 nan 8.290 nan 0.000 0.485 151 V N 1.235 121.244 119.914 0.158 0.000 2.623 151 V HA 0.476 4.596 4.120 -0.000 0.000 0.304 151 V C -0.844 175.361 176.094 0.186 0.000 1.054 151 V CA -0.744 61.600 62.300 0.073 0.000 0.882 151 V CB 1.588 33.422 31.823 0.019 0.000 1.002 151 V HN 0.779 nan 8.190 nan 0.000 0.424 152 L N 6.468 127.747 121.223 0.095 0.000 2.275 152 L HA 0.695 5.035 4.340 -0.000 0.000 0.288 152 L C -0.030 176.915 176.870 0.126 0.000 1.046 152 L CA 0.355 55.267 54.840 0.120 0.000 0.805 152 L CB 0.708 42.797 42.059 0.050 0.000 1.193 152 L HN 0.632 nan 8.230 nan 0.000 0.426 153 R N 6.076 126.698 120.500 0.203 0.000 2.795 153 R HA 0.732 5.072 4.340 -0.000 0.000 0.275 153 R C -0.966 175.409 176.300 0.125 0.000 0.981 153 R CA -0.854 55.348 56.100 0.170 0.000 0.917 153 R CB 2.272 32.717 30.300 0.243 0.000 1.202 153 R HN 0.809 nan 8.270 nan 0.000 0.469 154 I N -2.798 117.816 120.570 0.074 0.000 3.239 154 I HA 0.799 4.969 4.170 -0.000 0.000 0.314 154 I C 0.477 176.612 176.117 0.030 0.000 1.126 154 I CA -0.714 60.596 61.300 0.017 0.000 0.973 154 I CB 1.937 39.919 38.000 -0.030 0.000 1.252 154 I HN 0.730 nan 8.210 nan 0.000 0.463 155 G N 1.899 110.694 108.800 -0.010 0.000 2.633 155 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.263 155 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.263 155 G C 0.166 175.100 174.900 0.057 0.000 1.310 155 G CA 0.680 45.800 45.100 0.033 0.000 0.914 155 G HN 0.883 nan 8.290 nan 0.000 0.569 156 D N 0.256 120.704 120.400 0.078 0.000 2.158 156 D HA -0.087 4.553 4.640 -0.000 0.000 0.197 156 D C 1.991 178.335 176.300 0.073 0.000 0.995 156 D CA 1.709 55.743 54.000 0.056 0.000 0.846 156 D CB -0.287 40.564 40.800 0.085 0.000 0.941 156 D HN 0.464 nan 8.370 nan 0.000 0.456 157 D N 0.457 120.908 120.400 0.085 0.000 2.104 157 D HA -0.117 4.523 4.640 -0.000 0.000 0.194 157 D C 2.082 178.464 176.300 0.137 0.000 0.994 157 D CA 1.416 55.468 54.000 0.088 0.000 0.830 157 D CB -0.334 40.505 40.800 0.065 0.000 0.959 157 D HN 0.162 nan 8.370 nan 0.000 0.452 158 A N 0.964 123.882 122.820 0.163 0.000 1.865 158 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 158 A C 2.200 179.980 177.584 0.328 0.000 1.191 158 A CA 1.275 53.482 52.037 0.283 0.000 0.623 158 A CB -0.880 18.238 19.000 0.196 0.000 0.826 158 A HN 0.244 nan 8.150 nan 0.000 0.444 159 L N -0.132 121.197 121.223 0.178 0.000 2.012 159 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 159 L C 2.478 179.562 176.870 0.357 0.000 1.073 159 L CA 2.505 57.454 54.840 0.181 0.000 0.748 159 L CB -0.706 41.273 42.059 -0.135 0.000 0.891 159 L HN 0.487 nan 8.230 nan 0.000 0.431 160 R N -0.574 120.063 120.500 0.229 0.000 2.083 160 R HA -0.185 4.155 4.340 -0.000 0.000 0.237 160 R C 2.225 178.683 176.300 0.264 0.000 1.137 160 R CA 1.997 58.230 56.100 0.221 0.000 0.951 160 R CB -0.219 30.160 30.300 0.131 0.000 0.851 160 R HN 0.534 nan 8.270 nan 0.000 0.434 161 E N -0.813 119.544 120.200 0.261 0.000 2.072 161 E HA -0.226 4.124 4.350 -0.000 0.000 0.191 161 E C 1.573 178.423 176.600 0.417 0.000 0.985 161 E CA 1.236 57.766 56.400 0.216 0.000 0.801 161 E CB -0.267 29.423 29.700 -0.017 0.000 0.750 161 E HN 0.466 nan 8.360 nan 0.000 0.452 162 W N 0.850 122.420 121.300 0.451 0.000 2.318 162 W HA -0.313 4.347 4.660 -0.000 0.000 0.313 162 W C 2.044 178.726 176.519 0.272 0.000 1.221 162 W CA 1.719 59.288 57.345 0.374 0.000 1.266 162 W CB -0.663 28.952 29.460 0.258 0.000 1.150 162 W HN 0.098 nan 8.180 nan 0.000 0.496 163 Y N 1.193 121.421 120.300 -0.120 0.000 2.181 163 Y HA -0.022 4.528 4.550 -0.000 0.000 0.288 163 Y C 2.509 178.227 175.900 -0.303 0.000 1.146 163 Y CA 2.401 60.187 58.100 -0.523 0.000 1.164 163 Y CB -0.955 37.425 38.460 -0.135 0.000 0.982 163 Y HN 0.003 nan 8.280 nan 0.000 0.515 164 G N -1.359 107.363 108.800 -0.131 0.000 2.509 164 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.218 164 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.218 164 G C 1.514 176.302 174.900 -0.186 0.000 1.124 164 G CA 1.093 46.090 45.100 -0.172 0.000 0.776 164 G HN 0.370 nan 8.290 nan 0.000 0.547 165 V N -0.684 119.142 119.914 -0.147 0.000 2.685 165 V HA 0.086 4.206 4.120 -0.000 0.000 0.244 165 V C 2.381 178.360 176.094 -0.192 0.000 1.054 165 V CA 0.778 63.025 62.300 -0.089 0.000 1.076 165 V CB 0.895 32.780 31.823 0.104 0.000 0.725 165 V HN 0.195 nan 8.190 nan 0.000 0.467 166 V N -0.391 119.302 119.914 -0.368 0.000 3.661 166 V HA 0.405 4.525 4.120 -0.000 0.000 0.271 166 V C 1.353 177.173 176.094 -0.457 0.000 1.315 166 V CA 0.899 62.968 62.300 -0.384 0.000 1.072 166 V CB 0.443 32.006 31.823 -0.434 0.000 0.830 166 V HN 0.528 nan 8.190 nan 0.000 0.443 167 G N 1.053 109.450 108.800 -0.671 0.000 2.509 167 G HA2 0.458 4.418 3.960 -0.000 0.000 0.269 167 G HA3 0.458 4.418 3.960 -0.000 0.000 0.269 167 G C -2.180 172.441 174.900 -0.465 0.000 1.416 167 G CA -0.469 44.188 45.100 -0.738 0.000 1.052 167 G HN 0.326 nan 8.290 nan 0.000 0.542 168 P HA 0.417 nan 4.420 nan 0.000 0.281 168 P C -0.546 176.689 177.300 -0.108 0.000 1.281 168 P CA -0.641 62.236 63.100 -0.373 0.000 0.811 168 P CB 1.338 32.941 31.700 -0.163 0.000 1.154 169 L N 0.176 121.464 121.223 0.108 0.000 2.469 169 L HA 0.489 4.829 4.340 -0.000 0.000 0.253 169 L C 0.970 177.868 176.870 0.046 0.000 1.143 169 L CA 0.326 55.222 54.840 0.093 0.000 0.804 169 L CB 0.605 42.752 42.059 0.146 0.000 1.214 169 L HN 0.741 nan 8.230 nan 0.000 0.476 170 T N -3.126 111.443 114.554 0.025 0.000 2.843 170 T HA 0.407 4.757 4.350 -0.000 0.000 0.302 170 T C -2.267 172.437 174.700 0.007 0.000 1.232 170 T CA -1.266 60.840 62.100 0.011 0.000 1.009 170 T CB 1.531 70.397 68.868 -0.003 0.000 1.254 170 T HN 0.229 nan 8.240 nan 0.000 0.504 171 P HA -0.113 nan 4.420 nan 0.000 0.216 171 P C 0.152 177.448 177.300 -0.008 0.000 1.154 171 P CA 1.445 64.543 63.100 -0.003 0.000 0.865 171 P CB -0.124 31.574 31.700 -0.003 0.000 0.789 172 E N -0.455 119.740 120.200 -0.008 0.000 2.349 172 E HA 0.465 4.814 4.350 -0.000 0.000 0.262 172 E C -0.333 176.261 176.600 -0.011 0.000 1.088 172 E CA -0.796 55.598 56.400 -0.010 0.000 0.899 172 E CB 0.267 29.961 29.700 -0.010 0.000 1.044 172 E HN -0.043 nan 8.360 nan 0.000 0.420 173 R N -0.875 119.617 120.500 -0.013 0.000 1.005 173 R HA -0.124 4.216 4.340 -0.000 0.000 0.429 173 R C -0.623 175.667 176.300 -0.016 0.000 1.360 173 R CA 0.716 56.808 56.100 -0.013 0.000 1.140 173 R CB -1.139 29.154 30.300 -0.011 0.000 3.349 173 R HN 0.863 nan 8.270 nan 0.000 0.512 177 S N 0.242 115.985 115.700 0.073 0.000 2.540 177 S HA 0.487 4.957 4.470 -0.000 0.000 0.222 177 S C 0.507 175.110 174.600 0.004 0.000 1.008 177 S CA -0.423 57.795 58.200 0.030 0.000 0.939 177 S CB -0.029 63.176 63.200 0.009 0.000 0.865 177 S HN 0.301 nan 8.310 nan 0.000 0.499 178 L N 3.804 125.060 121.223 0.055 0.000 2.503 178 L HA 0.326 4.666 4.340 -0.000 0.000 0.287 178 L C -1.643 175.168 176.870 -0.097 0.000 1.252 178 L CA -1.024 53.827 54.840 0.019 0.000 0.835 178 L CB -0.302 41.830 42.059 0.122 0.000 1.099 178 L HN 0.200 nan 8.230 nan 0.000 0.516 179 P HA 0.120 nan 4.420 nan 0.000 0.289 179 P C -0.406 176.770 177.300 -0.206 0.000 1.299 179 P CA -0.020 62.950 63.100 -0.216 0.000 0.766 179 P CB 0.566 32.199 31.700 -0.112 0.000 1.226 180 H N -2.531 116.582 119.070 0.072 0.000 2.893 180 H HA 0.307 4.863 4.556 -0.000 0.000 0.270 180 H C 0.014 175.362 175.328 0.034 0.000 1.095 180 H CA 0.228 56.333 56.048 0.094 0.000 1.186 180 H CB 0.416 30.228 29.762 0.084 0.000 1.562 180 H HN 0.312 nan 8.280 nan 0.000 0.536 181 T N -0.124 114.477 114.554 0.079 0.000 2.906 181 T HA 0.664 5.014 4.350 -0.000 0.000 0.295 181 T C 0.018 174.709 174.700 -0.015 0.000 1.075 181 T CA -0.662 61.454 62.100 0.026 0.000 1.005 181 T CB 2.659 71.535 68.868 0.014 0.000 1.136 181 T HN 0.347 nan 8.240 nan 0.000 0.498 182 G N 0.834 109.624 108.800 -0.017 0.000 2.682 182 G HA2 0.480 4.440 3.960 -0.000 0.000 0.300 182 G HA3 0.480 4.440 3.960 -0.000 0.000 0.300 182 G C -0.630 174.257 174.900 -0.022 0.000 1.396 182 G CA -0.937 44.140 45.100 -0.039 0.000 1.104 182 G HN 0.681 nan 8.290 nan 0.000 0.587 183 R N 0.696 121.180 120.500 -0.027 0.000 3.333 183 R HA -0.249 4.090 4.340 -0.000 0.000 0.256 183 R C 1.558 177.855 176.300 -0.005 0.000 1.010 183 R CA 1.377 57.466 56.100 -0.017 0.000 0.680 183 R CB -1.455 28.833 30.300 -0.020 0.000 1.102 183 R HN 2.447 nan 8.270 nan 0.000 0.440 184 G N -0.509 108.287 108.800 -0.006 0.000 2.189 184 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.267 184 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.267 184 G C 0.301 175.199 174.900 -0.004 0.000 0.975 184 G CA 0.599 45.697 45.100 -0.003 0.000 0.644 184 G HN 0.470 nan 8.290 nan 0.000 0.537 185 I N 1.538 122.112 120.570 0.006 0.000 2.336 185 I HA 0.410 4.580 4.170 -0.000 0.000 0.292 185 I C 0.198 176.304 176.117 -0.018 0.000 0.991 185 I CA -0.547 60.765 61.300 0.020 0.000 1.227 185 I CB 1.864 39.925 38.000 0.101 0.000 1.366 185 I HN -0.036 nan 8.210 nan 0.000 0.466 186 T N 5.683 120.143 114.554 -0.158 0.000 2.829 186 T HA 0.423 4.773 4.350 -0.000 0.000 0.282 186 T C -0.197 174.389 174.700 -0.189 0.000 0.990 186 T CA -0.450 61.511 62.100 -0.231 0.000 1.028 186 T CB 1.677 70.246 68.868 -0.498 0.000 0.951 186 T HN 0.204 nan 8.240 nan 0.000 0.460 187 V N 3.997 123.882 119.914 -0.048 0.000 2.334 187 V HA 0.336 4.456 4.120 -0.000 0.000 0.281 187 V C 0.401 176.465 176.094 -0.049 0.000 1.016 187 V CA -0.733 61.486 62.300 -0.135 0.000 0.832 187 V CB 1.174 32.957 31.823 -0.067 0.000 0.999 187 V HN 0.936 nan 8.190 nan 0.000 0.439 188 T N 4.011 118.560 114.554 -0.009 0.000 2.744 188 T HA 0.183 4.533 4.350 -0.000 0.000 0.291 188 T C -0.167 174.457 174.700 -0.126 0.000 0.957 188 T CA -0.130 61.957 62.100 -0.021 0.000 1.002 188 T CB 0.689 69.593 68.868 0.060 0.000 0.919 188 T HN 0.715 nan 8.240 nan 0.000 0.468 189 D N 3.761 124.059 120.400 -0.170 0.000 2.316 189 D HA 0.133 4.773 4.640 -0.000 0.000 0.245 189 D C 1.245 177.463 176.300 -0.138 0.000 1.171 189 D CA -0.333 53.545 54.000 -0.202 0.000 0.856 189 D CB 0.874 41.498 40.800 -0.294 0.000 1.090 189 D HN 0.439 nan 8.370 nan 0.000 0.476 190 L N 3.356 124.508 121.223 -0.117 0.000 2.083 190 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 190 L C 2.432 179.255 176.870 -0.078 0.000 1.083 190 L CA 1.121 55.905 54.840 -0.093 0.000 0.752 190 L CB -0.439 41.553 42.059 -0.113 0.000 0.899 190 L HN 0.443 nan 8.230 nan 0.000 0.433 191 A N -0.313 122.475 122.820 -0.052 0.000 1.930 191 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 191 A C 2.222 179.865 177.584 0.098 0.000 1.175 191 A CA 1.656 53.703 52.037 0.016 0.000 0.627 191 A CB -0.400 18.659 19.000 0.098 0.000 0.815 191 A HN 0.373 nan 8.150 nan 0.000 0.443 192 Q N 0.036 119.836 119.800 -0.000 0.000 2.079 192 Q HA -0.136 4.204 4.340 -0.000 0.000 0.200 192 Q C 1.853 177.915 176.000 0.104 0.000 0.974 192 Q CA 1.807 57.631 55.803 0.035 0.000 0.840 192 Q CB -0.259 28.425 28.738 -0.091 0.000 0.898 192 Q HN 0.622 nan 8.270 nan 0.000 0.430 193 E N -0.451 119.779 120.200 0.050 0.000 2.085 193 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 193 E C 1.642 178.307 176.600 0.109 0.000 0.994 193 E CA 0.975 57.404 56.400 0.049 0.000 0.801 193 E CB -0.620 29.094 29.700 0.022 0.000 0.743 193 E HN 0.582 nan 8.360 nan 0.000 0.453 194 W N 0.498 121.768 121.300 -0.049 0.000 2.358 194 W HA -0.254 4.406 4.660 -0.000 0.000 0.303 194 W C 2.023 178.548 176.519 0.009 0.000 1.208 194 W CA 1.051 58.385 57.345 -0.017 0.000 1.274 194 W CB -0.446 29.000 29.460 -0.024 0.000 1.138 194 W HN 0.041 nan 8.180 nan 0.000 0.515 195 F N 2.465 122.432 119.950 0.028 0.000 2.102 195 F HA -0.239 4.288 4.527 -0.000 0.000 0.298 195 F C 2.017 177.713 175.800 -0.173 0.000 1.105 195 F CA 2.463 60.406 58.000 -0.096 0.000 1.239 195 F CB -0.884 38.106 39.000 -0.016 0.000 0.991 195 F HN -0.259 nan 8.300 nan 0.000 0.474 196 D N 0.462 120.752 120.400 -0.183 0.000 2.149 196 D HA -0.184 4.456 4.640 -0.000 0.000 0.198 196 D C 2.195 178.276 176.300 -0.364 0.000 0.990 196 D CA 1.433 55.278 54.000 -0.260 0.000 0.839 196 D CB -0.580 40.182 40.800 -0.062 0.000 0.948 196 D HN 0.354 nan 8.370 nan 0.000 0.460 197 L N 0.269 121.283 121.223 -0.348 0.000 2.095 197 L HA -0.045 4.295 4.340 -0.000 0.000 0.204 197 L C 2.083 178.624 176.870 -0.548 0.000 1.080 197 L CA 2.069 56.684 54.840 -0.376 0.000 0.759 197 L CB -0.634 41.242 42.059 -0.305 0.000 0.914 197 L HN 0.148 nan 8.230 nan 0.000 0.439 198 T N -5.339 108.736 114.554 -0.798 0.000 2.959 198 T HA 0.340 4.690 4.350 -0.000 0.000 0.254 198 T C 1.445 175.503 174.700 -1.070 0.000 1.003 198 T CA 0.380 61.937 62.100 -0.904 0.000 0.950 198 T CB 0.207 68.403 68.868 -1.120 0.000 1.090 198 T HN 0.568 nan 8.240 nan 0.000 0.503 199 G N 1.195 109.367 108.800 -1.047 0.000 2.168 199 G HA2 -0.237 3.722 3.960 -0.000 0.000 0.263 199 G HA3 -0.237 3.722 3.960 -0.000 0.000 0.263 199 G C -0.072 174.602 174.900 -0.377 0.000 0.977 199 G CA 0.658 45.117 45.100 -1.068 0.000 0.659 199 G HN 0.839 nan 8.290 nan 0.000 0.533 200 H N 0.316 119.320 119.070 -0.111 0.000 2.737 200 H HA 0.581 5.137 4.556 -0.000 0.000 0.358 200 H C -2.211 173.316 175.328 0.331 0.000 1.187 200 H CA -2.057 54.064 56.048 0.122 0.000 1.221 200 H CB 2.327 32.130 29.762 0.070 0.000 1.799 200 H HN 0.156 nan 8.280 nan 0.000 0.568 201 P HA 0.051 nan 4.420 nan 0.000 0.276 201 P C -1.166 176.396 177.300 0.437 0.000 1.261 201 P CA -0.108 63.212 63.100 0.366 0.000 0.800 201 P CB 1.131 32.933 31.700 0.169 0.000 1.066 202 F N -0.153 119.834 119.950 0.062 0.000 2.508 202 F HA 0.407 4.934 4.527 -0.000 0.000 0.325 202 F C -0.360 175.200 175.800 -0.401 0.000 1.090 202 F CA -0.163 57.605 58.000 -0.386 0.000 0.945 202 F CB 1.752 40.236 39.000 -0.861 0.000 1.156 202 F HN 0.074 nan 8.300 nan 0.000 0.463 203 T N 7.160 121.102 114.554 -1.019 0.000 2.756 203 T HA 0.266 4.616 4.350 -0.000 0.000 0.290 203 T C 0.505 174.809 174.700 -0.660 0.000 0.985 203 T CA -0.030 61.748 62.100 -0.537 0.000 0.955 203 T CB 0.447 69.113 68.868 -0.336 0.000 0.930 203 T HN 0.487 nan 8.240 nan 0.000 0.451 204 F N 1.841 121.755 119.950 -0.060 0.000 2.473 204 F HA 0.515 5.042 4.527 -0.000 0.000 0.294 204 F C 1.426 177.196 175.800 -0.049 0.000 1.103 204 F CA -0.006 58.004 58.000 0.015 0.000 1.442 204 F CB 0.340 39.373 39.000 0.055 0.000 1.097 204 F HN 0.611 nan 8.300 nan 0.000 0.547 205 A N -0.579 122.312 122.820 0.119 0.000 2.612 205 A HA 0.698 5.018 4.320 -0.000 0.000 0.293 205 A C -1.157 176.453 177.584 0.044 0.000 1.075 205 A CA -0.267 51.791 52.037 0.036 0.000 0.680 205 A CB 0.994 19.967 19.000 -0.046 0.000 1.279 205 A HN 0.115 nan 8.150 nan 0.000 0.411 206 V N -3.362 116.545 119.914 -0.011 0.000 3.165 206 V HA 0.795 4.915 4.120 -0.000 0.000 0.309 206 V C -1.243 174.855 176.094 0.006 0.000 1.267 206 V CA -1.120 61.231 62.300 0.084 0.000 1.067 206 V CB 1.815 33.602 31.823 -0.061 0.000 1.082 206 V HN 0.966 nan 8.190 nan 0.000 0.451 207 W N 1.125 122.426 121.300 0.000 0.000 2.294 207 W HA 0.805 5.465 4.660 -0.000 0.000 0.314 207 W C -0.075 176.461 176.519 0.029 0.000 1.044 207 W CA -0.109 57.263 57.345 0.045 0.000 1.284 207 W CB 1.858 31.324 29.460 0.011 0.000 1.231 207 W HN 1.049 nan 8.180 nan 0.000 0.419 208 A N 5.234 128.134 122.820 0.133 0.000 2.340 208 A HA 0.854 5.174 4.320 -0.000 0.000 0.331 208 A C -1.642 176.064 177.584 0.203 0.000 1.140 208 A CA -0.436 51.634 52.037 0.054 0.000 0.801 208 A CB 1.361 20.355 19.000 -0.010 0.000 1.234 208 A HN 0.600 nan 8.150 nan 0.000 0.469 209 Y N -0.769 119.597 120.300 0.110 0.000 2.615 209 Y HA 0.749 5.299 4.550 -0.000 0.000 0.341 209 Y C -0.249 175.711 175.900 0.100 0.000 1.089 209 Y CA -1.391 56.775 58.100 0.110 0.000 1.049 209 Y CB 1.035 39.599 38.460 0.172 0.000 1.296 209 Y HN 0.618 nan 8.280 nan 0.000 0.470 210 R N 1.827 122.468 120.500 0.235 0.000 2.389 210 R HA 0.208 4.548 4.340 -0.000 0.000 0.295 210 R C 0.577 177.010 176.300 0.221 0.000 1.075 210 R CA -0.466 55.713 56.100 0.133 0.000 1.005 210 R CB 0.992 31.352 30.300 0.101 0.000 0.987 210 R HN 0.829 nan 8.270 nan 0.000 0.452 211 K N 1.590 122.043 120.400 0.089 0.000 2.160 211 K HA -0.220 4.100 4.320 -0.000 0.000 0.206 211 K C 1.006 177.717 176.600 0.184 0.000 1.047 211 K CA 2.187 58.554 56.287 0.134 0.000 0.930 211 K CB -0.057 32.476 32.500 0.054 0.000 0.720 211 K HN 0.657 nan 8.250 nan 0.000 0.450 212 D N -0.685 119.798 120.400 0.137 0.000 2.363 212 D HA -0.091 4.548 4.640 -0.000 0.000 0.226 212 D C 0.111 176.491 176.300 0.133 0.000 1.020 212 D CA 0.377 54.445 54.000 0.113 0.000 0.892 212 D CB 0.005 40.849 40.800 0.074 0.000 0.900 212 D HN -0.019 nan 8.370 nan 0.000 0.531 213 N N -0.120 118.700 118.700 0.200 0.000 2.697 213 N HA 0.251 4.991 4.740 -0.000 0.000 0.253 213 N C -2.923 172.745 175.510 0.263 0.000 1.604 213 N CA -1.568 51.607 53.050 0.208 0.000 0.772 213 N CB 0.725 39.315 38.487 0.172 0.000 1.267 213 N HN -0.158 nan 8.380 nan 0.000 0.510 214 P HA 0.117 nan 4.420 nan 0.000 0.266 214 P C -2.528 174.595 177.300 -0.294 0.000 1.193 214 P CA -0.542 62.433 63.100 -0.209 0.000 0.770 214 P CB 0.129 31.753 31.700 -0.127 0.000 0.836 215 P HA 0.164 nan 4.420 nan 0.000 0.272 215 P C -2.434 174.493 177.300 -0.621 0.000 1.223 215 P CA -1.423 61.206 63.100 -0.785 0.000 0.784 215 P CB -0.519 30.906 31.700 -0.458 0.000 0.923 216 P HA 0.106 nan 4.420 nan 0.000 0.275 216 P C 0.700 177.850 177.300 -0.250 0.000 1.227 216 P CA -0.212 62.660 63.100 -0.380 0.000 0.781 216 P CB 0.710 32.201 31.700 -0.348 0.000 0.906 217 A N 3.581 126.301 122.820 -0.166 0.000 1.986 217 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 217 A C 2.209 179.737 177.584 -0.093 0.000 1.171 217 A CA 2.284 54.254 52.037 -0.112 0.000 0.640 217 A CB -1.467 17.488 19.000 -0.076 0.000 0.811 217 A HN 0.619 nan 8.150 nan 0.000 0.451 218 A N -0.810 121.955 122.820 -0.092 0.000 1.972 218 A HA 0.019 4.339 4.320 -0.000 0.000 0.219 218 A C 2.091 179.638 177.584 -0.061 0.000 1.169 218 A CA 1.656 53.655 52.037 -0.064 0.000 0.635 218 A CB -0.477 18.491 19.000 -0.053 0.000 0.810 218 A HN 0.716 nan 8.150 nan 0.000 0.446 219 L N -0.187 120.982 121.223 -0.091 0.000 2.072 219 L HA -0.033 4.307 4.340 -0.000 0.000 0.205 219 L C 2.203 179.020 176.870 -0.088 0.000 1.079 219 L CA 1.516 56.316 54.840 -0.066 0.000 0.752 219 L CB -0.510 41.502 42.059 -0.079 0.000 0.906 219 L HN 0.389 nan 8.230 nan 0.000 0.436 220 L N -0.775 120.378 121.223 -0.117 0.000 2.046 220 L HA -0.247 4.093 4.340 -0.000 0.000 0.208 220 L C 2.662 179.504 176.870 -0.047 0.000 1.077 220 L CA 1.816 56.587 54.840 -0.115 0.000 0.747 220 L CB -0.696 41.313 42.059 -0.083 0.000 0.896 220 L HN 0.483 nan 8.230 nan 0.000 0.432 221 Q N 0.363 120.143 119.800 -0.033 0.000 2.079 221 Q HA -0.079 4.261 4.340 -0.000 0.000 0.200 221 Q C 1.330 177.325 176.000 -0.008 0.000 0.974 221 Q CA 0.997 56.795 55.803 -0.009 0.000 0.840 221 Q CB 0.101 28.831 28.738 -0.013 0.000 0.898 221 Q HN 0.499 nan 8.270 nan 0.000 0.430 225 E N 1.233 121.440 120.200 0.011 0.000 2.152 225 E HA 0.014 4.364 4.350 -0.000 0.000 0.192 225 E C 1.750 178.349 176.600 -0.002 0.000 0.983 225 E CA 1.136 57.539 56.400 0.005 0.000 0.818 225 E CB 0.134 29.837 29.700 0.006 0.000 0.758 225 E HN 0.365 nan 8.360 nan 0.000 0.467 226 A N 1.503 124.313 122.820 -0.017 0.000 1.872 226 A HA -0.164 4.155 4.320 -0.000 0.000 0.214 226 A C 2.095 179.650 177.584 -0.049 0.000 1.187 226 A CA 1.373 53.391 52.037 -0.032 0.000 0.614 226 A CB -0.379 18.587 19.000 -0.056 0.000 0.826 226 A HN 0.072 nan 8.150 nan 0.000 0.442 227 R N -0.565 119.887 120.500 -0.080 0.000 2.091 227 R HA -0.131 4.209 4.340 -0.000 0.000 0.238 227 R C 2.377 178.634 176.300 -0.071 0.000 1.136 227 R CA 1.662 57.675 56.100 -0.145 0.000 0.959 227 R CB -0.283 29.867 30.300 -0.249 0.000 0.856 227 R HN 0.490 nan 8.270 nan 0.000 0.437 228 R N -0.067 120.416 120.500 -0.027 0.000 2.091 228 R HA -0.120 4.220 4.340 -0.000 0.000 0.238 228 R C 2.438 178.774 176.300 0.059 0.000 1.136 228 R CA 1.964 58.074 56.100 0.017 0.000 0.959 228 R CB -0.041 30.272 30.300 0.022 0.000 0.856 228 R HN 0.266 nan 8.270 nan 0.000 0.437 229 R N -1.213 119.331 120.500 0.074 0.000 2.062 229 R HA -0.041 4.299 4.340 -0.000 0.000 0.229 229 R C 2.381 178.817 176.300 0.225 0.000 1.128 229 R CA 1.269 57.470 56.100 0.167 0.000 0.960 229 R CB -0.510 29.835 30.300 0.074 0.000 0.855 229 R HN 0.324 nan 8.270 nan 0.000 0.432 230 G N 1.510 110.365 108.800 0.091 0.000 2.446 230 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.217 230 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.217 230 G C 1.468 176.429 174.900 0.101 0.000 1.168 230 G CA 0.707 45.854 45.100 0.078 0.000 0.771 230 G HN 0.163 nan 8.290 nan 0.000 0.551 231 I N 1.271 121.879 120.570 0.063 0.000 2.361 231 I HA -0.094 4.076 4.170 -0.000 0.000 0.251 231 I C 2.902 179.062 176.117 0.072 0.000 1.133 231 I CA 0.944 62.302 61.300 0.095 0.000 1.413 231 I CB -0.273 37.780 38.000 0.087 0.000 1.073 231 I HN 0.274 nan 8.210 nan 0.000 0.424 232 G N -0.781 108.030 108.800 0.018 0.000 2.650 232 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.214 232 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.214 232 G C 0.247 174.804 174.900 -0.572 0.000 1.136 232 G CA 0.281 45.248 45.100 -0.221 0.000 0.789 232 G HN 0.504 nan 8.290 nan 0.000 0.536 233 H N -0.396 118.710 119.070 0.060 0.000 2.712 233 H HA 0.291 4.847 4.556 -0.000 0.000 0.226 233 H C 1.069 176.441 175.328 0.073 0.000 1.422 233 H CA -0.828 55.253 56.048 0.056 0.000 1.270 233 H CB 0.577 30.364 29.762 0.042 0.000 1.891 233 H HN -0.084 nan 8.280 nan 0.000 0.518 234 L N 0.315 121.622 121.223 0.140 0.000 2.042 234 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 234 L C 2.429 179.383 176.870 0.139 0.000 1.076 234 L CA 2.023 56.955 54.840 0.154 0.000 0.749 234 L CB -1.171 40.992 42.059 0.173 0.000 0.893 234 L HN 0.619 nan 8.230 nan 0.000 0.432 235 A N -0.470 122.417 122.820 0.112 0.000 1.883 235 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 235 A C 2.232 179.881 177.584 0.107 0.000 1.186 235 A CA 1.794 53.888 52.037 0.094 0.000 0.624 235 A CB -0.492 18.549 19.000 0.068 0.000 0.822 235 A HN 0.488 nan 8.150 nan 0.000 0.444 236 E N -0.538 119.737 120.200 0.124 0.000 2.031 236 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 236 E C 2.022 178.695 176.600 0.121 0.000 0.994 236 E CA 1.391 57.854 56.400 0.106 0.000 0.800 236 E CB -0.307 29.451 29.700 0.098 0.000 0.752 236 E HN 0.379 nan 8.360 nan 0.000 0.447 237 V N 0.942 120.946 119.914 0.150 0.000 2.392 237 V HA -0.269 3.851 4.120 -0.000 0.000 0.249 237 V C 2.274 178.517 176.094 0.247 0.000 1.059 237 V CA 1.816 64.232 62.300 0.193 0.000 1.051 237 V CB -0.372 31.546 31.823 0.158 0.000 0.658 237 V HN 0.193 nan 8.190 nan 0.000 0.455 238 S N -1.085 114.725 115.700 0.184 0.000 2.345 238 S HA -0.230 4.240 4.470 -0.000 0.000 0.219 238 S C 1.979 176.674 174.600 0.158 0.000 1.031 238 S CA 1.526 59.832 58.200 0.177 0.000 0.984 238 S CB -0.279 63.005 63.200 0.141 0.000 0.874 238 S HN 0.564 nan 8.310 nan 0.000 0.451 239 Q N 1.912 121.779 119.800 0.113 0.000 2.014 239 Q HA -0.109 4.231 4.340 -0.000 0.000 0.207 239 Q C 2.163 178.203 176.000 0.067 0.000 0.993 239 Q CA 1.635 57.484 55.803 0.076 0.000 0.850 239 Q CB -0.393 28.378 28.738 0.055 0.000 0.916 239 Q HN 0.333 nan 8.270 nan 0.000 0.417 240 R N -0.934 119.602 120.500 0.060 0.000 2.185 240 R HA -0.213 4.127 4.340 -0.000 0.000 0.247 240 R C 1.290 177.525 176.300 -0.109 0.000 1.159 240 R CA 1.848 57.933 56.100 -0.025 0.000 0.988 240 R CB -0.215 30.062 30.300 -0.038 0.000 0.871 240 R HN 0.544 nan 8.270 nan 0.000 0.458 241 H N -1.563 117.536 119.070 0.047 0.000 2.750 241 H HA 0.198 4.754 4.556 -0.000 0.000 0.263 241 H C 1.796 177.152 175.328 0.047 0.000 0.964 241 H CA 0.559 56.640 56.048 0.054 0.000 1.205 241 H CB 0.515 30.326 29.762 0.082 0.000 1.454 241 H HN 0.306 nan 8.280 nan 0.000 0.503 242 A N 1.660 124.569 122.820 0.148 0.000 1.851 242 A HA -0.241 4.079 4.320 -0.000 0.000 0.216 242 A C 2.278 179.896 177.584 0.056 0.000 1.195 242 A CA 2.129 54.218 52.037 0.086 0.000 0.622 242 A CB -0.399 18.638 19.000 0.062 0.000 0.831 242 A HN 0.326 nan 8.150 nan 0.000 0.444 243 E N 0.292 120.515 120.200 0.040 0.000 2.097 243 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 243 E C 1.856 178.473 176.600 0.028 0.000 1.000 243 E CA 1.889 58.305 56.400 0.026 0.000 0.804 243 E CB -0.159 29.548 29.700 0.012 0.000 0.740 243 E HN 0.453 nan 8.360 nan 0.000 0.454 244 K N -0.155 120.262 120.400 0.029 0.000 2.209 244 K HA -0.057 4.263 4.320 -0.000 0.000 0.204 244 K C 2.076 178.708 176.600 0.053 0.000 1.048 244 K CA 0.856 57.163 56.287 0.033 0.000 0.940 244 K CB -0.118 32.397 32.500 0.025 0.000 0.729 244 K HN 0.323 nan 8.250 nan 0.000 0.451 245 L N -0.406 120.856 121.223 0.065 0.000 2.477 245 L HA 0.108 4.448 4.340 -0.000 0.000 0.220 245 L C 0.723 177.624 176.870 0.051 0.000 1.106 245 L CA 0.324 55.202 54.840 0.064 0.000 0.851 245 L CB -0.076 42.023 42.059 0.066 0.000 0.994 245 L HN 0.314 nan 8.230 nan 0.000 0.462 246 G N 1.458 110.285 108.800 0.044 0.000 2.289 246 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.280 246 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.280 246 G C -0.419 174.507 174.900 0.043 0.000 1.089 246 G CA -0.005 45.121 45.100 0.044 0.000 0.939 246 G HN 0.211 nan 8.290 nan 0.000 0.499 247 L N -1.126 120.104 121.223 0.013 0.000 2.415 247 L HA 0.544 4.884 4.340 -0.000 0.000 0.256 247 L C -2.280 174.552 176.870 -0.064 0.000 1.010 247 L CA -2.536 52.271 54.840 -0.054 0.000 0.826 247 L CB 2.427 44.424 42.059 -0.104 0.000 1.405 247 L HN -0.076 nan 8.230 nan 0.000 0.410 248 P HA 0.019 nan 4.420 nan 0.000 0.269 248 P C 0.290 177.561 177.300 -0.047 0.000 1.209 248 P CA -0.176 62.882 63.100 -0.070 0.000 0.776 248 P CB 0.713 32.358 31.700 -0.091 0.000 0.876 249 E N 3.840 124.038 120.200 -0.004 0.000 2.097 249 E HA -0.251 4.099 4.350 -0.000 0.000 0.196 249 E C 1.617 178.233 176.600 0.027 0.000 1.000 249 E CA 1.610 58.025 56.400 0.025 0.000 0.804 249 E CB 0.015 29.735 29.700 0.033 0.000 0.740 249 E HN 0.456 nan 8.360 nan 0.000 0.454 250 R N -0.159 120.345 120.500 0.007 0.000 2.152 250 R HA -0.043 4.297 4.340 -0.000 0.000 0.232 250 R C 2.352 178.665 176.300 0.022 0.000 1.117 250 R CA 1.384 57.493 56.100 0.016 0.000 0.981 250 R CB -0.654 29.647 30.300 0.001 0.000 0.870 250 R HN -0.006 nan 8.270 nan 0.000 0.451 251 V N 1.132 121.019 119.914 -0.045 0.000 2.453 251 V HA -0.152 3.967 4.120 -0.000 0.000 0.247 251 V C 2.357 178.472 176.094 0.034 0.000 1.048 251 V CA 1.322 63.585 62.300 -0.062 0.000 1.049 251 V CB 0.052 31.706 31.823 -0.283 0.000 0.672 251 V HN 0.186 nan 8.190 nan 0.000 0.457 252 V N -0.416 119.529 119.914 0.050 0.000 2.453 252 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 252 V C 2.343 178.571 176.094 0.224 0.000 1.048 252 V CA 2.032 64.422 62.300 0.150 0.000 1.049 252 V CB -0.488 31.413 31.823 0.129 0.000 0.672 252 V HN 0.588 nan 8.190 nan 0.000 0.457 253 Q N -0.143 119.756 119.800 0.166 0.000 2.020 253 Q HA -0.295 4.045 4.340 -0.000 0.000 0.202 253 Q C 2.308 178.444 176.000 0.227 0.000 0.982 253 Q CA 2.375 58.285 55.803 0.178 0.000 0.838 253 Q CB -0.195 28.613 28.738 0.117 0.000 0.899 253 Q HN 0.797 nan 8.270 nan 0.000 0.423 254 H N -0.848 118.293 119.070 0.119 0.000 2.387 254 H HA -0.177 4.379 4.556 -0.000 0.000 0.299 254 H C 1.682 177.106 175.328 0.159 0.000 1.090 254 H CA 1.900 58.031 56.048 0.138 0.000 1.332 254 H CB -0.335 29.446 29.762 0.032 0.000 1.386 254 H HN 0.417 nan 8.280 nan 0.000 0.516 255 Y N 0.623 120.915 120.300 -0.013 0.000 2.128 255 Y HA -0.226 4.324 4.550 -0.000 0.000 0.284 255 Y C 1.991 177.952 175.900 0.102 0.000 1.154 255 Y CA 1.957 60.023 58.100 -0.057 0.000 1.149 255 Y CB -0.481 37.991 38.460 0.019 0.000 0.976 255 Y HN 0.247 nan 8.280 nan 0.000 0.505 256 L N -1.136 120.195 121.223 0.181 0.000 2.179 256 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 256 L C 2.518 179.512 176.870 0.207 0.000 1.096 256 L CA 0.946 55.931 54.840 0.242 0.000 0.779 256 L CB -0.801 41.419 42.059 0.269 0.000 0.922 256 L HN 0.508 nan 8.230 nan 0.000 0.443 257 W N 1.635 122.909 121.300 -0.044 0.000 2.425 257 W HA -0.192 4.468 4.660 -0.000 0.000 0.277 257 W C 1.897 178.286 176.519 -0.217 0.000 1.231 257 W CA 1.285 58.574 57.345 -0.093 0.000 1.248 257 W CB -0.213 29.178 29.460 -0.114 0.000 1.117 257 W HN 0.293 nan 8.180 nan 0.000 0.568 258 N N 0.055 118.527 118.700 -0.380 0.000 2.512 258 N HA -0.122 4.618 4.740 -0.000 0.000 0.183 258 N C -0.307 174.824 175.510 -0.631 0.000 1.073 258 N CA 0.371 53.099 53.050 -0.538 0.000 0.911 258 N CB -0.330 37.885 38.487 -0.453 0.000 0.964 258 N HN -0.134 nan 8.380 nan 0.000 0.447 259 F N 1.216 120.865 119.950 -0.501 0.000 2.382 259 F HA 0.329 4.856 4.527 -0.000 0.000 0.331 259 F C 0.779 176.118 175.800 -0.768 0.000 1.121 259 F CA -0.308 57.298 58.000 -0.655 0.000 1.183 259 F CB 0.877 39.343 39.000 -0.890 0.000 1.207 259 F HN -0.289 nan 8.300 nan 0.000 0.555 260 R N 2.513 122.772 120.500 -0.402 0.000 2.310 260 R HA 0.255 4.595 4.340 -0.000 0.000 0.324 260 R C -0.918 175.210 176.300 -0.287 0.000 0.955 260 R CA -0.433 55.486 56.100 -0.302 0.000 0.830 260 R CB 0.785 30.994 30.300 -0.152 0.000 1.154 260 R HN 0.646 nan 8.270 nan 0.000 0.458 261 Y N -0.046 120.261 120.300 0.012 0.000 2.467 261 Y HA 0.144 4.694 4.550 -0.000 0.000 0.250 261 Y C 0.896 176.572 175.900 -0.373 0.000 1.155 261 Y CA 0.021 58.038 58.100 -0.139 0.000 1.249 261 Y CB 0.457 38.763 38.460 -0.257 0.000 1.146 261 Y HN 0.626 nan 8.280 nan 0.000 0.524 262 H N -0.732 118.281 119.070 -0.095 0.000 2.549 262 H HA 0.217 4.772 4.556 -0.000 0.000 0.279 262 H C 0.514 175.759 175.328 -0.138 0.000 1.018 262 H CA -0.311 55.624 56.048 -0.187 0.000 1.175 262 H CB 0.227 29.878 29.762 -0.185 0.000 1.485 262 H HN 0.029 nan 8.280 nan 0.000 0.543 263 L N 1.877 123.094 121.223 -0.010 0.000 3.879 263 L HA -0.277 4.063 4.340 -0.000 0.000 0.481 263 L C -0.265 176.549 176.870 -0.095 0.000 1.232 263 L CA 0.393 55.202 54.840 -0.052 0.000 0.736 263 L CB -0.938 41.085 42.059 -0.059 0.000 1.511 263 L HN 0.366 nan 8.230 nan 0.000 0.830 264 E N 0.317 120.478 120.200 -0.064 0.000 2.385 264 E HA 0.494 4.844 4.350 -0.000 0.000 0.254 264 E C 1.450 177.993 176.600 -0.094 0.000 1.228 264 E CA -0.044 56.309 56.400 -0.077 0.000 0.956 264 E CB 0.395 30.057 29.700 -0.063 0.000 1.116 264 E HN 0.456 nan 8.360 nan 0.000 0.507 265 A N 1.468 124.236 122.820 -0.086 0.000 1.884 265 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 265 A C -0.498 177.041 177.584 -0.076 0.000 1.197 265 A CA 1.970 53.959 52.037 -0.080 0.000 0.637 265 A CB -1.808 17.154 19.000 -0.063 0.000 0.827 265 A HN 0.472 nan 8.150 nan 0.000 0.450 266 P HA -0.129 nan 4.420 nan 0.000 0.215 266 P C 0.645 177.923 177.300 -0.036 0.000 1.153 266 P CA 1.460 64.524 63.100 -0.061 0.000 0.853 266 P CB -0.129 31.553 31.700 -0.030 0.000 0.788 267 D N -0.724 119.652 120.400 -0.039 0.000 2.144 267 D HA -0.105 4.535 4.640 -0.000 0.000 0.200 267 D C 1.915 178.184 176.300 -0.051 0.000 0.978 267 D CA 0.931 54.908 54.000 -0.039 0.000 0.833 267 D CB -0.339 40.431 40.800 -0.048 0.000 0.961 267 D HN 0.269 nan 8.370 nan 0.000 0.470 268 R N 0.348 120.807 120.500 -0.068 0.000 2.148 268 R HA -0.030 4.310 4.340 -0.000 0.000 0.223 268 R C 2.303 178.613 176.300 0.016 0.000 1.088 268 R CA 0.203 56.278 56.100 -0.042 0.000 0.985 268 R CB -0.412 29.809 30.300 -0.130 0.000 0.880 268 R HN 0.164 nan 8.270 nan 0.000 0.451 269 L N 0.989 122.204 121.223 -0.014 0.000 2.056 269 L HA 0.030 4.370 4.340 -0.000 0.000 0.207 269 L C 2.150 179.067 176.870 0.080 0.000 1.078 269 L CA 2.026 56.859 54.840 -0.012 0.000 0.749 269 L CB -0.960 41.012 42.059 -0.145 0.000 0.901 269 L HN 0.145 nan 8.230 nan 0.000 0.433 270 G N -0.539 108.327 108.800 0.110 0.000 2.402 270 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.216 270 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.216 270 G C 1.563 176.510 174.900 0.079 0.000 1.162 270 G CA 0.820 46.078 45.100 0.262 0.000 0.777 270 G HN 0.396 nan 8.290 nan 0.000 0.539 271 L N 0.714 121.908 121.223 -0.049 0.000 2.012 271 L HA -0.008 4.332 4.340 -0.000 0.000 0.210 271 L C 2.853 179.755 176.870 0.053 0.000 1.073 271 L CA 1.769 56.569 54.840 -0.067 0.000 0.748 271 L CB -0.510 41.570 42.059 0.035 0.000 0.891 271 L HN 0.144 nan 8.230 nan 0.000 0.431 272 R N -0.618 119.944 120.500 0.104 0.000 2.075 272 R HA -0.115 4.225 4.340 -0.000 0.000 0.232 272 R C 2.130 178.514 176.300 0.139 0.000 1.126 272 R CA 1.555 57.722 56.100 0.110 0.000 0.963 272 R CB -0.338 30.044 30.300 0.136 0.000 0.858 272 R HN 0.531 nan 8.270 nan 0.000 0.435 273 E N 0.068 120.405 120.200 0.228 0.000 2.077 273 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 273 E C 1.696 178.525 176.600 0.383 0.000 0.989 273 E CA 1.162 57.751 56.400 0.314 0.000 0.800 273 E CB -0.175 29.779 29.700 0.423 0.000 0.746 273 E HN 0.215 nan 8.360 nan 0.000 0.452 274 F N 1.706 121.783 119.950 0.211 0.000 2.113 274 F HA -0.123 4.404 4.527 -0.000 0.000 0.297 274 F C 2.234 178.019 175.800 -0.025 0.000 1.103 274 F CA 1.342 59.360 58.000 0.030 0.000 1.248 274 F CB -0.532 38.231 39.000 -0.395 0.000 0.999 274 F HN -0.063 nan 8.300 nan 0.000 0.475 275 A N 0.336 123.008 122.820 -0.246 0.000 1.892 275 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 275 A C 1.987 179.392 177.584 -0.299 0.000 1.188 275 A CA 2.216 53.957 52.037 -0.494 0.000 0.631 275 A CB -1.218 17.363 19.000 -0.698 0.000 0.822 275 A HN 0.473 nan 8.150 nan 0.000 0.447 276 D N -0.244 120.144 120.400 -0.021 0.000 2.178 276 D HA -0.100 4.540 4.640 -0.000 0.000 0.201 276 D C 1.882 178.187 176.300 0.010 0.000 0.980 276 D CA 1.079 55.146 54.000 0.112 0.000 0.842 276 D CB -0.234 40.644 40.800 0.130 0.000 0.948 276 D HN 0.504 nan 8.370 nan 0.000 0.472 277 L N -0.073 121.124 121.223 -0.043 0.000 2.127 277 L HA 0.081 4.421 4.340 -0.000 0.000 0.203 277 L C 2.371 179.155 176.870 -0.144 0.000 1.080 277 L CA 0.826 55.643 54.840 -0.040 0.000 0.768 277 L CB -0.203 41.897 42.059 0.069 0.000 0.924 277 L HN -0.053 nan 8.230 nan 0.000 0.444 278 A N -0.689 121.903 122.820 -0.380 0.000 1.975 278 A HA 0.101 4.421 4.320 -0.000 0.000 0.215 278 A C 1.140 178.565 177.584 -0.266 0.000 1.170 278 A CA 0.676 52.458 52.037 -0.425 0.000 0.656 278 A CB 0.136 18.559 19.000 -0.963 0.000 0.821 278 A HN 0.167 nan 8.150 nan 0.000 0.449 279 V N 1.352 121.123 119.914 -0.239 0.000 2.384 279 V HA 0.229 4.349 4.120 -0.000 0.000 0.257 279 V C -2.900 173.214 176.094 0.034 0.000 0.969 279 V CA -1.675 60.560 62.300 -0.108 0.000 0.910 279 V CB 0.554 32.294 31.823 -0.139 0.000 1.150 279 V HN 0.146 nan 8.190 nan 0.000 0.481 280 P HA 0.195 nan 4.420 nan 0.000 0.262 280 P C 1.174 178.452 177.300 -0.035 0.000 1.182 280 P CA 1.597 64.697 63.100 0.000 0.000 0.761 280 P CB 0.591 32.276 31.700 -0.025 0.000 0.795 281 G N 1.565 110.295 108.800 -0.115 0.000 2.159 281 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.256 281 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.256 281 G C 0.386 175.157 174.900 -0.216 0.000 0.977 281 G CA 0.118 45.113 45.100 -0.174 0.000 0.652 281 G HN 0.932 nan 8.290 nan 0.000 0.531 282 H N 0.094 119.094 119.070 -0.116 0.000 2.913 282 H HA 0.585 5.141 4.556 -0.000 0.000 0.365 282 H C 0.868 176.113 175.328 -0.139 0.000 1.155 282 H CA 0.093 56.053 56.048 -0.147 0.000 1.417 282 H CB 0.430 30.086 29.762 -0.176 0.000 1.386 282 H HN 0.801 nan 8.280 nan 0.000 0.614 283 A N 1.694 124.475 122.820 -0.066 0.000 2.386 283 A HA 0.025 4.344 4.320 -0.000 0.000 0.246 283 A C 0.611 178.168 177.584 -0.045 0.000 1.089 283 A CA -0.165 51.812 52.037 -0.101 0.000 0.790 283 A CB -0.115 18.825 19.000 -0.100 0.000 1.042 283 A HN 0.901 nan 8.150 nan 0.000 0.497 284 E N 0.355 120.511 120.200 -0.074 0.000 2.384 284 E HA 0.237 4.587 4.350 -0.000 0.000 0.266 284 E C -0.871 175.677 176.600 -0.087 0.000 1.012 284 E CA -0.199 56.177 56.400 -0.040 0.000 0.901 284 E CB 0.202 29.876 29.700 -0.044 0.000 0.967 284 E HN 0.488 nan 8.360 nan 0.000 0.435 285 L N 4.762 125.937 121.223 -0.080 0.000 2.361 285 L HA 0.201 4.541 4.340 -0.000 0.000 0.278 285 L C 0.538 177.160 176.870 -0.413 0.000 1.113 285 L CA -0.322 54.368 54.840 -0.250 0.000 0.849 285 L CB 0.445 42.447 42.059 -0.094 0.000 1.155 285 L HN 0.616 nan 8.230 nan 0.000 0.452 286 T N -0.668 113.601 114.554 -0.474 0.000 2.908 286 T HA 0.763 5.113 4.350 -0.000 0.000 0.290 286 T C -0.495 173.753 174.700 -0.753 0.000 1.034 286 T CA -0.633 61.159 62.100 -0.513 0.000 1.010 286 T CB 1.793 70.565 68.868 -0.161 0.000 1.068 286 T HN 0.182 nan 8.240 nan 0.000 0.481 287 F N 0.000 120.035 119.950 0.142 0.000 2.286 287 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 287 F CA 0.000 58.077 58.000 0.128 0.000 1.383 287 F CB 0.000 39.069 39.000 0.114 0.000 1.145 287 F HN 0.000 nan 8.300 nan 0.000 0.574