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 1qzw_1_C DATA FIRST_RESID 1 DATA SEQUENCE MLENIRDAVR KFLTGSTPYE KAVDEFIKDL QKSLISSDVN VKLVFSLTAK DATA SEQUENCE IKERLNKEKP PSVLERKEWF ISIVYDELSK LFGGDKEPNV NPTKLPFIIM DATA SEQUENCE LVGVQGSGKT TTAGKLAYFY KKRGYKVGLV AADVYRPAAY DQLLQLGNQI DATA SEQUENCE GVQVYGEPNN QNPIEIAKKG VDIFVKNKMD IIIVDTAGRH GYGEETKLLE DATA SEQUENCE EMKEMYDVLK PDDVILVIDA SIGQKAYDLA SRFHQASPIG SVIITKMDGT DATA SEQUENCE AKGGGALSAV VATGATIKFI GTGEKIDELE TFNAKRFVSR ILGMGDIESI DATA SEQUENCE LEKVKGLEEY DKIQKKMEDV MEGKGKLTLR DVYAQIIALR KMGPLSKVLQ DATA SEQUENCE HIPGLGIMLP TPSEDQLKIG EEKIRRWLAA LNSMTYKELE NPNIIDKSRM DATA SEQUENCE RRIAEGSGLE VEEVRELLEW YNNMNRLLKM VK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.330 176.300 0.050 0.000 1.140 1 M CA 0.000 55.323 55.300 0.038 0.000 0.988 1 M CB 0.000 32.623 32.600 0.039 0.000 1.302 2 L N 1.025 122.290 121.223 0.070 0.000 1.955 2 L HA -0.122 4.218 4.340 -0.000 0.000 0.213 2 L C 2.331 179.248 176.870 0.079 0.000 1.072 2 L CA 2.799 57.692 54.840 0.088 0.000 0.755 2 L CB -1.652 40.496 42.059 0.149 0.000 0.888 2 L HN 0.880 nan 8.230 nan 0.000 0.432 3 E N 1.271 121.524 120.200 0.090 0.000 2.340 3 E HA -0.360 3.990 4.350 -0.000 0.000 0.246 3 E C 0.512 177.144 176.600 0.054 0.000 1.077 3 E CA 2.374 58.818 56.400 0.074 0.000 1.060 3 E CB -1.460 28.280 29.700 0.066 0.000 0.935 3 E HN 0.653 nan 8.360 nan 0.000 0.495 4 N N 0.960 119.689 118.700 0.049 0.000 2.892 4 N HA 0.091 4.831 4.740 -0.000 0.000 0.300 4 N C 0.195 175.735 175.510 0.049 0.000 1.211 4 N CA 0.387 53.464 53.050 0.045 0.000 1.158 4 N CB 0.631 39.141 38.487 0.039 0.000 1.455 4 N HN 0.326 nan 8.380 nan 0.000 0.524 5 I N -0.014 120.589 120.570 0.055 0.000 5.065 5 I HA -0.012 4.158 4.170 -0.000 0.000 0.319 5 I C 1.351 177.512 176.117 0.072 0.000 1.139 5 I CA 0.364 61.704 61.300 0.066 0.000 1.476 5 I CB 0.017 38.046 38.000 0.048 0.000 1.787 5 I HN 0.254 nan 8.210 nan 0.000 0.549 6 R N 1.976 122.502 120.500 0.043 0.000 2.397 6 R HA -0.123 4.217 4.340 -0.000 0.000 0.213 6 R C 0.254 176.567 176.300 0.022 0.000 1.102 6 R CA 1.915 58.022 56.100 0.013 0.000 1.040 6 R CB -0.484 29.814 30.300 -0.002 0.000 0.844 6 R HN 0.423 nan 8.270 nan 0.000 0.478 7 D N 0.057 120.487 120.400 0.050 0.000 2.394 7 D HA 0.122 4.762 4.640 -0.000 0.000 0.226 7 D C 1.769 178.121 176.300 0.088 0.000 0.990 7 D CA 1.020 55.054 54.000 0.057 0.000 0.902 7 D CB -0.332 40.502 40.800 0.057 0.000 1.038 7 D HN 0.198 nan 8.370 nan 0.000 0.499 8 A N 1.103 123.995 122.820 0.120 0.000 2.042 8 A HA -0.196 4.124 4.320 -0.000 0.000 0.222 8 A C 2.204 179.879 177.584 0.153 0.000 1.167 8 A CA 1.191 53.343 52.037 0.192 0.000 0.649 8 A CB -0.957 18.226 19.000 0.306 0.000 0.809 8 A HN 0.142 nan 8.150 nan 0.000 0.457 9 V N -0.304 119.649 119.914 0.065 0.000 2.217 9 V HA -0.316 3.803 4.120 -0.000 0.000 0.248 9 V C 2.635 178.786 176.094 0.094 0.000 1.050 9 V CA 2.540 64.825 62.300 -0.025 0.000 1.007 9 V CB -0.630 31.165 31.823 -0.047 0.000 0.639 9 V HN 0.655 nan 8.190 nan 0.000 0.452 10 R N -0.324 120.234 120.500 0.096 0.000 2.193 10 R HA -0.105 4.234 4.340 -0.000 0.000 0.213 10 R C 2.291 178.676 176.300 0.143 0.000 1.055 10 R CA 1.059 57.234 56.100 0.125 0.000 0.995 10 R CB -0.154 30.188 30.300 0.071 0.000 0.893 10 R HN 0.523 nan 8.270 nan 0.000 0.459 11 K N -0.087 120.396 120.400 0.140 0.000 2.360 11 K HA -0.190 4.130 4.320 -0.000 0.000 0.201 11 K C 1.460 178.165 176.600 0.174 0.000 1.046 11 K CA 1.288 57.654 56.287 0.133 0.000 0.940 11 K CB -0.159 32.423 32.500 0.137 0.000 0.748 11 K HN 0.205 nan 8.250 nan 0.000 0.465 12 F N 0.616 120.582 119.950 0.028 0.000 2.446 12 F HA 0.197 4.723 4.527 -0.000 0.000 0.292 12 F C 0.382 176.202 175.800 0.034 0.000 1.096 12 F CA -0.040 57.976 58.000 0.026 0.000 1.438 12 F CB 0.288 39.266 39.000 -0.037 0.000 1.107 12 F HN -0.171 nan 8.300 nan 0.000 0.546 13 L N 2.426 123.734 121.223 0.142 0.000 2.679 13 L HA 0.084 4.424 4.340 -0.000 0.000 0.241 13 L C 0.039 176.870 176.870 -0.065 0.000 1.441 13 L CA 0.331 55.177 54.840 0.010 0.000 1.181 13 L CB -1.643 40.481 42.059 0.109 0.000 1.451 13 L HN 0.193 nan 8.230 nan 0.000 0.446 14 T N -1.363 113.092 114.554 -0.166 0.000 3.008 14 T HA 0.375 4.725 4.350 -0.000 0.000 0.328 14 T C 1.225 175.845 174.700 -0.134 0.000 1.020 14 T CA -0.126 61.910 62.100 -0.105 0.000 1.043 14 T CB 1.412 70.244 68.868 -0.059 0.000 1.010 14 T HN 0.474 nan 8.240 nan 0.000 0.466 15 G N 2.522 111.261 108.800 -0.102 0.000 2.432 15 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.219 15 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.219 15 G C 1.689 176.549 174.900 -0.068 0.000 1.135 15 G CA 1.132 46.176 45.100 -0.094 0.000 0.767 15 G HN 0.729 nan 8.290 nan 0.000 0.550 16 S N 0.415 116.085 115.700 -0.049 0.000 2.427 16 S HA -0.162 4.307 4.470 -0.000 0.000 0.231 16 S C 1.737 176.321 174.600 -0.027 0.000 1.045 16 S CA 2.098 60.280 58.200 -0.031 0.000 1.154 16 S CB -1.119 62.069 63.200 -0.020 0.000 1.093 16 S HN 0.683 nan 8.310 nan 0.000 0.422 17 T N 1.619 116.157 114.554 -0.026 0.000 2.940 17 T HA 0.308 4.658 4.350 -0.000 0.000 0.309 17 T C -1.326 173.368 174.700 -0.010 0.000 1.056 17 T CA -1.193 60.901 62.100 -0.011 0.000 1.137 17 T CB 0.639 69.507 68.868 -0.001 0.000 0.976 17 T HN 0.367 nan 8.240 nan 0.000 0.547 18 P HA -0.032 nan 4.420 nan 0.000 0.259 18 P C -0.263 177.123 177.300 0.142 0.000 1.353 18 P CA 0.570 63.703 63.100 0.054 0.000 0.727 18 P CB 0.226 31.958 31.700 0.054 0.000 1.300 19 Y N -1.923 118.353 120.300 -0.041 0.000 3.286 19 Y HA 0.184 4.734 4.550 -0.000 0.000 0.270 19 Y C 2.126 178.011 175.900 -0.025 0.000 2.084 19 Y CA -0.151 57.924 58.100 -0.041 0.000 1.003 19 Y CB -0.328 38.102 38.460 -0.049 0.000 1.695 19 Y HN 0.506 nan 8.280 nan 0.000 0.495 20 E N 0.874 120.778 120.200 -0.493 0.000 2.999 20 E HA -0.529 3.821 4.350 -0.000 0.000 0.206 20 E C 1.829 178.310 176.600 -0.198 0.000 0.958 20 E CA 3.066 59.234 56.400 -0.386 0.000 1.768 20 E CB -0.599 29.014 29.700 -0.145 0.000 1.687 20 E HN 0.537 nan 8.360 nan 0.000 0.406 21 K N 0.111 120.465 120.400 -0.076 0.000 2.001 21 K HA -0.248 4.072 4.320 -0.000 0.000 0.214 21 K C 2.150 178.753 176.600 0.005 0.000 1.050 21 K CA 2.056 58.330 56.287 -0.020 0.000 0.934 21 K CB -0.459 32.045 32.500 0.008 0.000 0.718 21 K HN 0.343 nan 8.250 nan 0.000 0.443 22 A N 0.711 123.539 122.820 0.013 0.000 1.923 22 A HA -0.263 4.056 4.320 -0.000 0.000 0.222 22 A C 2.180 179.857 177.584 0.155 0.000 1.258 22 A CA 2.484 54.570 52.037 0.083 0.000 0.670 22 A CB -1.219 17.822 19.000 0.068 0.000 0.834 22 A HN 0.234 nan 8.150 nan 0.000 0.470 23 V N 0.297 120.210 119.914 -0.002 0.000 2.246 23 V HA -0.322 3.798 4.120 -0.000 0.000 0.237 23 V C 2.210 178.450 176.094 0.244 0.000 1.025 23 V CA 2.197 64.520 62.300 0.038 0.000 0.993 23 V CB -1.097 30.485 31.823 -0.401 0.000 0.642 23 V HN 0.614 nan 8.190 nan 0.000 0.466 24 D N -0.413 120.028 120.400 0.068 0.000 2.248 24 D HA -0.270 4.370 4.640 -0.000 0.000 0.189 24 D C 2.004 178.346 176.300 0.070 0.000 1.011 24 D CA 2.315 56.351 54.000 0.059 0.000 0.868 24 D CB -0.205 40.599 40.800 0.007 0.000 0.931 24 D HN 0.688 nan 8.370 nan 0.000 0.449 25 E N 0.124 120.378 120.200 0.090 0.000 2.012 25 E HA -0.235 4.115 4.350 -0.000 0.000 0.211 25 E C 2.036 178.684 176.600 0.079 0.000 1.029 25 E CA 1.303 57.751 56.400 0.081 0.000 0.867 25 E CB -0.661 29.108 29.700 0.116 0.000 0.790 25 E HN 0.324 nan 8.360 nan 0.000 0.482 26 F N 2.407 122.414 119.950 0.095 0.000 2.064 26 F HA -0.360 4.167 4.527 -0.000 0.000 0.293 26 F C 1.883 177.734 175.800 0.086 0.000 1.086 26 F CA 1.763 59.833 58.000 0.116 0.000 1.242 26 F CB -0.479 38.647 39.000 0.210 0.000 0.970 26 F HN -0.013 nan 8.300 nan 0.000 0.494 27 I N 1.034 121.330 120.570 -0.457 0.000 2.043 27 I HA -0.384 3.785 4.170 -0.000 0.000 0.231 27 I C 2.402 178.277 176.117 -0.403 0.000 1.024 27 I CA 2.293 63.284 61.300 -0.515 0.000 1.309 27 I CB -1.800 36.162 38.000 -0.063 0.000 1.030 27 I HN 0.296 nan 8.210 nan 0.000 0.389 28 K N 0.569 120.860 120.400 -0.180 0.000 2.052 28 K HA -0.257 4.063 4.320 -0.000 0.000 0.215 28 K C 1.681 178.197 176.600 -0.141 0.000 1.053 28 K CA 2.187 58.403 56.287 -0.119 0.000 0.934 28 K CB -0.493 31.975 32.500 -0.053 0.000 0.717 28 K HN 0.379 nan 8.250 nan 0.000 0.450 29 D N 1.029 121.347 120.400 -0.136 0.000 2.182 29 D HA -0.219 4.421 4.640 -0.000 0.000 0.193 29 D C 1.923 178.129 176.300 -0.156 0.000 0.999 29 D CA 1.761 55.703 54.000 -0.097 0.000 0.850 29 D CB -0.719 40.067 40.800 -0.023 0.000 0.994 29 D HN 0.239 nan 8.370 nan 0.000 0.450 30 L N 0.396 121.426 121.223 -0.322 0.000 1.978 30 L HA -0.297 4.043 4.340 -0.000 0.000 0.218 30 L C 2.348 179.094 176.870 -0.207 0.000 1.075 30 L CA 2.677 57.339 54.840 -0.295 0.000 0.767 30 L CB -1.550 40.155 42.059 -0.591 0.000 0.890 30 L HN 0.182 nan 8.230 nan 0.000 0.434 31 Q N 0.258 119.904 119.800 -0.256 0.000 2.224 31 Q HA -0.368 3.972 4.340 -0.000 0.000 0.213 31 Q C 2.259 178.209 176.000 -0.084 0.000 0.998 31 Q CA 2.704 58.416 55.803 -0.152 0.000 0.895 31 Q CB -0.318 28.336 28.738 -0.140 0.000 0.926 31 Q HN 0.769 nan 8.270 nan 0.000 0.417 32 K N 0.240 120.594 120.400 -0.077 0.000 1.965 32 K HA -0.153 4.167 4.320 -0.000 0.000 0.214 32 K C 2.222 178.808 176.600 -0.023 0.000 1.042 32 K CA 1.757 58.021 56.287 -0.039 0.000 0.950 32 K CB -0.323 32.159 32.500 -0.031 0.000 0.733 32 K HN 0.412 nan 8.250 nan 0.000 0.441 33 S N 1.364 117.052 115.700 -0.021 0.000 2.462 33 S HA -0.239 4.230 4.470 -0.000 0.000 0.255 33 S C 1.834 176.447 174.600 0.020 0.000 1.058 33 S CA 1.765 59.967 58.200 0.003 0.000 1.019 33 S CB -1.092 62.112 63.200 0.007 0.000 0.801 33 S HN 0.359 nan 8.310 nan 0.000 0.491 34 L N 0.655 121.885 121.223 0.012 0.000 1.984 34 L HA 0.058 4.398 4.340 -0.000 0.000 0.207 34 L C 2.580 179.472 176.870 0.036 0.000 1.111 34 L CA 0.461 55.324 54.840 0.039 0.000 0.770 34 L CB -1.061 41.010 42.059 0.021 0.000 0.900 34 L HN 0.150 nan 8.230 nan 0.000 0.441 35 I N 0.690 121.272 120.570 0.019 0.000 2.145 35 I HA -0.295 3.875 4.170 -0.000 0.000 0.244 35 I C 2.715 178.838 176.117 0.011 0.000 1.075 35 I CA 1.583 62.891 61.300 0.014 0.000 1.332 35 I CB -1.866 36.135 38.000 0.003 0.000 1.033 35 I HN 0.279 nan 8.210 nan 0.000 0.410 36 S N 0.637 116.341 115.700 0.008 0.000 2.392 36 S HA -0.129 4.341 4.470 -0.000 0.000 0.232 36 S C 1.352 175.959 174.600 0.011 0.000 1.041 36 S CA 1.287 59.491 58.200 0.007 0.000 1.026 36 S CB -0.330 62.874 63.200 0.006 0.000 0.845 36 S HN 0.464 nan 8.310 nan 0.000 0.465 37 S N 1.884 117.597 115.700 0.022 0.000 3.700 37 S HA 0.204 4.674 4.470 -0.000 0.000 0.192 37 S C 0.353 174.969 174.600 0.027 0.000 1.430 37 S CA -0.440 57.776 58.200 0.027 0.000 0.999 37 S CB -0.247 62.981 63.200 0.046 0.000 1.411 37 S HN 0.513 nan 8.310 nan 0.000 0.491 38 D N 1.164 121.571 120.400 0.011 0.000 4.344 38 D HA -0.280 4.360 4.640 -0.000 0.000 0.144 38 D C -0.215 176.095 176.300 0.017 0.000 0.730 38 D CA 1.819 55.823 54.000 0.005 0.000 1.156 38 D CB -1.163 39.637 40.800 0.001 0.000 0.570 38 D HN 0.581 nan 8.370 nan 0.000 0.533 39 V N 0.410 120.346 119.914 0.036 0.000 3.727 39 V HA -0.245 3.874 4.120 -0.000 0.000 0.527 39 V C 0.749 176.859 176.094 0.027 0.000 0.682 39 V CA 1.185 63.519 62.300 0.057 0.000 2.082 39 V CB -0.850 31.018 31.823 0.075 0.000 2.487 39 V HN 0.737 nan 8.190 nan 0.000 0.516 40 N N 2.461 121.174 118.700 0.022 0.000 2.347 40 N HA 0.469 5.209 4.740 -0.000 0.000 0.253 40 N C 0.675 176.185 175.510 0.000 0.000 1.274 40 N CA 0.368 53.410 53.050 -0.012 0.000 0.941 40 N CB 1.874 40.331 38.487 -0.049 0.000 1.200 40 N HN 0.744 nan 8.380 nan 0.000 0.514 41 V N 1.116 121.022 119.914 -0.013 0.000 3.137 41 V HA 0.059 4.179 4.120 -0.000 0.000 0.236 41 V C 2.206 178.309 176.094 0.015 0.000 1.260 41 V CA 1.171 63.474 62.300 0.005 0.000 1.244 41 V CB -0.457 31.367 31.823 0.001 0.000 1.016 41 V HN 0.818 nan 8.190 nan 0.000 0.477 42 K N 2.235 122.625 120.400 -0.016 0.000 2.081 42 K HA -0.281 4.039 4.320 -0.000 0.000 0.222 42 K C 1.656 178.281 176.600 0.042 0.000 1.055 42 K CA 3.316 59.591 56.287 -0.020 0.000 0.954 42 K CB -1.791 30.677 32.500 -0.054 0.000 0.732 42 K HN 0.708 nan 8.250 nan 0.000 0.458 43 L N -0.727 120.515 121.223 0.033 0.000 1.929 43 L HA -0.237 4.103 4.340 -0.000 0.000 0.229 43 L C 2.119 179.043 176.870 0.091 0.000 1.086 43 L CA 1.932 56.806 54.840 0.058 0.000 0.798 43 L CB -1.625 40.456 42.059 0.036 0.000 0.898 43 L HN 0.099 nan 8.230 nan 0.000 0.436 44 V N 0.245 120.193 119.914 0.056 0.000 2.408 44 V HA -0.469 3.651 4.120 -0.000 0.000 0.234 44 V C 2.300 178.437 176.094 0.072 0.000 1.047 44 V CA 2.858 65.184 62.300 0.043 0.000 1.096 44 V CB -1.374 30.475 31.823 0.044 0.000 0.917 44 V HN 0.632 nan 8.190 nan 0.000 0.479 45 F N 1.296 121.228 119.950 -0.031 0.000 2.053 45 F HA -0.353 4.174 4.527 -0.000 0.000 0.295 45 F C 2.471 178.258 175.800 -0.022 0.000 1.102 45 F CA 2.523 60.508 58.000 -0.025 0.000 1.225 45 F CB -0.769 38.218 39.000 -0.021 0.000 0.961 45 F HN 0.236 nan 8.300 nan 0.000 0.495 46 S N 0.927 116.675 115.700 0.080 0.000 2.377 46 S HA -0.271 4.199 4.470 -0.000 0.000 0.224 46 S C 1.721 176.259 174.600 -0.104 0.000 1.042 46 S CA 1.539 59.721 58.200 -0.030 0.000 1.086 46 S CB -1.128 62.106 63.200 0.056 0.000 0.995 46 S HN 0.474 nan 8.310 nan 0.000 0.428 47 L N 2.084 123.268 121.223 -0.064 0.000 1.924 47 L HA -0.225 4.115 4.340 -0.000 0.000 0.222 47 L C 2.658 179.462 176.870 -0.110 0.000 1.081 47 L CA 2.926 57.714 54.840 -0.086 0.000 0.780 47 L CB -1.797 40.209 42.059 -0.088 0.000 0.891 47 L HN 0.590 nan 8.230 nan 0.000 0.434 48 T N -1.843 112.648 114.554 -0.105 0.000 2.731 48 T HA -0.383 3.967 4.350 -0.000 0.000 0.263 48 T C 1.683 176.292 174.700 -0.152 0.000 1.033 48 T CA 2.260 64.294 62.100 -0.109 0.000 1.160 48 T CB -1.550 67.258 68.868 -0.100 0.000 0.849 48 T HN 0.623 nan 8.240 nan 0.000 0.469 49 A N 2.739 125.406 122.820 -0.255 0.000 1.823 49 A HA -0.028 4.292 4.320 -0.000 0.000 0.214 49 A C 2.265 179.748 177.584 -0.169 0.000 1.227 49 A CA 2.018 53.870 52.037 -0.308 0.000 0.616 49 A CB -1.016 17.691 19.000 -0.488 0.000 0.874 49 A HN 0.385 nan 8.150 nan 0.000 0.455 50 K N 0.073 120.388 120.400 -0.141 0.000 2.137 50 K HA -0.254 4.066 4.320 -0.000 0.000 0.216 50 K C 1.772 178.331 176.600 -0.069 0.000 1.052 50 K CA 2.257 58.490 56.287 -0.090 0.000 0.939 50 K CB -1.048 31.404 32.500 -0.080 0.000 0.724 50 K HN 0.611 nan 8.250 nan 0.000 0.465 51 I N 0.972 121.503 120.570 -0.065 0.000 2.077 51 I HA -0.413 3.757 4.170 -0.000 0.000 0.231 51 I C 2.480 178.596 176.117 -0.001 0.000 1.011 51 I CA 1.783 63.072 61.300 -0.018 0.000 1.304 51 I CB -0.505 37.497 38.000 0.003 0.000 1.019 51 I HN 0.187 nan 8.210 nan 0.000 0.388 52 K N 0.634 121.022 120.400 -0.020 0.000 2.013 52 K HA -0.286 4.034 4.320 -0.000 0.000 0.225 52 K C 1.850 178.444 176.600 -0.010 0.000 1.056 52 K CA 2.030 58.306 56.287 -0.018 0.000 0.971 52 K CB -0.774 31.692 32.500 -0.056 0.000 0.731 52 K HN 0.276 nan 8.250 nan 0.000 0.450 53 E N 0.276 120.455 120.200 -0.036 0.000 2.351 53 E HA -0.276 4.074 4.350 -0.000 0.000 0.249 53 E C 2.014 178.619 176.600 0.008 0.000 1.062 53 E CA 2.283 58.669 56.400 -0.023 0.000 1.066 53 E CB -0.335 29.343 29.700 -0.038 0.000 0.955 53 E HN 0.274 nan 8.360 nan 0.000 0.504 54 R N -0.422 120.084 120.500 0.010 0.000 2.196 54 R HA -0.249 4.091 4.340 -0.000 0.000 0.234 54 R C 2.317 178.680 176.300 0.104 0.000 1.113 54 R CA 1.969 58.094 56.100 0.042 0.000 0.899 54 R CB -1.021 29.282 30.300 0.005 0.000 0.863 54 R HN 0.161 nan 8.270 nan 0.000 0.430 55 L N 1.011 122.309 121.223 0.125 0.000 2.107 55 L HA -0.312 4.028 4.340 -0.000 0.000 0.242 55 L C 1.163 178.105 176.870 0.119 0.000 1.115 55 L CA 1.913 56.846 54.840 0.155 0.000 0.842 55 L CB -1.726 40.385 42.059 0.087 0.000 0.941 55 L HN 0.416 nan 8.230 nan 0.000 0.448 56 N N 1.336 120.077 118.700 0.068 0.000 2.747 56 N HA -0.026 4.713 4.740 -0.000 0.000 0.252 56 N C 0.482 176.023 175.510 0.052 0.000 1.352 56 N CA 0.469 53.548 53.050 0.048 0.000 0.960 56 N CB -0.073 38.430 38.487 0.026 0.000 1.303 56 N HN 0.553 nan 8.380 nan 0.000 0.518 57 K N -0.312 120.135 120.400 0.079 0.000 2.664 57 K HA 0.155 4.474 4.320 -0.000 0.000 0.151 57 K C -0.592 176.082 176.600 0.123 0.000 1.259 57 K CA -0.050 56.283 56.287 0.078 0.000 1.140 57 K CB 0.735 33.272 32.500 0.061 0.000 1.054 57 K HN 0.081 nan 8.250 nan 0.000 0.463 58 E N 0.634 120.934 120.200 0.167 0.000 2.402 58 E HA 0.346 4.696 4.350 -0.000 0.000 0.270 58 E C -1.938 174.745 176.600 0.138 0.000 1.131 58 E CA -1.148 55.406 56.400 0.256 0.000 0.884 58 E CB 1.441 31.478 29.700 0.561 0.000 1.564 58 E HN -0.045 nan 8.360 nan 0.000 0.456 59 K N 0.241 120.574 120.400 -0.111 0.000 2.639 59 K HA 0.292 4.611 4.320 -0.000 0.000 0.279 59 K C -3.274 172.316 176.600 -1.682 0.000 0.976 59 K CA -1.692 54.160 56.287 -0.724 0.000 0.861 59 K CB 1.426 33.711 32.500 -0.360 0.000 1.436 59 K HN 0.253 nan 8.250 nan 0.000 0.400 60 P HA 0.160 nan 4.420 nan 0.000 0.271 60 P C -2.331 174.660 177.300 -0.515 0.000 1.226 60 P CA -0.865 61.417 63.100 -1.363 0.000 0.765 60 P CB -0.079 31.156 31.700 -0.775 0.000 0.835 61 P HA -0.106 nan 4.420 nan 0.000 0.263 61 P C 0.396 177.589 177.300 -0.179 0.000 1.168 61 P CA 0.607 63.640 63.100 -0.110 0.000 0.759 61 P CB 0.362 32.062 31.700 -0.000 0.000 0.782 62 S N 1.607 117.199 115.700 -0.180 0.000 2.822 62 S HA -0.040 4.430 4.470 -0.000 0.000 0.251 62 S C 0.556 174.842 174.600 -0.523 0.000 1.441 62 S CA 0.483 58.520 58.200 -0.272 0.000 0.983 62 S CB -0.426 62.712 63.200 -0.102 0.000 0.910 62 S HN 0.527 nan 8.310 nan 0.000 0.557 63 V N -0.532 118.551 119.914 -1.385 0.000 5.961 63 V HA -0.183 3.937 4.120 -0.000 0.000 0.311 63 V C -0.491 175.346 176.094 -0.428 0.000 0.552 63 V CA 0.933 62.578 62.300 -1.093 0.000 0.641 63 V CB -2.139 29.412 31.823 -0.454 0.000 0.286 63 V HN 0.655 nan 8.190 nan 0.000 0.939 64 L N 0.120 121.147 121.223 -0.328 0.000 4.057 64 L HA 0.407 4.747 4.340 -0.000 0.000 0.264 64 L C -0.043 176.789 176.870 -0.063 0.000 1.024 64 L CA -0.462 54.308 54.840 -0.117 0.000 1.268 64 L CB 1.187 43.209 42.059 -0.061 0.000 2.019 64 L HN 0.346 nan 8.230 nan 0.000 0.637 65 E N 3.593 123.785 120.200 -0.013 0.000 2.765 65 E HA -0.067 4.283 4.350 -0.000 0.000 0.256 65 E C 0.833 177.457 176.600 0.041 0.000 0.935 65 E CA 0.304 56.702 56.400 -0.004 0.000 0.954 65 E CB 0.239 29.952 29.700 0.021 0.000 0.908 65 E HN 0.507 nan 8.360 nan 0.000 0.500 66 R N 3.769 124.255 120.500 -0.024 0.000 2.113 66 R HA -0.204 4.136 4.340 -0.000 0.000 0.231 66 R C 1.695 178.213 176.300 0.364 0.000 1.129 66 R CA 1.532 57.663 56.100 0.051 0.000 0.915 66 R CB -0.495 29.767 30.300 -0.064 0.000 0.837 66 R HN 0.435 nan 8.270 nan 0.000 0.430 67 K N 0.717 121.360 120.400 0.405 0.000 2.091 67 K HA -0.334 3.986 4.320 -0.000 0.000 0.225 67 K C 2.018 179.083 176.600 0.774 0.000 1.028 67 K CA 2.462 59.237 56.287 0.813 0.000 0.965 67 K CB -0.377 32.423 32.500 0.500 0.000 0.786 67 K HN 0.386 nan 8.250 nan 0.000 0.459 68 E N -0.131 120.363 120.200 0.491 0.000 2.002 68 E HA -0.277 4.073 4.350 -0.000 0.000 0.213 68 E C 1.686 178.488 176.600 0.338 0.000 1.024 68 E CA 1.627 58.223 56.400 0.327 0.000 0.876 68 E CB -0.682 29.153 29.700 0.225 0.000 0.799 68 E HN 0.540 nan 8.360 nan 0.000 0.497 69 W N 2.381 123.762 121.300 0.135 0.000 2.262 69 W HA -0.398 4.262 4.660 -0.000 0.000 0.349 69 W C 1.922 178.535 176.519 0.155 0.000 1.437 69 W CA 2.198 59.613 57.345 0.116 0.000 1.392 69 W CB -1.349 28.179 29.460 0.114 0.000 1.078 69 W HN 0.228 nan 8.180 nan 0.000 0.470 70 F N 1.991 122.170 119.950 0.382 0.000 2.068 70 F HA -0.395 4.131 4.527 -0.000 0.000 0.289 70 F C 2.268 177.977 175.800 -0.151 0.000 1.089 70 F CA 3.016 61.082 58.000 0.111 0.000 1.263 70 F CB -1.463 37.624 39.000 0.145 0.000 0.955 70 F HN -0.054 nan 8.300 nan 0.000 0.501 71 I N 1.199 121.595 120.570 -0.289 0.000 2.039 71 I HA -0.360 3.810 4.170 -0.000 0.000 0.233 71 I C 2.911 178.884 176.117 -0.240 0.000 1.040 71 I CA 2.080 63.110 61.300 -0.449 0.000 1.308 71 I CB -2.151 35.643 38.000 -0.343 0.000 1.035 71 I HN 0.421 nan 8.210 nan 0.000 0.392 72 S N 1.937 117.559 115.700 -0.130 0.000 2.429 72 S HA -0.277 4.192 4.470 -0.000 0.000 0.251 72 S C 1.954 176.415 174.600 -0.231 0.000 1.104 72 S CA 2.185 60.323 58.200 -0.103 0.000 1.130 72 S CB -1.163 61.950 63.200 -0.145 0.000 1.000 72 S HN 0.365 nan 8.310 nan 0.000 0.449 73 I N 3.397 123.763 120.570 -0.339 0.000 2.113 73 I HA -0.102 4.068 4.170 -0.000 0.000 0.238 73 I C 2.932 178.905 176.117 -0.240 0.000 1.070 73 I CA 1.451 62.547 61.300 -0.341 0.000 1.332 73 I CB -2.430 35.356 38.000 -0.357 0.000 1.044 73 I HN 0.522 nan 8.210 nan 0.000 0.402 74 V N 1.137 120.896 119.914 -0.259 0.000 2.217 74 V HA -0.400 3.720 4.120 -0.000 0.000 0.248 74 V C 2.585 178.604 176.094 -0.126 0.000 1.050 74 V CA 2.210 64.371 62.300 -0.231 0.000 1.007 74 V CB -1.748 29.797 31.823 -0.462 0.000 0.639 74 V HN 0.497 nan 8.190 nan 0.000 0.452 75 Y N 1.630 121.771 120.300 -0.265 0.000 1.967 75 Y HA -0.425 4.125 4.550 -0.000 0.000 0.260 75 Y C 2.668 178.464 175.900 -0.172 0.000 1.181 75 Y CA 2.349 60.324 58.100 -0.208 0.000 1.097 75 Y CB -0.820 37.522 38.460 -0.197 0.000 0.934 75 Y HN 0.549 nan 8.280 nan 0.000 0.492 76 D N 0.304 120.401 120.400 -0.505 0.000 2.723 76 D HA -0.323 4.317 4.640 -0.000 0.000 0.208 76 D C 1.811 177.884 176.300 -0.379 0.000 1.050 76 D CA 2.511 56.151 54.000 -0.601 0.000 0.893 76 D CB -0.401 40.167 40.800 -0.387 0.000 1.062 76 D HN 0.497 nan 8.370 nan 0.000 0.478 77 E N -0.109 119.948 120.200 -0.237 0.000 2.268 77 E HA -0.039 4.311 4.350 -0.000 0.000 0.195 77 E C 2.212 178.717 176.600 -0.158 0.000 0.995 77 E CA 0.106 56.403 56.400 -0.171 0.000 0.836 77 E CB -0.305 29.311 29.700 -0.140 0.000 0.763 77 E HN 0.479 nan 8.360 nan 0.000 0.491 78 L N -0.142 120.999 121.223 -0.137 0.000 2.012 78 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 78 L C 2.183 178.988 176.870 -0.108 0.000 1.073 78 L CA 1.239 55.978 54.840 -0.169 0.000 0.748 78 L CB -0.905 41.128 42.059 -0.044 0.000 0.891 78 L HN 0.069 nan 8.230 nan 0.000 0.431 79 S N 0.439 116.137 115.700 -0.003 0.000 2.482 79 S HA -0.282 4.188 4.470 -0.000 0.000 0.226 79 S C 1.858 176.490 174.600 0.053 0.000 1.048 79 S CA 1.551 59.790 58.200 0.066 0.000 1.158 79 S CB -0.494 62.657 63.200 -0.082 0.000 1.130 79 S HN 0.285 nan 8.310 nan 0.000 0.413 80 K N 0.661 121.045 120.400 -0.026 0.000 2.097 80 K HA -0.252 4.067 4.320 -0.000 0.000 0.214 80 K C 2.184 178.791 176.600 0.012 0.000 1.052 80 K CA 1.770 58.052 56.287 -0.008 0.000 0.932 80 K CB -0.759 31.709 32.500 -0.053 0.000 0.716 80 K HN 0.346 nan 8.250 nan 0.000 0.455 81 L N 0.321 121.500 121.223 -0.073 0.000 1.997 81 L HA -0.182 4.158 4.340 -0.000 0.000 0.216 81 L C 1.150 178.029 176.870 0.015 0.000 1.074 81 L CA 1.895 56.652 54.840 -0.137 0.000 0.763 81 L CB -0.635 41.193 42.059 -0.385 0.000 0.890 81 L HN -0.062 nan 8.230 nan 0.000 0.434 82 F N 0.291 120.307 119.950 0.110 0.000 2.317 82 F HA 0.517 5.044 4.527 -0.000 0.000 0.266 82 F C 1.835 177.725 175.800 0.151 0.000 0.913 82 F CA -1.123 56.965 58.000 0.147 0.000 1.117 82 F CB -1.213 37.931 39.000 0.240 0.000 1.980 82 F HN -0.097 nan 8.300 nan 0.000 0.600 83 G N 0.730 109.822 108.800 0.488 0.000 2.729 83 G HA2 0.268 4.227 3.960 -0.000 0.000 0.275 83 G HA3 0.268 4.227 3.960 -0.000 0.000 0.275 83 G C 1.074 176.135 174.900 0.268 0.000 0.677 83 G CA 0.400 45.725 45.100 0.375 0.000 2.102 83 G HN 0.886 nan 8.290 nan 0.000 0.567 84 G N 1.273 110.182 108.800 0.182 0.000 4.033 84 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.243 84 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.243 84 G C 0.222 175.161 174.900 0.065 0.000 0.867 84 G CA 1.155 46.312 45.100 0.095 0.000 0.718 84 G HN 0.519 nan 8.290 nan 0.000 1.461 85 D N -1.209 119.216 120.400 0.042 0.000 2.738 85 D HA 0.515 5.155 4.640 -0.000 0.000 0.218 85 D C -1.051 175.258 176.300 0.015 0.000 1.345 85 D CA -0.363 53.647 54.000 0.015 0.000 0.943 85 D CB 1.579 42.371 40.800 -0.013 0.000 1.514 85 D HN 0.266 nan 8.370 nan 0.000 0.585 86 K N 2.459 122.865 120.400 0.011 0.000 2.578 86 K HA 0.130 4.450 4.320 -0.000 0.000 0.263 86 K C -1.513 175.083 176.600 -0.007 0.000 0.973 86 K CA -0.454 55.839 56.287 0.011 0.000 0.909 86 K CB 1.652 34.170 32.500 0.031 0.000 1.326 86 K HN 0.268 nan 8.250 nan 0.000 0.440 87 E N 5.906 126.096 120.200 -0.018 0.000 1.941 87 E HA 0.246 4.596 4.350 -0.000 0.000 0.275 87 E C -2.133 174.454 176.600 -0.022 0.000 1.113 87 E CA -2.083 54.293 56.400 -0.039 0.000 0.878 87 E CB 0.475 30.155 29.700 -0.033 0.000 1.070 87 E HN 0.250 nan 8.360 nan 0.000 0.399 88 P HA -0.130 nan 4.420 nan 0.000 0.263 88 P C -0.823 176.472 177.300 -0.010 0.000 1.162 88 P CA 0.407 63.498 63.100 -0.016 0.000 0.758 88 P CB 0.362 32.044 31.700 -0.031 0.000 0.773 89 N N 2.626 121.329 118.700 0.005 0.000 2.955 89 N HA 0.110 4.850 4.740 -0.000 0.000 0.242 89 N C 1.010 176.540 175.510 0.033 0.000 1.123 89 N CA -0.416 52.648 53.050 0.023 0.000 0.949 89 N CB 0.885 39.388 38.487 0.026 0.000 1.214 89 N HN 0.254 nan 8.380 nan 0.000 0.504 90 V N -1.594 118.364 119.914 0.074 0.000 3.573 90 V HA 0.175 4.295 4.120 -0.000 0.000 0.270 90 V C 0.278 176.481 176.094 0.181 0.000 1.221 90 V CA 0.285 62.687 62.300 0.170 0.000 1.163 90 V CB -0.751 31.284 31.823 0.353 0.000 0.847 90 V HN 0.135 nan 8.190 nan 0.000 0.468 91 N N 1.654 120.398 118.700 0.073 0.000 2.476 91 N HA 0.495 5.234 4.740 -0.000 0.000 0.276 91 N C -2.711 172.655 175.510 -0.240 0.000 1.204 91 N CA -1.557 51.471 53.050 -0.038 0.000 0.974 91 N CB 0.076 38.583 38.487 0.034 0.000 1.204 91 N HN 0.172 nan 8.380 nan 0.000 0.543 92 P HA -0.082 nan 4.420 nan 0.000 0.257 92 P C -0.137 177.103 177.300 -0.100 0.000 1.153 92 P CA 0.492 63.353 63.100 -0.399 0.000 0.762 92 P CB 0.411 31.929 31.700 -0.303 0.000 0.743 93 T N 2.103 116.734 114.554 0.129 0.000 2.976 93 T HA -0.008 4.342 4.350 -0.000 0.000 0.257 93 T C 0.895 175.738 174.700 0.238 0.000 1.051 93 T CA 0.918 63.182 62.100 0.273 0.000 1.141 93 T CB 0.042 69.200 68.868 0.485 0.000 0.881 93 T HN 0.624 nan 8.240 nan 0.000 0.461 94 K N -0.214 120.417 120.400 0.385 0.000 2.522 94 K HA 0.523 4.843 4.320 -0.000 0.000 0.270 94 K C -2.303 174.471 176.600 0.291 0.000 0.926 94 K CA -0.737 55.673 56.287 0.205 0.000 0.730 94 K CB 0.685 33.239 32.500 0.091 0.000 1.418 94 K HN 0.040 nan 8.250 nan 0.000 0.337 95 L N 0.759 122.077 121.223 0.158 0.000 2.506 95 L HA 0.512 4.852 4.340 -0.000 0.000 0.257 95 L C -2.242 174.668 176.870 0.067 0.000 0.964 95 L CA -1.051 53.884 54.840 0.158 0.000 0.836 95 L CB 1.478 43.589 42.059 0.087 0.000 1.384 95 L HN 0.752 nan 8.230 nan 0.000 0.410 96 P HA 0.460 nan 4.420 nan 0.000 0.342 96 P C -1.183 176.221 177.300 0.174 0.000 1.369 96 P CA 0.060 63.227 63.100 0.112 0.000 0.800 96 P CB 0.858 32.604 31.700 0.077 0.000 1.884 97 F N -2.501 117.410 119.950 -0.066 0.000 2.662 97 F HA 0.458 4.985 4.527 -0.000 0.000 0.312 97 F C -0.502 175.258 175.800 -0.066 0.000 1.113 97 F CA -0.764 57.190 58.000 -0.077 0.000 0.951 97 F CB 1.544 40.471 39.000 -0.121 0.000 1.344 97 F HN -0.025 nan 8.300 nan 0.000 0.462 98 I N 4.135 124.711 120.570 0.010 0.000 2.428 98 I HA 0.293 4.463 4.170 -0.000 0.000 0.279 98 I C -1.073 175.096 176.117 0.086 0.000 1.040 98 I CA -0.480 60.819 61.300 -0.002 0.000 1.171 98 I CB 0.980 38.904 38.000 -0.126 0.000 1.312 98 I HN 0.226 nan 8.210 nan 0.000 0.470 99 I N 6.288 126.908 120.570 0.084 0.000 2.269 99 I HA 0.211 4.380 4.170 -0.000 0.000 0.293 99 I C 0.266 176.409 176.117 0.044 0.000 1.106 99 I CA -0.260 61.092 61.300 0.087 0.000 1.248 99 I CB 0.836 38.882 38.000 0.077 0.000 1.444 99 I HN 0.553 nan 8.210 nan 0.000 0.497 100 M N 6.835 126.458 119.600 0.038 0.000 2.156 100 M HA 0.241 4.721 4.480 -0.000 0.000 0.345 100 M C -1.150 175.168 176.300 0.029 0.000 1.398 100 M CA -0.081 55.228 55.300 0.015 0.000 1.148 100 M CB 0.278 32.878 32.600 -0.001 0.000 1.663 100 M HN 0.248 nan 8.290 nan 0.000 0.464 101 L N 8.351 129.581 121.223 0.012 0.000 2.321 101 L HA 0.359 4.699 4.340 -0.000 0.000 0.272 101 L C -0.727 176.126 176.870 -0.030 0.000 1.050 101 L CA -0.431 54.412 54.840 0.006 0.000 0.893 101 L CB 0.866 42.933 42.059 0.014 0.000 1.272 101 L HN 0.609 nan 8.230 nan 0.000 0.435 102 V N 1.853 121.729 119.914 -0.063 0.000 2.432 102 V HA 0.870 4.990 4.120 -0.000 0.000 0.271 102 V C 0.477 176.494 176.094 -0.127 0.000 1.046 102 V CA -0.398 61.832 62.300 -0.117 0.000 0.945 102 V CB 0.765 32.465 31.823 -0.205 0.000 0.992 102 V HN 0.740 nan 8.190 nan 0.000 0.471 103 G N 3.530 112.256 108.800 -0.124 0.000 2.542 103 G HA2 0.617 4.577 3.960 -0.000 0.000 0.311 103 G HA3 0.617 4.577 3.960 -0.000 0.000 0.311 103 G C -0.085 174.701 174.900 -0.190 0.000 1.298 103 G CA -0.141 44.880 45.100 -0.132 0.000 0.973 103 G HN 1.382 nan 8.290 nan 0.000 0.487 104 V N -0.125 119.638 119.914 -0.253 0.000 4.245 104 V HA 0.209 4.329 4.120 -0.000 0.000 0.242 104 V C 1.181 177.092 176.094 -0.306 0.000 0.851 104 V CA 0.230 62.291 62.300 -0.398 0.000 0.871 104 V CB -0.376 30.990 31.823 -0.761 0.000 1.057 104 V HN 0.683 nan 8.190 nan 0.000 0.341 105 Q N 0.819 120.423 119.800 -0.328 0.000 2.651 105 Q HA 0.242 4.582 4.340 -0.000 0.000 0.224 105 Q C 0.793 176.727 176.000 -0.111 0.000 1.094 105 Q CA 0.764 56.468 55.803 -0.164 0.000 1.018 105 Q CB 0.388 29.087 28.738 -0.064 0.000 1.292 105 Q HN 1.089 nan 8.270 nan 0.000 0.588 106 G N 0.474 109.237 108.800 -0.062 0.000 2.277 106 G HA2 0.107 4.067 3.960 -0.000 0.000 0.379 106 G HA3 0.107 4.067 3.960 -0.000 0.000 0.379 106 G C -0.853 174.037 174.900 -0.015 0.000 1.354 106 G CA 0.584 45.662 45.100 -0.038 0.000 1.158 106 G HN 0.874 nan 8.290 nan 0.000 0.629 107 S N -2.448 113.249 115.700 -0.005 0.000 3.634 107 S HA 0.274 4.743 4.470 -0.000 0.000 0.830 107 S C 0.982 175.582 174.600 0.000 0.000 0.425 107 S CA 0.888 59.093 58.200 0.008 0.000 1.429 107 S CB -1.308 61.914 63.200 0.037 0.000 0.843 107 S HN 2.754 nan 8.310 nan 0.000 1.111 108 G N 2.216 111.013 108.800 -0.006 0.000 2.396 108 G HA2 -0.445 3.515 3.960 -0.000 0.000 0.242 108 G HA3 -0.445 3.515 3.960 -0.000 0.000 0.242 108 G C 0.913 175.807 174.900 -0.010 0.000 1.069 108 G CA 1.403 46.498 45.100 -0.008 0.000 0.633 108 G HN 1.248 nan 8.290 nan 0.000 0.517 109 K N 0.447 120.838 120.400 -0.016 0.000 2.097 109 K HA -0.312 4.008 4.320 -0.000 0.000 0.217 109 K C 2.447 179.034 176.600 -0.022 0.000 0.806 109 K CA 4.262 60.533 56.287 -0.027 0.000 1.017 109 K CB -1.464 31.017 32.500 -0.032 0.000 0.803 109 K HN 1.054 nan 8.250 nan 0.000 0.628 110 T N -1.511 113.029 114.554 -0.024 0.000 2.634 110 T HA -0.087 4.262 4.350 -0.000 0.000 0.243 110 T C 1.747 176.441 174.700 -0.011 0.000 1.121 110 T CA 3.245 65.331 62.100 -0.023 0.000 1.315 110 T CB -1.393 67.457 68.868 -0.030 0.000 0.944 110 T HN 0.747 nan 8.240 nan 0.000 0.402 111 T N 1.237 115.784 114.554 -0.012 0.000 1.696 111 T HA -0.404 3.946 4.350 -0.000 0.000 0.110 111 T C 2.059 176.756 174.700 -0.004 0.000 1.926 111 T CA 4.769 66.862 62.100 -0.012 0.000 0.857 111 T CB -2.618 66.240 68.868 -0.017 0.000 0.808 111 T HN 1.377 nan 8.240 nan 0.000 0.389 112 T N 2.041 116.592 114.554 -0.005 0.000 1.861 112 T HA -0.424 3.926 4.350 -0.000 0.000 0.138 112 T C 2.211 176.925 174.700 0.023 0.000 1.819 112 T CA 3.893 65.997 62.100 0.006 0.000 0.868 112 T CB -1.859 67.020 68.868 0.018 0.000 0.774 112 T HN 2.053 nan 8.240 nan 0.000 0.416 113 A N 2.827 125.669 122.820 0.036 0.000 1.888 113 A HA -0.177 4.143 4.320 -0.000 0.000 0.249 113 A C 2.871 180.501 177.584 0.076 0.000 2.120 113 A CA 4.209 56.278 52.037 0.055 0.000 0.772 113 A CB -2.106 16.913 19.000 0.032 0.000 0.844 113 A HN 1.803 nan 8.150 nan 0.000 0.525 114 G N -0.717 108.116 108.800 0.055 0.000 2.988 114 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.204 114 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.204 114 G C 1.383 176.380 174.900 0.162 0.000 1.378 114 G CA 1.617 46.763 45.100 0.076 0.000 0.781 114 G HN 0.714 nan 8.290 nan 0.000 0.738 115 K N 0.258 120.714 120.400 0.094 0.000 2.163 115 K HA -0.251 4.069 4.320 -0.000 0.000 0.210 115 K C 2.386 179.225 176.600 0.400 0.000 1.048 115 K CA 1.607 58.053 56.287 0.265 0.000 0.928 115 K CB -0.572 31.946 32.500 0.030 0.000 0.716 115 K HN 0.328 nan 8.250 nan 0.000 0.459 116 L N 1.110 122.436 121.223 0.172 0.000 1.933 116 L HA -0.221 4.119 4.340 -0.000 0.000 0.220 116 L C 2.305 179.376 176.870 0.335 0.000 1.078 116 L CA 2.391 57.332 54.840 0.169 0.000 0.773 116 L CB -1.235 40.905 42.059 0.135 0.000 0.890 116 L HN 0.165 nan 8.230 nan 0.000 0.434 117 A N -0.933 122.039 122.820 0.255 0.000 1.849 117 A HA -0.328 3.992 4.320 -0.000 0.000 0.216 117 A C 2.241 179.940 177.584 0.193 0.000 1.225 117 A CA 2.522 54.685 52.037 0.210 0.000 0.653 117 A CB -1.784 17.294 19.000 0.131 0.000 0.844 117 A HN 0.853 nan 8.150 nan 0.000 0.453 118 Y N 0.100 120.448 120.300 0.080 0.000 2.130 118 Y HA -0.435 4.115 4.550 -0.000 0.000 0.245 118 Y C 1.925 177.864 175.900 0.066 0.000 1.287 118 Y CA 3.000 61.136 58.100 0.059 0.000 1.047 118 Y CB -1.367 37.122 38.460 0.048 0.000 0.849 118 Y HN 0.464 nan 8.280 nan 0.000 0.517 119 F N 0.089 119.740 119.950 -0.498 0.000 2.043 119 F HA -0.331 4.196 4.527 -0.000 0.000 0.297 119 F C 2.023 177.553 175.800 -0.450 0.000 1.118 119 F CA 2.234 59.821 58.000 -0.689 0.000 1.202 119 F CB -1.576 37.154 39.000 -0.450 0.000 0.965 119 F HN 0.253 nan 8.300 nan 0.000 0.482 120 Y N 0.589 120.299 120.300 -0.983 0.000 2.403 120 Y HA -0.183 4.367 4.550 -0.000 0.000 0.291 120 Y C 2.646 178.333 175.900 -0.356 0.000 1.143 120 Y CA 1.594 59.167 58.100 -0.877 0.000 1.257 120 Y CB -0.469 37.680 38.460 -0.518 0.000 0.984 120 Y HN 0.217 nan 8.280 nan 0.000 0.550 121 K N 1.255 121.571 120.400 -0.140 0.000 2.062 121 K HA -0.154 4.166 4.320 -0.000 0.000 0.205 121 K C 1.205 177.700 176.600 -0.175 0.000 1.051 121 K CA 1.121 57.349 56.287 -0.097 0.000 0.941 121 K CB -0.114 32.346 32.500 -0.067 0.000 0.719 121 K HN 0.087 nan 8.250 nan 0.000 0.440 122 K N 0.885 121.126 120.400 -0.266 0.000 2.968 122 K HA 0.056 4.376 4.320 -0.000 0.000 0.249 122 K C 0.332 176.803 176.600 -0.214 0.000 1.062 122 K CA -0.043 56.105 56.287 -0.232 0.000 1.215 122 K CB 0.292 32.622 32.500 -0.283 0.000 1.097 122 K HN 0.083 nan 8.250 nan 0.000 0.462 123 R N -1.503 118.878 120.500 -0.198 0.000 2.612 123 R HA 0.114 4.454 4.340 -0.000 0.000 0.260 123 R C 0.417 176.552 176.300 -0.276 0.000 0.943 123 R CA 0.598 56.642 56.100 -0.093 0.000 1.036 123 R CB 1.114 31.410 30.300 -0.006 0.000 1.520 123 R HN 0.303 nan 8.270 nan 0.000 0.563 124 G N 1.579 110.131 108.800 -0.412 0.000 2.467 124 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.242 124 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.242 124 G C -0.796 173.419 174.900 -1.141 0.000 1.127 124 G CA -0.271 44.424 45.100 -0.676 0.000 0.924 124 G HN 0.196 nan 8.290 nan 0.000 0.499 125 Y N -1.130 119.130 120.300 -0.067 0.000 2.553 125 Y HA 0.599 5.149 4.550 -0.000 0.000 0.347 125 Y C 0.270 176.144 175.900 -0.044 0.000 1.019 125 Y CA -1.546 56.520 58.100 -0.056 0.000 1.032 125 Y CB 1.362 39.774 38.460 -0.081 0.000 1.284 125 Y HN -0.028 nan 8.280 nan 0.000 0.466 126 K N 2.980 123.462 120.400 0.137 0.000 2.166 126 K HA 0.180 4.500 4.320 -0.000 0.000 0.273 126 K C 0.608 177.247 176.600 0.065 0.000 1.095 126 K CA -0.062 56.274 56.287 0.082 0.000 0.985 126 K CB -0.761 31.790 32.500 0.085 0.000 1.172 126 K HN 0.633 nan 8.250 nan 0.000 0.401 127 V N 0.340 120.278 119.914 0.039 0.000 3.254 127 V HA 0.485 4.604 4.120 -0.000 0.000 0.163 127 V C 0.801 176.856 176.094 -0.066 0.000 0.803 127 V CA 0.179 62.474 62.300 -0.008 0.000 1.254 127 V CB -1.070 30.756 31.823 0.005 0.000 0.935 127 V HN 0.812 nan 8.190 nan 0.000 0.363 128 G N -0.564 108.159 108.800 -0.128 0.000 2.760 128 G HA2 0.408 4.367 3.960 -0.000 0.000 0.540 128 G HA3 0.408 4.367 3.960 -0.000 0.000 0.540 128 G C -1.636 173.015 174.900 -0.415 0.000 1.476 128 G CA -0.358 44.537 45.100 -0.340 0.000 0.949 128 G HN 0.975 nan 8.290 nan 0.000 0.633 129 L N 0.843 121.875 121.223 -0.318 0.000 2.303 129 L HA 0.971 5.311 4.340 -0.000 0.000 0.256 129 L C 0.098 176.908 176.870 -0.100 0.000 1.034 129 L CA -1.374 53.352 54.840 -0.190 0.000 0.832 129 L CB 2.248 44.273 42.059 -0.058 0.000 1.403 129 L HN 0.642 nan 8.230 nan 0.000 0.419 130 V N -0.185 119.703 119.914 -0.042 0.000 2.891 130 V HA 0.640 4.760 4.120 -0.000 0.000 0.304 130 V C -0.441 175.621 176.094 -0.052 0.000 1.171 130 V CA -1.018 61.292 62.300 0.016 0.000 0.943 130 V CB 1.987 33.870 31.823 0.100 0.000 1.037 130 V HN 0.853 nan 8.190 nan 0.000 0.427 131 A N 3.016 125.769 122.820 -0.112 0.000 2.655 131 A HA 0.584 4.904 4.320 -0.000 0.000 0.297 131 A C 0.885 178.361 177.584 -0.180 0.000 1.461 131 A CA 0.526 52.434 52.037 -0.215 0.000 1.146 131 A CB -0.235 18.487 19.000 -0.463 0.000 1.108 131 A HN 1.504 nan 8.150 nan 0.000 0.550 132 A N 3.332 126.087 122.820 -0.109 0.000 3.258 132 A HA 0.478 4.798 4.320 -0.000 0.000 0.275 132 A C -0.183 177.374 177.584 -0.046 0.000 1.452 132 A CA -0.282 51.717 52.037 -0.064 0.000 1.120 132 A CB -0.080 18.904 19.000 -0.027 0.000 1.107 132 A HN 0.663 nan 8.150 nan 0.000 0.651 133 D N 0.429 120.778 120.400 -0.084 0.000 2.861 133 D HA 0.306 4.946 4.640 -0.000 0.000 0.216 133 D C -1.012 175.248 176.300 -0.066 0.000 1.323 133 D CA -0.110 53.885 54.000 -0.008 0.000 0.917 133 D CB 2.170 42.964 40.800 -0.009 0.000 1.582 133 D HN 0.303 nan 8.370 nan 0.000 0.576 134 V N 0.794 120.663 119.914 -0.075 0.000 2.384 134 V HA 0.465 4.585 4.120 -0.000 0.000 0.257 134 V C -0.831 175.009 176.094 -0.424 0.000 0.969 134 V CA -0.291 61.871 62.300 -0.231 0.000 0.910 134 V CB -0.316 31.338 31.823 -0.282 0.000 1.150 134 V HN 0.570 nan 8.190 nan 0.000 0.481 135 Y N 0.758 121.028 120.300 -0.051 0.000 2.855 135 Y HA 0.442 4.992 4.550 -0.000 0.000 0.251 135 Y C 1.215 177.096 175.900 -0.032 0.000 1.152 135 Y CA -0.575 57.502 58.100 -0.039 0.000 1.201 135 Y CB 0.497 38.930 38.460 -0.044 0.000 1.392 135 Y HN 0.372 nan 8.280 nan 0.000 0.470 136 R N 3.055 123.651 120.500 0.160 0.000 2.346 136 R HA 0.278 4.618 4.340 -0.000 0.000 0.311 136 R C -1.910 174.409 176.300 0.032 0.000 0.983 136 R CA -1.681 54.463 56.100 0.072 0.000 0.880 136 R CB 0.851 31.180 30.300 0.048 0.000 1.100 136 R HN 0.015 nan 8.270 nan 0.000 0.453 137 P HA -0.290 nan 4.420 nan 0.000 0.230 137 P C 0.246 177.569 177.300 0.037 0.000 0.853 137 P CA 1.186 64.309 63.100 0.039 0.000 1.096 137 P CB -0.318 31.406 31.700 0.040 0.000 0.677 138 A N -0.168 122.677 122.820 0.042 0.000 2.009 138 A HA 0.060 4.379 4.320 -0.000 0.000 0.208 138 A C 1.683 179.265 177.584 -0.003 0.000 1.647 138 A CA 1.108 53.176 52.037 0.052 0.000 1.850 138 A CB -1.563 17.459 19.000 0.037 0.000 0.651 138 A HN 0.534 nan 8.150 nan 0.000 0.688 139 A N 0.680 123.430 122.820 -0.117 0.000 2.848 139 A HA 0.079 4.399 4.320 -0.000 0.000 0.181 139 A C 1.543 178.962 177.584 -0.276 0.000 1.005 139 A CA 1.624 53.427 52.037 -0.391 0.000 1.013 139 A CB -1.298 17.104 19.000 -0.998 0.000 0.808 139 A HN 0.851 nan 8.150 nan 0.000 0.570 140 Y N 0.727 121.015 120.300 -0.020 0.000 1.827 140 Y HA -0.250 4.300 4.550 -0.000 0.000 0.201 140 Y C 1.575 177.474 175.900 -0.003 0.000 0.995 140 Y CA 0.879 58.972 58.100 -0.013 0.000 0.948 140 Y CB -2.009 36.440 38.460 -0.017 0.000 0.858 140 Y HN 0.695 nan 8.280 nan 0.000 0.559 141 D N -0.386 120.225 120.400 0.351 0.000 3.897 141 D HA -0.451 4.189 4.640 -0.000 0.000 0.255 141 D C 1.847 178.206 176.300 0.098 0.000 0.707 141 D CA 2.034 56.137 54.000 0.173 0.000 0.793 141 D CB -1.201 39.701 40.800 0.170 0.000 0.354 141 D HN 0.567 nan 8.370 nan 0.000 0.267 142 Q N 0.271 120.109 119.800 0.065 0.000 2.208 142 Q HA -0.373 3.967 4.340 -0.000 0.000 0.219 142 Q C 2.175 178.195 176.000 0.033 0.000 1.027 142 Q CA 3.057 58.882 55.803 0.036 0.000 0.925 142 Q CB -0.384 28.367 28.738 0.021 0.000 1.006 142 Q HN 0.643 nan 8.270 nan 0.000 0.415 143 L N 0.038 121.282 121.223 0.035 0.000 1.961 143 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 143 L C 2.729 179.630 176.870 0.052 0.000 1.075 143 L CA 2.306 57.164 54.840 0.030 0.000 0.749 143 L CB -1.682 40.385 42.059 0.013 0.000 0.890 143 L HN 0.474 nan 8.230 nan 0.000 0.433 144 L N -0.618 120.658 121.223 0.087 0.000 2.272 144 L HA -0.440 3.900 4.340 -0.000 0.000 0.233 144 L C 2.364 179.274 176.870 0.068 0.000 1.125 144 L CA 2.430 57.330 54.840 0.100 0.000 0.851 144 L CB -1.243 40.888 42.059 0.120 0.000 0.933 144 L HN 0.644 nan 8.230 nan 0.000 0.452 145 Q N 0.502 120.333 119.800 0.053 0.000 1.131 145 Q HA -0.295 4.045 4.340 -0.000 0.000 0.728 145 Q C 2.184 178.206 176.000 0.037 0.000 0.949 145 Q CA 2.609 58.434 55.803 0.037 0.000 0.850 145 Q CB -1.236 27.517 28.738 0.025 0.000 0.916 145 Q HN 0.818 nan 8.270 nan 0.000 0.288 146 L N -0.880 120.359 121.223 0.027 0.000 2.244 146 L HA -0.356 3.984 4.340 -0.000 0.000 0.239 146 L C 2.244 179.141 176.870 0.046 0.000 1.131 146 L CA 2.453 57.310 54.840 0.027 0.000 0.854 146 L CB -2.290 39.780 42.059 0.019 0.000 0.951 146 L HN 0.552 nan 8.230 nan 0.000 0.449 147 G N 1.464 110.296 108.800 0.054 0.000 2.816 147 G HA2 -0.468 3.492 3.960 -0.000 0.000 0.229 147 G HA3 -0.468 3.492 3.960 -0.000 0.000 0.229 147 G C 1.331 176.269 174.900 0.063 0.000 1.158 147 G CA 2.045 47.184 45.100 0.065 0.000 0.761 147 G HN 0.805 nan 8.290 nan 0.000 0.636 148 N N 0.081 118.815 118.700 0.056 0.000 2.197 148 N HA -0.081 4.658 4.740 -0.000 0.000 0.184 148 N C 1.973 177.509 175.510 0.044 0.000 1.030 148 N CA 1.390 54.469 53.050 0.050 0.000 0.851 148 N CB -0.899 37.614 38.487 0.044 0.000 1.003 148 N HN 0.415 nan 8.380 nan 0.000 0.430 149 Q N 1.354 121.177 119.800 0.039 0.000 2.632 149 Q HA -0.086 4.254 4.340 -0.000 0.000 0.220 149 Q C 1.380 177.405 176.000 0.041 0.000 0.980 149 Q CA 0.732 56.554 55.803 0.032 0.000 0.934 149 Q CB -0.297 28.455 28.738 0.023 0.000 0.979 149 Q HN 0.830 nan 8.270 nan 0.000 0.557 150 I N -6.323 114.281 120.570 0.056 0.000 4.670 150 I HA 0.408 4.577 4.170 -0.000 0.000 0.339 150 I C 0.846 177.006 176.117 0.073 0.000 1.310 150 I CA 0.387 61.736 61.300 0.082 0.000 1.288 150 I CB 0.800 38.870 38.000 0.116 0.000 1.427 150 I HN 0.008 nan 8.210 nan 0.000 0.494 151 G N 2.120 110.954 108.800 0.056 0.000 2.204 151 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.244 151 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.244 151 G C -0.287 174.643 174.900 0.050 0.000 1.062 151 G CA 0.148 45.275 45.100 0.046 0.000 0.798 151 G HN 0.429 nan 8.290 nan 0.000 0.496 152 V N 1.058 121.007 119.914 0.059 0.000 2.445 152 V HA 0.338 4.457 4.120 -0.000 0.000 0.283 152 V C 0.643 176.780 176.094 0.072 0.000 1.014 152 V CA -0.477 61.860 62.300 0.062 0.000 0.852 152 V CB 1.474 33.334 31.823 0.063 0.000 1.021 152 V HN 0.641 nan 8.190 nan 0.000 0.435 153 Q N 2.690 122.540 119.800 0.083 0.000 2.700 153 Q HA 0.427 4.766 4.340 -0.000 0.000 0.232 153 Q C -0.740 175.336 176.000 0.125 0.000 1.110 153 Q CA 0.407 56.276 55.803 0.110 0.000 1.026 153 Q CB 1.152 29.968 28.738 0.129 0.000 1.311 153 Q HN 0.553 nan 8.270 nan 0.000 0.583 154 V N -0.032 119.987 119.914 0.176 0.000 3.076 154 V HA 0.522 4.642 4.120 -0.000 0.000 0.311 154 V C -1.753 174.559 176.094 0.363 0.000 1.461 154 V CA -0.789 61.632 62.300 0.202 0.000 1.029 154 V CB 1.816 33.718 31.823 0.132 0.000 1.061 154 V HN 0.862 nan 8.190 nan 0.000 0.474 155 Y N -0.772 119.650 120.300 0.203 0.000 2.573 155 Y HA 0.747 5.296 4.550 -0.000 0.000 0.328 155 Y C -0.505 175.535 175.900 0.233 0.000 1.170 155 Y CA 0.144 58.380 58.100 0.227 0.000 1.078 155 Y CB 1.427 40.063 38.460 0.293 0.000 1.341 155 Y HN 1.082 nan 8.280 nan 0.000 0.459 156 G N 2.673 111.110 108.800 -0.605 0.000 2.650 156 G HA2 0.496 4.456 3.960 -0.000 0.000 0.310 156 G HA3 0.496 4.456 3.960 -0.000 0.000 0.310 156 G C -1.920 172.827 174.900 -0.254 0.000 1.270 156 G CA -0.917 43.914 45.100 -0.450 0.000 0.810 156 G HN 0.620 nan 8.290 nan 0.000 0.493 157 E N 0.520 120.810 120.200 0.149 0.000 2.432 157 E HA 0.477 4.827 4.350 -0.000 0.000 0.272 157 E C -2.665 174.013 176.600 0.130 0.000 0.937 157 E CA -1.612 54.829 56.400 0.069 0.000 0.812 157 E CB 2.413 32.131 29.700 0.029 0.000 1.377 157 E HN 0.175 nan 8.360 nan 0.000 0.399 158 P HA -0.179 nan 4.420 nan 0.000 0.264 158 P C -0.179 177.139 177.300 0.031 0.000 1.156 158 P CA 0.615 63.604 63.100 -0.186 0.000 0.756 158 P CB 0.407 31.977 31.700 -0.216 0.000 0.764 159 N N 2.068 120.824 118.700 0.093 0.000 1.276 159 N HA -0.377 4.363 4.740 -0.000 0.000 0.137 159 N C 0.247 175.794 175.510 0.063 0.000 0.642 159 N CA 1.705 54.792 53.050 0.063 0.000 0.986 159 N CB -1.644 36.852 38.487 0.015 0.000 1.277 159 N HN 0.883 nan 8.380 nan 0.000 0.495 160 N N 2.023 120.734 118.700 0.018 0.000 2.536 160 N HA -0.256 4.484 4.740 -0.000 0.000 0.299 160 N C -1.279 174.209 175.510 -0.037 0.000 1.309 160 N CA 0.480 53.529 53.050 -0.001 0.000 0.696 160 N CB -0.465 38.034 38.487 0.020 0.000 0.965 160 N HN 0.361 nan 8.380 nan 0.000 0.530 161 Q N 2.407 122.161 119.800 -0.077 0.000 2.465 161 Q HA 0.265 4.604 4.340 -0.000 0.000 0.237 161 Q C -0.719 175.188 176.000 -0.155 0.000 1.051 161 Q CA -0.427 55.281 55.803 -0.157 0.000 0.874 161 Q CB 0.884 29.511 28.738 -0.185 0.000 1.207 161 Q HN 0.469 nan 8.270 nan 0.000 0.508 162 N N 3.224 121.835 118.700 -0.148 0.000 4.647 162 N HA 0.045 4.785 4.740 -0.000 0.000 0.168 162 N C -2.803 172.665 175.510 -0.069 0.000 1.199 162 N CA -0.590 52.398 53.050 -0.104 0.000 0.960 162 N CB 1.315 39.767 38.487 -0.059 0.000 1.638 162 N HN 0.213 nan 8.380 nan 0.000 0.911 163 P HA 0.151 nan 4.420 nan 0.000 0.309 163 P C 1.392 178.692 177.300 0.000 0.000 1.423 163 P CA 0.262 63.350 63.100 -0.021 0.000 0.814 163 P CB 0.858 32.563 31.700 0.009 0.000 1.900 164 I N -1.790 118.790 120.570 0.016 0.000 4.899 164 I HA -0.501 3.669 4.170 -0.000 0.000 0.039 164 I C 2.234 178.370 176.117 0.031 0.000 0.635 164 I CA 2.216 63.530 61.300 0.023 0.000 0.249 164 I CB -2.157 35.855 38.000 0.019 0.000 0.341 164 I HN 0.355 nan 8.210 nan 0.000 0.151 165 E N 0.603 120.819 120.200 0.028 0.000 2.144 165 E HA -0.362 3.987 4.350 -0.000 0.000 0.243 165 E C 1.816 178.455 176.600 0.065 0.000 1.043 165 E CA 2.489 58.912 56.400 0.038 0.000 0.952 165 E CB -0.438 29.281 29.700 0.031 0.000 0.849 165 E HN 0.598 nan 8.360 nan 0.000 0.522 166 I N 1.187 121.794 120.570 0.063 0.000 2.141 166 I HA -0.405 3.765 4.170 -0.000 0.000 0.243 166 I C 2.141 178.337 176.117 0.132 0.000 1.035 166 I CA 2.289 63.642 61.300 0.088 0.000 1.302 166 I CB -0.705 37.298 38.000 0.005 0.000 1.006 166 I HN 0.307 nan 8.210 nan 0.000 0.413 167 A N 0.018 122.888 122.820 0.083 0.000 1.836 167 A HA -0.335 3.985 4.320 -0.000 0.000 0.215 167 A C 2.319 179.986 177.584 0.138 0.000 1.214 167 A CA 2.690 54.788 52.037 0.101 0.000 0.636 167 A CB -1.213 17.820 19.000 0.055 0.000 0.847 167 A HN 0.494 nan 8.150 nan 0.000 0.451 168 K N 0.131 120.584 120.400 0.089 0.000 2.044 168 K HA -0.267 4.053 4.320 -0.000 0.000 0.224 168 K C 1.832 178.488 176.600 0.094 0.000 1.056 168 K CA 2.549 58.880 56.287 0.073 0.000 0.962 168 K CB -0.574 31.953 32.500 0.045 0.000 0.730 168 K HN 0.555 nan 8.250 nan 0.000 0.453 169 K N -0.717 119.749 120.400 0.109 0.000 1.977 169 K HA -0.220 4.100 4.320 -0.000 0.000 0.231 169 K C 1.982 178.656 176.600 0.123 0.000 1.040 169 K CA 1.858 58.212 56.287 0.113 0.000 1.029 169 K CB -1.230 31.398 32.500 0.215 0.000 0.737 169 K HN 0.429 nan 8.250 nan 0.000 0.446 170 G N 1.145 110.181 108.800 0.393 0.000 3.025 170 G HA2 -0.364 3.595 3.960 -0.000 0.000 0.219 170 G HA3 -0.364 3.595 3.960 -0.000 0.000 0.219 170 G C 1.285 176.367 174.900 0.304 0.000 1.229 170 G CA 2.557 47.964 45.100 0.510 0.000 0.764 170 G HN 0.244 nan 8.290 nan 0.000 0.857 171 V N 1.255 121.550 119.914 0.636 0.000 2.347 171 V HA -0.437 3.683 4.120 -0.000 0.000 0.182 171 V C 2.246 178.485 176.094 0.241 0.000 0.868 171 V CA 3.035 65.611 62.300 0.460 0.000 1.462 171 V CB -1.367 30.570 31.823 0.192 0.000 0.879 171 V HN 0.648 nan 8.190 nan 0.000 0.489 172 D N -0.193 120.242 120.400 0.059 0.000 2.346 172 D HA -0.194 4.446 4.640 -0.000 0.000 0.202 172 D C 1.646 177.840 176.300 -0.177 0.000 1.007 172 D CA 1.895 55.874 54.000 -0.036 0.000 0.923 172 D CB -0.359 40.414 40.800 -0.044 0.000 0.891 172 D HN 0.461 nan 8.370 nan 0.000 0.460 173 I N 0.910 121.217 120.570 -0.440 0.000 2.043 173 I HA -0.275 3.895 4.170 -0.000 0.000 0.223 173 I C 2.371 178.141 176.117 -0.579 0.000 1.026 173 I CA 0.785 61.648 61.300 -0.727 0.000 1.326 173 I CB -1.654 35.489 38.000 -1.428 0.000 1.060 173 I HN -0.051 nan 8.210 nan 0.000 0.386 174 F N 0.716 120.652 119.950 -0.023 0.000 2.082 174 F HA -0.276 4.251 4.527 -0.000 0.000 0.298 174 F C 2.555 178.353 175.800 -0.004 0.000 1.091 174 F CA 1.531 59.529 58.000 -0.004 0.000 1.230 174 F CB -2.036 36.976 39.000 0.020 0.000 0.983 174 F HN -0.042 nan 8.300 nan 0.000 0.485 175 V N 0.740 120.741 119.914 0.145 0.000 2.231 175 V HA -0.382 3.738 4.120 -0.000 0.000 0.248 175 V C 2.506 178.606 176.094 0.009 0.000 1.054 175 V CA 2.513 64.862 62.300 0.081 0.000 1.015 175 V CB -0.989 30.870 31.823 0.061 0.000 0.638 175 V HN 0.369 nan 8.190 nan 0.000 0.444 176 K N 1.984 122.351 120.400 -0.054 0.000 2.113 176 K HA -0.217 4.102 4.320 -0.000 0.000 0.208 176 K C 1.454 178.029 176.600 -0.042 0.000 1.047 176 K CA 2.261 58.510 56.287 -0.062 0.000 0.928 176 K CB -0.694 31.741 32.500 -0.108 0.000 0.716 176 K HN 0.632 nan 8.250 nan 0.000 0.446 177 N N 1.211 119.889 118.700 -0.037 0.000 2.412 177 N HA -0.025 4.715 4.740 -0.000 0.000 0.184 177 N C -0.578 174.949 175.510 0.028 0.000 1.101 177 N CA 0.599 53.645 53.050 -0.007 0.000 0.881 177 N CB 0.122 38.607 38.487 -0.003 0.000 0.969 177 N HN 0.282 nan 8.380 nan 0.000 0.459 178 K N -0.444 119.980 120.400 0.040 0.000 3.162 178 K HA -0.163 4.157 4.320 -0.000 0.000 0.268 178 K C -0.355 176.291 176.600 0.076 0.000 1.062 178 K CA 0.312 56.630 56.287 0.052 0.000 0.769 178 K CB -1.457 31.062 32.500 0.032 0.000 1.274 178 K HN 0.074 nan 8.250 nan 0.000 0.478 179 M N 0.438 120.107 119.600 0.115 0.000 1.801 179 M HA 0.104 4.584 4.480 -0.000 0.000 0.198 179 M C 1.474 177.835 176.300 0.102 0.000 1.248 179 M CA 0.479 55.849 55.300 0.117 0.000 0.893 179 M CB 0.318 33.013 32.600 0.158 0.000 1.199 179 M HN 0.119 nan 8.290 nan 0.000 0.482 180 D N -0.988 119.468 120.400 0.093 0.000 2.597 180 D HA 0.310 4.950 4.640 -0.000 0.000 0.261 180 D C -0.408 175.916 176.300 0.040 0.000 1.023 180 D CA 0.739 54.787 54.000 0.081 0.000 0.927 180 D CB 0.507 41.385 40.800 0.130 0.000 1.168 180 D HN 0.210 nan 8.370 nan 0.000 0.491 181 I N 0.864 121.435 120.570 0.002 0.000 2.571 181 I HA 0.249 4.419 4.170 -0.000 0.000 0.289 181 I C -1.166 174.905 176.117 -0.076 0.000 1.115 181 I CA -0.557 60.713 61.300 -0.049 0.000 1.045 181 I CB 2.461 40.343 38.000 -0.198 0.000 1.238 181 I HN -0.273 nan 8.210 nan 0.000 0.424 182 I N 6.924 127.459 120.570 -0.059 0.000 2.460 182 I HA 0.546 4.716 4.170 -0.000 0.000 0.298 182 I C -0.682 175.392 176.117 -0.072 0.000 0.989 182 I CA -0.454 60.766 61.300 -0.133 0.000 1.173 182 I CB 1.500 39.406 38.000 -0.156 0.000 1.338 182 I HN 0.237 nan 8.210 nan 0.000 0.456 183 I N 6.223 126.737 120.570 -0.092 0.000 2.498 183 I HA 0.589 4.759 4.170 -0.000 0.000 0.290 183 I C -0.913 175.178 176.117 -0.043 0.000 1.032 183 I CA -0.671 60.611 61.300 -0.029 0.000 1.073 183 I CB 1.956 39.957 38.000 0.003 0.000 1.251 183 I HN 0.107 nan 8.210 nan 0.000 0.426 184 V N 3.075 122.979 119.914 -0.016 0.000 2.555 184 V HA 0.324 4.444 4.120 -0.000 0.000 0.283 184 V C -0.844 175.243 176.094 -0.012 0.000 1.020 184 V CA -0.677 61.612 62.300 -0.019 0.000 0.883 184 V CB 1.425 33.240 31.823 -0.012 0.000 1.030 184 V HN 0.765 nan 8.190 nan 0.000 0.448 185 D N 2.918 123.306 120.400 -0.020 0.000 2.389 185 D HA 0.534 5.174 4.640 -0.000 0.000 0.247 185 D C 0.080 176.363 176.300 -0.029 0.000 1.128 185 D CA 0.785 54.771 54.000 -0.023 0.000 0.884 185 D CB 1.670 42.454 40.800 -0.027 0.000 1.194 185 D HN 0.711 nan 8.370 nan 0.000 0.441 186 T N 1.137 115.675 114.554 -0.027 0.000 2.778 186 T HA 0.831 5.181 4.350 -0.000 0.000 0.293 186 T C -1.502 173.175 174.700 -0.037 0.000 1.144 186 T CA 0.206 62.297 62.100 -0.015 0.000 1.010 186 T CB 0.961 69.827 68.868 -0.003 0.000 1.325 186 T HN 0.744 nan 8.240 nan 0.000 0.515 187 A N -0.314 122.493 122.820 -0.022 0.000 2.526 187 A HA 0.843 5.163 4.320 -0.000 0.000 0.306 187 A C -0.472 177.000 177.584 -0.187 0.000 1.088 187 A CA -0.178 51.790 52.037 -0.115 0.000 0.600 187 A CB 0.359 19.270 19.000 -0.147 0.000 1.423 187 A HN 1.758 nan 8.150 nan 0.000 0.582 188 G N -1.300 107.211 108.800 -0.481 0.000 2.632 188 G HA2 0.546 4.506 3.960 -0.000 0.000 0.292 188 G HA3 0.546 4.506 3.960 -0.000 0.000 0.292 188 G C 0.269 174.632 174.900 -0.896 0.000 1.465 188 G CA 0.483 45.024 45.100 -0.933 0.000 0.824 188 G HN 1.277 nan 8.290 nan 0.000 0.509 189 R N -0.552 119.333 120.500 -1.026 0.000 2.288 189 R HA -0.255 4.085 4.340 -0.000 0.000 0.239 189 R C -0.007 176.167 176.300 -0.210 0.000 1.109 189 R CA 2.050 57.884 56.100 -0.443 0.000 0.896 189 R CB -0.492 29.677 30.300 -0.219 0.000 0.967 189 R HN 0.514 nan 8.270 nan 0.000 0.420 190 H N -1.463 117.498 119.070 -0.180 0.000 2.481 190 H HA 0.390 4.946 4.556 -0.000 0.000 0.333 190 H C 0.222 175.463 175.328 -0.145 0.000 1.066 190 H CA -0.145 55.830 56.048 -0.121 0.000 1.209 190 H CB 1.792 31.516 29.762 -0.063 0.000 1.445 190 H HN 0.491 nan 8.280 nan 0.000 0.488 191 G N 1.920 110.690 108.800 -0.049 0.000 2.727 191 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.212 191 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.212 191 G C -0.598 174.221 174.900 -0.134 0.000 2.076 191 G CA -0.247 44.748 45.100 -0.175 0.000 0.744 191 G HN 0.467 nan 8.290 nan 0.000 0.775 192 Y N 1.931 122.199 120.300 -0.053 0.000 2.954 192 Y HA 0.215 4.765 4.550 -0.000 0.000 0.351 192 Y C 1.798 177.660 175.900 -0.062 0.000 1.282 192 Y CA 1.508 59.579 58.100 -0.048 0.000 1.614 192 Y CB -0.140 38.294 38.460 -0.044 0.000 1.183 192 Y HN 0.890 nan 8.280 nan 0.000 0.566 193 G N 2.766 111.638 108.800 0.121 0.000 3.329 193 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.220 193 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.220 193 G C 0.911 175.817 174.900 0.009 0.000 1.358 193 G CA 0.426 45.554 45.100 0.047 0.000 0.856 193 G HN 0.593 nan 8.290 nan 0.000 0.551 194 E N 2.395 122.580 120.200 -0.025 0.000 2.416 194 E HA 0.311 4.660 4.350 -0.000 0.000 0.189 194 E C 1.867 178.457 176.600 -0.016 0.000 1.091 194 E CA 0.673 57.057 56.400 -0.026 0.000 0.889 194 E CB -0.120 29.544 29.700 -0.059 0.000 1.015 194 E HN 0.867 nan 8.360 nan 0.000 0.479 195 E N 0.616 120.808 120.200 -0.014 0.000 2.048 195 E HA -0.307 4.043 4.350 -0.000 0.000 0.202 195 E C 1.415 178.001 176.600 -0.024 0.000 1.021 195 E CA 1.904 58.285 56.400 -0.032 0.000 0.825 195 E CB -1.021 28.685 29.700 0.010 0.000 0.756 195 E HN 0.158 nan 8.360 nan 0.000 0.454 196 T N 1.430 115.984 114.554 -0.000 0.000 2.731 196 T HA -0.264 4.086 4.350 -0.000 0.000 0.263 196 T C 1.589 176.288 174.700 -0.002 0.000 1.033 196 T CA 2.200 64.303 62.100 0.005 0.000 1.160 196 T CB -0.320 68.555 68.868 0.012 0.000 0.849 196 T HN 0.151 nan 8.240 nan 0.000 0.469 197 K N 0.688 121.086 120.400 -0.002 0.000 2.098 197 K HA 0.257 4.576 4.320 -0.000 0.000 0.203 197 K C 2.245 178.827 176.600 -0.030 0.000 1.051 197 K CA 0.349 56.636 56.287 -0.001 0.000 0.957 197 K CB -1.060 31.457 32.500 0.028 0.000 0.738 197 K HN 0.282 nan 8.250 nan 0.000 0.447 198 L N 2.300 123.487 121.223 -0.059 0.000 1.941 198 L HA -0.244 4.096 4.340 -0.000 0.000 0.224 198 L C 2.288 179.103 176.870 -0.092 0.000 1.081 198 L CA 1.752 56.529 54.840 -0.106 0.000 0.784 198 L CB -1.064 40.905 42.059 -0.150 0.000 0.894 198 L HN 0.182 nan 8.230 nan 0.000 0.436 199 L N -1.736 119.431 121.223 -0.092 0.000 2.021 199 L HA -0.273 4.067 4.340 -0.000 0.000 0.215 199 L C 2.455 179.297 176.870 -0.046 0.000 1.074 199 L CA 2.208 56.995 54.840 -0.087 0.000 0.760 199 L CB -1.642 40.382 42.059 -0.059 0.000 0.889 199 L HN 0.533 nan 8.230 nan 0.000 0.433 200 E N 0.597 120.781 120.200 -0.027 0.000 2.169 200 E HA -0.319 4.031 4.350 -0.000 0.000 0.202 200 E C 1.968 178.566 176.600 -0.003 0.000 1.016 200 E CA 2.158 58.552 56.400 -0.009 0.000 0.817 200 E CB -0.059 29.640 29.700 -0.002 0.000 0.736 200 E HN 0.748 nan 8.360 nan 0.000 0.462 201 E N 0.312 120.504 120.200 -0.012 0.000 2.008 201 E HA -0.176 4.173 4.350 -0.000 0.000 0.191 201 E C 2.196 178.802 176.600 0.011 0.000 0.986 201 E CA 1.087 57.490 56.400 0.006 0.000 0.807 201 E CB -0.359 29.338 29.700 -0.004 0.000 0.766 201 E HN 0.326 nan 8.360 nan 0.000 0.450 202 M N 1.886 121.478 119.600 -0.014 0.000 2.252 202 M HA -0.282 4.197 4.480 -0.000 0.000 0.257 202 M C 1.921 178.253 176.300 0.054 0.000 1.077 202 M CA 1.523 56.825 55.300 0.004 0.000 1.066 202 M CB -0.242 32.322 32.600 -0.059 0.000 1.380 202 M HN -0.013 nan 8.290 nan 0.000 0.412 203 K N 0.620 121.035 120.400 0.026 0.000 1.974 203 K HA -0.248 4.071 4.320 -0.000 0.000 0.231 203 K C 1.605 178.254 176.600 0.082 0.000 1.035 203 K CA 2.606 58.912 56.287 0.032 0.000 1.044 203 K CB -0.410 32.099 32.500 0.014 0.000 0.738 203 K HN 0.464 nan 8.250 nan 0.000 0.447 204 E N 0.294 120.531 120.200 0.062 0.000 2.063 204 E HA -0.323 4.027 4.350 -0.000 0.000 0.221 204 E C 2.134 178.789 176.600 0.092 0.000 1.052 204 E CA 2.473 58.914 56.400 0.068 0.000 0.891 204 E CB -0.376 29.352 29.700 0.048 0.000 0.792 204 E HN 0.392 nan 8.360 nan 0.000 0.482 205 M N -0.416 119.228 119.600 0.074 0.000 2.622 205 M HA -0.352 4.127 4.480 -0.000 0.000 0.257 205 M C 2.324 178.680 176.300 0.094 0.000 1.047 205 M CA 2.419 57.760 55.300 0.068 0.000 1.054 205 M CB -1.036 31.598 32.600 0.056 0.000 1.295 205 M HN 0.242 nan 8.290 nan 0.000 0.462 206 Y N 0.955 121.254 120.300 -0.001 0.000 2.090 206 Y HA -0.148 4.401 4.550 -0.000 0.000 0.274 206 Y C 1.380 177.286 175.900 0.010 0.000 1.110 206 Y CA 1.552 59.656 58.100 0.006 0.000 1.092 206 Y CB -0.462 38.004 38.460 0.010 0.000 0.992 206 Y HN 0.158 nan 8.280 nan 0.000 0.479 207 D N 0.621 121.342 120.400 0.535 0.000 2.541 207 D HA 0.106 4.745 4.640 -0.000 0.000 0.231 207 D C 0.519 176.908 176.300 0.148 0.000 1.163 207 D CA 0.995 55.201 54.000 0.345 0.000 1.077 207 D CB -0.253 40.674 40.800 0.213 0.000 1.110 207 D HN 0.411 nan 8.370 nan 0.000 0.499 208 V N 0.544 120.511 119.914 0.089 0.000 3.112 208 V HA -0.019 4.101 4.120 -0.000 0.000 0.233 208 V C 1.513 177.613 176.094 0.009 0.000 1.716 208 V CA -0.306 62.021 62.300 0.044 0.000 1.002 208 V CB -0.460 31.389 31.823 0.043 0.000 0.998 208 V HN 0.328 nan 8.190 nan 0.000 0.423 209 L N 0.436 121.645 121.223 -0.024 0.000 2.116 209 L HA 0.385 4.725 4.340 -0.000 0.000 0.200 209 L C 0.560 177.364 176.870 -0.109 0.000 1.084 209 L CA 1.958 56.758 54.840 -0.066 0.000 0.766 209 L CB 0.110 42.110 42.059 -0.097 0.000 0.930 209 L HN 0.521 nan 8.230 nan 0.000 0.453 210 K N -0.364 119.908 120.400 -0.214 0.000 3.204 210 K HA -0.021 4.298 4.320 -0.000 0.000 0.263 210 K C -2.471 173.928 176.600 -0.334 0.000 1.214 210 K CA 0.290 56.428 56.287 -0.248 0.000 0.793 210 K CB -2.756 29.683 32.500 -0.103 0.000 1.372 210 K HN 0.356 nan 8.250 nan 0.000 0.496 211 P HA 0.179 nan 4.420 nan 0.000 0.275 211 P C 0.084 177.208 177.300 -0.293 0.000 1.228 211 P CA 0.045 62.911 63.100 -0.389 0.000 0.786 211 P CB 0.885 32.342 31.700 -0.404 0.000 0.927 212 D N 0.149 120.428 120.400 -0.202 0.000 2.320 212 D HA -0.004 4.636 4.640 -0.000 0.000 0.228 212 D C 0.245 176.599 176.300 0.090 0.000 0.978 212 D CA 1.211 55.133 54.000 -0.130 0.000 0.905 212 D CB -0.161 40.364 40.800 -0.459 0.000 1.051 212 D HN 0.394 nan 8.370 nan 0.000 0.471 213 D N 0.806 121.326 120.400 0.199 0.000 2.256 213 D HA 0.345 4.985 4.640 -0.000 0.000 0.240 213 D C -1.013 175.396 176.300 0.182 0.000 1.062 213 D CA -0.325 53.828 54.000 0.255 0.000 0.832 213 D CB 2.213 43.218 40.800 0.341 0.000 1.135 213 D HN -0.263 nan 8.370 nan 0.000 0.484 214 V N 4.145 124.181 119.914 0.203 0.000 2.735 214 V HA 0.587 4.707 4.120 -0.000 0.000 0.310 214 V C -0.253 175.971 176.094 0.217 0.000 1.061 214 V CA -0.717 61.702 62.300 0.198 0.000 0.913 214 V CB 1.935 33.920 31.823 0.270 0.000 1.005 214 V HN 0.397 nan 8.190 nan 0.000 0.428 215 I N 4.038 124.696 120.570 0.147 0.000 2.802 215 I HA 0.570 4.740 4.170 -0.000 0.000 0.298 215 I C -0.594 175.550 176.117 0.046 0.000 1.176 215 I CA -0.231 61.156 61.300 0.144 0.000 1.025 215 I CB 2.026 40.109 38.000 0.139 0.000 1.243 215 I HN 0.614 nan 8.210 nan 0.000 0.424 216 L N 6.095 127.351 121.223 0.056 0.000 2.298 216 L HA 0.999 5.339 4.340 -0.000 0.000 0.268 216 L C -1.129 175.754 176.870 0.022 0.000 1.010 216 L CA -0.721 54.100 54.840 -0.033 0.000 0.812 216 L CB 1.993 44.011 42.059 -0.069 0.000 1.331 216 L HN 0.606 nan 8.230 nan 0.000 0.450 217 V N 0.256 120.167 119.914 -0.005 0.000 3.232 217 V HA 0.727 4.847 4.120 -0.000 0.000 0.303 217 V C -1.161 174.937 176.094 0.007 0.000 1.311 217 V CA -0.708 61.596 62.300 0.008 0.000 1.061 217 V CB 1.839 33.670 31.823 0.014 0.000 1.085 217 V HN 0.946 nan 8.190 nan 0.000 0.447 218 I N -1.061 119.518 120.570 0.015 0.000 2.842 218 I HA 0.665 4.834 4.170 -0.000 0.000 0.296 218 I C -1.647 174.483 176.117 0.022 0.000 1.538 218 I CA -0.314 61.015 61.300 0.048 0.000 0.994 218 I CB 1.466 39.516 38.000 0.083 0.000 1.372 218 I HN 0.865 nan 8.210 nan 0.000 0.478 219 D N 2.788 123.212 120.400 0.039 0.000 2.210 219 D HA 0.645 5.285 4.640 -0.000 0.000 0.249 219 D C 1.090 177.381 176.300 -0.014 0.000 1.062 219 D CA 0.128 54.130 54.000 0.003 0.000 0.891 219 D CB 2.265 43.071 40.800 0.010 0.000 1.186 219 D HN 0.723 nan 8.370 nan 0.000 0.432 220 A N 2.874 125.668 122.820 -0.044 0.000 2.234 220 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 220 A C 2.114 179.670 177.584 -0.046 0.000 1.167 220 A CA 1.685 53.688 52.037 -0.056 0.000 0.698 220 A CB -0.732 18.222 19.000 -0.076 0.000 0.779 220 A HN 0.595 nan 8.150 nan 0.000 0.475 221 S N 0.103 115.780 115.700 -0.037 0.000 2.372 221 S HA -0.233 4.237 4.470 -0.000 0.000 0.227 221 S C 1.935 176.494 174.600 -0.069 0.000 1.044 221 S CA 1.705 59.879 58.200 -0.043 0.000 1.050 221 S CB -0.444 62.739 63.200 -0.029 0.000 0.901 221 S HN 0.698 nan 8.310 nan 0.000 0.447 222 I N 0.435 120.956 120.570 -0.082 0.000 2.333 222 I HA 0.207 4.376 4.170 -0.000 0.000 0.246 222 I C 1.423 177.488 176.117 -0.087 0.000 1.106 222 I CA 1.066 62.281 61.300 -0.142 0.000 1.411 222 I CB -0.850 37.029 38.000 -0.203 0.000 1.082 222 I HN 0.662 nan 8.210 nan 0.000 0.420 223 G N 0.828 109.598 108.800 -0.050 0.000 2.601 223 G HA2 -0.429 3.531 3.960 -0.000 0.000 0.252 223 G HA3 -0.429 3.531 3.960 -0.000 0.000 0.252 223 G C 0.639 175.536 174.900 -0.005 0.000 1.294 223 G CA 0.477 45.558 45.100 -0.032 0.000 0.912 223 G HN 0.689 nan 8.290 nan 0.000 0.574 224 Q N -0.223 119.579 119.800 0.003 0.000 2.224 224 Q HA -0.286 4.054 4.340 -0.000 0.000 0.213 224 Q C 2.249 178.270 176.000 0.035 0.000 0.998 224 Q CA 2.312 58.129 55.803 0.024 0.000 0.895 224 Q CB -0.445 28.285 28.738 -0.013 0.000 0.926 224 Q HN 0.768 nan 8.270 nan 0.000 0.417 225 K N 1.185 121.582 120.400 -0.004 0.000 2.000 225 K HA -0.240 4.080 4.320 -0.000 0.000 0.218 225 K C 2.369 179.013 176.600 0.074 0.000 1.053 225 K CA 1.658 57.942 56.287 -0.005 0.000 0.946 225 K CB -0.691 31.766 32.500 -0.072 0.000 0.723 225 K HN 0.373 nan 8.250 nan 0.000 0.446 226 A N 1.453 124.305 122.820 0.053 0.000 1.920 226 A HA -0.362 3.958 4.320 -0.000 0.000 0.229 226 A C 1.706 179.398 177.584 0.180 0.000 1.516 226 A CA 2.415 54.524 52.037 0.120 0.000 0.714 226 A CB -1.393 17.664 19.000 0.096 0.000 0.845 226 A HN 0.515 nan 8.150 nan 0.000 0.493 227 Y N 1.138 121.450 120.300 0.019 0.000 1.422 227 Y HA -0.495 4.055 4.550 -0.000 0.000 0.102 227 Y C 1.867 177.792 175.900 0.041 0.000 0.714 227 Y CA 3.303 61.414 58.100 0.018 0.000 0.455 227 Y CB -1.310 37.158 38.460 0.013 0.000 0.553 227 Y HN 0.704 nan 8.280 nan 0.000 0.752 228 D N 0.302 120.882 120.400 0.300 0.000 2.978 228 D HA -0.414 4.225 4.640 -0.000 0.000 0.235 228 D C 2.043 178.393 176.300 0.084 0.000 1.081 228 D CA 2.482 56.585 54.000 0.172 0.000 0.925 228 D CB -1.321 39.609 40.800 0.216 0.000 1.070 228 D HN 0.641 nan 8.370 nan 0.000 0.494 229 L N 0.552 121.855 121.223 0.133 0.000 2.059 229 L HA -0.394 3.946 4.340 -0.000 0.000 0.242 229 L C 2.392 179.330 176.870 0.114 0.000 1.107 229 L CA 3.701 58.621 54.840 0.132 0.000 0.836 229 L CB -1.147 41.033 42.059 0.202 0.000 0.933 229 L HN 0.246 nan 8.230 nan 0.000 0.446 230 A N -0.824 122.063 122.820 0.112 0.000 1.870 230 A HA -0.317 4.003 4.320 -0.000 0.000 0.219 230 A C 2.220 179.873 177.584 0.115 0.000 1.224 230 A CA 3.184 55.320 52.037 0.165 0.000 0.650 230 A CB -1.514 17.515 19.000 0.048 0.000 0.836 230 A HN 0.779 nan 8.150 nan 0.000 0.454 231 S N -0.309 115.344 115.700 -0.078 0.000 2.432 231 S HA -0.282 4.187 4.470 -0.000 0.000 0.266 231 S C 1.311 175.916 174.600 0.008 0.000 1.076 231 S CA 1.572 59.686 58.200 -0.142 0.000 1.320 231 S CB -0.575 62.469 63.200 -0.261 0.000 1.222 231 S HN 0.716 nan 8.310 nan 0.000 0.439 232 R N 1.340 121.871 120.500 0.051 0.000 2.633 232 R HA 0.048 4.388 4.340 -0.000 0.000 0.357 232 R C 0.362 176.799 176.300 0.229 0.000 0.923 232 R CA 0.913 57.070 56.100 0.096 0.000 1.046 232 R CB -0.478 29.870 30.300 0.080 0.000 0.924 232 R HN 0.525 nan 8.270 nan 0.000 0.413 233 F N 1.484 121.436 119.950 0.003 0.000 1.820 233 F HA -0.216 4.311 4.527 -0.000 0.000 0.568 233 F C 0.715 176.548 175.800 0.054 0.000 0.540 233 F CA 0.946 58.950 58.000 0.007 0.000 2.107 233 F CB -1.159 37.839 39.000 -0.003 0.000 2.943 233 F HN 0.685 nan 8.300 nan 0.000 0.240 234 H N 1.631 120.344 119.070 -0.595 0.000 2.466 234 H HA -0.166 4.389 4.556 -0.000 0.000 0.297 234 H C 1.578 176.692 175.328 -0.357 0.000 1.113 234 H CA 2.132 57.773 56.048 -0.678 0.000 1.273 234 H CB 0.165 29.688 29.762 -0.398 0.000 1.371 234 H HN 0.705 nan 8.280 nan 0.000 0.528 235 Q N -0.289 119.446 119.800 -0.108 0.000 2.089 235 Q HA 0.006 4.346 4.340 -0.000 0.000 0.195 235 Q C 2.697 178.676 176.000 -0.036 0.000 0.963 235 Q CA 0.598 56.349 55.803 -0.088 0.000 0.834 235 Q CB 0.027 28.744 28.738 -0.035 0.000 0.906 235 Q HN 0.421 nan 8.270 nan 0.000 0.452 236 A N 1.103 123.966 122.820 0.071 0.000 1.849 236 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 236 A C 1.237 178.855 177.584 0.056 0.000 1.202 236 A CA 1.433 53.536 52.037 0.110 0.000 0.629 236 A CB -0.243 18.927 19.000 0.285 0.000 0.834 236 A HN 0.207 nan 8.150 nan 0.000 0.447 237 S N -1.441 114.344 115.700 0.141 0.000 2.736 237 S HA 0.513 4.983 4.470 -0.000 0.000 0.285 237 S C -2.417 172.105 174.600 -0.130 0.000 1.163 237 S CA -0.907 57.328 58.200 0.059 0.000 1.025 237 S CB 2.000 65.359 63.200 0.264 0.000 1.030 237 S HN 0.073 nan 8.310 nan 0.000 0.486 238 P HA 0.015 nan 4.420 nan 0.000 0.217 238 P C 1.462 178.753 177.300 -0.015 0.000 1.154 238 P CA 0.530 63.539 63.100 -0.151 0.000 0.841 238 P CB -0.168 31.412 31.700 -0.201 0.000 0.788 239 I N -3.134 117.453 120.570 0.028 0.000 2.800 239 I HA -0.024 4.146 4.170 -0.000 0.000 0.266 239 I C 1.133 177.317 176.117 0.111 0.000 1.249 239 I CA 0.543 61.893 61.300 0.083 0.000 1.458 239 I CB -1.553 36.523 38.000 0.127 0.000 1.093 239 I HN -0.198 nan 8.210 nan 0.000 0.466 240 G N 2.063 110.912 108.800 0.081 0.000 2.305 240 G HA2 0.233 4.193 3.960 -0.000 0.000 0.281 240 G HA3 0.233 4.193 3.960 -0.000 0.000 0.281 240 G C -0.154 174.773 174.900 0.044 0.000 1.085 240 G CA -0.095 45.109 45.100 0.173 0.000 1.211 240 G HN 0.402 nan 8.290 nan 0.000 0.421 241 S N -0.022 115.757 115.700 0.131 0.000 2.681 241 S HA 0.793 5.263 4.470 -0.000 0.000 0.299 241 S C 0.288 174.934 174.600 0.077 0.000 1.113 241 S CA -0.280 57.943 58.200 0.038 0.000 1.013 241 S CB 2.048 65.257 63.200 0.015 0.000 1.076 241 S HN 1.208 nan 8.310 nan 0.000 0.534 242 V N -1.587 118.324 119.914 -0.005 0.000 3.130 242 V HA 0.735 4.855 4.120 -0.000 0.000 0.308 242 V C -1.764 174.290 176.094 -0.067 0.000 1.413 242 V CA -0.945 61.361 62.300 0.010 0.000 1.053 242 V CB 1.297 33.142 31.823 0.037 0.000 1.075 242 V HN 0.710 nan 8.190 nan 0.000 0.465 243 I N 0.228 120.778 120.570 -0.032 0.000 3.195 243 I HA 0.606 4.776 4.170 -0.000 0.000 0.313 243 I C -1.441 174.638 176.117 -0.064 0.000 1.237 243 I CA -0.742 60.526 61.300 -0.054 0.000 0.963 243 I CB 1.948 40.007 38.000 0.099 0.000 1.278 243 I HN 0.582 nan 8.210 nan 0.000 0.460 244 I N 1.733 122.242 120.570 -0.102 0.000 2.382 244 I HA 0.250 4.420 4.170 -0.000 0.000 0.285 244 I C 0.769 176.846 176.117 -0.066 0.000 1.007 244 I CA -0.332 60.911 61.300 -0.094 0.000 1.142 244 I CB 1.357 39.266 38.000 -0.152 0.000 1.289 244 I HN 0.673 nan 8.210 nan 0.000 0.453 245 T N 3.435 117.969 114.554 -0.034 0.000 2.906 245 T HA 0.218 4.568 4.350 -0.000 0.000 0.320 245 T C 0.228 174.903 174.700 -0.041 0.000 1.088 245 T CA -0.476 61.609 62.100 -0.026 0.000 1.120 245 T CB 0.143 69.006 68.868 -0.009 0.000 1.000 245 T HN 0.598 nan 8.240 nan 0.000 0.550 246 K N 1.908 122.284 120.400 -0.040 0.000 6.011 246 K HA -0.163 4.157 4.320 -0.000 0.000 0.669 246 K C 0.305 176.869 176.600 -0.061 0.000 2.113 246 K CA 0.190 56.450 56.287 -0.044 0.000 1.547 246 K CB -0.149 32.332 32.500 -0.032 0.000 1.839 246 K HN 0.538 nan 8.250 nan 0.000 0.287 247 M N 1.521 121.081 119.600 -0.065 0.000 2.962 247 M HA 0.007 4.487 4.480 -0.000 0.000 0.242 247 M C 1.009 177.277 176.300 -0.054 0.000 1.396 247 M CA 1.125 56.377 55.300 -0.080 0.000 1.287 247 M CB -0.663 31.880 32.600 -0.094 0.000 1.168 247 M HN 0.460 nan 8.290 nan 0.000 0.557 248 D N 0.693 121.068 120.400 -0.041 0.000 2.392 248 D HA 0.036 4.675 4.640 -0.000 0.000 0.228 248 D C 1.114 177.398 176.300 -0.025 0.000 1.003 248 D CA 0.599 54.583 54.000 -0.026 0.000 0.917 248 D CB -0.418 40.369 40.800 -0.021 0.000 0.890 248 D HN 0.434 nan 8.370 nan 0.000 0.532 249 G N -0.215 108.566 108.800 -0.031 0.000 3.882 249 G HA2 0.353 4.313 3.960 -0.000 0.000 0.283 249 G HA3 0.353 4.313 3.960 -0.000 0.000 0.283 249 G C 0.418 175.302 174.900 -0.027 0.000 1.283 249 G CA -0.108 44.976 45.100 -0.027 0.000 1.402 249 G HN 0.199 nan 8.290 nan 0.000 0.618 250 T N -2.343 112.196 114.554 -0.025 0.000 3.414 250 T HA 0.480 4.830 4.350 -0.000 0.000 0.079 250 T C 1.054 175.743 174.700 -0.019 0.000 0.544 250 T CA 0.633 62.718 62.100 -0.025 0.000 0.560 250 T CB -0.011 68.837 68.868 -0.034 0.000 0.859 250 T HN 1.191 nan 8.240 nan 0.000 0.195 251 A N -0.090 122.719 122.820 -0.019 0.000 2.828 251 A HA 0.057 4.377 4.320 -0.000 0.000 0.211 251 A C 1.075 178.654 177.584 -0.007 0.000 2.598 251 A CA 1.104 53.136 52.037 -0.009 0.000 1.695 251 A CB -1.572 17.424 19.000 -0.007 0.000 0.229 251 A HN 0.394 nan 8.150 nan 0.000 0.547 252 K N 0.382 120.772 120.400 -0.017 0.000 2.099 252 K HA 0.462 4.782 4.320 -0.000 0.000 0.203 252 K C 1.922 178.512 176.600 -0.017 0.000 1.047 252 K CA 1.555 57.834 56.287 -0.014 0.000 0.963 252 K CB -0.614 31.872 32.500 -0.024 0.000 0.759 252 K HN 1.349 nan 8.250 nan 0.000 0.451 253 G N 0.793 109.568 108.800 -0.042 0.000 2.684 253 G HA2 -0.439 3.521 3.960 -0.000 0.000 0.358 253 G HA3 -0.439 3.521 3.960 -0.000 0.000 0.358 253 G C 1.324 176.183 174.900 -0.068 0.000 1.164 253 G CA 1.944 46.997 45.100 -0.078 0.000 0.935 253 G HN 0.547 nan 8.290 nan 0.000 0.574 254 G N 0.075 108.852 108.800 -0.038 0.000 3.869 254 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.260 254 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.260 254 G C 2.442 177.359 174.900 0.029 0.000 0.870 254 G CA 3.258 48.383 45.100 0.042 0.000 0.731 254 G HN 2.297 nan 8.290 nan 0.000 1.403 255 G N 0.824 109.663 108.800 0.065 0.000 2.803 255 G HA2 -0.094 3.865 3.960 -0.000 0.000 0.227 255 G HA3 -0.094 3.865 3.960 -0.000 0.000 0.227 255 G C 2.066 176.980 174.900 0.024 0.000 1.129 255 G CA 3.619 48.749 45.100 0.049 0.000 0.755 255 G HN 1.719 nan 8.290 nan 0.000 0.634 256 A N 1.149 123.956 122.820 -0.021 0.000 1.908 256 A HA -0.063 4.256 4.320 -0.000 0.000 0.211 256 A C 2.504 180.049 177.584 -0.065 0.000 1.225 256 A CA 3.148 55.158 52.037 -0.044 0.000 0.689 256 A CB -1.032 17.918 19.000 -0.084 0.000 0.843 256 A HN 1.117 nan 8.150 nan 0.000 0.472 257 L N -0.690 120.431 121.223 -0.170 0.000 2.137 257 L HA -0.181 4.158 4.340 -0.000 0.000 0.213 257 L C 2.183 178.979 176.870 -0.124 0.000 1.085 257 L CA 2.513 57.194 54.840 -0.266 0.000 0.760 257 L CB -1.696 40.044 42.059 -0.530 0.000 0.893 257 L HN 0.275 nan 8.230 nan 0.000 0.434 258 S N 0.973 116.678 115.700 0.008 0.000 2.380 258 S HA -0.199 4.271 4.470 -0.000 0.000 0.217 258 S C 2.274 176.982 174.600 0.180 0.000 1.036 258 S CA 1.443 59.774 58.200 0.218 0.000 1.050 258 S CB -1.151 62.190 63.200 0.236 0.000 1.016 258 S HN 0.667 nan 8.310 nan 0.000 0.419 259 A N 2.064 124.988 122.820 0.174 0.000 1.893 259 A HA -0.221 4.099 4.320 -0.000 0.000 0.222 259 A C 2.265 180.039 177.584 0.317 0.000 1.309 259 A CA 2.520 54.768 52.037 0.352 0.000 0.681 259 A CB -1.748 17.450 19.000 0.330 0.000 0.842 259 A HN 0.333 nan 8.150 nan 0.000 0.468 260 V N -0.520 119.459 119.914 0.108 0.000 2.273 260 V HA -0.430 3.690 4.120 -0.000 0.000 0.248 260 V C 2.353 178.427 176.094 -0.034 0.000 1.023 260 V CA 2.744 65.022 62.300 -0.036 0.000 1.055 260 V CB -1.686 30.078 31.823 -0.098 0.000 0.692 260 V HN 0.501 nan 8.190 nan 0.000 0.491 261 V N 0.581 120.498 119.914 0.006 0.000 2.256 261 V HA -0.411 3.709 4.120 -0.000 0.000 0.256 261 V C 2.019 178.153 176.094 0.066 0.000 1.060 261 V CA 2.550 64.883 62.300 0.055 0.000 1.081 261 V CB -1.641 30.277 31.823 0.157 0.000 0.709 261 V HN 0.859 nan 8.190 nan 0.000 0.471 262 A N 0.487 123.397 122.820 0.149 0.000 2.916 262 A HA 0.166 4.486 4.320 -0.000 0.000 0.246 262 A C 1.242 178.928 177.584 0.170 0.000 1.971 262 A CA 1.574 53.735 52.037 0.207 0.000 1.681 262 A CB -1.174 18.010 19.000 0.306 0.000 0.745 262 A HN 1.100 nan 8.150 nan 0.000 0.627 263 T N -6.350 108.214 114.554 0.017 0.000 3.419 263 T HA 0.370 4.720 4.350 -0.000 0.000 0.291 263 T C 1.283 176.020 174.700 0.062 0.000 0.865 263 T CA 0.800 62.856 62.100 -0.073 0.000 0.861 263 T CB -0.502 68.163 68.868 -0.338 0.000 1.229 263 T HN 1.976 nan 8.240 nan 0.000 0.727 264 G N 1.921 110.753 108.800 0.053 0.000 2.176 264 G HA2 0.093 4.053 3.960 -0.000 0.000 0.253 264 G HA3 0.093 4.053 3.960 -0.000 0.000 0.253 264 G C 0.594 175.487 174.900 -0.011 0.000 0.979 264 G CA 0.145 45.342 45.100 0.161 0.000 0.641 264 G HN 1.619 nan 8.290 nan 0.000 0.530 265 A N -0.313 122.308 122.820 -0.331 0.000 2.644 265 A HA 0.450 4.769 4.320 -0.000 0.000 0.230 265 A C 0.814 178.218 177.584 -0.301 0.000 1.080 265 A CA 1.767 53.469 52.037 -0.557 0.000 0.773 265 A CB 0.111 18.909 19.000 -0.337 0.000 1.007 265 A HN 1.330 nan 8.150 nan 0.000 0.512 266 T N 1.942 116.325 114.554 -0.286 0.000 2.847 266 T HA 0.557 4.907 4.350 -0.000 0.000 0.291 266 T C -0.365 174.268 174.700 -0.113 0.000 0.998 266 T CA -0.197 61.831 62.100 -0.120 0.000 0.967 266 T CB 0.598 69.429 68.868 -0.061 0.000 0.954 266 T HN 0.421 nan 8.240 nan 0.000 0.441 267 I N 1.857 122.368 120.570 -0.099 0.000 3.474 267 I HA 0.595 4.765 4.170 -0.000 0.000 0.294 267 I C 1.195 177.245 176.117 -0.112 0.000 1.185 267 I CA -0.705 60.479 61.300 -0.193 0.000 1.003 267 I CB 1.165 38.857 38.000 -0.513 0.000 1.327 267 I HN 0.584 nan 8.210 nan 0.000 0.541 268 K N -0.148 120.092 120.400 -0.267 0.000 2.826 268 K HA 0.299 4.619 4.320 -0.000 0.000 0.187 268 K C -0.751 175.445 176.600 -0.673 0.000 1.662 268 K CA 0.156 56.109 56.287 -0.556 0.000 1.307 268 K CB 0.728 32.569 32.500 -1.098 0.000 1.792 268 K HN 0.286 nan 8.250 nan 0.000 0.618 269 F N -0.931 119.047 119.950 0.047 0.000 3.012 269 F HA 0.430 4.957 4.527 -0.000 0.000 0.346 269 F C 0.441 176.177 175.800 -0.106 0.000 1.239 269 F CA -0.973 57.024 58.000 -0.004 0.000 1.028 269 F CB 0.456 39.416 39.000 -0.067 0.000 1.497 269 F HN -0.214 nan 8.300 nan 0.000 0.521 270 I N -0.956 119.705 120.570 0.152 0.000 5.154 270 I HA 0.349 4.519 4.170 -0.000 0.000 0.321 270 I C 0.224 176.320 176.117 -0.034 0.000 1.120 270 I CA 1.111 62.394 61.300 -0.028 0.000 1.524 270 I CB 0.112 38.032 38.000 -0.134 0.000 1.880 270 I HN 0.817 nan 8.210 nan 0.000 0.588 271 G N 2.482 111.267 108.800 -0.026 0.000 2.415 271 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.189 271 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.189 271 G C 1.015 175.882 174.900 -0.054 0.000 0.317 271 G CA 0.943 46.013 45.100 -0.049 0.000 0.991 271 G HN 0.827 nan 8.290 nan 0.000 0.415 272 T N 0.638 115.163 114.554 -0.050 0.000 2.718 272 T HA 0.097 4.446 4.350 -0.000 0.000 0.266 272 T C 2.244 176.916 174.700 -0.046 0.000 1.033 272 T CA 2.264 64.336 62.100 -0.047 0.000 1.151 272 T CB -0.034 68.815 68.868 -0.032 0.000 0.853 272 T HN 2.565 nan 8.240 nan 0.000 0.466 273 G N 0.499 109.271 108.800 -0.047 0.000 2.251 273 G HA2 0.125 4.085 3.960 -0.000 0.000 0.058 273 G HA3 0.125 4.085 3.960 -0.000 0.000 0.058 273 G C -0.667 174.203 174.900 -0.049 0.000 0.922 273 G CA -0.162 44.912 45.100 -0.044 0.000 1.133 273 G HN 0.442 nan 8.290 nan 0.000 0.410 274 E N 0.679 120.853 120.200 -0.045 0.000 3.194 274 E HA 0.292 4.641 4.350 -0.000 0.000 0.343 274 E C -0.210 176.347 176.600 -0.072 0.000 1.500 274 E CA 0.299 56.669 56.400 -0.051 0.000 1.748 274 E CB -0.003 29.672 29.700 -0.041 0.000 0.994 274 E HN 0.385 nan 8.360 nan 0.000 0.644 275 K N 0.158 120.510 120.400 -0.079 0.000 7.219 275 K HA -0.213 4.107 4.320 -0.000 0.000 0.683 275 K C 0.270 176.762 176.600 -0.180 0.000 2.548 275 K CA 0.335 56.556 56.287 -0.111 0.000 1.868 275 K CB -0.411 32.036 32.500 -0.089 0.000 1.932 275 K HN 0.585 nan 8.250 nan 0.000 0.297 276 I N 3.107 123.523 120.570 -0.257 0.000 3.055 276 I HA -0.226 3.944 4.170 -0.000 0.000 0.277 276 I C 1.166 176.793 176.117 -0.817 0.000 1.306 276 I CA 1.951 62.968 61.300 -0.471 0.000 1.426 276 I CB -0.109 37.591 38.000 -0.500 0.000 1.081 276 I HN 0.550 nan 8.210 nan 0.000 0.502 277 D N -1.587 118.544 120.400 -0.448 0.000 2.399 277 D HA -0.034 4.606 4.640 -0.000 0.000 0.269 277 D C 1.425 177.688 176.300 -0.061 0.000 1.105 277 D CA -0.051 53.811 54.000 -0.229 0.000 0.844 277 D CB -0.547 40.233 40.800 -0.034 0.000 1.372 277 D HN 0.362 nan 8.370 nan 0.000 0.517 278 E N 0.828 120.975 120.200 -0.088 0.000 2.370 278 E HA -0.178 4.171 4.350 -0.000 0.000 0.205 278 E C 0.930 177.494 176.600 -0.060 0.000 1.037 278 E CA 0.326 56.691 56.400 -0.059 0.000 0.845 278 E CB -0.195 29.468 29.700 -0.060 0.000 0.753 278 E HN 0.237 nan 8.360 nan 0.000 0.507 279 L N 1.424 122.598 121.223 -0.081 0.000 2.461 279 L HA 0.040 4.380 4.340 -0.000 0.000 0.272 279 L C -0.165 176.614 176.870 -0.152 0.000 1.197 279 L CA 0.620 55.386 54.840 -0.124 0.000 0.836 279 L CB 0.516 42.459 42.059 -0.194 0.000 1.105 279 L HN -0.112 nan 8.230 nan 0.000 0.477 280 E N 1.833 121.957 120.200 -0.127 0.000 2.433 280 E HA 0.375 4.724 4.350 -0.000 0.000 0.278 280 E C -0.300 176.338 176.600 0.064 0.000 0.976 280 E CA -0.722 55.624 56.400 -0.091 0.000 0.793 280 E CB 1.260 30.957 29.700 -0.005 0.000 1.311 280 E HN 0.702 nan 8.360 nan 0.000 0.460 281 T N 0.416 115.026 114.554 0.093 0.000 5.610 281 T HA 0.171 4.521 4.350 -0.000 0.000 0.419 281 T C -0.399 174.507 174.700 0.343 0.000 0.955 281 T CA 0.418 62.719 62.100 0.335 0.000 0.885 281 T CB -0.042 68.900 68.868 0.123 0.000 1.306 281 T HN 0.446 nan 8.240 nan 0.000 0.393 282 F N 0.961 120.932 119.950 0.035 0.000 2.648 282 F HA 0.343 4.870 4.527 -0.000 0.000 0.312 282 F C -1.818 173.981 175.800 -0.002 0.000 1.028 282 F CA -0.946 57.052 58.000 -0.004 0.000 1.035 282 F CB 0.501 39.462 39.000 -0.065 0.000 1.278 282 F HN 0.579 nan 8.300 nan 0.000 0.508 283 N N 5.292 123.143 118.700 -1.416 0.000 3.151 283 N HA 0.469 5.209 4.740 -0.000 0.000 0.219 283 N C 0.458 175.582 175.510 -0.643 0.000 1.434 283 N CA 0.260 52.633 53.050 -1.128 0.000 0.767 283 N CB 1.355 39.578 38.487 -0.439 0.000 1.564 283 N HN 1.167 nan 8.380 nan 0.000 0.612 284 A N 3.422 125.885 122.820 -0.595 0.000 2.018 284 A HA -0.450 3.870 4.320 -0.000 0.000 0.316 284 A C 1.797 179.502 177.584 0.201 0.000 4.379 284 A CA 2.663 54.830 52.037 0.217 0.000 1.023 284 A CB -1.290 17.863 19.000 0.255 0.000 0.534 284 A HN 0.820 nan 8.150 nan 0.000 0.453 285 K N -1.234 119.251 120.400 0.141 0.000 2.007 285 K HA -0.364 3.955 4.320 -0.000 0.000 0.231 285 K C 2.128 178.735 176.600 0.011 0.000 1.044 285 K CA 2.064 58.423 56.287 0.121 0.000 0.996 285 K CB -0.554 32.022 32.500 0.126 0.000 0.738 285 K HN 0.597 nan 8.250 nan 0.000 0.447 286 R N 0.019 120.514 120.500 -0.009 0.000 2.301 286 R HA -0.300 4.039 4.340 -0.000 0.000 0.250 286 R C 2.338 178.698 176.300 0.100 0.000 1.102 286 R CA 2.661 58.767 56.100 0.010 0.000 0.933 286 R CB -0.466 29.815 30.300 -0.031 0.000 0.955 286 R HN 0.398 nan 8.270 nan 0.000 0.439 287 F N 0.160 120.131 119.950 0.036 0.000 2.104 287 F HA -0.035 4.492 4.527 -0.000 0.000 0.288 287 F C 2.099 177.946 175.800 0.079 0.000 1.107 287 F CA 1.154 59.205 58.000 0.086 0.000 1.208 287 F CB -0.953 38.152 39.000 0.175 0.000 1.033 287 F HN -0.146 nan 8.300 nan 0.000 0.478 288 V N 1.111 120.785 119.914 -0.398 0.000 2.223 288 V HA -0.455 3.665 4.120 -0.000 0.000 0.253 288 V C 2.546 178.346 176.094 -0.489 0.000 1.061 288 V CA 2.716 64.721 62.300 -0.492 0.000 1.035 288 V CB -1.481 30.342 31.823 0.000 0.000 0.653 288 V HN 0.559 nan 8.190 nan 0.000 0.454 289 S N -0.119 115.332 115.700 -0.414 0.000 2.380 289 S HA -0.367 4.102 4.470 -0.000 0.000 0.229 289 S C 2.039 176.453 174.600 -0.311 0.000 1.050 289 S CA 2.138 60.060 58.200 -0.462 0.000 1.100 289 S CB -0.701 62.273 63.200 -0.376 0.000 0.984 289 S HN 0.568 nan 8.310 nan 0.000 0.434 290 R N 1.773 122.142 120.500 -0.219 0.000 2.153 290 R HA -0.166 4.174 4.340 -0.000 0.000 0.252 290 R C 1.515 177.722 176.300 -0.155 0.000 1.158 290 R CA 1.642 57.673 56.100 -0.114 0.000 0.975 290 R CB -0.617 29.719 30.300 0.060 0.000 0.871 290 R HN 0.582 nan 8.270 nan 0.000 0.450 291 I N -0.619 119.750 120.570 -0.335 0.000 3.838 291 I HA 0.123 4.293 4.170 -0.000 0.000 0.320 291 I C 0.373 176.381 176.117 -0.182 0.000 1.429 291 I CA 0.365 61.529 61.300 -0.227 0.000 1.223 291 I CB -0.350 37.473 38.000 -0.295 0.000 1.147 291 I HN 0.101 nan 8.210 nan 0.000 0.410 292 L N -0.409 120.704 121.223 -0.183 0.000 4.117 292 L HA 0.375 4.715 4.340 -0.000 0.000 0.403 292 L C 1.700 178.486 176.870 -0.141 0.000 1.051 292 L CA 0.360 55.098 54.840 -0.170 0.000 1.521 292 L CB -0.245 41.665 42.059 -0.249 0.000 1.894 292 L HN 0.289 nan 8.230 nan 0.000 0.632 293 G N 1.918 110.636 108.800 -0.137 0.000 2.987 293 G HA2 -0.476 3.483 3.960 -0.000 0.000 0.363 293 G HA3 -0.476 3.483 3.960 -0.000 0.000 0.363 293 G C 0.548 175.388 174.900 -0.100 0.000 1.224 293 G CA 1.151 46.192 45.100 -0.098 0.000 1.042 293 G HN 0.227 nan 8.290 nan 0.000 0.644 294 M N 3.565 123.122 119.600 -0.072 0.000 2.720 294 M HA 0.505 4.984 4.480 -0.000 0.000 0.328 294 M C 0.655 176.906 176.300 -0.083 0.000 1.682 294 M CA -0.327 54.937 55.300 -0.061 0.000 1.381 294 M CB -0.500 32.080 32.600 -0.033 0.000 1.868 294 M HN 1.013 nan 8.290 nan 0.000 0.459 295 G N 5.659 114.399 108.800 -0.100 0.000 3.378 295 G HA2 0.324 4.284 3.960 -0.000 0.000 0.332 295 G HA3 0.324 4.284 3.960 -0.000 0.000 0.332 295 G C 0.271 175.129 174.900 -0.070 0.000 1.490 295 G CA -0.397 44.634 45.100 -0.115 0.000 1.068 295 G HN 0.778 nan 8.290 nan 0.000 0.492 296 D N 2.732 123.109 120.400 -0.039 0.000 2.128 296 D HA -0.120 4.520 4.640 -0.000 0.000 0.213 296 D C 2.696 178.989 176.300 -0.011 0.000 0.983 296 D CA 0.960 54.948 54.000 -0.021 0.000 0.889 296 D CB -0.357 40.438 40.800 -0.009 0.000 1.018 296 D HN 0.576 nan 8.370 nan 0.000 0.448 297 I N 0.839 121.410 120.570 0.001 0.000 3.917 297 I HA -0.528 3.642 4.170 -0.000 0.000 0.149 297 I C 2.052 178.178 176.117 0.015 0.000 0.698 297 I CA 3.062 64.372 61.300 0.016 0.000 0.967 297 I CB -1.483 36.534 38.000 0.028 0.000 0.796 297 I HN 0.111 nan 8.210 nan 0.000 0.265 298 E N 0.943 121.154 120.200 0.017 0.000 2.217 298 E HA -0.386 3.964 4.350 -0.000 0.000 0.219 298 E C 2.059 178.666 176.600 0.012 0.000 1.070 298 E CA 2.464 58.881 56.400 0.027 0.000 0.889 298 E CB -0.524 29.195 29.700 0.032 0.000 0.768 298 E HN 0.808 nan 8.360 nan 0.000 0.465 299 S N 0.905 116.606 115.700 0.001 0.000 2.472 299 S HA -0.221 4.249 4.470 -0.000 0.000 0.213 299 S C 2.146 176.740 174.600 -0.009 0.000 1.064 299 S CA 1.615 59.811 58.200 -0.007 0.000 1.144 299 S CB -0.473 62.721 63.200 -0.009 0.000 1.085 299 S HN 0.382 nan 8.310 nan 0.000 0.405 300 I N 1.968 122.534 120.570 -0.007 0.000 2.285 300 I HA -0.203 3.967 4.170 -0.000 0.000 0.253 300 I C 2.201 178.314 176.117 -0.006 0.000 1.104 300 I CA 2.206 63.501 61.300 -0.009 0.000 1.372 300 I CB -0.929 37.071 38.000 -0.001 0.000 1.057 300 I HN 0.586 nan 8.210 nan 0.000 0.431 301 L N 0.671 121.898 121.223 0.007 0.000 1.932 301 L HA -0.258 4.081 4.340 -0.000 0.000 0.217 301 L C 2.630 179.502 176.870 0.003 0.000 1.077 301 L CA 2.205 57.055 54.840 0.017 0.000 0.765 301 L CB -0.680 41.396 42.059 0.029 0.000 0.888 301 L HN 0.309 nan 8.230 nan 0.000 0.433 302 E N -0.177 120.021 120.200 -0.002 0.000 2.301 302 E HA -0.260 4.090 4.350 -0.000 0.000 0.202 302 E C 1.916 178.495 176.600 -0.035 0.000 1.017 302 E CA 1.406 57.798 56.400 -0.013 0.000 0.831 302 E CB 0.092 29.784 29.700 -0.013 0.000 0.742 302 E HN 0.414 nan 8.360 nan 0.000 0.491 303 K N -0.307 120.067 120.400 -0.043 0.000 2.147 303 K HA -0.115 4.205 4.320 -0.000 0.000 0.205 303 K C 2.085 178.644 176.600 -0.070 0.000 1.049 303 K CA 0.962 57.205 56.287 -0.073 0.000 0.936 303 K CB -0.883 31.576 32.500 -0.069 0.000 0.722 303 K HN 0.125 nan 8.250 nan 0.000 0.446 304 V N 2.325 122.218 119.914 -0.035 0.000 2.231 304 V HA -0.329 3.791 4.120 -0.000 0.000 0.250 304 V C 2.682 178.766 176.094 -0.016 0.000 1.058 304 V CA 2.359 64.648 62.300 -0.018 0.000 1.022 304 V CB -0.566 31.259 31.823 0.005 0.000 0.640 304 V HN 0.421 nan 8.190 nan 0.000 0.445 305 K N -0.062 120.330 120.400 -0.012 0.000 2.089 305 K HA -0.230 4.090 4.320 -0.000 0.000 0.210 305 K C 2.086 178.667 176.600 -0.032 0.000 1.048 305 K CA 1.964 58.253 56.287 0.004 0.000 0.926 305 K CB -0.778 31.723 32.500 0.001 0.000 0.714 305 K HN 0.525 nan 8.250 nan 0.000 0.448 306 G N 1.834 110.551 108.800 -0.137 0.000 2.639 306 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.216 306 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.216 306 G C 1.309 176.030 174.900 -0.298 0.000 1.267 306 G CA 1.072 45.957 45.100 -0.359 0.000 0.801 306 G HN 0.299 nan 8.290 nan 0.000 0.592 307 L N 0.829 121.973 121.223 -0.131 0.000 1.913 307 L HA 0.107 4.447 4.340 -0.000 0.000 0.217 307 L C 0.749 177.673 176.870 0.090 0.000 1.086 307 L CA 1.110 55.946 54.840 -0.006 0.000 0.772 307 L CB -1.233 40.817 42.059 -0.014 0.000 0.887 307 L HN 0.123 nan 8.230 nan 0.000 0.432 308 E N 2.075 122.307 120.200 0.053 0.000 2.734 308 E HA -0.041 4.309 4.350 -0.000 0.000 0.235 308 E C 0.206 176.871 176.600 0.108 0.000 1.107 308 E CA 0.845 57.285 56.400 0.066 0.000 0.951 308 E CB -0.688 29.036 29.700 0.040 0.000 0.955 308 E HN 0.486 nan 8.360 nan 0.000 0.515 309 E N 0.819 121.101 120.200 0.136 0.000 4.465 309 E HA -0.189 4.160 4.350 -0.000 0.000 0.378 309 E C -0.112 176.617 176.600 0.214 0.000 0.610 309 E CA 0.131 56.623 56.400 0.152 0.000 1.549 309 E CB -1.283 28.514 29.700 0.162 0.000 1.872 309 E HN 0.454 nan 8.360 nan 0.000 0.331 310 Y N 0.127 120.424 120.300 -0.005 0.000 2.589 310 Y HA 0.096 4.646 4.550 -0.000 0.000 0.271 310 Y C 1.683 177.582 175.900 -0.003 0.000 1.107 310 Y CA 0.928 59.024 58.100 -0.007 0.000 1.273 310 Y CB 0.528 38.978 38.460 -0.015 0.000 1.266 310 Y HN -0.007 nan 8.280 nan 0.000 0.504 311 D N 0.443 120.897 120.400 0.089 0.000 2.190 311 D HA -0.224 4.416 4.640 -0.000 0.000 0.200 311 D C 1.913 178.204 176.300 -0.016 0.000 0.992 311 D CA 1.344 55.368 54.000 0.039 0.000 0.854 311 D CB -0.259 40.566 40.800 0.041 0.000 0.936 311 D HN 0.199 nan 8.370 nan 0.000 0.462 312 K N 0.507 120.885 120.400 -0.036 0.000 2.117 312 K HA -0.263 4.057 4.320 -0.000 0.000 0.215 312 K C 1.743 178.278 176.600 -0.107 0.000 1.053 312 K CA 1.500 57.742 56.287 -0.077 0.000 0.935 312 K CB -0.095 32.340 32.500 -0.109 0.000 0.719 312 K HN 0.078 nan 8.250 nan 0.000 0.460 313 I N 1.415 121.879 120.570 -0.175 0.000 2.036 313 I HA -0.302 3.867 4.170 -0.000 0.000 0.231 313 I C 2.086 178.162 176.117 -0.068 0.000 1.044 313 I CA 1.420 62.630 61.300 -0.150 0.000 1.315 313 I CB -1.737 36.155 38.000 -0.180 0.000 1.051 313 I HN 0.471 nan 8.210 nan 0.000 0.391 314 Q N 1.213 120.990 119.800 -0.039 0.000 2.462 314 Q HA -0.340 3.999 4.340 -0.000 0.000 0.589 314 Q C 1.397 177.392 176.000 -0.007 0.000 0.600 314 Q CA 2.540 58.339 55.803 -0.006 0.000 0.979 314 Q CB -0.817 27.928 28.738 0.011 0.000 1.704 314 Q HN 0.441 nan 8.270 nan 0.000 1.007 315 K N 0.604 121.004 120.400 -0.000 0.000 1.858 315 K HA -0.291 4.028 4.320 -0.000 0.000 0.111 315 K C 0.423 177.023 176.600 0.000 0.000 1.078 315 K CA 2.331 58.618 56.287 -0.000 0.000 0.417 315 K CB -1.472 31.024 32.500 -0.006 0.000 0.587 315 K HN 0.683 nan 8.250 nan 0.000 0.950 316 K N 2.033 122.430 120.400 -0.005 0.000 2.123 316 K HA 0.550 4.870 4.320 -0.000 0.000 0.248 316 K C 1.063 177.655 176.600 -0.013 0.000 0.969 316 K CA -0.662 55.622 56.287 -0.004 0.000 0.882 316 K CB 1.944 34.442 32.500 -0.003 0.000 1.080 316 K HN 0.623 nan 8.250 nan 0.000 0.441 317 M N -0.726 118.867 119.600 -0.012 0.000 2.318 317 M HA 0.192 4.672 4.480 -0.000 0.000 0.214 317 M C -0.267 176.021 176.300 -0.019 0.000 0.737 317 M CA -0.609 54.678 55.300 -0.021 0.000 1.877 317 M CB -0.739 31.851 32.600 -0.016 0.000 1.115 317 M HN 0.693 nan 8.290 nan 0.000 0.908 318 E N 1.988 122.178 120.200 -0.016 0.000 3.188 318 E HA -0.149 4.201 4.350 -0.000 0.000 0.303 318 E C -1.232 175.362 176.600 -0.010 0.000 0.930 318 E CA 0.569 56.962 56.400 -0.012 0.000 1.002 318 E CB -0.244 29.453 29.700 -0.005 0.000 1.040 318 E HN 0.385 nan 8.360 nan 0.000 0.486 319 D N 1.314 121.709 120.400 -0.009 0.000 2.342 319 D HA 0.360 4.999 4.640 -0.000 0.000 0.243 319 D C 0.580 176.878 176.300 -0.003 0.000 1.019 319 D CA -0.138 53.858 54.000 -0.007 0.000 0.864 319 D CB 1.875 42.669 40.800 -0.009 0.000 1.315 319 D HN 0.463 nan 8.370 nan 0.000 0.468 320 V N 0.552 120.465 119.914 -0.002 0.000 0.690 320 V HA -0.379 3.741 4.120 -0.000 0.000 0.092 320 V C 0.500 176.595 176.094 0.002 0.000 0.779 320 V CA 1.327 63.627 62.300 0.000 0.000 3.099 320 V CB -1.470 30.354 31.823 0.001 0.000 0.188 320 V HN 0.707 nan 8.190 nan 0.000 0.084 321 M N -1.782 117.819 119.600 0.003 0.000 2.891 321 M HA 0.611 5.091 4.480 -0.000 0.000 0.319 321 M C 0.613 176.916 176.300 0.004 0.000 1.395 321 M CA 0.300 55.602 55.300 0.004 0.000 1.037 321 M CB 0.263 32.865 32.600 0.004 0.000 2.073 321 M HN 0.802 nan 8.290 nan 0.000 0.596 322 E N 0.342 120.546 120.200 0.005 0.000 3.621 322 E HA -0.258 4.092 4.350 -0.000 0.000 0.387 322 E C 0.327 176.931 176.600 0.007 0.000 1.599 322 E CA 1.581 57.985 56.400 0.006 0.000 1.861 322 E CB -0.863 28.840 29.700 0.006 0.000 1.692 322 E HN 0.921 nan 8.360 nan 0.000 0.421 323 G N 0.730 109.534 108.800 0.008 0.000 3.590 323 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.232 323 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.232 323 G C -0.366 174.540 174.900 0.010 0.000 1.239 323 G CA 0.557 45.662 45.100 0.009 0.000 0.861 323 G HN 0.270 nan 8.290 nan 0.000 0.580 324 K N 0.448 120.855 120.400 0.013 0.000 2.319 324 K HA 0.500 4.820 4.320 -0.000 0.000 0.265 324 K C 1.114 177.723 176.600 0.016 0.000 1.000 324 K CA 0.749 57.045 56.287 0.016 0.000 0.943 324 K CB 1.071 33.582 32.500 0.019 0.000 0.950 324 K HN 0.630 nan 8.250 nan 0.000 0.485 325 G N 1.303 110.114 108.800 0.017 0.000 3.434 325 G HA2 0.219 4.179 3.960 -0.000 0.000 0.197 325 G HA3 0.219 4.179 3.960 -0.000 0.000 0.197 325 G C -0.184 174.729 174.900 0.022 0.000 1.559 325 G CA 0.006 45.115 45.100 0.015 0.000 0.852 325 G HN 0.423 nan 8.290 nan 0.000 0.682 326 K N -1.363 119.047 120.400 0.018 0.000 4.224 326 K HA 0.654 4.974 4.320 -0.000 0.000 0.207 326 K C -0.657 175.960 176.600 0.027 0.000 1.175 326 K CA 0.048 56.350 56.287 0.024 0.000 1.769 326 K CB -0.385 32.123 32.500 0.013 0.000 2.478 326 K HN 0.321 nan 8.250 nan 0.000 0.507 327 L N -1.951 119.282 121.223 0.018 0.000 2.671 327 L HA 0.577 4.916 4.340 -0.000 0.000 0.259 327 L C -0.117 176.761 176.870 0.013 0.000 1.021 327 L CA -0.587 54.263 54.840 0.017 0.000 0.871 327 L CB 1.764 43.831 42.059 0.015 0.000 1.472 327 L HN 0.374 nan 8.230 nan 0.000 0.410 328 T N -1.156 113.407 114.554 0.016 0.000 3.646 328 T HA 0.193 4.542 4.350 -0.000 0.000 0.213 328 T C 0.643 175.358 174.700 0.026 0.000 0.860 328 T CA 0.002 62.113 62.100 0.019 0.000 1.045 328 T CB -0.244 68.630 68.868 0.011 0.000 1.057 328 T HN 0.338 nan 8.240 nan 0.000 0.340 329 L N 2.711 123.944 121.223 0.017 0.000 2.737 329 L HA 0.288 4.628 4.340 -0.000 0.000 0.246 329 L C 1.995 178.864 176.870 -0.001 0.000 1.153 329 L CA 0.834 55.678 54.840 0.007 0.000 0.920 329 L CB -0.392 41.669 42.059 0.004 0.000 1.090 329 L HN 0.213 nan 8.230 nan 0.000 0.430 330 R N -1.153 119.359 120.500 0.020 0.000 2.102 330 R HA 0.008 4.347 4.340 -0.000 0.000 0.208 330 R C 1.403 177.763 176.300 0.100 0.000 1.131 330 R CA 0.462 56.586 56.100 0.040 0.000 1.054 330 R CB -0.137 30.155 30.300 -0.014 0.000 0.954 330 R HN 0.101 nan 8.270 nan 0.000 0.465 331 D N 1.306 121.750 120.400 0.075 0.000 2.239 331 D HA -0.163 4.477 4.640 -0.000 0.000 0.202 331 D C 1.883 178.229 176.300 0.076 0.000 0.993 331 D CA 1.149 55.211 54.000 0.104 0.000 0.874 331 D CB -0.232 40.645 40.800 0.128 0.000 0.922 331 D HN 0.092 nan 8.370 nan 0.000 0.464 332 V N 0.710 120.662 119.914 0.064 0.000 2.235 332 V HA -0.340 3.780 4.120 -0.000 0.000 0.244 332 V C 2.210 178.343 176.094 0.065 0.000 1.036 332 V CA 2.229 64.556 62.300 0.046 0.000 1.001 332 V CB -0.939 30.877 31.823 -0.011 0.000 0.643 332 V HN 0.274 nan 8.190 nan 0.000 0.463 333 Y N 1.424 121.693 120.300 -0.051 0.000 2.298 333 Y HA -0.227 4.323 4.550 -0.000 0.000 0.287 333 Y C 2.169 178.055 175.900 -0.024 0.000 1.164 333 Y CA 1.603 59.682 58.100 -0.035 0.000 1.229 333 Y CB -0.698 37.727 38.460 -0.059 0.000 0.977 333 Y HN 0.196 nan 8.280 nan 0.000 0.538 334 A N 0.783 123.470 122.820 -0.221 0.000 1.873 334 A HA -0.356 3.964 4.320 -0.000 0.000 0.218 334 A C 2.270 179.663 177.584 -0.318 0.000 1.193 334 A CA 2.145 53.972 52.037 -0.351 0.000 0.629 334 A CB -1.252 17.691 19.000 -0.096 0.000 0.826 334 A HN 0.708 nan 8.150 nan 0.000 0.447 335 Q N -0.574 119.139 119.800 -0.146 0.000 2.028 335 Q HA -0.265 4.075 4.340 -0.000 0.000 0.213 335 Q C 1.786 177.692 176.000 -0.155 0.000 1.017 335 Q CA 2.396 58.139 55.803 -0.099 0.000 0.875 335 Q CB -0.423 28.308 28.738 -0.012 0.000 0.962 335 Q HN 0.585 nan 8.270 nan 0.000 0.413 336 I N 0.152 120.626 120.570 -0.160 0.000 4.126 336 I HA -0.445 3.725 4.170 -0.000 0.000 0.123 336 I C 2.264 178.275 176.117 -0.177 0.000 0.728 336 I CA 1.714 62.925 61.300 -0.149 0.000 0.916 336 I CB -1.905 35.975 38.000 -0.200 0.000 0.726 336 I HN 0.404 nan 8.210 nan 0.000 0.286 337 I N 0.527 120.931 120.570 -0.277 0.000 4.617 337 I HA -0.447 3.723 4.170 -0.000 0.000 0.084 337 I C 2.554 178.587 176.117 -0.140 0.000 0.660 337 I CA 2.869 64.043 61.300 -0.210 0.000 0.600 337 I CB -1.823 36.009 38.000 -0.280 0.000 0.520 337 I HN 0.604 nan 8.210 nan 0.000 0.203 338 A N 0.229 122.952 122.820 -0.161 0.000 2.028 338 A HA -0.377 3.943 4.320 -0.000 0.000 0.296 338 A C 2.089 179.624 177.584 -0.082 0.000 3.464 338 A CA 3.808 55.770 52.037 -0.126 0.000 1.008 338 A CB -1.746 17.169 19.000 -0.142 0.000 0.658 338 A HN 0.631 nan 8.150 nan 0.000 0.482 339 L N -2.013 119.167 121.223 -0.071 0.000 1.980 339 L HA -0.350 3.990 4.340 -0.000 0.000 0.232 339 L C 2.623 179.472 176.870 -0.034 0.000 1.092 339 L CA 2.682 57.495 54.840 -0.045 0.000 0.808 339 L CB -1.082 40.954 42.059 -0.037 0.000 0.908 339 L HN 0.561 nan 8.230 nan 0.000 0.442 340 R N 0.434 120.915 120.500 -0.032 0.000 2.113 340 R HA -0.174 4.166 4.340 -0.000 0.000 0.244 340 R C 2.290 178.580 176.300 -0.018 0.000 1.142 340 R CA 1.750 57.839 56.100 -0.018 0.000 0.953 340 R CB -0.300 29.993 30.300 -0.011 0.000 0.860 340 R HN 0.315 nan 8.270 nan 0.000 0.438 341 K N -0.322 120.061 120.400 -0.029 0.000 2.062 341 K HA -0.073 4.247 4.320 -0.000 0.000 0.205 341 K C 1.222 177.808 176.600 -0.023 0.000 1.051 341 K CA 0.980 57.252 56.287 -0.025 0.000 0.941 341 K CB -0.145 32.333 32.500 -0.037 0.000 0.719 341 K HN 0.290 nan 8.250 nan 0.000 0.440 342 M N 1.115 120.696 119.600 -0.031 0.000 3.731 342 M HA 0.028 4.508 4.480 -0.000 0.000 0.176 342 M C -0.307 175.983 176.300 -0.016 0.000 1.554 342 M CA 0.333 55.618 55.300 -0.026 0.000 1.718 342 M CB -0.839 31.739 32.600 -0.036 0.000 1.246 342 M HN 0.318 nan 8.290 nan 0.000 0.486 343 G N 1.654 110.449 108.800 -0.008 0.000 2.712 343 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.686 343 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.686 343 G C -3.074 171.825 174.900 -0.002 0.000 1.321 343 G CA -1.347 43.752 45.100 -0.001 0.000 0.813 343 G HN 0.381 nan 8.290 nan 0.000 0.599 344 P HA 0.279 nan 4.420 nan 0.000 0.276 344 P C 0.945 178.247 177.300 0.004 0.000 1.264 344 P CA -0.451 62.652 63.100 0.005 0.000 0.815 344 P CB 0.343 32.048 31.700 0.007 0.000 1.121 345 L N -0.339 120.887 121.223 0.005 0.000 2.859 345 L HA 0.194 4.534 4.340 -0.000 0.000 0.181 345 L C 1.465 178.340 176.870 0.008 0.000 1.196 345 L CA 0.823 55.666 54.840 0.004 0.000 1.062 345 L CB -1.057 41.004 42.059 0.003 0.000 1.961 345 L HN 0.521 nan 8.230 nan 0.000 0.507 346 S N -0.518 115.184 115.700 0.004 0.000 4.155 346 S HA -0.469 4.000 4.470 -0.000 0.000 0.538 346 S C 1.573 176.184 174.600 0.018 0.000 1.284 346 S CA 2.192 60.395 58.200 0.004 0.000 3.676 346 S CB -1.448 61.752 63.200 -0.001 0.000 1.966 346 S HN 0.646 nan 8.310 nan 0.000 0.455 347 K N 0.693 121.106 120.400 0.023 0.000 2.265 347 K HA -0.336 3.984 4.320 -0.000 0.000 0.210 347 K C 2.006 178.674 176.600 0.112 0.000 1.036 347 K CA 2.521 58.839 56.287 0.051 0.000 0.934 347 K CB -0.884 31.652 32.500 0.060 0.000 0.765 347 K HN 0.662 nan 8.250 nan 0.000 0.485 348 V N -1.152 118.812 119.914 0.082 0.000 2.273 348 V HA -0.162 3.958 4.120 -0.000 0.000 0.242 348 V C 2.121 178.260 176.094 0.076 0.000 1.035 348 V CA 1.460 63.811 62.300 0.084 0.000 1.013 348 V CB -1.008 30.830 31.823 0.025 0.000 0.652 348 V HN 0.363 nan 8.190 nan 0.000 0.452 349 L N 0.659 121.903 121.223 0.035 0.000 1.997 349 L HA -0.331 4.009 4.340 -0.000 0.000 0.227 349 L C 3.087 179.972 176.870 0.024 0.000 1.087 349 L CA 2.921 57.771 54.840 0.016 0.000 0.797 349 L CB -0.637 41.421 42.059 -0.001 0.000 0.902 349 L HN 0.496 nan 8.230 nan 0.000 0.441 350 Q N -0.674 119.136 119.800 0.016 0.000 1.967 350 Q HA -0.323 4.017 4.340 -0.000 0.000 0.210 350 Q C 2.190 178.201 176.000 0.018 0.000 1.005 350 Q CA 2.142 57.940 55.803 -0.008 0.000 0.862 350 Q CB -1.567 27.146 28.738 -0.042 0.000 0.939 350 Q HN 0.667 nan 8.270 nan 0.000 0.417 351 H N 0.268 119.322 119.070 -0.028 0.000 2.520 351 H HA 0.076 4.632 4.556 -0.000 0.000 0.295 351 H C 0.270 175.582 175.328 -0.026 0.000 1.096 351 H CA 0.878 56.909 56.048 -0.029 0.000 1.249 351 H CB 0.017 29.761 29.762 -0.030 0.000 1.365 351 H HN 0.202 nan 8.280 nan 0.000 0.556 352 I N -0.935 119.700 120.570 0.109 0.000 2.771 352 I HA 0.187 4.357 4.170 -0.000 0.000 0.291 352 I C -2.426 173.707 176.117 0.027 0.000 1.527 352 I CA -1.863 59.471 61.300 0.058 0.000 1.024 352 I CB 2.059 40.083 38.000 0.040 0.000 1.388 352 I HN -0.210 nan 8.210 nan 0.000 0.447 353 P HA -0.146 nan 4.420 nan 0.000 0.280 353 P C 0.097 177.399 177.300 0.005 0.000 1.304 353 P CA 0.985 64.090 63.100 0.008 0.000 0.892 353 P CB 0.310 32.016 31.700 0.010 0.000 0.795 354 G N -0.114 108.687 108.800 0.001 0.000 2.792 354 G HA2 0.076 4.035 3.960 -0.000 0.000 0.147 354 G HA3 0.076 4.035 3.960 -0.000 0.000 0.147 354 G C 0.726 175.635 174.900 0.014 0.000 1.838 354 G CA 0.368 45.468 45.100 0.000 0.000 0.980 354 G HN 0.501 nan 8.290 nan 0.000 0.436 355 L N -0.373 120.866 121.223 0.027 0.000 2.902 355 L HA 0.302 4.641 4.340 -0.000 0.000 0.254 355 L C 2.452 179.353 176.870 0.051 0.000 1.115 355 L CA 0.435 55.303 54.840 0.046 0.000 0.947 355 L CB -0.182 41.920 42.059 0.073 0.000 1.369 355 L HN 0.530 nan 8.230 nan 0.000 0.538 356 G N 1.737 110.563 108.800 0.045 0.000 2.632 356 G HA2 0.135 4.095 3.960 -0.000 0.000 0.183 356 G HA3 0.135 4.095 3.960 -0.000 0.000 0.183 356 G C 0.831 175.751 174.900 0.033 0.000 1.592 356 G CA 1.742 46.867 45.100 0.042 0.000 0.880 356 G HN 0.220 nan 8.290 nan 0.000 0.399 357 I N -3.660 116.924 120.570 0.023 0.000 3.176 357 I HA 0.239 4.409 4.170 -0.000 0.000 0.264 357 I C -0.157 175.967 176.117 0.013 0.000 1.010 357 I CA 0.298 61.610 61.300 0.020 0.000 1.576 357 I CB 0.042 38.055 38.000 0.022 0.000 2.061 357 I HN 0.467 nan 8.210 nan 0.000 0.334 358 M N 1.429 121.035 119.600 0.010 0.000 5.377 358 M HA 0.508 4.987 4.480 -0.000 0.000 0.625 358 M C -2.287 174.016 176.300 0.004 0.000 2.233 358 M CA 0.131 55.435 55.300 0.006 0.000 0.330 358 M CB -0.726 31.878 32.600 0.006 0.000 3.150 358 M HN 0.307 nan 8.290 nan 0.000 0.680 359 L N 0.788 122.013 121.223 0.004 0.000 2.171 359 L HA 0.783 5.123 4.340 -0.000 0.000 0.253 359 L C -1.745 175.124 176.870 -0.001 0.000 1.054 359 L CA -1.866 52.975 54.840 0.003 0.000 0.927 359 L CB 1.752 43.814 42.059 0.005 0.000 1.513 359 L HN 0.152 nan 8.230 nan 0.000 0.471 360 P HA 0.026 nan 4.420 nan 0.000 0.252 360 P C -0.544 176.753 177.300 -0.006 0.000 1.635 360 P CA 0.280 63.378 63.100 -0.004 0.000 1.206 360 P CB -0.635 31.064 31.700 -0.002 0.000 1.911 361 T N 1.040 115.588 114.554 -0.010 0.000 2.841 361 T HA 0.828 5.178 4.350 -0.000 0.000 0.276 361 T C -2.341 172.344 174.700 -0.025 0.000 1.003 361 T CA -1.417 60.674 62.100 -0.015 0.000 0.995 361 T CB 0.978 69.839 68.868 -0.012 0.000 1.260 361 T HN 0.135 nan 8.240 nan 0.000 0.581 362 P HA 0.712 nan 4.420 nan 0.000 0.292 362 P C -1.550 175.716 177.300 -0.056 0.000 1.313 362 P CA -0.848 62.222 63.100 -0.050 0.000 0.965 362 P CB 1.489 33.148 31.700 -0.068 0.000 1.303 363 S N -0.137 115.530 115.700 -0.056 0.000 3.542 363 S HA -0.047 4.423 4.470 -0.000 0.000 0.793 363 S C 0.213 174.788 174.600 -0.042 0.000 0.495 363 S CA -0.043 58.123 58.200 -0.056 0.000 1.474 363 S CB -1.144 62.014 63.200 -0.071 0.000 0.927 363 S HN 0.763 nan 8.310 nan 0.000 1.064 364 E N 1.239 121.417 120.200 -0.037 0.000 4.205 364 E HA -0.277 4.072 4.350 -0.000 0.000 0.218 364 E C 1.162 177.746 176.600 -0.026 0.000 1.537 364 E CA 1.780 58.162 56.400 -0.030 0.000 2.546 364 E CB -0.617 29.064 29.700 -0.030 0.000 2.138 364 E HN 0.911 nan 8.360 nan 0.000 0.423 365 D N 0.223 120.608 120.400 -0.024 0.000 2.310 365 D HA -0.120 4.520 4.640 -0.000 0.000 0.212 365 D C 0.354 176.642 176.300 -0.021 0.000 0.965 365 D CA 1.484 55.471 54.000 -0.022 0.000 0.879 365 D CB 0.108 40.895 40.800 -0.022 0.000 0.921 365 D HN 0.241 nan 8.370 nan 0.000 0.510 366 Q N -0.609 119.176 119.800 -0.024 0.000 2.281 366 Q HA 0.311 4.651 4.340 -0.000 0.000 0.263 366 Q C -1.685 174.300 176.000 -0.025 0.000 0.989 366 Q CA -0.806 54.984 55.803 -0.022 0.000 0.852 366 Q CB 2.377 31.102 28.738 -0.023 0.000 1.337 366 Q HN 0.212 nan 8.270 nan 0.000 0.418 367 L N 3.056 124.266 121.223 -0.022 0.000 2.638 367 L HA 0.244 4.584 4.340 -0.000 0.000 0.273 367 L C -0.614 176.240 176.870 -0.027 0.000 1.147 367 L CA 1.642 56.468 54.840 -0.024 0.000 0.941 367 L CB -0.544 41.506 42.059 -0.015 0.000 1.251 367 L HN 0.722 nan 8.230 nan 0.000 0.479 368 K N 3.496 123.872 120.400 -0.039 0.000 5.135 368 K HA 0.394 4.714 4.320 -0.000 0.000 0.711 368 K C -0.831 175.732 176.600 -0.062 0.000 0.847 368 K CA -0.423 55.836 56.287 -0.047 0.000 0.989 368 K CB 0.048 32.524 32.500 -0.040 0.000 1.935 368 K HN 0.352 nan 8.250 nan 0.000 0.948 369 I N 0.394 120.925 120.570 -0.065 0.000 5.751 369 I HA -0.161 4.009 4.170 -0.000 0.000 0.126 369 I C 0.164 176.219 176.117 -0.103 0.000 1.816 369 I CA 0.644 61.902 61.300 -0.070 0.000 2.037 369 I CB -1.289 36.674 38.000 -0.061 0.000 3.386 369 I HN 0.837 nan 8.210 nan 0.000 0.169 370 G N 0.927 109.655 108.800 -0.121 0.000 3.146 370 G HA2 0.169 4.129 3.960 -0.000 0.000 0.238 370 G HA3 0.169 4.129 3.960 -0.000 0.000 0.238 370 G C 1.149 175.958 174.900 -0.151 0.000 1.022 370 G CA 0.549 45.530 45.100 -0.198 0.000 0.880 370 G HN 0.653 nan 8.290 nan 0.000 0.533 371 E N 1.319 121.462 120.200 -0.094 0.000 2.661 371 E HA -0.430 3.920 4.350 -0.000 0.000 0.250 371 E C 1.412 177.978 176.600 -0.057 0.000 1.059 371 E CA 2.284 58.646 56.400 -0.063 0.000 1.381 371 E CB -0.682 28.988 29.700 -0.051 0.000 1.255 371 E HN 0.616 nan 8.360 nan 0.000 0.469 372 E N 0.619 120.780 120.200 -0.065 0.000 2.279 372 E HA 0.049 4.399 4.350 -0.000 0.000 0.199 372 E C 1.992 178.556 176.600 -0.060 0.000 0.893 372 E CA 0.289 56.662 56.400 -0.044 0.000 0.978 372 E CB -0.046 29.637 29.700 -0.028 0.000 0.964 372 E HN 0.263 nan 8.360 nan 0.000 0.486 373 K N 1.996 122.329 120.400 -0.112 0.000 2.304 373 K HA -0.188 4.132 4.320 -0.000 0.000 0.204 373 K C 2.227 178.685 176.600 -0.237 0.000 1.044 373 K CA 1.182 57.353 56.287 -0.193 0.000 0.932 373 K CB -0.360 31.927 32.500 -0.356 0.000 0.735 373 K HN 0.203 nan 8.250 nan 0.000 0.468 374 I N 1.777 122.235 120.570 -0.187 0.000 2.052 374 I HA -0.287 3.883 4.170 -0.000 0.000 0.235 374 I C 1.357 177.500 176.117 0.044 0.000 1.046 374 I CA 1.723 62.957 61.300 -0.111 0.000 1.308 374 I CB -0.352 37.607 38.000 -0.068 0.000 1.031 374 I HN 0.192 nan 8.210 nan 0.000 0.395 375 R N 0.758 121.286 120.500 0.045 0.000 2.808 375 R HA -0.038 4.302 4.340 -0.000 0.000 0.215 375 R C 1.238 177.615 176.300 0.128 0.000 1.569 375 R CA 0.093 56.245 56.100 0.086 0.000 1.396 375 R CB 0.037 30.370 30.300 0.055 0.000 1.048 375 R HN 0.526 nan 8.270 nan 0.000 0.501 376 R N -1.741 118.875 120.500 0.194 0.000 2.493 376 R HA 0.018 4.358 4.340 -0.000 0.000 0.177 376 R C 1.721 178.306 176.300 0.475 0.000 0.861 376 R CA 0.164 56.433 56.100 0.281 0.000 1.083 376 R CB -0.600 29.863 30.300 0.271 0.000 1.328 376 R HN 0.326 nan 8.270 nan 0.000 0.615 377 W N 2.209 123.564 121.300 0.090 0.000 2.305 377 W HA -0.230 4.429 4.660 -0.000 0.000 0.308 377 W C 2.106 178.668 176.519 0.071 0.000 1.226 377 W CA 0.728 58.132 57.345 0.097 0.000 1.253 377 W CB -0.154 29.367 29.460 0.102 0.000 1.146 377 W HN 0.082 nan 8.180 nan 0.000 0.507 378 L N 0.524 121.961 121.223 0.357 0.000 1.970 378 L HA -0.268 4.072 4.340 -0.000 0.000 0.212 378 L C 2.639 179.595 176.870 0.143 0.000 1.071 378 L CA 2.128 57.120 54.840 0.254 0.000 0.751 378 L CB -1.107 41.094 42.059 0.236 0.000 0.889 378 L HN 0.014 nan 8.230 nan 0.000 0.432 379 A N -0.087 122.819 122.820 0.143 0.000 1.826 379 A HA -0.447 3.872 4.320 -0.000 0.000 0.267 379 A C 1.992 179.592 177.584 0.027 0.000 2.510 379 A CA 3.190 55.279 52.037 0.087 0.000 0.865 379 A CB -1.710 17.352 19.000 0.103 0.000 0.830 379 A HN 0.702 nan 8.150 nan 0.000 0.508 380 A N -1.973 120.848 122.820 0.001 0.000 3.344 380 A HA 0.321 4.640 4.320 -0.000 0.000 0.147 380 A C 1.692 179.201 177.584 -0.125 0.000 1.021 380 A CA 1.403 53.404 52.037 -0.059 0.000 1.079 380 A CB -1.007 17.944 19.000 -0.081 0.000 0.957 380 A HN 1.531 nan 8.150 nan 0.000 0.543 381 L N -1.596 119.515 121.223 -0.187 0.000 3.676 381 L HA -0.468 3.872 4.340 -0.000 0.000 0.053 381 L C 1.817 178.471 176.870 -0.360 0.000 4.206 381 L CA 2.051 56.678 54.840 -0.354 0.000 0.845 381 L CB -2.054 39.670 42.059 -0.559 0.000 3.418 381 L HN 0.881 nan 8.230 nan 0.000 0.773 382 N N 0.587 119.049 118.700 -0.397 0.000 2.588 382 N HA -0.109 4.631 4.740 -0.000 0.000 0.190 382 N C 0.999 176.441 175.510 -0.113 0.000 1.094 382 N CA 1.560 54.470 53.050 -0.232 0.000 0.921 382 N CB -0.335 38.076 38.487 -0.126 0.000 0.959 382 N HN 0.550 nan 8.380 nan 0.000 0.448 383 S N -0.105 115.529 115.700 -0.109 0.000 2.618 383 S HA 0.329 4.799 4.470 -0.000 0.000 0.242 383 S C 0.072 174.635 174.600 -0.063 0.000 0.972 383 S CA -0.303 57.859 58.200 -0.063 0.000 1.004 383 S CB -0.209 62.962 63.200 -0.048 0.000 0.778 383 S HN 0.295 nan 8.310 nan 0.000 0.459 384 M N -0.004 119.551 119.600 -0.075 0.000 2.471 384 M HA 0.239 4.719 4.480 -0.000 0.000 0.284 384 M C -0.178 176.112 176.300 -0.016 0.000 1.203 384 M CA -0.336 54.933 55.300 -0.052 0.000 0.915 384 M CB 1.680 34.236 32.600 -0.073 0.000 1.734 384 M HN -0.082 nan 8.290 nan 0.000 0.485 385 T N 0.287 114.849 114.554 0.014 0.000 2.791 385 T HA 0.103 4.453 4.350 -0.000 0.000 0.323 385 T C 0.706 175.487 174.700 0.135 0.000 1.082 385 T CA 0.599 62.740 62.100 0.069 0.000 1.084 385 T CB 0.360 69.252 68.868 0.039 0.000 0.992 385 T HN 0.459 nan 8.240 nan 0.000 0.547 386 Y N 2.150 122.429 120.300 -0.035 0.000 2.026 386 Y HA -0.125 4.425 4.550 -0.000 0.000 0.253 386 Y C 2.640 178.528 175.900 -0.020 0.000 1.098 386 Y CA 2.077 60.164 58.100 -0.023 0.000 1.074 386 Y CB -0.980 37.478 38.460 -0.004 0.000 0.971 386 Y HN 0.750 nan 8.280 nan 0.000 0.482 387 K N 0.144 120.665 120.400 0.202 0.000 2.159 387 K HA -0.408 3.912 4.320 -0.000 0.000 0.217 387 K C 1.917 178.548 176.600 0.052 0.000 1.048 387 K CA 2.444 58.790 56.287 0.099 0.000 0.941 387 K CB -0.377 32.163 32.500 0.066 0.000 0.738 387 K HN 0.457 nan 8.250 nan 0.000 0.469 388 E N -0.017 120.206 120.200 0.038 0.000 2.119 388 E HA -0.256 4.094 4.350 -0.000 0.000 0.221 388 E C 1.762 178.360 176.600 -0.003 0.000 1.062 388 E CA 2.408 58.812 56.400 0.007 0.000 0.894 388 E CB -0.354 29.340 29.700 -0.010 0.000 0.785 388 E HN 0.472 nan 8.360 nan 0.000 0.472 389 L N 0.029 121.242 121.223 -0.017 0.000 2.633 389 L HA -0.028 4.312 4.340 -0.000 0.000 0.235 389 L C 1.510 178.377 176.870 -0.006 0.000 1.163 389 L CA 0.395 55.218 54.840 -0.027 0.000 0.859 389 L CB -0.350 41.676 42.059 -0.056 0.000 0.973 389 L HN -0.022 nan 8.230 nan 0.000 0.451 390 E N 0.205 120.411 120.200 0.010 0.000 2.162 390 E HA 0.018 4.368 4.350 -0.000 0.000 0.193 390 E C 0.867 177.478 176.600 0.019 0.000 0.953 390 E CA 0.478 56.889 56.400 0.018 0.000 0.849 390 E CB -0.010 29.710 29.700 0.033 0.000 0.810 390 E HN 0.272 nan 8.360 nan 0.000 0.470 391 N N 1.320 120.030 118.700 0.018 0.000 3.194 391 N HA 0.141 4.881 4.740 -0.000 0.000 0.271 391 N C -2.466 173.052 175.510 0.013 0.000 1.308 391 N CA -1.764 51.295 53.050 0.016 0.000 1.042 391 N CB 0.788 39.284 38.487 0.015 0.000 1.310 391 N HN -0.187 nan 8.380 nan 0.000 0.502 392 P HA 0.138 nan 4.420 nan 0.000 0.269 392 P C -0.899 176.416 177.300 0.025 0.000 1.601 392 P CA 0.291 63.405 63.100 0.023 0.000 0.831 392 P CB -0.432 31.290 31.700 0.037 0.000 1.688 393 N N 0.932 119.641 118.700 0.015 0.000 2.636 393 N HA 0.187 4.926 4.740 -0.000 0.000 0.287 393 N C 0.187 175.700 175.510 0.004 0.000 1.817 393 N CA -0.121 52.936 53.050 0.011 0.000 0.842 393 N CB 0.482 38.978 38.487 0.015 0.000 1.353 393 N HN 0.242 nan 8.380 nan 0.000 0.500 394 I N -3.190 117.379 120.570 -0.001 0.000 3.439 394 I HA 0.335 4.505 4.170 -0.000 0.000 0.321 394 I C -0.986 175.124 176.117 -0.011 0.000 1.435 394 I CA -0.401 60.897 61.300 -0.004 0.000 0.914 394 I CB -0.159 37.840 38.000 -0.001 0.000 1.807 394 I HN -0.210 nan 8.210 nan 0.000 0.681 395 I N 3.813 124.373 120.570 -0.016 0.000 2.204 395 I HA 0.143 4.313 4.170 -0.000 0.000 0.291 395 I C 0.249 176.347 176.117 -0.031 0.000 1.153 395 I CA -0.104 61.180 61.300 -0.026 0.000 1.546 395 I CB -0.793 37.187 38.000 -0.033 0.000 1.490 395 I HN 0.218 nan 8.210 nan 0.000 0.697 396 D N 3.289 123.673 120.400 -0.025 0.000 2.399 396 D HA 0.005 4.645 4.640 -0.000 0.000 0.241 396 D C 1.270 177.551 176.300 -0.031 0.000 1.133 396 D CA -0.500 53.485 54.000 -0.025 0.000 0.890 396 D CB 0.897 41.685 40.800 -0.019 0.000 1.201 396 D HN 0.484 nan 8.370 nan 0.000 0.432 397 K N 1.212 121.593 120.400 -0.032 0.000 2.077 397 K HA -0.282 4.038 4.320 -0.000 0.000 0.213 397 K C 1.572 178.154 176.600 -0.030 0.000 1.051 397 K CA 1.633 57.899 56.287 -0.034 0.000 0.929 397 K CB -0.721 31.761 32.500 -0.030 0.000 0.715 397 K HN 0.315 nan 8.250 nan 0.000 0.451 398 S N 1.698 117.383 115.700 -0.024 0.000 2.523 398 S HA -0.164 4.306 4.470 -0.000 0.000 0.226 398 S C 0.727 175.313 174.600 -0.023 0.000 1.062 398 S CA 1.185 59.373 58.200 -0.021 0.000 1.207 398 S CB -0.521 62.669 63.200 -0.017 0.000 1.151 398 S HN 0.363 nan 8.310 nan 0.000 0.408 399 R N 2.398 122.885 120.500 -0.021 0.000 2.637 399 R HA 0.072 4.412 4.340 -0.000 0.000 0.331 399 R C 0.828 177.111 176.300 -0.029 0.000 1.166 399 R CA 0.640 56.726 56.100 -0.022 0.000 0.993 399 R CB -0.496 29.792 30.300 -0.019 0.000 1.012 399 R HN 0.619 nan 8.270 nan 0.000 0.461 400 M N -0.135 119.446 119.600 -0.031 0.000 1.395 400 M HA -0.164 4.316 4.480 -0.000 0.000 0.207 400 M C 0.172 176.449 176.300 -0.038 0.000 0.862 400 M CA 0.515 55.792 55.300 -0.040 0.000 0.806 400 M CB -0.479 32.092 32.600 -0.049 0.000 1.831 400 M HN 0.418 nan 8.290 nan 0.000 0.743 401 R N 1.510 121.990 120.500 -0.034 0.000 2.139 401 R HA -0.102 4.238 4.340 -0.000 0.000 0.243 401 R C 2.321 178.607 176.300 -0.024 0.000 1.145 401 R CA 2.246 58.328 56.100 -0.029 0.000 0.976 401 R CB -0.713 29.572 30.300 -0.025 0.000 0.866 401 R HN 0.612 nan 8.270 nan 0.000 0.449 402 R N 1.633 122.120 120.500 -0.022 0.000 2.075 402 R HA -0.120 4.220 4.340 -0.000 0.000 0.232 402 R C 2.063 178.350 176.300 -0.020 0.000 1.126 402 R CA 1.526 57.615 56.100 -0.019 0.000 0.963 402 R CB -0.287 30.003 30.300 -0.018 0.000 0.858 402 R HN 0.211 nan 8.270 nan 0.000 0.435 403 I N 1.550 122.103 120.570 -0.027 0.000 2.179 403 I HA -0.214 3.955 4.170 -0.000 0.000 0.242 403 I C 2.808 178.909 176.117 -0.026 0.000 1.088 403 I CA 1.186 62.468 61.300 -0.031 0.000 1.357 403 I CB -0.668 37.305 38.000 -0.045 0.000 1.051 403 I HN 0.278 nan 8.210 nan 0.000 0.409 404 A N 1.911 124.714 122.820 -0.029 0.000 1.863 404 A HA -0.316 4.004 4.320 -0.000 0.000 0.218 404 A C 2.296 179.874 177.584 -0.010 0.000 1.233 404 A CA 2.689 54.712 52.037 -0.023 0.000 0.655 404 A CB -1.043 17.941 19.000 -0.027 0.000 0.839 404 A HN 0.667 nan 8.150 nan 0.000 0.454 405 E N -1.082 119.112 120.200 -0.010 0.000 2.046 405 E HA 0.023 4.373 4.350 -0.000 0.000 0.190 405 E C 2.076 178.674 176.600 -0.003 0.000 0.982 405 E CA 0.892 57.289 56.400 -0.004 0.000 0.800 405 E CB -0.937 28.760 29.700 -0.005 0.000 0.756 405 E HN 0.442 nan 8.360 nan 0.000 0.449 406 G N 1.606 110.402 108.800 -0.008 0.000 2.507 406 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.221 406 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.221 406 G C 1.816 176.714 174.900 -0.004 0.000 1.119 406 G CA 1.501 46.597 45.100 -0.007 0.000 0.751 406 G HN 0.477 nan 8.290 nan 0.000 0.574 407 S N -1.271 114.426 115.700 -0.004 0.000 2.524 407 S HA 0.394 4.863 4.470 -0.000 0.000 0.216 407 S C 1.852 176.461 174.600 0.016 0.000 0.987 407 S CA 0.909 59.112 58.200 0.005 0.000 0.909 407 S CB 0.231 63.432 63.200 0.001 0.000 0.781 407 S HN 1.584 nan 8.310 nan 0.000 0.521 408 G N 0.837 109.644 108.800 0.012 0.000 2.175 408 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.244 408 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.244 408 G C -0.135 174.778 174.900 0.021 0.000 0.982 408 G CA 0.103 45.213 45.100 0.016 0.000 0.641 408 G HN 0.514 nan 8.290 nan 0.000 0.527 409 L N 1.541 122.777 121.223 0.022 0.000 2.257 409 L HA 0.390 4.730 4.340 -0.000 0.000 0.290 409 L C 0.779 177.658 176.870 0.015 0.000 1.044 409 L CA -0.892 53.966 54.840 0.029 0.000 0.810 409 L CB 1.411 43.498 42.059 0.047 0.000 1.193 409 L HN 0.149 nan 8.230 nan 0.000 0.425 410 E N 3.313 123.522 120.200 0.016 0.000 2.585 410 E HA -0.022 4.327 4.350 -0.000 0.000 0.252 410 E C 0.942 177.541 176.600 -0.001 0.000 0.981 410 E CA 0.118 56.522 56.400 0.007 0.000 0.943 410 E CB 0.777 30.483 29.700 0.010 0.000 0.923 410 E HN 0.426 nan 8.360 nan 0.000 0.486 411 V N 6.298 126.204 119.914 -0.013 0.000 2.409 411 V HA -0.504 3.616 4.120 -0.000 0.000 0.212 411 V C 1.929 178.001 176.094 -0.035 0.000 0.908 411 V CA 2.652 64.934 62.300 -0.029 0.000 1.074 411 V CB -1.406 30.398 31.823 -0.030 0.000 0.817 411 V HN 0.974 nan 8.190 nan 0.000 0.537 412 E N -0.807 119.371 120.200 -0.037 0.000 2.884 412 E HA -0.470 3.879 4.350 -0.000 0.000 0.224 412 E C 1.677 178.246 176.600 -0.051 0.000 0.921 412 E CA 2.366 58.741 56.400 -0.041 0.000 1.498 412 E CB -0.793 28.899 29.700 -0.012 0.000 1.476 412 E HN 0.836 nan 8.360 nan 0.000 0.464 413 E N 0.135 120.335 120.200 0.000 0.000 2.276 413 E HA -0.277 4.072 4.350 -0.000 0.000 0.226 413 E C 2.035 178.600 176.600 -0.059 0.000 1.090 413 E CA 2.315 58.746 56.400 0.050 0.000 0.930 413 E CB -0.492 29.268 29.700 0.101 0.000 0.791 413 E HN 0.322 nan 8.360 nan 0.000 0.467 414 V N -0.011 119.828 119.914 -0.125 0.000 2.232 414 V HA -0.214 3.906 4.120 -0.000 0.000 0.239 414 V C 2.319 178.220 176.094 -0.322 0.000 1.040 414 V CA 1.890 64.050 62.300 -0.233 0.000 0.996 414 V CB -0.641 31.089 31.823 -0.155 0.000 0.638 414 V HN 0.165 nan 8.190 nan 0.000 0.453 415 R N 0.309 120.664 120.500 -0.242 0.000 2.159 415 R HA -0.231 4.109 4.340 -0.000 0.000 0.252 415 R C 1.535 177.570 176.300 -0.443 0.000 1.144 415 R CA 1.960 57.894 56.100 -0.277 0.000 0.961 415 R CB -0.409 29.779 30.300 -0.187 0.000 0.877 415 R HN 0.623 nan 8.270 nan 0.000 0.444 416 E N 0.644 120.614 120.200 -0.384 0.000 3.187 416 E HA -0.083 4.266 4.350 -0.000 0.000 0.297 416 E C 0.159 176.314 176.600 -0.743 0.000 1.515 416 E CA 0.241 56.349 56.400 -0.487 0.000 1.641 416 E CB -0.030 29.562 29.700 -0.179 0.000 1.314 416 E HN 0.317 nan 8.360 nan 0.000 0.462 417 L N -4.958 115.573 121.223 -1.153 0.000 1.728 417 L HA -0.010 4.329 4.340 -0.000 0.000 0.193 417 L C 1.210 176.770 176.870 -2.183 0.000 1.247 417 L CA 0.054 54.013 54.840 -1.469 0.000 1.304 417 L CB -0.636 40.651 42.059 -1.286 0.000 2.616 417 L HN 0.076 nan 8.230 nan 0.000 0.504 418 L N 0.939 121.350 121.223 -1.353 0.000 2.171 418 L HA -0.275 4.065 4.340 -0.000 0.000 0.216 418 L C 2.254 178.684 176.870 -0.734 0.000 1.084 418 L CA 2.316 56.645 54.840 -0.851 0.000 0.771 418 L CB -0.840 40.997 42.059 -0.369 0.000 0.890 418 L HN 0.538 nan 8.230 nan 0.000 0.437 419 E N -1.417 118.356 120.200 -0.712 0.000 2.190 419 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 419 E C 1.617 178.366 176.600 0.249 0.000 0.978 419 E CA 0.624 56.922 56.400 -0.170 0.000 0.839 419 E CB -0.379 29.262 29.700 -0.097 0.000 0.787 419 E HN 0.501 nan 8.360 nan 0.000 0.473 420 W N 0.311 121.387 121.300 -0.373 0.000 3.109 420 W HA -0.073 4.586 4.660 -0.000 0.000 0.242 420 W C 0.277 177.043 176.519 0.411 0.000 1.318 420 W CA -0.298 57.064 57.345 0.028 0.000 1.491 420 W CB 0.008 29.594 29.460 0.209 0.000 1.120 420 W HN 0.172 nan 8.180 nan 0.000 0.715 421 Y N -2.005 118.478 120.300 0.304 0.000 2.846 421 Y HA 0.097 4.647 4.550 -0.000 0.000 0.258 421 Y C 1.899 177.871 175.900 0.121 0.000 1.077 421 Y CA -0.468 57.729 58.100 0.162 0.000 1.270 421 Y CB -1.160 37.334 38.460 0.057 0.000 1.476 421 Y HN -0.158 nan 8.280 nan 0.000 0.460 422 N N 0.645 119.500 118.700 0.258 0.000 2.467 422 N HA -0.063 4.676 4.740 -0.000 0.000 0.184 422 N C 1.054 176.648 175.510 0.140 0.000 1.106 422 N CA 0.504 53.646 53.050 0.155 0.000 0.892 422 N CB 0.169 38.712 38.487 0.094 0.000 0.969 422 N HN 0.341 nan 8.380 nan 0.000 0.454 423 N N 0.695 119.505 118.700 0.184 0.000 2.499 423 N HA 0.031 4.770 4.740 -0.000 0.000 0.182 423 N C 1.634 177.221 175.510 0.129 0.000 1.034 423 N CA 0.116 53.255 53.050 0.148 0.000 0.882 423 N CB 0.072 38.665 38.487 0.176 0.000 1.125 423 N HN -0.013 nan 8.380 nan 0.000 0.436 424 M N 2.785 122.489 119.600 0.174 0.000 2.706 424 M HA -0.297 4.183 4.480 -0.000 0.000 0.266 424 M C 1.428 177.788 176.300 0.100 0.000 1.060 424 M CA 2.388 57.773 55.300 0.140 0.000 1.070 424 M CB -1.576 31.144 32.600 0.200 0.000 1.241 424 M HN 0.338 nan 8.290 nan 0.000 0.488 425 N N -0.718 118.047 118.700 0.108 0.000 2.053 425 N HA -0.347 4.393 4.740 -0.000 0.000 0.200 425 N C 1.804 177.351 175.510 0.062 0.000 1.041 425 N CA 1.775 54.872 53.050 0.077 0.000 0.882 425 N CB -0.714 37.821 38.487 0.080 0.000 1.080 425 N HN 0.383 nan 8.380 nan 0.000 0.481 426 R N 0.317 120.857 120.500 0.066 0.000 2.290 426 R HA -0.237 4.103 4.340 -0.000 0.000 0.232 426 R C 2.160 178.484 176.300 0.040 0.000 1.110 426 R CA 2.368 58.500 56.100 0.052 0.000 0.871 426 R CB -0.967 29.369 30.300 0.060 0.000 0.964 426 R HN 0.311 nan 8.270 nan 0.000 0.410 427 L N -0.168 121.079 121.223 0.040 0.000 1.961 427 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 427 L C 2.243 179.129 176.870 0.027 0.000 1.075 427 L CA 1.601 56.456 54.840 0.026 0.000 0.749 427 L CB -1.539 40.532 42.059 0.019 0.000 0.890 427 L HN 0.364 nan 8.230 nan 0.000 0.433 428 L N 1.362 122.605 121.223 0.034 0.000 2.054 428 L HA -0.333 4.007 4.340 -0.000 0.000 0.240 428 L C 2.402 179.288 176.870 0.027 0.000 1.107 428 L CA 2.880 57.740 54.840 0.033 0.000 0.833 428 L CB -1.340 40.747 42.059 0.047 0.000 0.929 428 L HN 0.706 nan 8.230 nan 0.000 0.447 429 K N -0.388 120.030 120.400 0.030 0.000 2.589 429 K HA -0.214 4.106 4.320 -0.000 0.000 0.195 429 K C 0.883 177.494 176.600 0.019 0.000 1.042 429 K CA 0.764 57.065 56.287 0.024 0.000 0.940 429 K CB -0.607 31.910 32.500 0.027 0.000 0.776 429 K HN 0.272 nan 8.250 nan 0.000 0.487 430 M N 2.563 122.174 119.600 0.018 0.000 3.593 430 M HA 0.055 4.535 4.480 -0.000 0.000 0.204 430 M C -1.169 175.138 176.300 0.010 0.000 1.569 430 M CA -0.745 54.563 55.300 0.014 0.000 1.694 430 M CB -0.113 32.495 32.600 0.013 0.000 1.149 430 M HN -0.127 nan 8.290 nan 0.000 0.552 431 V N 4.309 124.229 119.914 0.010 0.000 2.304 431 V HA 0.240 4.360 4.120 -0.000 0.000 0.262 431 V C 0.589 176.687 176.094 0.006 0.000 1.061 431 V CA -0.603 61.701 62.300 0.007 0.000 0.872 431 V CB -0.325 31.502 31.823 0.006 0.000 1.077 431 V HN 0.819 nan 8.190 nan 0.000 0.480 432 K N 0.000 120.403 120.400 0.006 0.000 2.780 432 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 432 K CA 0.000 56.290 56.287 0.005 0.000 0.838 432 K CB 0.000 32.502 32.500 0.004 0.000 1.064 432 K HN 0.000 nan 8.250 nan 0.000 0.543