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 1fur_1_A DATA FIRST_RESID 4 DATA SEQUENCE VRSEKDSMGA IDVPADKLWG AQTQRSLEHF RISTEKMPTS LIHALALTKR DATA SEQUENCE AAAKVNEDLG LLSEEKASAI RQAADEVLAG QHDDEFPLAI WQTGSGTQSN DATA SEQUENCE MNMNEVLANR ASELLGGVRG MERKVHPNDD VNKSQSSNDV FPTAMHVAAL DATA SEQUENCE LALRKQLIPQ LKTLTQTLNE KSRAFADIVK IGRTNLQDAT PLTLGQEISG DATA SEQUENCE WVAMLEHNLK HIEYSLPHVA ELALGGTAVG TGLNTHPEYA RRVADELAVI DATA SEQUENCE TCAPFVTAPN KFEALATCDA LVQAHGALKG LAASLMKIAN DVRWLASGPR DATA SEQUENCE CGIGEISIPE NEPGSSIMPG KVNPTQCEAL TMLCCQVMGN DVAINMGGAS DATA SEQUENCE GNFELNVFRP MVIHNFLQSV RLLADGMESF NKHCAVGIEP NRERINQLLN DATA SEQUENCE ESLMLVTALN THIGYDKAAE IAKKAHKEGL TLKAAALALG YLSEAEFDSW DATA SEQUENCE VRPEQM VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.065 176.094 -0.048 0.000 1.182 4 V CA 0.000 62.272 62.300 -0.047 0.000 1.235 4 V CB 0.000 31.806 31.823 -0.028 0.000 1.184 5 R N -0.149 120.319 120.500 -0.055 0.000 2.837 5 R HA 0.426 nan 4.340 nan 0.000 0.271 5 R C -2.349 173.932 176.300 -0.031 0.000 0.993 5 R CA -1.710 54.361 56.100 -0.049 0.000 0.931 5 R CB 4.341 34.598 30.300 -0.073 0.000 1.206 5 R HN 0.935 9.169 8.270 -0.060 0.000 0.474 6 S N 2.091 117.779 115.700 -0.020 0.000 2.448 6 S HA 0.456 nan 4.470 nan 0.000 0.320 6 S C -1.038 173.562 174.600 0.000 0.000 1.071 6 S CA -0.732 57.465 58.200 -0.005 0.000 1.113 6 S CB 0.430 63.629 63.200 -0.001 0.000 0.972 6 S HN 0.397 8.694 8.310 -0.022 0.000 0.465 7 E N 7.272 127.479 120.200 0.012 0.000 2.249 7 E HA 0.627 nan 4.350 nan 0.000 0.263 7 E C -1.956 174.663 176.600 0.032 0.000 0.950 7 E CA -1.546 54.867 56.400 0.021 0.000 0.827 7 E CB 4.070 33.789 29.700 0.032 0.000 1.220 7 E HN 0.272 8.643 8.360 0.018 0.000 0.411 8 K N -1.748 118.673 120.400 0.036 0.000 2.522 8 K HA 0.725 nan 4.320 nan 0.000 0.275 8 K C -2.066 174.559 176.600 0.042 0.000 1.006 8 K CA -1.269 55.040 56.287 0.037 0.000 0.890 8 K CB 3.295 35.812 32.500 0.029 0.000 1.475 8 K HN -0.161 8.110 8.250 0.036 0.000 0.441 9 D N -2.496 117.927 120.400 0.040 0.000 2.921 9 D HA 0.249 nan 4.640 nan 0.000 0.329 9 D C 1.002 177.321 176.300 0.032 0.000 1.293 9 D CA -0.973 53.051 54.000 0.039 0.000 0.964 9 D CB 1.327 42.154 40.800 0.045 0.000 1.435 9 D HN 0.368 8.654 8.370 0.037 0.107 0.548 10 S N -2.039 113.678 115.700 0.029 0.000 2.500 10 S HA -0.209 nan 4.470 nan 0.000 0.239 10 S C 0.759 175.373 174.600 0.023 0.000 0.989 10 S CA 2.941 61.154 58.200 0.022 0.000 0.951 10 S CB -0.219 62.992 63.200 0.018 0.000 0.759 10 S HN 0.154 8.482 8.310 0.030 0.000 0.523 11 M N -0.886 118.732 119.600 0.030 0.000 2.428 11 M HA 0.024 nan 4.480 nan 0.000 0.239 11 M C 0.089 176.407 176.300 0.030 0.000 1.121 11 M CA 0.377 55.696 55.300 0.031 0.000 1.019 11 M CB 0.968 33.594 32.600 0.043 0.000 1.485 11 M HN -0.396 8.143 8.290 0.035 -0.228 0.484 12 G N -2.408 106.410 108.800 0.029 0.000 2.352 12 G HA2 -0.187 nan 3.960 nan 0.000 0.324 12 G HA3 -0.187 nan 3.960 nan 0.000 0.324 12 G C -2.787 172.130 174.900 0.029 0.000 1.249 12 G CA -0.807 44.308 45.100 0.026 0.000 1.053 12 G HN -0.460 7.738 8.290 0.030 0.111 0.492 13 A N -0.450 122.385 122.820 0.025 0.000 2.282 13 A HA 1.028 nan 4.320 nan 0.000 0.319 13 A C -1.160 176.441 177.584 0.028 0.000 1.121 13 A CA -1.177 50.875 52.037 0.026 0.000 0.836 13 A CB 1.785 20.797 19.000 0.019 0.000 1.146 13 A HN 0.182 8.345 8.150 0.022 0.000 0.494 14 I N -0.633 119.955 120.570 0.031 0.000 2.775 14 I HA 0.211 nan 4.170 nan 0.000 0.295 14 I C -2.591 173.546 176.117 0.033 0.000 1.287 14 I CA -1.325 59.995 61.300 0.032 0.000 1.029 14 I CB 4.304 42.328 38.000 0.040 0.000 1.282 14 I HN 0.866 9.094 8.210 0.031 0.000 0.426 15 D N 7.328 127.745 120.400 0.028 0.000 2.308 15 D HA 0.500 nan 4.640 nan 0.000 0.251 15 D C -0.541 175.783 176.300 0.040 0.000 1.127 15 D CA 0.035 54.047 54.000 0.020 0.000 0.876 15 D CB 0.183 40.990 40.800 0.010 0.000 1.176 15 D HN -0.109 8.276 8.370 0.024 0.000 0.446 16 V N -2.433 117.489 119.914 0.013 0.000 2.680 16 V HA 0.639 nan 4.120 nan 0.000 0.309 16 V C -2.399 173.630 176.094 -0.107 0.000 1.052 16 V CA -4.523 57.779 62.300 0.003 0.000 0.908 16 V CB 2.574 34.380 31.823 -0.029 0.000 1.001 16 V HN 0.680 8.753 8.190 -0.013 0.109 0.431 17 P HA 0.003 nan 4.420 nan 0.000 0.263 17 P C 0.102 177.248 177.300 -0.255 0.000 1.195 17 P CA 0.108 63.096 63.100 -0.187 0.000 0.762 17 P CB 0.688 32.269 31.700 -0.199 0.000 0.799 18 A N 5.823 128.544 122.820 -0.165 0.000 1.948 18 A HA -0.289 nan 4.320 nan 0.000 0.220 18 A C 1.123 178.601 177.584 -0.177 0.000 1.177 18 A CA 2.967 54.913 52.037 -0.151 0.000 0.636 18 A CB -0.796 18.146 19.000 -0.096 0.000 0.815 18 A HN 0.461 8.539 8.150 -0.121 0.000 0.449 19 D N -6.788 113.504 120.400 -0.181 0.000 2.323 19 D HA -0.055 nan 4.640 nan 0.000 0.239 19 D C -0.068 176.081 176.300 -0.251 0.000 1.129 19 D CA 0.140 54.039 54.000 -0.169 0.000 0.865 19 D CB -0.934 39.796 40.800 -0.117 0.000 0.913 19 D HN 0.129 8.373 8.370 -0.168 0.026 0.517 20 K N -1.115 119.042 120.400 -0.405 0.000 2.259 20 K HA 0.412 nan 4.320 nan 0.000 0.249 20 K C -1.047 175.247 176.600 -0.510 0.000 0.942 20 K CA -2.176 53.737 56.287 -0.624 0.000 0.816 20 K CB 2.819 34.498 32.500 -1.368 0.000 1.155 20 K HN -0.378 7.538 8.250 -0.397 0.096 0.428 21 L N 0.875 121.863 121.223 -0.393 0.000 2.567 21 L HA 0.084 nan 4.340 nan 0.000 0.225 21 L C -1.050 175.733 176.870 -0.145 0.000 1.119 21 L CA 0.621 55.314 54.840 -0.245 0.000 0.871 21 L CB 0.502 42.428 42.059 -0.221 0.000 1.036 21 L HN 0.420 8.926 8.230 -0.366 -0.496 0.459 22 W N -4.372 116.838 121.300 -0.150 0.000 2.030 22 W HA 0.087 nan 4.660 nan 0.000 0.360 22 W C -1.471 175.001 176.519 -0.078 0.000 1.370 22 W CA -1.364 55.904 57.345 -0.129 0.000 1.433 22 W CB 0.359 29.735 29.460 -0.139 0.000 1.204 22 W HN -0.885 6.980 8.180 -0.444 0.048 0.649 23 G N -4.107 104.893 108.800 0.334 0.000 2.990 23 G HA2 0.323 nan 3.960 nan 0.000 0.208 23 G HA3 0.323 nan 3.960 nan 0.000 0.208 23 G C -1.045 173.996 174.900 0.235 0.000 1.334 23 G CA -1.922 43.302 45.100 0.206 0.000 1.024 23 G HN -0.155 8.541 8.290 0.323 -0.212 0.574 24 A N -0.358 122.541 122.820 0.132 0.000 1.883 24 A HA -0.304 nan 4.320 nan 0.000 0.217 24 A C 2.303 179.940 177.584 0.088 0.000 1.186 24 A CA 3.229 55.328 52.037 0.105 0.000 0.624 24 A CB -0.225 18.818 19.000 0.072 0.000 0.822 24 A HN 0.451 8.661 8.150 0.101 0.000 0.444 25 Q N -3.142 116.702 119.800 0.074 0.000 2.124 25 Q HA -0.353 nan 4.340 nan 0.000 0.202 25 Q C 2.627 178.638 176.000 0.018 0.000 0.977 25 Q CA 3.405 59.240 55.803 0.053 0.000 0.850 25 Q CB -0.047 28.719 28.738 0.045 0.000 0.901 25 Q HN -0.184 8.349 8.270 0.077 -0.217 0.429 26 T N 2.667 117.213 114.554 -0.014 0.000 2.821 26 T HA -0.257 nan 4.350 nan 0.000 0.267 26 T C 2.063 176.616 174.700 -0.245 0.000 1.046 26 T CA 4.550 66.544 62.100 -0.176 0.000 1.139 26 T CB -0.657 68.028 68.868 -0.304 0.000 0.871 26 T HN -0.535 7.959 8.240 0.040 -0.230 0.454 27 Q N 1.726 121.481 119.800 -0.076 0.000 2.119 27 Q HA -0.270 nan 4.340 nan 0.000 0.201 27 Q C 2.074 178.043 176.000 -0.050 0.000 0.972 27 Q CA 2.800 58.607 55.803 0.007 0.000 0.847 27 Q CB -0.498 28.357 28.738 0.195 0.000 0.903 27 Q HN -0.299 8.007 8.270 0.061 0.000 0.433 28 R N -0.584 119.900 120.500 -0.027 0.000 2.081 28 R HA -0.330 nan 4.340 nan 0.000 0.235 28 R C 2.634 178.875 176.300 -0.097 0.000 1.131 28 R CA 3.377 59.434 56.100 -0.072 0.000 0.960 28 R CB 0.040 30.389 30.300 0.080 0.000 0.856 28 R HN 0.013 8.293 8.270 0.016 0.000 0.436 29 S N 0.594 116.332 115.700 0.062 0.000 2.383 29 S HA -0.298 nan 4.470 nan 0.000 0.227 29 S C 1.891 176.563 174.600 0.121 0.000 1.026 29 S CA 3.179 61.510 58.200 0.218 0.000 0.981 29 S CB -0.123 63.149 63.200 0.119 0.000 0.818 29 S HN -0.407 7.924 8.310 0.035 0.000 0.472 30 L N 1.037 122.228 121.223 -0.054 0.000 2.127 30 L HA -0.316 nan 4.340 nan 0.000 0.211 30 L C 1.141 177.971 176.870 -0.066 0.000 1.089 30 L CA 3.093 57.880 54.840 -0.089 0.000 0.757 30 L CB -0.247 41.704 42.059 -0.180 0.000 0.899 30 L HN -0.228 7.842 8.230 -0.106 0.096 0.434 31 E N -3.542 116.566 120.200 -0.152 0.000 2.340 31 E HA -0.131 nan 4.350 nan 0.000 0.194 31 E C 1.388 177.850 176.600 -0.229 0.000 0.996 31 E CA 1.751 58.025 56.400 -0.209 0.000 0.869 31 E CB 0.022 29.548 29.700 -0.290 0.000 0.835 31 E HN -0.641 7.486 8.360 -0.194 0.117 0.493 32 H N -2.551 116.472 119.070 -0.079 0.000 2.582 32 H HA -0.004 nan 4.556 nan 0.000 0.269 32 H C 0.597 175.593 175.328 -0.553 0.000 0.962 32 H CA 1.288 57.153 56.048 -0.304 0.000 1.230 32 H CB 1.121 30.655 29.762 -0.380 0.000 1.445 32 H HN -0.833 7.227 8.280 -0.160 0.124 0.528 33 F N -1.710 118.288 119.950 0.080 0.000 2.530 33 F HA 0.228 nan 4.527 nan 0.000 0.318 33 F C -0.947 174.878 175.800 0.042 0.000 1.356 33 F CA -1.135 56.900 58.000 0.057 0.000 1.135 33 F CB -0.042 38.982 39.000 0.040 0.000 1.315 33 F HN -0.035 8.379 8.300 0.190 0.000 0.549 34 R N 2.784 123.349 120.500 0.109 0.000 4.071 34 R HA 0.088 nan 4.340 nan 0.000 0.220 34 R C -0.777 175.580 176.300 0.097 0.000 1.614 34 R CA -0.530 55.620 56.100 0.084 0.000 1.505 34 R CB -1.302 29.016 30.300 0.031 0.000 1.384 34 R HN 0.241 8.533 8.270 0.037 0.000 0.758 35 I N 2.212 122.883 120.570 0.169 0.000 2.355 35 I HA 0.077 nan 4.170 nan 0.000 0.288 35 I C -0.575 175.661 176.117 0.199 0.000 0.999 35 I CA -0.723 60.671 61.300 0.157 0.000 1.163 35 I CB 0.633 38.761 38.000 0.213 0.000 1.316 35 I HN -0.571 7.729 8.210 0.219 0.042 0.454 36 S N 4.398 120.148 115.700 0.083 0.000 3.245 36 S HA -0.350 nan 4.470 nan 0.000 0.631 36 S C -0.365 174.317 174.600 0.136 0.000 2.821 36 S CA 0.960 59.213 58.200 0.089 0.000 3.266 36 S CB 0.327 63.564 63.200 0.062 0.000 0.314 36 S HN 0.475 8.806 8.310 0.035 0.000 1.621 37 T N -6.614 108.032 114.554 0.153 0.000 3.043 37 T HA 0.156 nan 4.350 nan 0.000 0.272 37 T C -0.100 174.672 174.700 0.119 0.000 0.990 37 T CA -0.481 61.691 62.100 0.119 0.000 0.897 37 T CB 0.383 69.305 68.868 0.089 0.000 1.111 37 T HN -0.082 8.259 8.240 0.169 0.000 0.529 38 E N 3.021 123.322 120.200 0.168 0.000 2.324 38 E HA -0.034 nan 4.350 nan 0.000 0.271 38 E C -0.547 176.008 176.600 -0.075 0.000 1.028 38 E CA 0.566 56.995 56.400 0.049 0.000 0.890 38 E CB 0.186 29.865 29.700 -0.034 0.000 1.004 38 E HN 0.022 8.555 8.360 0.289 0.000 0.431 39 K N 1.318 121.689 120.400 -0.049 0.000 2.316 39 K HA 0.691 nan 4.320 nan 0.000 0.234 39 K C -0.420 176.147 176.600 -0.055 0.000 1.054 39 K CA -2.116 54.134 56.287 -0.061 0.000 0.879 39 K CB 2.052 34.555 32.500 0.004 0.000 1.252 39 K HN 0.102 8.354 8.250 0.003 0.000 0.471 40 M N 0.629 120.206 119.600 -0.038 0.000 2.238 40 M HA 0.096 nan 4.480 nan 0.000 0.350 40 M C -1.335 174.959 176.300 -0.009 0.000 1.321 40 M CA -2.764 52.526 55.300 -0.018 0.000 1.097 40 M CB -1.483 31.112 32.600 -0.009 0.000 1.713 40 M HN -0.074 8.198 8.290 -0.030 0.000 0.455 41 P HA 0.193 nan 4.420 nan 0.000 0.274 41 P C 0.355 177.600 177.300 -0.092 0.000 1.237 41 P CA -0.710 62.377 63.100 -0.022 0.000 0.793 41 P CB 1.036 32.735 31.700 -0.002 0.000 0.977 42 T N 3.251 117.726 114.554 -0.131 0.000 2.699 42 T HA -0.307 nan 4.350 nan 0.000 0.268 42 T C 2.324 176.781 174.700 -0.405 0.000 1.036 42 T CA 4.523 66.452 62.100 -0.286 0.000 1.147 42 T CB -0.425 68.259 68.868 -0.307 0.000 0.862 42 T HN 0.312 8.499 8.240 -0.087 0.000 0.446 43 S N 1.651 117.205 115.700 -0.243 0.000 2.383 43 S HA -0.273 nan 4.470 nan 0.000 0.229 43 S C 1.875 176.415 174.600 -0.100 0.000 1.030 43 S CA 2.775 60.883 58.200 -0.153 0.000 1.002 43 S CB -0.631 62.533 63.200 -0.060 0.000 0.829 43 S HN 0.160 8.360 8.310 -0.165 0.011 0.467 44 L N 2.400 123.558 121.223 -0.108 0.000 2.072 44 L HA -0.166 nan 4.340 nan 0.000 0.205 44 L C 1.382 178.171 176.870 -0.135 0.000 1.079 44 L CA 2.749 57.521 54.840 -0.114 0.000 0.752 44 L CB -0.257 41.743 42.059 -0.099 0.000 0.906 44 L HN -0.679 7.474 8.230 -0.107 0.013 0.436 45 I N -1.121 119.341 120.570 -0.180 0.000 2.208 45 I HA -0.598 nan 4.170 nan 0.000 0.245 45 I C 2.205 178.260 176.117 -0.103 0.000 1.097 45 I CA 3.263 64.395 61.300 -0.280 0.000 1.363 45 I CB -1.599 36.143 38.000 -0.430 0.000 1.051 45 I HN -0.294 7.737 8.210 -0.184 0.069 0.413 46 H N -0.464 118.514 119.070 -0.153 0.000 2.353 46 H HA -0.342 nan 4.556 nan 0.000 0.300 46 H C 2.197 177.472 175.328 -0.087 0.000 1.090 46 H CA 3.055 59.047 56.048 -0.093 0.000 1.327 46 H CB 0.064 29.796 29.762 -0.049 0.000 1.383 46 H HN 0.191 8.428 8.280 -0.057 0.010 0.508 47 A N -0.349 122.491 122.820 0.033 0.000 1.933 47 A HA -0.258 nan 4.320 nan 0.000 0.218 47 A C 1.956 179.490 177.584 -0.083 0.000 1.175 47 A CA 2.972 54.985 52.037 -0.041 0.000 0.628 47 A CB -0.636 18.319 19.000 -0.075 0.000 0.814 47 A HN -0.027 8.064 8.150 0.021 0.072 0.444 48 L N -1.090 120.078 121.223 -0.091 0.000 2.056 48 L HA -0.284 nan 4.340 nan 0.000 0.207 48 L C 1.691 178.533 176.870 -0.046 0.000 1.078 48 L CA 2.188 56.980 54.840 -0.080 0.000 0.749 48 L CB -0.799 41.213 42.059 -0.077 0.000 0.901 48 L HN -0.042 8.119 8.230 -0.096 0.011 0.433 49 A N -0.556 122.239 122.820 -0.042 0.000 1.902 49 A HA -0.329 nan 4.320 nan 0.000 0.217 49 A C 2.191 179.762 177.584 -0.021 0.000 1.181 49 A CA 3.231 55.260 52.037 -0.013 0.000 0.623 49 A CB -0.853 18.141 19.000 -0.011 0.000 0.818 49 A HN 0.038 8.154 8.150 -0.057 0.000 0.443 50 L N -3.249 117.951 121.223 -0.038 0.000 2.079 50 L HA -0.498 nan 4.340 nan 0.000 0.210 50 L C 2.395 179.228 176.870 -0.063 0.000 1.081 50 L CA 3.402 58.214 54.840 -0.047 0.000 0.752 50 L CB -0.385 41.643 42.059 -0.051 0.000 0.896 50 L HN 0.280 8.489 8.230 -0.036 0.000 0.433 51 T N 1.848 116.356 114.554 -0.078 0.000 2.746 51 T HA -0.331 nan 4.350 nan 0.000 0.267 51 T C 2.277 176.955 174.700 -0.037 0.000 1.039 51 T CA 4.911 66.960 62.100 -0.085 0.000 1.142 51 T CB -0.654 68.156 68.868 -0.097 0.000 0.866 51 T HN -0.020 8.096 8.240 -0.080 0.077 0.444 52 K N 1.028 121.422 120.400 -0.011 0.000 2.097 52 K HA -0.184 nan 4.320 nan 0.000 0.205 52 K C 2.046 178.655 176.600 0.015 0.000 1.050 52 K CA 2.559 58.856 56.287 0.017 0.000 0.938 52 K CB -0.727 31.793 32.500 0.032 0.000 0.718 52 K HN -0.190 7.974 8.250 -0.016 0.077 0.442 53 R N -0.281 120.219 120.500 0.000 0.000 2.073 53 R HA -0.324 nan 4.340 nan 0.000 0.234 53 R C 2.112 178.408 176.300 -0.007 0.000 1.134 53 R CA 3.347 59.447 56.100 -0.000 0.000 0.952 53 R CB -0.053 30.242 30.300 -0.009 0.000 0.850 53 R HN 0.086 8.275 8.270 -0.007 0.077 0.433 54 A N -2.049 120.755 122.820 -0.026 0.000 1.898 54 A HA -0.218 nan 4.320 nan 0.000 0.216 54 A C 1.787 179.353 177.584 -0.031 0.000 1.181 54 A CA 2.873 54.884 52.037 -0.043 0.000 0.620 54 A CB -0.852 18.100 19.000 -0.081 0.000 0.819 54 A HN -0.036 8.092 8.150 -0.036 0.000 0.442 55 A N -2.118 120.701 122.820 -0.001 0.000 1.908 55 A HA -0.332 nan 4.320 nan 0.000 0.218 55 A C 1.865 179.509 177.584 0.100 0.000 1.181 55 A CA 2.898 54.984 52.037 0.081 0.000 0.627 55 A CB -0.740 18.339 19.000 0.132 0.000 0.818 55 A HN -0.045 8.101 8.150 -0.007 0.000 0.445 56 A N -1.758 121.096 122.820 0.057 0.000 1.902 56 A HA -0.328 nan 4.320 nan 0.000 0.217 56 A C 1.963 179.570 177.584 0.039 0.000 1.181 56 A CA 3.092 55.158 52.037 0.048 0.000 0.623 56 A CB -0.749 18.271 19.000 0.033 0.000 0.818 56 A HN 0.008 8.183 8.150 0.041 0.000 0.443 57 K N -1.445 118.968 120.400 0.023 0.000 2.002 57 K HA -0.274 nan 4.320 nan 0.000 0.209 57 K C 2.222 178.832 176.600 0.016 0.000 1.048 57 K CA 2.739 59.033 56.287 0.012 0.000 0.930 57 K CB -0.194 32.304 32.500 -0.002 0.000 0.714 57 K HN -0.614 7.646 8.250 0.016 0.000 0.438 58 V N -0.376 119.548 119.914 0.017 0.000 2.343 58 V HA -0.472 nan 4.120 nan 0.000 0.247 58 V C 2.221 178.364 176.094 0.081 0.000 1.051 58 V CA 4.672 66.988 62.300 0.027 0.000 1.036 58 V CB -0.958 30.846 31.823 -0.032 0.000 0.654 58 V HN -0.097 8.096 8.190 0.006 0.000 0.451 59 N N -1.411 117.363 118.700 0.123 0.000 2.149 59 N HA -0.358 nan 4.740 nan 0.000 0.188 59 N C 1.792 177.321 175.510 0.032 0.000 1.019 59 N CA 3.442 56.548 53.050 0.092 0.000 0.857 59 N CB -0.511 38.026 38.487 0.083 0.000 0.997 59 N HN 0.085 8.546 8.380 0.135 0.000 0.426 60 E N 0.296 120.511 120.200 0.026 0.000 2.047 60 E HA -0.291 nan 4.350 nan 0.000 0.191 60 E C 2.793 179.391 176.600 -0.004 0.000 0.987 60 E CA 3.221 59.627 56.400 0.010 0.000 0.799 60 E CB -0.086 29.621 29.700 0.011 0.000 0.752 60 E HN -0.337 7.950 8.360 0.036 0.095 0.449 61 D N 0.043 120.440 120.400 -0.005 0.000 2.149 61 D HA -0.237 nan 4.640 nan 0.000 0.198 61 D C 1.919 178.192 176.300 -0.045 0.000 0.990 61 D CA 2.753 56.742 54.000 -0.018 0.000 0.839 61 D CB -0.149 40.642 40.800 -0.016 0.000 0.948 61 D HN 0.068 8.375 8.370 0.005 0.066 0.460 62 L N -3.556 117.629 121.223 -0.063 0.000 2.612 62 L HA -0.021 nan 4.340 nan 0.000 0.230 62 L C 0.548 177.361 176.870 -0.094 0.000 1.140 62 L CA -0.156 54.599 54.840 -0.140 0.000 0.896 62 L CB -0.023 41.902 42.059 -0.222 0.000 1.065 62 L HN -0.393 7.804 8.230 -0.032 0.013 0.447 63 G N -1.651 107.121 108.800 -0.047 0.000 2.155 63 G HA2 -0.300 nan 3.960 nan 0.000 0.257 63 G HA3 -0.300 nan 3.960 nan 0.000 0.257 63 G C 0.479 175.366 174.900 -0.022 0.000 0.983 63 G CA 1.166 46.249 45.100 -0.029 0.000 0.676 63 G HN -0.177 7.873 8.290 -0.036 0.219 0.528 64 L N -3.262 117.947 121.223 -0.023 0.000 2.418 64 L HA 0.029 nan 4.340 nan 0.000 0.218 64 L C -1.063 175.804 176.870 -0.005 0.000 1.125 64 L CA 0.549 55.379 54.840 -0.017 0.000 0.835 64 L CB 0.557 42.601 42.059 -0.026 0.000 0.953 64 L HN 0.085 8.244 8.230 -0.027 0.054 0.454 65 L N -4.103 117.122 121.223 0.003 0.000 2.422 65 L HA 0.154 nan 4.340 nan 0.000 0.264 65 L C -1.745 175.131 176.870 0.010 0.000 0.984 65 L CA -1.204 53.643 54.840 0.011 0.000 0.819 65 L CB 2.975 45.046 42.059 0.020 0.000 1.330 65 L HN -0.840 7.348 8.230 0.000 0.042 0.410 66 S N 3.027 118.735 115.700 0.013 0.000 2.576 66 S HA 0.083 nan 4.470 nan 0.000 0.276 66 S C 1.021 175.628 174.600 0.012 0.000 1.339 66 S CA -0.538 57.669 58.200 0.012 0.000 1.039 66 S CB 1.303 64.511 63.200 0.014 0.000 0.902 66 S HN -0.048 8.273 8.310 0.017 0.000 0.516 67 E N 6.073 126.278 120.200 0.009 0.000 2.097 67 E HA -0.458 nan 4.350 nan 0.000 0.196 67 E C 1.632 178.238 176.600 0.009 0.000 1.000 67 E CA 3.736 60.141 56.400 0.008 0.000 0.804 67 E CB -0.257 29.446 29.700 0.006 0.000 0.740 67 E HN 0.887 9.252 8.360 0.007 0.000 0.454 68 E N -2.900 117.305 120.200 0.010 0.000 2.085 68 E HA -0.305 nan 4.350 nan 0.000 0.194 68 E C 2.462 179.068 176.600 0.010 0.000 0.994 68 E CA 2.803 59.209 56.400 0.009 0.000 0.801 68 E CB -0.692 29.013 29.700 0.009 0.000 0.743 68 E HN 0.543 8.908 8.360 0.009 0.000 0.453 69 K N -0.456 119.953 120.400 0.014 0.000 2.062 69 K HA -0.196 nan 4.320 nan 0.000 0.205 69 K C 2.314 178.924 176.600 0.016 0.000 1.051 69 K CA 2.523 58.820 56.287 0.016 0.000 0.941 69 K CB 0.003 32.517 32.500 0.025 0.000 0.719 69 K HN -0.863 7.397 8.250 0.015 0.000 0.440 70 A N -0.717 122.114 122.820 0.017 0.000 1.902 70 A HA -0.272 nan 4.320 nan 0.000 0.217 70 A C 2.047 179.640 177.584 0.015 0.000 1.181 70 A CA 3.248 55.296 52.037 0.018 0.000 0.623 70 A CB -0.887 18.124 19.000 0.017 0.000 0.818 70 A HN 0.270 8.430 8.150 0.017 0.000 0.443 71 S N -1.752 113.956 115.700 0.012 0.000 2.383 71 S HA -0.327 nan 4.470 nan 0.000 0.227 71 S C 2.017 176.625 174.600 0.012 0.000 1.026 71 S CA 2.892 61.099 58.200 0.011 0.000 0.981 71 S CB 0.007 63.212 63.200 0.009 0.000 0.818 71 S HN 0.201 8.518 8.310 0.012 0.000 0.472 72 A N 2.585 125.412 122.820 0.011 0.000 1.902 72 A HA -0.235 nan 4.320 nan 0.000 0.217 72 A C 1.969 179.561 177.584 0.013 0.000 1.181 72 A CA 2.792 54.834 52.037 0.010 0.000 0.623 72 A CB -0.725 18.277 19.000 0.004 0.000 0.818 72 A HN -0.515 7.641 8.150 0.010 0.000 0.443 73 I N -1.799 118.780 120.570 0.015 0.000 2.179 73 I HA -0.620 nan 4.170 nan 0.000 0.242 73 I C 2.146 178.277 176.117 0.024 0.000 1.088 73 I CA 4.172 65.484 61.300 0.019 0.000 1.357 73 I CB -0.335 37.678 38.000 0.023 0.000 1.051 73 I HN 0.028 8.246 8.210 0.014 0.000 0.409 74 R N -1.774 118.738 120.500 0.020 0.000 2.096 74 R HA -0.428 nan 4.340 nan 0.000 0.235 74 R C 2.358 178.671 176.300 0.021 0.000 1.127 74 R CA 3.857 59.967 56.100 0.017 0.000 0.968 74 R CB -0.515 29.792 30.300 0.012 0.000 0.861 74 R HN -0.325 7.955 8.270 0.018 0.000 0.440 75 Q N -0.173 119.641 119.800 0.023 0.000 2.119 75 Q HA -0.241 nan 4.340 nan 0.000 0.201 75 Q C 2.127 178.157 176.000 0.049 0.000 0.972 75 Q CA 2.981 58.801 55.803 0.029 0.000 0.847 75 Q CB -0.126 28.627 28.738 0.024 0.000 0.903 75 Q HN -0.224 7.967 8.270 0.020 0.092 0.433 76 A N -1.051 121.800 122.820 0.050 0.000 1.930 76 A HA -0.252 nan 4.320 nan 0.000 0.217 76 A C 1.827 179.469 177.584 0.097 0.000 1.175 76 A CA 2.744 54.825 52.037 0.072 0.000 0.627 76 A CB -0.863 18.154 19.000 0.029 0.000 0.815 76 A HN -0.118 7.977 8.150 0.035 0.076 0.443 77 A N -1.691 121.168 122.820 0.065 0.000 1.902 77 A HA -0.335 nan 4.320 nan 0.000 0.217 77 A C 1.816 179.425 177.584 0.042 0.000 1.181 77 A CA 3.172 55.244 52.037 0.058 0.000 0.623 77 A CB -0.727 18.291 19.000 0.029 0.000 0.818 77 A HN 0.193 8.287 8.150 0.047 0.085 0.443 78 D N -1.648 118.769 120.400 0.028 0.000 2.178 78 D HA -0.295 nan 4.640 nan 0.000 0.201 78 D C 2.689 178.997 176.300 0.013 0.000 0.980 78 D CA 3.403 57.404 54.000 0.002 0.000 0.842 78 D CB -0.447 40.355 40.800 0.003 0.000 0.948 78 D HN -0.007 8.309 8.370 0.031 0.073 0.472 79 E N -0.665 119.580 120.200 0.074 0.000 2.106 79 E HA -0.259 nan 4.350 nan 0.000 0.192 79 E C 2.266 178.925 176.600 0.098 0.000 0.984 79 E CA 2.909 59.359 56.400 0.083 0.000 0.806 79 E CB -0.003 29.825 29.700 0.213 0.000 0.750 79 E HN -0.478 7.837 8.360 0.095 0.102 0.458 80 V N 0.433 120.477 119.914 0.218 0.000 2.307 80 V HA -0.291 nan 4.120 nan 0.000 0.245 80 V C 2.606 178.690 176.094 -0.017 0.000 1.045 80 V CA 3.944 66.387 62.300 0.238 0.000 1.024 80 V CB -0.760 31.217 31.823 0.256 0.000 0.651 80 V HN -0.726 7.477 8.190 0.207 0.112 0.449 81 L N -0.446 120.663 121.223 -0.189 0.000 2.127 81 L HA -0.347 nan 4.340 nan 0.000 0.211 81 L C 1.551 178.238 176.870 -0.306 0.000 1.089 81 L CA 2.732 57.264 54.840 -0.514 0.000 0.757 81 L CB -0.425 41.447 42.059 -0.310 0.000 0.899 81 L HN -0.092 8.084 8.230 -0.090 0.000 0.434 82 A N -3.442 119.308 122.820 -0.116 0.000 2.238 82 A HA 0.033 nan 4.320 nan 0.000 0.208 82 A C 0.354 177.932 177.584 -0.010 0.000 1.177 82 A CA 0.008 52.014 52.037 -0.051 0.000 0.804 82 A CB 0.065 19.041 19.000 -0.040 0.000 0.823 82 A HN -0.112 7.873 8.150 -0.084 0.115 0.482 83 G N -1.850 106.969 108.800 0.032 0.000 2.143 83 G HA2 -0.405 nan 3.960 nan 0.000 0.249 83 G HA3 -0.405 nan 3.960 nan 0.000 0.249 83 G C 1.164 176.069 174.900 0.009 0.000 0.981 83 G CA 0.382 45.533 45.100 0.085 0.000 0.665 83 G HN -0.170 7.932 8.290 0.019 0.198 0.528 84 Q N -0.714 119.020 119.800 -0.110 0.000 2.435 84 Q HA -0.180 nan 4.340 nan 0.000 0.207 84 Q C 0.382 176.116 176.000 -0.444 0.000 0.956 84 Q CA 1.382 56.991 55.803 -0.323 0.000 0.917 84 Q CB 0.503 28.928 28.738 -0.522 0.000 0.997 84 Q HN 0.047 8.219 8.270 -0.091 0.044 0.497 85 H N -2.799 116.364 119.070 0.155 0.000 2.637 85 H HA 0.328 nan 4.556 nan 0.000 0.245 85 H C -0.525 174.975 175.328 0.287 0.000 1.190 85 H CA -1.857 54.300 56.048 0.182 0.000 0.934 85 H CB -0.276 29.603 29.762 0.195 0.000 1.950 85 H HN -0.349 7.906 8.280 0.059 0.061 0.614 86 D N 0.870 121.460 120.400 0.317 0.000 2.182 86 D HA -0.337 nan 4.640 nan 0.000 0.201 86 D C 0.732 177.220 176.300 0.314 0.000 0.986 86 D CA 3.456 57.652 54.000 0.327 0.000 0.847 86 D CB -0.418 40.499 40.800 0.196 0.000 0.942 86 D HN -0.099 8.397 8.370 0.211 0.000 0.467 87 D N -4.501 116.035 120.400 0.227 0.000 2.363 87 D HA -0.103 nan 4.640 nan 0.000 0.226 87 D C 0.910 177.340 176.300 0.216 0.000 1.020 87 D CA 1.282 55.399 54.000 0.196 0.000 0.892 87 D CB -0.857 40.028 40.800 0.143 0.000 0.900 87 D HN 0.293 8.758 8.370 0.202 0.025 0.531 88 E N -0.874 119.392 120.200 0.109 0.000 2.479 88 E HA 0.082 nan 4.350 nan 0.000 0.193 88 E C -0.882 175.407 176.600 -0.517 0.000 1.049 88 E CA -0.371 55.964 56.400 -0.110 0.000 0.870 88 E CB 0.089 29.556 29.700 -0.390 0.000 0.944 88 E HN -0.268 8.007 8.360 0.169 0.186 0.492 89 F N -1.087 118.961 119.950 0.165 0.000 2.550 89 F HA 0.339 nan 4.527 nan 0.000 0.348 89 F C -2.402 173.366 175.800 -0.053 0.000 1.219 89 F CA -2.856 55.160 58.000 0.026 0.000 1.203 89 F CB 0.499 39.528 39.000 0.047 0.000 1.436 89 F HN -0.967 7.379 8.300 0.188 0.067 0.541 90 P HA 0.057 nan 4.420 nan 0.000 0.255 90 P C -1.452 175.764 177.300 -0.140 0.000 1.248 90 P CA 0.125 63.134 63.100 -0.152 0.000 0.807 90 P CB 0.276 31.760 31.700 -0.359 0.000 1.150 91 L N -1.121 120.021 121.223 -0.135 0.000 2.416 91 L HA -0.098 nan 4.340 nan 0.000 0.272 91 L C -0.481 176.330 176.870 -0.098 0.000 1.161 91 L CA -0.541 54.226 54.840 -0.121 0.000 0.845 91 L CB 0.079 42.055 42.059 -0.139 0.000 1.119 91 L HN -0.387 7.722 8.230 -0.104 0.059 0.464 92 A N 1.329 124.095 122.820 -0.089 0.000 2.366 92 A HA -0.036 nan 4.320 nan 0.000 0.249 92 A C 0.093 177.494 177.584 -0.306 0.000 1.084 92 A CA -0.203 51.761 52.037 -0.121 0.000 0.794 92 A CB 0.635 19.658 19.000 0.038 0.000 1.034 92 A HN -0.062 8.056 8.150 -0.054 0.000 0.491 93 I N -1.924 118.291 120.570 -0.593 0.000 2.286 93 I HA -0.202 nan 4.170 nan 0.000 0.248 93 I C 1.112 176.710 176.117 -0.864 0.000 1.115 93 I CA 1.756 62.531 61.300 -0.875 0.000 1.392 93 I CB 0.430 37.532 38.000 -1.497 0.000 1.065 93 I HN -0.052 7.808 8.210 -0.585 0.000 0.418 94 W N -1.990 119.240 121.300 -0.116 0.000 1.828 94 W HA -0.137 nan 4.660 nan 0.000 0.470 94 W C -1.121 175.311 176.519 -0.145 0.000 0.786 94 W CA -0.939 56.354 57.345 -0.087 0.000 1.816 94 W CB -2.562 26.890 29.460 -0.013 0.000 1.798 94 W HN -0.192 7.352 8.180 -1.026 0.020 0.252 95 Q N -0.349 119.266 119.800 -0.307 0.000 3.348 95 Q HA 0.352 nan 4.340 nan 0.000 0.330 95 Q C -0.566 175.006 176.000 -0.714 0.000 0.928 95 Q CA -1.433 53.850 55.803 -0.865 0.000 0.823 95 Q CB 2.073 30.371 28.738 -0.734 0.000 1.774 95 Q HN -0.465 7.590 8.270 -0.301 0.034 0.433 96 T N -2.607 111.497 114.554 -0.751 0.000 2.871 96 T HA 0.007 nan 4.350 nan 0.000 0.296 96 T C 1.993 176.474 174.700 -0.365 0.000 0.998 96 T CA 0.042 61.885 62.100 -0.429 0.000 1.162 96 T CB 0.047 68.705 68.868 -0.350 0.000 0.947 96 T HN -0.070 7.839 8.240 -0.878 -0.196 0.536 97 G N 2.687 111.323 108.800 -0.274 0.000 2.479 97 G HA2 -0.293 nan 3.960 nan 0.000 0.220 97 G HA3 -0.293 nan 3.960 nan 0.000 0.220 97 G C 0.614 175.377 174.900 -0.227 0.000 1.115 97 G CA 2.203 47.148 45.100 -0.259 0.000 0.757 97 G HN 0.607 8.760 8.290 -0.229 0.000 0.560 98 S N -2.886 112.674 115.700 -0.233 0.000 2.528 98 S HA -0.040 nan 4.470 nan 0.000 0.219 98 S C 0.537 174.883 174.600 -0.423 0.000 0.985 98 S CA -0.188 57.894 58.200 -0.196 0.000 0.914 98 S CB 0.107 63.236 63.200 -0.118 0.000 0.776 98 S HN -0.425 7.716 8.310 -0.226 0.033 0.526 99 G N 0.792 109.180 108.800 -0.685 0.000 2.136 99 G HA2 -0.362 nan 3.960 nan 0.000 0.242 99 G HA3 -0.362 nan 3.960 nan 0.000 0.242 99 G C 0.686 175.209 174.900 -0.627 0.000 0.989 99 G CA 0.543 44.900 45.100 -1.237 0.000 0.682 99 G HN -0.036 7.762 8.290 -0.539 0.169 0.522 100 T N 3.488 117.829 114.554 -0.355 0.000 2.665 100 T HA -0.490 nan 4.350 nan 0.000 0.268 100 T C 1.680 176.288 174.700 -0.152 0.000 1.035 100 T CA 5.548 67.539 62.100 -0.182 0.000 1.151 100 T CB -0.341 68.448 68.868 -0.130 0.000 0.862 100 T HN -0.487 7.493 8.240 -0.345 0.053 0.438 101 Q N 0.563 120.240 119.800 -0.205 0.000 2.124 101 Q HA -0.336 nan 4.340 nan 0.000 0.202 101 Q C 2.530 178.461 176.000 -0.115 0.000 0.977 101 Q CA 3.392 59.103 55.803 -0.154 0.000 0.850 101 Q CB -0.190 28.421 28.738 -0.213 0.000 0.901 101 Q HN -0.325 7.774 8.270 -0.286 0.000 0.429 102 S N 0.529 116.138 115.700 -0.152 0.000 2.402 102 S HA -0.339 nan 4.470 nan 0.000 0.229 102 S C 1.882 176.522 174.600 0.065 0.000 1.021 102 S CA 3.039 61.227 58.200 -0.019 0.000 0.974 102 S CB -0.257 62.950 63.200 0.012 0.000 0.800 102 S HN -0.490 7.857 8.310 -0.267 -0.198 0.484 103 N N 2.624 121.344 118.700 0.035 0.000 2.142 103 N HA -0.218 nan 4.740 nan 0.000 0.186 103 N C 1.978 177.527 175.510 0.066 0.000 1.023 103 N CA 2.958 56.055 53.050 0.078 0.000 0.852 103 N CB -0.038 38.484 38.487 0.058 0.000 0.998 103 N HN -0.353 7.890 8.380 -0.052 0.106 0.424 104 M N -0.572 119.047 119.600 0.032 0.000 2.229 104 M HA -0.248 nan 4.480 nan 0.000 0.264 104 M C 2.096 178.435 176.300 0.066 0.000 1.063 104 M CA 1.623 56.947 55.300 0.041 0.000 1.114 104 M CB -1.273 31.338 32.600 0.018 0.000 1.387 104 M HN 0.348 8.560 8.290 -0.001 0.077 0.420 105 N N 1.028 119.770 118.700 0.071 0.000 2.069 105 N HA -0.327 nan 4.740 nan 0.000 0.191 105 N C 2.040 177.671 175.510 0.202 0.000 1.031 105 N CA 3.338 56.450 53.050 0.102 0.000 0.852 105 N CB -0.148 38.414 38.487 0.125 0.000 1.018 105 N HN 0.021 8.352 8.380 0.046 0.076 0.423 106 M N -0.175 119.591 119.600 0.277 0.000 2.132 106 M HA -0.263 nan 4.480 nan 0.000 0.263 106 M C 1.750 178.156 176.300 0.175 0.000 1.065 106 M CA 2.686 58.178 55.300 0.321 0.000 1.122 106 M CB -0.301 32.429 32.600 0.217 0.000 1.365 106 M HN -0.333 8.092 8.290 0.224 0.000 0.411 107 N N -0.333 118.438 118.700 0.118 0.000 2.120 107 N HA -0.335 nan 4.740 nan 0.000 0.188 107 N C 2.742 178.291 175.510 0.065 0.000 1.024 107 N CA 3.281 56.380 53.050 0.080 0.000 0.852 107 N CB -0.512 38.015 38.487 0.066 0.000 1.003 107 N HN -0.144 8.238 8.380 0.116 0.068 0.424 108 E N 0.876 121.118 120.200 0.071 0.000 2.072 108 E HA -0.209 nan 4.350 nan 0.000 0.190 108 E C 2.428 179.043 176.600 0.026 0.000 0.982 108 E CA 3.084 59.518 56.400 0.056 0.000 0.803 108 E CB 0.191 29.943 29.700 0.087 0.000 0.755 108 E HN -0.054 8.357 8.360 0.086 0.000 0.453 109 V N 1.290 121.219 119.914 0.025 0.000 2.295 109 V HA -0.318 nan 4.120 nan 0.000 0.246 109 V C 2.278 178.336 176.094 -0.061 0.000 1.049 109 V CA 4.698 66.963 62.300 -0.057 0.000 1.024 109 V CB -0.794 30.950 31.823 -0.131 0.000 0.648 109 V HN -0.012 8.216 8.190 0.064 0.000 0.447 110 L N -1.580 119.650 121.223 0.011 0.000 2.056 110 L HA -0.304 nan 4.340 nan 0.000 0.207 110 L C 1.988 178.848 176.870 -0.016 0.000 1.078 110 L CA 2.781 57.626 54.840 0.007 0.000 0.749 110 L CB -1.364 40.725 42.059 0.050 0.000 0.901 110 L HN 0.094 8.362 8.230 0.063 0.000 0.433 111 A N -0.610 122.202 122.820 -0.013 0.000 1.873 111 A HA -0.350 nan 4.320 nan 0.000 0.215 111 A C 2.208 179.752 177.584 -0.067 0.000 1.186 111 A CA 3.428 55.443 52.037 -0.037 0.000 0.616 111 A CB -0.809 18.173 19.000 -0.030 0.000 0.823 111 A HN 0.032 8.185 8.150 0.005 0.000 0.442 112 N N -1.551 117.109 118.700 -0.066 0.000 2.120 112 N HA -0.287 nan 4.740 nan 0.000 0.188 112 N C 2.397 177.857 175.510 -0.083 0.000 1.024 112 N CA 3.022 56.024 53.050 -0.081 0.000 0.852 112 N CB -0.293 38.142 38.487 -0.086 0.000 1.003 112 N HN -0.184 8.166 8.380 -0.051 0.000 0.424 113 R N 0.492 120.937 120.500 -0.091 0.000 2.073 113 R HA -0.156 nan 4.340 nan 0.000 0.229 113 R C 1.707 177.981 176.300 -0.043 0.000 1.120 113 R CA 2.335 58.387 56.100 -0.081 0.000 0.967 113 R CB -0.458 29.761 30.300 -0.135 0.000 0.862 113 R HN -0.170 8.041 8.270 -0.099 0.000 0.436 114 A N -1.344 121.452 122.820 -0.039 0.000 1.978 114 A HA -0.238 nan 4.320 nan 0.000 0.220 114 A C 2.079 179.642 177.584 -0.034 0.000 1.170 114 A CA 2.965 54.987 52.037 -0.025 0.000 0.636 114 A CB -1.210 17.778 19.000 -0.020 0.000 0.810 114 A HN 0.152 8.167 8.150 -0.046 0.107 0.448 115 S N -1.386 114.281 115.700 -0.056 0.000 2.348 115 S HA -0.393 nan 4.470 nan 0.000 0.221 115 S C 2.216 176.791 174.600 -0.042 0.000 1.033 115 S CA 3.404 61.566 58.200 -0.063 0.000 1.010 115 S CB -0.205 62.942 63.200 -0.089 0.000 0.891 115 S HN -0.195 8.061 8.310 -0.065 0.015 0.442 116 E N 1.848 122.024 120.200 -0.039 0.000 2.085 116 E HA -0.360 nan 4.350 nan 0.000 0.194 116 E C 2.939 179.530 176.600 -0.014 0.000 0.994 116 E CA 2.846 59.230 56.400 -0.026 0.000 0.801 116 E CB -0.114 29.572 29.700 -0.024 0.000 0.743 116 E HN -0.756 7.576 8.360 -0.047 0.000 0.453 117 L N -1.841 119.376 121.223 -0.009 0.000 2.187 117 L HA -0.219 nan 4.340 nan 0.000 0.213 117 L C 0.981 177.849 176.870 -0.004 0.000 1.100 117 L CA 2.536 57.376 54.840 -0.001 0.000 0.765 117 L CB -0.044 42.019 42.059 0.005 0.000 0.904 117 L HN -0.175 8.047 8.230 -0.013 0.000 0.437 118 L N -2.369 118.848 121.223 -0.010 0.000 2.851 118 L HA 0.120 nan 4.340 nan 0.000 0.237 118 L C 0.075 176.939 176.870 -0.010 0.000 1.257 118 L CA -0.723 54.112 54.840 -0.009 0.000 1.061 118 L CB -0.329 41.723 42.059 -0.011 0.000 1.372 118 L HN -0.520 7.545 8.230 -0.016 0.155 0.493 119 G N -1.728 107.067 108.800 -0.010 0.000 2.166 119 G HA2 -0.399 nan 3.960 nan 0.000 0.260 119 G HA3 -0.399 nan 3.960 nan 0.000 0.260 119 G C -0.207 174.684 174.900 -0.014 0.000 0.986 119 G CA 0.446 45.540 45.100 -0.010 0.000 0.683 119 G HN -0.137 8.058 8.290 -0.009 0.089 0.527 120 G N -1.583 107.205 108.800 -0.021 0.000 2.574 120 G HA2 0.391 nan 3.960 nan 0.000 0.248 120 G HA3 0.391 nan 3.960 nan 0.000 0.248 120 G C -2.220 172.661 174.900 -0.031 0.000 1.422 120 G CA -1.511 43.572 45.100 -0.027 0.000 1.051 120 G HN -0.406 7.812 8.290 -0.022 0.059 0.560 121 V N -1.087 118.803 119.914 -0.040 0.000 3.130 121 V HA 0.529 nan 4.120 nan 0.000 0.310 121 V C -1.857 174.204 176.094 -0.056 0.000 1.158 121 V CA -2.977 59.297 62.300 -0.043 0.000 1.029 121 V CB 4.232 36.033 31.823 -0.035 0.000 1.057 121 V HN -0.148 8.015 8.190 -0.045 0.000 0.436 122 R N 2.211 122.674 120.500 -0.060 0.000 2.560 122 R HA 0.415 nan 4.340 nan 0.000 0.270 122 R C 0.303 176.564 176.300 -0.065 0.000 1.074 122 R CA -0.475 55.582 56.100 -0.072 0.000 1.140 122 R CB 0.662 30.910 30.300 -0.087 0.000 1.073 122 R HN 0.500 8.736 8.270 -0.057 0.000 0.527 123 G N 1.460 110.222 108.800 -0.062 0.000 2.549 123 G HA2 -0.275 nan 3.960 nan 0.000 0.404 123 G HA3 -0.275 nan 3.960 nan 0.000 0.404 123 G C 0.389 175.270 174.900 -0.031 0.000 1.292 123 G CA -0.509 44.564 45.100 -0.044 0.000 0.935 123 G HN 0.209 8.836 8.290 -0.067 -0.377 0.512 124 M N 0.094 119.687 119.600 -0.012 0.000 2.539 124 M HA -0.231 nan 4.480 nan 0.000 0.261 124 M C 0.791 177.097 176.300 0.010 0.000 1.069 124 M CA 0.596 55.901 55.300 0.008 0.000 1.081 124 M CB -1.033 31.578 32.600 0.018 0.000 1.412 124 M HN 0.640 8.923 8.290 -0.011 0.000 0.482 125 E N -1.870 118.324 120.200 -0.010 0.000 2.489 125 E HA -0.049 nan 4.350 nan 0.000 0.193 125 E C -0.363 176.217 176.600 -0.032 0.000 1.057 125 E CA -0.813 55.582 56.400 -0.008 0.000 0.866 125 E CB 0.337 30.030 29.700 -0.013 0.000 0.916 125 E HN -0.031 8.253 8.360 -0.020 0.065 0.500 126 R N -1.731 118.726 120.500 -0.072 0.000 2.697 126 R HA -0.278 nan 4.340 nan 0.000 0.265 126 R C 0.158 176.326 176.300 -0.219 0.000 1.009 126 R CA 0.513 56.529 56.100 -0.140 0.000 1.099 126 R CB 0.474 30.670 30.300 -0.173 0.000 0.965 126 R HN -0.586 7.572 8.270 -0.062 0.075 0.428 127 K N -0.657 119.634 120.400 -0.182 0.000 2.314 127 K HA -0.109 nan 4.320 nan 0.000 0.198 127 K C -0.918 175.541 176.600 -0.236 0.000 1.045 127 K CA 1.667 57.869 56.287 -0.141 0.000 0.988 127 K CB 0.613 33.081 32.500 -0.053 0.000 0.783 127 K HN 0.062 8.229 8.250 -0.138 0.000 0.484 128 V N -2.627 117.101 119.914 -0.310 0.000 2.459 128 V HA 0.163 nan 4.120 nan 0.000 0.295 128 V C -0.695 175.153 176.094 -0.410 0.000 1.029 128 V CA -1.677 60.483 62.300 -0.232 0.000 0.874 128 V CB 0.866 32.633 31.823 -0.095 0.000 0.985 128 V HN -0.488 7.537 8.190 -0.274 0.000 0.438 129 H N 7.669 126.742 119.070 0.006 0.000 2.476 129 H HA 0.472 nan 4.556 nan 0.000 0.328 129 H C -0.395 174.940 175.328 0.012 0.000 1.073 129 H CA -2.316 53.737 56.048 0.008 0.000 1.229 129 H CB 0.582 30.348 29.762 0.006 0.000 1.432 129 H HN 0.420 9.121 8.280 0.083 -0.371 0.477 130 P HA -0.400 nan 4.420 nan 0.000 0.214 130 P C 1.198 178.540 177.300 0.071 0.000 1.169 130 P CA 3.307 66.447 63.100 0.067 0.000 0.908 130 P CB 0.680 32.416 31.700 0.059 0.000 0.791 131 N N -2.395 116.351 118.700 0.076 0.000 2.132 131 N HA -0.171 nan 4.740 nan 0.000 0.187 131 N C 1.713 177.251 175.510 0.045 0.000 1.038 131 N CA 3.061 56.142 53.050 0.052 0.000 0.846 131 N CB -0.435 38.075 38.487 0.039 0.000 1.012 131 N HN 0.084 8.518 8.380 0.091 0.000 0.429 132 D N -1.710 118.723 120.400 0.055 0.000 2.178 132 D HA -0.202 nan 4.640 nan 0.000 0.201 132 D C 0.485 176.813 176.300 0.046 0.000 0.980 132 D CA 2.639 56.658 54.000 0.031 0.000 0.842 132 D CB -0.429 40.365 40.800 -0.009 0.000 0.948 132 D HN 0.244 8.659 8.370 0.075 0.000 0.472 133 D N -1.686 118.763 120.400 0.082 0.000 2.735 133 D HA 0.085 nan 4.640 nan 0.000 0.267 133 D C 2.745 179.075 176.300 0.050 0.000 1.081 133 D CA 1.761 55.802 54.000 0.068 0.000 0.980 133 D CB 1.219 42.072 40.800 0.089 0.000 1.129 133 D HN -0.218 8.219 8.370 0.112 0.000 0.459 134 V N 0.345 120.291 119.914 0.053 0.000 2.490 134 V HA -0.302 nan 4.120 nan 0.000 0.250 134 V C 1.158 177.281 176.094 0.048 0.000 1.061 134 V CA 3.403 65.732 62.300 0.048 0.000 1.064 134 V CB -0.354 31.497 31.823 0.047 0.000 0.670 134 V HN -0.454 7.773 8.190 0.061 0.000 0.461 135 N N -3.432 115.293 118.700 0.043 0.000 2.251 135 N HA 0.040 nan 4.740 nan 0.000 0.217 135 N C -1.323 174.196 175.510 0.014 0.000 1.124 135 N CA -0.617 52.454 53.050 0.035 0.000 0.843 135 N CB 0.941 39.447 38.487 0.032 0.000 1.024 135 N HN -0.535 7.872 8.380 0.045 0.000 0.501 136 K N 1.179 121.585 120.400 0.010 0.000 2.451 136 K HA -0.190 nan 4.320 nan 0.000 0.280 136 K C -0.657 175.893 176.600 -0.082 0.000 1.020 136 K CA 1.686 57.957 56.287 -0.026 0.000 1.008 136 K CB 0.123 32.615 32.500 -0.014 0.000 0.917 136 K HN -0.781 7.303 8.250 0.025 0.181 0.478 137 S N 0.838 116.442 115.700 -0.160 0.000 3.261 137 S HA -0.314 nan 4.470 nan 0.000 0.287 137 S C -0.902 173.535 174.600 -0.271 0.000 1.281 137 S CA 1.538 59.524 58.200 -0.357 0.000 1.053 137 S CB -0.650 62.087 63.200 -0.772 0.000 1.251 137 S HN 0.529 8.766 8.310 -0.121 0.000 0.659 138 Q N -1.946 117.801 119.800 -0.089 0.000 2.633 138 Q HA 0.473 nan 4.340 nan 0.000 0.292 138 Q C -1.603 174.394 176.000 -0.005 0.000 1.089 138 Q CA -1.498 54.302 55.803 -0.005 0.000 0.811 138 Q CB 3.175 31.942 28.738 0.047 0.000 1.472 138 Q HN -0.547 7.638 8.270 -0.067 0.044 0.464 139 S N -1.347 114.362 115.700 0.015 0.000 2.537 139 S HA 0.321 nan 4.470 nan 0.000 0.270 139 S C -0.242 174.372 174.600 0.024 0.000 1.142 139 S CA -1.625 56.581 58.200 0.012 0.000 0.870 139 S CB 1.897 65.100 63.200 0.006 0.000 1.112 139 S HN 0.150 8.633 8.310 0.031 -0.154 0.466 140 S N 5.949 121.661 115.700 0.019 0.000 2.400 140 S HA -0.392 nan 4.470 nan 0.000 0.232 140 S C 2.005 176.630 174.600 0.040 0.000 1.025 140 S CA 3.575 61.791 58.200 0.027 0.000 0.993 140 S CB -0.207 62.987 63.200 -0.011 0.000 0.808 140 S HN 0.650 8.966 8.310 0.010 0.000 0.478 141 N N -0.829 117.885 118.700 0.023 0.000 2.094 141 N HA -0.297 nan 4.740 nan 0.000 0.191 141 N C 0.668 176.195 175.510 0.030 0.000 1.023 141 N CA 2.656 55.722 53.050 0.027 0.000 0.857 141 N CB -0.289 38.209 38.487 0.019 0.000 1.013 141 N HN -0.348 8.025 8.380 0.014 0.015 0.426 142 D N -4.557 115.855 120.400 0.020 0.000 2.367 142 D HA 0.014 nan 4.640 nan 0.000 0.207 142 D C 1.358 177.659 176.300 0.001 0.000 1.034 142 D CA 0.534 54.534 54.000 0.000 0.000 0.861 142 D CB 0.733 41.530 40.800 -0.005 0.000 0.943 142 D HN -0.634 7.749 8.370 0.022 0.000 0.515 143 V N 0.856 120.790 119.914 0.035 0.000 2.346 143 V HA -0.238 nan 4.120 nan 0.000 0.244 143 V C 1.440 177.553 176.094 0.031 0.000 1.037 143 V CA 4.414 66.733 62.300 0.031 0.000 1.029 143 V CB -0.645 31.213 31.823 0.059 0.000 0.663 143 V HN -0.169 7.955 8.190 0.047 0.095 0.454 144 F N -0.218 119.692 119.950 -0.067 0.000 2.102 144 F HA -0.163 nan 4.527 nan 0.000 0.298 144 F C -1.629 174.110 175.800 -0.101 0.000 1.105 144 F CA 5.765 63.718 58.000 -0.077 0.000 1.239 144 F CB -2.554 36.403 39.000 -0.072 0.000 0.991 144 F HN -0.180 8.250 8.300 0.217 0.000 0.474 145 P HA -0.202 nan 4.420 nan 0.000 0.217 145 P C 1.450 178.543 177.300 -0.345 0.000 1.150 145 P CA 3.309 66.275 63.100 -0.223 0.000 0.832 145 P CB -0.504 31.093 31.700 -0.172 0.000 0.787 146 T N -0.048 114.356 114.554 -0.250 0.000 2.708 146 T HA -0.265 nan 4.350 nan 0.000 0.266 146 T C 1.647 176.197 174.700 -0.250 0.000 1.037 146 T CA 5.204 67.162 62.100 -0.238 0.000 1.146 146 T CB -0.611 68.150 68.868 -0.177 0.000 0.865 146 T HN -0.693 7.435 8.240 -0.173 0.008 0.435 147 A N 1.321 123.975 122.820 -0.276 0.000 1.933 147 A HA -0.281 nan 4.320 nan 0.000 0.218 147 A C 1.853 179.252 177.584 -0.308 0.000 1.175 147 A CA 3.242 55.102 52.037 -0.295 0.000 0.628 147 A CB -0.958 17.838 19.000 -0.340 0.000 0.814 147 A HN -0.083 7.910 8.150 -0.261 0.000 0.444 148 M N -1.863 117.499 119.600 -0.397 0.000 2.086 148 M HA -0.515 nan 4.480 nan 0.000 0.261 148 M C 2.463 178.731 176.300 -0.052 0.000 1.067 148 M CA 4.389 59.520 55.300 -0.281 0.000 1.116 148 M CB -0.070 32.357 32.600 -0.289 0.000 1.348 148 M HN 0.025 7.932 8.290 -0.491 0.089 0.407 149 H N -1.083 117.869 119.070 -0.197 0.000 2.389 149 H HA -0.152 nan 4.556 nan 0.000 0.299 149 H C 2.512 177.857 175.328 0.029 0.000 1.081 149 H CA 2.940 58.930 56.048 -0.096 0.000 1.345 149 H CB -0.581 29.153 29.762 -0.047 0.000 1.393 149 H HN -0.449 7.801 8.280 -0.050 0.000 0.520 150 V N -0.099 119.832 119.914 0.028 0.000 2.295 150 V HA -0.447 nan 4.120 nan 0.000 0.246 150 V C 1.802 177.974 176.094 0.130 0.000 1.049 150 V CA 4.762 67.066 62.300 0.007 0.000 1.024 150 V CB -1.143 30.518 31.823 -0.271 0.000 0.648 150 V HN 0.024 8.167 8.190 -0.078 0.000 0.447 151 A N -1.914 120.920 122.820 0.023 0.000 1.902 151 A HA -0.348 nan 4.320 nan 0.000 0.217 151 A C 1.762 179.394 177.584 0.079 0.000 1.181 151 A CA 3.340 55.397 52.037 0.033 0.000 0.623 151 A CB -0.819 18.165 19.000 -0.028 0.000 0.818 151 A HN -0.037 8.086 8.150 -0.046 0.000 0.443 152 A N -0.883 121.971 122.820 0.055 0.000 1.858 152 A HA -0.261 nan 4.320 nan 0.000 0.216 152 A C 1.772 179.429 177.584 0.122 0.000 1.190 152 A CA 2.907 54.997 52.037 0.089 0.000 0.617 152 A CB -0.714 18.143 19.000 -0.238 0.000 0.827 152 A HN -0.213 7.941 8.150 0.007 0.000 0.443 153 L N -1.396 119.877 121.223 0.084 0.000 2.012 153 L HA -0.303 nan 4.340 nan 0.000 0.210 153 L C 1.887 178.788 176.870 0.052 0.000 1.073 153 L CA 3.002 57.870 54.840 0.047 0.000 0.748 153 L CB -0.161 41.897 42.059 -0.003 0.000 0.891 153 L HN -0.160 8.129 8.230 0.098 0.000 0.431 154 L N -2.758 118.534 121.223 0.115 0.000 2.093 154 L HA -0.444 nan 4.340 nan 0.000 0.208 154 L C 1.985 178.895 176.870 0.065 0.000 1.085 154 L CA 3.179 58.072 54.840 0.089 0.000 0.755 154 L CB -0.977 41.159 42.059 0.128 0.000 0.904 154 L HN -0.253 8.088 8.230 0.186 0.000 0.435 155 A N -0.225 122.644 122.820 0.081 0.000 1.898 155 A HA -0.284 nan 4.320 nan 0.000 0.216 155 A C 1.995 179.609 177.584 0.051 0.000 1.181 155 A CA 3.178 55.255 52.037 0.067 0.000 0.620 155 A CB -0.865 18.189 19.000 0.091 0.000 0.819 155 A HN -0.133 8.078 8.150 0.103 0.000 0.442 156 L N -2.505 118.760 121.223 0.071 0.000 2.027 156 L HA -0.461 nan 4.340 nan 0.000 0.206 156 L C 2.432 179.308 176.870 0.010 0.000 1.074 156 L CA 3.274 58.140 54.840 0.043 0.000 0.745 156 L CB -0.361 41.741 42.059 0.072 0.000 0.898 156 L HN 0.002 8.293 8.230 0.102 0.000 0.433 157 R N -1.500 119.002 120.500 0.003 0.000 2.073 157 R HA -0.252 nan 4.340 nan 0.000 0.229 157 R C 2.229 178.523 176.300 -0.009 0.000 1.120 157 R CA 3.313 59.403 56.100 -0.017 0.000 0.967 157 R CB 0.033 30.310 30.300 -0.038 0.000 0.862 157 R HN 0.114 8.390 8.270 0.011 0.000 0.436 158 K N -3.175 117.228 120.400 0.005 0.000 2.186 158 K HA -0.122 nan 4.320 nan 0.000 0.202 158 K C 1.408 178.011 176.600 0.006 0.000 1.052 158 K CA 2.319 58.610 56.287 0.008 0.000 0.965 158 K CB 0.547 33.059 32.500 0.021 0.000 0.746 158 K HN -0.053 8.095 8.250 0.014 0.111 0.457 159 Q N -2.037 117.767 119.800 0.006 0.000 2.525 159 Q HA 0.021 nan 4.340 nan 0.000 0.203 159 Q C 1.603 177.598 176.000 -0.008 0.000 0.947 159 Q CA 1.986 57.790 55.803 0.001 0.000 0.881 159 Q CB 1.045 29.785 28.738 0.002 0.000 1.049 159 Q HN -0.366 7.911 8.270 0.011 0.000 0.600 160 L N 1.243 122.458 121.223 -0.014 0.000 1.970 160 L HA -0.301 nan 4.340 nan 0.000 0.212 160 L C 1.836 178.693 176.870 -0.023 0.000 1.071 160 L CA 3.172 57.997 54.840 -0.026 0.000 0.751 160 L CB -0.313 41.722 42.059 -0.040 0.000 0.889 160 L HN -0.533 7.692 8.230 -0.008 0.000 0.432 161 I N -2.144 118.413 120.570 -0.021 0.000 2.163 161 I HA -0.398 nan 4.170 nan 0.000 0.243 161 I C -1.012 175.093 176.117 -0.020 0.000 1.085 161 I CA 6.066 67.352 61.300 -0.024 0.000 1.347 161 I CB -2.834 35.148 38.000 -0.029 0.000 1.044 161 I HN 0.049 8.249 8.210 -0.018 0.000 0.408 162 P HA -0.198 nan 4.420 nan 0.000 0.216 162 P C 1.792 179.087 177.300 -0.009 0.000 1.153 162 P CA 2.986 66.078 63.100 -0.013 0.000 0.848 162 P CB -0.462 31.232 31.700 -0.010 0.000 0.787 163 Q N -2.414 117.382 119.800 -0.007 0.000 2.124 163 Q HA -0.288 nan 4.340 nan 0.000 0.202 163 Q C 2.688 178.690 176.000 0.004 0.000 0.977 163 Q CA 2.697 58.499 55.803 -0.001 0.000 0.850 163 Q CB -0.616 28.121 28.738 -0.001 0.000 0.901 163 Q HN -0.574 7.691 8.270 -0.009 0.000 0.429 164 L N 0.525 121.745 121.223 -0.004 0.000 2.017 164 L HA -0.342 nan 4.340 nan 0.000 0.208 164 L C 1.609 178.483 176.870 0.005 0.000 1.073 164 L CA 3.037 57.877 54.840 0.000 0.000 0.745 164 L CB -0.402 41.650 42.059 -0.012 0.000 0.894 164 L HN 0.193 8.416 8.230 -0.011 0.000 0.432 165 K N -1.346 119.051 120.400 -0.005 0.000 2.032 165 K HA -0.390 nan 4.320 nan 0.000 0.209 165 K C 2.387 178.988 176.600 0.001 0.000 1.048 165 K CA 3.849 60.132 56.287 -0.006 0.000 0.927 165 K CB -0.385 32.106 32.500 -0.015 0.000 0.712 165 K HN 0.105 8.349 8.250 -0.010 0.000 0.441 166 T N 2.997 117.552 114.554 0.001 0.000 2.708 166 T HA -0.251 nan 4.350 nan 0.000 0.266 166 T C 2.074 176.783 174.700 0.015 0.000 1.037 166 T CA 4.797 66.898 62.100 0.002 0.000 1.146 166 T CB -0.395 68.470 68.868 -0.004 0.000 0.865 166 T HN -0.251 7.988 8.240 -0.002 0.000 0.435 167 L N 0.060 121.303 121.223 0.033 0.000 2.083 167 L HA -0.309 nan 4.340 nan 0.000 0.209 167 L C 1.328 178.243 176.870 0.075 0.000 1.083 167 L CA 3.329 58.209 54.840 0.067 0.000 0.752 167 L CB -0.313 41.808 42.059 0.103 0.000 0.899 167 L HN -0.151 8.096 8.230 0.029 0.000 0.433 168 T N 2.379 116.968 114.554 0.058 0.000 2.746 168 T HA -0.412 nan 4.350 nan 0.000 0.267 168 T C 2.141 176.866 174.700 0.042 0.000 1.039 168 T CA 4.995 67.131 62.100 0.060 0.000 1.142 168 T CB -0.711 68.179 68.868 0.037 0.000 0.866 168 T HN -0.151 8.115 8.240 0.044 0.000 0.444 169 Q N 0.997 120.809 119.800 0.020 0.000 2.084 169 Q HA -0.334 nan 4.340 nan 0.000 0.202 169 Q C 2.138 178.138 176.000 -0.000 0.000 0.978 169 Q CA 3.606 59.411 55.803 0.003 0.000 0.844 169 Q CB -0.295 28.439 28.738 -0.007 0.000 0.898 169 Q HN -0.127 8.154 8.270 0.017 0.000 0.426 170 T N 3.235 117.794 114.554 0.009 0.000 2.684 170 T HA -0.268 nan 4.350 nan 0.000 0.267 170 T C 2.341 177.051 174.700 0.016 0.000 1.036 170 T CA 5.228 67.329 62.100 0.001 0.000 1.148 170 T CB -0.477 68.392 68.868 0.003 0.000 0.863 170 T HN -0.302 7.947 8.240 0.015 0.000 0.436 171 L N -0.037 121.227 121.223 0.069 0.000 2.141 171 L HA -0.402 nan 4.340 nan 0.000 0.209 171 L C 1.526 178.422 176.870 0.043 0.000 1.094 171 L CA 3.059 57.969 54.840 0.116 0.000 0.763 171 L CB -0.657 41.544 42.059 0.237 0.000 0.908 171 L HN -0.005 8.274 8.230 0.081 0.000 0.437 172 N N -0.459 118.252 118.700 0.018 0.000 2.188 172 N HA -0.340 nan 4.740 nan 0.000 0.184 172 N C 2.068 177.539 175.510 -0.064 0.000 1.018 172 N CA 3.802 56.842 53.050 -0.017 0.000 0.858 172 N CB 0.183 38.664 38.487 -0.011 0.000 0.989 172 N HN 0.130 8.421 8.380 0.029 0.107 0.426 173 E N 0.399 120.555 120.200 -0.074 0.000 2.077 173 E HA -0.356 nan 4.350 nan 0.000 0.193 173 E C 2.458 178.925 176.600 -0.222 0.000 0.989 173 E CA 3.268 59.597 56.400 -0.119 0.000 0.800 173 E CB -0.113 29.528 29.700 -0.098 0.000 0.746 173 E HN -0.208 8.039 8.360 -0.047 0.085 0.452 174 K N -1.191 119.068 120.400 -0.235 0.000 2.057 174 K HA -0.273 nan 4.320 nan 0.000 0.207 174 K C 2.669 178.977 176.600 -0.486 0.000 1.049 174 K CA 2.587 58.598 56.287 -0.460 0.000 0.931 174 K CB -0.419 31.972 32.500 -0.181 0.000 0.714 174 K HN -0.293 7.877 8.250 -0.133 0.000 0.440 175 S N -1.560 114.011 115.700 -0.216 0.000 2.370 175 S HA -0.256 nan 4.470 nan 0.000 0.226 175 S C 1.669 176.180 174.600 -0.148 0.000 1.033 175 S CA 2.540 60.653 58.200 -0.146 0.000 1.011 175 S CB -0.036 63.105 63.200 -0.098 0.000 0.852 175 S HN -0.132 8.092 8.310 -0.144 0.000 0.457 176 R N 1.181 121.585 120.500 -0.160 0.000 2.073 176 R HA -0.197 nan 4.340 nan 0.000 0.234 176 R C 2.008 178.215 176.300 -0.156 0.000 1.134 176 R CA 2.423 58.447 56.100 -0.127 0.000 0.952 176 R CB 0.233 30.468 30.300 -0.109 0.000 0.850 176 R HN -0.544 7.630 8.270 -0.159 0.000 0.433 177 A N -0.474 122.162 122.820 -0.307 0.000 1.972 177 A HA -0.143 nan 4.320 nan 0.000 0.219 177 A C 1.586 179.092 177.584 -0.130 0.000 1.169 177 A CA 2.578 54.412 52.037 -0.339 0.000 0.635 177 A CB -0.172 18.453 19.000 -0.626 0.000 0.810 177 A HN -0.061 7.863 8.150 -0.377 0.000 0.446 178 F N -5.361 114.573 119.950 -0.027 0.000 2.684 178 F HA 0.241 nan 4.527 nan 0.000 0.298 178 F C -0.374 175.403 175.800 -0.039 0.000 1.120 178 F CA -3.632 54.349 58.000 -0.032 0.000 1.332 178 F CB -1.694 37.282 39.000 -0.039 0.000 0.986 178 F HN -0.363 7.674 8.300 -0.407 0.019 0.524 179 A N 0.248 123.120 122.820 0.087 0.000 2.070 179 A HA -0.290 nan 4.320 nan 0.000 0.220 179 A C 0.497 178.105 177.584 0.040 0.000 1.159 179 A CA 3.177 55.236 52.037 0.036 0.000 0.656 179 A CB -0.504 18.497 19.000 0.001 0.000 0.800 179 A HN -0.684 7.410 8.150 0.041 0.082 0.453 180 D N -5.621 114.814 120.400 0.058 0.000 2.360 180 D HA -0.064 nan 4.640 nan 0.000 0.210 180 D C -0.228 176.092 176.300 0.034 0.000 1.047 180 D CA -0.365 53.659 54.000 0.040 0.000 0.854 180 D CB 0.149 40.972 40.800 0.038 0.000 0.936 180 D HN 0.196 8.564 8.370 0.087 0.054 0.514 181 I N 2.228 122.825 120.570 0.045 0.000 2.308 181 I HA -0.002 nan 4.170 nan 0.000 0.293 181 I C -1.325 174.791 176.117 -0.001 0.000 1.078 181 I CA -0.144 61.164 61.300 0.012 0.000 1.292 181 I CB -0.196 37.793 38.000 -0.018 0.000 1.423 181 I HN -0.740 7.411 8.210 0.079 0.106 0.493 182 V N 8.594 128.505 119.914 -0.005 0.000 2.530 182 V HA 0.175 nan 4.120 nan 0.000 0.282 182 V C -0.976 175.110 176.094 -0.012 0.000 1.048 182 V CA -0.386 61.910 62.300 -0.007 0.000 0.997 182 V CB -0.793 31.028 31.823 -0.004 0.000 0.987 182 V HN 0.400 8.588 8.190 -0.003 0.000 0.477 183 K N 3.246 123.639 120.400 -0.013 0.000 2.466 183 K HA 0.492 nan 4.320 nan 0.000 0.260 183 K C -1.789 174.807 176.600 -0.007 0.000 1.011 183 K CA -3.112 53.168 56.287 -0.011 0.000 0.871 183 K CB 3.564 36.054 32.500 -0.016 0.000 1.404 183 K HN 0.638 8.881 8.250 -0.013 0.000 0.450 184 I N 0.316 120.885 120.570 -0.003 0.000 2.496 184 I HA -0.060 nan 4.170 nan 0.000 0.285 184 I C -0.459 175.656 176.117 -0.002 0.000 1.080 184 I CA -0.846 60.453 61.300 -0.002 0.000 1.404 184 I CB 0.808 38.808 38.000 -0.000 0.000 1.403 184 I HN 0.436 8.645 8.210 -0.001 0.000 0.539 185 G N 5.173 113.970 108.800 -0.005 0.000 2.537 185 G HA2 0.176 nan 3.960 nan 0.000 0.273 185 G HA3 0.176 nan 3.960 nan 0.000 0.273 185 G C -2.279 172.617 174.900 -0.008 0.000 1.189 185 G CA -0.860 44.237 45.100 -0.005 0.000 0.881 185 G HN -0.242 8.044 8.290 -0.007 0.000 0.535 186 R N -0.301 120.195 120.500 -0.008 0.000 2.510 186 R HA 0.554 nan 4.340 nan 0.000 0.294 186 R C -1.062 175.224 176.300 -0.023 0.000 1.056 186 R CA -0.500 55.588 56.100 -0.020 0.000 0.918 186 R CB 3.072 33.356 30.300 -0.027 0.000 1.187 186 R HN 0.171 8.440 8.270 -0.002 0.000 0.437 187 T N 0.247 114.784 114.554 -0.027 0.000 2.861 187 T HA 0.455 nan 4.350 nan 0.000 0.287 187 T C 0.041 174.719 174.700 -0.037 0.000 1.003 187 T CA -1.361 60.723 62.100 -0.026 0.000 0.977 187 T CB 2.065 70.923 68.868 -0.017 0.000 0.996 187 T HN 0.428 8.651 8.240 -0.029 0.000 0.448 188 N N 3.140 121.815 118.700 -0.042 0.000 2.741 188 N HA -0.381 nan 4.740 nan 0.000 0.251 188 N C -0.344 175.125 175.510 -0.068 0.000 1.112 188 N CA 1.064 54.085 53.050 -0.048 0.000 0.750 188 N CB -1.041 37.425 38.487 -0.035 0.000 1.119 188 N HN 0.882 9.239 8.380 -0.039 0.000 0.561 189 L N -11.085 110.086 121.223 -0.085 0.000 5.081 189 L HA -0.474 nan 4.340 nan 0.000 0.423 189 L C -1.131 175.689 176.870 -0.082 0.000 1.019 189 L CA 1.506 56.278 54.840 -0.114 0.000 1.223 189 L CB -1.393 40.575 42.059 -0.151 0.000 1.940 189 L HN -0.265 7.866 8.230 -0.077 0.053 0.675 190 Q N -1.800 117.965 119.800 -0.059 0.000 2.226 190 Q HA 0.202 nan 4.340 nan 0.000 0.256 190 Q C -0.514 175.462 176.000 -0.039 0.000 0.962 190 Q CA -1.750 54.025 55.803 -0.047 0.000 0.887 190 Q CB 1.388 30.102 28.738 -0.041 0.000 1.282 190 Q HN -0.333 7.718 8.270 -0.054 0.186 0.449 191 D N 0.644 121.021 120.400 -0.038 0.000 2.493 191 D HA -0.091 nan 4.640 nan 0.000 0.240 191 D C -1.113 175.170 176.300 -0.028 0.000 1.142 191 D CA 1.328 55.309 54.000 -0.031 0.000 0.872 191 D CB 0.043 40.822 40.800 -0.034 0.000 1.173 191 D HN 0.099 8.444 8.370 -0.042 0.000 0.467 192 A N 3.676 126.484 122.820 -0.020 0.000 2.539 192 A HA 0.390 nan 4.320 nan 0.000 0.272 192 A C -1.371 176.205 177.584 -0.013 0.000 1.286 192 A CA -1.295 50.732 52.037 -0.017 0.000 0.792 192 A CB 2.874 21.865 19.000 -0.014 0.000 1.355 192 A HN 0.374 8.438 8.150 -0.017 0.076 0.472 193 T N -2.597 111.951 114.554 -0.010 0.000 2.926 193 T HA 0.143 nan 4.350 nan 0.000 0.307 193 T C -1.246 173.449 174.700 -0.008 0.000 1.059 193 T CA -2.175 59.920 62.100 -0.009 0.000 1.122 193 T CB -0.624 68.240 68.868 -0.007 0.000 0.972 193 T HN 0.203 8.437 8.240 -0.009 0.000 0.545 194 P HA 0.387 nan 4.420 nan 0.000 0.272 194 P C -2.055 175.240 177.300 -0.009 0.000 1.230 194 P CA -0.600 62.495 63.100 -0.008 0.000 0.788 194 P CB 0.708 32.404 31.700 -0.006 0.000 0.949 195 L N -5.862 115.354 121.223 -0.012 0.000 2.671 195 L HA 0.764 nan 4.340 nan 0.000 0.259 195 L C -1.486 175.372 176.870 -0.019 0.000 1.021 195 L CA -0.947 53.883 54.840 -0.016 0.000 0.871 195 L CB 3.455 45.501 42.059 -0.021 0.000 1.472 195 L HN 0.256 8.479 8.230 -0.012 0.000 0.410 196 T N -4.623 109.919 114.554 -0.020 0.000 2.913 196 T HA 0.528 nan 4.350 nan 0.000 0.287 196 T C 0.706 175.388 174.700 -0.029 0.000 1.008 196 T CA -1.030 61.061 62.100 -0.015 0.000 1.067 196 T CB 1.991 70.858 68.868 -0.002 0.000 0.996 196 T HN 0.476 9.090 8.240 -0.021 -0.387 0.513 197 L N 3.182 124.395 121.223 -0.015 0.000 2.079 197 L HA -0.204 nan 4.340 nan 0.000 0.210 197 L C 1.298 178.150 176.870 -0.029 0.000 1.081 197 L CA 2.816 57.639 54.840 -0.027 0.000 0.752 197 L CB -0.382 41.668 42.059 -0.014 0.000 0.896 197 L HN 0.790 9.017 8.230 -0.004 0.000 0.433 198 G N -3.051 105.766 108.800 0.027 0.000 2.422 198 G HA2 -0.393 nan 3.960 nan 0.000 0.218 198 G HA3 -0.393 nan 3.960 nan 0.000 0.218 198 G C 1.194 176.044 174.900 -0.084 0.000 1.146 198 G CA 1.983 47.077 45.100 -0.010 0.000 0.769 198 G HN -0.279 8.036 8.290 0.057 0.009 0.547 199 Q N 1.184 120.939 119.800 -0.074 0.000 2.046 199 Q HA -0.371 nan 4.340 nan 0.000 0.200 199 Q C 2.120 178.033 176.000 -0.145 0.000 0.975 199 Q CA 3.272 59.025 55.803 -0.083 0.000 0.836 199 Q CB -0.174 28.532 28.738 -0.053 0.000 0.896 199 Q HN -0.398 7.744 8.270 -0.048 0.100 0.428 200 E N 0.325 120.412 120.200 -0.188 0.000 2.085 200 E HA -0.295 nan 4.350 nan 0.000 0.194 200 E C 2.674 178.887 176.600 -0.646 0.000 0.994 200 E CA 2.958 59.178 56.400 -0.300 0.000 0.801 200 E CB -0.039 29.512 29.700 -0.248 0.000 0.743 200 E HN -0.453 7.821 8.360 -0.143 0.000 0.453 201 I N -1.736 118.428 120.570 -0.676 0.000 2.394 201 I HA -0.418 nan 4.170 nan 0.000 0.251 201 I C 1.618 177.514 176.117 -0.369 0.000 1.136 201 I CA 3.274 64.062 61.300 -0.854 0.000 1.425 201 I CB -0.102 37.619 38.000 -0.466 0.000 1.079 201 I HN -0.054 7.892 8.210 -0.439 0.000 0.425 202 S N 0.603 116.177 115.700 -0.210 0.000 2.419 202 S HA -0.311 nan 4.470 nan 0.000 0.233 202 S C 2.501 177.088 174.600 -0.023 0.000 1.016 202 S CA 3.386 61.541 58.200 -0.076 0.000 0.974 202 S CB -0.572 62.594 63.200 -0.056 0.000 0.786 202 S HN 0.114 8.201 8.310 -0.216 0.094 0.492 203 G N 1.295 110.051 108.800 -0.074 0.000 2.418 203 G HA2 -0.213 nan 3.960 nan 0.000 0.217 203 G HA3 -0.213 nan 3.960 nan 0.000 0.217 203 G C 0.714 175.733 174.900 0.200 0.000 1.158 203 G CA 2.035 47.159 45.100 0.040 0.000 0.771 203 G HN -0.213 7.845 8.290 -0.182 0.122 0.545 204 W N 0.888 122.224 121.300 0.059 0.000 2.358 204 W HA -0.132 nan 4.660 nan 0.000 0.303 204 W C 2.476 179.032 176.519 0.063 0.000 1.208 204 W CA 0.758 58.141 57.345 0.063 0.000 1.274 204 W CB -0.965 28.543 29.460 0.080 0.000 1.138 204 W HN -0.780 7.264 8.180 -0.080 0.089 0.515 205 V N -0.251 119.825 119.914 0.270 0.000 2.295 205 V HA -0.519 nan 4.120 nan 0.000 0.246 205 V C 1.951 178.130 176.094 0.142 0.000 1.049 205 V CA 4.574 66.974 62.300 0.166 0.000 1.024 205 V CB -1.251 30.629 31.823 0.094 0.000 0.648 205 V HN -0.095 8.162 8.190 0.227 0.069 0.447 206 A N -1.414 121.495 122.820 0.148 0.000 1.933 206 A HA -0.374 nan 4.320 nan 0.000 0.218 206 A C 2.004 179.766 177.584 0.297 0.000 1.175 206 A CA 3.301 55.453 52.037 0.192 0.000 0.628 206 A CB -0.739 18.378 19.000 0.196 0.000 0.814 206 A HN 0.014 8.245 8.150 0.135 0.000 0.444 207 M N -1.382 118.356 119.600 0.230 0.000 2.086 207 M HA -0.448 nan 4.480 nan 0.000 0.261 207 M C 2.274 178.679 176.300 0.174 0.000 1.067 207 M CA 4.204 59.619 55.300 0.190 0.000 1.116 207 M CB -0.086 32.601 32.600 0.144 0.000 1.348 207 M HN -0.420 7.908 8.290 0.215 0.091 0.407 208 L N -2.009 119.299 121.223 0.141 0.000 2.093 208 L HA -0.424 nan 4.340 nan 0.000 0.208 208 L C 2.297 179.211 176.870 0.074 0.000 1.085 208 L CA 2.902 57.798 54.840 0.093 0.000 0.755 208 L CB -0.880 41.230 42.059 0.085 0.000 0.904 208 L HN -0.285 8.041 8.230 0.160 0.000 0.435 209 E N -0.902 119.338 120.200 0.067 0.000 2.072 209 E HA -0.391 nan 4.350 nan 0.000 0.191 209 E C 2.687 179.261 176.600 -0.044 0.000 0.985 209 E CA 3.268 59.658 56.400 -0.016 0.000 0.801 209 E CB -0.250 29.413 29.700 -0.062 0.000 0.750 209 E HN -0.018 8.400 8.360 0.097 0.000 0.452 210 H N -0.991 118.092 119.070 0.021 0.000 2.353 210 H HA -0.210 nan 4.556 nan 0.000 0.300 210 H C 2.765 178.143 175.328 0.084 0.000 1.090 210 H CA 3.803 59.871 56.048 0.033 0.000 1.327 210 H CB -0.026 29.801 29.762 0.107 0.000 1.383 210 H HN -0.183 8.228 8.280 0.218 0.000 0.508 211 N N 0.057 118.895 118.700 0.230 0.000 2.166 211 N HA -0.303 nan 4.740 nan 0.000 0.186 211 N C 2.125 177.678 175.510 0.072 0.000 1.019 211 N CA 3.347 56.502 53.050 0.174 0.000 0.856 211 N CB -0.072 38.467 38.487 0.086 0.000 0.993 211 N HN -0.302 8.205 8.380 0.213 0.000 0.426 212 L N 0.422 121.645 121.223 0.001 0.000 2.012 212 L HA -0.322 nan 4.340 nan 0.000 0.210 212 L C 1.082 177.862 176.870 -0.149 0.000 1.073 212 L CA 3.302 58.105 54.840 -0.062 0.000 0.748 212 L CB -0.276 41.741 42.059 -0.070 0.000 0.891 212 L HN -0.194 8.045 8.230 0.015 0.000 0.431 213 K N -1.269 118.992 120.400 -0.232 0.000 2.032 213 K HA -0.479 nan 4.320 nan 0.000 0.209 213 K C 2.084 178.284 176.600 -0.666 0.000 1.048 213 K CA 3.561 59.546 56.287 -0.503 0.000 0.927 213 K CB -0.358 31.851 32.500 -0.485 0.000 0.712 213 K HN -0.692 7.454 8.250 -0.172 0.000 0.441 214 H N -1.136 117.814 119.070 -0.199 0.000 2.353 214 H HA -0.221 nan 4.556 nan 0.000 0.300 214 H C 2.952 178.272 175.328 -0.012 0.000 1.090 214 H CA 3.570 59.616 56.048 -0.003 0.000 1.327 214 H CB 0.184 29.991 29.762 0.075 0.000 1.383 214 H HN -0.533 7.584 8.280 -0.145 0.076 0.508 215 I N -0.879 119.726 120.570 0.057 0.000 2.315 215 I HA -0.470 nan 4.170 nan 0.000 0.248 215 I C 2.611 178.726 176.117 -0.005 0.000 1.117 215 I CA 3.668 64.987 61.300 0.031 0.000 1.404 215 I CB -0.128 37.872 38.000 -0.001 0.000 1.071 215 I HN 0.121 8.355 8.210 0.039 0.000 0.419 216 E N 0.433 120.568 120.200 -0.110 0.000 2.150 216 E HA -0.305 nan 4.350 nan 0.000 0.193 216 E C 2.952 179.540 176.600 -0.021 0.000 0.985 216 E CA 3.055 59.385 56.400 -0.117 0.000 0.814 216 E CB -0.270 29.300 29.700 -0.217 0.000 0.752 216 E HN -0.076 8.100 8.360 -0.176 0.078 0.466 217 Y N -2.668 117.644 120.300 0.019 0.000 2.421 217 Y HA -0.208 nan 4.550 nan 0.000 0.292 217 Y C 1.029 176.959 175.900 0.050 0.000 1.136 217 Y CA 1.038 59.156 58.100 0.029 0.000 1.255 217 Y CB -0.720 37.766 38.460 0.043 0.000 0.991 217 Y HN -0.358 7.698 8.280 -0.202 0.103 0.552 218 S N -1.963 113.861 115.700 0.207 0.000 2.528 218 S HA -0.065 nan 4.470 nan 0.000 0.219 218 S C 1.451 176.109 174.600 0.097 0.000 0.985 218 S CA 1.242 59.534 58.200 0.154 0.000 0.914 218 S CB 0.561 63.846 63.200 0.142 0.000 0.776 218 S HN -0.604 7.664 8.310 0.172 0.146 0.526 219 L N 2.108 123.372 121.223 0.068 0.000 2.056 219 L HA -0.129 nan 4.340 nan 0.000 0.207 219 L C -0.851 176.028 176.870 0.015 0.000 1.078 219 L CA 4.140 58.989 54.840 0.015 0.000 0.749 219 L CB -2.464 39.586 42.059 -0.015 0.000 0.901 219 L HN -0.739 7.376 8.230 0.078 0.162 0.433 220 P HA -0.268 nan 4.420 nan 0.000 0.216 220 P C 0.913 178.277 177.300 0.107 0.000 1.153 220 P CA 2.928 66.060 63.100 0.053 0.000 0.858 220 P CB -0.442 31.292 31.700 0.057 0.000 0.789 221 H N -3.756 115.316 119.070 0.003 0.000 2.389 221 H HA -0.095 nan 4.556 nan 0.000 0.299 221 H C 2.527 177.830 175.328 -0.042 0.000 1.081 221 H CA 2.170 58.222 56.048 0.006 0.000 1.345 221 H CB -0.073 29.697 29.762 0.014 0.000 1.393 221 H HN -0.309 8.071 8.280 0.191 0.014 0.520 222 V N -1.238 118.631 119.914 -0.074 0.000 2.626 222 V HA -0.264 nan 4.120 nan 0.000 0.252 222 V C 1.133 177.149 176.094 -0.129 0.000 1.067 222 V CA 2.889 64.955 62.300 -0.390 0.000 1.081 222 V CB -0.989 30.628 31.823 -0.344 0.000 0.686 222 V HN -0.725 7.453 8.190 -0.020 0.000 0.468 223 A N -3.068 119.772 122.820 0.033 0.000 2.168 223 A HA -0.108 nan 4.320 nan 0.000 0.215 223 A C -0.601 177.166 177.584 0.304 0.000 1.152 223 A CA 1.033 53.153 52.037 0.138 0.000 0.716 223 A CB 0.344 19.326 19.000 -0.031 0.000 0.794 223 A HN -0.439 7.593 8.150 0.014 0.126 0.465 224 E N -1.903 118.464 120.200 0.279 0.000 2.290 224 E HA 0.140 nan 4.350 nan 0.000 0.277 224 E C -0.800 175.967 176.600 0.279 0.000 1.035 224 E CA 0.114 56.669 56.400 0.260 0.000 0.873 224 E CB 0.360 30.212 29.700 0.254 0.000 1.029 224 E HN -0.754 7.593 8.360 0.253 0.165 0.419 225 L N 2.871 124.178 121.223 0.141 0.000 2.325 225 L HA 0.342 nan 4.340 nan 0.000 0.278 225 L C 0.234 177.078 176.870 -0.043 0.000 1.023 225 L CA -1.663 53.186 54.840 0.015 0.000 0.811 225 L CB 1.783 43.810 42.059 -0.053 0.000 1.249 225 L HN 0.676 8.980 8.230 0.124 0.000 0.431 226 A N 4.066 126.820 122.820 -0.110 0.000 2.067 226 A HA -0.002 nan 4.320 nan 0.000 0.217 226 A C 0.217 177.762 177.584 -0.065 0.000 1.156 226 A CA 1.432 53.411 52.037 -0.097 0.000 0.683 226 A CB -0.025 18.899 19.000 -0.125 0.000 0.808 226 A HN 0.513 8.561 8.150 -0.170 0.000 0.455 227 L N -1.482 119.704 121.223 -0.063 0.000 2.667 227 L HA -0.563 nan 4.340 nan 0.000 0.278 227 L C -0.014 176.873 176.870 0.029 0.000 1.217 227 L CA 2.003 56.835 54.840 -0.013 0.000 0.935 227 L CB -0.304 41.721 42.059 -0.057 0.000 1.193 227 L HN -0.553 7.590 8.230 -0.092 0.032 0.493 228 G N 2.493 111.366 108.800 0.121 0.000 2.316 228 G HA2 -0.280 nan 3.960 nan 0.000 0.203 228 G HA3 -0.280 nan 3.960 nan 0.000 0.203 228 G C 0.308 175.233 174.900 0.042 0.000 0.999 228 G CA 0.083 45.280 45.100 0.161 0.000 0.649 228 G HN 0.426 9.089 8.290 0.136 -0.291 0.489 229 G N 0.206 108.992 108.800 -0.024 0.000 2.448 229 G HA2 -0.148 nan 3.960 nan 0.000 0.218 229 G HA3 -0.148 nan 3.960 nan 0.000 0.218 229 G C -0.780 174.082 174.900 -0.063 0.000 1.135 229 G CA 0.655 45.695 45.100 -0.100 0.000 0.784 229 G HN 0.022 8.229 8.290 -0.020 0.071 0.543 230 T N 0.008 114.550 114.554 -0.019 0.000 0.541 230 T HA -0.486 nan 4.350 nan 0.000 0.774 230 T C 0.358 175.053 174.700 -0.008 0.000 0.992 230 T CA 1.632 63.726 62.100 -0.011 0.000 4.077 230 T CB -0.929 67.929 68.868 -0.017 0.000 2.303 230 T HN -0.567 7.914 8.240 -0.000 -0.241 0.398 231 A N 2.393 125.214 122.820 0.002 0.000 1.884 231 A HA -0.213 nan 4.320 nan 0.000 0.219 231 A C 0.979 178.582 177.584 0.031 0.000 1.197 231 A CA 3.142 55.188 52.037 0.015 0.000 0.637 231 A CB 0.042 19.052 19.000 0.017 0.000 0.827 231 A HN 0.600 8.750 8.150 -0.000 0.000 0.450 232 V N -9.479 110.462 119.914 0.046 0.000 3.477 232 V HA 0.408 nan 4.120 nan 0.000 0.297 232 V C 0.408 176.560 176.094 0.098 0.000 1.433 232 V CA -0.965 61.394 62.300 0.098 0.000 1.052 232 V CB 0.090 31.995 31.823 0.137 0.000 0.895 232 V HN -0.243 7.971 8.190 0.041 0.000 0.438 233 G N -0.334 108.425 108.800 -0.070 0.000 2.238 233 G HA2 -0.309 nan 3.960 nan 0.000 0.217 233 G HA3 -0.309 nan 3.960 nan 0.000 0.217 233 G C -0.757 173.862 174.900 -0.469 0.000 0.996 233 G CA 0.456 45.296 45.100 -0.434 0.000 0.632 233 G HN -0.137 8.123 8.290 -0.049 0.000 0.503 234 T N -4.688 109.848 114.554 -0.029 0.000 2.951 234 T HA -0.129 nan 4.350 nan 0.000 0.268 234 T C 1.229 175.937 174.700 0.014 0.000 1.073 234 T CA 0.291 62.450 62.100 0.098 0.000 1.134 234 T CB -0.355 68.611 68.868 0.163 0.000 0.884 234 T HN -0.252 7.981 8.240 0.081 0.056 0.479 235 G N 1.199 109.987 108.800 -0.020 0.000 2.141 235 G HA2 -0.383 nan 3.960 nan 0.000 0.242 235 G HA3 -0.383 nan 3.960 nan 0.000 0.242 235 G C -1.596 173.303 174.900 -0.003 0.000 0.982 235 G CA -0.175 44.918 45.100 -0.011 0.000 0.662 235 G HN -0.302 7.938 8.290 -0.033 0.030 0.527 236 L N 0.207 121.433 121.223 0.005 0.000 2.540 236 L HA -0.259 nan 4.340 nan 0.000 0.276 236 L C -0.659 176.200 176.870 -0.018 0.000 1.212 236 L CA 1.123 55.964 54.840 0.001 0.000 0.893 236 L CB 0.012 42.078 42.059 0.011 0.000 1.138 236 L HN -0.842 7.352 8.230 0.015 0.045 0.491 237 N N 0.312 118.997 118.700 -0.024 0.000 2.861 237 N HA -0.227 nan 4.740 nan 0.000 0.247 237 N C -1.290 174.175 175.510 -0.075 0.000 1.117 237 N CA 0.735 53.760 53.050 -0.042 0.000 0.703 237 N CB -1.746 36.715 38.487 -0.043 0.000 1.052 237 N HN 0.476 8.846 8.380 -0.016 0.000 0.555 238 T N -6.213 108.305 114.554 -0.060 0.000 2.900 238 T HA 0.326 nan 4.350 nan 0.000 0.303 238 T C -1.582 173.124 174.700 0.010 0.000 1.142 238 T CA -1.664 60.383 62.100 -0.088 0.000 1.007 238 T CB 2.838 71.652 68.868 -0.089 0.000 1.156 238 T HN -0.656 7.564 8.240 -0.034 0.000 0.490 239 H N 4.840 123.888 119.070 -0.037 0.000 2.764 239 H HA 0.205 nan 4.556 nan 0.000 0.341 239 H C 1.025 176.399 175.328 0.076 0.000 1.072 239 H CA -1.893 54.173 56.048 0.031 0.000 1.444 239 H CB 0.488 30.283 29.762 0.056 0.000 1.458 239 H HN 0.033 8.358 8.280 0.076 0.000 0.572 240 P HA -0.283 nan 4.420 nan 0.000 0.218 240 P C 0.200 177.493 177.300 -0.012 0.000 1.146 240 P CA 2.287 65.282 63.100 -0.176 0.000 0.820 240 P CB 0.269 31.812 31.700 -0.261 0.000 0.778 241 E N -3.610 116.668 120.200 0.130 0.000 2.474 241 E HA 0.022 nan 4.350 nan 0.000 0.194 241 E C 1.464 178.205 176.600 0.234 0.000 1.041 241 E CA 0.215 56.751 56.400 0.227 0.000 0.874 241 E CB 0.237 30.119 29.700 0.303 0.000 0.914 241 E HN -0.321 8.052 8.360 0.082 0.037 0.498 242 Y N 2.143 122.545 120.300 0.170 0.000 2.081 242 Y HA -0.572 nan 4.550 nan 0.000 0.280 242 Y C 0.641 176.566 175.900 0.041 0.000 1.163 242 Y CA 4.390 62.545 58.100 0.092 0.000 1.135 242 Y CB -0.121 38.391 38.460 0.087 0.000 0.970 242 Y HN 0.082 8.449 8.280 0.441 0.178 0.498 243 A N -2.123 120.725 122.820 0.047 0.000 1.883 243 A HA -0.424 nan 4.320 nan 0.000 0.217 243 A C 2.078 179.603 177.584 -0.098 0.000 1.186 243 A CA 3.538 55.540 52.037 -0.057 0.000 0.624 243 A CB -1.236 17.780 19.000 0.027 0.000 0.822 243 A HN 0.479 8.742 8.150 0.188 0.000 0.444 244 R N -1.549 118.927 120.500 -0.039 0.000 2.075 244 R HA -0.203 nan 4.340 nan 0.000 0.232 244 R C 2.346 178.613 176.300 -0.056 0.000 1.126 244 R CA 1.673 57.756 56.100 -0.029 0.000 0.963 244 R CB -0.847 29.455 30.300 0.005 0.000 0.858 244 R HN -0.327 7.944 8.270 0.000 0.000 0.435 245 R N -0.497 119.961 120.500 -0.071 0.000 2.073 245 R HA -0.333 nan 4.340 nan 0.000 0.234 245 R C 2.376 178.586 176.300 -0.151 0.000 1.134 245 R CA 3.846 59.895 56.100 -0.085 0.000 0.952 245 R CB -0.208 30.056 30.300 -0.060 0.000 0.850 245 R HN 0.006 8.248 8.270 -0.045 0.000 0.433 246 V N -0.827 118.910 119.914 -0.296 0.000 2.407 246 V HA -0.315 nan 4.120 nan 0.000 0.248 246 V C 1.224 177.205 176.094 -0.188 0.000 1.055 246 V CA 3.403 65.511 62.300 -0.321 0.000 1.049 246 V CB -0.545 30.922 31.823 -0.593 0.000 0.662 246 V HN 0.235 8.191 8.190 -0.391 0.000 0.455 247 A N -0.842 121.892 122.820 -0.144 0.000 1.902 247 A HA -0.360 nan 4.320 nan 0.000 0.217 247 A C 1.841 179.423 177.584 -0.004 0.000 1.181 247 A CA 3.593 55.593 52.037 -0.061 0.000 0.623 247 A CB -0.876 18.113 19.000 -0.018 0.000 0.818 247 A HN -0.179 7.873 8.150 -0.163 0.000 0.443 248 D N -1.242 119.149 120.400 -0.016 0.000 2.097 248 D HA -0.301 nan 4.640 nan 0.000 0.195 248 D C 2.446 178.749 176.300 0.005 0.000 0.989 248 D CA 3.468 57.472 54.000 0.007 0.000 0.827 248 D CB -0.351 40.447 40.800 -0.003 0.000 0.966 248 D HN -0.035 8.311 8.370 -0.041 0.000 0.456 249 E N 0.736 120.919 120.200 -0.028 0.000 2.058 249 E HA -0.275 nan 4.350 nan 0.000 0.194 249 E C 2.266 178.859 176.600 -0.011 0.000 0.997 249 E CA 2.569 58.953 56.400 -0.026 0.000 0.801 249 E CB -0.339 29.328 29.700 -0.054 0.000 0.746 249 E HN -0.070 8.258 8.360 -0.053 0.000 0.450 250 L N -1.416 119.788 121.223 -0.031 0.000 2.046 250 L HA -0.293 nan 4.340 nan 0.000 0.208 250 L C 2.104 179.049 176.870 0.126 0.000 1.077 250 L CA 2.591 57.413 54.840 -0.030 0.000 0.747 250 L CB -1.140 40.807 42.059 -0.186 0.000 0.896 250 L HN -0.043 8.151 8.230 -0.060 0.000 0.432 251 A N -0.452 122.474 122.820 0.176 0.000 1.877 251 A HA -0.347 nan 4.320 nan 0.000 0.216 251 A C 2.579 180.230 177.584 0.112 0.000 1.186 251 A CA 3.348 55.511 52.037 0.210 0.000 0.620 251 A CB -0.794 18.288 19.000 0.137 0.000 0.822 251 A HN -0.163 7.980 8.150 0.118 0.078 0.443 252 V N -0.266 119.687 119.914 0.066 0.000 2.261 252 V HA -0.407 nan 4.120 nan 0.000 0.246 252 V C 2.030 178.148 176.094 0.039 0.000 1.047 252 V CA 3.907 66.230 62.300 0.039 0.000 1.015 252 V CB -0.399 31.437 31.823 0.021 0.000 0.642 252 V HN -0.202 8.022 8.190 0.058 0.000 0.446 253 I N -4.247 116.347 120.570 0.039 0.000 2.676 253 I HA -0.189 nan 4.170 nan 0.000 0.259 253 I C 1.509 177.656 176.117 0.050 0.000 1.194 253 I CA 2.516 63.835 61.300 0.032 0.000 1.473 253 I CB 0.094 38.102 38.000 0.013 0.000 1.096 253 I HN -0.040 8.192 8.210 0.037 0.000 0.443 254 T N -6.073 108.536 114.554 0.092 0.000 3.014 254 T HA 0.145 nan 4.350 nan 0.000 0.250 254 T C 0.419 175.169 174.700 0.084 0.000 1.060 254 T CA 0.125 62.296 62.100 0.119 0.000 1.040 254 T CB 1.052 70.071 68.868 0.251 0.000 0.971 254 T HN -0.255 8.035 8.240 0.116 0.020 0.497 255 C N -0.108 119.232 119.300 0.066 0.000 4.417 255 C HA -0.453 nan 4.460 nan 0.000 0.284 255 C C -1.118 173.863 174.990 -0.015 0.000 1.379 255 C CA 0.035 59.068 59.018 0.024 0.000 1.918 255 C CB -2.903 24.844 27.740 0.013 0.000 1.280 255 C HN 0.204 8.482 8.230 0.080 0.000 0.783 256 A N -0.935 121.866 122.820 -0.032 0.000 2.337 256 A HA 0.519 nan 4.320 nan 0.000 0.331 256 A C -2.498 174.924 177.584 -0.271 0.000 1.137 256 A CA -2.323 49.581 52.037 -0.221 0.000 0.807 256 A CB 1.331 20.081 19.000 -0.418 0.000 1.250 256 A HN -0.748 7.403 8.150 0.060 0.035 0.468 257 P HA 0.080 nan 4.420 nan 0.000 0.231 257 P C -1.777 175.399 177.300 -0.206 0.000 1.756 257 P CA -0.212 62.772 63.100 -0.194 0.000 0.990 257 P CB -1.597 30.018 31.700 -0.141 0.000 1.973 258 F N 1.863 121.813 119.950 0.000 0.000 2.429 258 F HA -0.025 nan 4.527 nan 0.000 0.348 258 F C -0.016 175.785 175.800 0.001 0.000 1.109 258 F CA 0.851 58.852 58.000 0.003 0.000 1.232 258 F CB 1.161 40.159 39.000 -0.004 0.000 1.157 258 F HN -0.478 7.763 8.300 -0.002 0.058 0.564 259 V N -1.707 118.343 119.914 0.228 0.000 3.078 259 V HA 0.428 nan 4.120 nan 0.000 0.311 259 V C -1.325 174.832 176.094 0.104 0.000 1.138 259 V CA -2.694 59.679 62.300 0.122 0.000 1.007 259 V CB 3.599 35.470 31.823 0.080 0.000 1.045 259 V HN 0.443 8.808 8.190 0.292 0.000 0.432 260 T N 1.396 115.983 114.554 0.054 0.000 2.884 260 T HA 0.206 nan 4.350 nan 0.000 0.298 260 T C 0.469 175.194 174.700 0.040 0.000 0.998 260 T CA -0.845 61.273 62.100 0.029 0.000 1.124 260 T CB 0.022 68.891 68.868 0.002 0.000 0.931 260 T HN 0.134 8.400 8.240 0.044 0.000 0.531 261 A N 8.739 131.581 122.820 0.038 0.000 2.524 261 A HA 0.220 nan 4.320 nan 0.000 0.250 261 A C -0.674 176.925 177.584 0.025 0.000 1.078 261 A CA -1.547 50.519 52.037 0.047 0.000 0.761 261 A CB -0.655 18.369 19.000 0.041 0.000 1.012 261 A HN 0.406 8.568 8.150 0.021 0.000 0.500 262 P HA -0.145 nan 4.420 nan 0.000 0.218 262 P C -0.729 176.591 177.300 0.033 0.000 1.149 262 P CA 1.518 64.634 63.100 0.028 0.000 0.817 262 P CB 0.288 32.003 31.700 0.025 0.000 0.785 263 N N -1.490 117.233 118.700 0.039 0.000 2.573 263 N HA 0.102 nan 4.740 nan 0.000 0.262 263 N C -0.397 175.106 175.510 -0.012 0.000 1.029 263 N CA -1.021 52.066 53.050 0.061 0.000 0.882 263 N CB 0.901 39.463 38.487 0.125 0.000 1.204 263 N HN 0.028 8.418 8.380 0.041 0.014 0.519 264 K N 5.146 125.436 120.400 -0.184 0.000 2.283 264 K HA -0.164 nan 4.320 nan 0.000 0.202 264 K C 1.979 178.373 176.600 -0.343 0.000 1.048 264 K CA 1.505 57.612 56.287 -0.301 0.000 0.948 264 K CB -0.329 31.921 32.500 -0.418 0.000 0.742 264 K HN 0.576 8.702 8.250 -0.206 0.000 0.458 265 F N -0.335 119.640 119.950 0.042 0.000 2.163 265 F HA -0.235 nan 4.527 nan 0.000 0.297 265 F C 2.022 177.852 175.800 0.052 0.000 1.094 265 F CA 3.564 61.592 58.000 0.046 0.000 1.290 265 F CB -0.596 38.431 39.000 0.045 0.000 1.017 265 F HN -0.531 7.697 8.300 -0.276 -0.094 0.483 266 E N 0.299 120.618 120.200 0.198 0.000 2.072 266 E HA -0.380 nan 4.350 nan 0.000 0.191 266 E C 2.094 178.759 176.600 0.109 0.000 0.985 266 E CA 3.013 59.502 56.400 0.150 0.000 0.801 266 E CB -0.119 29.667 29.700 0.142 0.000 0.750 266 E HN -0.012 8.794 8.360 0.212 -0.318 0.452 267 A N -0.927 121.933 122.820 0.066 0.000 1.933 267 A HA -0.227 nan 4.320 nan 0.000 0.218 267 A C 2.366 179.942 177.584 -0.013 0.000 1.175 267 A CA 2.918 54.966 52.037 0.019 0.000 0.628 267 A CB -0.465 18.522 19.000 -0.022 0.000 0.814 267 A HN -0.407 7.703 8.150 0.049 0.070 0.444 268 L N -2.547 118.676 121.223 -0.001 0.000 2.127 268 L HA -0.121 nan 4.340 nan 0.000 0.203 268 L C 2.488 179.394 176.870 0.059 0.000 1.080 268 L CA 2.411 57.260 54.840 0.015 0.000 0.768 268 L CB -0.194 41.871 42.059 0.010 0.000 0.924 268 L HN -0.232 7.995 8.230 -0.005 0.000 0.444 269 A N -3.894 118.981 122.820 0.091 0.000 2.206 269 A HA 0.011 nan 4.320 nan 0.000 0.211 269 A C -0.294 177.339 177.584 0.083 0.000 1.158 269 A CA 1.674 53.773 52.037 0.104 0.000 0.761 269 A CB 0.195 19.274 19.000 0.132 0.000 0.801 269 A HN -0.126 8.085 8.150 0.102 0.000 0.473 270 T N -7.033 107.565 114.554 0.072 0.000 2.841 270 T HA 0.244 nan 4.350 nan 0.000 0.296 270 T C -1.586 173.143 174.700 0.048 0.000 1.166 270 T CA -1.511 60.627 62.100 0.062 0.000 1.007 270 T CB 2.476 71.386 68.868 0.071 0.000 1.253 270 T HN -0.777 7.461 8.240 0.067 0.042 0.511 271 C N 0.903 120.227 119.300 0.041 0.000 2.741 271 C HA 0.546 nan 4.460 nan 0.000 0.267 271 C C 0.687 175.679 174.990 0.004 0.000 1.549 271 C CA -1.172 57.862 59.018 0.028 0.000 1.772 271 C CB -1.216 26.546 27.740 0.036 0.000 2.962 271 C HN 0.816 9.069 8.230 0.039 0.000 0.514 272 D N 3.524 123.932 120.400 0.014 0.000 2.133 272 D HA -0.296 nan 4.640 nan 0.000 0.195 272 D C 1.178 177.410 176.300 -0.113 0.000 0.997 272 D CA 4.035 58.043 54.000 0.013 0.000 0.840 272 D CB -0.443 40.431 40.800 0.123 0.000 0.947 272 D HN -0.327 7.991 8.370 0.042 0.078 0.452 273 A N -1.422 121.159 122.820 -0.397 0.000 1.940 273 A HA -0.188 nan 4.320 nan 0.000 0.219 273 A C 2.109 179.508 177.584 -0.308 0.000 1.176 273 A CA 2.833 54.458 52.037 -0.687 0.000 0.631 273 A CB -0.610 17.838 19.000 -0.921 0.000 0.814 273 A HN 0.338 8.300 8.150 -0.313 0.000 0.446 274 L N -2.585 118.500 121.223 -0.230 0.000 2.179 274 L HA -0.257 nan 4.340 nan 0.000 0.208 274 L C 2.219 179.125 176.870 0.059 0.000 1.096 274 L CA 2.440 57.153 54.840 -0.212 0.000 0.779 274 L CB -0.217 41.658 42.059 -0.306 0.000 0.922 274 L HN -0.586 7.525 8.230 -0.173 0.015 0.443 275 V N 0.581 120.520 119.914 0.042 0.000 2.343 275 V HA -0.510 nan 4.120 nan 0.000 0.247 275 V C 2.608 178.780 176.094 0.131 0.000 1.051 275 V CA 4.359 66.716 62.300 0.093 0.000 1.036 275 V CB -1.073 30.780 31.823 0.050 0.000 0.654 275 V HN -0.099 8.007 8.190 -0.010 0.078 0.451 276 Q N -1.768 118.087 119.800 0.093 0.000 2.046 276 Q HA -0.297 nan 4.340 nan 0.000 0.200 276 Q C 2.361 178.445 176.000 0.141 0.000 0.975 276 Q CA 2.748 58.617 55.803 0.109 0.000 0.836 276 Q CB -0.397 28.406 28.738 0.109 0.000 0.896 276 Q HN -0.055 8.243 8.270 0.046 0.000 0.428 277 A N -1.021 121.892 122.820 0.155 0.000 1.933 277 A HA -0.279 nan 4.320 nan 0.000 0.218 277 A C 2.092 179.853 177.584 0.294 0.000 1.175 277 A CA 2.829 55.003 52.037 0.229 0.000 0.628 277 A CB -0.619 18.532 19.000 0.252 0.000 0.814 277 A HN 0.098 8.192 8.150 0.088 0.109 0.444 278 H N -1.614 117.641 119.070 0.308 0.000 2.457 278 H HA -0.199 nan 4.556 nan 0.000 0.294 278 H C 2.029 177.389 175.328 0.053 0.000 1.064 278 H CA 3.203 59.346 56.048 0.158 0.000 1.330 278 H CB 0.104 29.984 29.762 0.198 0.000 1.395 278 H HN 0.186 8.643 8.280 0.489 0.115 0.541 279 G N -2.326 106.552 108.800 0.129 0.000 2.440 279 G HA2 -0.363 nan 3.960 nan 0.000 0.218 279 G HA3 -0.363 nan 3.960 nan 0.000 0.218 279 G C 0.464 175.346 174.900 -0.030 0.000 1.154 279 G CA 1.970 47.099 45.100 0.050 0.000 0.767 279 G HN -0.324 7.941 8.290 0.185 0.136 0.552 280 A N 1.590 124.402 122.820 -0.013 0.000 1.969 280 A HA -0.128 nan 4.320 nan 0.000 0.218 280 A C 2.093 179.612 177.584 -0.108 0.000 1.169 280 A CA 2.426 54.443 52.037 -0.033 0.000 0.635 280 A CB -0.787 18.244 19.000 0.052 0.000 0.810 280 A HN -0.615 7.467 8.150 0.040 0.093 0.445 281 L N -2.555 118.542 121.223 -0.210 0.000 2.072 281 L HA -0.396 nan 4.340 nan 0.000 0.205 281 L C 2.145 178.827 176.870 -0.314 0.000 1.079 281 L CA 2.685 57.322 54.840 -0.338 0.000 0.752 281 L CB -0.208 41.477 42.059 -0.623 0.000 0.906 281 L HN -0.573 7.413 8.230 -0.198 0.126 0.436 282 K N -1.013 119.207 120.400 -0.299 0.000 2.211 282 K HA -0.180 nan 4.320 nan 0.000 0.203 282 K C 2.524 179.053 176.600 -0.117 0.000 1.050 282 K CA 2.634 58.821 56.287 -0.167 0.000 0.945 282 K CB -1.409 31.049 32.500 -0.069 0.000 0.732 282 K HN 0.210 8.266 8.250 -0.324 0.000 0.451 283 G N -0.107 108.621 108.800 -0.119 0.000 2.404 283 G HA2 -0.226 nan 3.960 nan 0.000 0.215 283 G HA3 -0.226 nan 3.960 nan 0.000 0.215 283 G C 0.766 175.610 174.900 -0.093 0.000 1.174 283 G CA 1.746 46.781 45.100 -0.107 0.000 0.780 283 G HN -0.339 7.773 8.290 -0.130 0.100 0.537 284 L N 1.561 122.725 121.223 -0.099 0.000 2.083 284 L HA -0.234 nan 4.340 nan 0.000 0.209 284 L C 1.465 178.273 176.870 -0.102 0.000 1.083 284 L CA 2.236 57.025 54.840 -0.086 0.000 0.752 284 L CB -0.520 41.485 42.059 -0.090 0.000 0.899 284 L HN -0.266 7.823 8.230 -0.115 0.071 0.433 285 A N -1.305 121.444 122.820 -0.118 0.000 1.933 285 A HA -0.377 nan 4.320 nan 0.000 0.218 285 A C 1.821 179.346 177.584 -0.098 0.000 1.175 285 A CA 3.192 55.161 52.037 -0.113 0.000 0.628 285 A CB -1.140 17.796 19.000 -0.107 0.000 0.814 285 A HN 0.109 8.101 8.150 -0.135 0.077 0.444 286 A N -2.354 120.416 122.820 -0.083 0.000 1.930 286 A HA -0.303 nan 4.320 nan 0.000 0.217 286 A C 2.259 179.800 177.584 -0.071 0.000 1.175 286 A CA 2.931 54.927 52.037 -0.068 0.000 0.627 286 A CB -0.873 18.093 19.000 -0.056 0.000 0.815 286 A HN -0.158 7.941 8.150 -0.085 0.000 0.443 287 S N 0.004 115.661 115.700 -0.072 0.000 2.355 287 S HA -0.313 nan 4.470 nan 0.000 0.222 287 S C 2.227 176.758 174.600 -0.116 0.000 1.031 287 S CA 3.646 61.807 58.200 -0.065 0.000 0.993 287 S CB -0.051 63.128 63.200 -0.034 0.000 0.859 287 S HN -0.662 7.605 8.310 -0.071 0.000 0.453 288 L N 0.870 122.007 121.223 -0.144 0.000 2.083 288 L HA -0.365 nan 4.340 nan 0.000 0.209 288 L C 1.831 178.547 176.870 -0.257 0.000 1.083 288 L CA 2.818 57.521 54.840 -0.228 0.000 0.752 288 L CB -0.208 41.718 42.059 -0.223 0.000 0.899 288 L HN 0.147 8.304 8.230 -0.122 0.000 0.433 289 M N -0.797 118.697 119.600 -0.176 0.000 2.117 289 M HA -0.434 nan 4.480 nan 0.000 0.262 289 M C 1.553 177.774 176.300 -0.132 0.000 1.065 289 M CA 3.703 58.917 55.300 -0.144 0.000 1.114 289 M CB -0.353 32.194 32.600 -0.088 0.000 1.361 289 M HN 0.040 8.244 8.290 -0.144 0.000 0.408 290 K N -0.325 120.004 120.400 -0.117 0.000 2.057 290 K HA -0.264 nan 4.320 nan 0.000 0.206 290 K C 2.593 179.085 176.600 -0.181 0.000 1.050 290 K CA 3.062 59.297 56.287 -0.087 0.000 0.935 290 K CB -0.313 32.160 32.500 -0.044 0.000 0.715 290 K HN -0.777 7.406 8.250 -0.111 0.000 0.439 291 I N -0.913 119.453 120.570 -0.341 0.000 2.179 291 I HA -0.492 nan 4.170 nan 0.000 0.242 291 I C 1.563 177.339 176.117 -0.569 0.000 1.088 291 I CA 3.713 64.595 61.300 -0.697 0.000 1.357 291 I CB -0.264 37.315 38.000 -0.703 0.000 1.051 291 I HN -0.334 7.706 8.210 -0.283 0.000 0.409 292 A N -0.766 121.788 122.820 -0.443 0.000 1.902 292 A HA -0.402 nan 4.320 nan 0.000 0.217 292 A C 1.906 179.414 177.584 -0.128 0.000 1.181 292 A CA 3.566 55.401 52.037 -0.336 0.000 0.623 292 A CB -0.904 17.874 19.000 -0.369 0.000 0.818 292 A HN 0.478 8.368 8.150 -0.433 0.000 0.443 293 N N -1.578 117.082 118.700 -0.067 0.000 2.120 293 N HA -0.312 nan 4.740 nan 0.000 0.188 293 N C 2.246 177.904 175.510 0.247 0.000 1.024 293 N CA 2.936 56.057 53.050 0.117 0.000 0.852 293 N CB -0.521 38.073 38.487 0.178 0.000 1.003 293 N HN -0.152 8.159 8.380 -0.115 0.000 0.424 294 D N 1.224 121.703 120.400 0.131 0.000 2.104 294 D HA -0.218 nan 4.640 nan 0.000 0.194 294 D C 2.489 178.943 176.300 0.256 0.000 0.994 294 D CA 3.381 57.525 54.000 0.240 0.000 0.830 294 D CB -0.088 40.886 40.800 0.290 0.000 0.959 294 D HN -0.122 8.245 8.370 -0.006 0.000 0.452 295 V N -0.301 119.672 119.914 0.098 0.000 2.255 295 V HA -0.420 nan 4.120 nan 0.000 0.247 295 V C 2.029 178.205 176.094 0.137 0.000 1.051 295 V CA 4.248 66.642 62.300 0.156 0.000 1.018 295 V CB -0.594 31.309 31.823 0.133 0.000 0.641 295 V HN -0.094 8.049 8.190 -0.079 0.000 0.445 296 R N -1.662 118.876 120.500 0.065 0.000 2.115 296 R HA -0.314 nan 4.340 nan 0.000 0.230 296 R C 1.884 178.139 176.300 -0.075 0.000 1.111 296 R CA 2.985 59.059 56.100 -0.043 0.000 0.976 296 R CB -0.639 29.569 30.300 -0.153 0.000 0.870 296 R HN -0.306 7.994 8.270 0.050 0.000 0.445 297 W N -2.190 119.139 121.300 0.048 0.000 2.409 297 W HA -0.235 nan 4.660 nan 0.000 0.299 297 W C 2.586 179.140 176.519 0.059 0.000 1.203 297 W CA 2.394 59.767 57.345 0.047 0.000 1.298 297 W CB 0.374 29.862 29.460 0.046 0.000 1.127 297 W HN -0.355 7.977 8.180 0.253 0.000 0.528 298 L N -1.456 119.952 121.223 0.310 0.000 2.201 298 L HA -0.361 nan 4.340 nan 0.000 0.212 298 L C 1.537 178.493 176.870 0.144 0.000 1.105 298 L CA 2.665 57.636 54.840 0.218 0.000 0.775 298 L CB -0.410 41.788 42.059 0.232 0.000 0.913 298 L HN 0.292 8.719 8.230 0.328 0.000 0.440 299 A N -4.771 118.118 122.820 0.115 0.000 2.275 299 A HA 0.082 nan 4.320 nan 0.000 0.212 299 A C -0.688 176.915 177.584 0.031 0.000 1.201 299 A CA -0.912 51.162 52.037 0.061 0.000 0.843 299 A CB -0.376 18.653 19.000 0.047 0.000 0.873 299 A HN -0.440 7.660 8.150 0.126 0.125 0.492 300 S N -0.643 115.080 115.700 0.038 0.000 2.558 300 S HA -0.164 nan 4.470 nan 0.000 0.288 300 S C -0.224 174.392 174.600 0.027 0.000 1.318 300 S CA 0.598 58.799 58.200 0.002 0.000 1.056 300 S CB 0.826 64.037 63.200 0.018 0.000 0.853 300 S HN -0.619 7.557 8.310 0.085 0.185 0.505 301 G N 3.452 112.254 108.800 0.004 0.000 2.534 301 G HA2 -0.020 nan 3.960 nan 0.000 0.142 301 G HA3 -0.020 nan 3.960 nan 0.000 0.142 301 G C -2.431 172.470 174.900 0.001 0.000 1.178 301 G CA 0.182 45.290 45.100 0.013 0.000 1.037 301 G HN 0.063 8.341 8.290 -0.021 0.000 0.474 302 P HA 0.232 nan 4.420 nan 0.000 0.231 302 P C 0.072 177.380 177.300 0.013 0.000 1.168 302 P CA 1.043 64.148 63.100 0.008 0.000 0.779 302 P CB 0.399 32.102 31.700 0.003 0.000 0.844 303 R N -2.164 118.345 120.500 0.014 0.000 2.257 303 R HA 0.145 nan 4.340 nan 0.000 0.195 303 R C 0.318 176.632 176.300 0.024 0.000 0.921 303 R CA 0.286 56.396 56.100 0.017 0.000 1.069 303 R CB 0.454 30.762 30.300 0.013 0.000 1.115 303 R HN 0.076 8.307 8.270 0.011 0.045 0.571 304 C N -0.448 118.869 119.300 0.028 0.000 2.548 304 C HA 0.390 nan 4.460 nan 0.000 0.297 304 C C -0.196 174.829 174.990 0.058 0.000 1.422 304 C CA -0.699 58.342 59.018 0.038 0.000 1.785 304 C CB -1.827 25.932 27.740 0.032 0.000 2.593 304 C HN 0.072 8.317 8.230 0.024 0.000 0.545 305 G N 1.046 109.885 108.800 0.065 0.000 3.291 305 G HA2 0.467 nan 3.960 nan 0.000 0.173 305 G HA3 0.467 nan 3.960 nan 0.000 0.173 305 G C -1.175 173.789 174.900 0.106 0.000 1.099 305 G CA -0.558 44.605 45.100 0.105 0.000 0.794 305 G HN -0.757 7.503 8.290 0.052 0.062 0.651 306 I N 1.302 121.951 120.570 0.131 0.000 2.499 306 I HA 0.012 nan 4.170 nan 0.000 0.243 306 I C 0.622 176.785 176.117 0.076 0.000 1.085 306 I CA 1.074 62.441 61.300 0.112 0.000 1.422 306 I CB 1.106 39.199 38.000 0.155 0.000 1.165 306 I HN 0.322 8.626 8.210 0.157 0.000 0.440 307 G N -1.443 107.402 108.800 0.075 0.000 2.249 307 G HA2 -0.466 nan 3.960 nan 0.000 0.273 307 G HA3 -0.466 nan 3.960 nan 0.000 0.273 307 G C -0.210 174.709 174.900 0.033 0.000 1.036 307 G CA 1.001 46.129 45.100 0.047 0.000 0.824 307 G HN -0.217 8.129 8.290 0.094 0.000 0.504 308 E N -2.404 117.822 120.200 0.042 0.000 2.216 308 E HA -0.112 nan 4.350 nan 0.000 0.192 308 E C -0.114 176.480 176.600 -0.010 0.000 0.988 308 E CA 1.367 57.776 56.400 0.016 0.000 0.834 308 E CB 0.838 30.555 29.700 0.027 0.000 0.772 308 E HN -0.264 8.136 8.360 0.068 0.000 0.479 309 I N -6.782 113.798 120.570 0.016 0.000 3.145 309 I HA 0.706 nan 4.170 nan 0.000 0.313 309 I C -1.756 174.370 176.117 0.015 0.000 1.122 309 I CA -2.818 58.482 61.300 -0.001 0.000 0.987 309 I CB 4.060 42.086 38.000 0.043 0.000 1.236 309 I HN -0.532 7.680 8.210 0.046 0.025 0.453 310 S N -0.192 115.513 115.700 0.007 0.000 2.542 310 S HA 0.465 nan 4.470 nan 0.000 0.293 310 S C -1.502 173.112 174.600 0.024 0.000 1.089 310 S CA -1.713 56.495 58.200 0.013 0.000 0.961 310 S CB 2.494 65.695 63.200 0.001 0.000 1.062 310 S HN 0.661 8.968 8.310 -0.006 0.000 0.483 311 I N -4.931 115.650 120.570 0.020 0.000 2.785 311 I HA 0.632 nan 4.170 nan 0.000 0.302 311 I C -2.283 173.838 176.117 0.007 0.000 1.069 311 I CA -3.546 57.763 61.300 0.015 0.000 1.045 311 I CB 2.385 40.394 38.000 0.014 0.000 1.236 311 I HN 0.132 8.351 8.210 0.014 0.000 0.429 312 P HA 0.018 nan 4.420 nan 0.000 0.265 312 P C -1.960 175.342 177.300 0.003 0.000 1.193 312 P CA -0.236 62.868 63.100 0.007 0.000 0.765 312 P CB 0.780 32.487 31.700 0.013 0.000 0.823 313 E N 3.021 123.222 120.200 0.001 0.000 2.152 313 E HA -0.052 nan 4.350 nan 0.000 0.285 313 E C -0.944 175.651 176.600 -0.009 0.000 1.043 313 E CA -0.301 56.096 56.400 -0.006 0.000 0.839 313 E CB 0.573 30.269 29.700 -0.006 0.000 1.069 313 E HN 0.219 8.581 8.360 0.003 0.000 0.399 314 N N 5.071 123.759 118.700 -0.021 0.000 2.368 314 N HA 0.009 nan 4.740 nan 0.000 0.178 314 N C -0.739 174.743 175.510 -0.046 0.000 1.076 314 N CA 0.893 53.919 53.050 -0.040 0.000 0.889 314 N CB 0.740 39.181 38.487 -0.076 0.000 1.040 314 N HN 0.539 8.906 8.380 -0.022 0.000 0.463 315 E N 0.158 120.335 120.200 -0.037 0.000 2.207 315 E HA 0.454 nan 4.350 nan 0.000 0.270 315 E C -2.041 174.545 176.600 -0.023 0.000 0.927 315 E CA -3.001 53.379 56.400 -0.033 0.000 0.799 315 E CB 0.781 30.461 29.700 -0.033 0.000 1.172 315 E HN -0.328 8.014 8.360 -0.031 0.000 0.404 316 P HA 0.037 nan 4.420 nan 0.000 0.272 316 P C -1.175 176.116 177.300 -0.014 0.000 1.230 316 P CA 0.155 63.246 63.100 -0.014 0.000 0.788 316 P CB 0.652 32.344 31.700 -0.013 0.000 0.949 317 G N -0.668 108.125 108.800 -0.011 0.000 2.730 317 G HA2 0.183 nan 3.960 nan 0.000 0.289 317 G HA3 0.183 nan 3.960 nan 0.000 0.289 317 G C -1.395 173.500 174.900 -0.009 0.000 1.341 317 G CA -1.224 43.869 45.100 -0.011 0.000 0.932 317 G HN -0.131 8.153 8.290 -0.010 0.000 0.481 318 S N 0.382 116.077 115.700 -0.008 0.000 2.549 318 S HA 0.029 nan 4.470 nan 0.000 0.283 318 S C 1.564 176.161 174.600 -0.005 0.000 1.320 318 S CA -0.081 58.115 58.200 -0.006 0.000 1.058 318 S CB 0.565 63.761 63.200 -0.006 0.000 0.882 318 S HN 0.184 8.488 8.310 -0.009 0.000 0.498 319 S N 5.029 120.727 115.700 -0.004 0.000 2.368 319 S HA -0.178 nan 4.470 nan 0.000 0.225 319 S C 1.129 175.727 174.600 -0.003 0.000 1.030 319 S CA 2.127 60.325 58.200 -0.003 0.000 0.999 319 S CB 0.342 63.541 63.200 -0.003 0.000 0.844 319 S HN 0.422 8.729 8.310 -0.004 0.000 0.459 320 I N -0.056 120.512 120.570 -0.003 0.000 3.444 320 I HA -0.180 nan 4.170 nan 0.000 0.287 320 I C -1.191 174.924 176.117 -0.003 0.000 1.302 320 I CA 0.665 61.963 61.300 -0.003 0.000 1.368 320 I CB 0.455 38.454 38.000 -0.002 0.000 1.048 320 I HN -0.191 8.017 8.210 -0.003 0.000 0.487 321 M N 0.389 119.986 119.600 -0.004 0.000 3.062 321 M HA 0.370 nan 4.480 nan 0.000 0.270 321 M C -2.346 173.951 176.300 -0.005 0.000 1.270 321 M CA -2.810 52.487 55.300 -0.004 0.000 0.702 321 M CB 1.135 33.732 32.600 -0.006 0.000 1.398 321 M HN -0.511 7.573 8.290 -0.004 0.204 0.490 322 P HA 0.116 nan 4.420 nan 0.000 0.276 322 P C -0.365 176.933 177.300 -0.003 0.000 1.253 322 P CA 0.419 63.517 63.100 -0.004 0.000 0.766 322 P CB -0.267 31.432 31.700 -0.002 0.000 0.845 323 G N 3.691 112.488 108.800 -0.005 0.000 2.797 323 G HA2 -0.254 nan 3.960 nan 0.000 0.195 323 G HA3 -0.254 nan 3.960 nan 0.000 0.195 323 G C -1.207 173.688 174.900 -0.007 0.000 1.026 323 G CA -0.127 44.970 45.100 -0.004 0.000 0.759 323 G HN 0.265 8.552 8.290 -0.005 0.000 0.475 324 K N 4.015 124.409 120.400 -0.009 0.000 2.237 324 K HA 0.044 nan 4.320 nan 0.000 0.283 324 K C -0.697 175.893 176.600 -0.017 0.000 1.080 324 K CA 0.106 56.384 56.287 -0.014 0.000 0.965 324 K CB -0.184 32.306 32.500 -0.015 0.000 1.098 324 K HN -0.520 7.725 8.250 -0.008 0.000 0.434 325 V N 7.105 127.008 119.914 -0.018 0.000 2.293 325 V HA 0.071 nan 4.120 nan 0.000 0.275 325 V C -0.562 175.516 176.094 -0.027 0.000 1.021 325 V CA -0.944 61.345 62.300 -0.019 0.000 0.815 325 V CB 0.398 32.213 31.823 -0.012 0.000 1.025 325 V HN -0.180 7.999 8.190 -0.019 0.000 0.448 326 N N 8.422 127.104 118.700 -0.031 0.000 2.497 326 N HA 0.253 nan 4.740 nan 0.000 0.268 326 N C -0.946 174.544 175.510 -0.034 0.000 1.171 326 N CA -2.367 50.658 53.050 -0.041 0.000 0.948 326 N CB 0.550 39.013 38.487 -0.040 0.000 1.069 326 N HN 0.098 8.462 8.380 -0.027 0.000 0.460 327 P HA 0.180 nan 4.420 nan 0.000 0.226 327 P C -0.071 177.224 177.300 -0.009 0.000 1.783 327 P CA -0.394 62.693 63.100 -0.021 0.000 0.980 327 P CB -1.442 30.233 31.700 -0.041 0.000 1.967 328 T N -0.208 114.342 114.554 -0.007 0.000 2.759 328 T HA -0.422 nan 4.350 nan 0.000 0.269 328 T C 1.765 176.481 174.700 0.026 0.000 1.042 328 T CA 3.883 65.981 62.100 -0.003 0.000 1.140 328 T CB -0.489 68.370 68.868 -0.014 0.000 0.864 328 T HN 0.186 8.365 8.240 -0.011 0.054 0.455 329 Q N 1.014 120.853 119.800 0.064 0.000 2.124 329 Q HA -0.210 nan 4.340 nan 0.000 0.202 329 Q C 1.956 178.056 176.000 0.166 0.000 0.977 329 Q CA 2.990 58.877 55.803 0.139 0.000 0.850 329 Q CB -1.084 27.773 28.738 0.198 0.000 0.901 329 Q HN 0.329 8.628 8.270 0.048 0.000 0.429 330 C N 0.188 119.575 119.300 0.144 0.000 2.440 330 C HA -0.249 nan 4.460 nan 0.000 0.278 330 C C 2.159 177.138 174.990 -0.019 0.000 1.295 330 C CA 3.801 62.858 59.018 0.066 0.000 1.738 330 C CB -1.418 26.353 27.740 0.052 0.000 1.987 330 C HN -0.391 7.905 8.230 0.126 0.010 0.492 331 E N -0.148 120.044 120.200 -0.014 0.000 2.106 331 E HA -0.376 nan 4.350 nan 0.000 0.192 331 E C 2.266 178.851 176.600 -0.025 0.000 0.984 331 E CA 3.057 59.438 56.400 -0.032 0.000 0.806 331 E CB -0.315 29.366 29.700 -0.033 0.000 0.750 331 E HN -0.194 8.076 8.360 0.001 0.091 0.458 332 A N -0.353 122.463 122.820 -0.007 0.000 1.930 332 A HA -0.161 nan 4.320 nan 0.000 0.217 332 A C 2.026 179.595 177.584 -0.026 0.000 1.175 332 A CA 2.919 54.953 52.037 -0.005 0.000 0.627 332 A CB -0.468 18.542 19.000 0.017 0.000 0.815 332 A HN 0.115 8.271 8.150 0.010 0.000 0.443 333 L N -2.153 119.043 121.223 -0.045 0.000 2.056 333 L HA -0.306 nan 4.340 nan 0.000 0.207 333 L C 1.974 178.771 176.870 -0.122 0.000 1.078 333 L CA 3.129 57.901 54.840 -0.114 0.000 0.749 333 L CB -0.202 41.709 42.059 -0.246 0.000 0.901 333 L HN -0.102 8.116 8.230 -0.021 0.000 0.433 334 T N -2.271 112.219 114.554 -0.107 0.000 2.867 334 T HA -0.351 nan 4.350 nan 0.000 0.268 334 T C 2.338 177.003 174.700 -0.058 0.000 1.057 334 T CA 3.620 65.668 62.100 -0.087 0.000 1.136 334 T CB -0.463 68.365 68.868 -0.068 0.000 0.874 334 T HN 0.007 8.189 8.240 -0.096 0.000 0.466 335 M N 1.461 121.034 119.600 -0.045 0.000 2.132 335 M HA -0.319 nan 4.480 nan 0.000 0.263 335 M C 2.018 178.301 176.300 -0.029 0.000 1.065 335 M CA 3.975 59.258 55.300 -0.029 0.000 1.122 335 M CB -0.026 32.562 32.600 -0.020 0.000 1.365 335 M HN -0.517 7.736 8.290 -0.046 0.010 0.411 336 L N -3.654 117.546 121.223 -0.038 0.000 2.217 336 L HA -0.143 nan 4.340 nan 0.000 0.211 336 L C 1.433 178.273 176.870 -0.049 0.000 1.107 336 L CA 3.103 57.920 54.840 -0.038 0.000 0.783 336 L CB -1.550 40.484 42.059 -0.041 0.000 0.919 336 L HN -0.327 7.877 8.230 -0.043 0.000 0.442 337 C N -0.036 119.225 119.300 -0.063 0.000 2.440 337 C HA -0.316 nan 4.460 nan 0.000 0.278 337 C C 2.240 177.204 174.990 -0.044 0.000 1.295 337 C CA 4.232 63.208 59.018 -0.069 0.000 1.738 337 C CB -2.250 25.437 27.740 -0.089 0.000 1.987 337 C HN -0.328 7.754 8.230 -0.070 0.105 0.492 338 C N 0.363 119.644 119.300 -0.031 0.000 2.425 338 C HA -0.338 nan 4.460 nan 0.000 0.277 338 C C 1.844 176.832 174.990 -0.003 0.000 1.280 338 C CA 4.517 63.526 59.018 -0.015 0.000 1.744 338 C CB -1.844 25.891 27.740 -0.010 0.000 1.989 338 C HN -0.076 8.133 8.230 -0.036 0.000 0.491 339 Q N 0.132 119.929 119.800 -0.005 0.000 2.050 339 Q HA -0.281 nan 4.340 nan 0.000 0.202 339 Q C 2.117 178.129 176.000 0.020 0.000 0.980 339 Q CA 2.912 58.719 55.803 0.008 0.000 0.840 339 Q CB -0.613 28.126 28.738 0.001 0.000 0.898 339 Q HN -0.478 7.686 8.270 -0.014 0.097 0.424 340 V N 0.496 120.414 119.914 0.006 0.000 2.392 340 V HA -0.450 nan 4.120 nan 0.000 0.249 340 V C 2.338 178.483 176.094 0.086 0.000 1.059 340 V CA 4.496 66.817 62.300 0.035 0.000 1.051 340 V CB -1.034 30.755 31.823 -0.056 0.000 0.658 340 V HN -0.049 8.131 8.190 -0.018 0.000 0.455 341 M N -2.262 117.359 119.600 0.035 0.000 2.117 341 M HA -0.284 nan 4.480 nan 0.000 0.262 341 M C 2.668 179.000 176.300 0.053 0.000 1.065 341 M CA 2.129 57.452 55.300 0.039 0.000 1.114 341 M CB -1.630 30.977 32.600 0.011 0.000 1.361 341 M HN -0.416 7.870 8.290 0.008 0.008 0.408 342 G N -1.302 107.523 108.800 0.042 0.000 2.402 342 G HA2 -0.375 nan 3.960 nan 0.000 0.216 342 G HA3 -0.375 nan 3.960 nan 0.000 0.216 342 G C 1.117 176.044 174.900 0.044 0.000 1.162 342 G CA 1.956 47.079 45.100 0.039 0.000 0.777 342 G HN 0.030 8.340 8.290 0.034 0.000 0.539 343 N N 1.563 120.295 118.700 0.053 0.000 2.149 343 N HA -0.338 nan 4.740 nan 0.000 0.188 343 N C 1.909 177.377 175.510 -0.071 0.000 1.019 343 N CA 2.532 55.589 53.050 0.011 0.000 0.857 343 N CB -0.418 38.084 38.487 0.025 0.000 0.997 343 N HN 0.158 8.575 8.380 0.062 0.000 0.426 344 D N -0.040 120.389 120.400 0.048 0.000 2.117 344 D HA -0.205 nan 4.640 nan 0.000 0.197 344 D C 2.238 178.545 176.300 0.011 0.000 0.987 344 D CA 3.444 57.478 54.000 0.057 0.000 0.829 344 D CB 0.197 41.136 40.800 0.232 0.000 0.961 344 D HN -0.219 8.122 8.370 0.145 0.115 0.460 345 V N -0.019 119.909 119.914 0.023 0.000 2.343 345 V HA -0.369 nan 4.120 nan 0.000 0.247 345 V C 1.754 177.852 176.094 0.006 0.000 1.051 345 V CA 3.427 65.736 62.300 0.015 0.000 1.036 345 V CB -0.752 31.083 31.823 0.019 0.000 0.654 345 V HN -0.791 7.335 8.190 0.036 0.085 0.451 346 A N -0.641 122.188 122.820 0.015 0.000 1.902 346 A HA -0.343 nan 4.320 nan 0.000 0.217 346 A C 1.983 179.581 177.584 0.024 0.000 1.181 346 A CA 3.389 55.452 52.037 0.042 0.000 0.623 346 A CB -0.851 18.201 19.000 0.088 0.000 0.818 346 A HN -0.544 7.616 8.150 0.017 0.000 0.443 347 I N -1.998 118.558 120.570 -0.024 0.000 2.252 347 I HA -0.614 nan 4.170 nan 0.000 0.245 347 I C 1.894 177.996 176.117 -0.025 0.000 1.102 347 I CA 4.127 65.408 61.300 -0.033 0.000 1.385 347 I CB -0.337 37.585 38.000 -0.130 0.000 1.064 347 I HN -0.144 8.030 8.210 -0.060 0.000 0.414 348 N N 0.587 119.273 118.700 -0.024 0.000 2.084 348 N HA -0.297 nan 4.740 nan 0.000 0.190 348 N C 2.501 177.972 175.510 -0.065 0.000 1.030 348 N CA 3.129 56.164 53.050 -0.024 0.000 0.849 348 N CB -0.494 37.990 38.487 -0.006 0.000 1.012 348 N HN -0.049 8.318 8.380 -0.022 0.000 0.423 349 M N -0.916 118.640 119.600 -0.073 0.000 2.117 349 M HA -0.308 nan 4.480 nan 0.000 0.262 349 M C 2.124 178.253 176.300 -0.284 0.000 1.065 349 M CA 3.955 59.174 55.300 -0.134 0.000 1.114 349 M CB -0.049 32.500 32.600 -0.085 0.000 1.361 349 M HN 0.109 8.374 8.290 -0.043 0.000 0.408 350 G N -3.426 105.233 108.800 -0.235 0.000 2.402 350 G HA2 -0.214 nan 3.960 nan 0.000 0.216 350 G HA3 -0.214 nan 3.960 nan 0.000 0.216 350 G C 1.861 176.589 174.900 -0.288 0.000 1.162 350 G CA 1.421 46.291 45.100 -0.383 0.000 0.777 350 G HN -0.272 7.957 8.290 -0.102 0.000 0.539 351 G N 1.174 109.899 108.800 -0.125 0.000 2.422 351 G HA2 -0.253 nan 3.960 nan 0.000 0.218 351 G HA3 -0.253 nan 3.960 nan 0.000 0.218 351 G C 0.715 175.560 174.900 -0.092 0.000 1.140 351 G CA 1.131 46.191 45.100 -0.065 0.000 0.775 351 G HN 0.306 8.431 8.290 -0.094 0.109 0.545 352 A N -0.109 122.628 122.820 -0.137 0.000 2.208 352 A HA 0.095 nan 4.320 nan 0.000 0.209 352 A C 0.532 178.016 177.584 -0.167 0.000 1.161 352 A CA 1.194 53.159 52.037 -0.121 0.000 0.782 352 A CB -0.268 18.669 19.000 -0.104 0.000 0.816 352 A HN -0.113 7.830 8.150 -0.159 0.111 0.477 353 S N -0.886 114.638 115.700 -0.293 0.000 2.622 353 S HA 0.076 nan 4.470 nan 0.000 0.236 353 S C 0.028 174.572 174.600 -0.093 0.000 0.956 353 S CA -0.681 57.324 58.200 -0.325 0.000 0.971 353 S CB 0.198 62.896 63.200 -0.837 0.000 0.782 353 S HN -0.639 7.266 8.310 -0.365 0.186 0.468 354 G N 0.687 109.467 108.800 -0.032 0.000 2.527 354 G HA2 0.067 nan 3.960 nan 0.000 0.248 354 G HA3 0.067 nan 3.960 nan 0.000 0.248 354 G C -1.485 173.402 174.900 -0.023 0.000 1.231 354 G CA -0.443 44.687 45.100 0.051 0.000 0.838 354 G HN -0.501 7.696 8.290 -0.064 0.054 0.570 355 N N 2.391 121.080 118.700 -0.019 0.000 2.352 355 N HA 0.332 nan 4.740 nan 0.000 0.291 355 N C -0.425 175.028 175.510 -0.095 0.000 1.040 355 N CA -0.558 52.353 53.050 -0.233 0.000 0.864 355 N CB 2.702 41.061 38.487 -0.214 0.000 1.440 355 N HN -0.498 7.922 8.380 0.066 0.000 0.483 356 F N 1.467 121.452 119.950 0.058 0.000 2.756 356 F HA -0.518 nan 4.527 nan 0.000 0.240 356 F C 0.524 176.368 175.800 0.074 0.000 1.487 356 F CA 2.073 60.106 58.000 0.055 0.000 1.859 356 F CB -1.551 37.477 39.000 0.047 0.000 1.319 356 F HN 0.445 8.363 8.300 -0.637 0.000 0.230 357 E N -0.220 120.178 120.200 0.329 0.000 2.482 357 E HA -0.030 nan 4.350 nan 0.000 0.196 357 E C -1.116 175.587 176.600 0.171 0.000 1.047 357 E CA 1.005 57.540 56.400 0.226 0.000 0.869 357 E CB 0.331 30.148 29.700 0.195 0.000 0.836 357 E HN 0.095 8.687 8.360 0.387 0.000 0.520 358 L N -1.582 119.737 121.223 0.160 0.000 2.513 358 L HA 0.170 nan 4.340 nan 0.000 0.261 358 L C -2.604 174.338 176.870 0.119 0.000 0.945 358 L CA -0.093 54.819 54.840 0.119 0.000 0.848 358 L CB 3.927 46.044 42.059 0.097 0.000 1.334 358 L HN -0.616 7.683 8.230 0.189 0.044 0.407 359 N N 4.398 123.166 118.700 0.114 0.000 2.419 359 N HA 0.304 nan 4.740 nan 0.000 0.264 359 N C -1.234 174.370 175.510 0.157 0.000 1.031 359 N CA -0.334 52.810 53.050 0.155 0.000 0.951 359 N CB 1.807 40.376 38.487 0.138 0.000 1.101 359 N HN -0.147 8.291 8.380 0.098 0.000 0.488 360 V N -0.283 119.740 119.914 0.182 0.000 2.852 360 V HA 0.347 nan 4.120 nan 0.000 0.359 360 V C -1.040 174.971 176.094 -0.139 0.000 1.244 360 V CA -1.740 60.566 62.300 0.011 0.000 1.371 360 V CB -1.886 29.890 31.823 -0.079 0.000 1.491 360 V HN 0.252 8.609 8.190 0.279 0.000 0.603 361 F N -0.943 119.024 119.950 0.028 0.000 2.775 361 F HA 0.392 nan 4.527 nan 0.000 0.313 361 F C 0.827 176.660 175.800 0.055 0.000 1.121 361 F CA -1.088 56.938 58.000 0.044 0.000 1.206 361 F CB 1.514 40.546 39.000 0.053 0.000 1.052 361 F HN -0.093 8.639 8.300 0.337 -0.230 0.524 362 R N 1.142 121.747 120.500 0.174 0.000 2.094 362 R HA -0.277 nan 4.340 nan 0.000 0.239 362 R C -1.216 175.232 176.300 0.246 0.000 1.137 362 R CA 6.325 62.554 56.100 0.215 0.000 0.943 362 R CB -2.688 27.786 30.300 0.290 0.000 0.850 362 R HN -0.588 7.675 8.270 0.117 0.077 0.433 363 P HA -0.238 nan 4.420 nan 0.000 0.215 363 P C 1.310 178.613 177.300 0.006 0.000 1.153 363 P CA 3.279 66.411 63.100 0.054 0.000 0.853 363 P CB -0.440 31.122 31.700 -0.231 0.000 0.788 364 M N -2.003 117.609 119.600 0.020 0.000 2.132 364 M HA -0.229 nan 4.480 nan 0.000 0.263 364 M C 1.859 178.275 176.300 0.193 0.000 1.065 364 M CA 2.862 58.230 55.300 0.113 0.000 1.122 364 M CB -0.616 32.170 32.600 0.310 0.000 1.365 364 M HN -0.660 7.647 8.290 0.043 0.009 0.411 365 V N 0.869 120.890 119.914 0.179 0.000 2.261 365 V HA -0.427 nan 4.120 nan 0.000 0.246 365 V C 2.061 178.237 176.094 0.137 0.000 1.047 365 V CA 4.809 67.194 62.300 0.141 0.000 1.015 365 V CB -0.893 31.003 31.823 0.122 0.000 0.642 365 V HN -0.414 7.891 8.190 0.192 0.000 0.446 366 I N -0.792 119.857 120.570 0.131 0.000 2.394 366 I HA -0.441 nan 4.170 nan 0.000 0.251 366 I C 0.897 177.095 176.117 0.135 0.000 1.136 366 I CA 2.020 63.386 61.300 0.110 0.000 1.425 366 I CB -0.297 37.719 38.000 0.026 0.000 1.079 366 I HN 0.072 8.371 8.210 0.148 0.000 0.425 367 H N 0.840 119.930 119.070 0.034 0.000 2.321 367 H HA -0.407 nan 4.556 nan 0.000 0.300 367 H C 1.986 177.347 175.328 0.055 0.000 1.087 367 H CA 4.599 60.647 56.048 -0.000 0.000 1.319 367 H CB -0.226 29.470 29.762 -0.110 0.000 1.379 367 H HN 0.037 8.435 8.280 0.196 0.000 0.501 368 N N -0.446 118.195 118.700 -0.098 0.000 2.142 368 N HA -0.343 nan 4.740 nan 0.000 0.186 368 N C 1.978 177.450 175.510 -0.063 0.000 1.023 368 N CA 3.893 56.861 53.050 -0.138 0.000 0.852 368 N CB -0.059 38.408 38.487 -0.033 0.000 0.998 368 N HN -0.368 8.075 8.380 0.105 0.000 0.424 369 F N 1.686 121.583 119.950 -0.089 0.000 2.075 369 F HA -0.356 nan 4.527 nan 0.000 0.297 369 F C 1.261 177.074 175.800 0.022 0.000 1.113 369 F CA 4.115 62.125 58.000 0.016 0.000 1.218 369 F CB 0.356 39.371 39.000 0.024 0.000 0.984 369 F HN 0.002 8.414 8.300 0.186 0.000 0.472 370 L N -2.997 118.339 121.223 0.189 0.000 2.141 370 L HA -0.491 nan 4.340 nan 0.000 0.209 370 L C 1.927 178.770 176.870 -0.045 0.000 1.094 370 L CA 2.963 57.853 54.840 0.084 0.000 0.763 370 L CB -0.568 41.538 42.059 0.079 0.000 0.908 370 L HN 0.084 8.445 8.230 0.219 0.000 0.437 371 Q N -0.065 119.670 119.800 -0.107 0.000 2.079 371 Q HA -0.387 nan 4.340 nan 0.000 0.200 371 Q C 2.446 178.386 176.000 -0.101 0.000 0.974 371 Q CA 3.520 59.248 55.803 -0.125 0.000 0.840 371 Q CB -0.208 28.402 28.738 -0.213 0.000 0.898 371 Q HN -0.343 7.833 8.270 -0.134 0.013 0.430 372 S N 0.899 116.535 115.700 -0.107 0.000 2.368 372 S HA -0.360 nan 4.470 nan 0.000 0.225 372 S C 2.129 176.621 174.600 -0.180 0.000 1.030 372 S CA 3.810 61.942 58.200 -0.113 0.000 0.999 372 S CB -0.047 63.141 63.200 -0.020 0.000 0.844 372 S HN -0.202 8.047 8.310 -0.103 0.000 0.459 373 V N 2.081 121.856 119.914 -0.231 0.000 2.295 373 V HA -0.426 nan 4.120 nan 0.000 0.246 373 V C 1.754 177.788 176.094 -0.100 0.000 1.049 373 V CA 4.400 66.589 62.300 -0.186 0.000 1.024 373 V CB -1.062 30.675 31.823 -0.143 0.000 0.648 373 V HN -0.165 7.867 8.190 -0.265 0.000 0.447 374 R N -0.588 119.867 120.500 -0.075 0.000 2.083 374 R HA -0.352 nan 4.340 nan 0.000 0.237 374 R C 2.377 178.651 176.300 -0.044 0.000 1.137 374 R CA 3.681 59.754 56.100 -0.045 0.000 0.951 374 R CB -0.132 30.146 30.300 -0.037 0.000 0.851 374 R HN -0.272 7.949 8.270 -0.082 0.000 0.434 375 L N -1.189 120.001 121.223 -0.055 0.000 2.017 375 L HA -0.372 nan 4.340 nan 0.000 0.208 375 L C 2.481 179.319 176.870 -0.055 0.000 1.073 375 L CA 3.093 57.905 54.840 -0.048 0.000 0.745 375 L CB -0.188 41.840 42.059 -0.052 0.000 0.894 375 L HN 0.274 8.358 8.230 -0.068 0.105 0.432 376 L N -2.330 118.846 121.223 -0.079 0.000 2.056 376 L HA -0.388 nan 4.340 nan 0.000 0.207 376 L C 2.119 178.955 176.870 -0.056 0.000 1.078 376 L CA 2.983 57.773 54.840 -0.083 0.000 0.749 376 L CB -0.697 41.292 42.059 -0.116 0.000 0.901 376 L HN 0.036 8.209 8.230 -0.096 0.000 0.433 377 A N -0.337 122.454 122.820 -0.048 0.000 1.855 377 A HA -0.361 nan 4.320 nan 0.000 0.215 377 A C 2.007 179.586 177.584 -0.008 0.000 1.191 377 A CA 3.493 55.514 52.037 -0.027 0.000 0.613 377 A CB -0.876 18.109 19.000 -0.025 0.000 0.829 377 A HN 0.428 8.542 8.150 -0.060 0.000 0.442 378 D N -1.919 118.478 120.400 -0.005 0.000 2.144 378 D HA -0.165 nan 4.640 nan 0.000 0.200 378 D C 2.645 178.962 176.300 0.028 0.000 0.978 378 D CA 2.952 56.960 54.000 0.013 0.000 0.833 378 D CB -0.346 40.461 40.800 0.012 0.000 0.961 378 D HN -0.143 8.218 8.370 -0.015 0.000 0.470 379 G N -0.476 108.331 108.800 0.012 0.000 2.418 379 G HA2 -0.282 nan 3.960 nan 0.000 0.217 379 G HA3 -0.282 nan 3.960 nan 0.000 0.217 379 G C 1.236 176.169 174.900 0.056 0.000 1.158 379 G CA 2.086 47.198 45.100 0.020 0.000 0.771 379 G HN 0.103 8.286 8.290 -0.008 0.101 0.545 380 M N 1.101 120.721 119.600 0.033 0.000 2.175 380 M HA -0.357 nan 4.480 nan 0.000 0.264 380 M C 1.802 178.165 176.300 0.106 0.000 1.063 380 M CA 4.018 59.364 55.300 0.077 0.000 1.119 380 M CB -0.140 32.479 32.600 0.032 0.000 1.377 380 M HN -0.225 8.067 8.290 0.003 0.000 0.415 381 E N 0.136 120.370 120.200 0.057 0.000 2.031 381 E HA -0.347 nan 4.350 nan 0.000 0.193 381 E C 2.267 178.883 176.600 0.027 0.000 0.994 381 E CA 3.243 59.660 56.400 0.029 0.000 0.800 381 E CB -0.355 29.354 29.700 0.015 0.000 0.752 381 E HN -0.447 7.937 8.360 0.040 0.000 0.447 382 S N -0.613 115.137 115.700 0.083 0.000 2.356 382 S HA -0.286 nan 4.470 nan 0.000 0.223 382 S C 2.187 176.888 174.600 0.167 0.000 1.032 382 S CA 3.242 61.534 58.200 0.153 0.000 1.005 382 S CB -0.151 63.162 63.200 0.188 0.000 0.867 382 S HN -0.139 8.222 8.310 0.084 0.000 0.449 383 F N 1.884 121.847 119.950 0.022 0.000 2.134 383 F HA -0.339 nan 4.527 nan 0.000 0.299 383 F C 0.900 176.697 175.800 -0.005 0.000 1.097 383 F CA 2.842 60.849 58.000 0.011 0.000 1.264 383 F CB 0.117 39.106 39.000 -0.018 0.000 1.001 383 F HN 0.005 8.478 8.300 0.287 0.000 0.479 384 N N -0.589 118.105 118.700 -0.011 0.000 2.028 384 N HA -0.467 nan 4.740 nan 0.000 0.194 384 N C 1.776 177.173 175.510 -0.188 0.000 1.050 384 N CA 3.895 56.878 53.050 -0.110 0.000 0.848 384 N CB 0.081 38.558 38.487 -0.016 0.000 1.038 384 N HN 0.078 8.538 8.380 0.133 0.000 0.423 385 K N -0.413 119.856 120.400 -0.218 0.000 2.057 385 K HA -0.259 nan 4.320 nan 0.000 0.207 385 K C 2.138 178.509 176.600 -0.382 0.000 1.049 385 K CA 2.760 58.838 56.287 -0.348 0.000 0.931 385 K CB 0.020 32.209 32.500 -0.518 0.000 0.714 385 K HN -0.194 7.950 8.250 -0.178 0.000 0.440 386 H N -5.199 113.824 119.070 -0.077 0.000 2.529 386 H HA 0.150 nan 4.556 nan 0.000 0.277 386 H C -0.692 174.560 175.328 -0.127 0.000 1.004 386 H CA 0.353 56.356 56.048 -0.075 0.000 1.167 386 H CB 0.442 30.183 29.762 -0.035 0.000 1.445 386 H HN -0.124 8.016 8.280 -0.233 0.000 0.554 387 C N -1.940 117.258 119.300 -0.171 0.000 3.166 387 C HA 0.216 nan 4.460 nan 0.000 0.354 387 C C 0.163 174.945 174.990 -0.346 0.000 2.030 387 C CA 0.294 59.142 59.018 -0.284 0.000 1.866 387 C CB 1.484 28.946 27.740 -0.462 0.000 2.020 387 C HN -0.511 7.525 8.230 -0.241 0.049 0.618 388 A N 2.146 124.608 122.820 -0.596 0.000 1.892 388 A HA -0.320 nan 4.320 nan 0.000 0.218 388 A C 2.005 179.515 177.584 -0.122 0.000 1.188 388 A CA 3.455 55.277 52.037 -0.358 0.000 0.631 388 A CB -0.553 18.237 19.000 -0.350 0.000 0.822 388 A HN 0.383 7.985 8.150 -0.912 0.000 0.447 389 V N -6.715 113.127 119.914 -0.121 0.000 2.720 389 V HA -0.245 nan 4.120 nan 0.000 0.256 389 V C 1.518 177.600 176.094 -0.020 0.000 1.082 389 V CA 2.357 64.622 62.300 -0.058 0.000 1.101 389 V CB -1.092 30.691 31.823 -0.068 0.000 0.693 389 V HN -0.137 7.951 8.190 -0.171 0.000 0.479 390 G N -2.110 106.675 108.800 -0.025 0.000 3.434 390 G HA2 0.182 nan 3.960 nan 0.000 0.258 390 G HA3 0.182 nan 3.960 nan 0.000 0.258 390 G C -0.675 174.255 174.900 0.050 0.000 1.128 390 G CA -1.278 43.831 45.100 0.014 0.000 0.792 390 G HN -0.396 7.698 8.290 -0.068 0.155 0.539 391 I N 2.145 122.767 120.570 0.086 0.000 2.533 391 I HA -0.208 nan 4.170 nan 0.000 0.284 391 I C -1.105 175.136 176.117 0.208 0.000 1.109 391 I CA 1.662 63.049 61.300 0.146 0.000 1.412 391 I CB 0.068 38.204 38.000 0.226 0.000 1.396 391 I HN -0.765 7.427 8.210 0.069 0.059 0.543 392 E N 7.159 127.409 120.200 0.084 0.000 2.314 392 E HA 0.611 nan 4.350 nan 0.000 0.272 392 E C -2.611 173.880 176.600 -0.181 0.000 0.884 392 E CA -3.466 52.925 56.400 -0.016 0.000 0.753 392 E CB 2.798 32.509 29.700 0.019 0.000 1.213 392 E HN 0.280 8.672 8.360 0.052 0.000 0.432 393 P HA 0.265 nan 4.420 nan 0.000 0.282 393 P C -0.887 176.307 177.300 -0.176 0.000 1.249 393 P CA -0.852 62.041 63.100 -0.344 0.000 0.806 393 P CB 0.727 32.096 31.700 -0.551 0.000 0.984 394 N N 3.888 122.521 118.700 -0.112 0.000 3.105 394 N HA 0.243 nan 4.740 nan 0.000 0.256 394 N C 0.412 175.885 175.510 -0.062 0.000 1.174 394 N CA -1.554 51.458 53.050 -0.064 0.000 1.030 394 N CB -0.862 37.605 38.487 -0.034 0.000 1.305 394 N HN 0.402 8.614 8.380 -0.107 0.103 0.509 395 R N 2.095 122.551 120.500 -0.074 0.000 2.134 395 R HA -0.520 nan 4.340 nan 0.000 0.248 395 R C 1.313 177.593 176.300 -0.033 0.000 1.143 395 R CA 4.715 60.780 56.100 -0.059 0.000 0.957 395 R CB -0.436 29.834 30.300 -0.051 0.000 0.867 395 R HN -0.636 7.536 8.270 -0.086 0.046 0.441 396 E N -1.757 118.428 120.200 -0.024 0.000 2.058 396 E HA -0.333 nan 4.350 nan 0.000 0.194 396 E C 2.461 179.055 176.600 -0.009 0.000 0.997 396 E CA 3.001 59.393 56.400 -0.013 0.000 0.801 396 E CB -0.786 28.909 29.700 -0.009 0.000 0.746 396 E HN 0.099 8.436 8.360 -0.026 0.007 0.450 397 R N -0.673 119.821 120.500 -0.011 0.000 2.083 397 R HA -0.223 nan 4.340 nan 0.000 0.237 397 R C 2.634 178.932 176.300 -0.004 0.000 1.137 397 R CA 2.200 58.298 56.100 -0.004 0.000 0.951 397 R CB -0.797 29.502 30.300 -0.002 0.000 0.851 397 R HN -0.599 7.662 8.270 -0.016 0.000 0.434 398 I N -0.710 119.851 120.570 -0.015 0.000 2.163 398 I HA -0.591 nan 4.170 nan 0.000 0.243 398 I C 1.848 177.960 176.117 -0.008 0.000 1.085 398 I CA 4.270 65.561 61.300 -0.016 0.000 1.347 398 I CB -0.520 37.459 38.000 -0.036 0.000 1.044 398 I HN 0.142 8.338 8.210 -0.024 0.000 0.408 399 N N -1.039 117.657 118.700 -0.007 0.000 2.216 399 N HA -0.338 nan 4.740 nan 0.000 0.183 399 N C 1.937 177.452 175.510 0.009 0.000 1.017 399 N CA 3.670 56.721 53.050 0.001 0.000 0.861 399 N CB -0.149 38.339 38.487 0.001 0.000 0.986 399 N HN -0.230 8.143 8.380 -0.013 0.000 0.428 400 Q N 1.224 121.028 119.800 0.007 0.000 2.061 400 Q HA -0.347 nan 4.340 nan 0.000 0.204 400 Q C 2.272 178.280 176.000 0.014 0.000 0.984 400 Q CA 3.417 59.227 55.803 0.011 0.000 0.846 400 Q CB 0.038 28.781 28.738 0.009 0.000 0.902 400 Q HN -0.007 8.265 8.270 0.003 0.000 0.421 401 L N -1.166 120.064 121.223 0.012 0.000 2.017 401 L HA -0.388 nan 4.340 nan 0.000 0.208 401 L C 2.398 179.277 176.870 0.014 0.000 1.073 401 L CA 2.750 57.597 54.840 0.013 0.000 0.745 401 L CB -0.200 41.867 42.059 0.012 0.000 0.894 401 L HN -0.024 8.211 8.230 0.009 0.000 0.432 402 L N -1.791 119.439 121.223 0.012 0.000 2.012 402 L HA -0.427 nan 4.340 nan 0.000 0.210 402 L C 2.515 179.401 176.870 0.028 0.000 1.073 402 L CA 3.101 57.950 54.840 0.015 0.000 0.748 402 L CB -0.272 41.793 42.059 0.011 0.000 0.891 402 L HN -0.068 8.168 8.230 0.009 0.000 0.431 403 N N -4.332 114.389 118.700 0.034 0.000 2.467 403 N HA -0.078 nan 4.740 nan 0.000 0.184 403 N C 0.411 175.952 175.510 0.051 0.000 1.106 403 N CA 1.788 54.871 53.050 0.055 0.000 0.892 403 N CB -0.234 38.287 38.487 0.056 0.000 0.969 403 N HN -0.084 8.313 8.380 0.027 0.000 0.454 404 E N -2.183 118.036 120.200 0.033 0.000 2.400 404 E HA -0.001 nan 4.350 nan 0.000 0.195 404 E C -0.246 176.367 176.600 0.021 0.000 1.012 404 E CA 0.205 56.620 56.400 0.026 0.000 0.875 404 E CB 1.157 30.868 29.700 0.018 0.000 0.859 404 E HN -0.552 7.627 8.360 0.027 0.197 0.498 405 S N -0.145 115.567 115.700 0.020 0.000 2.617 405 S HA 0.014 nan 4.470 nan 0.000 0.269 405 S C 0.546 175.156 174.600 0.017 0.000 1.292 405 S CA -0.609 57.595 58.200 0.007 0.000 1.010 405 S CB 1.431 64.632 63.200 0.001 0.000 0.944 405 S HN -0.551 7.774 8.310 0.024 0.000 0.536 406 L N 0.497 121.717 121.223 -0.006 0.000 2.592 406 L HA 0.161 nan 4.340 nan 0.000 0.227 406 L C 1.676 178.546 176.870 0.001 0.000 1.127 406 L CA 1.078 55.920 54.840 0.003 0.000 0.884 406 L CB -0.584 41.457 42.059 -0.030 0.000 1.065 406 L HN 0.296 8.508 8.230 -0.030 0.000 0.457 407 M N -0.417 119.180 119.600 -0.007 0.000 2.346 407 M HA -0.263 nan 4.480 nan 0.000 0.263 407 M C 2.326 178.625 176.300 -0.001 0.000 1.064 407 M CA 2.413 57.707 55.300 -0.010 0.000 1.083 407 M CB -1.530 31.063 32.600 -0.012 0.000 1.399 407 M HN -0.193 8.031 8.290 -0.008 0.061 0.435 408 L N -2.691 118.542 121.223 0.017 0.000 2.478 408 L HA -0.124 nan 4.340 nan 0.000 0.223 408 L C 1.905 178.790 176.870 0.025 0.000 1.140 408 L CA 1.192 56.042 54.840 0.018 0.000 0.842 408 L CB -1.052 41.024 42.059 0.028 0.000 0.953 408 L HN -0.421 7.783 8.230 0.028 0.042 0.452 409 V N 0.144 120.081 119.914 0.038 0.000 2.660 409 V HA -0.472 nan 4.120 nan 0.000 0.257 409 V C 1.050 177.143 176.094 -0.002 0.000 1.088 409 V CA 3.526 65.853 62.300 0.045 0.000 1.106 409 V CB -0.553 31.284 31.823 0.023 0.000 0.686 409 V HN -0.213 7.944 8.190 0.033 0.053 0.481 410 T N -2.284 112.254 114.554 -0.026 0.000 2.720 410 T HA -0.334 nan 4.350 nan 0.000 0.268 410 T C 1.880 176.562 174.700 -0.031 0.000 1.037 410 T CA 3.650 65.722 62.100 -0.046 0.000 1.144 410 T CB -0.864 67.984 68.868 -0.034 0.000 0.864 410 T HN -0.575 7.607 8.240 -0.019 0.047 0.444 411 A N 1.620 124.437 122.820 -0.006 0.000 1.978 411 A HA -0.206 nan 4.320 nan 0.000 0.220 411 A C 1.656 179.286 177.584 0.076 0.000 1.170 411 A CA 2.701 54.751 52.037 0.021 0.000 0.636 411 A CB -0.934 18.081 19.000 0.025 0.000 0.810 411 A HN -0.189 7.958 8.150 -0.005 0.000 0.448 412 L N -3.778 117.489 121.223 0.073 0.000 2.217 412 L HA -0.386 nan 4.340 nan 0.000 0.211 412 L C 2.332 179.200 176.870 -0.003 0.000 1.107 412 L CA 2.403 57.311 54.840 0.113 0.000 0.783 412 L CB -0.656 41.511 42.059 0.181 0.000 0.919 412 L HN -0.464 7.663 8.230 0.049 0.132 0.442 413 N N 0.058 118.728 118.700 -0.050 0.000 2.149 413 N HA -0.264 nan 4.740 nan 0.000 0.188 413 N C 2.056 177.467 175.510 -0.164 0.000 1.019 413 N CA 3.477 56.477 53.050 -0.083 0.000 0.857 413 N CB -0.102 38.339 38.487 -0.076 0.000 0.997 413 N HN -0.265 7.947 8.380 -0.039 0.145 0.426 414 T N -0.870 113.513 114.554 -0.285 0.000 3.098 414 T HA -0.026 nan 4.350 nan 0.000 0.266 414 T C 0.557 174.757 174.700 -0.833 0.000 1.145 414 T CA 2.122 63.912 62.100 -0.517 0.000 1.092 414 T CB -0.641 67.853 68.868 -0.624 0.000 0.908 414 T HN -0.171 7.928 8.240 -0.225 0.006 0.526 415 H N -2.711 116.094 119.070 -0.441 0.000 3.233 415 H HA 0.237 nan 4.556 nan 0.000 0.263 415 H C -1.397 173.647 175.328 -0.473 0.000 1.168 415 H CA -0.444 55.172 56.048 -0.720 0.000 1.159 415 H CB 1.967 30.701 29.762 -1.713 0.000 1.593 415 H HN 0.150 7.990 8.280 -0.369 0.219 0.580 416 I N -1.410 119.058 120.570 -0.171 0.000 2.800 416 I HA 0.029 nan 4.170 nan 0.000 0.294 416 I C -1.569 174.536 176.117 -0.020 0.000 1.538 416 I CA -0.990 60.274 61.300 -0.060 0.000 1.010 416 I CB 2.411 40.428 38.000 0.028 0.000 1.381 416 I HN -0.664 7.311 8.210 -0.176 0.130 0.462 417 G N 7.092 115.896 108.800 0.007 0.000 2.321 417 G HA2 -0.124 nan 3.960 nan 0.000 0.237 417 G HA3 -0.124 nan 3.960 nan 0.000 0.237 417 G C -0.126 174.843 174.900 0.115 0.000 1.282 417 G CA 0.157 45.291 45.100 0.056 0.000 0.886 417 G HN 0.132 8.416 8.290 -0.009 0.000 0.528 418 Y N 4.470 124.772 120.300 0.004 0.000 2.038 418 Y HA -0.628 nan 4.550 nan 0.000 0.266 418 Y C 0.898 176.824 175.900 0.044 0.000 1.220 418 Y CA 3.852 61.962 58.100 0.017 0.000 1.107 418 Y CB 0.029 38.492 38.460 0.006 0.000 0.932 418 Y HN 0.466 8.881 8.280 0.226 0.000 0.500 419 D N -5.193 115.393 120.400 0.310 0.000 2.144 419 D HA -0.325 nan 4.640 nan 0.000 0.199 419 D C 2.579 178.977 176.300 0.162 0.000 0.984 419 D CA 3.357 57.490 54.000 0.221 0.000 0.834 419 D CB -1.012 39.898 40.800 0.183 0.000 0.955 419 D HN 0.444 9.007 8.370 0.322 0.000 0.465 420 K N -0.285 120.222 120.400 0.179 0.000 2.057 420 K HA -0.187 nan 4.320 nan 0.000 0.206 420 K C 2.203 178.960 176.600 0.262 0.000 1.050 420 K CA 1.936 58.399 56.287 0.293 0.000 0.935 420 K CB -0.643 31.994 32.500 0.228 0.000 0.715 420 K HN -0.255 7.992 8.250 0.156 0.097 0.439 421 A N -1.407 121.501 122.820 0.147 0.000 1.902 421 A HA -0.184 nan 4.320 nan 0.000 0.217 421 A C 2.161 179.764 177.584 0.031 0.000 1.181 421 A CA 2.924 55.019 52.037 0.096 0.000 0.623 421 A CB -0.832 18.174 19.000 0.010 0.000 0.818 421 A HN -0.112 8.104 8.150 0.110 0.000 0.443 422 A N -2.421 120.380 122.820 -0.032 0.000 1.972 422 A HA -0.311 nan 4.320 nan 0.000 0.219 422 A C 1.883 179.478 177.584 0.019 0.000 1.169 422 A CA 2.818 54.829 52.037 -0.043 0.000 0.635 422 A CB -0.880 18.088 19.000 -0.053 0.000 0.810 422 A HN 0.313 8.435 8.150 -0.047 0.000 0.446 423 E N -0.489 119.741 120.200 0.050 0.000 2.051 423 E HA -0.298 nan 4.350 nan 0.000 0.192 423 E C 2.212 178.790 176.600 -0.037 0.000 0.991 423 E CA 3.139 59.551 56.400 0.021 0.000 0.799 423 E CB -0.015 29.714 29.700 0.048 0.000 0.748 423 E HN -0.276 7.906 8.360 0.085 0.229 0.449 424 I N -4.811 115.734 120.570 -0.040 0.000 2.394 424 I HA -0.306 nan 4.170 nan 0.000 0.251 424 I C 1.518 177.629 176.117 -0.009 0.000 1.136 424 I CA 3.256 64.519 61.300 -0.062 0.000 1.425 424 I CB -0.555 37.431 38.000 -0.024 0.000 1.079 424 I HN -0.538 7.681 8.210 0.014 0.000 0.425 425 A N 1.182 124.014 122.820 0.019 0.000 1.930 425 A HA -0.332 nan 4.320 nan 0.000 0.217 425 A C 1.903 179.524 177.584 0.062 0.000 1.175 425 A CA 3.302 55.361 52.037 0.035 0.000 0.627 425 A CB -0.877 18.134 19.000 0.018 0.000 0.815 425 A HN -0.234 7.826 8.150 0.021 0.103 0.443 426 K N -1.434 118.995 120.400 0.047 0.000 2.026 426 K HA -0.376 nan 4.320 nan 0.000 0.208 426 K C 2.103 178.719 176.600 0.026 0.000 1.048 426 K CA 3.603 59.925 56.287 0.057 0.000 0.929 426 K CB -0.212 32.304 32.500 0.027 0.000 0.713 426 K HN -0.052 8.126 8.250 0.026 0.088 0.439 427 K N -0.437 119.957 120.400 -0.010 0.000 2.026 427 K HA -0.317 nan 4.320 nan 0.000 0.208 427 K C 2.081 178.674 176.600 -0.012 0.000 1.048 427 K CA 3.111 59.379 56.287 -0.033 0.000 0.929 427 K CB -0.044 32.415 32.500 -0.068 0.000 0.713 427 K HN -0.486 7.752 8.250 -0.021 0.000 0.439 428 A N -1.401 121.425 122.820 0.009 0.000 1.865 428 A HA -0.315 nan 4.320 nan 0.000 0.217 428 A C 2.227 179.860 177.584 0.082 0.000 1.191 428 A CA 3.223 55.276 52.037 0.026 0.000 0.623 428 A CB -1.098 17.918 19.000 0.028 0.000 0.826 428 A HN 0.143 8.296 8.150 0.004 0.000 0.444 429 H N 0.116 119.177 119.070 -0.016 0.000 2.321 429 H HA -0.207 nan 4.556 nan 0.000 0.300 429 H C 2.121 177.442 175.328 -0.011 0.000 1.087 429 H CA 2.557 58.599 56.048 -0.010 0.000 1.319 429 H CB 0.009 29.767 29.762 -0.007 0.000 1.379 429 H HN -0.323 8.059 8.280 0.170 0.000 0.501 430 K N -1.805 118.518 120.400 -0.128 0.000 2.103 430 K HA -0.137 nan 4.320 nan 0.000 0.204 430 K C 1.799 178.343 176.600 -0.093 0.000 1.052 430 K CA 2.321 58.489 56.287 -0.198 0.000 0.945 430 K CB 0.597 33.008 32.500 -0.149 0.000 0.722 430 K HN -0.041 8.081 8.250 -0.037 0.106 0.443 431 E N -3.766 116.406 120.200 -0.046 0.000 2.385 431 E HA -0.006 nan 4.350 nan 0.000 0.194 431 E C 0.461 177.054 176.600 -0.012 0.000 1.013 431 E CA 0.194 56.575 56.400 -0.031 0.000 0.866 431 E CB 0.760 30.441 29.700 -0.032 0.000 0.832 431 E HN -0.046 8.183 8.360 -0.035 0.110 0.500 432 G N -2.418 106.390 108.800 0.012 0.000 2.137 432 G HA2 -0.405 nan 3.960 nan 0.000 0.237 432 G HA3 -0.405 nan 3.960 nan 0.000 0.237 432 G C -0.650 174.260 174.900 0.016 0.000 1.002 432 G CA 0.478 45.595 45.100 0.028 0.000 0.702 432 G HN -0.152 8.112 8.290 0.023 0.039 0.515 433 L N -0.752 120.476 121.223 0.007 0.000 2.431 433 L HA 0.296 nan 4.340 nan 0.000 0.260 433 L C 0.810 177.677 176.870 -0.004 0.000 1.098 433 L CA -0.358 54.476 54.840 -0.010 0.000 0.800 433 L CB 1.082 43.123 42.059 -0.030 0.000 1.210 433 L HN -0.237 7.885 8.230 0.011 0.115 0.465 434 T N -3.855 110.686 114.554 -0.021 0.000 2.874 434 T HA 0.183 nan 4.350 nan 0.000 0.281 434 T C 1.092 175.771 174.700 -0.035 0.000 0.994 434 T CA -1.389 60.703 62.100 -0.013 0.000 1.015 434 T CB 1.290 70.149 68.868 -0.015 0.000 1.028 434 T HN -0.289 7.931 8.240 -0.034 0.000 0.523 435 L N 1.249 122.477 121.223 0.010 0.000 2.013 435 L HA -0.453 nan 4.340 nan 0.000 0.212 435 L C 1.697 178.433 176.870 -0.222 0.000 1.073 435 L CA 4.165 59.020 54.840 0.024 0.000 0.753 435 L CB -0.482 41.718 42.059 0.235 0.000 0.890 435 L HN 0.710 8.970 8.230 0.049 0.000 0.432 436 K N -1.646 118.484 120.400 -0.450 0.000 2.025 436 K HA -0.383 nan 4.320 nan 0.000 0.207 436 K C 1.670 177.994 176.600 -0.460 0.000 1.049 436 K CA 3.349 59.077 56.287 -0.933 0.000 0.933 436 K CB -0.341 31.699 32.500 -0.768 0.000 0.714 436 K HN -0.339 7.781 8.250 -0.203 0.008 0.438 437 A N -1.208 121.460 122.820 -0.253 0.000 1.892 437 A HA -0.310 nan 4.320 nan 0.000 0.218 437 A C 2.022 179.517 177.584 -0.149 0.000 1.188 437 A CA 3.041 54.981 52.037 -0.162 0.000 0.631 437 A CB -0.981 17.960 19.000 -0.100 0.000 0.822 437 A HN -0.565 7.462 8.150 -0.206 0.000 0.447 438 A N -2.511 120.227 122.820 -0.136 0.000 1.902 438 A HA -0.320 nan 4.320 nan 0.000 0.217 438 A C 1.930 179.431 177.584 -0.139 0.000 1.181 438 A CA 2.861 54.830 52.037 -0.114 0.000 0.623 438 A CB -0.692 18.261 19.000 -0.079 0.000 0.818 438 A HN 0.189 8.260 8.150 -0.131 0.000 0.443 439 A N -1.105 121.615 122.820 -0.167 0.000 1.877 439 A HA -0.303 nan 4.320 nan 0.000 0.216 439 A C 2.041 179.567 177.584 -0.096 0.000 1.186 439 A CA 3.045 55.011 52.037 -0.119 0.000 0.620 439 A CB -0.745 18.164 19.000 -0.153 0.000 0.822 439 A HN -0.084 7.762 8.150 -0.215 0.174 0.443 440 L N -2.620 118.510 121.223 -0.154 0.000 2.027 440 L HA -0.357 nan 4.340 nan 0.000 0.206 440 L C 3.148 179.978 176.870 -0.068 0.000 1.074 440 L CA 2.722 57.501 54.840 -0.101 0.000 0.745 440 L CB -0.486 41.495 42.059 -0.130 0.000 0.898 440 L HN 0.406 8.498 8.230 -0.231 0.000 0.433 441 A N -0.267 122.501 122.820 -0.086 0.000 1.972 441 A HA -0.221 nan 4.320 nan 0.000 0.219 441 A C 1.379 178.921 177.584 -0.070 0.000 1.169 441 A CA 2.826 54.822 52.037 -0.069 0.000 0.635 441 A CB -0.357 18.599 19.000 -0.074 0.000 0.810 441 A HN 0.190 8.275 8.150 -0.108 0.000 0.446 442 L N -3.357 117.800 121.223 -0.109 0.000 2.552 442 L HA -0.003 nan 4.340 nan 0.000 0.227 442 L C 0.472 177.318 176.870 -0.039 0.000 1.146 442 L CA -0.238 54.498 54.840 -0.173 0.000 0.858 442 L CB 0.221 42.035 42.059 -0.407 0.000 0.969 442 L HN -0.111 8.034 8.230 -0.122 0.012 0.451 443 G N -2.283 106.539 108.800 0.037 0.000 2.179 443 G HA2 -0.400 nan 3.960 nan 0.000 0.257 443 G HA3 -0.400 nan 3.960 nan 0.000 0.257 443 G C 0.636 175.710 174.900 0.289 0.000 1.010 443 G CA 0.953 46.128 45.100 0.125 0.000 0.736 443 G HN -0.257 7.813 8.290 -0.009 0.215 0.513 444 Y N -1.614 118.708 120.300 0.038 0.000 2.516 444 Y HA -0.055 nan 4.550 nan 0.000 0.291 444 Y C 0.046 176.012 175.900 0.110 0.000 1.131 444 Y CA 0.495 58.643 58.100 0.080 0.000 1.281 444 Y CB 0.593 39.113 38.460 0.099 0.000 1.013 444 Y HN -0.339 8.063 8.280 0.268 0.038 0.554 445 L N -7.746 113.605 121.223 0.213 0.000 3.041 445 L HA 0.368 nan 4.340 nan 0.000 0.278 445 L C -2.459 174.422 176.870 0.018 0.000 1.051 445 L CA -1.229 53.675 54.840 0.107 0.000 0.957 445 L CB 2.261 44.413 42.059 0.155 0.000 1.538 445 L HN -0.802 7.497 8.230 0.181 0.040 0.393 446 S N -3.310 112.356 115.700 -0.056 0.000 2.681 446 S HA 0.334 nan 4.470 nan 0.000 0.299 446 S C 0.548 175.108 174.600 -0.066 0.000 1.113 446 S CA -1.565 56.596 58.200 -0.066 0.000 1.013 446 S CB 2.622 65.775 63.200 -0.078 0.000 1.076 446 S HN -0.189 8.212 8.310 -0.122 -0.164 0.534 447 E N 1.866 122.033 120.200 -0.054 0.000 2.070 447 E HA -0.350 nan 4.350 nan 0.000 0.197 447 E C 1.611 178.203 176.600 -0.012 0.000 1.004 447 E CA 3.661 60.050 56.400 -0.020 0.000 0.805 447 E CB -0.464 29.218 29.700 -0.030 0.000 0.744 447 E HN 0.750 9.075 8.360 -0.058 0.000 0.451 448 A N -2.043 120.733 122.820 -0.073 0.000 1.865 448 A HA -0.251 nan 4.320 nan 0.000 0.217 448 A C 2.170 179.620 177.584 -0.223 0.000 1.191 448 A CA 2.983 54.952 52.037 -0.114 0.000 0.623 448 A CB -1.108 17.826 19.000 -0.110 0.000 0.826 448 A HN 0.174 8.280 8.150 -0.073 0.000 0.444 449 E N -2.066 117.916 120.200 -0.363 0.000 2.150 449 E HA -0.331 nan 4.350 nan 0.000 0.193 449 E C 2.278 178.329 176.600 -0.914 0.000 0.985 449 E CA 1.900 57.816 56.400 -0.806 0.000 0.814 449 E CB -0.318 28.756 29.700 -1.042 0.000 0.752 449 E HN -0.719 7.466 8.360 -0.291 0.000 0.466 450 F N 2.311 121.945 119.950 -0.526 0.000 2.051 450 F HA -0.403 nan 4.527 nan 0.000 0.296 450 F C 0.932 176.653 175.800 -0.132 0.000 1.122 450 F CA 3.730 61.592 58.000 -0.231 0.000 1.201 450 F CB 0.343 39.285 39.000 -0.098 0.000 0.978 450 F HN -0.035 8.164 8.300 -0.142 0.016 0.472 451 D N -2.281 118.096 120.400 -0.039 0.000 2.221 451 D HA -0.369 nan 4.640 nan 0.000 0.204 451 D C 2.628 178.837 176.300 -0.150 0.000 0.982 451 D CA 3.400 57.349 54.000 -0.084 0.000 0.857 451 D CB -0.661 40.150 40.800 0.019 0.000 0.934 451 D HN 0.046 8.490 8.370 0.124 0.000 0.475 452 S N -2.351 113.228 115.700 -0.203 0.000 2.496 452 S HA -0.065 nan 4.470 nan 0.000 0.224 452 S C 0.934 175.512 174.600 -0.036 0.000 0.996 452 S CA 1.493 59.608 58.200 -0.142 0.000 0.927 452 S CB 0.245 63.335 63.200 -0.183 0.000 0.774 452 S HN -0.543 7.484 8.310 -0.279 0.116 0.524 453 W N -0.495 120.617 121.300 -0.314 0.000 2.574 453 W HA 0.056 nan 4.660 nan 0.000 0.282 453 W C 0.614 176.955 176.519 -0.297 0.000 1.197 453 W CA -0.794 56.294 57.345 -0.428 0.000 1.376 453 W CB 0.875 29.989 29.460 -0.578 0.000 1.091 453 W HN -0.607 7.265 8.180 -0.234 0.167 0.569 454 V N 0.849 120.645 119.914 -0.197 0.000 2.223 454 V HA -0.020 nan 4.120 nan 0.000 0.249 454 V C -0.868 175.146 176.094 -0.133 0.000 1.233 454 V CA -0.687 61.467 62.300 -0.244 0.000 1.131 454 V CB -1.233 30.249 31.823 -0.568 0.000 1.298 454 V HN -0.236 7.741 8.190 -0.356 0.000 0.498 455 R N 9.087 129.558 120.500 -0.049 0.000 2.346 455 R HA 0.501 nan 4.340 nan 0.000 0.309 455 R C -0.580 175.711 176.300 -0.014 0.000 1.119 455 R CA -3.944 52.142 56.100 -0.024 0.000 1.112 455 R CB -0.865 29.436 30.300 0.003 0.000 1.132 455 R HN -0.541 7.718 8.270 -0.018 0.000 0.538 456 P HA -0.196 nan 4.420 nan 0.000 0.216 456 P C 0.327 177.624 177.300 -0.004 0.000 1.150 456 P CA 2.199 65.294 63.100 -0.009 0.000 0.837 456 P CB -0.091 31.605 31.700 -0.006 0.000 0.786 457 E N -2.419 117.780 120.200 -0.003 0.000 2.463 457 E HA -0.205 nan 4.350 nan 0.000 0.201 457 E C 0.245 176.846 176.600 0.001 0.000 1.045 457 E CA 1.753 58.153 56.400 0.000 0.000 0.872 457 E CB -1.871 27.830 29.700 0.002 0.000 0.797 457 E HN 0.443 8.785 8.360 -0.004 0.016 0.538 458 Q N -2.045 117.756 119.800 0.002 0.000 2.201 458 Q HA 0.007 nan 4.340 nan 0.000 0.236 458 Q C -0.919 175.081 176.000 0.001 0.000 0.857 458 Q CA -1.225 54.581 55.803 0.004 0.000 1.025 458 Q CB 0.172 28.916 28.738 0.011 0.000 1.124 458 Q HN -0.536 7.551 8.270 0.001 0.183 0.473 459 M N 0.000 119.599 119.600 -0.002 0.000 2.572 459 M HA 0.000 nan 4.480 nan 0.000 0.227 459 M CA 0.000 55.297 55.300 -0.004 0.000 0.988 459 M CB 0.000 32.597 32.600 -0.005 0.000 1.302 459 M HN 0.000 8.203 8.290 -0.002 0.085 0.411