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 2dqb_1_A DATA FIRST_RESID 2 DATA SEQUENCE RFSREALLEL EASRLAPYAQ KARDTRGRAH PEPESLYRTP YQKDRDRILH DATA SEQUENCE TTAFRRLEYK TQVLPGWAXX YYRTRLTHTL EVAQVSRSIA RALGLNEDLT DATA SEQUENCE EAIALSHDLG HPPFGHTGEH VLNALXQDHG GFEHNAQALR ILTHLEVRYP DATA SEQUENCE GFRGLNLTYE VLEGIATHEA XXXXXXXXXX XGQGTLEAQV VDLSDAIAYA DATA SEQUENCE AHDLDDGFRA GLLHPEELKE VELLQALALE EGLDLLRLPE LDRRVLVRQL DATA SEQUENCE LGYFITAAIE ATHRRVEEAG VQSAEAVRRH PSRLAALGEE AEKALKALKA DATA SEQUENCE FLXERFYRHP EVLRERRKAE AVLEGLFAAY TRYPELLPRE VQAKIPEEGL DATA SEQUENCE ERAVCDYIAG XTDRFALEAY RRLSP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.350 176.300 0.083 0.000 0.893 2 R CA 0.000 56.191 56.100 0.152 0.000 0.921 2 R CB 0.000 30.418 30.300 0.197 0.000 0.687 3 F N 2.372 122.415 119.950 0.155 0.000 2.413 3 F HA 0.265 4.791 4.527 -0.000 0.000 0.359 3 F C 1.281 177.213 175.800 0.220 0.000 1.122 3 F CA -0.225 57.857 58.000 0.137 0.000 1.160 3 F CB 1.200 40.251 39.000 0.086 0.000 1.146 3 F HN 0.394 nan 8.300 nan 0.000 0.514 4 S N 3.586 119.397 115.700 0.186 0.000 2.669 4 S HA 0.350 4.820 4.470 -0.000 0.000 0.270 4 S C 1.527 176.174 174.600 0.080 0.000 1.225 4 S CA -0.818 57.418 58.200 0.059 0.000 0.991 4 S CB 1.249 64.395 63.200 -0.091 0.000 0.987 4 S HN 0.771 nan 8.310 nan 0.000 0.552 5 R N 0.684 121.189 120.500 0.008 0.000 2.112 5 R HA -0.167 4.173 4.340 -0.000 0.000 0.242 5 R C 1.836 178.142 176.300 0.011 0.000 1.137 5 R CA 2.069 58.179 56.100 0.016 0.000 0.944 5 R CB -0.524 29.759 30.300 -0.028 0.000 0.857 5 R HN 0.792 nan 8.270 nan 0.000 0.435 6 E N 0.260 120.451 120.200 -0.016 0.000 2.070 6 E HA -0.231 4.118 4.350 -0.000 0.000 0.197 6 E C 1.935 178.542 176.600 0.010 0.000 1.004 6 E CA 1.555 57.946 56.400 -0.015 0.000 0.805 6 E CB -0.406 29.274 29.700 -0.034 0.000 0.744 6 E HN 0.544 nan 8.360 nan 0.000 0.451 7 A N 1.235 124.072 122.820 0.029 0.000 1.902 7 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 7 A C 2.443 180.101 177.584 0.123 0.000 1.181 7 A CA 1.131 53.206 52.037 0.064 0.000 0.623 7 A CB -0.699 18.333 19.000 0.053 0.000 0.818 7 A HN 0.162 nan 8.150 nan 0.000 0.443 8 L N -0.694 120.613 121.223 0.140 0.000 2.017 8 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 8 L C 2.581 179.488 176.870 0.062 0.000 1.073 8 L CA 1.128 56.039 54.840 0.120 0.000 0.745 8 L CB -0.711 41.410 42.059 0.105 0.000 0.894 8 L HN 0.348 nan 8.230 nan 0.000 0.432 9 L N -0.197 121.046 121.223 0.034 0.000 2.042 9 L HA -0.242 4.097 4.340 -0.000 0.000 0.210 9 L C 2.683 179.562 176.870 0.015 0.000 1.076 9 L CA 1.304 56.148 54.840 0.007 0.000 0.749 9 L CB -0.436 41.613 42.059 -0.017 0.000 0.893 9 L HN 0.293 nan 8.230 nan 0.000 0.432 10 E N 0.625 120.839 120.200 0.024 0.000 2.047 10 E HA -0.190 4.160 4.350 -0.000 0.000 0.191 10 E C 2.194 178.813 176.600 0.033 0.000 0.987 10 E CA 1.283 57.697 56.400 0.022 0.000 0.799 10 E CB -0.266 29.446 29.700 0.021 0.000 0.752 10 E HN 0.338 nan 8.360 nan 0.000 0.449 11 L N 0.498 121.754 121.223 0.056 0.000 1.989 11 L HA -0.202 4.138 4.340 -0.000 0.000 0.211 11 L C 2.680 179.570 176.870 0.034 0.000 1.071 11 L CA 1.835 56.710 54.840 0.058 0.000 0.749 11 L CB -0.501 41.613 42.059 0.091 0.000 0.890 11 L HN 0.322 nan 8.230 nan 0.000 0.431 12 E N 0.094 120.315 120.200 0.033 0.000 2.055 12 E HA -0.226 4.124 4.350 -0.000 0.000 0.209 12 E C 0.961 177.569 176.600 0.014 0.000 1.036 12 E CA 1.047 57.463 56.400 0.026 0.000 0.849 12 E CB -0.065 29.656 29.700 0.034 0.000 0.767 12 E HN 0.469 nan 8.360 nan 0.000 0.461 13 A N -0.145 122.682 122.820 0.012 0.000 2.445 13 A HA 0.194 4.513 4.320 -0.000 0.000 0.242 13 A C 0.908 178.491 177.584 -0.002 0.000 1.075 13 A CA 0.890 52.928 52.037 0.001 0.000 0.777 13 A CB 0.360 19.360 19.000 0.001 0.000 1.013 13 A HN 0.610 nan 8.150 nan 0.000 0.493 14 S N 0.187 115.879 115.700 -0.013 0.000 2.105 14 S HA -0.238 4.232 4.470 -0.000 0.000 0.242 14 S C 1.182 175.773 174.600 -0.015 0.000 1.128 14 S CA 1.726 59.919 58.200 -0.012 0.000 1.482 14 S CB -1.213 61.986 63.200 -0.001 0.000 1.865 14 S HN 0.951 nan 8.310 nan 0.000 0.577 15 R N 0.997 121.489 120.500 -0.014 0.000 2.146 15 R HA 0.588 4.927 4.340 -0.000 0.000 0.206 15 R C 0.970 177.249 176.300 -0.034 0.000 1.049 15 R CA 1.079 57.170 56.100 -0.016 0.000 1.029 15 R CB -0.172 30.125 30.300 -0.004 0.000 0.949 15 R HN 0.658 nan 8.270 nan 0.000 0.471 16 L N 0.440 121.637 121.223 -0.043 0.000 2.466 16 L HA 0.360 4.699 4.340 -0.000 0.000 0.257 16 L C 0.486 177.267 176.870 -0.148 0.000 1.189 16 L CA -0.837 53.957 54.840 -0.077 0.000 0.813 16 L CB 0.557 42.582 42.059 -0.057 0.000 1.118 16 L HN 0.133 nan 8.230 nan 0.000 0.471 17 A N 2.012 124.673 122.820 -0.265 0.000 2.406 17 A HA 0.280 4.599 4.320 -0.000 0.000 0.243 17 A C -1.684 175.602 177.584 -0.497 0.000 1.082 17 A CA -0.972 50.768 52.037 -0.495 0.000 0.786 17 A CB -0.164 18.224 19.000 -1.019 0.000 1.029 17 A HN 0.612 nan 8.150 nan 0.000 0.495 18 P HA -0.199 nan 4.420 nan 0.000 0.215 18 P C 0.803 178.013 177.300 -0.151 0.000 1.157 18 P CA 2.044 65.023 63.100 -0.201 0.000 0.874 18 P CB -0.204 31.446 31.700 -0.085 0.000 0.790 19 Y N -1.654 118.648 120.300 0.003 0.000 2.632 19 Y HA 0.452 5.002 4.550 0.000 0.000 0.301 19 Y C 0.859 176.762 175.900 0.005 0.000 1.172 19 Y CA -1.067 57.032 58.100 -0.002 0.000 1.328 19 Y CB -1.572 36.875 38.460 -0.021 0.000 1.016 19 Y HN -0.175 nan 8.280 nan 0.000 0.529 20 A N 1.080 123.849 122.820 -0.085 0.000 2.322 20 A HA 0.365 4.685 4.320 -0.000 0.000 0.269 20 A C -0.206 177.401 177.584 0.038 0.000 1.094 20 A CA -0.722 51.326 52.037 0.018 0.000 0.807 20 A CB 0.406 19.359 19.000 -0.079 0.000 1.047 20 A HN 0.414 nan 8.150 nan 0.000 0.487 21 Q N 0.929 120.768 119.800 0.065 0.000 2.307 21 Q HA 0.323 4.662 4.340 -0.000 0.000 0.261 21 Q C -0.840 175.244 176.000 0.139 0.000 1.051 21 Q CA 0.354 56.215 55.803 0.095 0.000 0.911 21 Q CB 0.172 28.959 28.738 0.081 0.000 1.227 21 Q HN 0.417 nan 8.270 nan 0.000 0.418 22 K N 2.871 123.340 120.400 0.116 0.000 2.249 22 K HA 0.375 4.695 4.320 -0.000 0.000 0.280 22 K C 0.568 177.252 176.600 0.140 0.000 1.033 22 K CA 0.437 56.787 56.287 0.106 0.000 0.946 22 K CB 1.209 33.736 32.500 0.045 0.000 1.005 22 K HN 0.713 nan 8.250 nan 0.000 0.469 23 A N 3.968 126.847 122.820 0.098 0.000 2.019 23 A HA -0.195 4.124 4.320 -0.000 0.000 0.219 23 A C 1.730 179.222 177.584 -0.154 0.000 1.164 23 A CA 1.600 53.532 52.037 -0.175 0.000 0.644 23 A CB -0.469 18.285 19.000 -0.410 0.000 0.805 23 A HN 0.812 nan 8.150 nan 0.000 0.449 24 R N -0.647 119.814 120.500 -0.065 0.000 2.237 24 R HA -0.043 4.297 4.340 -0.000 0.000 0.219 24 R C -0.188 176.093 176.300 -0.032 0.000 1.080 24 R CA 1.413 57.481 56.100 -0.054 0.000 0.995 24 R CB -0.373 29.908 30.300 -0.032 0.000 0.875 24 R HN 0.229 nan 8.270 nan 0.000 0.462 25 D N 1.202 121.600 120.400 -0.003 0.000 2.336 25 D HA 0.003 4.642 4.640 -0.000 0.000 0.228 25 D C -0.004 176.308 176.300 0.020 0.000 1.120 25 D CA 0.335 54.340 54.000 0.009 0.000 0.839 25 D CB 0.503 41.320 40.800 0.029 0.000 0.932 25 D HN 0.139 nan 8.370 nan 0.000 0.509 26 T N -0.015 114.546 114.554 0.011 0.000 2.900 26 T HA 0.060 4.410 4.350 -0.000 0.000 0.307 26 T C 1.322 176.021 174.700 -0.001 0.000 1.065 26 T CA -0.098 62.026 62.100 0.040 0.000 1.105 26 T CB 0.875 69.735 68.868 -0.012 0.000 0.979 26 T HN 0.007 nan 8.240 nan 0.000 0.544 27 R N 2.277 122.776 120.500 -0.002 0.000 2.310 27 R HA 0.277 4.616 4.340 -0.000 0.000 0.202 27 R C 1.427 177.713 176.300 -0.024 0.000 0.933 27 R CA 0.345 56.392 56.100 -0.088 0.000 1.054 27 R CB -0.269 29.843 30.300 -0.314 0.000 0.985 27 R HN 0.971 nan 8.270 nan 0.000 0.489 28 G N 1.522 110.338 108.800 0.026 0.000 2.660 28 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.215 28 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.215 28 G C -0.892 174.037 174.900 0.049 0.000 1.345 28 G CA -0.731 44.379 45.100 0.017 0.000 0.877 28 G HN 0.278 nan 8.290 nan 0.000 0.549 29 R N -0.105 120.399 120.500 0.006 0.000 2.720 29 R HA 0.728 5.067 4.340 -0.000 0.000 0.272 29 R C 1.539 177.825 176.300 -0.023 0.000 0.991 29 R CA -0.268 55.827 56.100 -0.008 0.000 1.010 29 R CB 1.327 31.593 30.300 -0.057 0.000 1.141 29 R HN 0.986 nan 8.270 nan 0.000 0.494 30 A N 1.327 124.134 122.820 -0.022 0.000 1.835 30 A HA -0.096 4.224 4.320 -0.000 0.000 0.215 30 A C 0.230 177.688 177.584 -0.211 0.000 1.199 30 A CA 1.241 53.222 52.037 -0.094 0.000 0.615 30 A CB -0.710 18.256 19.000 -0.056 0.000 0.838 30 A HN 0.677 nan 8.150 nan 0.000 0.444 31 H N -0.192 118.758 119.070 -0.199 0.000 2.481 31 H HA 0.459 5.015 4.556 -0.001 0.000 0.339 31 H C -2.471 172.776 175.328 -0.135 0.000 1.131 31 H CA -1.957 53.988 56.048 -0.171 0.000 1.301 31 H CB 0.206 29.802 29.762 -0.277 0.000 1.476 31 H HN 0.273 nan 8.280 nan 0.000 0.529 32 P HA 0.145 nan 4.420 nan 0.000 0.285 32 P C -0.950 176.380 177.300 0.051 0.000 1.259 32 P CA -0.563 62.551 63.100 0.024 0.000 0.794 32 P CB 1.374 33.086 31.700 0.018 0.000 0.940 33 E N 3.155 123.370 120.200 0.026 0.000 2.390 33 E HA 0.551 4.901 4.350 -0.000 0.000 0.277 33 E C -2.576 174.036 176.600 0.020 0.000 0.939 33 E CA -2.259 54.167 56.400 0.043 0.000 0.769 33 E CB 0.627 30.356 29.700 0.049 0.000 1.251 33 E HN 0.258 nan 8.360 nan 0.000 0.450 34 P HA 0.005 nan 4.420 nan 0.000 0.266 34 P C -0.702 176.598 177.300 -0.001 0.000 1.195 34 P CA 0.121 63.227 63.100 0.010 0.000 0.768 34 P CB 0.648 32.357 31.700 0.015 0.000 0.838 35 E N 1.033 121.224 120.200 -0.014 0.000 2.360 35 E HA 0.172 4.521 4.350 -0.000 0.000 0.269 35 E C 0.632 177.217 176.600 -0.024 0.000 1.022 35 E CA -0.302 56.083 56.400 -0.024 0.000 0.887 35 E CB 0.549 30.228 29.700 -0.036 0.000 0.990 35 E HN 0.531 nan 8.360 nan 0.000 0.426 36 S N 2.692 118.381 115.700 -0.018 0.000 2.624 36 S HA 0.340 4.810 4.470 -0.000 0.000 0.263 36 S C -0.262 174.307 174.600 -0.053 0.000 1.287 36 S CA -0.893 57.300 58.200 -0.013 0.000 0.990 36 S CB 0.812 64.027 63.200 0.025 0.000 0.950 36 S HN 0.339 nan 8.310 nan 0.000 0.561 37 L N 1.764 122.929 121.223 -0.097 0.000 2.317 37 L HA 0.530 4.869 4.340 -0.000 0.000 0.281 37 L C -0.311 176.410 176.870 -0.248 0.000 1.024 37 L CA -0.027 54.648 54.840 -0.275 0.000 0.810 37 L CB 0.134 41.929 42.059 -0.439 0.000 1.240 37 L HN 0.978 nan 8.230 nan 0.000 0.427 38 Y N 1.151 121.469 120.300 0.030 0.000 2.716 38 Y HA -0.289 4.260 4.550 -0.001 0.000 0.473 38 Y C 0.693 176.616 175.900 0.038 0.000 1.306 38 Y CA 0.713 58.840 58.100 0.046 0.000 2.486 38 Y CB -0.917 37.569 38.460 0.045 0.000 1.090 38 Y HN 0.469 nan 8.280 nan 0.000 0.556 39 R N 2.112 122.722 120.500 0.183 0.000 2.390 39 R HA 0.407 4.746 4.340 -0.000 0.000 0.291 39 R C -0.230 176.097 176.300 0.044 0.000 1.070 39 R CA 0.106 56.270 56.100 0.106 0.000 1.014 39 R CB 1.153 31.509 30.300 0.093 0.000 1.007 39 R HN 0.012 nan 8.270 nan 0.000 0.466 40 T N 4.133 118.703 114.554 0.027 0.000 2.904 40 T HA 0.079 4.428 4.350 -0.000 0.000 0.290 40 T C -1.484 173.168 174.700 -0.079 0.000 1.018 40 T CA -1.500 60.580 62.100 -0.034 0.000 1.075 40 T CB 1.248 70.103 68.868 -0.021 0.000 0.986 40 T HN 0.351 nan 8.240 nan 0.000 0.523 41 P HA -0.158 nan 4.420 nan 0.000 0.217 41 P C 0.821 178.055 177.300 -0.110 0.000 1.158 41 P CA 1.450 64.416 63.100 -0.224 0.000 0.887 41 P CB -0.023 31.429 31.700 -0.413 0.000 0.792 42 Y N -0.781 119.528 120.300 0.014 0.000 2.314 42 Y HA -0.100 4.450 4.550 0.000 0.000 0.293 42 Y C 2.724 178.627 175.900 0.005 0.000 1.129 42 Y CA 0.550 58.655 58.100 0.008 0.000 1.201 42 Y CB -1.518 36.946 38.460 0.008 0.000 0.999 42 Y HN 0.090 nan 8.280 nan 0.000 0.541 43 Q N 0.868 120.749 119.800 0.136 0.000 2.084 43 Q HA -0.226 4.114 4.340 -0.000 0.000 0.202 43 Q C 2.358 178.400 176.000 0.070 0.000 0.978 43 Q CA 1.859 57.713 55.803 0.085 0.000 0.844 43 Q CB -0.064 28.712 28.738 0.063 0.000 0.898 43 Q HN 0.433 nan 8.270 nan 0.000 0.426 44 K N -0.120 120.318 120.400 0.063 0.000 2.057 44 K HA -0.185 4.135 4.320 -0.000 0.000 0.206 44 K C 1.365 178.006 176.600 0.068 0.000 1.050 44 K CA 1.723 58.047 56.287 0.063 0.000 0.935 44 K CB 0.009 32.534 32.500 0.040 0.000 0.715 44 K HN 0.214 nan 8.250 nan 0.000 0.439 45 D N 0.527 120.974 120.400 0.078 0.000 2.104 45 D HA -0.145 4.494 4.640 -0.000 0.000 0.194 45 D C 2.037 178.362 176.300 0.042 0.000 0.994 45 D CA 1.137 55.181 54.000 0.074 0.000 0.830 45 D CB -0.096 40.774 40.800 0.116 0.000 0.959 45 D HN 0.197 nan 8.370 nan 0.000 0.452 46 R N 0.354 120.874 120.500 0.032 0.000 2.096 46 R HA -0.147 4.192 4.340 -0.000 0.000 0.240 46 R C 1.740 177.992 176.300 -0.079 0.000 1.139 46 R CA 1.566 57.647 56.100 -0.031 0.000 0.952 46 R CB -0.164 30.124 30.300 -0.021 0.000 0.854 46 R HN 0.217 nan 8.270 nan 0.000 0.436 47 D N -0.244 120.148 120.400 -0.014 0.000 2.123 47 D HA -0.151 4.489 4.640 -0.000 0.000 0.196 47 D C 2.005 178.348 176.300 0.073 0.000 0.992 47 D CA 1.255 55.265 54.000 0.017 0.000 0.833 47 D CB -0.131 40.743 40.800 0.124 0.000 0.954 47 D HN 0.250 nan 8.370 nan 0.000 0.455 48 R N 0.110 120.682 120.500 0.119 0.000 2.073 48 R HA 0.038 4.378 4.340 -0.000 0.000 0.229 48 R C 2.632 178.983 176.300 0.084 0.000 1.120 48 R CA 0.511 56.729 56.100 0.195 0.000 0.967 48 R CB -0.301 30.119 30.300 0.199 0.000 0.862 48 R HN 0.228 nan 8.270 nan 0.000 0.436 49 I N 1.009 121.574 120.570 -0.007 0.000 2.151 49 I HA -0.311 3.859 4.170 -0.000 0.000 0.243 49 I C 1.924 177.892 176.117 -0.248 0.000 1.080 49 I CA 1.102 62.368 61.300 -0.057 0.000 1.339 49 I CB -0.324 37.636 38.000 -0.066 0.000 1.039 49 I HN 0.096 nan 8.210 nan 0.000 0.409 50 L N 0.062 120.975 121.223 -0.516 0.000 2.127 50 L HA -0.236 4.104 4.340 -0.000 0.000 0.211 50 L C 2.175 178.703 176.870 -0.569 0.000 1.089 50 L CA 2.004 56.295 54.840 -0.916 0.000 0.757 50 L CB -1.744 39.794 42.059 -0.868 0.000 0.899 50 L HN 0.385 nan 8.230 nan 0.000 0.434 51 H N -1.673 117.351 119.070 -0.077 0.000 2.539 51 H HA 0.095 4.651 4.556 -0.000 0.000 0.269 51 H C 1.013 176.379 175.328 0.063 0.000 0.980 51 H CA 0.121 56.177 56.048 0.014 0.000 1.152 51 H CB -0.002 29.767 29.762 0.011 0.000 1.407 51 H HN 0.305 nan 8.280 nan 0.000 0.564 52 T N -2.440 112.209 114.554 0.158 0.000 2.856 52 T HA -0.021 4.329 4.350 -0.000 0.000 0.306 52 T C 1.583 176.387 174.700 0.173 0.000 1.062 52 T CA -0.072 62.127 62.100 0.164 0.000 1.083 52 T CB 1.390 70.358 68.868 0.166 0.000 0.984 52 T HN 0.053 nan 8.240 nan 0.000 0.542 53 T N 1.428 116.059 114.554 0.128 0.000 2.777 53 T HA 0.020 4.370 4.350 -0.000 0.000 0.266 53 T C 2.398 177.168 174.700 0.117 0.000 1.040 53 T CA 1.228 63.392 62.100 0.108 0.000 1.141 53 T CB -0.816 68.088 68.868 0.061 0.000 0.868 53 T HN 0.801 nan 8.240 nan 0.000 0.444 54 A N 0.745 123.635 122.820 0.115 0.000 1.940 54 A HA -0.059 4.261 4.320 -0.000 0.000 0.219 54 A C 1.990 179.640 177.584 0.110 0.000 1.176 54 A CA 1.359 53.454 52.037 0.098 0.000 0.631 54 A CB -0.946 18.114 19.000 0.099 0.000 0.814 54 A HN 0.535 nan 8.150 nan 0.000 0.446 55 F N 0.432 120.405 119.950 0.039 0.000 2.186 55 F HA -0.119 4.409 4.527 0.000 0.000 0.299 55 F C 2.279 178.094 175.800 0.025 0.000 1.090 55 F CA 1.921 59.935 58.000 0.024 0.000 1.307 55 F CB -0.070 38.936 39.000 0.010 0.000 1.019 55 F HN 0.212 nan 8.300 nan 0.000 0.489 56 R N 0.841 121.466 120.500 0.208 0.000 2.081 56 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 56 R C 2.132 178.483 176.300 0.086 0.000 1.131 56 R CA 1.357 57.550 56.100 0.155 0.000 0.960 56 R CB -0.420 30.000 30.300 0.200 0.000 0.856 56 R HN 0.064 nan 8.270 nan 0.000 0.436 57 R N 0.290 120.842 120.500 0.086 0.000 2.193 57 R HA -0.061 4.279 4.340 -0.000 0.000 0.229 57 R C 1.887 178.186 176.300 -0.000 0.000 1.110 57 R CA 0.532 56.703 56.100 0.118 0.000 0.988 57 R CB -0.825 29.507 30.300 0.054 0.000 0.871 57 R HN 0.223 nan 8.270 nan 0.000 0.458 58 L N 1.487 122.623 121.223 -0.145 0.000 2.189 58 L HA -0.156 4.184 4.340 -0.000 0.000 0.214 58 L C 2.089 178.799 176.870 -0.267 0.000 1.097 58 L CA 1.617 56.310 54.840 -0.244 0.000 0.764 58 L CB -0.552 41.227 42.059 -0.466 0.000 0.900 58 L HN 0.227 nan 8.230 nan 0.000 0.436 59 E N -2.231 117.765 120.200 -0.341 0.000 2.482 59 E HA -0.147 4.203 4.350 -0.000 0.000 0.196 59 E C 0.488 176.653 176.600 -0.725 0.000 1.047 59 E CA 0.394 56.472 56.400 -0.537 0.000 0.869 59 E CB 0.175 29.472 29.700 -0.672 0.000 0.836 59 E HN 0.568 nan 8.360 nan 0.000 0.520 60 Y N -0.453 119.813 120.300 -0.058 0.000 2.682 60 Y HA 0.377 4.926 4.550 -0.001 0.000 0.251 60 Y C -0.436 175.425 175.900 -0.066 0.000 1.172 60 Y CA -0.391 57.687 58.100 -0.037 0.000 1.186 60 Y CB 0.831 39.283 38.460 -0.014 0.000 1.216 60 Y HN -0.265 nan 8.280 nan 0.000 0.540 61 K N 0.330 120.715 120.400 -0.025 0.000 2.397 61 K HA 0.462 4.782 4.320 -0.000 0.000 0.253 61 K C -0.310 176.224 176.600 -0.109 0.000 0.932 61 K CA -0.540 55.694 56.287 -0.088 0.000 0.795 61 K CB 2.440 34.873 32.500 -0.113 0.000 1.159 61 K HN -0.065 nan 8.250 nan 0.000 0.424 62 T N 0.969 115.450 114.554 -0.121 0.000 2.927 62 T HA 0.219 4.569 4.350 -0.000 0.000 0.281 62 T C -0.779 173.836 174.700 -0.142 0.000 0.998 62 T CA -0.482 61.550 62.100 -0.113 0.000 1.019 62 T CB 1.330 70.131 68.868 -0.112 0.000 1.061 62 T HN 0.450 nan 8.240 nan 0.000 0.518 63 Q N 2.005 121.740 119.800 -0.107 0.000 2.257 63 Q HA 0.590 4.929 4.340 -0.000 0.000 0.255 63 Q C 0.390 176.336 176.000 -0.090 0.000 0.920 63 Q CA 0.170 55.891 55.803 -0.138 0.000 0.927 63 Q CB 0.878 29.523 28.738 -0.156 0.000 1.229 63 Q HN 0.728 nan 8.270 nan 0.000 0.433 64 V N 0.963 120.793 119.914 -0.140 0.000 0.637 64 V HA -0.342 3.778 4.120 -0.000 0.000 0.092 64 V C -0.459 175.463 176.094 -0.288 0.000 1.449 64 V CA 1.634 63.806 62.300 -0.213 0.000 3.266 64 V CB -1.839 29.914 31.823 -0.116 0.000 0.524 64 V HN 0.724 nan 8.190 nan 0.000 0.528 65 L N 0.484 121.502 121.223 -0.341 0.000 2.319 65 L HA 0.931 5.271 4.340 -0.000 0.000 0.267 65 L C -2.597 173.997 176.870 -0.460 0.000 1.011 65 L CA -2.297 52.287 54.840 -0.427 0.000 0.818 65 L CB 0.114 41.837 42.059 -0.559 0.000 1.316 65 L HN 0.294 nan 8.230 nan 0.000 0.432 66 P HA -0.002 nan 4.420 nan 0.000 0.265 66 P C 0.689 177.498 177.300 -0.819 0.000 1.187 66 P CA 0.483 63.128 63.100 -0.758 0.000 0.766 66 P CB 0.653 31.425 31.700 -1.547 0.000 0.820 67 G N 3.906 112.409 108.800 -0.495 0.000 2.679 67 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 67 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 67 G C -0.142 174.646 174.900 -0.188 0.000 1.267 67 G CA 0.657 45.608 45.100 -0.248 0.000 0.799 67 G HN 0.756 nan 8.290 nan 0.000 0.606 68 W N 0.481 121.818 121.300 0.061 0.000 2.758 68 W HA 0.276 4.934 4.660 -0.002 0.000 0.308 68 W C -0.103 176.427 176.519 0.018 0.000 0.895 68 W CA -1.041 56.327 57.345 0.038 0.000 1.086 68 W CB -0.481 28.992 29.460 0.021 0.000 1.084 68 W HN 0.649 nan 8.180 nan 0.000 0.527 73 Y N 2.859 123.165 120.300 0.011 0.000 2.584 73 Y HA 0.530 5.079 4.550 -0.001 0.000 0.358 73 Y C 1.093 176.998 175.900 0.009 0.000 1.028 73 Y CA -1.186 56.929 58.100 0.025 0.000 1.148 73 Y CB 0.687 39.157 38.460 0.017 0.000 1.126 73 Y HN 0.803 nan 8.280 nan 0.000 0.658 74 R N 0.061 120.614 120.500 0.089 0.000 3.374 74 R HA -0.337 4.002 4.340 -0.000 0.000 0.294 74 R C -0.224 176.098 176.300 0.037 0.000 0.751 74 R CA 2.115 58.252 56.100 0.062 0.000 1.019 74 R CB -1.288 29.077 30.300 0.109 0.000 0.685 74 R HN 0.542 nan 8.270 nan 0.000 0.480 75 T N -2.871 111.700 114.554 0.027 0.000 2.751 75 T HA -0.032 4.317 4.350 -0.000 0.000 0.473 75 T C 0.226 174.900 174.700 -0.044 0.000 1.496 75 T CA 0.180 62.259 62.100 -0.035 0.000 1.752 75 T CB -0.036 68.788 68.868 -0.072 0.000 1.992 75 T HN 0.466 nan 8.240 nan 0.000 0.489 76 R N 0.647 121.091 120.500 -0.093 0.000 2.127 76 R HA -0.110 4.229 4.340 -0.000 0.000 0.238 76 R C 2.307 178.557 176.300 -0.084 0.000 1.134 76 R CA 1.562 57.607 56.100 -0.091 0.000 0.975 76 R CB -0.281 29.938 30.300 -0.134 0.000 0.865 76 R HN 0.457 nan 8.270 nan 0.000 0.447 77 L N 0.716 121.845 121.223 -0.158 0.000 2.046 77 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 77 L C 1.858 178.683 176.870 -0.075 0.000 1.077 77 L CA 1.975 56.693 54.840 -0.203 0.000 0.747 77 L CB -0.853 41.048 42.059 -0.264 0.000 0.896 77 L HN 0.016 nan 8.230 nan 0.000 0.432 78 T N -1.422 113.119 114.554 -0.021 0.000 2.746 78 T HA -0.238 4.112 4.350 -0.000 0.000 0.267 78 T C 1.742 176.496 174.700 0.089 0.000 1.039 78 T CA 1.667 63.795 62.100 0.046 0.000 1.142 78 T CB -0.412 68.494 68.868 0.063 0.000 0.866 78 T HN 0.618 nan 8.240 nan 0.000 0.444 79 H N 1.122 120.186 119.070 -0.010 0.000 2.267 79 H HA -0.093 4.464 4.556 0.001 0.000 0.297 79 H C 2.306 177.602 175.328 -0.053 0.000 1.080 79 H CA 2.284 58.297 56.048 -0.058 0.000 1.278 79 H CB -0.724 28.942 29.762 -0.160 0.000 1.365 79 H HN 0.172 nan 8.280 nan 0.000 0.489 80 T N 1.169 115.660 114.554 -0.105 0.000 2.635 80 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 80 T C 2.324 176.995 174.700 -0.048 0.000 1.040 80 T CA 1.722 63.786 62.100 -0.059 0.000 1.156 80 T CB -0.521 68.354 68.868 0.010 0.000 0.863 80 T HN 0.237 nan 8.240 nan 0.000 0.430 81 L N 0.536 121.753 121.223 -0.009 0.000 2.043 81 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 81 L C 2.772 179.622 176.870 -0.034 0.000 1.075 81 L CA 1.619 56.468 54.840 0.016 0.000 0.752 81 L CB -0.487 41.597 42.059 0.042 0.000 0.891 81 L HN 0.302 nan 8.230 nan 0.000 0.432 82 E N -0.028 120.120 120.200 -0.087 0.000 2.106 82 E HA -0.152 4.197 4.350 -0.000 0.000 0.192 82 E C 2.045 178.520 176.600 -0.207 0.000 0.984 82 E CA 1.084 57.395 56.400 -0.149 0.000 0.806 82 E CB -0.027 29.494 29.700 -0.297 0.000 0.750 82 E HN 0.203 nan 8.360 nan 0.000 0.458 83 V N 0.848 120.590 119.914 -0.287 0.000 2.427 83 V HA -0.210 3.910 4.120 -0.000 0.000 0.248 83 V C 2.366 178.379 176.094 -0.135 0.000 1.051 83 V CA 1.631 63.786 62.300 -0.241 0.000 1.048 83 V CB -0.846 30.817 31.823 -0.268 0.000 0.666 83 V HN 0.472 nan 8.190 nan 0.000 0.456 84 A N -0.568 122.200 122.820 -0.088 0.000 1.902 84 A HA -0.281 4.038 4.320 -0.000 0.000 0.217 84 A C 2.268 179.826 177.584 -0.043 0.000 1.181 84 A CA 1.983 53.991 52.037 -0.048 0.000 0.623 84 A CB -0.526 18.471 19.000 -0.005 0.000 0.818 84 A HN 0.512 nan 8.150 nan 0.000 0.443 85 Q N 0.189 119.965 119.800 -0.040 0.000 2.046 85 Q HA -0.116 4.224 4.340 -0.000 0.000 0.200 85 Q C 2.115 178.100 176.000 -0.025 0.000 0.975 85 Q CA 2.205 57.994 55.803 -0.023 0.000 0.836 85 Q CB -0.379 28.352 28.738 -0.011 0.000 0.896 85 Q HN 0.411 nan 8.270 nan 0.000 0.428 86 V N 1.489 121.378 119.914 -0.041 0.000 2.307 86 V HA -0.242 3.877 4.120 -0.000 0.000 0.245 86 V C 2.688 178.766 176.094 -0.026 0.000 1.045 86 V CA 1.992 64.276 62.300 -0.026 0.000 1.024 86 V CB -0.988 30.814 31.823 -0.035 0.000 0.651 86 V HN 0.512 nan 8.190 nan 0.000 0.449 87 S N 0.875 116.546 115.700 -0.048 0.000 2.356 87 S HA -0.243 4.226 4.470 -0.000 0.000 0.223 87 S C 2.064 176.645 174.600 -0.032 0.000 1.032 87 S CA 1.432 59.603 58.200 -0.048 0.000 1.005 87 S CB -0.546 62.604 63.200 -0.083 0.000 0.867 87 S HN 0.564 nan 8.310 nan 0.000 0.449 88 R N 0.976 121.457 120.500 -0.031 0.000 2.096 88 R HA -0.004 4.336 4.340 -0.000 0.000 0.235 88 R C 2.827 179.122 176.300 -0.010 0.000 1.127 88 R CA 1.325 57.413 56.100 -0.020 0.000 0.968 88 R CB -0.707 29.582 30.300 -0.019 0.000 0.861 88 R HN 0.533 nan 8.270 nan 0.000 0.440 89 S N 0.814 116.510 115.700 -0.007 0.000 2.348 89 S HA -0.097 4.372 4.470 -0.000 0.000 0.221 89 S C 1.945 176.548 174.600 0.004 0.000 1.033 89 S CA 1.083 59.283 58.200 0.000 0.000 1.010 89 S CB -0.102 63.100 63.200 0.004 0.000 0.891 89 S HN 0.198 nan 8.310 nan 0.000 0.442 90 I N 1.542 122.115 120.570 0.005 0.000 2.179 90 I HA -0.157 4.013 4.170 -0.000 0.000 0.242 90 I C 2.816 178.944 176.117 0.019 0.000 1.088 90 I CA 1.080 62.387 61.300 0.012 0.000 1.357 90 I CB -0.614 37.392 38.000 0.011 0.000 1.051 90 I HN 0.377 nan 8.210 nan 0.000 0.409 91 A N 0.819 123.646 122.820 0.013 0.000 1.883 91 A HA -0.285 4.035 4.320 -0.000 0.000 0.217 91 A C 2.456 180.058 177.584 0.030 0.000 1.186 91 A CA 2.029 54.080 52.037 0.023 0.000 0.624 91 A CB -0.760 18.242 19.000 0.004 0.000 0.822 91 A HN 0.347 nan 8.150 nan 0.000 0.444 92 R N -0.517 119.992 120.500 0.015 0.000 2.091 92 R HA -0.131 4.208 4.340 -0.000 0.000 0.238 92 R C 2.294 178.605 176.300 0.018 0.000 1.136 92 R CA 1.447 57.554 56.100 0.012 0.000 0.959 92 R CB -0.420 29.882 30.300 0.003 0.000 0.856 92 R HN 0.468 nan 8.270 nan 0.000 0.437 93 A N 0.607 123.438 122.820 0.019 0.000 1.972 93 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 93 A C 1.910 179.519 177.584 0.043 0.000 1.169 93 A CA 1.090 53.138 52.037 0.018 0.000 0.635 93 A CB -0.240 18.766 19.000 0.009 0.000 0.810 93 A HN 0.355 nan 8.150 nan 0.000 0.446 94 L N -1.195 120.073 121.223 0.074 0.000 2.628 94 L HA 0.245 4.584 4.340 -0.000 0.000 0.229 94 L C 1.501 178.468 176.870 0.162 0.000 1.137 94 L CA 0.373 55.303 54.840 0.151 0.000 0.909 94 L CB -0.111 42.048 42.059 0.168 0.000 1.137 94 L HN 0.533 nan 8.230 nan 0.000 0.470 95 G N 0.782 109.623 108.800 0.067 0.000 2.179 95 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.257 95 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.257 95 G C 0.238 175.130 174.900 -0.013 0.000 1.010 95 G CA 0.113 45.215 45.100 0.003 0.000 0.736 95 G HN 0.254 nan 8.290 nan 0.000 0.513 96 L N -0.384 120.869 121.223 0.050 0.000 2.454 96 L HA 0.333 4.672 4.340 -0.000 0.000 0.256 96 L C 1.028 177.911 176.870 0.021 0.000 1.136 96 L CA -1.001 53.872 54.840 0.055 0.000 0.804 96 L CB 0.457 42.566 42.059 0.085 0.000 1.181 96 L HN 0.135 nan 8.230 nan 0.000 0.469 97 N N 1.287 119.997 118.700 0.018 0.000 2.416 97 N HA -0.056 4.683 4.740 -0.000 0.000 0.265 97 N C 0.603 176.110 175.510 -0.004 0.000 1.195 97 N CA 0.411 53.473 53.050 0.020 0.000 0.943 97 N CB 0.994 39.499 38.487 0.030 0.000 1.115 97 N HN 0.587 nan 8.380 nan 0.000 0.481 98 E N 2.472 122.677 120.200 0.009 0.000 2.107 98 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 98 E C 0.265 176.861 176.600 -0.007 0.000 0.982 98 E CA 0.824 57.221 56.400 -0.004 0.000 0.809 98 E CB 0.343 30.044 29.700 0.001 0.000 0.756 98 E HN 0.575 nan 8.360 nan 0.000 0.459 99 D N 0.559 120.976 120.400 0.028 0.000 2.178 99 D HA -0.147 4.493 4.640 -0.000 0.000 0.202 99 D C 1.981 178.269 176.300 -0.021 0.000 0.974 99 D CA 0.506 54.536 54.000 0.049 0.000 0.841 99 D CB -0.010 40.880 40.800 0.150 0.000 0.953 99 D HN 0.187 nan 8.370 nan 0.000 0.478 100 L N 1.025 122.160 121.223 -0.146 0.000 2.044 100 L HA -0.092 4.247 4.340 -0.000 0.000 0.205 100 L C 2.181 178.920 176.870 -0.219 0.000 1.075 100 L CA 1.765 56.361 54.840 -0.408 0.000 0.747 100 L CB -1.102 40.587 42.059 -0.616 0.000 0.903 100 L HN -0.107 nan 8.230 nan 0.000 0.435 101 T N -0.390 114.078 114.554 -0.142 0.000 2.665 101 T HA -0.281 4.068 4.350 -0.000 0.000 0.268 101 T C 1.751 176.392 174.700 -0.099 0.000 1.035 101 T CA 1.954 63.988 62.100 -0.109 0.000 1.151 101 T CB -0.284 68.542 68.868 -0.070 0.000 0.862 101 T HN 0.489 nan 8.240 nan 0.000 0.438 102 E N 0.668 120.826 120.200 -0.069 0.000 2.031 102 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 102 E C 2.520 179.093 176.600 -0.044 0.000 0.994 102 E CA 1.012 57.383 56.400 -0.047 0.000 0.800 102 E CB -0.268 29.415 29.700 -0.029 0.000 0.752 102 E HN 0.459 nan 8.360 nan 0.000 0.447 103 A N 0.997 123.786 122.820 -0.051 0.000 1.903 103 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 103 A C 2.168 179.729 177.584 -0.039 0.000 1.191 103 A CA 1.755 53.769 52.037 -0.039 0.000 0.638 103 A CB -0.781 18.197 19.000 -0.036 0.000 0.823 103 A HN 0.346 nan 8.150 nan 0.000 0.451 104 I N -0.516 120.002 120.570 -0.086 0.000 2.202 104 I HA -0.259 3.910 4.170 -0.000 0.000 0.242 104 I C 2.976 179.043 176.117 -0.083 0.000 1.091 104 I CA 1.045 62.279 61.300 -0.110 0.000 1.368 104 I CB -0.347 37.542 38.000 -0.185 0.000 1.058 104 I HN 0.361 nan 8.210 nan 0.000 0.410 105 A N 0.712 123.471 122.820 -0.102 0.000 1.940 105 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 105 A C 2.275 179.982 177.584 0.205 0.000 1.176 105 A CA 1.445 53.443 52.037 -0.064 0.000 0.631 105 A CB -0.821 18.122 19.000 -0.094 0.000 0.814 105 A HN 0.410 nan 8.150 nan 0.000 0.446 106 L N 0.072 121.382 121.223 0.145 0.000 2.217 106 L HA -0.110 4.230 4.340 -0.000 0.000 0.211 106 L C 2.674 179.713 176.870 0.281 0.000 1.107 106 L CA 1.430 56.412 54.840 0.238 0.000 0.783 106 L CB -0.155 41.961 42.059 0.095 0.000 0.919 106 L HN 0.615 nan 8.230 nan 0.000 0.442 107 S N -2.228 113.587 115.700 0.192 0.000 2.497 107 S HA -0.096 4.373 4.470 -0.000 0.000 0.221 107 S C 1.811 176.487 174.600 0.126 0.000 1.037 107 S CA 0.235 58.527 58.200 0.153 0.000 0.920 107 S CB -0.471 62.783 63.200 0.090 0.000 0.800 107 S HN 0.637 nan 8.310 nan 0.000 0.505 108 H N 1.099 120.175 119.070 0.010 0.000 2.426 108 H HA 0.048 4.603 4.556 -0.001 0.000 0.298 108 H C 0.653 176.075 175.328 0.156 0.000 1.107 108 H CA 1.726 57.791 56.048 0.029 0.000 1.298 108 H CB -0.373 29.302 29.762 -0.144 0.000 1.377 108 H HN 0.263 nan 8.280 nan 0.000 0.519 109 D N -0.083 120.006 120.400 -0.519 0.000 2.388 109 D HA 0.060 4.699 4.640 -0.000 0.000 0.221 109 D C 1.130 177.438 176.300 0.014 0.000 1.133 109 D CA -0.118 53.761 54.000 -0.201 0.000 0.831 109 D CB 0.407 41.061 40.800 -0.243 0.000 0.962 109 D HN 0.278 nan 8.370 nan 0.000 0.502 110 L N 0.140 121.374 121.223 0.017 0.000 2.201 110 L HA 0.069 4.409 4.340 -0.000 0.000 0.212 110 L C 2.296 179.208 176.870 0.070 0.000 1.105 110 L CA 1.168 56.042 54.840 0.057 0.000 0.775 110 L CB -0.836 41.276 42.059 0.088 0.000 0.913 110 L HN 0.078 nan 8.230 nan 0.000 0.440 111 G N -2.964 105.865 108.800 0.048 0.000 3.088 111 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.212 111 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.212 111 G C 0.220 175.207 174.900 0.144 0.000 1.173 111 G CA -0.284 44.851 45.100 0.058 0.000 0.779 111 G HN 0.355 nan 8.290 nan 0.000 0.540 112 H N 1.590 120.732 119.070 0.121 0.000 2.732 112 H HA 0.215 4.770 4.556 -0.002 0.000 0.351 112 H C -1.660 173.704 175.328 0.060 0.000 1.090 112 H CA -0.944 55.153 56.048 0.081 0.000 1.431 112 H CB 1.698 31.413 29.762 -0.078 0.000 1.447 112 H HN 0.144 nan 8.280 nan 0.000 0.582 113 P HA 0.134 nan 4.420 nan 0.000 0.282 113 P C -2.703 174.522 177.300 -0.124 0.000 1.287 113 P CA -1.751 61.343 63.100 -0.010 0.000 0.792 113 P CB 0.531 32.147 31.700 -0.141 0.000 1.163 114 P HA 0.122 nan 4.420 nan 0.000 0.272 114 P C -0.416 176.532 177.300 -0.587 0.000 1.230 114 P CA 0.094 62.848 63.100 -0.576 0.000 0.788 114 P CB -0.031 31.136 31.700 -0.889 0.000 0.949 115 F N -1.919 117.941 119.950 -0.150 0.000 2.444 115 F HA -0.144 4.382 4.527 -0.001 0.000 0.447 115 F C 1.288 176.967 175.800 -0.202 0.000 1.176 115 F CA -0.157 57.716 58.000 -0.212 0.000 1.427 115 F CB -2.181 36.719 39.000 -0.167 0.000 2.142 115 F HN 0.581 nan 8.300 nan 0.000 0.763 116 G N 2.118 110.858 108.800 -0.101 0.000 2.912 116 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.309 116 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.309 116 G C 0.780 175.614 174.900 -0.111 0.000 0.286 116 G CA 0.959 45.951 45.100 -0.180 0.000 1.199 116 G HN 1.012 nan 8.290 nan 0.000 0.193 117 H N 0.809 119.737 119.070 -0.237 0.000 5.313 117 H HA -0.288 4.268 4.556 -0.000 0.000 0.082 117 H C 2.382 177.688 175.328 -0.037 0.000 0.544 117 H CA 2.753 58.725 56.048 -0.128 0.000 1.119 117 H CB -1.300 28.335 29.762 -0.213 0.000 0.611 117 H HN 0.651 nan 8.280 nan 0.000 0.638 118 T N -0.059 114.515 114.554 0.035 0.000 2.759 118 T HA -0.140 4.209 4.350 -0.000 0.000 0.269 118 T C 2.102 176.855 174.700 0.088 0.000 1.042 118 T CA 1.627 63.745 62.100 0.031 0.000 1.140 118 T CB -0.743 68.111 68.868 -0.023 0.000 0.864 118 T HN 0.661 nan 8.240 nan 0.000 0.455 119 G N 1.190 110.038 108.800 0.080 0.000 2.491 119 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.218 119 G HA3 -0.301 3.658 3.960 -0.000 0.000 0.218 119 G C 1.356 176.273 174.900 0.029 0.000 1.180 119 G CA 1.165 46.302 45.100 0.061 0.000 0.774 119 G HN 0.597 nan 8.290 nan 0.000 0.562 120 E N -0.417 119.844 120.200 0.102 0.000 2.118 120 E HA -0.258 4.092 4.350 -0.000 0.000 0.195 120 E C 2.117 178.832 176.600 0.191 0.000 0.992 120 E CA 1.047 57.578 56.400 0.217 0.000 0.804 120 E CB -0.349 29.495 29.700 0.240 0.000 0.741 120 E HN 0.646 nan 8.360 nan 0.000 0.458 121 H N 0.222 119.339 119.070 0.079 0.000 2.357 121 H HA -0.088 4.468 4.556 -0.002 0.000 0.301 121 H C 2.201 177.536 175.328 0.011 0.000 1.082 121 H CA 1.579 57.660 56.048 0.056 0.000 1.342 121 H CB 0.033 29.819 29.762 0.040 0.000 1.389 121 H HN 0.222 nan 8.280 nan 0.000 0.511 122 V N 0.916 120.874 119.914 0.073 0.000 2.379 122 V HA -0.139 3.981 4.120 -0.000 0.000 0.245 122 V C 2.606 178.612 176.094 -0.147 0.000 1.044 122 V CA 1.144 63.430 62.300 -0.023 0.000 1.036 122 V CB -0.537 31.298 31.823 0.020 0.000 0.664 122 V HN 0.330 nan 8.190 nan 0.000 0.453 123 L N 0.659 121.784 121.223 -0.163 0.000 2.017 123 L HA -0.181 4.158 4.340 -0.000 0.000 0.208 123 L C 2.684 179.461 176.870 -0.155 0.000 1.073 123 L CA 2.316 56.990 54.840 -0.277 0.000 0.745 123 L CB -0.939 40.771 42.059 -0.580 0.000 0.894 123 L HN 0.519 nan 8.230 nan 0.000 0.432 124 N N 0.288 118.980 118.700 -0.013 0.000 2.149 124 N HA -0.203 4.537 4.740 -0.000 0.000 0.188 124 N C 1.825 177.289 175.510 -0.076 0.000 1.019 124 N CA 1.381 54.457 53.050 0.043 0.000 0.857 124 N CB 0.173 38.694 38.487 0.056 0.000 0.997 124 N HN 0.324 nan 8.380 nan 0.000 0.426 125 A N 1.800 124.515 122.820 -0.175 0.000 1.877 125 A HA 0.021 4.341 4.320 -0.000 0.000 0.216 125 A C 1.553 179.037 177.584 -0.167 0.000 1.186 125 A CA 0.563 52.493 52.037 -0.179 0.000 0.620 125 A CB -0.685 18.188 19.000 -0.212 0.000 0.822 125 A HN 0.267 nan 8.150 nan 0.000 0.443 129 D N 0.264 120.639 120.400 -0.042 0.000 2.340 129 D HA 0.124 4.764 4.640 -0.000 0.000 0.217 129 D C 0.156 176.229 176.300 -0.378 0.000 1.081 129 D CA 0.261 54.130 54.000 -0.218 0.000 0.842 129 D CB 0.337 40.946 40.800 -0.317 0.000 0.934 129 D HN 0.771 nan 8.370 nan 0.000 0.511 130 H N -0.850 118.255 119.070 0.058 0.000 2.649 130 H HA 0.337 4.892 4.556 -0.001 0.000 0.258 130 H C 1.223 176.592 175.328 0.068 0.000 1.165 130 H CA 0.322 56.414 56.048 0.073 0.000 1.006 130 H CB 1.442 31.272 29.762 0.113 0.000 1.743 130 H HN 0.195 nan 8.280 nan 0.000 0.609 131 G N 0.508 109.380 108.800 0.121 0.000 2.201 131 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.212 131 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.212 131 G C 0.789 175.741 174.900 0.087 0.000 0.994 131 G CA 0.113 45.266 45.100 0.089 0.000 0.644 131 G HN 0.897 nan 8.290 nan 0.000 0.508 132 G N -0.785 108.085 108.800 0.116 0.000 2.749 132 G HA2 0.248 4.207 3.960 -0.000 0.000 0.242 132 G HA3 0.248 4.207 3.960 -0.000 0.000 0.242 132 G C -0.331 174.681 174.900 0.187 0.000 1.364 132 G CA 0.192 45.360 45.100 0.114 0.000 0.888 132 G HN 1.881 nan 8.290 nan 0.000 0.566 133 F N 0.342 120.293 119.950 0.002 0.000 2.588 133 F HA 0.684 5.209 4.527 -0.004 0.000 0.314 133 F C -0.718 175.083 175.800 0.001 0.000 1.134 133 F CA -0.670 57.335 58.000 0.007 0.000 0.961 133 F CB 2.071 41.078 39.000 0.012 0.000 1.239 133 F HN 0.676 nan 8.300 nan 0.000 0.448 134 E N 4.142 123.905 120.200 -0.728 0.000 2.275 134 E HA 0.145 4.495 4.350 -0.000 0.000 0.270 134 E C -0.217 175.941 176.600 -0.737 0.000 0.882 134 E CA -0.393 55.716 56.400 -0.485 0.000 0.758 134 E CB 1.263 30.807 29.700 -0.260 0.000 1.195 134 E HN 1.008 nan 8.360 nan 0.000 0.419 135 H N 3.070 121.805 119.070 -0.558 0.000 2.457 135 H HA 0.047 4.603 4.556 -0.001 0.000 0.294 135 H C 0.748 175.858 175.328 -0.362 0.000 1.064 135 H CA 2.119 57.853 56.048 -0.523 0.000 1.330 135 H CB 0.180 29.493 29.762 -0.749 0.000 1.395 135 H HN 0.387 nan 8.280 nan 0.000 0.541 136 N N 0.446 118.661 118.700 -0.809 0.000 2.207 136 N HA 0.002 4.742 4.740 -0.000 0.000 0.182 136 N C 2.110 177.442 175.510 -0.297 0.000 1.020 136 N CA 0.820 53.556 53.050 -0.523 0.000 0.858 136 N CB -0.100 38.106 38.487 -0.468 0.000 0.991 136 N HN 0.473 nan 8.380 nan 0.000 0.427 137 A N 0.773 123.409 122.820 -0.307 0.000 1.933 137 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 137 A C 2.165 179.626 177.584 -0.204 0.000 1.175 137 A CA 1.331 53.233 52.037 -0.223 0.000 0.628 137 A CB -0.530 18.334 19.000 -0.226 0.000 0.814 137 A HN 0.176 nan 8.150 nan 0.000 0.444 138 Q N -0.153 119.466 119.800 -0.302 0.000 2.124 138 Q HA -0.027 4.313 4.340 -0.000 0.000 0.202 138 Q C 2.056 178.017 176.000 -0.064 0.000 0.977 138 Q CA 1.967 57.657 55.803 -0.189 0.000 0.850 138 Q CB -0.589 27.996 28.738 -0.254 0.000 0.901 138 Q HN 0.575 nan 8.270 nan 0.000 0.429 139 A N -0.042 122.726 122.820 -0.087 0.000 1.902 139 A HA -0.144 4.175 4.320 -0.000 0.000 0.217 139 A C 2.084 179.667 177.584 -0.000 0.000 1.181 139 A CA 1.426 53.450 52.037 -0.022 0.000 0.623 139 A CB -0.778 18.204 19.000 -0.031 0.000 0.818 139 A HN 0.440 nan 8.150 nan 0.000 0.443 140 L N -1.134 120.071 121.223 -0.030 0.000 2.017 140 L HA -0.181 4.158 4.340 -0.000 0.000 0.208 140 L C 2.787 179.670 176.870 0.022 0.000 1.073 140 L CA 1.812 56.645 54.840 -0.012 0.000 0.745 140 L CB -0.464 41.570 42.059 -0.043 0.000 0.894 140 L HN 0.459 nan 8.230 nan 0.000 0.432 141 R N 0.537 121.047 120.500 0.017 0.000 2.105 141 R HA -0.176 4.164 4.340 -0.000 0.000 0.239 141 R C 2.255 178.633 176.300 0.129 0.000 1.135 141 R CA 1.475 57.615 56.100 0.067 0.000 0.967 141 R CB -0.213 30.114 30.300 0.046 0.000 0.861 141 R HN 0.311 nan 8.270 nan 0.000 0.442 142 I N 0.410 121.039 120.570 0.098 0.000 2.286 142 I HA -0.253 3.916 4.170 -0.000 0.000 0.245 142 I C 1.824 178.008 176.117 0.111 0.000 1.104 142 I CA 1.061 62.426 61.300 0.108 0.000 1.397 142 I CB 0.033 38.089 38.000 0.093 0.000 1.072 142 I HN 0.217 nan 8.210 nan 0.000 0.417 143 L N -0.202 121.079 121.223 0.096 0.000 2.395 143 L HA -0.064 4.275 4.340 -0.000 0.000 0.218 143 L C 2.137 179.069 176.870 0.103 0.000 1.130 143 L CA 1.255 56.154 54.840 0.098 0.000 0.826 143 L CB -0.572 41.531 42.059 0.073 0.000 0.941 143 L HN 0.396 nan 8.230 nan 0.000 0.451 144 T N -6.524 108.100 114.554 0.115 0.000 2.975 144 T HA 0.043 4.392 4.350 -0.000 0.000 0.257 144 T C 1.201 176.030 174.700 0.215 0.000 1.003 144 T CA 0.104 62.283 62.100 0.132 0.000 0.932 144 T CB 0.227 69.156 68.868 0.102 0.000 1.087 144 T HN 0.307 nan 8.240 nan 0.000 0.512 145 H N -0.188 118.930 119.070 0.080 0.000 2.006 145 H HA 0.489 5.045 4.556 -0.000 0.000 0.189 145 H C 1.449 176.824 175.328 0.078 0.000 0.887 145 H CA 0.063 56.160 56.048 0.081 0.000 0.958 145 H CB -0.022 29.780 29.762 0.067 0.000 1.163 145 H HN 0.115 nan 8.280 nan 0.000 0.364 146 L N 0.579 121.838 121.223 0.061 0.000 2.131 146 L HA 0.088 4.428 4.340 -0.000 0.000 0.206 146 L C 0.291 177.158 176.870 -0.005 0.000 1.087 146 L CA 0.713 55.547 54.840 -0.010 0.000 0.767 146 L CB -0.083 42.031 42.059 0.093 0.000 0.917 146 L HN 0.224 nan 8.230 nan 0.000 0.441 147 E N 1.405 121.634 120.200 0.047 0.000 2.223 147 E HA 0.163 4.512 4.350 -0.000 0.000 0.282 147 E C -0.759 175.873 176.600 0.054 0.000 1.046 147 E CA -0.035 56.400 56.400 0.057 0.000 0.857 147 E CB 2.342 32.102 29.700 0.100 0.000 1.055 147 E HN -0.115 nan 8.360 nan 0.000 0.409 148 V N 5.314 125.234 119.914 0.009 0.000 2.325 148 V HA 0.319 4.438 4.120 -0.000 0.000 0.280 148 V C 0.207 176.265 176.094 -0.059 0.000 1.016 148 V CA -0.339 61.949 62.300 -0.019 0.000 0.818 148 V CB 0.550 32.335 31.823 -0.063 0.000 1.019 148 V HN 0.673 nan 8.190 nan 0.000 0.434 149 R N 4.327 124.788 120.500 -0.064 0.000 2.487 149 R HA 0.322 4.662 4.340 -0.000 0.000 0.272 149 R C -1.014 174.931 176.300 -0.591 0.000 0.928 149 R CA 0.031 55.967 56.100 -0.274 0.000 1.077 149 R CB 0.919 31.053 30.300 -0.277 0.000 1.265 149 R HN 0.670 nan 8.270 nan 0.000 0.537 150 Y N 2.177 122.303 120.300 -0.290 0.000 2.338 150 Y HA 0.345 4.895 4.550 -0.001 0.000 0.333 150 Y C -2.250 173.306 175.900 -0.573 0.000 0.968 150 Y CA -3.377 54.452 58.100 -0.452 0.000 1.123 150 Y CB 1.368 39.426 38.460 -0.670 0.000 1.165 150 Y HN -0.113 nan 8.280 nan 0.000 0.452 151 P HA 0.234 nan 4.420 nan 0.000 0.271 151 P C 0.693 177.843 177.300 -0.251 0.000 1.220 151 P CA 0.792 63.768 63.100 -0.207 0.000 0.768 151 P CB 1.419 33.048 31.700 -0.118 0.000 0.848 152 G N 2.120 110.799 108.800 -0.201 0.000 2.316 152 G HA2 -0.088 3.871 3.960 -0.000 0.000 0.203 152 G HA3 -0.088 3.871 3.960 -0.000 0.000 0.203 152 G C -0.270 174.636 174.900 0.010 0.000 0.999 152 G CA 0.032 45.084 45.100 -0.080 0.000 0.649 152 G HN 0.703 nan 8.290 nan 0.000 0.489 153 F N -0.777 119.142 119.950 -0.052 0.000 2.746 153 F HA 0.775 5.302 4.527 -0.001 0.000 0.311 153 F C -0.655 175.076 175.800 -0.116 0.000 1.135 153 F CA -2.000 55.901 58.000 -0.166 0.000 0.954 153 F CB 0.302 38.967 39.000 -0.559 0.000 1.276 153 F HN 0.112 nan 8.300 nan 0.000 0.440 154 R N 1.757 122.368 120.500 0.185 0.000 2.531 154 R HA 0.695 5.035 4.340 -0.000 0.000 0.273 154 R C 0.533 177.001 176.300 0.280 0.000 1.070 154 R CA 0.160 56.337 56.100 0.128 0.000 1.112 154 R CB 0.831 31.148 30.300 0.029 0.000 1.049 154 R HN 1.520 nan 8.270 nan 0.000 0.508 155 G N 0.322 109.254 108.800 0.221 0.000 2.660 155 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.215 155 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.215 155 G C -0.228 174.892 174.900 0.366 0.000 1.345 155 G CA -0.610 44.631 45.100 0.236 0.000 0.877 155 G HN 0.432 nan 8.290 nan 0.000 0.549 156 L N 1.097 122.453 121.223 0.221 0.000 2.693 156 L HA 0.408 4.747 4.340 -0.000 0.000 0.235 156 L C 1.461 178.294 176.870 -0.061 0.000 1.127 156 L CA 0.988 55.940 54.840 0.186 0.000 0.914 156 L CB -0.430 41.720 42.059 0.151 0.000 1.193 156 L HN 0.857 nan 8.230 nan 0.000 0.502 157 N N 0.793 119.358 118.700 -0.224 0.000 2.714 157 N HA -0.197 4.543 4.740 -0.000 0.000 0.253 157 N C -0.392 175.015 175.510 -0.170 0.000 1.024 157 N CA -0.169 52.646 53.050 -0.392 0.000 0.726 157 N CB -0.607 37.330 38.487 -0.917 0.000 0.908 157 N HN 0.233 nan 8.380 nan 0.000 0.542 158 L N 0.493 121.678 121.223 -0.064 0.000 2.456 158 L HA 0.294 4.634 4.340 -0.000 0.000 0.257 158 L C 1.537 178.420 176.870 0.022 0.000 1.162 158 L CA -0.561 54.275 54.840 -0.007 0.000 0.808 158 L CB 0.677 42.749 42.059 0.021 0.000 1.136 158 L HN 0.238 nan 8.230 nan 0.000 0.466 159 T N -2.677 111.923 114.554 0.077 0.000 2.932 159 T HA -0.074 4.276 4.350 -0.000 0.000 0.312 159 T C 0.886 175.676 174.700 0.151 0.000 1.071 159 T CA -0.029 62.155 62.100 0.139 0.000 1.128 159 T CB 0.381 69.403 68.868 0.256 0.000 0.984 159 T HN 0.539 nan 8.240 nan 0.000 0.549 160 Y N 2.186 122.524 120.300 0.063 0.000 2.114 160 Y HA -0.187 4.363 4.550 0.000 0.000 0.282 160 Y C 2.261 178.195 175.900 0.055 0.000 1.165 160 Y CA 2.268 60.396 58.100 0.047 0.000 1.148 160 Y CB -0.435 38.047 38.460 0.037 0.000 0.972 160 Y HN 0.811 nan 8.280 nan 0.000 0.504 161 E N -0.422 119.932 120.200 0.256 0.000 2.160 161 E HA -0.159 4.190 4.350 -0.000 0.000 0.195 161 E C 2.219 178.784 176.600 -0.059 0.000 0.991 161 E CA 1.506 57.978 56.400 0.120 0.000 0.810 161 E CB -0.448 29.359 29.700 0.178 0.000 0.742 161 E HN 0.420 nan 8.360 nan 0.000 0.466 162 V N 0.254 120.146 119.914 -0.037 0.000 2.535 162 V HA -0.128 3.992 4.120 -0.000 0.000 0.246 162 V C 2.089 178.134 176.094 -0.081 0.000 1.045 162 V CA 1.033 63.290 62.300 -0.071 0.000 1.058 162 V CB -0.329 31.484 31.823 -0.017 0.000 0.689 162 V HN 0.223 nan 8.190 nan 0.000 0.461 163 L N 0.042 121.202 121.223 -0.105 0.000 2.027 163 L HA -0.185 4.154 4.340 -0.000 0.000 0.206 163 L C 2.607 179.365 176.870 -0.188 0.000 1.074 163 L CA 2.015 56.777 54.840 -0.130 0.000 0.745 163 L CB -0.635 41.332 42.059 -0.154 0.000 0.898 163 L HN 0.426 nan 8.230 nan 0.000 0.433 164 E N 0.548 120.552 120.200 -0.327 0.000 2.070 164 E HA -0.237 4.112 4.350 -0.000 0.000 0.197 164 E C 2.145 178.673 176.600 -0.119 0.000 1.004 164 E CA 1.499 57.709 56.400 -0.316 0.000 0.805 164 E CB -0.227 29.248 29.700 -0.374 0.000 0.744 164 E HN 0.468 nan 8.360 nan 0.000 0.451 165 G N 1.402 110.149 108.800 -0.087 0.000 2.446 165 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.217 165 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.217 165 G C 1.637 176.581 174.900 0.074 0.000 1.168 165 G CA 1.135 46.218 45.100 -0.028 0.000 0.771 165 G HN 0.304 nan 8.290 nan 0.000 0.551 166 I N 1.257 121.856 120.570 0.049 0.000 2.286 166 I HA -0.172 3.998 4.170 -0.000 0.000 0.248 166 I C 3.185 179.403 176.117 0.169 0.000 1.115 166 I CA 1.055 62.453 61.300 0.164 0.000 1.392 166 I CB -0.131 37.898 38.000 0.048 0.000 1.065 166 I HN 0.266 nan 8.210 nan 0.000 0.418 167 A N 0.285 123.118 122.820 0.023 0.000 2.016 167 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 167 A C 2.300 179.854 177.584 -0.050 0.000 1.162 167 A CA 1.797 53.808 52.037 -0.043 0.000 0.662 167 A CB -0.659 18.295 19.000 -0.076 0.000 0.812 167 A HN 0.500 nan 8.150 nan 0.000 0.450 168 T N -2.285 112.263 114.554 -0.011 0.000 3.034 168 T HA 0.133 4.482 4.350 -0.000 0.000 0.248 168 T C 0.867 175.557 174.700 -0.016 0.000 1.040 168 T CA 0.379 62.469 62.100 -0.017 0.000 1.107 168 T CB -0.804 68.066 68.868 0.004 0.000 0.932 168 T HN 0.734 nan 8.240 nan 0.000 0.474 169 H N 2.023 121.075 119.070 -0.030 0.000 2.948 169 H HA 0.311 4.868 4.556 0.001 0.000 0.351 169 H C 0.269 175.596 175.328 -0.002 0.000 1.079 169 H CA 0.535 56.572 56.048 -0.018 0.000 1.407 169 H CB 0.032 29.778 29.762 -0.027 0.000 1.373 169 H HN 0.485 nan 8.280 nan 0.000 0.605 170 E N 1.128 121.175 120.200 -0.255 0.000 2.266 170 E HA -0.213 4.137 4.350 -0.000 0.000 0.209 170 E C -0.815 175.674 176.600 -0.185 0.000 1.286 170 E CA 0.046 56.286 56.400 -0.266 0.000 0.677 170 E CB -1.220 28.169 29.700 -0.519 0.000 1.173 170 E HN 0.987 nan 8.360 nan 0.000 0.384 184 Q N -0.302 119.520 119.800 0.036 0.000 2.194 184 Q HA 0.571 4.911 4.340 -0.000 0.000 0.245 184 Q C 0.567 176.591 176.000 0.040 0.000 0.993 184 Q CA 0.254 56.081 55.803 0.040 0.000 0.930 184 Q CB 1.975 30.732 28.738 0.031 0.000 1.238 184 Q HN 1.009 nan 8.270 nan 0.000 0.486 185 G N 0.200 109.028 108.800 0.048 0.000 2.756 185 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.678 185 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.678 185 G C -0.343 174.586 174.900 0.047 0.000 1.349 185 G CA -0.408 44.719 45.100 0.045 0.000 0.847 185 G HN 0.730 nan 8.290 nan 0.000 0.548 186 T N -1.210 113.367 114.554 0.038 0.000 2.899 186 T HA 0.610 4.960 4.350 -0.000 0.000 0.284 186 T C 1.881 176.595 174.700 0.023 0.000 1.004 186 T CA -0.038 62.084 62.100 0.036 0.000 1.043 186 T CB 1.570 70.452 68.868 0.022 0.000 1.013 186 T HN 0.937 nan 8.240 nan 0.000 0.518 187 L N 0.376 121.617 121.223 0.031 0.000 2.127 187 L HA -0.131 4.209 4.340 -0.000 0.000 0.211 187 L C 2.709 179.586 176.870 0.011 0.000 1.089 187 L CA 1.637 56.486 54.840 0.014 0.000 0.757 187 L CB -0.472 41.605 42.059 0.030 0.000 0.899 187 L HN 0.794 nan 8.230 nan 0.000 0.434 188 E N -0.003 120.201 120.200 0.007 0.000 2.033 188 E HA -0.258 4.091 4.350 -0.000 0.000 0.199 188 E C 2.188 178.760 176.600 -0.047 0.000 1.011 188 E CA 1.686 58.069 56.400 -0.029 0.000 0.815 188 E CB -0.440 29.218 29.700 -0.070 0.000 0.755 188 E HN 0.519 nan 8.360 nan 0.000 0.451 189 A N 0.724 123.519 122.820 -0.042 0.000 1.892 189 A HA -0.334 3.986 4.320 -0.000 0.000 0.218 189 A C 2.128 179.723 177.584 0.019 0.000 1.188 189 A CA 2.085 54.105 52.037 -0.029 0.000 0.631 189 A CB -0.725 18.282 19.000 0.011 0.000 0.822 189 A HN 0.275 nan 8.150 nan 0.000 0.447 190 Q N -0.797 119.019 119.800 0.027 0.000 2.124 190 Q HA -0.110 4.229 4.340 -0.000 0.000 0.202 190 Q C 2.092 178.103 176.000 0.017 0.000 0.977 190 Q CA 1.534 57.357 55.803 0.034 0.000 0.850 190 Q CB -0.334 28.414 28.738 0.016 0.000 0.901 190 Q HN 0.489 nan 8.270 nan 0.000 0.429 191 V N 0.011 119.922 119.914 -0.006 0.000 2.515 191 V HA -0.207 3.912 4.120 -0.000 0.000 0.250 191 V C 2.125 178.197 176.094 -0.037 0.000 1.058 191 V CA 1.193 63.483 62.300 -0.015 0.000 1.064 191 V CB -0.201 31.612 31.823 -0.016 0.000 0.675 191 V HN 0.197 nan 8.190 nan 0.000 0.461 192 V N 0.274 120.144 119.914 -0.073 0.000 2.295 192 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 192 V C 2.286 178.323 176.094 -0.095 0.000 1.049 192 V CA 2.493 64.700 62.300 -0.154 0.000 1.024 192 V CB -0.650 30.992 31.823 -0.301 0.000 0.648 192 V HN 0.647 nan 8.190 nan 0.000 0.447 193 D N -0.351 120.081 120.400 0.054 0.000 2.144 193 D HA -0.174 4.466 4.640 -0.000 0.000 0.199 193 D C 2.118 178.472 176.300 0.089 0.000 0.984 193 D CA 1.186 55.290 54.000 0.173 0.000 0.834 193 D CB -0.134 40.798 40.800 0.220 0.000 0.955 193 D HN 0.334 nan 8.370 nan 0.000 0.465 194 L N -0.150 121.098 121.223 0.042 0.000 2.046 194 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 194 L C 2.321 179.197 176.870 0.011 0.000 1.077 194 L CA 1.138 55.991 54.840 0.021 0.000 0.747 194 L CB -0.255 41.810 42.059 0.010 0.000 0.896 194 L HN 0.085 nan 8.230 nan 0.000 0.432 195 S N -0.624 115.071 115.700 -0.007 0.000 2.383 195 S HA -0.212 4.258 4.470 -0.000 0.000 0.227 195 S C 1.470 176.065 174.600 -0.008 0.000 1.026 195 S CA 1.348 59.534 58.200 -0.025 0.000 0.981 195 S CB -0.262 62.900 63.200 -0.064 0.000 0.818 195 S HN 0.480 nan 8.310 nan 0.000 0.472 196 D N 1.831 122.248 120.400 0.029 0.000 2.092 196 D HA -0.084 4.556 4.640 -0.000 0.000 0.193 196 D C 2.045 178.531 176.300 0.311 0.000 0.994 196 D CA 1.530 55.633 54.000 0.171 0.000 0.828 196 D CB -0.420 40.553 40.800 0.287 0.000 0.963 196 D HN 0.294 nan 8.370 nan 0.000 0.450 197 A N 0.352 123.303 122.820 0.217 0.000 1.883 197 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 197 A C 2.618 180.254 177.584 0.087 0.000 1.186 197 A CA 1.489 53.623 52.037 0.162 0.000 0.624 197 A CB -0.902 18.117 19.000 0.033 0.000 0.822 197 A HN 0.383 nan 8.150 nan 0.000 0.444 198 I N -0.282 120.280 120.570 -0.014 0.000 2.127 198 I HA -0.341 3.829 4.170 -0.000 0.000 0.241 198 I C 3.036 179.184 176.117 0.053 0.000 1.075 198 I CA 1.266 62.528 61.300 -0.064 0.000 1.334 198 I CB -0.436 37.556 38.000 -0.012 0.000 1.040 198 I HN 0.384 nan 8.210 nan 0.000 0.405 199 A N -0.010 122.830 122.820 0.034 0.000 1.883 199 A HA -0.281 4.039 4.320 -0.000 0.000 0.217 199 A C 2.237 179.886 177.584 0.108 0.000 1.186 199 A CA 1.646 53.649 52.037 -0.057 0.000 0.624 199 A CB -1.232 17.631 19.000 -0.228 0.000 0.822 199 A HN 0.435 nan 8.150 nan 0.000 0.444 200 Y N -0.162 120.271 120.300 0.220 0.000 2.081 200 Y HA -0.237 4.316 4.550 0.006 0.000 0.280 200 Y C 2.966 178.998 175.900 0.221 0.000 1.163 200 Y CA 1.536 59.783 58.100 0.244 0.000 1.135 200 Y CB -0.339 38.227 38.460 0.175 0.000 0.970 200 Y HN 0.379 nan 8.280 nan 0.000 0.498 201 A N 0.005 123.036 122.820 0.351 0.000 1.841 201 A HA -0.258 4.062 4.320 -0.000 0.000 0.216 201 A C 2.397 180.161 177.584 0.301 0.000 1.199 201 A CA 2.247 54.450 52.037 0.276 0.000 0.621 201 A CB -1.548 17.547 19.000 0.158 0.000 0.835 201 A HN 0.490 nan 8.150 nan 0.000 0.445 202 A N -1.190 121.803 122.820 0.288 0.000 1.883 202 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 202 A C 2.035 179.848 177.584 0.382 0.000 1.186 202 A CA 1.823 54.048 52.037 0.314 0.000 0.624 202 A CB -1.075 18.100 19.000 0.291 0.000 0.822 202 A HN 0.784 nan 8.150 nan 0.000 0.444 203 H N -1.392 117.798 119.070 0.199 0.000 2.436 203 H HA -0.067 4.488 4.556 -0.001 0.000 0.294 203 H C 1.325 176.780 175.328 0.212 0.000 1.048 203 H CA 0.607 56.762 56.048 0.178 0.000 1.353 203 H CB 0.165 30.028 29.762 0.168 0.000 1.414 203 H HN 0.449 nan 8.280 nan 0.000 0.536 204 D N 0.977 121.626 120.400 0.414 0.000 2.117 204 D HA -0.138 4.502 4.640 -0.000 0.000 0.198 204 D C 2.304 178.737 176.300 0.222 0.000 0.982 204 D CA 0.276 54.547 54.000 0.452 0.000 0.828 204 D CB -0.214 40.917 40.800 0.553 0.000 0.967 204 D HN 0.272 nan 8.370 nan 0.000 0.464 205 L N 0.830 122.180 121.223 0.212 0.000 1.990 205 L HA -0.260 4.080 4.340 -0.000 0.000 0.213 205 L C 2.041 179.009 176.870 0.163 0.000 1.072 205 L CA 1.906 56.854 54.840 0.180 0.000 0.755 205 L CB -0.326 41.902 42.059 0.282 0.000 0.889 205 L HN -0.028 nan 8.230 nan 0.000 0.432 206 D N -0.416 120.078 120.400 0.157 0.000 2.092 206 D HA -0.249 4.391 4.640 -0.000 0.000 0.193 206 D C 1.734 178.026 176.300 -0.014 0.000 0.994 206 D CA 1.677 55.729 54.000 0.087 0.000 0.828 206 D CB 0.107 40.919 40.800 0.019 0.000 0.963 206 D HN 0.289 nan 8.370 nan 0.000 0.450 207 D N -0.788 119.584 120.400 -0.046 0.000 2.144 207 D HA -0.055 4.585 4.640 -0.000 0.000 0.199 207 D C 2.082 178.146 176.300 -0.393 0.000 0.984 207 D CA 1.217 55.133 54.000 -0.139 0.000 0.834 207 D CB -0.754 40.084 40.800 0.063 0.000 0.955 207 D HN 0.362 nan 8.370 nan 0.000 0.465 208 G N -0.141 108.211 108.800 -0.746 0.000 2.446 208 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.217 208 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.217 208 G C 1.471 175.878 174.900 -0.822 0.000 1.168 208 G CA 0.403 44.644 45.100 -1.433 0.000 0.771 208 G HN 0.197 nan 8.290 nan 0.000 0.551 209 F N 0.387 120.099 119.950 -0.397 0.000 2.128 209 F HA 0.138 4.666 4.527 0.002 0.000 0.295 209 F C 2.755 178.411 175.800 -0.239 0.000 1.100 209 F CA 1.307 59.145 58.000 -0.269 0.000 1.260 209 F CB -0.346 38.554 39.000 -0.167 0.000 1.009 209 F HN -0.020 nan 8.300 nan 0.000 0.476 210 R N 0.430 120.905 120.500 -0.042 0.000 2.127 210 R HA -0.150 4.190 4.340 -0.000 0.000 0.238 210 R C 1.838 178.042 176.300 -0.159 0.000 1.134 210 R CA 1.273 57.317 56.100 -0.094 0.000 0.975 210 R CB -0.414 29.811 30.300 -0.125 0.000 0.865 210 R HN 0.258 nan 8.270 nan 0.000 0.447 211 A N -0.384 122.284 122.820 -0.252 0.000 2.259 211 A HA 0.196 4.516 4.320 -0.000 0.000 0.208 211 A C 1.269 178.743 177.584 -0.182 0.000 1.201 211 A CA 0.700 52.593 52.037 -0.240 0.000 0.824 211 A CB -0.203 18.623 19.000 -0.290 0.000 0.838 211 A HN 0.549 nan 8.150 nan 0.000 0.485 212 G N -0.972 107.706 108.800 -0.202 0.000 2.166 212 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.260 212 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.260 212 G C 0.743 175.435 174.900 -0.347 0.000 0.986 212 G CA 0.716 45.690 45.100 -0.209 0.000 0.683 212 G HN 0.483 nan 8.290 nan 0.000 0.527 213 L N -1.136 119.829 121.223 -0.429 0.000 2.416 213 L HA 0.385 4.725 4.340 -0.000 0.000 0.216 213 L C 1.420 177.973 176.870 -0.529 0.000 1.098 213 L CA 0.396 54.952 54.840 -0.472 0.000 0.840 213 L CB 0.014 41.810 42.059 -0.439 0.000 0.981 213 L HN 0.197 nan 8.230 nan 0.000 0.462 214 L N -0.592 120.154 121.223 -0.795 0.000 2.331 214 L HA 0.403 4.743 4.340 -0.000 0.000 0.275 214 L C -0.532 175.819 176.870 -0.864 0.000 1.022 214 L CA -0.627 53.655 54.840 -0.931 0.000 0.812 214 L CB 1.604 42.729 42.059 -1.556 0.000 1.257 214 L HN 0.015 nan 8.230 nan 0.000 0.435 215 H N 1.940 120.907 119.070 -0.173 0.000 2.469 215 H HA 0.231 4.786 4.556 -0.001 0.000 0.342 215 H C -1.846 173.731 175.328 0.415 0.000 1.115 215 H CA -1.892 54.246 56.048 0.149 0.000 1.204 215 H CB 2.195 32.010 29.762 0.089 0.000 1.492 215 H HN 0.285 nan 8.280 nan 0.000 0.499 216 P HA -0.224 nan 4.420 nan 0.000 0.216 216 P C 1.302 178.732 177.300 0.216 0.000 1.154 216 P CA 1.532 64.824 63.100 0.320 0.000 0.865 216 P CB 0.421 32.210 31.700 0.148 0.000 0.789 217 E N 0.207 120.524 120.200 0.195 0.000 2.265 217 E HA -0.199 4.150 4.350 -0.000 0.000 0.196 217 E C 1.434 178.111 176.600 0.128 0.000 0.996 217 E CA 1.136 57.608 56.400 0.120 0.000 0.832 217 E CB -0.963 28.788 29.700 0.085 0.000 0.756 217 E HN 0.468 nan 8.360 nan 0.000 0.491 218 E N 0.698 121.022 120.200 0.206 0.000 2.435 218 E HA 0.050 4.400 4.350 -0.000 0.000 0.195 218 E C 2.096 178.743 176.600 0.079 0.000 1.029 218 E CA -0.056 56.469 56.400 0.210 0.000 0.865 218 E CB -0.120 29.794 29.700 0.357 0.000 0.833 218 E HN 0.213 nan 8.360 nan 0.000 0.510 219 L N 1.462 122.736 121.223 0.085 0.000 2.129 219 L HA -0.244 4.096 4.340 -0.000 0.000 0.212 219 L C 2.451 179.230 176.870 -0.151 0.000 1.087 219 L CA 1.501 56.304 54.840 -0.062 0.000 0.757 219 L CB -0.462 41.588 42.059 -0.015 0.000 0.896 219 L HN 0.146 nan 8.230 nan 0.000 0.434 220 K N -0.812 119.541 120.400 -0.079 0.000 2.283 220 K HA -0.159 4.161 4.320 -0.000 0.000 0.202 220 K C 1.685 178.226 176.600 -0.098 0.000 1.048 220 K CA 0.969 57.211 56.287 -0.076 0.000 0.948 220 K CB -0.151 32.329 32.500 -0.033 0.000 0.742 220 K HN 0.140 nan 8.250 nan 0.000 0.458 221 E N 1.077 121.201 120.200 -0.126 0.000 2.204 221 E HA -0.087 4.263 4.350 -0.000 0.000 0.195 221 E C 0.344 176.848 176.600 -0.160 0.000 0.990 221 E CA 0.801 57.137 56.400 -0.106 0.000 0.821 221 E CB 0.155 29.841 29.700 -0.023 0.000 0.750 221 E HN 0.252 nan 8.360 nan 0.000 0.477 222 V N 0.822 120.564 119.914 -0.287 0.000 2.409 222 V HA 0.118 4.237 4.120 -0.000 0.000 0.291 222 V C 0.981 176.979 176.094 -0.160 0.000 1.020 222 V CA -0.351 61.818 62.300 -0.217 0.000 0.848 222 V CB 1.839 33.474 31.823 -0.313 0.000 0.990 222 V HN 0.006 nan 8.190 nan 0.000 0.430 223 E N 3.487 123.627 120.200 -0.101 0.000 2.160 223 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 223 E C 1.621 178.143 176.600 -0.130 0.000 0.991 223 E CA 1.706 58.050 56.400 -0.094 0.000 0.810 223 E CB 0.192 29.856 29.700 -0.060 0.000 0.742 223 E HN 0.787 nan 8.360 nan 0.000 0.466 224 L N 0.689 121.819 121.223 -0.155 0.000 2.056 224 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 224 L C 2.063 178.792 176.870 -0.235 0.000 1.078 224 L CA 1.401 56.088 54.840 -0.256 0.000 0.749 224 L CB -0.389 41.474 42.059 -0.326 0.000 0.901 224 L HN 0.174 nan 8.230 nan 0.000 0.433 225 L N -0.801 120.313 121.223 -0.181 0.000 1.994 225 L HA -0.248 4.091 4.340 -0.000 0.000 0.208 225 L C 2.685 179.469 176.870 -0.144 0.000 1.071 225 L CA 1.893 56.639 54.840 -0.157 0.000 0.745 225 L CB -0.625 41.335 42.059 -0.165 0.000 0.892 225 L HN 0.469 nan 8.230 nan 0.000 0.431 226 Q N 0.181 119.898 119.800 -0.138 0.000 2.061 226 Q HA -0.253 4.087 4.340 -0.000 0.000 0.204 226 Q C 2.213 178.152 176.000 -0.103 0.000 0.984 226 Q CA 2.015 57.754 55.803 -0.108 0.000 0.846 226 Q CB -0.163 28.519 28.738 -0.094 0.000 0.902 226 Q HN 0.472 nan 8.270 nan 0.000 0.421 227 A N 0.946 123.696 122.820 -0.117 0.000 1.917 227 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 227 A C 2.088 179.603 177.584 -0.114 0.000 1.182 227 A CA 1.615 53.585 52.037 -0.112 0.000 0.633 227 A CB -0.755 18.164 19.000 -0.135 0.000 0.819 227 A HN 0.495 nan 8.150 nan 0.000 0.448 228 L N -1.280 119.860 121.223 -0.139 0.000 2.109 228 L HA -0.095 4.244 4.340 -0.000 0.000 0.207 228 L C 3.062 179.873 176.870 -0.099 0.000 1.086 228 L CA 0.828 55.594 54.840 -0.124 0.000 0.760 228 L CB -0.510 41.461 42.059 -0.147 0.000 0.910 228 L HN 0.439 nan 8.230 nan 0.000 0.437 229 A N 0.284 123.043 122.820 -0.102 0.000 1.898 229 A HA -0.120 4.199 4.320 -0.000 0.000 0.216 229 A C 2.229 179.769 177.584 -0.074 0.000 1.181 229 A CA 1.202 53.183 52.037 -0.092 0.000 0.620 229 A CB -0.606 18.335 19.000 -0.099 0.000 0.819 229 A HN 0.324 nan 8.150 nan 0.000 0.442 230 L N -0.846 120.336 121.223 -0.069 0.000 2.093 230 L HA -0.181 4.158 4.340 -0.000 0.000 0.208 230 L C 2.632 179.472 176.870 -0.050 0.000 1.085 230 L CA 1.740 56.547 54.840 -0.055 0.000 0.755 230 L CB -0.466 41.562 42.059 -0.052 0.000 0.904 230 L HN 0.599 nan 8.230 nan 0.000 0.435 231 E N 0.241 120.408 120.200 -0.055 0.000 2.077 231 E HA -0.207 4.142 4.350 -0.000 0.000 0.193 231 E C 1.492 178.067 176.600 -0.042 0.000 0.989 231 E CA 1.013 57.385 56.400 -0.046 0.000 0.800 231 E CB 0.253 29.923 29.700 -0.050 0.000 0.746 231 E HN 0.348 nan 8.360 nan 0.000 0.452 232 E N -0.507 119.665 120.200 -0.048 0.000 2.476 232 E HA 0.059 4.409 4.350 -0.000 0.000 0.191 232 E C 0.736 177.311 176.600 -0.042 0.000 1.064 232 E CA 0.626 57.000 56.400 -0.043 0.000 0.866 232 E CB 0.544 30.214 29.700 -0.049 0.000 0.952 232 E HN 0.427 nan 8.360 nan 0.000 0.492 233 G N 2.002 110.777 108.800 -0.042 0.000 2.305 233 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.287 233 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.287 233 G C 0.214 175.088 174.900 -0.044 0.000 1.036 233 G CA 0.153 45.230 45.100 -0.038 0.000 0.887 233 G HN 0.256 nan 8.290 nan 0.000 0.505 234 L N 0.443 121.634 121.223 -0.055 0.000 2.410 234 L HA 0.225 4.565 4.340 -0.000 0.000 0.273 234 L C 0.819 177.651 176.870 -0.062 0.000 1.144 234 L CA -0.520 54.281 54.840 -0.066 0.000 0.863 234 L CB 0.671 42.678 42.059 -0.087 0.000 1.140 234 L HN 0.305 nan 8.230 nan 0.000 0.463 235 D N 4.129 124.494 120.400 -0.057 0.000 2.368 235 D HA 0.108 4.748 4.640 -0.000 0.000 0.268 235 D C 0.061 176.330 176.300 -0.052 0.000 1.298 235 D CA -0.202 53.770 54.000 -0.046 0.000 0.938 235 D CB 0.580 41.357 40.800 -0.038 0.000 1.101 235 D HN 0.101 nan 8.370 nan 0.000 0.509 236 L N 4.149 125.347 121.223 -0.041 0.000 2.682 236 L HA 0.268 4.607 4.340 -0.000 0.000 0.209 236 L C 1.914 178.782 176.870 -0.005 0.000 1.195 236 L CA -0.452 54.370 54.840 -0.031 0.000 0.869 236 L CB -0.643 41.403 42.059 -0.021 0.000 1.599 236 L HN 0.706 nan 8.230 nan 0.000 0.518 237 L N -1.128 120.109 121.223 0.023 0.000 5.241 237 L HA -0.393 3.947 4.340 -0.000 0.000 0.408 237 L C 1.875 178.775 176.870 0.050 0.000 0.834 237 L CA 2.195 57.058 54.840 0.039 0.000 1.936 237 L CB -0.495 41.575 42.059 0.018 0.000 1.221 237 L HN 0.823 nan 8.230 nan 0.000 0.617 238 R N -1.785 118.730 120.500 0.025 0.000 2.412 238 R HA 0.340 4.679 4.340 -0.000 0.000 0.212 238 R C 0.542 176.839 176.300 -0.005 0.000 0.878 238 R CA 0.029 56.142 56.100 0.022 0.000 1.022 238 R CB 0.407 30.711 30.300 0.006 0.000 1.265 238 R HN 0.168 nan 8.270 nan 0.000 0.620 239 L N 3.599 124.792 121.223 -0.049 0.000 4.099 239 L HA -0.140 4.200 4.340 -0.000 0.000 0.491 239 L C -2.248 174.557 176.870 -0.109 0.000 1.089 239 L CA 0.017 54.781 54.840 -0.127 0.000 0.650 239 L CB -0.501 41.398 42.059 -0.267 0.000 1.296 239 L HN 0.045 nan 8.230 nan 0.000 0.750 240 P HA -0.056 nan 4.420 nan 0.000 0.270 240 P C 0.684 177.942 177.300 -0.071 0.000 1.227 240 P CA 0.370 63.438 63.100 -0.054 0.000 0.788 240 P CB 0.412 32.088 31.700 -0.040 0.000 0.926 241 E N 0.609 120.777 120.200 -0.053 0.000 2.070 241 E HA -0.242 4.107 4.350 -0.000 0.000 0.197 241 E C 1.915 178.480 176.600 -0.059 0.000 1.004 241 E CA 0.848 57.215 56.400 -0.056 0.000 0.805 241 E CB -0.911 28.765 29.700 -0.040 0.000 0.744 241 E HN 0.187 nan 8.360 nan 0.000 0.451 242 L N 2.099 123.293 121.223 -0.048 0.000 2.013 242 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 242 L C 1.422 178.257 176.870 -0.058 0.000 1.073 242 L CA 2.463 57.276 54.840 -0.045 0.000 0.753 242 L CB -0.615 41.422 42.059 -0.037 0.000 0.890 242 L HN 0.029 nan 8.230 nan 0.000 0.432 243 D N -1.189 119.167 120.400 -0.073 0.000 2.144 243 D HA -0.175 4.464 4.640 -0.000 0.000 0.199 243 D C 2.276 178.502 176.300 -0.125 0.000 0.984 243 D CA 1.201 55.144 54.000 -0.094 0.000 0.834 243 D CB -0.141 40.597 40.800 -0.103 0.000 0.955 243 D HN 0.316 nan 8.370 nan 0.000 0.465 244 R N 0.629 121.044 120.500 -0.142 0.000 2.070 244 R HA -0.042 4.297 4.340 -0.000 0.000 0.233 244 R C 2.089 178.329 176.300 -0.100 0.000 1.137 244 R CA 1.116 57.113 56.100 -0.171 0.000 0.945 244 R CB 0.057 30.262 30.300 -0.159 0.000 0.845 244 R HN 0.099 nan 8.270 nan 0.000 0.430 245 R N -0.262 120.196 120.500 -0.069 0.000 2.127 245 R HA -0.102 4.238 4.340 -0.000 0.000 0.238 245 R C 2.208 178.490 176.300 -0.031 0.000 1.134 245 R CA 1.440 57.516 56.100 -0.041 0.000 0.975 245 R CB -0.254 30.026 30.300 -0.034 0.000 0.865 245 R HN 0.145 nan 8.270 nan 0.000 0.447 246 V N 1.019 120.906 119.914 -0.045 0.000 2.488 246 V HA -0.163 3.957 4.120 -0.000 0.000 0.246 246 V C 2.041 178.111 176.094 -0.040 0.000 1.046 246 V CA 1.139 63.417 62.300 -0.038 0.000 1.053 246 V CB -0.309 31.487 31.823 -0.045 0.000 0.679 246 V HN 0.212 nan 8.190 nan 0.000 0.458 247 L N 0.033 121.218 121.223 -0.063 0.000 2.027 247 L HA -0.070 4.270 4.340 -0.000 0.000 0.206 247 L C 2.355 179.213 176.870 -0.019 0.000 1.074 247 L CA 1.896 56.697 54.840 -0.066 0.000 0.745 247 L CB -0.542 41.447 42.059 -0.118 0.000 0.898 247 L HN 0.119 nan 8.230 nan 0.000 0.433 248 V N 0.219 120.135 119.914 0.003 0.000 2.295 248 V HA -0.296 3.824 4.120 -0.000 0.000 0.246 248 V C 2.804 178.947 176.094 0.082 0.000 1.049 248 V CA 2.214 64.553 62.300 0.065 0.000 1.024 248 V CB -0.810 31.054 31.823 0.069 0.000 0.648 248 V HN 0.533 nan 8.190 nan 0.000 0.447 249 R N -0.420 120.111 120.500 0.051 0.000 2.081 249 R HA -0.172 4.167 4.340 -0.000 0.000 0.235 249 R C 2.429 178.759 176.300 0.050 0.000 1.131 249 R CA 1.506 57.638 56.100 0.054 0.000 0.960 249 R CB -0.177 30.140 30.300 0.030 0.000 0.856 249 R HN 0.497 nan 8.270 nan 0.000 0.436 250 Q N 0.449 120.264 119.800 0.024 0.000 2.119 250 Q HA -0.167 4.172 4.340 -0.000 0.000 0.201 250 Q C 2.129 178.144 176.000 0.025 0.000 0.972 250 Q CA 0.969 56.780 55.803 0.014 0.000 0.847 250 Q CB -0.243 28.483 28.738 -0.021 0.000 0.903 250 Q HN 0.286 nan 8.270 nan 0.000 0.433 251 L N 0.473 121.714 121.223 0.030 0.000 2.027 251 L HA -0.118 4.222 4.340 -0.000 0.000 0.206 251 L C 2.140 179.108 176.870 0.164 0.000 1.074 251 L CA 1.468 56.333 54.840 0.042 0.000 0.745 251 L CB -0.746 41.373 42.059 0.101 0.000 0.898 251 L HN 0.118 nan 8.230 nan 0.000 0.433 252 L N -0.471 120.864 121.223 0.187 0.000 2.042 252 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 252 L C 2.500 179.469 176.870 0.164 0.000 1.076 252 L CA 1.359 56.326 54.840 0.212 0.000 0.749 252 L CB -1.311 40.841 42.059 0.155 0.000 0.893 252 L HN 0.497 nan 8.230 nan 0.000 0.432 253 G N -1.265 107.600 108.800 0.108 0.000 2.418 253 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.217 253 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.217 253 G C 1.420 176.357 174.900 0.060 0.000 1.158 253 G CA 0.771 45.913 45.100 0.071 0.000 0.771 253 G HN 0.345 nan 8.290 nan 0.000 0.545 254 Y N 0.927 121.174 120.300 -0.089 0.000 2.049 254 Y HA -0.159 4.390 4.550 -0.001 0.000 0.277 254 Y C 2.445 178.253 175.900 -0.152 0.000 1.143 254 Y CA 1.906 59.887 58.100 -0.199 0.000 1.115 254 Y CB -0.491 37.723 38.460 -0.409 0.000 0.975 254 Y HN 0.153 nan 8.280 nan 0.000 0.487 255 F N -0.045 119.954 119.950 0.081 0.000 2.134 255 F HA -0.188 4.339 4.527 0.001 0.000 0.299 255 F C 2.374 178.138 175.800 -0.060 0.000 1.097 255 F CA 1.457 59.444 58.000 -0.022 0.000 1.264 255 F CB -0.921 38.150 39.000 0.119 0.000 1.001 255 F HN 0.074 nan 8.300 nan 0.000 0.479 256 I N -0.808 119.855 120.570 0.154 0.000 2.226 256 I HA -0.298 3.871 4.170 -0.000 0.000 0.245 256 I C 2.325 178.450 176.117 0.013 0.000 1.100 256 I CA 1.540 62.885 61.300 0.075 0.000 1.374 256 I CB -0.735 37.303 38.000 0.062 0.000 1.057 256 I HN 0.098 nan 8.210 nan 0.000 0.413 257 T N 0.495 115.030 114.554 -0.032 0.000 2.746 257 T HA -0.128 4.221 4.350 -0.000 0.000 0.267 257 T C 1.956 176.598 174.700 -0.095 0.000 1.039 257 T CA 1.506 63.565 62.100 -0.067 0.000 1.142 257 T CB -0.203 68.612 68.868 -0.089 0.000 0.866 257 T HN 0.475 nan 8.240 nan 0.000 0.444 258 A N 0.917 123.637 122.820 -0.166 0.000 2.014 258 A HA 0.323 4.643 4.320 -0.000 0.000 0.218 258 A C 2.527 180.084 177.584 -0.044 0.000 1.163 258 A CA 1.518 53.462 52.037 -0.155 0.000 0.652 258 A CB -0.754 18.066 19.000 -0.300 0.000 0.808 258 A HN 0.487 nan 8.150 nan 0.000 0.449 259 A N 0.227 123.046 122.820 -0.002 0.000 1.898 259 A HA -0.024 4.296 4.320 -0.000 0.000 0.216 259 A C 2.083 179.675 177.584 0.014 0.000 1.181 259 A CA 1.373 53.422 52.037 0.021 0.000 0.620 259 A CB -0.530 18.493 19.000 0.037 0.000 0.819 259 A HN 0.471 nan 8.150 nan 0.000 0.442 260 I N -0.345 120.230 120.570 0.008 0.000 2.113 260 I HA -0.226 3.944 4.170 -0.000 0.000 0.238 260 I C 2.530 178.666 176.117 0.032 0.000 1.070 260 I CA 1.429 62.739 61.300 0.017 0.000 1.332 260 I CB -0.424 37.575 38.000 -0.002 0.000 1.044 260 I HN 0.301 nan 8.210 nan 0.000 0.402 261 E N 0.927 121.131 120.200 0.006 0.000 2.077 261 E HA -0.186 4.163 4.350 -0.000 0.000 0.193 261 E C 2.274 178.910 176.600 0.061 0.000 0.989 261 E CA 1.515 57.929 56.400 0.024 0.000 0.800 261 E CB -0.258 29.433 29.700 -0.015 0.000 0.746 261 E HN 0.518 nan 8.360 nan 0.000 0.452 262 A N 0.691 123.526 122.820 0.025 0.000 1.929 262 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 262 A C 2.420 180.008 177.584 0.007 0.000 1.176 262 A CA 1.674 53.722 52.037 0.018 0.000 0.628 262 A CB -0.645 18.360 19.000 0.008 0.000 0.816 262 A HN 0.197 nan 8.150 nan 0.000 0.444 263 T N -1.014 113.545 114.554 0.009 0.000 2.777 263 T HA -0.146 4.203 4.350 -0.000 0.000 0.266 263 T C 1.890 176.560 174.700 -0.050 0.000 1.040 263 T CA 1.336 63.419 62.100 -0.028 0.000 1.141 263 T CB -0.492 68.364 68.868 -0.020 0.000 0.868 263 T HN 0.708 nan 8.240 nan 0.000 0.444 264 H N 1.558 120.588 119.070 -0.067 0.000 2.352 264 H HA -0.018 4.537 4.556 -0.001 0.000 0.299 264 H C 2.536 177.823 175.328 -0.068 0.000 1.097 264 H CA 1.493 57.503 56.048 -0.062 0.000 1.311 264 H CB -0.114 29.637 29.762 -0.018 0.000 1.377 264 H HN 0.234 nan 8.280 nan 0.000 0.504 265 R N 0.352 120.796 120.500 -0.093 0.000 2.070 265 R HA -0.094 4.246 4.340 -0.000 0.000 0.233 265 R C 2.747 178.946 176.300 -0.167 0.000 1.137 265 R CA 1.164 57.190 56.100 -0.123 0.000 0.945 265 R CB -0.017 30.279 30.300 -0.006 0.000 0.845 265 R HN 0.309 nan 8.270 nan 0.000 0.430 266 R N -0.040 120.381 120.500 -0.131 0.000 2.081 266 R HA -0.101 4.239 4.340 -0.000 0.000 0.235 266 R C 2.249 178.418 176.300 -0.218 0.000 1.131 266 R CA 1.415 57.434 56.100 -0.136 0.000 0.960 266 R CB -0.464 29.773 30.300 -0.105 0.000 0.856 266 R HN 0.179 nan 8.270 nan 0.000 0.436 267 V N 1.316 121.053 119.914 -0.295 0.000 2.427 267 V HA -0.184 3.935 4.120 -0.000 0.000 0.248 267 V C 2.304 178.205 176.094 -0.322 0.000 1.051 267 V CA 1.613 63.674 62.300 -0.398 0.000 1.048 267 V CB -0.315 31.148 31.823 -0.600 0.000 0.666 267 V HN 0.234 nan 8.190 nan 0.000 0.456 268 E N 0.470 120.477 120.200 -0.323 0.000 2.028 268 E HA -0.137 4.213 4.350 -0.000 0.000 0.190 268 E C 2.535 179.047 176.600 -0.147 0.000 0.984 268 E CA 1.505 57.762 56.400 -0.238 0.000 0.800 268 E CB -0.511 28.993 29.700 -0.326 0.000 0.758 268 E HN 0.741 nan 8.360 nan 0.000 0.448 269 E N 1.142 121.259 120.200 -0.138 0.000 2.160 269 E HA -0.120 4.229 4.350 -0.000 0.000 0.195 269 E C 1.994 178.562 176.600 -0.053 0.000 0.991 269 E CA 1.621 57.976 56.400 -0.074 0.000 0.810 269 E CB -0.673 28.993 29.700 -0.057 0.000 0.742 269 E HN 0.279 nan 8.360 nan 0.000 0.466 270 A N -0.994 121.768 122.820 -0.096 0.000 1.970 270 A HA 0.409 4.729 4.320 -0.000 0.000 0.216 270 A C 2.580 180.137 177.584 -0.044 0.000 1.170 270 A CA 1.652 53.645 52.037 -0.074 0.000 0.645 270 A CB -0.363 18.440 19.000 -0.328 0.000 0.816 270 A HN 1.657 nan 8.150 nan 0.000 0.447 271 G N -1.035 107.720 108.800 -0.075 0.000 2.136 271 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.242 271 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.242 271 G C 0.384 175.275 174.900 -0.014 0.000 0.989 271 G CA 0.521 45.603 45.100 -0.030 0.000 0.682 271 G HN 1.735 nan 8.290 nan 0.000 0.522 272 V N -3.119 116.760 119.914 -0.058 0.000 2.572 272 V HA 0.782 4.902 4.120 -0.000 0.000 0.291 272 V C 0.591 176.732 176.094 0.078 0.000 1.039 272 V CA 1.111 63.404 62.300 -0.013 0.000 1.055 272 V CB 1.110 32.881 31.823 -0.087 0.000 0.969 272 V HN 1.435 nan 8.190 nan 0.000 0.482 273 Q N 2.396 122.251 119.800 0.092 0.000 2.141 273 Q HA 0.621 4.961 4.340 -0.000 0.000 0.248 273 Q C 0.441 176.498 176.000 0.095 0.000 0.834 273 Q CA 0.384 56.255 55.803 0.113 0.000 1.096 273 Q CB 0.585 29.363 28.738 0.065 0.000 1.189 273 Q HN 1.525 nan 8.270 nan 0.000 0.471 274 S N -2.260 113.511 115.700 0.119 0.000 2.565 274 S HA 0.659 5.129 4.470 -0.000 0.000 0.274 274 S C 0.663 175.329 174.600 0.109 0.000 1.144 274 S CA 0.484 58.738 58.200 0.090 0.000 0.849 274 S CB 1.107 64.341 63.200 0.057 0.000 1.103 274 S HN 0.974 nan 8.310 nan 0.000 0.455 275 A N 2.230 125.108 122.820 0.096 0.000 1.972 275 A HA 0.018 4.338 4.320 -0.000 0.000 0.219 275 A C 1.819 179.450 177.584 0.079 0.000 1.169 275 A CA 1.497 53.593 52.037 0.097 0.000 0.635 275 A CB -0.660 18.392 19.000 0.088 0.000 0.810 275 A HN 0.809 nan 8.150 nan 0.000 0.446 276 E N -0.053 120.186 120.200 0.066 0.000 2.150 276 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 276 E C 2.301 178.938 176.600 0.061 0.000 0.985 276 E CA 1.127 57.561 56.400 0.057 0.000 0.814 276 E CB -0.394 29.330 29.700 0.040 0.000 0.752 276 E HN 0.572 nan 8.360 nan 0.000 0.466 277 A N 0.617 123.476 122.820 0.064 0.000 1.898 277 A HA -0.115 4.204 4.320 -0.000 0.000 0.216 277 A C 2.568 180.197 177.584 0.075 0.000 1.181 277 A CA 1.290 53.369 52.037 0.070 0.000 0.620 277 A CB -0.535 18.502 19.000 0.062 0.000 0.819 277 A HN 0.131 nan 8.150 nan 0.000 0.442 278 V N 0.093 120.038 119.914 0.051 0.000 2.237 278 V HA -0.286 3.834 4.120 -0.000 0.000 0.245 278 V C 2.546 178.683 176.094 0.072 0.000 1.046 278 V CA 2.203 64.521 62.300 0.030 0.000 1.007 278 V CB -0.927 30.906 31.823 0.017 0.000 0.638 278 V HN 0.521 nan 8.190 nan 0.000 0.445 279 R N -0.085 120.457 120.500 0.070 0.000 2.153 279 R HA -0.188 4.152 4.340 -0.000 0.000 0.252 279 R C 2.312 178.656 176.300 0.073 0.000 1.158 279 R CA 1.520 57.664 56.100 0.073 0.000 0.975 279 R CB -0.266 30.081 30.300 0.078 0.000 0.871 279 R HN 0.415 nan 8.270 nan 0.000 0.450 280 R N -0.546 120.002 120.500 0.079 0.000 2.290 280 R HA 0.070 4.410 4.340 -0.000 0.000 0.197 280 R C 0.301 176.651 176.300 0.083 0.000 0.913 280 R CA 0.007 56.148 56.100 0.067 0.000 1.040 280 R CB -0.584 29.747 30.300 0.052 0.000 0.992 280 R HN 0.280 nan 8.270 nan 0.000 0.500 281 H N 3.326 122.399 119.070 0.004 0.000 3.016 281 H HA -0.007 4.548 4.556 -0.001 0.000 0.345 281 H C -1.156 174.169 175.328 -0.005 0.000 1.066 281 H CA -0.556 55.489 56.048 -0.005 0.000 1.390 281 H CB 0.940 30.694 29.762 -0.014 0.000 1.344 281 H HN -0.125 nan 8.280 nan 0.000 0.605 282 P HA -0.044 nan 4.420 nan 0.000 0.234 282 P C -0.782 176.451 177.300 -0.113 0.000 1.167 282 P CA 0.800 63.762 63.100 -0.230 0.000 0.763 282 P CB 0.402 31.930 31.700 -0.286 0.000 0.835 283 S N -0.990 114.699 115.700 -0.017 0.000 2.625 283 S HA 0.581 5.050 4.470 -0.000 0.000 0.271 283 S C -0.482 174.220 174.600 0.170 0.000 1.161 283 S CA -1.212 57.036 58.200 0.079 0.000 0.820 283 S CB 1.826 65.065 63.200 0.066 0.000 1.137 283 S HN 0.111 nan 8.310 nan 0.000 0.470 284 R N 0.394 120.946 120.500 0.087 0.000 2.390 284 R HA 0.578 4.918 4.340 -0.000 0.000 0.291 284 R C 0.221 176.537 176.300 0.027 0.000 1.070 284 R CA -0.775 55.358 56.100 0.055 0.000 1.014 284 R CB 0.144 30.461 30.300 0.028 0.000 1.007 284 R HN 0.687 nan 8.270 nan 0.000 0.466 285 L N 1.829 123.034 121.223 -0.031 0.000 2.162 285 L HA 0.163 4.503 4.340 -0.000 0.000 0.205 285 L C 1.100 177.929 176.870 -0.068 0.000 1.086 285 L CA 0.407 55.192 54.840 -0.092 0.000 0.778 285 L CB -0.396 41.542 42.059 -0.203 0.000 0.928 285 L HN 0.845 nan 8.230 nan 0.000 0.446 286 A N 0.977 123.769 122.820 -0.046 0.000 2.537 286 A HA 0.473 4.793 4.320 -0.000 0.000 0.260 286 A C 0.237 177.815 177.584 -0.010 0.000 1.082 286 A CA 0.642 52.663 52.037 -0.027 0.000 0.765 286 A CB -0.339 18.655 19.000 -0.011 0.000 1.019 286 A HN 0.343 nan 8.150 nan 0.000 0.507 287 A N 2.045 124.861 122.820 -0.006 0.000 2.593 287 A HA 0.691 5.011 4.320 -0.000 0.000 0.290 287 A C 0.211 177.806 177.584 0.019 0.000 1.126 287 A CA -0.525 51.517 52.037 0.007 0.000 0.695 287 A CB 0.537 19.539 19.000 0.004 0.000 1.290 287 A HN 0.784 nan 8.150 nan 0.000 0.414 288 L N 0.784 122.028 121.223 0.035 0.000 2.609 288 L HA 0.463 4.803 4.340 -0.000 0.000 0.230 288 L C 1.086 177.982 176.870 0.042 0.000 1.087 288 L CA 0.813 55.687 54.840 0.056 0.000 0.874 288 L CB 0.252 42.375 42.059 0.107 0.000 1.114 288 L HN 1.399 nan 8.230 nan 0.000 0.488 289 G N 0.690 109.511 108.800 0.036 0.000 2.719 289 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.686 289 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.686 289 G C 0.217 175.148 174.900 0.052 0.000 1.201 289 G CA -0.059 45.060 45.100 0.031 0.000 0.768 289 G HN 0.202 nan 8.290 nan 0.000 0.629 290 E N -0.078 120.150 120.200 0.046 0.000 2.086 290 E HA -0.269 4.080 4.350 -0.000 0.000 0.200 290 E C 2.140 178.788 176.600 0.080 0.000 1.012 290 E CA 2.032 58.465 56.400 0.056 0.000 0.812 290 E CB 0.015 29.740 29.700 0.043 0.000 0.743 290 E HN 0.519 nan 8.360 nan 0.000 0.453 291 E N 0.094 120.346 120.200 0.085 0.000 2.106 291 E HA -0.094 4.255 4.350 -0.000 0.000 0.192 291 E C 1.649 178.370 176.600 0.202 0.000 0.984 291 E CA 1.341 57.814 56.400 0.121 0.000 0.806 291 E CB -0.313 29.454 29.700 0.112 0.000 0.750 291 E HN 0.325 nan 8.360 nan 0.000 0.458 292 A N 0.575 123.520 122.820 0.207 0.000 1.898 292 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 292 A C 2.170 179.990 177.584 0.394 0.000 1.181 292 A CA 1.759 54.017 52.037 0.369 0.000 0.620 292 A CB -0.649 18.487 19.000 0.227 0.000 0.819 292 A HN 0.256 nan 8.150 nan 0.000 0.442 293 E N 0.469 120.798 120.200 0.215 0.000 2.160 293 E HA -0.202 4.148 4.350 -0.000 0.000 0.195 293 E C 1.907 178.597 176.600 0.150 0.000 0.991 293 E CA 1.790 58.278 56.400 0.147 0.000 0.810 293 E CB -0.248 29.504 29.700 0.088 0.000 0.742 293 E HN 0.648 nan 8.360 nan 0.000 0.466 294 K N -0.461 120.033 120.400 0.157 0.000 2.025 294 K HA -0.068 4.252 4.320 -0.000 0.000 0.207 294 K C 2.055 178.752 176.600 0.162 0.000 1.049 294 K CA 1.192 57.557 56.287 0.129 0.000 0.933 294 K CB -0.289 32.274 32.500 0.105 0.000 0.714 294 K HN 0.137 nan 8.250 nan 0.000 0.438 295 A N 1.656 124.617 122.820 0.236 0.000 1.851 295 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 295 A C 2.107 179.892 177.584 0.335 0.000 1.195 295 A CA 1.648 53.841 52.037 0.259 0.000 0.622 295 A CB -0.897 18.267 19.000 0.275 0.000 0.831 295 A HN 0.412 nan 8.150 nan 0.000 0.444 296 L N 0.029 121.514 121.223 0.436 0.000 2.043 296 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 296 L C 2.325 179.251 176.870 0.093 0.000 1.075 296 L CA 2.776 57.699 54.840 0.139 0.000 0.752 296 L CB -0.572 41.354 42.059 -0.221 0.000 0.891 296 L HN 0.502 nan 8.230 nan 0.000 0.432 297 K N -0.983 119.476 120.400 0.097 0.000 2.097 297 K HA -0.154 4.166 4.320 -0.000 0.000 0.206 297 K C 1.985 178.640 176.600 0.091 0.000 1.049 297 K CA 1.257 57.588 56.287 0.073 0.000 0.933 297 K CB -0.216 32.323 32.500 0.066 0.000 0.717 297 K HN 0.468 nan 8.250 nan 0.000 0.442 298 A N 1.123 124.008 122.820 0.109 0.000 1.873 298 A HA -0.144 4.176 4.320 -0.000 0.000 0.215 298 A C 2.008 179.679 177.584 0.144 0.000 1.186 298 A CA 1.219 53.320 52.037 0.106 0.000 0.616 298 A CB -0.603 18.445 19.000 0.080 0.000 0.823 298 A HN 0.364 nan 8.150 nan 0.000 0.442 299 L N -0.582 120.740 121.223 0.164 0.000 2.083 299 L HA -0.083 4.256 4.340 -0.000 0.000 0.209 299 L C 2.148 179.151 176.870 0.222 0.000 1.083 299 L CA 2.268 57.239 54.840 0.218 0.000 0.752 299 L CB -0.600 41.604 42.059 0.241 0.000 0.899 299 L HN 0.264 nan 8.230 nan 0.000 0.433 300 K N -0.400 120.085 120.400 0.141 0.000 2.026 300 K HA -0.039 4.281 4.320 -0.000 0.000 0.208 300 K C 2.118 178.770 176.600 0.085 0.000 1.048 300 K CA 1.586 57.932 56.287 0.099 0.000 0.929 300 K CB -0.671 31.862 32.500 0.054 0.000 0.713 300 K HN 0.420 nan 8.250 nan 0.000 0.439 301 A N -0.005 122.873 122.820 0.096 0.000 1.908 301 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 301 A C 2.174 179.809 177.584 0.084 0.000 1.181 301 A CA 1.643 53.727 52.037 0.078 0.000 0.627 301 A CB -0.895 18.155 19.000 0.084 0.000 0.818 301 A HN 0.448 nan 8.150 nan 0.000 0.445 302 F N 0.641 120.588 119.950 -0.005 0.000 2.069 302 F HA -0.021 4.507 4.527 0.001 0.000 0.298 302 F C 0.961 176.723 175.800 -0.064 0.000 1.113 302 F CA 0.852 58.842 58.000 -0.017 0.000 1.214 302 F CB -0.257 38.746 39.000 0.005 0.000 0.978 302 F HN 0.110 nan 8.300 nan 0.000 0.474 306 R N -0.725 119.560 120.500 -0.357 0.000 2.236 306 R HA 0.299 4.639 4.340 -0.000 0.000 0.208 306 R C 1.520 177.724 176.300 -0.161 0.000 1.036 306 R CA 1.103 57.003 56.100 -0.334 0.000 1.001 306 R CB -0.197 29.732 30.300 -0.617 0.000 0.896 306 R HN 0.484 nan 8.270 nan 0.000 0.464 307 F N -0.728 118.960 119.950 -0.437 0.000 2.539 307 F HA 0.062 4.590 4.527 0.000 0.000 0.277 307 F C 1.513 177.238 175.800 -0.126 0.000 0.925 307 F CA 0.045 57.852 58.000 -0.322 0.000 1.193 307 F CB -0.789 37.924 39.000 -0.478 0.000 1.128 307 F HN -0.207 nan 8.300 nan 0.000 0.740 308 Y N 1.277 121.492 120.300 -0.143 0.000 2.207 308 Y HA -0.088 4.457 4.550 -0.008 0.000 0.287 308 Y C 2.317 178.131 175.900 -0.144 0.000 1.156 308 Y CA 1.196 59.136 58.100 -0.265 0.000 1.182 308 Y CB -1.101 37.223 38.460 -0.225 0.000 0.979 308 Y HN 0.022 nan 8.280 nan 0.000 0.521 309 R N -0.166 120.363 120.500 0.049 0.000 2.310 309 R HA -0.024 4.316 4.340 -0.000 0.000 0.202 309 R C 0.341 176.660 176.300 0.032 0.000 0.933 309 R CA -0.027 56.082 56.100 0.015 0.000 1.054 309 R CB -0.667 29.623 30.300 -0.017 0.000 0.985 309 R HN 0.355 nan 8.270 nan 0.000 0.489 310 H N 2.294 121.355 119.070 -0.015 0.000 2.972 310 H HA 0.010 4.566 4.556 -0.000 0.000 0.343 310 H C -1.655 173.675 175.328 0.003 0.000 1.054 310 H CA -1.287 54.767 56.048 0.009 0.000 1.412 310 H CB 1.534 31.338 29.762 0.070 0.000 1.385 310 H HN -0.186 nan 8.280 nan 0.000 0.600 311 P HA -0.133 nan 4.420 nan 0.000 0.216 311 P C 1.118 178.533 177.300 0.192 0.000 1.150 311 P CA 1.469 64.607 63.100 0.062 0.000 0.843 311 P CB 0.275 31.946 31.700 -0.048 0.000 0.787 312 E N -0.818 119.633 120.200 0.418 0.000 2.150 312 E HA -0.093 4.256 4.350 -0.000 0.000 0.193 312 E C 1.904 178.557 176.600 0.089 0.000 0.985 312 E CA 0.892 57.408 56.400 0.194 0.000 0.814 312 E CB -0.361 29.418 29.700 0.131 0.000 0.752 312 E HN 0.080 nan 8.360 nan 0.000 0.466 313 V N 1.505 121.473 119.914 0.089 0.000 2.307 313 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 313 V C 2.327 178.390 176.094 -0.050 0.000 1.045 313 V CA 1.350 63.625 62.300 -0.041 0.000 1.024 313 V CB -0.400 31.372 31.823 -0.086 0.000 0.651 313 V HN 0.266 nan 8.190 nan 0.000 0.449 314 L N 0.485 121.705 121.223 -0.006 0.000 2.131 314 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 314 L C 2.763 179.617 176.870 -0.026 0.000 1.092 314 L CA 1.931 56.754 54.840 -0.029 0.000 0.759 314 L CB -0.690 41.359 42.059 -0.017 0.000 0.903 314 L HN 0.454 nan 8.230 nan 0.000 0.435 315 R N -0.302 120.198 120.500 0.001 0.000 2.148 315 R HA -0.115 4.225 4.340 -0.000 0.000 0.227 315 R C 1.695 177.999 176.300 0.006 0.000 1.103 315 R CA 0.980 57.081 56.100 0.002 0.000 0.983 315 R CB -0.234 30.077 30.300 0.019 0.000 0.874 315 R HN 0.254 nan 8.270 nan 0.000 0.451 316 E N 1.189 121.390 120.200 0.002 0.000 2.112 316 E HA -0.104 4.246 4.350 -0.000 0.000 0.190 316 E C 1.910 178.480 176.600 -0.049 0.000 0.979 316 E CA 0.688 57.109 56.400 0.035 0.000 0.814 316 E CB -0.307 29.366 29.700 -0.046 0.000 0.762 316 E HN 0.400 nan 8.360 nan 0.000 0.460 317 R N 1.317 121.754 120.500 -0.105 0.000 2.096 317 R HA -0.107 4.232 4.340 -0.000 0.000 0.235 317 R C 2.365 178.602 176.300 -0.104 0.000 1.127 317 R CA 1.336 57.358 56.100 -0.131 0.000 0.968 317 R CB -0.080 30.145 30.300 -0.126 0.000 0.861 317 R HN 0.022 nan 8.270 nan 0.000 0.440 318 R N 0.904 121.360 120.500 -0.073 0.000 2.081 318 R HA -0.135 4.204 4.340 -0.000 0.000 0.235 318 R C 1.883 178.130 176.300 -0.088 0.000 1.131 318 R CA 1.779 57.839 56.100 -0.067 0.000 0.960 318 R CB -0.050 30.221 30.300 -0.049 0.000 0.856 318 R HN 0.190 nan 8.270 nan 0.000 0.436 319 K N 0.044 120.399 120.400 -0.076 0.000 2.057 319 K HA -0.084 4.235 4.320 -0.000 0.000 0.207 319 K C 2.163 178.646 176.600 -0.195 0.000 1.049 319 K CA 1.318 57.535 56.287 -0.117 0.000 0.931 319 K CB -0.179 32.297 32.500 -0.040 0.000 0.714 319 K HN 0.238 nan 8.250 nan 0.000 0.440 320 A N 1.946 124.626 122.820 -0.234 0.000 1.940 320 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 320 A C 1.936 179.347 177.584 -0.289 0.000 1.176 320 A CA 1.589 53.256 52.037 -0.616 0.000 0.631 320 A CB -0.388 18.190 19.000 -0.702 0.000 0.814 320 A HN 0.338 nan 8.150 nan 0.000 0.446 321 E N -0.262 119.849 120.200 -0.148 0.000 2.047 321 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 321 E C 2.314 178.872 176.600 -0.069 0.000 0.987 321 E CA 0.909 57.275 56.400 -0.058 0.000 0.799 321 E CB -0.316 29.363 29.700 -0.035 0.000 0.752 321 E HN 0.611 nan 8.360 nan 0.000 0.449 322 A N 1.044 123.788 122.820 -0.127 0.000 1.972 322 A HA -0.141 4.178 4.320 -0.000 0.000 0.219 322 A C 2.463 179.898 177.584 -0.248 0.000 1.169 322 A CA 1.080 53.035 52.037 -0.136 0.000 0.635 322 A CB -0.528 18.376 19.000 -0.160 0.000 0.810 322 A HN 0.108 nan 8.150 nan 0.000 0.446 323 V N -0.024 119.649 119.914 -0.402 0.000 2.323 323 V HA -0.209 3.910 4.120 -0.000 0.000 0.244 323 V C 2.527 178.639 176.094 0.029 0.000 1.041 323 V CA 1.820 63.832 62.300 -0.480 0.000 1.025 323 V CB -0.641 31.000 31.823 -0.303 0.000 0.656 323 V HN 0.581 nan 8.190 nan 0.000 0.451 324 L N -0.333 120.959 121.223 0.115 0.000 2.131 324 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 324 L C 2.547 179.514 176.870 0.161 0.000 1.092 324 L CA 1.579 56.524 54.840 0.175 0.000 0.759 324 L CB -0.606 41.549 42.059 0.159 0.000 0.903 324 L HN 0.437 nan 8.230 nan 0.000 0.435 325 E N -0.051 120.215 120.200 0.111 0.000 2.107 325 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 325 E C 2.216 178.930 176.600 0.190 0.000 0.982 325 E CA 0.965 57.442 56.400 0.129 0.000 0.809 325 E CB -0.192 29.552 29.700 0.072 0.000 0.756 325 E HN 0.530 nan 8.360 nan 0.000 0.459 326 G N 0.829 109.762 108.800 0.222 0.000 2.448 326 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.218 326 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.218 326 G C 1.474 176.448 174.900 0.123 0.000 1.135 326 G CA 0.158 45.412 45.100 0.256 0.000 0.784 326 G HN 0.023 nan 8.290 nan 0.000 0.543 327 L N -0.368 120.945 121.223 0.150 0.000 2.023 327 L HA 0.229 4.568 4.340 -0.000 0.000 0.205 327 L C 2.411 179.256 176.870 -0.041 0.000 1.073 327 L CA 1.044 55.859 54.840 -0.041 0.000 0.745 327 L CB -1.148 40.994 42.059 0.138 0.000 0.900 327 L HN 0.253 nan 8.230 nan 0.000 0.435 328 F N 0.217 120.188 119.950 0.035 0.000 2.095 328 F HA -0.283 4.247 4.527 0.005 0.000 0.298 328 F C 2.345 178.181 175.800 0.060 0.000 1.104 328 F CA 1.699 59.744 58.000 0.076 0.000 1.232 328 F CB -0.297 38.737 39.000 0.055 0.000 0.987 328 F HN 0.085 nan 8.300 nan 0.000 0.475 329 A N 0.044 122.993 122.820 0.215 0.000 1.902 329 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 329 A C 2.365 179.979 177.584 0.049 0.000 1.181 329 A CA 1.727 53.846 52.037 0.137 0.000 0.623 329 A CB -1.522 17.574 19.000 0.160 0.000 0.818 329 A HN 0.489 nan 8.150 nan 0.000 0.443 330 A N -1.213 121.596 122.820 -0.017 0.000 1.873 330 A HA -0.044 4.276 4.320 -0.000 0.000 0.215 330 A C 2.079 179.714 177.584 0.086 0.000 1.186 330 A CA 1.600 53.635 52.037 -0.004 0.000 0.616 330 A CB -0.782 18.072 19.000 -0.244 0.000 0.823 330 A HN 0.547 nan 8.150 nan 0.000 0.442 331 Y N -0.314 120.009 120.300 0.038 0.000 2.314 331 Y HA -0.052 4.498 4.550 -0.000 0.000 0.293 331 Y C 2.948 178.780 175.900 -0.113 0.000 1.129 331 Y CA 1.091 59.187 58.100 -0.006 0.000 1.201 331 Y CB -1.274 37.192 38.460 0.010 0.000 0.999 331 Y HN 0.337 nan 8.280 nan 0.000 0.541 332 T N -0.368 114.124 114.554 -0.103 0.000 2.985 332 T HA -0.052 4.298 4.350 -0.000 0.000 0.266 332 T C 1.954 176.571 174.700 -0.138 0.000 1.076 332 T CA 1.057 63.025 62.100 -0.220 0.000 1.135 332 T CB 0.076 68.673 68.868 -0.451 0.000 0.890 332 T HN 0.294 nan 8.240 nan 0.000 0.480 333 R N -1.035 119.396 120.500 -0.115 0.000 2.156 333 R HA 0.138 4.478 4.340 -0.000 0.000 0.207 333 R C -0.044 175.900 176.300 -0.593 0.000 1.040 333 R CA 0.611 56.514 56.100 -0.327 0.000 1.013 333 R CB 0.309 30.414 30.300 -0.325 0.000 0.931 333 R HN 0.374 nan 8.270 nan 0.000 0.465 334 Y N -0.266 120.043 120.300 0.016 0.000 2.658 334 Y HA 0.308 4.857 4.550 -0.001 0.000 0.362 334 Y C -2.034 173.903 175.900 0.061 0.000 1.017 334 Y CA -2.627 55.492 58.100 0.032 0.000 1.134 334 Y CB 1.313 39.792 38.460 0.032 0.000 1.144 334 Y HN -0.048 nan 8.280 nan 0.000 0.655 335 P HA -0.219 nan 4.420 nan 0.000 0.221 335 P C 1.316 178.644 177.300 0.047 0.000 1.145 335 P CA 1.459 64.588 63.100 0.048 0.000 0.795 335 P CB 0.351 32.044 31.700 -0.013 0.000 0.775 336 E N -0.577 119.673 120.200 0.083 0.000 2.478 336 E HA -0.104 4.245 4.350 -0.000 0.000 0.198 336 E C 1.238 177.883 176.600 0.074 0.000 1.046 336 E CA 0.783 57.221 56.400 0.062 0.000 0.870 336 E CB -0.742 29.003 29.700 0.075 0.000 0.818 336 E HN 0.212 nan 8.360 nan 0.000 0.527 337 L N 0.801 122.108 121.223 0.139 0.000 2.446 337 L HA 0.208 4.548 4.340 -0.000 0.000 0.219 337 L C 1.186 178.116 176.870 0.099 0.000 1.116 337 L CA 0.393 55.337 54.840 0.172 0.000 0.844 337 L CB -0.522 41.719 42.059 0.305 0.000 0.970 337 L HN 0.094 nan 8.230 nan 0.000 0.457 338 L N 0.516 121.711 121.223 -0.046 0.000 2.467 338 L HA 0.136 4.476 4.340 -0.000 0.000 0.270 338 L C -1.790 174.934 176.870 -0.244 0.000 1.205 338 L CA -1.659 52.990 54.840 -0.318 0.000 0.828 338 L CB -0.108 41.733 42.059 -0.364 0.000 1.101 338 L HN -0.068 nan 8.230 nan 0.000 0.479 339 P HA 0.079 nan 4.420 nan 0.000 0.269 339 P C 0.032 177.209 177.300 -0.205 0.000 1.209 339 P CA -0.077 62.886 63.100 -0.229 0.000 0.776 339 P CB 0.534 32.054 31.700 -0.299 0.000 0.876 340 R N 1.676 122.101 120.500 -0.124 0.000 2.117 340 R HA -0.217 4.123 4.340 -0.000 0.000 0.243 340 R C 1.978 178.209 176.300 -0.114 0.000 1.143 340 R CA 1.481 57.521 56.100 -0.100 0.000 0.968 340 R CB -0.343 29.919 30.300 -0.064 0.000 0.863 340 R HN 0.620 nan 8.270 nan 0.000 0.444 341 E N 0.343 120.467 120.200 -0.126 0.000 2.160 341 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 341 E C 1.658 178.167 176.600 -0.152 0.000 0.991 341 E CA 1.334 57.661 56.400 -0.121 0.000 0.810 341 E CB 0.246 29.877 29.700 -0.115 0.000 0.742 341 E HN 0.174 nan 8.360 nan 0.000 0.466 342 V N 0.792 120.562 119.914 -0.240 0.000 2.649 342 V HA -0.170 3.949 4.120 -0.000 0.000 0.248 342 V C 2.188 178.173 176.094 -0.183 0.000 1.054 342 V CA 1.239 63.378 62.300 -0.268 0.000 1.073 342 V CB -0.298 31.210 31.823 -0.525 0.000 0.699 342 V HN 0.235 nan 8.190 nan 0.000 0.463 343 Q N 0.483 120.182 119.800 -0.169 0.000 2.226 343 Q HA -0.135 4.205 4.340 -0.000 0.000 0.204 343 Q C 2.374 178.330 176.000 -0.074 0.000 0.975 343 Q CA 1.579 57.316 55.803 -0.110 0.000 0.866 343 Q CB -0.390 28.293 28.738 -0.091 0.000 0.915 343 Q HN 0.656 nan 8.270 nan 0.000 0.440 344 A N 1.610 124.386 122.820 -0.073 0.000 2.019 344 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 344 A C 1.758 179.323 177.584 -0.033 0.000 1.164 344 A CA 1.250 53.258 52.037 -0.048 0.000 0.644 344 A CB -0.135 18.835 19.000 -0.050 0.000 0.805 344 A HN 0.191 nan 8.150 nan 0.000 0.449 345 K N -0.547 119.830 120.400 -0.038 0.000 2.400 345 K HA 0.241 4.561 4.320 -0.000 0.000 0.194 345 K C 1.402 178.004 176.600 0.003 0.000 1.033 345 K CA 0.326 56.608 56.287 -0.010 0.000 1.021 345 K CB -0.091 32.405 32.500 -0.007 0.000 0.808 345 K HN 0.492 nan 8.250 nan 0.000 0.505 346 I N 2.630 123.191 120.570 -0.015 0.000 2.163 346 I HA -0.234 3.935 4.170 -0.000 0.000 0.243 346 I C -0.630 175.491 176.117 0.006 0.000 1.085 346 I CA 1.355 62.650 61.300 -0.009 0.000 1.347 346 I CB -1.253 36.731 38.000 -0.025 0.000 1.044 346 I HN 0.099 nan 8.210 nan 0.000 0.408 347 P HA -0.217 nan 4.420 nan 0.000 0.215 347 P C 1.122 178.436 177.300 0.024 0.000 1.153 347 P CA 1.921 65.028 63.100 0.012 0.000 0.853 347 P CB -0.193 31.512 31.700 0.008 0.000 0.788 348 E N -0.592 119.626 120.200 0.031 0.000 2.230 348 E HA -0.078 4.271 4.350 -0.000 0.000 0.192 348 E C 1.594 178.227 176.600 0.056 0.000 0.987 348 E CA 0.608 57.037 56.400 0.048 0.000 0.841 348 E CB -0.292 29.446 29.700 0.063 0.000 0.783 348 E HN 0.208 nan 8.360 nan 0.000 0.481 349 E N 0.703 120.936 120.200 0.055 0.000 2.364 349 E HA 0.213 4.563 4.350 -0.000 0.000 0.203 349 E C 0.925 177.555 176.600 0.050 0.000 0.888 349 E CA 0.839 57.276 56.400 0.061 0.000 0.989 349 E CB 1.261 31.009 29.700 0.080 0.000 0.985 349 E HN 0.281 nan 8.360 nan 0.000 0.499 350 G N 1.215 110.038 108.800 0.037 0.000 2.570 350 G HA2 -0.177 3.782 3.960 -0.000 0.000 0.686 350 G HA3 -0.177 3.782 3.960 -0.000 0.000 0.686 350 G C 0.146 175.053 174.900 0.012 0.000 1.257 350 G CA -0.221 44.899 45.100 0.032 0.000 0.846 350 G HN 0.099 nan 8.290 nan 0.000 0.627 351 L N 0.779 121.996 121.223 -0.010 0.000 1.955 351 L HA 0.067 4.407 4.340 -0.000 0.000 0.213 351 L C 2.689 179.515 176.870 -0.073 0.000 1.072 351 L CA 3.302 58.113 54.840 -0.048 0.000 0.755 351 L CB -0.926 41.093 42.059 -0.066 0.000 0.888 351 L HN 0.814 nan 8.230 nan 0.000 0.432 352 E N -0.532 119.600 120.200 -0.113 0.000 2.097 352 E HA -0.221 4.128 4.350 -0.000 0.000 0.196 352 E C 2.334 178.960 176.600 0.042 0.000 1.000 352 E CA 1.278 57.607 56.400 -0.118 0.000 0.804 352 E CB -0.240 29.263 29.700 -0.328 0.000 0.740 352 E HN 0.242 nan 8.360 nan 0.000 0.454 353 R N 0.008 120.548 120.500 0.067 0.000 2.066 353 R HA 0.058 4.398 4.340 -0.000 0.000 0.232 353 R C 2.197 178.563 176.300 0.111 0.000 1.131 353 R CA 1.313 57.483 56.100 0.117 0.000 0.955 353 R CB -0.980 29.382 30.300 0.104 0.000 0.851 353 R HN 0.260 nan 8.270 nan 0.000 0.432 354 A N 0.391 123.251 122.820 0.066 0.000 1.892 354 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 354 A C 2.476 180.105 177.584 0.075 0.000 1.188 354 A CA 2.032 54.100 52.037 0.052 0.000 0.631 354 A CB -0.770 18.230 19.000 -0.001 0.000 0.822 354 A HN 0.136 nan 8.150 nan 0.000 0.447 355 V N -1.244 118.698 119.914 0.047 0.000 2.358 355 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 355 V C 2.686 178.891 176.094 0.186 0.000 1.047 355 V CA 1.881 64.233 62.300 0.087 0.000 1.035 355 V CB -1.074 30.696 31.823 -0.089 0.000 0.658 355 V HN 0.809 nan 8.190 nan 0.000 0.452 356 C N 0.325 119.744 119.300 0.199 0.000 2.429 356 C HA -0.179 4.280 4.460 -0.000 0.000 0.277 356 C C 2.546 177.639 174.990 0.170 0.000 1.262 356 C CA 1.382 60.531 59.018 0.219 0.000 1.733 356 C CB -1.207 26.687 27.740 0.256 0.000 2.010 356 C HN 0.623 nan 8.230 nan 0.000 0.483 357 D N -0.996 119.522 120.400 0.195 0.000 2.117 357 D HA -0.127 4.513 4.640 -0.000 0.000 0.197 357 D C 1.770 178.176 176.300 0.177 0.000 0.987 357 D CA 1.451 55.567 54.000 0.193 0.000 0.829 357 D CB -0.651 40.257 40.800 0.180 0.000 0.961 357 D HN 0.657 nan 8.370 nan 0.000 0.460 358 Y N 1.669 121.993 120.300 0.040 0.000 2.114 358 Y HA -0.169 4.381 4.550 0.000 0.000 0.284 358 Y C 2.281 178.205 175.900 0.040 0.000 1.143 358 Y CA 1.098 59.201 58.100 0.005 0.000 1.135 358 Y CB -0.678 37.755 38.460 -0.044 0.000 0.980 358 Y HN -0.095 nan 8.280 nan 0.000 0.499 359 I N 0.044 120.572 120.570 -0.070 0.000 2.179 359 I HA -0.331 3.839 4.170 -0.000 0.000 0.242 359 I C 2.624 178.671 176.117 -0.117 0.000 1.088 359 I CA 1.394 62.630 61.300 -0.108 0.000 1.357 359 I CB -0.800 37.241 38.000 0.069 0.000 1.051 359 I HN 0.290 nan 8.210 nan 0.000 0.409 360 A N 0.670 123.445 122.820 -0.074 0.000 2.019 360 A HA 0.017 4.337 4.320 -0.000 0.000 0.219 360 A C 1.601 179.171 177.584 -0.023 0.000 1.164 360 A CA 1.430 53.427 52.037 -0.066 0.000 0.644 360 A CB -1.191 17.824 19.000 0.025 0.000 0.805 360 A HN 0.440 nan 8.150 nan 0.000 0.449 364 D N 0.459 120.785 120.400 -0.124 0.000 2.116 364 D HA -0.105 4.534 4.640 -0.000 0.000 0.193 364 D C 1.971 178.401 176.300 0.215 0.000 0.998 364 D CA 1.432 55.345 54.000 -0.145 0.000 0.836 364 D CB -0.146 40.647 40.800 -0.013 0.000 0.951 364 D HN 0.473 nan 8.370 nan 0.000 0.449 365 R N -0.402 120.229 120.500 0.218 0.000 2.091 365 R HA -0.088 4.252 4.340 -0.000 0.000 0.238 365 R C 2.121 178.550 176.300 0.216 0.000 1.136 365 R CA 0.785 57.031 56.100 0.243 0.000 0.959 365 R CB -0.741 29.664 30.300 0.175 0.000 0.856 365 R HN 0.217 nan 8.270 nan 0.000 0.437 366 F N 0.140 120.124 119.950 0.057 0.000 2.206 366 F HA 0.066 4.592 4.527 -0.001 0.000 0.298 366 F C 1.924 177.771 175.800 0.078 0.000 1.090 366 F CA 1.071 59.097 58.000 0.043 0.000 1.323 366 F CB -0.472 38.523 39.000 -0.009 0.000 1.028 366 F HN 0.056 nan 8.300 nan 0.000 0.492 367 A N 0.624 123.626 122.820 0.304 0.000 1.877 367 A HA -0.183 4.136 4.320 -0.000 0.000 0.216 367 A C 2.120 179.859 177.584 0.258 0.000 1.186 367 A CA 1.806 53.998 52.037 0.259 0.000 0.620 367 A CB -1.361 17.734 19.000 0.158 0.000 0.822 367 A HN 0.483 nan 8.150 nan 0.000 0.443 368 L N -0.239 121.198 121.223 0.357 0.000 2.012 368 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 368 L C 2.212 179.157 176.870 0.124 0.000 1.073 368 L CA 2.434 57.434 54.840 0.265 0.000 0.748 368 L CB -0.691 41.539 42.059 0.285 0.000 0.891 368 L HN 0.353 nan 8.230 nan 0.000 0.431 369 E N 0.086 120.295 120.200 0.015 0.000 2.051 369 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 369 E C 2.253 178.760 176.600 -0.155 0.000 0.991 369 E CA 1.422 57.764 56.400 -0.097 0.000 0.799 369 E CB -0.726 28.867 29.700 -0.179 0.000 0.748 369 E HN 0.613 nan 8.360 nan 0.000 0.449 370 A N 0.714 123.361 122.820 -0.287 0.000 1.883 370 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 370 A C 2.217 179.782 177.584 -0.032 0.000 1.186 370 A CA 1.804 53.720 52.037 -0.201 0.000 0.624 370 A CB -1.041 17.870 19.000 -0.147 0.000 0.822 370 A HN 0.389 nan 8.150 nan 0.000 0.444 371 Y N 0.492 120.748 120.300 -0.073 0.000 2.128 371 Y HA -0.260 4.291 4.550 0.001 0.000 0.284 371 Y C 2.526 178.376 175.900 -0.084 0.000 1.154 371 Y CA 2.311 60.374 58.100 -0.063 0.000 1.149 371 Y CB -0.302 38.146 38.460 -0.021 0.000 0.976 371 Y HN 0.261 nan 8.280 nan 0.000 0.505 372 R N -0.272 120.229 120.500 0.002 0.000 2.096 372 R HA -0.136 4.203 4.340 -0.000 0.000 0.235 372 R C 2.278 178.484 176.300 -0.157 0.000 1.127 372 R CA 1.587 57.627 56.100 -0.100 0.000 0.968 372 R CB -0.249 30.039 30.300 -0.020 0.000 0.861 372 R HN 0.291 nan 8.270 nan 0.000 0.440 373 R N 0.344 120.766 120.500 -0.129 0.000 2.237 373 R HA -0.007 4.332 4.340 -0.000 0.000 0.219 373 R C 1.862 178.081 176.300 -0.135 0.000 1.080 373 R CA 0.713 56.746 56.100 -0.112 0.000 0.995 373 R CB -0.065 30.184 30.300 -0.085 0.000 0.875 373 R HN 0.199 nan 8.270 nan 0.000 0.462 374 L N -0.181 120.923 121.223 -0.199 0.000 2.478 374 L HA 0.023 4.363 4.340 -0.000 0.000 0.223 374 L C 0.135 176.860 176.870 -0.242 0.000 1.140 374 L CA 0.441 55.147 54.840 -0.223 0.000 0.842 374 L CB 0.081 41.965 42.059 -0.291 0.000 0.953 374 L HN 0.014 nan 8.230 nan 0.000 0.452 375 S N -1.249 114.298 115.700 -0.256 0.000 2.532 375 S HA 0.528 4.998 4.470 -0.000 0.000 0.301 375 S C -1.919 172.592 174.600 -0.147 0.000 1.083 375 S CA -1.076 56.996 58.200 -0.213 0.000 1.025 375 S CB 1.693 64.737 63.200 -0.258 0.000 1.056 375 S HN -0.062 nan 8.310 nan 0.000 0.494 376 P HA 0.000 nan 4.420 nan 0.000 0.216 376 P CA 0.000 63.048 63.100 -0.087 0.000 0.800 376 P CB 0.000 31.655 31.700 -0.075 0.000 0.726