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 1xra_1_A DATA FIRST_RESID 1 DATA SEQUENCE AKHLFTSESV SEGHPDKIAD QISDAVLDAI LEQDPKARVA CETYVKTGMV DATA SEQUENCE LVGGEITTSA WVDIEEITRN TVREIGYVHS DMGFDANSCA VLSAIGKQSP DATA SEQUENCE DXXXXXXRAD PLEQGAGDQG LMFGYATNET DVLMPAPITY AHRLVQRQAE DATA SEQUENCE VRKNGTLPWL RPDAKSQVTF QYDDGKIVGI DAVVLSTQHS EEIDQKSLQE DATA SEQUENCE AVMEEIIKPI LPAEWLTSAT KFFINPTGRF VIGGPMGDCG LTGRKIIVDT DATA SEQUENCE YGGMARHGGG AFSGKDPSKV DRSAAYAARY VAKNIVAAGL ADRCEIQVSY DATA SEQUENCE AIGVAEPTSI MVETFGTEKV PSEQLTLLVR EFFDLRPYGL IQMLDLLHPI DATA SEQUENCE YKETAAYGHF GREHFPWEKT DKAQLLRDAA GLK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.561 177.584 -0.038 0.000 1.274 1 A CA 0.000 52.019 52.037 -0.030 0.000 0.836 1 A CB 0.000 18.975 19.000 -0.042 0.000 0.831 2 K N 3.692 124.112 120.400 0.033 0.000 1.974 2 K HA -0.226 nan 4.320 nan 0.000 0.226 2 K C -1.329 175.423 176.600 0.254 0.000 1.039 2 K CA 1.377 57.730 56.287 0.110 0.000 1.022 2 K CB 0.433 32.992 32.500 0.099 0.000 0.746 2 K HN 0.495 8.764 8.250 0.033 0.000 0.445 3 H N -6.139 112.964 119.070 0.055 0.000 4.153 3 H HA -0.225 nan 4.556 nan 0.000 0.254 3 H C -2.094 173.287 175.328 0.089 0.000 0.589 3 H CA -0.666 55.411 56.048 0.050 0.000 0.710 3 H CB -0.135 29.636 29.762 0.015 0.000 1.139 3 H HN -0.216 8.180 8.280 0.193 0.000 0.295 4 L N -1.738 119.458 121.223 -0.045 0.000 2.409 4 L HA 0.838 nan 4.340 nan 0.000 0.262 4 L C -1.674 175.159 176.870 -0.062 0.000 0.992 4 L CA -1.303 53.520 54.840 -0.029 0.000 0.817 4 L CB 2.504 44.599 42.059 0.061 0.000 1.350 4 L HN -0.017 8.197 8.230 -0.026 0.000 0.411 5 F N 2.195 122.050 119.950 -0.158 0.000 2.588 5 F HA 0.388 nan 4.527 nan 0.000 0.310 5 F C -2.010 173.771 175.800 -0.031 0.000 1.082 5 F CA -0.944 56.945 58.000 -0.186 0.000 0.929 5 F CB 4.603 43.374 39.000 -0.382 0.000 1.254 5 F HN 0.767 9.195 8.300 0.213 0.000 0.455 6 T N 5.661 119.822 114.554 -0.655 0.000 2.906 6 T HA 0.621 nan 4.350 nan 0.000 0.295 6 T C -1.680 172.831 174.700 -0.314 0.000 1.075 6 T CA -1.082 60.852 62.100 -0.277 0.000 1.005 6 T CB 2.960 71.682 68.868 -0.243 0.000 1.136 6 T HN 0.075 7.431 8.240 -1.474 0.000 0.498 7 S N 0.501 116.166 115.700 -0.059 0.000 2.537 7 S HA 0.427 nan 4.470 nan 0.000 0.270 7 S C -2.157 172.434 174.600 -0.015 0.000 1.142 7 S CA -0.937 57.253 58.200 -0.018 0.000 0.870 7 S CB 3.555 66.813 63.200 0.097 0.000 1.112 7 S HN 0.012 8.332 8.310 0.016 0.000 0.466 8 E N 0.595 120.771 120.200 -0.040 0.000 2.281 8 E HA 0.735 nan 4.350 nan 0.000 0.257 8 E C -1.472 175.103 176.600 -0.042 0.000 0.971 8 E CA -1.848 54.539 56.400 -0.021 0.000 0.839 8 E CB 2.374 32.059 29.700 -0.025 0.000 1.238 8 E HN 0.015 8.342 8.360 -0.056 0.000 0.412 9 S N -0.621 115.082 115.700 0.006 0.000 2.651 9 S HA 0.445 nan 4.470 nan 0.000 0.279 9 S C -2.249 172.415 174.600 0.106 0.000 1.148 9 S CA -1.220 57.002 58.200 0.036 0.000 0.837 9 S CB 2.998 66.241 63.200 0.073 0.000 1.138 9 S HN 0.478 8.817 8.310 0.048 0.000 0.478 10 V N -4.924 115.071 119.914 0.135 0.000 3.141 10 V HA 0.902 nan 4.120 nan 0.000 0.312 10 V C -1.905 174.332 176.094 0.238 0.000 1.157 10 V CA -3.536 58.862 62.300 0.163 0.000 1.041 10 V CB 3.578 35.417 31.823 0.027 0.000 1.071 10 V HN 0.336 8.621 8.190 0.159 0.000 0.441 11 S N -0.477 115.390 115.700 0.278 0.000 2.669 11 S HA 0.358 nan 4.470 nan 0.000 0.270 11 S C 0.220 174.912 174.600 0.153 0.000 1.225 11 S CA -1.275 57.124 58.200 0.331 0.000 0.991 11 S CB 1.914 65.290 63.200 0.293 0.000 0.987 11 S HN -0.076 8.404 8.310 0.284 0.000 0.552 12 E N -0.874 119.360 120.200 0.057 0.000 2.467 12 E HA -0.449 nan 4.350 nan 0.000 0.264 12 E C 1.405 178.080 176.600 0.125 0.000 1.020 12 E CA 0.703 57.109 56.400 0.010 0.000 0.945 12 E CB -0.499 29.238 29.700 0.061 0.000 0.942 12 E HN -0.193 8.303 8.360 0.227 0.000 0.449 13 G N 1.846 110.737 108.800 0.152 0.000 2.245 13 G HA2 -0.571 nan 3.960 nan 0.000 0.264 13 G HA3 -0.571 nan 3.960 nan 0.000 0.264 13 G C -0.466 174.598 174.900 0.275 0.000 0.985 13 G CA 0.908 46.177 45.100 0.282 0.000 0.625 13 G HN 0.433 8.940 8.290 0.114 -0.148 0.536 14 H N 4.588 123.740 119.070 0.136 0.000 3.034 14 H HA 0.126 nan 4.556 nan 0.000 0.324 14 H C -1.078 174.261 175.328 0.018 0.000 1.015 14 H CA -0.664 55.444 56.048 0.100 0.000 1.429 14 H CB 0.429 30.238 29.762 0.078 0.000 1.429 14 H HN -0.535 7.862 8.280 0.281 0.052 0.585 15 P HA -0.273 nan 4.420 nan 0.000 0.216 15 P C 1.069 178.394 177.300 0.041 0.000 1.153 15 P CA 3.029 66.057 63.100 -0.120 0.000 0.858 15 P CB 0.139 31.698 31.700 -0.236 0.000 0.789 16 D N -2.317 118.243 120.400 0.268 0.000 2.123 16 D HA -0.296 nan 4.640 nan 0.000 0.196 16 D C 2.207 178.533 176.300 0.045 0.000 0.992 16 D CA 3.609 57.663 54.000 0.089 0.000 0.833 16 D CB -0.823 39.978 40.800 0.002 0.000 0.954 16 D HN 0.360 8.993 8.370 0.438 0.000 0.455 17 K N -1.092 119.362 120.400 0.089 0.000 2.288 17 K HA -0.150 nan 4.320 nan 0.000 0.201 17 K C 2.269 178.883 176.600 0.024 0.000 1.048 17 K CA 2.189 58.490 56.287 0.023 0.000 0.956 17 K CB -0.236 32.267 32.500 0.006 0.000 0.746 17 K HN -0.228 8.156 8.250 0.243 0.012 0.461 18 I N -0.914 119.674 120.570 0.031 0.000 2.163 18 I HA -0.470 nan 4.170 nan 0.000 0.240 18 I C 1.108 177.223 176.117 -0.003 0.000 1.081 18 I CA 3.419 64.722 61.300 0.004 0.000 1.353 18 I CB -0.393 37.566 38.000 -0.067 0.000 1.054 18 I HN -0.896 7.195 8.210 0.053 0.151 0.407 19 A N -0.109 122.700 122.820 -0.018 0.000 1.859 19 A HA -0.490 nan 4.320 nan 0.000 0.217 19 A C 1.739 179.332 177.584 0.014 0.000 1.198 19 A CA 3.682 55.715 52.037 -0.005 0.000 0.629 19 A CB -1.222 17.766 19.000 -0.020 0.000 0.830 19 A HN -0.164 7.902 8.150 -0.029 0.067 0.446 20 D N -1.501 118.907 120.400 0.013 0.000 2.126 20 D HA -0.443 nan 4.640 nan 0.000 0.190 20 D C 2.690 179.015 176.300 0.042 0.000 1.001 20 D CA 3.825 57.843 54.000 0.031 0.000 0.841 20 D CB -0.402 40.419 40.800 0.035 0.000 0.949 20 D HN -0.155 8.216 8.370 0.003 0.000 0.446 21 Q N -0.654 119.165 119.800 0.031 0.000 1.993 21 Q HA -0.330 nan 4.340 nan 0.000 0.202 21 Q C 2.749 178.779 176.000 0.051 0.000 0.984 21 Q CA 3.009 58.835 55.803 0.039 0.000 0.837 21 Q CB 0.140 28.897 28.738 0.031 0.000 0.902 21 Q HN -0.354 7.928 8.270 0.020 0.000 0.423 22 I N 0.093 120.693 120.570 0.050 0.000 2.185 22 I HA -0.639 nan 4.170 nan 0.000 0.246 22 I C 2.155 178.303 176.117 0.053 0.000 1.088 22 I CA 3.997 65.330 61.300 0.056 0.000 1.347 22 I CB -0.502 37.532 38.000 0.056 0.000 1.041 22 I HN 0.059 8.294 8.210 0.042 0.000 0.415 23 S N 0.148 115.875 115.700 0.046 0.000 2.348 23 S HA -0.372 nan 4.470 nan 0.000 0.221 23 S C 2.344 176.971 174.600 0.044 0.000 1.033 23 S CA 4.464 62.687 58.200 0.039 0.000 1.010 23 S CB -0.394 62.825 63.200 0.032 0.000 0.891 23 S HN -0.025 8.305 8.310 0.042 0.005 0.442 24 D N 1.132 121.568 120.400 0.059 0.000 2.219 24 D HA -0.117 nan 4.640 nan 0.000 0.205 24 D C 1.932 178.285 176.300 0.088 0.000 0.970 24 D CA 2.822 56.869 54.000 0.078 0.000 0.851 24 D CB -0.208 40.658 40.800 0.111 0.000 0.943 24 D HN -0.049 8.281 8.370 0.060 0.076 0.488 25 A N 0.280 123.147 122.820 0.078 0.000 1.933 25 A HA -0.238 nan 4.320 nan 0.000 0.218 25 A C 2.340 179.966 177.584 0.070 0.000 1.175 25 A CA 3.339 55.423 52.037 0.078 0.000 0.628 25 A CB -0.614 18.429 19.000 0.072 0.000 0.814 25 A HN 0.402 8.484 8.150 0.070 0.110 0.444 26 V N 0.295 120.244 119.914 0.058 0.000 2.295 26 V HA -0.400 nan 4.120 nan 0.000 0.246 26 V C 1.653 177.771 176.094 0.041 0.000 1.049 26 V CA 4.209 66.537 62.300 0.048 0.000 1.024 26 V CB -0.801 31.044 31.823 0.037 0.000 0.648 26 V HN -0.362 7.861 8.190 0.055 0.000 0.447 27 L N -0.947 120.296 121.223 0.034 0.000 2.042 27 L HA -0.445 nan 4.340 nan 0.000 0.210 27 L C 1.420 178.326 176.870 0.061 0.000 1.076 27 L CA 3.510 58.360 54.840 0.017 0.000 0.749 27 L CB -0.597 41.454 42.059 -0.013 0.000 0.893 27 L HN -0.378 7.802 8.230 0.037 0.072 0.432 28 D N -0.777 119.687 120.400 0.106 0.000 2.092 28 D HA -0.384 nan 4.640 nan 0.000 0.193 28 D C 2.308 178.664 176.300 0.094 0.000 0.994 28 D CA 3.713 57.793 54.000 0.135 0.000 0.828 28 D CB -0.639 40.245 40.800 0.140 0.000 0.963 28 D HN 0.351 8.785 8.370 0.107 0.000 0.450 29 A N -0.920 121.947 122.820 0.077 0.000 1.978 29 A HA -0.248 nan 4.320 nan 0.000 0.220 29 A C 2.564 180.181 177.584 0.054 0.000 1.170 29 A CA 2.883 54.960 52.037 0.067 0.000 0.636 29 A CB -0.544 18.494 19.000 0.064 0.000 0.810 29 A HN -0.359 7.838 8.150 0.078 0.000 0.448 30 I N -1.275 119.320 120.570 0.040 0.000 2.206 30 I HA -0.428 nan 4.170 nan 0.000 0.239 30 I C 1.757 177.885 176.117 0.017 0.000 1.078 30 I CA 3.732 65.042 61.300 0.017 0.000 1.367 30 I CB 0.238 38.234 38.000 -0.006 0.000 1.078 30 I HN -0.176 7.933 8.210 0.043 0.128 0.413 31 L N -0.638 120.601 121.223 0.026 0.000 2.151 31 L HA -0.467 nan 4.340 nan 0.000 0.215 31 L C 1.989 178.881 176.870 0.036 0.000 1.084 31 L CA 3.063 57.922 54.840 0.031 0.000 0.764 31 L CB -0.543 41.562 42.059 0.076 0.000 0.891 31 L HN -0.197 8.051 8.230 0.030 0.000 0.435 32 E N -1.707 118.525 120.200 0.054 0.000 2.110 32 E HA -0.290 nan 4.350 nan 0.000 0.193 32 E C 1.575 178.201 176.600 0.043 0.000 0.988 32 E CA 2.208 58.642 56.400 0.056 0.000 0.804 32 E CB 0.181 29.920 29.700 0.064 0.000 0.745 32 E HN 0.094 8.477 8.360 0.062 0.014 0.458 33 Q N -3.547 116.275 119.800 0.037 0.000 2.354 33 Q HA -0.066 nan 4.340 nan 0.000 0.203 33 Q C -0.193 175.814 176.000 0.012 0.000 0.933 33 Q CA 0.830 56.652 55.803 0.031 0.000 0.901 33 Q CB 1.632 30.392 28.738 0.038 0.000 1.007 33 Q HN -0.622 7.670 8.270 0.037 0.000 0.495 34 D N -2.207 118.193 120.400 -0.000 0.000 2.445 34 D HA 0.392 nan 4.640 nan 0.000 0.236 34 D C -2.020 174.266 176.300 -0.023 0.000 1.315 34 D CA -2.339 51.651 54.000 -0.016 0.000 0.924 34 D CB 0.651 41.431 40.800 -0.033 0.000 1.447 34 D HN -0.407 7.845 8.370 0.004 0.121 0.532 35 P HA -0.148 nan 4.420 nan 0.000 0.225 35 P C 0.114 177.389 177.300 -0.042 0.000 1.148 35 P CA 1.214 64.285 63.100 -0.048 0.000 0.779 35 P CB 0.462 32.111 31.700 -0.085 0.000 0.780 36 K N -3.732 116.651 120.400 -0.029 0.000 2.374 36 K HA 0.004 nan 4.320 nan 0.000 0.196 36 K C -0.349 176.234 176.600 -0.027 0.000 1.023 36 K CA -1.088 55.188 56.287 -0.018 0.000 1.103 36 K CB 0.204 32.703 32.500 -0.001 0.000 0.848 36 K HN -0.739 7.616 8.250 -0.027 -0.121 0.528 37 A N 0.351 123.148 122.820 -0.040 0.000 2.555 37 A HA -0.066 nan 4.320 nan 0.000 0.233 37 A C -0.831 176.719 177.584 -0.057 0.000 1.060 37 A CA 0.923 52.930 52.037 -0.051 0.000 0.759 37 A CB 0.509 19.476 19.000 -0.055 0.000 0.995 37 A HN -0.351 7.696 8.150 -0.038 0.080 0.506 38 R N 2.222 122.688 120.500 -0.057 0.000 2.295 38 R HA 0.306 nan 4.340 nan 0.000 0.324 38 R C -1.790 174.468 176.300 -0.070 0.000 0.968 38 R CA -1.406 54.657 56.100 -0.062 0.000 0.837 38 R CB 1.219 31.493 30.300 -0.043 0.000 1.133 38 R HN -0.246 7.989 8.270 -0.057 0.000 0.450 39 V N 4.405 124.269 119.914 -0.084 0.000 2.789 39 V HA 0.810 nan 4.120 nan 0.000 0.311 39 V C -2.112 173.935 176.094 -0.078 0.000 1.073 39 V CA -1.149 61.106 62.300 -0.075 0.000 0.921 39 V CB 4.408 36.187 31.823 -0.075 0.000 1.009 39 V HN 0.185 8.589 8.190 -0.102 -0.276 0.426 40 A N 5.996 128.781 122.820 -0.059 0.000 2.499 40 A HA 0.557 nan 4.320 nan 0.000 0.280 40 A C -3.140 174.423 177.584 -0.034 0.000 1.135 40 A CA -1.053 50.953 52.037 -0.053 0.000 0.744 40 A CB 2.065 21.037 19.000 -0.047 0.000 1.213 40 A HN 0.440 8.560 8.150 -0.050 0.000 0.434 41 C N 4.785 124.069 119.300 -0.026 0.000 2.316 41 C HA 0.678 nan 4.460 nan 0.000 0.324 41 C C -1.295 173.697 174.990 0.004 0.000 1.226 41 C CA -2.078 56.935 59.018 -0.008 0.000 1.450 41 C CB 1.025 28.762 27.740 -0.005 0.000 2.123 41 C HN 0.276 8.381 8.230 -0.033 0.106 0.454 42 E N 7.799 128.006 120.200 0.012 0.000 2.202 42 E HA 0.437 nan 4.350 nan 0.000 0.272 42 E C -1.775 174.855 176.600 0.050 0.000 0.951 42 E CA -1.634 54.782 56.400 0.026 0.000 0.813 42 E CB 3.709 33.424 29.700 0.026 0.000 1.151 42 E HN 0.663 9.030 8.360 0.011 0.000 0.398 43 T N 2.634 117.230 114.554 0.069 0.000 2.909 43 T HA 0.666 nan 4.350 nan 0.000 0.299 43 T C -2.311 172.479 174.700 0.150 0.000 1.073 43 T CA -0.884 61.275 62.100 0.098 0.000 0.999 43 T CB 2.345 71.251 68.868 0.063 0.000 1.098 43 T HN 0.152 8.427 8.240 0.059 0.000 0.477 44 Y N 3.954 124.253 120.300 -0.001 0.000 2.421 44 Y HA 0.645 nan 4.550 nan 0.000 0.339 44 Y C -2.929 172.967 175.900 -0.008 0.000 0.996 44 Y CA -1.202 56.894 58.100 -0.007 0.000 1.046 44 Y CB 3.387 41.846 38.460 -0.001 0.000 1.226 44 Y HN 0.071 8.496 8.280 0.242 0.000 0.445 45 V N 4.354 124.171 119.914 -0.161 0.000 2.709 45 V HA 0.807 nan 4.120 nan 0.000 0.308 45 V C -2.372 173.603 176.094 -0.199 0.000 1.062 45 V CA -2.283 59.958 62.300 -0.098 0.000 0.901 45 V CB 2.565 34.253 31.823 -0.226 0.000 1.003 45 V HN 0.996 8.905 8.190 -0.468 0.000 0.425 46 K N 4.895 125.272 120.400 -0.038 0.000 2.642 46 K HA 0.461 nan 4.320 nan 0.000 0.290 46 K C -0.703 175.974 176.600 0.127 0.000 1.006 46 K CA -0.395 55.897 56.287 0.008 0.000 0.869 46 K CB 3.618 36.201 32.500 0.139 0.000 1.499 46 K HN 0.355 8.640 8.250 0.058 0.000 0.403 47 T N -0.967 113.658 114.554 0.119 0.000 2.803 47 T HA -0.174 nan 4.350 nan 0.000 0.269 47 T C 0.434 175.295 174.700 0.268 0.000 1.052 47 T CA 3.063 65.277 62.100 0.190 0.000 1.136 47 T CB -0.385 68.542 68.868 0.099 0.000 0.864 47 T HN 0.612 8.899 8.240 0.077 0.000 0.467 48 G N -1.643 107.259 108.800 0.170 0.000 3.088 48 G HA2 0.237 nan 3.960 nan 0.000 0.217 48 G HA3 0.237 nan 3.960 nan 0.000 0.217 48 G C -1.833 173.125 174.900 0.097 0.000 1.159 48 G CA -0.685 44.459 45.100 0.072 0.000 0.760 48 G HN -0.103 8.240 8.290 0.160 0.042 0.550 49 M N -5.000 114.773 119.600 0.288 0.000 2.694 49 M HA 0.713 nan 4.480 nan 0.000 0.276 49 M C -2.628 173.837 176.300 0.275 0.000 1.167 49 M CA 0.059 55.490 55.300 0.219 0.000 0.849 49 M CB 3.594 36.279 32.600 0.142 0.000 1.705 49 M HN -0.188 8.375 8.290 0.515 0.037 0.504 50 V N -0.341 119.699 119.914 0.210 0.000 2.524 50 V HA 0.738 nan 4.120 nan 0.000 0.297 50 V C -2.316 173.863 176.094 0.142 0.000 1.035 50 V CA -0.206 62.204 62.300 0.183 0.000 0.867 50 V CB 2.150 34.084 31.823 0.185 0.000 1.004 50 V HN 0.378 8.666 8.190 0.164 0.000 0.426 51 L N 8.697 130.010 121.223 0.150 0.000 2.298 51 L HA 0.849 nan 4.340 nan 0.000 0.284 51 L C -2.570 174.350 176.870 0.084 0.000 1.013 51 L CA -1.252 53.640 54.840 0.086 0.000 0.824 51 L CB 2.688 44.768 42.059 0.034 0.000 1.221 51 L HN 0.670 9.024 8.230 0.206 0.000 0.418 52 V N 6.513 126.464 119.914 0.061 0.000 2.409 52 V HA 0.851 nan 4.120 nan 0.000 0.291 52 V C -2.174 173.942 176.094 0.036 0.000 1.020 52 V CA -2.889 59.444 62.300 0.055 0.000 0.848 52 V CB 2.832 34.689 31.823 0.057 0.000 0.990 52 V HN 0.844 9.066 8.190 0.052 0.000 0.430 53 G N 7.019 115.836 108.800 0.028 0.000 2.706 53 G HA2 0.783 nan 3.960 nan 0.000 0.297 53 G HA3 0.783 nan 3.960 nan 0.000 0.297 53 G C -2.868 172.036 174.900 0.007 0.000 1.403 53 G CA -0.798 44.309 45.100 0.012 0.000 0.954 53 G HN 0.472 8.782 8.290 0.034 0.000 0.500 54 G N -0.054 108.745 108.800 -0.002 0.000 2.441 54 G HA2 0.432 nan 3.960 nan 0.000 0.294 54 G HA3 0.432 nan 3.960 nan 0.000 0.294 54 G C -3.027 171.864 174.900 -0.015 0.000 1.393 54 G CA 0.683 45.778 45.100 -0.009 0.000 0.796 54 G HN 0.106 8.303 8.290 -0.003 0.091 0.494 55 E N -0.638 119.548 120.200 -0.023 0.000 2.199 55 E HA 0.939 nan 4.350 nan 0.000 0.269 55 E C -1.434 175.143 176.600 -0.039 0.000 0.899 55 E CA -2.410 53.973 56.400 -0.029 0.000 0.772 55 E CB 3.500 33.183 29.700 -0.029 0.000 1.155 55 E HN -0.360 7.985 8.360 -0.025 0.000 0.408 56 I N -0.885 119.656 120.570 -0.049 0.000 2.582 56 I HA 0.876 nan 4.170 nan 0.000 0.292 56 I C -1.621 174.450 176.117 -0.077 0.000 1.066 56 I CA -1.829 59.434 61.300 -0.062 0.000 1.053 56 I CB 3.492 41.453 38.000 -0.065 0.000 1.241 56 I HN 0.629 8.810 8.210 -0.049 0.000 0.421 57 T N 8.418 122.926 114.554 -0.076 0.000 2.963 57 T HA 0.574 nan 4.350 nan 0.000 0.343 57 T C -1.754 172.891 174.700 -0.092 0.000 1.146 57 T CA -0.671 61.380 62.100 -0.081 0.000 1.016 57 T CB 0.018 68.850 68.868 -0.059 0.000 1.046 57 T HN 0.727 8.926 8.240 -0.069 0.000 0.496 58 T N 7.189 121.665 114.554 -0.130 0.000 2.802 58 T HA 0.532 nan 4.350 nan 0.000 0.311 58 T C -0.977 173.600 174.700 -0.204 0.000 1.405 58 T CA -1.636 60.379 62.100 -0.143 0.000 1.016 58 T CB 2.446 71.227 68.868 -0.145 0.000 1.352 58 T HN 0.113 8.263 8.240 -0.150 0.000 0.498 59 S N 2.389 117.980 115.700 -0.180 0.000 2.456 59 S HA 0.051 nan 4.470 nan 0.000 0.224 59 S C 1.116 175.508 174.600 -0.346 0.000 1.035 59 S CA 1.155 59.219 58.200 -0.225 0.000 0.940 59 S CB 0.683 63.819 63.200 -0.108 0.000 0.799 59 S HN 0.297 8.805 8.310 -0.128 -0.275 0.508 60 A N 2.901 125.590 122.820 -0.219 0.000 2.613 60 A HA -0.252 nan 4.320 nan 0.000 0.230 60 A C -1.998 175.438 177.584 -0.247 0.000 1.051 60 A CA 1.230 53.181 52.037 -0.145 0.000 0.754 60 A CB 0.135 19.095 19.000 -0.067 0.000 0.979 60 A HN -0.330 7.726 8.150 -0.157 0.000 0.510 61 W N 0.801 122.109 121.300 0.012 0.000 2.587 61 W HA 0.277 nan 4.660 nan 0.000 0.324 61 W C -1.202 175.327 176.519 0.016 0.000 1.040 61 W CA -0.392 56.961 57.345 0.012 0.000 1.222 61 W CB 2.585 32.052 29.460 0.012 0.000 1.381 61 W HN -0.270 8.328 8.180 0.218 -0.287 0.483 62 V N -0.028 120.059 119.914 0.288 0.000 2.971 62 V HA 0.233 nan 4.120 nan 0.000 0.309 62 V C -1.665 174.523 176.094 0.157 0.000 1.130 62 V CA -1.746 60.657 62.300 0.170 0.000 0.964 62 V CB 2.985 34.872 31.823 0.106 0.000 1.029 62 V HN -0.003 8.393 8.190 0.342 0.000 0.427 63 D N 3.163 123.630 120.400 0.111 0.000 2.456 63 D HA 0.222 nan 4.640 nan 0.000 0.219 63 D C 0.506 176.852 176.300 0.076 0.000 1.126 63 D CA -1.400 52.653 54.000 0.089 0.000 0.890 63 D CB -0.125 40.715 40.800 0.067 0.000 1.025 63 D HN 0.140 8.569 8.370 0.099 0.000 0.511 64 I N 5.931 126.548 120.570 0.078 0.000 2.361 64 I HA -0.443 nan 4.170 nan 0.000 0.251 64 I C 1.536 177.691 176.117 0.064 0.000 1.133 64 I CA 2.483 63.825 61.300 0.069 0.000 1.413 64 I CB -0.241 37.798 38.000 0.066 0.000 1.073 64 I HN 0.260 8.523 8.210 0.088 0.000 0.424 65 E N -0.830 119.406 120.200 0.059 0.000 2.051 65 E HA -0.386 nan 4.350 nan 0.000 0.192 65 E C 1.703 178.336 176.600 0.054 0.000 0.991 65 E CA 4.130 60.562 56.400 0.053 0.000 0.799 65 E CB -0.099 29.626 29.700 0.043 0.000 0.748 65 E HN -0.381 8.212 8.360 0.059 -0.198 0.449 66 E N -0.740 119.492 120.200 0.052 0.000 2.072 66 E HA -0.233 nan 4.350 nan 0.000 0.190 66 E C 2.444 179.080 176.600 0.059 0.000 0.982 66 E CA 2.676 59.107 56.400 0.051 0.000 0.803 66 E CB -0.378 29.348 29.700 0.045 0.000 0.755 66 E HN -0.815 7.955 8.360 0.051 -0.380 0.453 67 I N -0.230 120.378 120.570 0.062 0.000 2.145 67 I HA -0.548 nan 4.170 nan 0.000 0.244 67 I C 2.366 178.526 176.117 0.072 0.000 1.075 67 I CA 2.766 64.106 61.300 0.066 0.000 1.332 67 I CB -1.981 36.059 38.000 0.066 0.000 1.033 67 I HN 0.589 8.837 8.210 0.062 0.000 0.410 68 T N 1.967 116.566 114.554 0.075 0.000 2.643 68 T HA -0.335 nan 4.350 nan 0.000 0.264 68 T C 2.260 177.019 174.700 0.099 0.000 1.045 68 T CA 4.983 67.135 62.100 0.087 0.000 1.155 68 T CB -0.553 68.368 68.868 0.089 0.000 0.863 68 T HN 0.108 8.380 8.240 0.070 0.010 0.420 69 R N 0.420 120.974 120.500 0.089 0.000 2.148 69 R HA -0.314 nan 4.340 nan 0.000 0.227 69 R C 2.462 178.816 176.300 0.091 0.000 1.103 69 R CA 3.546 59.702 56.100 0.093 0.000 0.983 69 R CB -0.299 30.042 30.300 0.069 0.000 0.874 69 R HN -0.377 7.938 8.270 0.077 0.000 0.451 70 N N -0.938 117.808 118.700 0.078 0.000 2.270 70 N HA -0.105 nan 4.740 nan 0.000 0.181 70 N C 1.780 177.340 175.510 0.083 0.000 1.016 70 N CA 3.339 56.433 53.050 0.073 0.000 0.870 70 N CB -0.321 38.203 38.487 0.061 0.000 0.979 70 N HN 0.283 8.690 8.380 0.073 0.018 0.431 71 T N 4.539 119.147 114.554 0.090 0.000 2.857 71 T HA -0.097 nan 4.350 nan 0.000 0.266 71 T C 1.930 176.701 174.700 0.118 0.000 1.048 71 T CA 4.215 66.371 62.100 0.094 0.000 1.139 71 T CB -0.215 68.705 68.868 0.087 0.000 0.874 71 T HN -0.454 7.740 8.240 0.089 0.100 0.455 72 V N 2.465 122.467 119.914 0.147 0.000 2.427 72 V HA -0.400 nan 4.120 nan 0.000 0.248 72 V C 1.721 177.943 176.094 0.213 0.000 1.051 72 V CA 4.392 66.820 62.300 0.214 0.000 1.048 72 V CB -0.923 31.069 31.823 0.280 0.000 0.666 72 V HN 0.137 8.409 8.190 0.137 0.000 0.456 73 R N -1.157 119.434 120.500 0.151 0.000 2.092 73 R HA -0.297 nan 4.340 nan 0.000 0.231 73 R C 1.683 178.035 176.300 0.087 0.000 1.119 73 R CA 3.282 59.451 56.100 0.115 0.000 0.970 73 R CB -0.159 30.192 30.300 0.084 0.000 0.864 73 R HN -0.164 8.186 8.270 0.134 0.000 0.440 74 E N -1.738 118.511 120.200 0.082 0.000 2.110 74 E HA -0.186 nan 4.350 nan 0.000 0.193 74 E C 1.764 178.401 176.600 0.061 0.000 0.988 74 E CA 2.444 58.883 56.400 0.064 0.000 0.804 74 E CB 0.400 30.140 29.700 0.066 0.000 0.745 74 E HN -0.696 7.718 8.360 0.090 0.000 0.458 75 I N -3.479 117.141 120.570 0.084 0.000 2.286 75 I HA -0.408 nan 4.170 nan 0.000 0.248 75 I C 0.529 176.632 176.117 -0.023 0.000 1.115 75 I CA 2.798 64.138 61.300 0.066 0.000 1.392 75 I CB 0.839 38.927 38.000 0.147 0.000 1.065 75 I HN -0.535 7.739 8.210 0.107 0.000 0.418 76 G N -4.340 104.467 108.800 0.012 0.000 2.151 76 G HA2 -0.330 nan 3.960 nan 0.000 0.156 76 G HA3 -0.330 nan 3.960 nan 0.000 0.156 76 G C -0.746 174.116 174.900 -0.063 0.000 1.017 76 G CA -0.504 44.568 45.100 -0.046 0.000 0.686 76 G HN -0.536 7.725 8.290 0.096 0.086 0.503 77 Y N 0.071 120.436 120.300 0.108 0.000 2.504 77 Y HA 0.027 nan 4.550 nan 0.000 0.339 77 Y C -1.667 174.326 175.900 0.154 0.000 0.974 77 Y CA 0.032 58.225 58.100 0.155 0.000 1.232 77 Y CB -0.229 38.383 38.460 0.253 0.000 1.108 77 Y HN -0.647 7.815 8.280 0.304 0.000 0.509 78 V N 5.160 125.231 119.914 0.261 0.000 3.392 78 V HA 0.203 nan 4.120 nan 0.000 0.294 78 V C -1.605 174.594 176.094 0.174 0.000 1.561 78 V CA -0.285 62.111 62.300 0.161 0.000 1.056 78 V CB 0.902 32.785 31.823 0.099 0.000 0.882 78 V HN 0.163 8.512 8.190 0.265 0.000 0.440 79 H N -0.466 118.655 119.070 0.084 0.000 3.085 79 H HA 0.291 nan 4.556 nan 0.000 0.356 79 H C 0.374 175.737 175.328 0.058 0.000 1.178 79 H CA -1.339 54.741 56.048 0.052 0.000 1.214 79 H CB 3.409 33.200 29.762 0.048 0.000 1.881 79 H HN -0.839 7.603 8.280 0.271 0.000 0.538 80 S N 5.850 121.491 115.700 -0.100 0.000 2.382 80 S HA -0.340 nan 4.470 nan 0.000 0.228 80 S C 1.242 175.777 174.600 -0.109 0.000 1.027 80 S CA 3.244 61.377 58.200 -0.112 0.000 0.991 80 S CB -0.012 63.114 63.200 -0.124 0.000 0.823 80 S HN 0.563 8.809 8.310 -0.107 0.000 0.469 81 D N 1.146 121.397 120.400 -0.248 0.000 2.351 81 D HA -0.262 nan 4.640 nan 0.000 0.216 81 D C 1.477 177.777 176.300 -0.001 0.000 0.968 81 D CA 2.064 55.988 54.000 -0.127 0.000 0.899 81 D CB -0.917 39.786 40.800 -0.161 0.000 0.907 81 D HN 0.106 8.142 8.370 -0.558 0.000 0.514 82 M N -2.415 117.228 119.600 0.072 0.000 2.349 82 M HA -0.388 nan 4.480 nan 0.000 0.266 82 M C 0.954 177.373 176.300 0.198 0.000 1.076 82 M CA 2.316 57.712 55.300 0.160 0.000 1.126 82 M CB 0.779 33.530 32.600 0.252 0.000 1.392 82 M HN -0.289 7.869 8.290 0.065 0.171 0.440 83 G N -2.656 106.236 108.800 0.153 0.000 2.796 83 G HA2 -0.238 nan 3.960 nan 0.000 0.198 83 G HA3 -0.238 nan 3.960 nan 0.000 0.198 83 G C -1.465 173.551 174.900 0.193 0.000 1.062 83 G CA -0.216 44.971 45.100 0.146 0.000 0.752 83 G HN -0.052 8.137 8.290 0.101 0.161 0.487 84 F N 0.815 120.763 119.950 -0.004 0.000 2.654 84 F HA 0.154 nan 4.527 nan 0.000 0.314 84 F C -2.902 172.929 175.800 0.052 0.000 1.116 84 F CA -0.356 57.608 58.000 -0.061 0.000 1.017 84 F CB 2.985 41.805 39.000 -0.300 0.000 1.285 84 F HN -0.846 7.649 8.300 0.324 0.000 0.448 85 D N 4.517 124.731 120.400 -0.310 0.000 2.492 85 D HA 0.378 nan 4.640 nan 0.000 0.248 85 D C -0.672 175.542 176.300 -0.143 0.000 1.101 85 D CA -2.018 51.937 54.000 -0.075 0.000 0.840 85 D CB 2.366 43.149 40.800 -0.029 0.000 1.209 85 D HN 0.149 8.110 8.370 -0.682 0.000 0.524 86 A N 6.328 129.188 122.820 0.067 0.000 2.024 86 A HA -0.296 nan 4.320 nan 0.000 0.220 86 A C 1.320 178.917 177.584 0.022 0.000 1.164 86 A CA 3.123 55.215 52.037 0.091 0.000 0.643 86 A CB 0.044 19.127 19.000 0.138 0.000 0.806 86 A HN 0.751 8.893 8.150 0.155 0.100 0.451 87 N N -2.531 116.172 118.700 0.004 0.000 2.405 87 N HA -0.000 nan 4.740 nan 0.000 0.175 87 N C 0.540 176.034 175.510 -0.027 0.000 1.051 87 N CA 2.161 55.211 53.050 -0.000 0.000 0.899 87 N CB 0.543 39.037 38.487 0.011 0.000 1.000 87 N HN 0.124 8.965 8.380 0.010 -0.456 0.451 88 S N -1.153 114.509 115.700 -0.064 0.000 2.540 88 S HA 0.140 nan 4.470 nan 0.000 0.222 88 S C 0.910 175.437 174.600 -0.122 0.000 1.008 88 S CA 0.003 58.159 58.200 -0.074 0.000 0.939 88 S CB 0.905 64.069 63.200 -0.060 0.000 0.865 88 S HN -0.707 7.716 8.310 -0.078 -0.160 0.499 89 C N 2.181 121.356 119.300 -0.208 0.000 2.700 89 C HA 0.324 nan 4.460 nan 0.000 0.397 89 C C -0.749 174.178 174.990 -0.106 0.000 1.301 89 C CA -2.144 56.712 59.018 -0.271 0.000 2.219 89 C CB 0.907 28.306 27.740 -0.568 0.000 2.699 89 C HN -0.231 7.862 8.230 -0.228 0.000 0.669 90 A N 0.777 123.564 122.820 -0.055 0.000 2.316 90 A HA 0.376 nan 4.320 nan 0.000 0.284 90 A C -1.920 175.689 177.584 0.043 0.000 1.115 90 A CA -0.502 51.535 52.037 -0.000 0.000 0.812 90 A CB 1.263 20.269 19.000 0.010 0.000 1.064 90 A HN 0.399 8.509 8.150 -0.067 0.000 0.489 91 V N 1.184 121.125 119.914 0.044 0.000 2.487 91 V HA 0.630 nan 4.120 nan 0.000 0.298 91 V C -0.576 175.547 176.094 0.048 0.000 1.028 91 V CA -0.884 61.453 62.300 0.063 0.000 0.860 91 V CB 1.171 33.031 31.823 0.062 0.000 0.991 91 V HN 0.167 8.375 8.190 0.030 0.000 0.427 92 L N 7.045 128.297 121.223 0.049 0.000 2.342 92 L HA 0.601 nan 4.340 nan 0.000 0.271 92 L C -1.147 175.744 176.870 0.035 0.000 1.008 92 L CA -1.501 53.359 54.840 0.034 0.000 0.818 92 L CB 3.591 45.663 42.059 0.022 0.000 1.296 92 L HN 0.871 9.138 8.230 0.062 0.000 0.427 93 S N 1.660 117.378 115.700 0.030 0.000 2.513 93 S HA 0.696 nan 4.470 nan 0.000 0.299 93 S C -1.183 173.428 174.600 0.018 0.000 1.087 93 S CA -0.958 57.259 58.200 0.029 0.000 1.012 93 S CB 1.269 64.492 63.200 0.038 0.000 1.044 93 S HN 0.115 8.442 8.310 0.028 0.000 0.485 94 A N 5.790 128.617 122.820 0.012 0.000 3.258 94 A HA 0.407 nan 4.320 nan 0.000 0.318 94 A C -2.039 175.547 177.584 0.005 0.000 0.990 94 A CA -0.116 51.924 52.037 0.005 0.000 0.885 94 A CB 0.920 19.915 19.000 -0.008 0.000 1.090 94 A HN 0.645 8.698 8.150 0.014 0.105 0.479 95 I N 0.156 120.733 120.570 0.011 0.000 2.339 95 I HA 0.397 nan 4.170 nan 0.000 0.290 95 I C -0.028 176.090 176.117 0.001 0.000 0.994 95 I CA -1.052 60.251 61.300 0.005 0.000 1.191 95 I CB 0.515 38.521 38.000 0.010 0.000 1.343 95 I HN -0.414 7.807 8.210 0.018 0.000 0.458 96 G N 7.391 116.185 108.800 -0.009 0.000 2.343 96 G HA2 0.241 nan 3.960 nan 0.000 0.319 96 G HA3 0.241 nan 3.960 nan 0.000 0.319 96 G C -2.741 172.141 174.900 -0.030 0.000 1.126 96 G CA -0.697 44.395 45.100 -0.013 0.000 0.889 96 G HN 0.196 8.479 8.290 -0.013 0.000 0.457 97 K N 1.884 122.260 120.400 -0.041 0.000 2.207 97 K HA 0.779 nan 4.320 nan 0.000 0.255 97 K C -1.391 175.167 176.600 -0.071 0.000 0.941 97 K CA -1.378 54.864 56.287 -0.076 0.000 0.825 97 K CB 1.989 34.414 32.500 -0.126 0.000 1.119 97 K HN -0.143 8.090 8.250 -0.028 0.000 0.430 98 Q N 4.748 124.500 119.800 -0.080 0.000 2.372 98 Q HA 0.375 nan 4.340 nan 0.000 0.273 98 Q C -1.988 173.959 176.000 -0.088 0.000 1.078 98 Q CA -1.505 54.258 55.803 -0.066 0.000 0.806 98 Q CB 4.438 33.147 28.738 -0.049 0.000 1.332 98 Q HN 0.358 8.573 8.270 -0.091 0.000 0.435 99 S N 4.245 119.899 115.700 -0.077 0.000 2.480 99 S HA 0.442 nan 4.470 nan 0.000 0.286 99 S C -1.818 172.749 174.600 -0.055 0.000 1.180 99 S CA -1.894 56.259 58.200 -0.079 0.000 1.075 99 S CB 0.536 63.697 63.200 -0.064 0.000 0.996 99 S HN 0.225 8.499 8.310 -0.060 0.000 0.487 100 P HA 0.168 nan 4.420 nan 0.000 0.272 100 P C -1.774 175.508 177.300 -0.031 0.000 1.230 100 P CA 0.069 63.146 63.100 -0.038 0.000 0.788 100 P CB 0.733 32.410 31.700 -0.037 0.000 0.949 109 A N 0.999 123.798 122.820 -0.034 0.000 1.975 109 A HA 0.031 nan 4.320 nan 0.000 0.215 109 A C -0.429 177.137 177.584 -0.029 0.000 1.170 109 A CA 0.943 52.963 52.037 -0.029 0.000 0.656 109 A CB 0.476 19.464 19.000 -0.020 0.000 0.821 109 A HN 0.483 8.616 8.150 -0.028 0.000 0.449 110 D N -1.498 118.884 120.400 -0.029 0.000 2.349 110 D HA 0.375 nan 4.640 nan 0.000 0.232 110 D C -1.568 174.708 176.300 -0.040 0.000 1.071 110 D CA -3.052 50.934 54.000 -0.023 0.000 0.832 110 D CB 1.138 41.933 40.800 -0.009 0.000 1.086 110 D HN -0.379 7.975 8.370 -0.028 0.000 0.504 111 P HA -0.205 nan 4.420 nan 0.000 0.217 111 P C 0.749 178.009 177.300 -0.068 0.000 1.151 111 P CA 2.112 65.154 63.100 -0.097 0.000 0.849 111 P CB 0.296 31.962 31.700 -0.057 0.000 0.787 112 L N -5.746 115.486 121.223 0.015 0.000 2.275 112 L HA -0.273 nan 4.340 nan 0.000 0.215 112 L C 1.521 178.435 176.870 0.074 0.000 1.119 112 L CA 1.899 56.787 54.840 0.080 0.000 0.790 112 L CB -0.400 41.706 42.059 0.078 0.000 0.919 112 L HN -0.776 7.667 8.230 0.012 -0.206 0.443 113 E N -3.439 116.773 120.200 0.020 0.000 2.502 113 E HA -0.175 nan 4.350 nan 0.000 0.194 113 E C -0.167 176.432 176.600 -0.002 0.000 1.062 113 E CA -0.325 56.086 56.400 0.018 0.000 0.867 113 E CB -0.256 29.445 29.700 0.001 0.000 0.888 113 E HN -0.601 7.602 8.360 -0.004 0.155 0.510 114 Q N 0.343 120.108 119.800 -0.059 0.000 2.311 114 Q HA -0.093 nan 4.340 nan 0.000 0.272 114 Q C -0.487 175.533 176.000 0.033 0.000 1.012 114 Q CA 0.142 55.870 55.803 -0.125 0.000 0.891 114 Q CB 1.305 29.759 28.738 -0.473 0.000 1.201 114 Q HN -0.425 7.625 8.270 -0.074 0.176 0.391 115 G N 0.955 109.770 108.800 0.026 0.000 2.634 115 G HA2 0.197 nan 3.960 nan 0.000 0.255 115 G HA3 0.197 nan 3.960 nan 0.000 0.255 115 G C -2.001 172.962 174.900 0.105 0.000 1.205 115 G CA -0.738 44.404 45.100 0.070 0.000 0.884 115 G HN 0.190 8.468 8.290 -0.021 0.000 0.549 116 A N -0.808 122.065 122.820 0.088 0.000 2.301 116 A HA 0.375 nan 4.320 nan 0.000 0.298 116 A C -0.654 176.941 177.584 0.018 0.000 1.185 116 A CA -0.951 51.107 52.037 0.036 0.000 0.830 116 A CB 1.670 20.677 19.000 0.013 0.000 1.112 116 A HN 0.201 8.318 8.150 0.090 0.088 0.508 117 G N 1.720 110.516 108.800 -0.007 0.000 2.696 117 G HA2 0.063 nan 3.960 nan 0.000 0.329 117 G HA3 0.063 nan 3.960 nan 0.000 0.329 117 G C -2.055 172.819 174.900 -0.042 0.000 0.973 117 G CA -0.862 44.231 45.100 -0.011 0.000 1.257 117 G HN 0.596 8.867 8.290 -0.031 0.000 0.456 118 D N 1.764 122.151 120.400 -0.022 0.000 10.686 118 D HA -0.269 nan 4.640 nan 0.000 0.307 118 D C -1.699 174.599 176.300 -0.004 0.000 3.131 118 D CA 0.181 54.171 54.000 -0.016 0.000 2.839 118 D CB 1.445 42.229 40.800 -0.027 0.000 1.208 118 D HN -0.668 7.650 8.370 -0.006 0.048 0.940 119 Q N 3.294 123.108 119.800 0.022 0.000 2.631 119 Q HA 0.071 nan 4.340 nan 0.000 0.210 119 Q C -0.829 175.205 176.000 0.056 0.000 1.094 119 Q CA 0.308 56.143 55.803 0.054 0.000 1.055 119 Q CB 0.798 29.562 28.738 0.043 0.000 1.261 119 Q HN 0.229 8.508 8.270 0.015 0.000 0.615 120 G N -2.731 106.123 108.800 0.090 0.000 2.350 120 G HA2 0.111 nan 3.960 nan 0.000 0.282 120 G HA3 0.111 nan 3.960 nan 0.000 0.282 120 G C -3.047 171.906 174.900 0.088 0.000 1.314 120 G CA -0.352 44.792 45.100 0.074 0.000 0.915 120 G HN -0.030 8.325 8.290 0.109 0.000 0.499 121 L N -4.386 116.875 121.223 0.062 0.000 2.401 121 L HA 1.035 nan 4.340 nan 0.000 0.266 121 L C -2.015 174.874 176.870 0.031 0.000 0.991 121 L CA -1.003 53.840 54.840 0.006 0.000 0.818 121 L CB 3.115 45.139 42.059 -0.058 0.000 1.321 121 L HN 0.189 8.458 8.230 0.066 0.000 0.413 122 M N -1.818 117.772 119.600 -0.017 0.000 2.446 122 M HA 0.434 nan 4.480 nan 0.000 0.294 122 M C -1.576 174.727 176.300 0.005 0.000 1.158 122 M CA -1.061 54.283 55.300 0.073 0.000 0.899 122 M CB 4.337 37.017 32.600 0.134 0.000 1.687 122 M HN 0.310 8.540 8.290 -0.099 0.000 0.455 123 F N 0.810 120.804 119.950 0.073 0.000 2.520 123 F HA 0.781 nan 4.527 nan 0.000 0.322 123 F C -0.274 175.630 175.800 0.174 0.000 1.103 123 F CA -0.968 57.088 58.000 0.095 0.000 0.926 123 F CB 4.109 43.163 39.000 0.090 0.000 1.154 123 F HN 0.175 8.697 8.300 0.369 0.000 0.453 124 G N 1.018 110.013 108.800 0.325 0.000 2.533 124 G HA2 0.441 nan 3.960 nan 0.000 0.304 124 G HA3 0.441 nan 3.960 nan 0.000 0.304 124 G C -3.209 171.731 174.900 0.067 0.000 1.263 124 G CA -1.647 43.592 45.100 0.232 0.000 0.964 124 G HN 0.330 8.796 8.290 0.293 0.000 0.479 125 Y N 0.683 120.751 120.300 -0.388 0.000 2.597 125 Y HA 0.747 nan 4.550 nan 0.000 0.340 125 Y C -2.830 172.941 175.900 -0.214 0.000 1.097 125 Y CA -1.040 56.797 58.100 -0.439 0.000 1.037 125 Y CB 4.015 41.921 38.460 -0.924 0.000 1.305 125 Y HN -0.081 8.171 8.280 -0.047 0.000 0.463 126 A N 1.301 123.859 122.820 -0.436 0.000 2.609 126 A HA 0.748 nan 4.320 nan 0.000 0.291 126 A C -2.925 174.369 177.584 -0.483 0.000 1.096 126 A CA -0.657 51.246 52.037 -0.224 0.000 0.684 126 A CB 3.924 22.859 19.000 -0.108 0.000 1.282 126 A HN 0.384 8.019 8.150 -0.859 0.000 0.412 127 T N -2.017 112.435 114.554 -0.170 0.000 2.932 127 T HA 0.500 nan 4.350 nan 0.000 0.318 127 T C -0.463 174.224 174.700 -0.022 0.000 1.265 127 T CA -1.540 60.478 62.100 -0.138 0.000 1.036 127 T CB 2.411 71.293 68.868 0.024 0.000 1.209 127 T HN 0.060 8.176 8.240 -0.023 0.111 0.484 128 N N 5.065 123.756 118.700 -0.016 0.000 2.461 128 N HA -0.021 nan 4.740 nan 0.000 0.188 128 N C 1.164 176.703 175.510 0.048 0.000 1.134 128 N CA 0.881 53.941 53.050 0.015 0.000 0.878 128 N CB -0.389 38.103 38.487 0.008 0.000 0.972 128 N HN 0.455 8.816 8.380 -0.033 0.000 0.456 129 E N -0.333 119.902 120.200 0.059 0.000 2.236 129 E HA -0.364 nan 4.350 nan 0.000 0.205 129 E C 0.148 176.821 176.600 0.121 0.000 1.028 129 E CA 2.167 58.614 56.400 0.079 0.000 0.827 129 E CB 0.058 29.797 29.700 0.066 0.000 0.735 129 E HN -0.462 7.889 8.360 0.048 0.037 0.470 130 T N -7.989 106.635 114.554 0.117 0.000 2.910 130 T HA 0.285 nan 4.350 nan 0.000 0.287 130 T C 0.722 175.481 174.700 0.099 0.000 1.050 130 T CA -2.431 59.751 62.100 0.137 0.000 1.011 130 T CB 2.665 71.615 68.868 0.138 0.000 1.195 130 T HN -0.783 7.493 8.240 0.100 0.024 0.540 131 D N 1.411 121.871 120.400 0.100 0.000 2.149 131 D HA -0.361 nan 4.640 nan 0.000 0.194 131 D C 0.847 177.183 176.300 0.060 0.000 1.001 131 D CA 2.677 56.719 54.000 0.071 0.000 0.849 131 D CB -0.923 39.919 40.800 0.071 0.000 0.939 131 D HN 0.502 8.949 8.370 0.128 0.000 0.449 132 V N -8.043 111.914 119.914 0.070 0.000 3.633 132 V HA 0.209 nan 4.120 nan 0.000 0.283 132 V C 0.042 176.188 176.094 0.087 0.000 1.305 132 V CA -1.111 61.232 62.300 0.072 0.000 1.153 132 V CB -0.704 31.168 31.823 0.081 0.000 0.950 132 V HN -0.804 7.427 8.190 0.079 0.006 0.432 133 L N -3.905 117.367 121.223 0.082 0.000 4.040 133 L HA -0.463 nan 4.340 nan 0.000 0.410 133 L C -0.430 176.522 176.870 0.137 0.000 1.187 133 L CA 1.312 56.200 54.840 0.080 0.000 0.956 133 L CB -2.844 39.241 42.059 0.044 0.000 2.022 133 L HN 0.318 8.386 8.230 0.073 0.206 0.897 134 M N -0.995 118.709 119.600 0.174 0.000 2.613 134 M HA 0.429 nan 4.480 nan 0.000 0.301 134 M C -1.832 174.600 176.300 0.220 0.000 1.205 134 M CA -2.845 52.612 55.300 0.261 0.000 0.950 134 M CB -0.079 32.676 32.600 0.259 0.000 1.585 134 M HN -0.251 8.091 8.290 0.141 0.032 0.490 135 P HA -0.039 nan 4.420 nan 0.000 0.268 135 P C -0.774 176.547 177.300 0.035 0.000 1.205 135 P CA 0.358 63.531 63.100 0.121 0.000 0.771 135 P CB 0.192 31.938 31.700 0.076 0.000 0.858 136 A N 4.935 127.712 122.820 -0.072 0.000 1.933 136 A HA -0.218 nan 4.320 nan 0.000 0.218 136 A C -0.601 176.891 177.584 -0.153 0.000 1.175 136 A CA 4.776 56.739 52.037 -0.122 0.000 0.628 136 A CB -2.452 16.355 19.000 -0.322 0.000 0.814 136 A HN 0.526 8.949 8.150 -0.087 -0.326 0.444 137 P HA -0.264 nan 4.420 nan 0.000 0.210 137 P C 1.027 178.409 177.300 0.137 0.000 1.189 137 P CA 3.119 66.249 63.100 0.050 0.000 0.920 137 P CB -0.392 31.395 31.700 0.144 0.000 0.782 138 I N -3.283 117.330 120.570 0.072 0.000 2.194 138 I HA -0.491 nan 4.170 nan 0.000 0.246 138 I C 1.415 177.522 176.117 -0.016 0.000 1.093 138 I CA 3.004 64.293 61.300 -0.018 0.000 1.355 138 I CB -0.284 37.742 38.000 0.044 0.000 1.046 138 I HN -0.150 8.117 8.210 0.095 0.000 0.413 139 T N 2.869 117.433 114.554 0.017 0.000 2.665 139 T HA -0.389 nan 4.350 nan 0.000 0.268 139 T C 2.175 176.757 174.700 -0.196 0.000 1.035 139 T CA 5.445 67.489 62.100 -0.093 0.000 1.151 139 T CB -0.570 68.133 68.868 -0.276 0.000 0.862 139 T HN -0.404 7.851 8.240 0.026 0.000 0.438 140 Y N 0.702 121.148 120.300 0.243 0.000 2.243 140 Y HA -0.273 nan 4.550 nan 0.000 0.293 140 Y C 1.426 177.455 175.900 0.214 0.000 1.124 140 Y CA 2.574 60.843 58.100 0.280 0.000 1.159 140 Y CB -0.794 37.920 38.460 0.423 0.000 1.008 140 Y HN -0.143 8.101 8.280 0.103 0.098 0.527 141 A N -0.262 122.705 122.820 0.246 0.000 1.903 141 A HA -0.483 nan 4.320 nan 0.000 0.219 141 A C 2.362 180.030 177.584 0.140 0.000 1.191 141 A CA 3.371 55.492 52.037 0.140 0.000 0.638 141 A CB -1.145 17.863 19.000 0.013 0.000 0.823 141 A HN 0.609 8.919 8.150 0.266 0.000 0.451 142 H N -1.481 117.684 119.070 0.158 0.000 2.321 142 H HA -0.344 nan 4.556 nan 0.000 0.300 142 H C 2.701 178.093 175.328 0.107 0.000 1.087 142 H CA 3.583 59.728 56.048 0.162 0.000 1.319 142 H CB 0.010 29.865 29.762 0.155 0.000 1.379 142 H HN -0.194 8.091 8.280 0.015 0.004 0.501 143 R N -0.747 119.880 120.500 0.211 0.000 2.120 143 R HA -0.366 nan 4.340 nan 0.000 0.234 143 R C 2.489 178.866 176.300 0.128 0.000 1.123 143 R CA 3.377 59.556 56.100 0.132 0.000 0.975 143 R CB -0.344 30.047 30.300 0.152 0.000 0.866 143 R HN -0.289 8.021 8.270 0.200 0.080 0.446 144 L N -0.592 120.742 121.223 0.186 0.000 1.976 144 L HA -0.254 nan 4.340 nan 0.000 0.209 144 L C 2.283 179.226 176.870 0.121 0.000 1.071 144 L CA 3.207 58.146 54.840 0.164 0.000 0.746 144 L CB -1.042 41.137 42.059 0.199 0.000 0.890 144 L HN 0.233 8.587 8.230 0.230 0.013 0.432 145 V N -4.071 115.935 119.914 0.153 0.000 2.490 145 V HA -0.473 nan 4.120 nan 0.000 0.250 145 V C 1.988 178.101 176.094 0.032 0.000 1.061 145 V CA 3.744 66.143 62.300 0.165 0.000 1.064 145 V CB -1.207 30.796 31.823 0.300 0.000 0.670 145 V HN -0.391 7.913 8.190 0.190 0.000 0.461 146 Q N 1.447 121.164 119.800 -0.138 0.000 2.079 146 Q HA -0.382 nan 4.340 nan 0.000 0.200 146 Q C 1.972 177.815 176.000 -0.262 0.000 0.974 146 Q CA 3.539 59.034 55.803 -0.514 0.000 0.840 146 Q CB -0.117 28.312 28.738 -0.515 0.000 0.898 146 Q HN 0.386 8.549 8.270 -0.016 0.097 0.430 147 R N 0.096 120.531 120.500 -0.109 0.000 2.073 147 R HA -0.405 nan 4.340 nan 0.000 0.234 147 R C 1.987 178.253 176.300 -0.057 0.000 1.134 147 R CA 3.355 59.419 56.100 -0.061 0.000 0.952 147 R CB -0.572 29.727 30.300 -0.003 0.000 0.850 147 R HN 0.062 8.191 8.270 -0.060 0.104 0.433 148 Q N -0.794 118.991 119.800 -0.025 0.000 2.062 148 Q HA -0.371 nan 4.340 nan 0.000 0.209 148 Q C 2.131 178.101 176.000 -0.049 0.000 0.996 148 Q CA 3.290 59.081 55.803 -0.021 0.000 0.859 148 Q CB -0.162 28.595 28.738 0.032 0.000 0.920 148 Q HN -0.067 8.203 8.270 0.000 0.000 0.415 149 A N -1.452 121.347 122.820 -0.036 0.000 1.902 149 A HA -0.335 nan 4.320 nan 0.000 0.217 149 A C 1.872 179.419 177.584 -0.061 0.000 1.181 149 A CA 2.985 55.005 52.037 -0.028 0.000 0.623 149 A CB -1.109 17.916 19.000 0.041 0.000 0.818 149 A HN -0.380 7.744 8.150 -0.042 0.000 0.443 150 E N -0.898 119.250 120.200 -0.086 0.000 2.065 150 E HA -0.428 nan 4.350 nan 0.000 0.201 150 E C 2.282 178.836 176.600 -0.076 0.000 1.016 150 E CA 3.389 59.743 56.400 -0.077 0.000 0.818 150 E CB 0.153 29.803 29.700 -0.083 0.000 0.749 150 E HN -0.243 7.979 8.360 -0.112 0.070 0.453 151 V N -0.929 118.932 119.914 -0.089 0.000 2.667 151 V HA -0.322 nan 4.120 nan 0.000 0.252 151 V C 2.096 178.099 176.094 -0.151 0.000 1.065 151 V CA 3.812 66.045 62.300 -0.112 0.000 1.083 151 V CB -0.979 30.774 31.823 -0.116 0.000 0.692 151 V HN 0.114 8.253 8.190 -0.085 0.000 0.468 152 R N -0.206 120.204 120.500 -0.150 0.000 2.066 152 R HA -0.320 nan 4.340 nan 0.000 0.232 152 R C 2.692 178.920 176.300 -0.121 0.000 1.131 152 R CA 3.793 59.794 56.100 -0.166 0.000 0.955 152 R CB -0.224 29.994 30.300 -0.136 0.000 0.851 152 R HN 0.074 8.169 8.270 -0.124 0.100 0.432 153 K N -1.526 118.821 120.400 -0.087 0.000 2.243 153 K HA -0.121 nan 4.320 nan 0.000 0.201 153 K C 1.139 177.705 176.600 -0.056 0.000 1.051 153 K CA 2.228 58.480 56.287 -0.060 0.000 0.970 153 K CB 0.321 32.799 32.500 -0.037 0.000 0.755 153 K HN 0.062 8.126 8.250 -0.085 0.135 0.465 154 N N -3.072 115.590 118.700 -0.064 0.000 2.279 154 N HA 0.046 nan 4.740 nan 0.000 0.226 154 N C 0.499 175.975 175.510 -0.057 0.000 1.126 154 N CA -1.054 51.964 53.050 -0.053 0.000 0.846 154 N CB -0.416 38.042 38.487 -0.049 0.000 1.050 154 N HN -0.267 8.040 8.380 -0.076 0.027 0.502 155 G N -0.599 108.159 108.800 -0.070 0.000 2.267 155 G HA2 -0.397 nan 3.960 nan 0.000 0.257 155 G HA3 -0.397 nan 3.960 nan 0.000 0.257 155 G C 0.595 175.454 174.900 -0.068 0.000 0.998 155 G CA 1.237 46.301 45.100 -0.060 0.000 0.620 155 G HN -0.370 7.870 8.290 -0.084 0.000 0.529 156 T N 3.226 117.733 114.554 -0.079 0.000 2.622 156 T HA -0.262 nan 4.350 nan 0.000 0.266 156 T C 0.612 175.241 174.700 -0.119 0.000 1.047 156 T CA 3.360 65.415 62.100 -0.075 0.000 1.159 156 T CB 0.279 69.100 68.868 -0.077 0.000 0.863 156 T HN -0.550 7.728 8.240 -0.077 -0.085 0.422 157 L N -0.693 120.386 121.223 -0.240 0.000 2.679 157 L HA 0.630 nan 4.340 nan 0.000 0.238 157 L C -1.782 174.713 176.870 -0.624 0.000 1.330 157 L CA -2.818 51.721 54.840 -0.502 0.000 0.935 157 L CB 0.733 42.387 42.059 -0.676 0.000 1.243 157 L HN -0.398 7.698 8.230 -0.222 0.000 0.484 158 P HA -0.068 nan 4.420 nan 0.000 0.251 158 P C -0.950 176.273 177.300 -0.129 0.000 1.251 158 P CA 0.994 63.980 63.100 -0.190 0.000 0.763 158 P CB -0.437 31.226 31.700 -0.063 0.000 1.067 159 W N -4.973 116.332 121.300 0.008 0.000 3.003 159 W HA 0.022 nan 4.660 nan 0.000 0.257 159 W C -0.925 175.611 176.519 0.030 0.000 1.308 159 W CA -2.331 55.027 57.345 0.022 0.000 1.529 159 W CB -0.754 28.724 29.460 0.030 0.000 1.115 159 W HN -0.694 6.738 8.180 -1.105 0.085 0.659 160 L N 1.023 122.069 121.223 -0.295 0.000 2.506 160 L HA -0.262 nan 4.340 nan 0.000 0.281 160 L C -0.212 176.596 176.870 -0.103 0.000 1.228 160 L CA 0.645 55.374 54.840 -0.185 0.000 0.850 160 L CB -0.361 41.489 42.059 -0.348 0.000 1.110 160 L HN -0.486 7.303 8.230 -0.661 0.044 0.496 161 R N 2.574 123.006 120.500 -0.113 0.000 2.943 161 R HA 0.377 nan 4.340 nan 0.000 0.246 161 R C -1.417 174.748 176.300 -0.224 0.000 1.201 161 R CA -2.656 53.342 56.100 -0.171 0.000 1.056 161 R CB 0.636 30.838 30.300 -0.164 0.000 1.243 161 R HN 0.094 8.218 8.270 -0.109 0.080 0.498 162 P HA -0.168 nan 4.420 nan 0.000 0.219 162 P C -1.140 176.109 177.300 -0.085 0.000 1.150 162 P CA 1.709 64.631 63.100 -0.296 0.000 0.814 162 P CB 0.377 31.658 31.700 -0.698 0.000 0.787 163 D N -3.222 117.154 120.400 -0.039 0.000 2.210 163 D HA 0.281 nan 4.640 nan 0.000 0.249 163 D C -2.138 174.260 176.300 0.163 0.000 1.062 163 D CA -0.496 53.580 54.000 0.127 0.000 0.891 163 D CB 1.609 42.522 40.800 0.188 0.000 1.186 163 D HN -0.349 7.934 8.370 -0.145 0.000 0.432 164 A N 2.037 125.022 122.820 0.276 0.000 2.590 164 A HA 0.492 nan 4.320 nan 0.000 0.294 164 A C -2.631 175.130 177.584 0.295 0.000 1.046 164 A CA 0.079 52.303 52.037 0.312 0.000 0.684 164 A CB 3.256 22.386 19.000 0.216 0.000 1.279 164 A HN -0.259 8.064 8.150 0.288 0.000 0.415 165 K N -0.852 119.706 120.400 0.264 0.000 2.422 165 K HA 0.771 nan 4.320 nan 0.000 0.251 165 K C -1.573 175.135 176.600 0.179 0.000 0.933 165 K CA -1.716 54.694 56.287 0.205 0.000 0.798 165 K CB 4.186 36.786 32.500 0.165 0.000 1.238 165 K HN 0.044 8.461 8.250 0.277 0.000 0.428 166 S N 0.949 116.743 115.700 0.157 0.000 2.566 166 S HA 0.690 nan 4.470 nan 0.000 0.298 166 S C -1.758 172.912 174.600 0.118 0.000 1.083 166 S CA -1.920 56.371 58.200 0.152 0.000 0.978 166 S CB 3.085 66.387 63.200 0.169 0.000 1.073 166 S HN 0.618 9.016 8.310 0.146 0.000 0.491 167 Q N 1.967 121.839 119.800 0.121 0.000 2.567 167 Q HA 0.354 nan 4.340 nan 0.000 0.233 167 Q C -2.172 173.895 176.000 0.111 0.000 0.833 167 Q CA 0.018 55.875 55.803 0.091 0.000 0.844 167 Q CB 3.633 32.400 28.738 0.048 0.000 1.423 167 Q HN 0.220 8.575 8.270 0.143 0.000 0.442 168 V N 7.270 127.272 119.914 0.147 0.000 2.607 168 V HA 0.587 nan 4.120 nan 0.000 0.289 168 V C -1.907 174.294 176.094 0.180 0.000 1.053 168 V CA -0.852 61.552 62.300 0.174 0.000 0.996 168 V CB 0.938 32.958 31.823 0.328 0.000 0.995 168 V HN 0.133 8.415 8.190 0.154 0.000 0.476 169 T N 5.744 120.365 114.554 0.112 0.000 2.840 169 T HA 0.654 nan 4.350 nan 0.000 0.287 169 T C -1.891 172.895 174.700 0.144 0.000 0.991 169 T CA -1.958 60.221 62.100 0.132 0.000 0.964 169 T CB 1.611 70.502 68.868 0.039 0.000 0.954 169 T HN 0.401 8.651 8.240 0.017 0.000 0.438 170 F N 6.653 126.641 119.950 0.064 0.000 2.507 170 F HA 0.723 nan 4.527 nan 0.000 0.327 170 F C -2.191 173.684 175.800 0.125 0.000 1.068 170 F CA -1.346 56.679 58.000 0.041 0.000 0.965 170 F CB 4.385 43.433 39.000 0.080 0.000 1.192 170 F HN 0.985 9.536 8.300 0.418 0.000 0.476 171 Q N 1.250 121.193 119.800 0.239 0.000 2.330 171 Q HA 0.636 nan 4.340 nan 0.000 0.269 171 Q C -1.880 174.246 176.000 0.211 0.000 1.022 171 Q CA -1.496 54.442 55.803 0.224 0.000 0.796 171 Q CB 3.695 32.483 28.738 0.083 0.000 1.271 171 Q HN 0.735 9.055 8.270 0.083 0.000 0.450 172 Y N 5.073 125.450 120.300 0.128 0.000 2.593 172 Y HA 0.755 nan 4.550 nan 0.000 0.330 172 Y C -1.201 174.772 175.900 0.121 0.000 1.223 172 Y CA -1.638 56.544 58.100 0.136 0.000 1.350 172 Y CB 2.572 41.184 38.460 0.254 0.000 1.499 172 Y HN 0.450 9.062 8.280 0.553 0.000 0.554 173 D N -2.291 118.242 120.400 0.221 0.000 2.812 173 D HA 0.056 nan 4.640 nan 0.000 0.210 173 D C -2.407 173.922 176.300 0.049 0.000 1.260 173 D CA -0.476 53.580 54.000 0.093 0.000 0.817 173 D CB 3.742 44.578 40.800 0.060 0.000 1.694 173 D HN 0.249 8.736 8.370 0.195 0.000 0.530 174 D N 4.641 125.031 120.400 -0.017 0.000 2.472 174 D HA -0.163 nan 4.640 nan 0.000 0.248 174 D C 1.051 177.364 176.300 0.021 0.000 1.174 174 D CA 1.276 55.239 54.000 -0.063 0.000 0.883 174 D CB -0.667 40.072 40.800 -0.101 0.000 1.149 174 D HN 0.372 8.769 8.370 -0.019 -0.039 0.488 175 G N 2.224 111.086 108.800 0.104 0.000 2.302 175 G HA2 -0.486 nan 3.960 nan 0.000 0.263 175 G HA3 -0.486 nan 3.960 nan 0.000 0.263 175 G C -0.687 174.300 174.900 0.145 0.000 0.995 175 G CA 0.683 45.881 45.100 0.163 0.000 0.622 175 G HN 0.599 8.956 8.290 0.111 0.000 0.538 176 K N 0.837 121.283 120.400 0.075 0.000 2.183 176 K HA 0.276 nan 4.320 nan 0.000 0.274 176 K C -0.663 175.834 176.600 -0.171 0.000 1.009 176 K CA -1.703 54.571 56.287 -0.021 0.000 0.888 176 K CB 1.110 33.617 32.500 0.011 0.000 1.078 176 K HN -0.231 7.976 8.250 0.079 0.090 0.459 177 I N 4.551 124.892 120.570 -0.382 0.000 2.662 177 I HA -0.284 nan 4.170 nan 0.000 0.285 177 I C -0.077 175.878 176.117 -0.270 0.000 1.161 177 I CA 1.570 62.511 61.300 -0.598 0.000 1.415 177 I CB -0.240 37.383 38.000 -0.629 0.000 1.385 177 I HN 0.496 8.545 8.210 -0.268 0.000 0.552 178 V N 8.228 128.008 119.914 -0.223 0.000 2.492 178 V HA 0.104 nan 4.120 nan 0.000 0.241 178 V C 0.051 176.042 176.094 -0.172 0.000 1.041 178 V CA 0.926 63.166 62.300 -0.100 0.000 1.057 178 V CB 0.992 32.802 31.823 -0.021 0.000 0.711 178 V HN 0.662 8.602 8.190 -0.231 0.112 0.468 179 G N -3.602 105.006 108.800 -0.320 0.000 2.321 179 G HA2 0.124 nan 3.960 nan 0.000 0.296 179 G HA3 0.124 nan 3.960 nan 0.000 0.296 179 G C -3.217 171.373 174.900 -0.516 0.000 1.287 179 G CA 0.804 45.670 45.100 -0.391 0.000 0.846 179 G HN -0.305 7.819 8.290 -0.278 0.000 0.508 180 I N -0.159 120.124 120.570 -0.479 0.000 2.359 180 I HA 0.302 nan 4.170 nan 0.000 0.284 180 I C -1.081 174.828 176.117 -0.347 0.000 1.018 180 I CA -0.678 60.277 61.300 -0.576 0.000 1.173 180 I CB 1.226 38.840 38.000 -0.644 0.000 1.326 180 I HN 0.244 8.270 8.210 -0.306 0.000 0.462 181 D N 9.488 129.746 120.400 -0.236 0.000 2.091 181 D HA -0.142 nan 4.640 nan 0.000 0.199 181 D C -1.244 174.939 176.300 -0.196 0.000 0.980 181 D CA 3.001 56.905 54.000 -0.159 0.000 0.831 181 D CB 1.423 42.181 40.800 -0.069 0.000 0.987 181 D HN 0.153 8.399 8.370 -0.207 0.000 0.460 182 A N -4.657 118.063 122.820 -0.166 0.000 2.539 182 A HA 0.660 nan 4.320 nan 0.000 0.296 182 A C -2.528 174.980 177.584 -0.127 0.000 1.073 182 A CA -0.849 51.099 52.037 -0.148 0.000 0.700 182 A CB 3.579 22.622 19.000 0.073 0.000 1.296 182 A HN -0.779 7.293 8.150 -0.130 0.000 0.405 183 V N 1.637 121.475 119.914 -0.126 0.000 2.409 183 V HA 0.500 nan 4.120 nan 0.000 0.290 183 V C -1.158 175.074 176.094 0.229 0.000 1.017 183 V CA -0.821 61.489 62.300 0.017 0.000 0.841 183 V CB 1.452 33.239 31.823 -0.059 0.000 1.003 183 V HN 0.208 8.294 8.190 -0.175 0.000 0.426 184 V N 7.898 127.953 119.914 0.235 0.000 2.644 184 V HA 0.834 nan 4.120 nan 0.000 0.295 184 V C -1.741 174.487 176.094 0.222 0.000 1.053 184 V CA -1.080 61.377 62.300 0.263 0.000 0.987 184 V CB 0.904 32.817 31.823 0.149 0.000 1.006 184 V HN 0.699 8.880 8.190 0.172 0.112 0.472 185 L N 6.413 127.773 121.223 0.228 0.000 2.562 185 L HA 0.648 nan 4.340 nan 0.000 0.266 185 L C -2.615 174.387 176.870 0.220 0.000 0.949 185 L CA -0.486 54.480 54.840 0.210 0.000 0.879 185 L CB 3.720 45.903 42.059 0.208 0.000 1.278 185 L HN 0.731 9.110 8.230 0.249 0.000 0.404 186 S N 6.554 122.396 115.700 0.237 0.000 2.672 186 S HA 0.586 nan 4.470 nan 0.000 0.291 186 S C -2.428 172.410 174.600 0.398 0.000 1.145 186 S CA -0.798 57.583 58.200 0.301 0.000 1.013 186 S CB 2.896 66.236 63.200 0.232 0.000 1.017 186 S HN 0.485 8.934 8.310 0.230 0.000 0.487 187 T N 4.380 119.173 114.554 0.398 0.000 2.893 187 T HA 0.611 nan 4.350 nan 0.000 0.291 187 T C -1.962 172.776 174.700 0.062 0.000 1.028 187 T CA -1.818 60.427 62.100 0.242 0.000 0.995 187 T CB 2.554 71.529 68.868 0.179 0.000 1.051 187 T HN 0.696 9.543 8.240 0.412 -0.360 0.470 188 Q N 5.505 125.027 119.800 -0.464 0.000 2.306 188 Q HA 0.591 nan 4.340 nan 0.000 0.241 188 Q C -1.071 174.758 176.000 -0.284 0.000 0.948 188 Q CA -0.243 54.983 55.803 -0.961 0.000 0.886 188 Q CB 1.852 29.929 28.738 -1.103 0.000 1.227 188 Q HN 0.123 8.213 8.270 -0.301 0.000 0.457 189 H N -0.792 118.196 119.070 -0.137 0.000 2.948 189 H HA 0.611 nan 4.556 nan 0.000 0.315 189 H C -1.869 173.504 175.328 0.074 0.000 1.360 189 H CA -1.887 54.212 56.048 0.084 0.000 1.125 189 H CB 3.428 33.355 29.762 0.274 0.000 1.844 189 H HN 0.313 8.133 8.280 -0.765 0.000 0.529 190 S N -0.826 115.051 115.700 0.294 0.000 2.681 190 S HA 0.092 nan 4.470 nan 0.000 0.270 190 S C 1.571 176.324 174.600 0.255 0.000 1.209 190 S CA -1.374 56.943 58.200 0.195 0.000 0.988 190 S CB 1.853 65.165 63.200 0.187 0.000 1.006 190 S HN 0.104 8.668 8.310 0.423 0.000 0.558 191 E N 1.116 121.400 120.200 0.140 0.000 2.209 191 E HA -0.298 nan 4.350 nan 0.000 0.196 191 E C 0.756 177.395 176.600 0.064 0.000 0.993 191 E CA 2.536 58.998 56.400 0.104 0.000 0.819 191 E CB -0.841 28.899 29.700 0.067 0.000 0.745 191 E HN 0.583 9.003 8.360 0.101 0.000 0.477 192 E N -2.189 118.049 120.200 0.063 0.000 2.164 192 E HA -0.269 nan 4.350 nan 0.000 0.206 192 E C 0.294 176.833 176.600 -0.101 0.000 1.032 192 E CA 1.724 58.125 56.400 0.003 0.000 0.832 192 E CB -0.099 29.621 29.700 0.034 0.000 0.742 192 E HN 0.036 8.451 8.360 0.092 0.000 0.460 193 I N -1.652 118.819 120.570 -0.166 0.000 2.509 193 I HA 0.059 nan 4.170 nan 0.000 0.293 193 I C -1.672 174.243 176.117 -0.336 0.000 1.020 193 I CA -1.463 59.594 61.300 -0.405 0.000 1.088 193 I CB 1.448 38.999 38.000 -0.747 0.000 1.267 193 I HN -0.804 7.324 8.210 -0.059 0.046 0.430 194 D N 4.936 125.158 120.400 -0.296 0.000 2.440 194 D HA 0.234 nan 4.640 nan 0.000 0.258 194 D C 0.452 176.602 176.300 -0.249 0.000 1.092 194 D CA -1.248 52.617 54.000 -0.226 0.000 1.016 194 D CB 3.261 43.986 40.800 -0.125 0.000 1.141 194 D HN -0.273 7.931 8.370 -0.276 0.000 0.552 195 Q N 0.703 120.403 119.800 -0.167 0.000 2.119 195 Q HA -0.207 nan 4.340 nan 0.000 0.201 195 Q C 1.661 177.593 176.000 -0.114 0.000 0.972 195 Q CA 3.449 59.167 55.803 -0.140 0.000 0.847 195 Q CB -0.078 28.626 28.738 -0.056 0.000 0.903 195 Q HN 0.490 8.691 8.270 -0.115 0.000 0.433 196 K N -0.616 119.726 120.400 -0.097 0.000 2.063 196 K HA -0.349 nan 4.320 nan 0.000 0.208 196 K C 1.958 178.498 176.600 -0.101 0.000 1.048 196 K CA 3.245 59.485 56.287 -0.078 0.000 0.928 196 K CB -0.851 31.611 32.500 -0.063 0.000 0.713 196 K HN 0.325 8.521 8.250 -0.091 0.000 0.442 197 S N -0.099 115.508 115.700 -0.154 0.000 2.368 197 S HA -0.296 nan 4.470 nan 0.000 0.225 197 S C 2.091 176.553 174.600 -0.232 0.000 1.030 197 S CA 3.430 61.512 58.200 -0.196 0.000 0.999 197 S CB -0.495 62.551 63.200 -0.256 0.000 0.844 197 S HN -0.692 7.513 8.310 -0.166 0.005 0.459 198 L N 2.292 123.321 121.223 -0.323 0.000 1.994 198 L HA -0.423 nan 4.340 nan 0.000 0.208 198 L C 1.166 178.058 176.870 0.037 0.000 1.071 198 L CA 3.463 58.176 54.840 -0.211 0.000 0.745 198 L CB -0.202 41.711 42.059 -0.243 0.000 0.892 198 L HN -0.190 7.836 8.230 -0.341 0.000 0.431 199 Q N -1.956 117.838 119.800 -0.009 0.000 2.112 199 Q HA -0.515 nan 4.340 nan 0.000 0.206 199 Q C 2.920 178.918 176.000 -0.003 0.000 0.987 199 Q CA 3.455 59.263 55.803 0.008 0.000 0.858 199 Q CB -0.299 28.430 28.738 -0.014 0.000 0.905 199 Q HN 0.349 8.587 8.270 -0.054 0.000 0.420 200 E N -0.657 119.534 120.200 -0.015 0.000 2.051 200 E HA -0.325 nan 4.350 nan 0.000 0.192 200 E C 1.996 178.618 176.600 0.036 0.000 0.991 200 E CA 2.969 59.362 56.400 -0.010 0.000 0.799 200 E CB -0.432 29.260 29.700 -0.014 0.000 0.748 200 E HN -0.216 8.124 8.360 -0.034 0.000 0.449 201 A N -0.734 122.155 122.820 0.114 0.000 1.873 201 A HA -0.195 nan 4.320 nan 0.000 0.215 201 A C 2.278 179.944 177.584 0.137 0.000 1.186 201 A CA 3.322 55.473 52.037 0.191 0.000 0.616 201 A CB -0.544 18.742 19.000 0.476 0.000 0.823 201 A HN -0.463 7.753 8.150 0.110 0.000 0.442 202 V N -1.354 118.655 119.914 0.158 0.000 2.759 202 V HA -0.383 nan 4.120 nan 0.000 0.256 202 V C 1.943 178.062 176.094 0.043 0.000 1.080 202 V CA 4.295 66.659 62.300 0.106 0.000 1.101 202 V CB -1.054 30.853 31.823 0.140 0.000 0.698 202 V HN 0.266 8.582 8.190 0.210 0.000 0.477 203 M N -1.393 118.207 119.600 0.000 0.000 2.193 203 M HA -0.121 nan 4.480 nan 0.000 0.265 203 M C 2.246 178.516 176.300 -0.049 0.000 1.071 203 M CA 2.709 57.962 55.300 -0.078 0.000 1.140 203 M CB -1.231 31.287 32.600 -0.137 0.000 1.369 203 M HN -0.831 7.347 8.290 0.016 0.122 0.423 204 E N -0.779 119.412 120.200 -0.015 0.000 2.033 204 E HA -0.202 nan 4.350 nan 0.000 0.189 204 E C 2.525 179.125 176.600 0.001 0.000 0.979 204 E CA 2.614 59.008 56.400 -0.010 0.000 0.802 204 E CB -0.057 29.645 29.700 0.004 0.000 0.763 204 E HN -0.049 8.228 8.360 0.004 0.086 0.449 205 E N -3.329 116.879 120.200 0.012 0.000 2.364 205 E HA 0.078 nan 4.350 nan 0.000 0.196 205 E C 1.349 177.954 176.600 0.007 0.000 0.990 205 E CA 1.394 57.797 56.400 0.005 0.000 0.886 205 E CB 1.237 30.936 29.700 -0.001 0.000 0.866 205 E HN 0.050 8.424 8.360 0.024 0.000 0.493 206 I N 0.102 120.685 120.570 0.022 0.000 3.649 206 I HA -0.155 nan 4.170 nan 0.000 0.234 206 I C 1.523 177.678 176.117 0.064 0.000 1.053 206 I CA 2.463 63.786 61.300 0.039 0.000 1.538 206 I CB 0.733 38.760 38.000 0.045 0.000 1.445 206 I HN -0.967 7.259 8.210 0.027 0.000 0.464 207 I N -0.461 120.155 120.570 0.077 0.000 2.091 207 I HA -0.669 nan 4.170 nan 0.000 0.239 207 I C 1.873 178.039 176.117 0.081 0.000 1.061 207 I CA 4.859 66.224 61.300 0.108 0.000 1.317 207 I CB -0.145 37.918 38.000 0.105 0.000 1.031 207 I HN -0.121 8.130 8.210 0.068 0.000 0.401 208 K N -0.557 119.859 120.400 0.026 0.000 2.063 208 K HA -0.186 nan 4.320 nan 0.000 0.208 208 K C -1.035 175.579 176.600 0.024 0.000 1.048 208 K CA 3.864 60.161 56.287 0.016 0.000 0.928 208 K CB -1.635 30.856 32.500 -0.015 0.000 0.713 208 K HN -0.280 7.970 8.250 -0.001 0.000 0.442 209 P HA -0.054 nan 4.420 nan 0.000 0.249 209 P C -0.700 176.628 177.300 0.045 0.000 1.229 209 P CA 0.733 63.847 63.100 0.023 0.000 0.788 209 P CB 0.288 31.998 31.700 0.017 0.000 1.072 210 I N -4.601 116.014 120.570 0.075 0.000 3.565 210 I HA 0.085 nan 4.170 nan 0.000 0.287 210 I C -0.212 175.972 176.117 0.113 0.000 1.193 210 I CA 0.076 61.454 61.300 0.129 0.000 1.402 210 I CB 1.341 39.449 38.000 0.180 0.000 1.284 210 I HN -0.423 7.660 8.210 0.076 0.173 0.454 211 L N 0.403 121.669 121.223 0.070 0.000 2.367 211 L HA 0.122 nan 4.340 nan 0.000 0.275 211 L C -1.925 174.887 176.870 -0.096 0.000 1.129 211 L CA -1.450 53.373 54.840 -0.027 0.000 0.839 211 L CB -0.852 41.233 42.059 0.042 0.000 1.133 211 L HN -0.804 7.480 8.230 0.091 0.000 0.453 212 P HA 0.026 nan 4.420 nan 0.000 0.271 212 P C -0.756 176.396 177.300 -0.245 0.000 1.216 212 P CA -0.438 62.435 63.100 -0.379 0.000 0.771 212 P CB 0.957 32.104 31.700 -0.921 0.000 0.864 213 A N 4.841 127.546 122.820 -0.192 0.000 1.929 213 A HA -0.222 nan 4.320 nan 0.000 0.216 213 A C 2.425 179.979 177.584 -0.051 0.000 1.176 213 A CA 2.821 54.808 52.037 -0.084 0.000 0.628 213 A CB -0.476 18.481 19.000 -0.071 0.000 0.816 213 A HN 0.417 8.427 8.150 -0.233 0.000 0.444 214 E N 0.052 120.187 120.200 -0.109 0.000 2.153 214 E HA -0.221 nan 4.350 nan 0.000 0.194 214 E C 0.393 177.075 176.600 0.138 0.000 0.988 214 E CA 2.349 58.735 56.400 -0.023 0.000 0.811 214 E CB -1.232 28.433 29.700 -0.058 0.000 0.746 214 E HN 0.477 8.715 8.360 -0.203 0.000 0.466 215 W N -3.889 117.353 121.300 -0.096 0.000 2.467 215 W HA -0.095 nan 4.660 nan 0.000 0.275 215 W C -0.680 175.732 176.519 -0.178 0.000 1.239 215 W CA -1.323 55.928 57.345 -0.156 0.000 1.266 215 W CB -0.323 28.996 29.460 -0.236 0.000 1.112 215 W HN -0.134 7.985 8.180 -0.095 0.005 0.576 216 L N -2.074 119.202 121.223 0.089 0.000 2.349 216 L HA 0.114 nan 4.340 nan 0.000 0.275 216 L C 0.014 176.905 176.870 0.035 0.000 1.115 216 L CA 0.085 54.945 54.840 0.034 0.000 0.820 216 L CB 0.442 42.566 42.059 0.107 0.000 1.135 216 L HN -0.581 7.527 8.230 0.082 0.171 0.445 217 T N 2.839 117.398 114.554 0.009 0.000 2.864 217 T HA 0.399 nan 4.350 nan 0.000 0.289 217 T C 0.967 175.687 174.700 0.034 0.000 1.082 217 T CA -1.713 60.396 62.100 0.015 0.000 1.009 217 T CB 1.602 70.464 68.868 -0.010 0.000 1.234 217 T HN 0.367 8.587 8.240 -0.033 0.000 0.526 218 S N 3.205 118.921 115.700 0.025 0.000 2.419 218 S HA -0.217 nan 4.470 nan 0.000 0.233 218 S C 0.227 174.835 174.600 0.013 0.000 1.016 218 S CA 2.416 60.632 58.200 0.026 0.000 0.974 218 S CB -0.022 63.186 63.200 0.014 0.000 0.786 218 S HN 0.526 8.847 8.310 0.018 0.000 0.492 219 A N -0.346 122.469 122.820 -0.009 0.000 2.208 219 A HA 0.102 nan 4.320 nan 0.000 0.209 219 A C -0.451 177.090 177.584 -0.071 0.000 1.161 219 A CA 0.282 52.300 52.037 -0.031 0.000 0.782 219 A CB 0.544 19.525 19.000 -0.033 0.000 0.816 219 A HN -0.479 7.631 8.150 -0.009 0.034 0.477 220 T N 3.312 117.807 114.554 -0.099 0.000 2.761 220 T HA -0.162 nan 4.350 nan 0.000 0.287 220 T C -0.241 174.297 174.700 -0.270 0.000 0.931 220 T CA 1.055 62.990 62.100 -0.274 0.000 1.164 220 T CB -0.619 67.977 68.868 -0.454 0.000 0.876 220 T HN -0.563 7.483 8.240 -0.039 0.170 0.534 221 K N 7.135 127.362 120.400 -0.288 0.000 2.378 221 K HA 0.080 nan 4.320 nan 0.000 0.288 221 K C -1.076 175.256 176.600 -0.447 0.000 1.057 221 K CA -0.387 55.696 56.287 -0.340 0.000 0.971 221 K CB 0.226 32.550 32.500 -0.294 0.000 0.975 221 K HN 0.506 8.602 8.250 -0.257 0.000 0.475 222 F N 2.390 122.070 119.950 -0.451 0.000 2.469 222 F HA 0.489 nan 4.527 nan 0.000 0.332 222 F C -0.117 175.427 175.800 -0.427 0.000 1.103 222 F CA -1.027 56.799 58.000 -0.290 0.000 0.979 222 F CB 2.910 41.831 39.000 -0.131 0.000 1.137 222 F HN 0.033 8.275 8.300 -0.097 0.000 0.463 223 F N 3.783 123.859 119.950 0.211 0.000 2.691 223 F HA 0.289 nan 4.527 nan 0.000 0.371 223 F C -1.402 174.481 175.800 0.139 0.000 1.159 223 F CA -1.287 56.792 58.000 0.133 0.000 1.174 223 F CB 1.068 40.120 39.000 0.087 0.000 1.419 223 F HN 0.913 9.446 8.300 0.388 0.000 0.514 224 I N 1.700 122.431 120.570 0.268 0.000 2.720 224 I HA -0.134 nan 4.170 nan 0.000 0.287 224 I C 0.336 176.575 176.117 0.203 0.000 1.090 224 I CA -0.106 61.320 61.300 0.211 0.000 1.384 224 I CB 0.506 38.590 38.000 0.141 0.000 1.420 224 I HN -0.041 8.295 8.210 0.210 0.000 0.575 225 N N 5.153 123.978 118.700 0.208 0.000 2.860 225 N HA -0.246 nan 4.740 nan 0.000 0.284 225 N C -1.114 174.493 175.510 0.162 0.000 0.991 225 N CA 1.057 54.230 53.050 0.206 0.000 0.858 225 N CB -1.337 37.286 38.487 0.226 0.000 0.933 225 N HN -0.102 8.413 8.380 0.225 0.000 0.593 226 P HA -0.105 nan 4.420 nan 0.000 0.217 226 P C -0.086 177.262 177.300 0.080 0.000 1.150 226 P CA 1.752 64.928 63.100 0.128 0.000 0.832 226 P CB -0.258 31.484 31.700 0.071 0.000 0.787 227 T N -9.473 105.116 114.554 0.059 0.000 3.148 227 T HA 0.101 nan 4.350 nan 0.000 0.253 227 T C 1.187 175.934 174.700 0.078 0.000 1.134 227 T CA -0.528 61.597 62.100 0.042 0.000 1.051 227 T CB -0.335 68.533 68.868 0.000 0.000 0.959 227 T HN -0.101 8.159 8.240 0.058 0.015 0.525 228 G N 3.561 112.429 108.800 0.112 0.000 2.601 228 G HA2 -0.520 nan 3.960 nan 0.000 0.306 228 G HA3 -0.520 nan 3.960 nan 0.000 0.306 228 G C -1.129 173.915 174.900 0.241 0.000 1.172 228 G CA 0.547 45.731 45.100 0.141 0.000 0.966 228 G HN 0.173 8.334 8.290 0.112 0.196 0.542 229 R N 4.853 125.492 120.500 0.231 0.000 2.565 229 R HA 0.208 nan 4.340 nan 0.000 0.286 229 R C -1.247 175.251 176.300 0.331 0.000 1.256 229 R CA -1.368 54.935 56.100 0.338 0.000 1.238 229 R CB -0.074 30.356 30.300 0.216 0.000 1.153 229 R HN -0.274 8.092 8.270 0.159 0.000 0.553 230 F N 7.600 127.640 119.950 0.150 0.000 2.423 230 F HA 0.122 nan 4.527 nan 0.000 0.356 230 F C -1.872 173.694 175.800 -0.390 0.000 1.170 230 F CA -2.773 55.185 58.000 -0.069 0.000 1.163 230 F CB 0.088 39.113 39.000 0.041 0.000 1.318 230 F HN -0.148 8.515 8.300 0.681 0.045 0.569 231 V N 8.201 128.042 119.914 -0.122 0.000 3.263 231 V HA 0.043 nan 4.120 nan 0.000 0.248 231 V C -1.485 174.527 176.094 -0.137 0.000 1.145 231 V CA 1.398 63.547 62.300 -0.251 0.000 1.107 231 V CB 1.309 33.075 31.823 -0.094 0.000 0.797 231 V HN -0.164 8.081 8.190 0.092 0.000 0.467 232 I N -2.560 118.011 120.570 0.001 0.000 2.619 232 I HA 0.184 nan 4.170 nan 0.000 0.292 232 I C -1.589 174.656 176.117 0.214 0.000 1.100 232 I CA -1.094 60.249 61.300 0.071 0.000 1.043 232 I CB 3.280 41.322 38.000 0.070 0.000 1.239 232 I HN -0.758 7.511 8.210 0.098 0.000 0.420 233 G N 7.192 116.133 108.800 0.235 0.000 2.733 233 G HA2 -0.071 nan 3.960 nan 0.000 0.223 233 G HA3 -0.071 nan 3.960 nan 0.000 0.223 233 G C -1.188 173.788 174.900 0.126 0.000 3.546 233 G CA 0.134 45.336 45.100 0.170 0.000 0.654 233 G HN 0.352 8.819 8.290 0.295 0.000 0.432 234 G N 3.746 112.623 108.800 0.129 0.000 2.582 234 G HA2 -0.415 nan 3.960 nan 0.000 0.288 234 G HA3 -0.415 nan 3.960 nan 0.000 0.288 234 G C -2.017 172.731 174.900 -0.253 0.000 1.247 234 G CA 0.444 45.483 45.100 -0.102 0.000 0.972 234 G HN 0.004 8.682 8.290 0.217 -0.259 0.557 235 P HA -0.199 nan 4.420 nan 0.000 0.228 235 P C -0.960 176.251 177.300 -0.148 0.000 1.151 235 P CA 1.152 64.029 63.100 -0.372 0.000 0.770 235 P CB 0.295 31.584 31.700 -0.685 0.000 0.786 236 M N -0.027 119.536 119.600 -0.061 0.000 2.307 236 M HA -0.326 nan 4.480 nan 0.000 0.346 236 M C 0.534 176.831 176.300 -0.006 0.000 1.552 236 M CA 1.540 56.852 55.300 0.019 0.000 1.116 236 M CB -0.254 32.378 32.600 0.054 0.000 1.889 236 M HN -0.582 7.591 8.290 -0.097 0.059 0.460 237 G N 5.192 113.988 108.800 -0.006 0.000 2.212 237 G HA2 -0.439 nan 3.960 nan 0.000 0.266 237 G HA3 -0.439 nan 3.960 nan 0.000 0.266 237 G C -1.179 173.698 174.900 -0.037 0.000 0.978 237 G CA 0.481 45.574 45.100 -0.011 0.000 0.632 237 G HN 0.274 8.563 8.290 -0.002 0.000 0.537 238 D N -1.309 119.050 120.400 -0.068 0.000 2.624 238 D HA 0.244 nan 4.640 nan 0.000 0.257 238 D C -1.993 174.232 176.300 -0.124 0.000 1.167 238 D CA -1.510 52.432 54.000 -0.097 0.000 1.086 238 D CB 2.437 43.160 40.800 -0.129 0.000 1.210 238 D HN -0.871 7.356 8.370 -0.074 0.099 0.631 239 C N -0.298 118.905 119.300 -0.162 0.000 3.018 239 C HA 0.212 nan 4.460 nan 0.000 0.413 239 C C -1.466 173.368 174.990 -0.261 0.000 1.015 239 C CA -0.569 58.309 59.018 -0.235 0.000 1.233 239 C CB 1.534 29.153 27.740 -0.202 0.000 1.630 239 C HN -0.030 8.112 8.230 -0.148 0.000 0.532 240 G N 6.703 115.320 108.800 -0.304 0.000 2.415 240 G HA2 0.719 nan 3.960 nan 0.000 0.327 240 G HA3 0.719 nan 3.960 nan 0.000 0.327 240 G C -2.797 171.952 174.900 -0.252 0.000 1.182 240 G CA -0.957 44.022 45.100 -0.202 0.000 0.924 240 G HN 0.944 8.902 8.290 -0.363 0.114 0.470 241 L N -1.515 119.616 121.223 -0.154 0.000 2.424 241 L HA 0.898 nan 4.340 nan 0.000 0.258 241 L C -0.805 176.040 176.870 -0.041 0.000 0.995 241 L CA -1.732 53.052 54.840 -0.093 0.000 0.821 241 L CB 3.142 45.153 42.059 -0.081 0.000 1.383 241 L HN -0.193 8.200 8.230 -0.106 -0.226 0.410 242 T N -1.037 113.511 114.554 -0.011 0.000 2.932 242 T HA -0.127 nan 4.350 nan 0.000 0.312 242 T C 1.287 175.964 174.700 -0.038 0.000 1.071 242 T CA 0.844 62.934 62.100 -0.016 0.000 1.128 242 T CB 0.265 69.134 68.868 0.001 0.000 0.984 242 T HN -0.017 8.231 8.240 0.013 0.000 0.549 243 G N 6.108 114.871 108.800 -0.062 0.000 2.176 243 G HA2 -0.315 nan 3.960 nan 0.000 0.253 243 G HA3 -0.315 nan 3.960 nan 0.000 0.253 243 G C 0.819 175.652 174.900 -0.112 0.000 0.979 243 G CA 0.837 45.878 45.100 -0.098 0.000 0.641 243 G HN 0.108 8.629 8.290 -0.056 -0.264 0.530 244 R N -0.677 119.763 120.500 -0.100 0.000 2.173 244 R HA -0.033 nan 4.340 nan 0.000 0.208 244 R C 1.111 177.325 176.300 -0.143 0.000 1.035 244 R CA 0.761 56.796 56.100 -0.109 0.000 1.004 244 R CB 0.147 30.397 30.300 -0.083 0.000 0.917 244 R HN -0.546 7.625 8.270 -0.083 0.050 0.462 245 K N 1.479 121.787 120.400 -0.154 0.000 3.173 245 K HA 0.155 nan 4.320 nan 0.000 0.255 245 K C -0.384 176.102 176.600 -0.190 0.000 1.235 245 K CA -2.142 54.044 56.287 -0.168 0.000 1.250 245 K CB -1.928 30.472 32.500 -0.166 0.000 1.382 245 K HN -0.159 8.010 8.250 -0.135 0.000 0.421 246 I N 1.944 122.366 120.570 -0.247 0.000 2.151 246 I HA -0.443 nan 4.170 nan 0.000 0.243 246 I C 1.293 177.196 176.117 -0.358 0.000 1.080 246 I CA 2.467 63.553 61.300 -0.356 0.000 1.339 246 I CB -0.375 37.373 38.000 -0.419 0.000 1.039 246 I HN -0.518 7.464 8.210 -0.226 0.092 0.409 247 I N -2.578 117.803 120.570 -0.316 0.000 2.142 247 I HA -0.406 nan 4.170 nan 0.000 0.240 247 I C 2.079 178.150 176.117 -0.077 0.000 1.078 247 I CA 2.866 64.052 61.300 -0.191 0.000 1.343 247 I CB -1.610 36.288 38.000 -0.169 0.000 1.046 247 I HN -0.016 8.013 8.210 -0.303 0.000 0.405 248 V N -0.556 119.317 119.914 -0.068 0.000 2.282 248 V HA -0.455 nan 4.120 nan 0.000 0.249 248 V C 1.696 177.860 176.094 0.116 0.000 1.057 248 V CA 3.414 65.726 62.300 0.020 0.000 1.032 248 V CB -0.350 31.491 31.823 0.030 0.000 0.645 248 V HN -0.471 7.657 8.190 -0.104 0.000 0.447 249 D N -2.525 117.880 120.400 0.009 0.000 2.149 249 D HA -0.308 nan 4.640 nan 0.000 0.194 249 D C 2.059 178.287 176.300 -0.120 0.000 1.001 249 D CA 3.132 57.108 54.000 -0.039 0.000 0.849 249 D CB -0.113 40.529 40.800 -0.265 0.000 0.939 249 D HN 0.353 8.690 8.370 -0.055 0.000 0.449 250 T N -2.064 112.423 114.554 -0.111 0.000 3.139 250 T HA 0.077 nan 4.350 nan 0.000 0.226 250 T C 0.925 175.457 174.700 -0.280 0.000 1.010 250 T CA 1.840 63.824 62.100 -0.195 0.000 1.487 250 T CB 0.788 69.705 68.868 0.082 0.000 1.204 250 T HN -0.553 7.548 8.240 -0.077 0.093 0.437 251 Y N -1.118 119.319 120.300 0.227 0.000 2.742 251 Y HA 0.227 nan 4.550 nan 0.000 0.248 251 Y C 0.226 176.173 175.900 0.078 0.000 1.132 251 Y CA -1.538 56.663 58.100 0.168 0.000 1.142 251 Y CB 1.410 39.916 38.460 0.076 0.000 1.222 251 Y HN -0.534 7.826 8.280 0.134 0.000 0.575 252 G N 0.702 109.583 108.800 0.134 0.000 2.380 252 G HA2 -0.495 nan 3.960 nan 0.000 0.298 252 G HA3 -0.495 nan 3.960 nan 0.000 0.298 252 G C 0.172 175.154 174.900 0.137 0.000 0.989 252 G CA 1.512 46.664 45.100 0.087 0.000 0.836 252 G HN -0.302 8.046 8.290 0.095 0.000 0.511 253 G N -4.424 104.458 108.800 0.136 0.000 2.143 253 G HA2 -0.427 nan 3.960 nan 0.000 0.249 253 G HA3 -0.427 nan 3.960 nan 0.000 0.249 253 G C 0.292 175.336 174.900 0.241 0.000 0.981 253 G CA 0.427 45.602 45.100 0.124 0.000 0.665 253 G HN -0.044 8.279 8.290 0.153 0.059 0.528 254 M N 0.363 120.025 119.600 0.104 0.000 2.200 254 M HA -0.182 nan 4.480 nan 0.000 0.265 254 M C -1.162 174.852 176.300 -0.477 0.000 1.066 254 M CA 1.238 56.339 55.300 -0.331 0.000 1.127 254 M CB 0.326 32.643 32.600 -0.472 0.000 1.379 254 M HN 0.056 8.364 8.290 0.143 0.068 0.420 255 A N -4.308 118.257 122.820 -0.424 0.000 2.322 255 A HA 0.379 nan 4.320 nan 0.000 0.327 255 A C -0.789 176.668 177.584 -0.211 0.000 1.134 255 A CA -1.291 50.471 52.037 -0.459 0.000 0.831 255 A CB 1.954 20.521 19.000 -0.721 0.000 1.288 255 A HN -0.713 7.296 8.150 -0.193 0.025 0.472 256 R N -1.018 119.264 120.500 -0.362 0.000 2.828 256 R HA -0.087 nan 4.340 nan 0.000 0.270 256 R C -0.959 175.109 176.300 -0.385 0.000 1.244 256 R CA 0.365 56.122 56.100 -0.571 0.000 1.143 256 R CB 1.041 30.624 30.300 -1.194 0.000 1.128 256 R HN -0.124 8.163 8.270 -0.374 -0.242 0.587 257 H N -4.386 114.378 119.070 -0.510 0.000 3.156 257 H HA 0.054 nan 4.556 nan 0.000 0.319 257 H C -1.209 174.234 175.328 0.191 0.000 1.067 257 H CA -0.187 55.864 56.048 0.005 0.000 1.417 257 H CB 1.710 31.466 29.762 -0.010 0.000 2.050 257 H HN -0.005 7.965 8.280 -0.517 0.000 0.473 258 G N 3.524 112.568 108.800 0.405 0.000 2.528 258 G HA2 -0.007 nan 3.960 nan 0.000 0.289 258 G HA3 -0.007 nan 3.960 nan 0.000 0.289 258 G C 0.471 175.520 174.900 0.249 0.000 1.192 258 G CA -1.069 44.215 45.100 0.306 0.000 0.921 258 G HN 0.212 8.719 8.290 0.361 0.000 0.512 259 G N -1.285 107.620 108.800 0.174 0.000 2.527 259 G HA2 -0.181 nan 3.960 nan 0.000 0.219 259 G HA3 -0.181 nan 3.960 nan 0.000 0.219 259 G C 0.141 175.120 174.900 0.130 0.000 1.117 259 G CA 0.301 45.492 45.100 0.151 0.000 0.759 259 G HN 0.269 8.636 8.290 0.128 0.000 0.556 260 G N 0.082 108.933 108.800 0.085 0.000 2.377 260 G HA2 0.119 nan 3.960 nan 0.000 0.299 260 G HA3 0.119 nan 3.960 nan 0.000 0.299 260 G C -1.843 172.948 174.900 -0.180 0.000 1.150 260 G CA -1.114 43.973 45.100 -0.022 0.000 0.847 260 G HN -0.660 7.615 8.290 0.071 0.057 0.501 261 A N 3.094 125.804 122.820 -0.184 0.000 2.257 261 A HA 0.570 nan 4.320 nan 0.000 0.289 261 A C -0.316 177.175 177.584 -0.154 0.000 1.095 261 A CA -0.267 51.590 52.037 -0.300 0.000 0.836 261 A CB 1.491 20.402 19.000 -0.149 0.000 1.111 261 A HN 0.020 8.109 8.150 -0.100 0.000 0.497 262 F N -2.957 116.907 119.950 -0.144 0.000 2.619 262 F HA 0.232 nan 4.527 nan 0.000 0.281 262 F C 0.362 176.088 175.800 -0.123 0.000 1.065 262 F CA -0.186 57.704 58.000 -0.183 0.000 1.304 262 F CB 1.064 39.938 39.000 -0.211 0.000 1.059 262 F HN 0.488 8.692 8.300 -0.160 0.000 0.648 263 S N -0.432 115.361 115.700 0.155 0.000 2.562 263 S HA -0.223 nan 4.470 nan 0.000 0.281 263 S C 1.253 175.863 174.600 0.017 0.000 1.333 263 S CA 2.596 60.851 58.200 0.091 0.000 1.052 263 S CB 0.116 63.378 63.200 0.103 0.000 0.884 263 S HN -0.408 7.986 8.310 0.139 0.000 0.506 264 G N 4.365 113.160 108.800 -0.009 0.000 2.184 264 G HA2 -0.509 nan 3.960 nan 0.000 0.264 264 G HA3 -0.509 nan 3.960 nan 0.000 0.264 264 G C -1.080 173.769 174.900 -0.086 0.000 0.975 264 G CA 0.443 45.521 45.100 -0.036 0.000 0.642 264 G HN 0.766 9.422 8.290 0.005 -0.363 0.536 265 K N 2.232 122.554 120.400 -0.129 0.000 2.281 265 K HA 0.294 nan 4.320 nan 0.000 0.272 265 K C -1.044 175.364 176.600 -0.320 0.000 1.048 265 K CA -1.836 54.340 56.287 -0.186 0.000 0.898 265 K CB 0.590 32.996 32.500 -0.156 0.000 1.128 265 K HN -0.464 7.656 8.250 -0.114 0.062 0.460 266 D N 6.292 126.527 120.400 -0.276 0.000 2.478 266 D HA -0.090 nan 4.640 nan 0.000 0.234 266 D C -0.453 175.636 176.300 -0.352 0.000 1.154 266 D CA -0.493 53.316 54.000 -0.319 0.000 0.874 266 D CB 0.221 40.905 40.800 -0.194 0.000 1.198 266 D HN -0.229 8.023 8.370 -0.197 0.000 0.455 267 P HA -0.142 nan 4.420 nan 0.000 0.228 267 P C 0.646 177.749 177.300 -0.330 0.000 1.151 267 P CA 1.889 64.777 63.100 -0.353 0.000 0.770 267 P CB -0.130 31.423 31.700 -0.244 0.000 0.786 268 S N -1.706 113.818 115.700 -0.293 0.000 2.440 268 S HA -0.324 nan 4.470 nan 0.000 0.238 268 S C 0.587 175.011 174.600 -0.293 0.000 1.010 268 S CA 2.491 60.492 58.200 -0.332 0.000 0.972 268 S CB -0.228 62.869 63.200 -0.172 0.000 0.774 268 S HN 0.036 8.524 8.310 -0.238 -0.321 0.501 269 K N 2.880 123.123 120.400 -0.262 0.000 2.338 269 K HA 0.032 nan 4.320 nan 0.000 0.290 269 K C 0.490 176.927 176.600 -0.272 0.000 1.069 269 K CA -0.392 55.757 56.287 -0.229 0.000 0.941 269 K CB -0.370 32.009 32.500 -0.201 0.000 1.023 269 K HN -0.744 7.285 8.250 -0.270 0.059 0.477 270 V N 1.314 121.062 119.914 -0.276 0.000 2.490 270 V HA -0.355 nan 4.120 nan 0.000 0.250 270 V C 1.083 177.047 176.094 -0.217 0.000 1.061 270 V CA 3.320 65.416 62.300 -0.338 0.000 1.064 270 V CB -0.616 30.863 31.823 -0.573 0.000 0.670 270 V HN 0.443 8.484 8.190 -0.249 0.000 0.461 271 D N 0.014 120.336 120.400 -0.130 0.000 2.170 271 D HA -0.401 nan 4.640 nan 0.000 0.193 271 D C 1.468 177.784 176.300 0.026 0.000 1.004 271 D CA 3.785 57.773 54.000 -0.020 0.000 0.860 271 D CB -0.469 40.327 40.800 -0.008 0.000 0.931 271 D HN 0.114 8.403 8.370 -0.134 0.000 0.448 272 R N -1.409 118.973 120.500 -0.197 0.000 2.048 272 R HA -0.043 nan 4.340 nan 0.000 0.221 272 R C 1.997 177.806 176.300 -0.817 0.000 1.174 272 R CA 2.392 58.107 56.100 -0.642 0.000 0.971 272 R CB 1.060 30.888 30.300 -0.787 0.000 0.863 272 R HN -0.458 7.562 8.270 -0.231 0.111 0.439 273 S N 1.056 116.414 115.700 -0.570 0.000 2.359 273 S HA -0.421 nan 4.470 nan 0.000 0.223 273 S C 2.036 176.538 174.600 -0.164 0.000 1.039 273 S CA 3.389 61.365 58.200 -0.373 0.000 1.042 273 S CB -0.230 62.789 63.200 -0.302 0.000 0.915 273 S HN -0.358 7.654 8.310 -0.497 0.000 0.439 274 A N 0.617 123.361 122.820 -0.126 0.000 1.940 274 A HA -0.319 nan 4.320 nan 0.000 0.219 274 A C 1.602 179.249 177.584 0.105 0.000 1.176 274 A CA 2.972 55.039 52.037 0.049 0.000 0.631 274 A CB -0.987 18.089 19.000 0.127 0.000 0.814 274 A HN -0.031 7.887 8.150 -0.210 0.106 0.446 275 A N -1.327 121.542 122.820 0.083 0.000 1.872 275 A HA -0.204 nan 4.320 nan 0.000 0.214 275 A C 1.945 179.715 177.584 0.311 0.000 1.187 275 A CA 2.821 54.997 52.037 0.233 0.000 0.614 275 A CB -0.673 18.536 19.000 0.349 0.000 0.826 275 A HN -0.545 7.580 8.150 -0.017 0.015 0.442 276 Y N -1.327 118.863 120.300 -0.184 0.000 2.151 276 Y HA -0.432 nan 4.550 nan 0.000 0.284 276 Y C 2.289 178.181 175.900 -0.014 0.000 1.166 276 Y CA 0.952 58.897 58.100 -0.259 0.000 1.163 276 Y CB -1.285 36.823 38.460 -0.586 0.000 0.974 276 Y HN 0.200 8.490 8.280 0.017 0.000 0.511 277 A N -1.621 121.302 122.820 0.172 0.000 1.930 277 A HA -0.368 nan 4.320 nan 0.000 0.217 277 A C 1.843 179.505 177.584 0.130 0.000 1.175 277 A CA 2.764 54.894 52.037 0.155 0.000 0.627 277 A CB -1.137 17.943 19.000 0.133 0.000 0.815 277 A HN 0.545 8.678 8.150 0.140 0.101 0.443 278 A N -1.150 121.733 122.820 0.106 0.000 1.902 278 A HA -0.330 nan 4.320 nan 0.000 0.217 278 A C 1.644 179.243 177.584 0.024 0.000 1.181 278 A CA 3.032 55.103 52.037 0.056 0.000 0.623 278 A CB -0.791 18.269 19.000 0.099 0.000 0.818 278 A HN 0.252 8.380 8.150 0.133 0.102 0.443 279 R N -0.606 119.895 120.500 0.000 0.000 2.080 279 R HA -0.373 nan 4.340 nan 0.000 0.236 279 R C 1.609 177.919 176.300 0.016 0.000 1.137 279 R CA 2.374 58.398 56.100 -0.128 0.000 0.943 279 R CB -0.784 29.133 30.300 -0.638 0.000 0.846 279 R HN -0.440 7.851 8.270 0.035 0.000 0.431 280 Y N -0.990 119.288 120.300 -0.036 0.000 2.102 280 Y HA -0.485 nan 4.550 nan 0.000 0.280 280 Y C 1.985 177.751 175.900 -0.223 0.000 1.178 280 Y CA 3.995 62.071 58.100 -0.040 0.000 1.146 280 Y CB -0.095 38.395 38.460 0.050 0.000 0.968 280 Y HN -0.149 8.286 8.280 0.259 0.000 0.504 281 V N -1.214 118.531 119.914 -0.281 0.000 2.237 281 V HA -0.532 nan 4.120 nan 0.000 0.245 281 V C 1.345 177.210 176.094 -0.381 0.000 1.046 281 V CA 3.557 65.429 62.300 -0.713 0.000 1.007 281 V CB -0.904 30.381 31.823 -0.897 0.000 0.638 281 V HN 0.189 8.121 8.190 -0.112 0.190 0.445 282 A N -0.150 122.542 122.820 -0.213 0.000 1.892 282 A HA -0.464 nan 4.320 nan 0.000 0.218 282 A C 1.660 179.153 177.584 -0.152 0.000 1.188 282 A CA 3.499 55.442 52.037 -0.157 0.000 0.631 282 A CB -0.936 17.988 19.000 -0.127 0.000 0.822 282 A HN 0.023 8.071 8.150 -0.169 0.000 0.447 283 K N -1.935 118.387 120.400 -0.130 0.000 2.057 283 K HA -0.409 nan 4.320 nan 0.000 0.207 283 K C 2.340 178.862 176.600 -0.129 0.000 1.049 283 K CA 3.407 59.635 56.287 -0.099 0.000 0.931 283 K CB -0.165 32.309 32.500 -0.043 0.000 0.714 283 K HN 0.052 8.232 8.250 -0.117 0.000 0.440 284 N N -0.388 118.187 118.700 -0.208 0.000 2.106 284 N HA -0.279 nan 4.740 nan 0.000 0.188 284 N C 2.260 177.702 175.510 -0.113 0.000 1.029 284 N CA 3.572 56.515 53.050 -0.179 0.000 0.848 284 N CB 0.064 38.419 38.487 -0.219 0.000 1.007 284 N HN -0.555 7.653 8.380 -0.286 0.000 0.423 285 I N 0.342 120.848 120.570 -0.107 0.000 2.145 285 I HA -0.502 nan 4.170 nan 0.000 0.244 285 I C 1.386 177.459 176.117 -0.073 0.000 1.075 285 I CA 4.678 65.935 61.300 -0.072 0.000 1.332 285 I CB -0.029 37.929 38.000 -0.069 0.000 1.033 285 I HN 0.092 8.212 8.210 -0.150 0.000 0.410 286 V N -2.312 117.553 119.914 -0.082 0.000 3.354 286 V HA -0.101 nan 4.120 nan 0.000 0.258 286 V C 1.821 177.882 176.094 -0.055 0.000 1.159 286 V CA 1.841 64.101 62.300 -0.067 0.000 1.125 286 V CB -0.873 30.902 31.823 -0.079 0.000 0.774 286 V HN -0.408 7.626 8.190 -0.098 0.098 0.464 287 A N 2.474 125.258 122.820 -0.060 0.000 2.067 287 A HA -0.154 nan 4.320 nan 0.000 0.219 287 A C 0.909 178.464 177.584 -0.048 0.000 1.158 287 A CA 2.727 54.736 52.037 -0.047 0.000 0.661 287 A CB -0.354 18.615 19.000 -0.052 0.000 0.801 287 A HN 0.357 8.358 8.150 -0.074 0.104 0.452 288 A N -4.100 118.684 122.820 -0.060 0.000 2.259 288 A HA 0.092 nan 4.320 nan 0.000 0.208 288 A C -0.165 177.391 177.584 -0.048 0.000 1.201 288 A CA -0.600 51.400 52.037 -0.062 0.000 0.824 288 A CB -0.072 18.878 19.000 -0.083 0.000 0.838 288 A HN -0.146 7.948 8.150 -0.068 0.015 0.485 289 G N -1.916 106.860 108.800 -0.039 0.000 2.203 289 G HA2 -0.375 nan 3.960 nan 0.000 0.263 289 G HA3 -0.375 nan 3.960 nan 0.000 0.263 289 G C 0.370 175.253 174.900 -0.028 0.000 1.012 289 G CA 1.443 46.526 45.100 -0.029 0.000 0.749 289 G HN -0.323 7.766 8.290 -0.040 0.178 0.512 290 L N -3.843 117.359 121.223 -0.034 0.000 2.313 290 L HA -0.129 nan 4.340 nan 0.000 0.214 290 L C -0.922 175.936 176.870 -0.021 0.000 1.119 290 L CA 1.311 56.134 54.840 -0.027 0.000 0.809 290 L CB -0.176 41.865 42.059 -0.030 0.000 0.933 290 L HN -0.465 7.703 8.230 -0.042 0.037 0.449 291 A N -5.607 117.199 122.820 -0.024 0.000 2.524 291 A HA 0.087 nan 4.320 nan 0.000 0.303 291 A C -1.576 175.997 177.584 -0.018 0.000 1.195 291 A CA -0.461 51.567 52.037 -0.014 0.000 0.651 291 A CB 1.630 20.623 19.000 -0.012 0.000 1.323 291 A HN -0.794 7.312 8.150 -0.032 0.026 0.479 292 D N -2.247 118.150 120.400 -0.006 0.000 2.455 292 D HA 0.161 nan 4.640 nan 0.000 0.228 292 D C -0.520 175.750 176.300 -0.050 0.000 1.070 292 D CA 1.714 55.704 54.000 -0.017 0.000 0.881 292 D CB 2.594 43.394 40.800 0.000 0.000 1.087 292 D HN -0.143 8.237 8.370 0.017 0.000 0.498 293 R N -2.845 117.637 120.500 -0.030 0.000 2.564 293 R HA 0.536 nan 4.340 nan 0.000 0.284 293 R C -2.448 173.861 176.300 0.015 0.000 1.031 293 R CA -0.867 55.164 56.100 -0.114 0.000 0.904 293 R CB 3.737 33.989 30.300 -0.081 0.000 1.199 293 R HN -0.761 7.529 8.270 0.032 0.000 0.443 294 C N 3.044 122.222 119.300 -0.204 0.000 2.698 294 C HA 0.620 nan 4.460 nan 0.000 0.309 294 C C -2.150 172.739 174.990 -0.168 0.000 1.186 294 C CA -1.793 57.152 59.018 -0.122 0.000 1.474 294 C CB 3.433 31.084 27.740 -0.148 0.000 2.020 294 C HN 0.578 8.471 8.230 -0.562 0.000 0.474 295 E N 4.932 125.119 120.200 -0.021 0.000 2.246 295 E HA 0.754 nan 4.350 nan 0.000 0.266 295 E C -2.088 174.551 176.600 0.065 0.000 0.880 295 E CA -1.524 54.977 56.400 0.169 0.000 0.762 295 E CB 3.957 33.867 29.700 0.350 0.000 1.180 295 E HN 0.659 8.836 8.360 -0.137 0.100 0.416 296 I N 4.791 125.413 120.570 0.086 0.000 2.441 296 I HA 0.535 nan 4.170 nan 0.000 0.295 296 I C -1.753 174.367 176.117 0.004 0.000 0.994 296 I CA -2.523 58.785 61.300 0.014 0.000 1.144 296 I CB 1.170 39.155 38.000 -0.025 0.000 1.314 296 I HN 0.652 8.942 8.210 0.134 0.000 0.445 297 Q N 6.070 125.772 119.800 -0.163 0.000 2.278 297 Q HA 0.628 nan 4.340 nan 0.000 0.257 297 Q C -1.487 174.336 176.000 -0.296 0.000 0.928 297 Q CA -1.105 54.409 55.803 -0.482 0.000 0.932 297 Q CB 1.854 30.139 28.738 -0.755 0.000 1.221 297 Q HN -0.031 8.169 8.270 -0.118 0.000 0.434 298 V N 1.628 121.390 119.914 -0.254 0.000 2.715 298 V HA 0.865 nan 4.120 nan 0.000 0.310 298 V C -1.634 174.310 176.094 -0.251 0.000 1.054 298 V CA -3.405 58.753 62.300 -0.237 0.000 0.928 298 V CB 2.039 33.762 31.823 -0.167 0.000 1.007 298 V HN 0.607 8.641 8.190 -0.261 0.000 0.437 299 S N 0.797 116.277 115.700 -0.365 0.000 2.627 299 S HA 0.857 nan 4.470 nan 0.000 0.283 299 S C -1.361 173.042 174.600 -0.329 0.000 1.127 299 S CA -1.362 56.723 58.200 -0.193 0.000 0.863 299 S CB 3.393 66.515 63.200 -0.129 0.000 1.121 299 S HN -0.091 7.938 8.310 -0.469 0.000 0.479 300 Y N -1.909 118.372 120.300 -0.032 0.000 2.615 300 Y HA 0.198 nan 4.550 nan 0.000 0.341 300 Y C -1.903 173.989 175.900 -0.013 0.000 1.089 300 Y CA -0.596 57.494 58.100 -0.017 0.000 1.049 300 Y CB 5.004 43.456 38.460 -0.013 0.000 1.296 300 Y HN 0.336 8.730 8.280 0.190 0.000 0.470 301 A N -0.885 122.038 122.820 0.172 0.000 2.413 301 A HA 0.311 nan 4.320 nan 0.000 0.307 301 A C -1.710 175.922 177.584 0.081 0.000 1.087 301 A CA -2.420 49.671 52.037 0.090 0.000 0.750 301 A CB 2.902 21.933 19.000 0.051 0.000 1.296 301 A HN 0.353 8.630 8.150 0.212 0.000 0.423 302 I N 0.491 121.091 120.570 0.050 0.000 2.587 302 I HA -0.314 nan 4.170 nan 0.000 0.284 302 I C 1.224 177.362 176.117 0.034 0.000 1.134 302 I CA -0.898 60.423 61.300 0.035 0.000 1.410 302 I CB -0.930 37.083 38.000 0.021 0.000 1.392 302 I HN 0.121 8.355 8.210 0.041 0.000 0.545 303 G N 7.830 116.652 108.800 0.036 0.000 2.245 303 G HA2 -0.460 nan 3.960 nan 0.000 0.264 303 G HA3 -0.460 nan 3.960 nan 0.000 0.264 303 G C -1.309 173.616 174.900 0.041 0.000 0.985 303 G CA 0.263 45.382 45.100 0.031 0.000 0.625 303 G HN 0.681 8.889 8.290 0.039 0.105 0.536 304 V N 0.710 120.657 119.914 0.055 0.000 2.881 304 V HA 0.009 nan 4.120 nan 0.000 0.303 304 V C -0.100 176.053 176.094 0.098 0.000 1.070 304 V CA 0.258 62.596 62.300 0.062 0.000 1.074 304 V CB 0.756 32.613 31.823 0.056 0.000 1.012 304 V HN -0.618 7.528 8.190 0.060 0.080 0.482 305 A N 3.636 126.513 122.820 0.096 0.000 2.026 305 A HA 0.082 nan 4.320 nan 0.000 0.201 305 A C -0.920 176.757 177.584 0.153 0.000 1.318 305 A CA 1.115 53.233 52.037 0.136 0.000 0.857 305 A CB 0.562 19.624 19.000 0.104 0.000 0.939 305 A HN 0.142 8.333 8.150 0.068 0.000 0.476 306 E N -0.522 119.731 120.200 0.089 0.000 2.384 306 E HA 0.081 nan 4.350 nan 0.000 0.266 306 E C -1.937 174.667 176.600 0.007 0.000 1.012 306 E CA -2.958 53.472 56.400 0.051 0.000 0.901 306 E CB 0.591 30.301 29.700 0.018 0.000 0.967 306 E HN -0.312 8.088 8.360 0.065 0.000 0.435 307 P HA -0.074 nan 4.420 nan 0.000 0.263 307 P C -0.451 176.722 177.300 -0.212 0.000 1.195 307 P CA 0.272 63.141 63.100 -0.385 0.000 0.762 307 P CB 0.694 31.998 31.700 -0.660 0.000 0.799 308 T N -1.987 112.468 114.554 -0.165 0.000 2.802 308 T HA -0.297 nan 4.350 nan 0.000 0.269 308 T C -0.050 174.576 174.700 -0.123 0.000 1.062 308 T CA 1.629 63.665 62.100 -0.107 0.000 1.133 308 T CB -0.005 68.822 68.868 -0.068 0.000 0.852 308 T HN 0.494 8.641 8.240 -0.155 0.000 0.485 309 S N -0.459 115.134 115.700 -0.179 0.000 2.547 309 S HA 0.136 nan 4.470 nan 0.000 0.270 309 S C -2.214 172.279 174.600 -0.179 0.000 1.150 309 S CA -1.152 56.959 58.200 -0.149 0.000 0.850 309 S CB 2.428 65.552 63.200 -0.127 0.000 1.118 309 S HN -0.919 7.209 8.310 -0.260 0.027 0.461 310 I N 0.785 121.278 120.570 -0.130 0.000 2.619 310 I HA 0.630 nan 4.170 nan 0.000 0.292 310 I C -1.216 174.843 176.117 -0.096 0.000 1.100 310 I CA -0.580 60.651 61.300 -0.116 0.000 1.043 310 I CB 3.440 41.395 38.000 -0.075 0.000 1.239 310 I HN 0.318 8.466 8.210 -0.104 0.000 0.420 311 M N 4.965 124.504 119.600 -0.102 0.000 2.501 311 M HA 0.495 nan 4.480 nan 0.000 0.293 311 M C -2.416 173.837 176.300 -0.077 0.000 1.192 311 M CA -0.866 54.386 55.300 -0.080 0.000 0.886 311 M CB 3.444 35.998 32.600 -0.076 0.000 1.710 311 M HN 0.285 8.501 8.290 -0.125 0.000 0.457 312 V N 0.777 120.645 119.914 -0.077 0.000 2.513 312 V HA 0.509 nan 4.120 nan 0.000 0.299 312 V C -0.954 175.047 176.094 -0.155 0.000 1.035 312 V CA -0.941 61.303 62.300 -0.095 0.000 0.889 312 V CB 1.378 33.159 31.823 -0.071 0.000 0.988 312 V HN 0.291 8.438 8.190 -0.072 0.000 0.440 313 E N 8.166 128.212 120.200 -0.258 0.000 2.186 313 E HA 0.377 nan 4.350 nan 0.000 0.255 313 E C -1.599 174.602 176.600 -0.665 0.000 0.881 313 E CA -1.475 54.616 56.400 -0.516 0.000 0.752 313 E CB 3.499 32.729 29.700 -0.784 0.000 1.176 313 E HN 0.608 8.839 8.360 -0.215 0.000 0.421 314 T N 2.158 116.483 114.554 -0.381 0.000 2.767 314 T HA 0.466 nan 4.350 nan 0.000 0.284 314 T C -0.230 174.364 174.700 -0.177 0.000 0.973 314 T CA -1.819 60.181 62.100 -0.167 0.000 0.996 314 T CB 0.448 69.275 68.868 -0.068 0.000 0.927 314 T HN 0.091 8.167 8.240 -0.273 0.000 0.456 315 F N 3.721 123.663 119.950 -0.014 0.000 2.309 315 F HA 0.122 nan 4.527 nan 0.000 0.366 315 F C 1.193 176.989 175.800 -0.007 0.000 1.104 315 F CA -3.182 54.818 58.000 -0.000 0.000 1.179 315 F CB -1.468 37.538 39.000 0.010 0.000 1.437 315 F HN -0.058 8.615 8.300 0.622 0.000 0.528 316 G N 3.448 112.322 108.800 0.123 0.000 2.200 316 G HA2 -0.446 nan 3.960 nan 0.000 0.267 316 G HA3 -0.446 nan 3.960 nan 0.000 0.267 316 G C -0.344 174.595 174.900 0.066 0.000 0.993 316 G CA 1.479 46.626 45.100 0.078 0.000 0.701 316 G HN 0.109 8.473 8.290 0.068 -0.033 0.524 317 T N -6.989 107.611 114.554 0.077 0.000 3.129 317 T HA 0.127 nan 4.350 nan 0.000 0.267 317 T C -0.281 174.435 174.700 0.027 0.000 1.018 317 T CA -1.540 60.592 62.100 0.054 0.000 0.903 317 T CB -0.233 68.677 68.868 0.070 0.000 1.067 317 T HN 0.128 8.400 8.240 0.081 0.016 0.549 318 E N 2.001 122.212 120.200 0.018 0.000 2.408 318 E HA 0.015 nan 4.350 nan 0.000 0.259 318 E C -0.260 176.342 176.600 0.002 0.000 1.110 318 E CA 0.987 57.390 56.400 0.004 0.000 0.929 318 E CB 0.625 30.324 29.700 -0.001 0.000 0.971 318 E HN -0.481 7.828 8.360 0.022 0.064 0.438 319 K N -0.018 120.380 120.400 -0.003 0.000 2.826 319 K HA 0.261 nan 4.320 nan 0.000 0.206 319 K C -2.233 174.365 176.600 -0.004 0.000 1.116 319 K CA -0.409 55.876 56.287 -0.003 0.000 1.045 319 K CB 0.541 33.038 32.500 -0.006 0.000 0.758 319 K HN 0.522 8.768 8.250 -0.006 0.000 0.465 320 V N -7.318 112.594 119.914 -0.003 0.000 3.155 320 V HA 0.281 nan 4.120 nan 0.000 0.272 320 V C -3.136 172.958 176.094 -0.001 0.000 1.639 320 V CA -2.744 59.555 62.300 -0.001 0.000 1.006 320 V CB 0.613 32.436 31.823 0.000 0.000 1.244 320 V HN -0.515 7.608 8.190 -0.003 0.065 0.458 321 P HA 0.397 nan 4.420 nan 0.000 0.275 321 P C 1.104 178.402 177.300 -0.004 0.000 1.228 321 P CA -0.852 62.246 63.100 -0.003 0.000 0.786 321 P CB 0.839 32.538 31.700 -0.001 0.000 0.927 322 S N 4.062 119.755 115.700 -0.012 0.000 2.393 322 S HA -0.550 nan 4.470 nan 0.000 0.234 322 S C 1.841 176.435 174.600 -0.009 0.000 1.064 322 S CA 3.588 61.777 58.200 -0.018 0.000 1.088 322 S CB -0.600 62.583 63.200 -0.028 0.000 0.939 322 S HN 0.453 8.755 8.310 -0.013 0.000 0.448 323 E N 0.268 120.465 120.200 -0.006 0.000 2.035 323 E HA -0.426 nan 4.350 nan 0.000 0.204 323 E C 2.135 178.741 176.600 0.010 0.000 1.025 323 E CA 3.071 59.471 56.400 -0.000 0.000 0.835 323 E CB -1.461 28.238 29.700 -0.001 0.000 0.764 323 E HN 0.413 8.770 8.360 -0.007 -0.001 0.457 324 Q N 0.449 120.256 119.800 0.012 0.000 2.217 324 Q HA -0.312 nan 4.340 nan 0.000 0.209 324 Q C 2.622 178.643 176.000 0.036 0.000 0.988 324 Q CA 2.628 58.445 55.803 0.023 0.000 0.878 324 Q CB -0.445 28.305 28.738 0.019 0.000 0.909 324 Q HN 0.003 8.278 8.270 0.008 0.000 0.424 325 L N -1.090 120.148 121.223 0.025 0.000 2.072 325 L HA -0.275 nan 4.340 nan 0.000 0.205 325 L C 1.693 178.592 176.870 0.049 0.000 1.079 325 L CA 3.577 58.437 54.840 0.034 0.000 0.752 325 L CB -0.206 41.858 42.059 0.008 0.000 0.906 325 L HN 0.146 8.267 8.230 0.013 0.116 0.436 326 T N 2.517 117.088 114.554 0.029 0.000 2.821 326 T HA -0.290 nan 4.350 nan 0.000 0.267 326 T C 2.442 177.171 174.700 0.049 0.000 1.046 326 T CA 4.292 66.410 62.100 0.029 0.000 1.139 326 T CB -0.538 68.332 68.868 0.004 0.000 0.871 326 T HN 0.165 8.305 8.240 0.017 0.110 0.454 327 L N 2.576 123.825 121.223 0.043 0.000 1.956 327 L HA -0.404 nan 4.340 nan 0.000 0.216 327 L C 1.247 178.167 176.870 0.085 0.000 1.073 327 L CA 3.817 58.684 54.840 0.046 0.000 0.762 327 L CB -0.639 41.441 42.059 0.036 0.000 0.889 327 L HN 0.153 8.403 8.230 0.032 0.000 0.433 328 L N -2.752 118.551 121.223 0.133 0.000 2.089 328 L HA -0.524 nan 4.340 nan 0.000 0.213 328 L C 2.362 179.430 176.870 0.331 0.000 1.079 328 L CA 3.156 58.150 54.840 0.256 0.000 0.758 328 L CB -0.745 41.457 42.059 0.239 0.000 0.891 328 L HN -0.150 8.145 8.230 0.108 0.000 0.433 329 V N -1.335 118.742 119.914 0.273 0.000 2.282 329 V HA -0.545 nan 4.120 nan 0.000 0.249 329 V C 2.210 178.505 176.094 0.335 0.000 1.057 329 V CA 4.519 67.044 62.300 0.376 0.000 1.032 329 V CB -0.727 31.221 31.823 0.207 0.000 0.645 329 V HN 0.142 8.436 8.190 0.190 0.010 0.447 330 R N -2.435 118.157 120.500 0.153 0.000 2.090 330 R HA -0.274 nan 4.340 nan 0.000 0.228 330 R C 2.730 179.005 176.300 -0.041 0.000 1.110 330 R CA 2.862 59.004 56.100 0.070 0.000 0.973 330 R CB -0.332 29.986 30.300 0.030 0.000 0.869 330 R HN -0.374 7.970 8.270 0.123 0.000 0.440 331 E N 0.062 120.180 120.200 -0.138 0.000 2.072 331 E HA -0.179 nan 4.350 nan 0.000 0.191 331 E C 1.357 177.521 176.600 -0.725 0.000 0.985 331 E CA 2.471 58.607 56.400 -0.441 0.000 0.801 331 E CB -0.127 29.210 29.700 -0.606 0.000 0.750 331 E HN -0.570 7.687 8.360 -0.043 0.077 0.452 332 F N -4.502 115.229 119.950 -0.366 0.000 2.789 332 F HA -0.065 nan 4.527 nan 0.000 0.300 332 F C -0.252 174.850 175.800 -1.165 0.000 1.132 332 F CA 2.200 59.715 58.000 -0.807 0.000 1.404 332 F CB 0.855 39.224 39.000 -1.052 0.000 1.114 332 F HN -0.525 7.681 8.300 -0.157 0.000 0.584 333 F N -2.161 117.870 119.950 0.135 0.000 2.557 333 F HA 0.063 nan 4.527 nan 0.000 0.316 333 F C -1.765 174.093 175.800 0.098 0.000 1.141 333 F CA -1.506 56.588 58.000 0.158 0.000 0.922 333 F CB 3.063 42.176 39.000 0.190 0.000 1.194 333 F HN -0.904 7.224 8.300 -0.195 0.056 0.443 334 D N 3.886 124.426 120.400 0.234 0.000 2.393 334 D HA 0.060 nan 4.640 nan 0.000 0.232 334 D C -0.378 176.042 176.300 0.200 0.000 1.192 334 D CA -0.765 53.332 54.000 0.161 0.000 0.882 334 D CB -0.108 40.765 40.800 0.121 0.000 1.038 334 D HN 0.258 8.788 8.370 0.267 0.000 0.499 335 L N 2.604 123.941 121.223 0.190 0.000 2.653 335 L HA 0.074 nan 4.340 nan 0.000 0.231 335 L C -0.083 176.939 176.870 0.252 0.000 1.153 335 L CA -1.152 53.816 54.840 0.213 0.000 0.933 335 L CB 0.132 42.300 42.059 0.182 0.000 1.175 335 L HN -0.197 8.128 8.230 0.158 0.000 0.473 336 R N 1.111 121.730 120.500 0.199 0.000 2.643 336 R HA 0.061 nan 4.340 nan 0.000 0.270 336 R C -1.337 175.070 176.300 0.177 0.000 1.061 336 R CA -0.576 55.654 56.100 0.216 0.000 1.107 336 R CB -1.337 29.059 30.300 0.161 0.000 0.999 336 R HN -0.638 7.916 8.270 0.161 -0.188 0.460 337 P HA -0.297 nan 4.420 nan 0.000 0.217 337 P C 1.002 178.228 177.300 -0.124 0.000 1.158 337 P CA 2.843 65.888 63.100 -0.093 0.000 0.887 337 P CB 0.018 31.658 31.700 -0.099 0.000 0.792 338 Y N -4.139 116.162 120.300 0.000 0.000 2.457 338 Y HA -0.153 nan 4.550 nan 0.000 0.292 338 Y C 2.356 178.272 175.900 0.027 0.000 1.125 338 Y CA 2.363 60.465 58.100 0.003 0.000 1.254 338 Y CB -1.003 37.456 38.460 -0.002 0.000 1.012 338 Y HN -0.387 8.122 8.280 0.381 0.000 0.555 339 G N 0.295 109.179 108.800 0.140 0.000 2.404 339 G HA2 -0.365 nan 3.960 nan 0.000 0.215 339 G HA3 -0.365 nan 3.960 nan 0.000 0.215 339 G C 1.098 176.051 174.900 0.089 0.000 1.174 339 G CA 1.837 47.006 45.100 0.115 0.000 0.780 339 G HN -0.361 7.888 8.290 0.154 0.134 0.537 340 L N 2.131 123.393 121.223 0.066 0.000 2.034 340 L HA -0.400 nan 4.340 nan 0.000 0.217 340 L C 2.227 179.109 176.870 0.020 0.000 1.077 340 L CA 2.644 57.512 54.840 0.046 0.000 0.769 340 L CB -0.769 41.281 42.059 -0.015 0.000 0.890 340 L HN -0.065 8.207 8.230 0.071 0.000 0.435 341 I N -3.982 116.568 120.570 -0.033 0.000 2.454 341 I HA -0.560 nan 4.170 nan 0.000 0.254 341 I C 2.008 178.150 176.117 0.042 0.000 1.156 341 I CA 3.791 65.073 61.300 -0.029 0.000 1.433 341 I CB -0.516 37.411 38.000 -0.121 0.000 1.082 341 I HN -0.708 7.442 8.210 -0.071 0.017 0.432 342 Q N -0.563 119.272 119.800 0.059 0.000 2.204 342 Q HA -0.162 nan 4.340 nan 0.000 0.198 342 Q C 2.944 178.994 176.000 0.082 0.000 0.946 342 Q CA 2.619 58.470 55.803 0.079 0.000 0.859 342 Q CB 0.127 28.917 28.738 0.086 0.000 0.946 342 Q HN -0.298 7.869 8.270 0.056 0.136 0.474 343 M N 0.892 120.544 119.600 0.087 0.000 2.296 343 M HA -0.245 nan 4.480 nan 0.000 0.265 343 M C 0.802 177.121 176.300 0.032 0.000 1.064 343 M CA 3.375 58.737 55.300 0.103 0.000 1.109 343 M CB 0.570 33.269 32.600 0.166 0.000 1.396 343 M HN 0.123 8.270 8.290 0.086 0.195 0.430 344 L N -6.352 114.880 121.223 0.015 0.000 2.766 344 L HA 0.082 nan 4.340 nan 0.000 0.242 344 L C -1.022 175.899 176.870 0.084 0.000 1.136 344 L CA -0.899 53.938 54.840 -0.006 0.000 0.933 344 L CB 0.348 42.413 42.059 0.011 0.000 1.241 344 L HN -0.258 7.975 8.230 0.045 0.024 0.522 345 D N -0.221 120.244 120.400 0.108 0.000 3.003 345 D HA -0.265 nan 4.640 nan 0.000 0.223 345 D C 0.311 176.770 176.300 0.264 0.000 1.204 345 D CA 1.218 55.320 54.000 0.169 0.000 0.828 345 D CB -0.727 40.168 40.800 0.157 0.000 0.918 345 D HN -0.619 7.675 8.370 0.091 0.131 0.401 346 L N -1.243 120.114 121.223 0.223 0.000 2.529 346 L HA 0.015 nan 4.340 nan 0.000 0.223 346 L C 0.093 177.117 176.870 0.256 0.000 1.113 346 L CA 0.539 55.554 54.840 0.292 0.000 0.861 346 L CB 0.516 42.713 42.059 0.230 0.000 1.012 346 L HN -0.379 7.942 8.230 0.152 0.000 0.461 347 L N -1.497 119.757 121.223 0.052 0.000 2.389 347 L HA 0.024 nan 4.340 nan 0.000 0.265 347 L C -0.856 175.678 176.870 -0.560 0.000 1.167 347 L CA 0.328 55.092 54.840 -0.127 0.000 1.045 347 L CB -1.295 40.684 42.059 -0.134 0.000 1.351 347 L HN -0.673 7.752 8.230 0.075 -0.150 0.419 348 H N 1.578 120.753 119.070 0.175 0.000 3.094 348 H HA 0.199 nan 4.556 nan 0.000 0.346 348 H C -2.284 173.133 175.328 0.148 0.000 1.238 348 H CA -1.771 54.347 56.048 0.117 0.000 1.209 348 H CB 3.185 32.982 29.762 0.058 0.000 1.911 348 H HN 0.222 8.601 8.280 0.213 0.028 0.540 349 P HA 0.138 nan 4.420 nan 0.000 0.244 349 P C -1.275 176.075 177.300 0.082 0.000 1.769 349 P CA 0.567 63.772 63.100 0.174 0.000 1.102 349 P CB -0.919 30.863 31.700 0.137 0.000 1.937 350 I N -6.607 113.898 120.570 -0.108 0.000 4.154 350 I HA 0.270 nan 4.170 nan 0.000 0.334 350 I C -0.339 175.641 176.117 -0.227 0.000 1.371 350 I CA -0.598 60.587 61.300 -0.193 0.000 1.110 350 I CB 0.404 38.232 38.000 -0.286 0.000 1.085 350 I HN -0.404 7.653 8.210 -0.212 0.027 0.398 351 Y N -0.257 120.114 120.300 0.119 0.000 2.503 351 Y HA -0.126 nan 4.550 nan 0.000 0.278 351 Y C 1.789 177.718 175.900 0.048 0.000 1.111 351 Y CA 2.032 60.175 58.100 0.072 0.000 1.270 351 Y CB 0.160 38.647 38.460 0.044 0.000 1.063 351 Y HN -0.102 8.691 8.280 0.144 -0.427 0.548 352 K N 0.409 120.911 120.400 0.170 0.000 2.057 352 K HA -0.375 nan 4.320 nan 0.000 0.207 352 K C 1.595 178.253 176.600 0.097 0.000 1.049 352 K CA 3.871 60.230 56.287 0.120 0.000 0.931 352 K CB -0.111 32.452 32.500 0.106 0.000 0.714 352 K HN -0.045 8.802 8.250 0.174 -0.493 0.440 353 E N -3.778 116.500 120.200 0.131 0.000 2.268 353 E HA -0.218 nan 4.350 nan 0.000 0.195 353 E C 1.921 178.623 176.600 0.170 0.000 0.995 353 E CA 2.597 59.101 56.400 0.173 0.000 0.836 353 E CB -1.210 28.639 29.700 0.248 0.000 0.763 353 E HN 0.294 8.739 8.360 0.142 0.000 0.491 354 T N 2.033 116.617 114.554 0.050 0.000 2.881 354 T HA -0.218 nan 4.350 nan 0.000 0.270 354 T C 1.454 175.929 174.700 -0.375 0.000 1.068 354 T CA 3.546 65.484 62.100 -0.270 0.000 1.131 354 T CB -0.686 67.982 68.868 -0.333 0.000 0.871 354 T HN -0.550 7.694 8.240 0.061 0.033 0.479 355 A N -0.270 122.473 122.820 -0.128 0.000 2.206 355 A HA -0.049 nan 4.320 nan 0.000 0.211 355 A C -1.935 175.594 177.584 -0.091 0.000 1.158 355 A CA 0.973 52.984 52.037 -0.043 0.000 0.761 355 A CB 0.401 19.415 19.000 0.023 0.000 0.801 355 A HN 0.103 8.056 8.150 -0.044 0.170 0.473 356 A N -5.630 117.061 122.820 -0.216 0.000 2.539 356 A HA 0.487 nan 4.320 nan 0.000 0.296 356 A C -1.847 175.396 177.584 -0.568 0.000 1.073 356 A CA -0.406 51.336 52.037 -0.493 0.000 0.700 356 A CB 1.794 20.330 19.000 -0.772 0.000 1.296 356 A HN -0.847 7.154 8.150 -0.175 0.044 0.405 357 Y N -5.102 115.174 120.300 -0.040 0.000 4.936 357 Y HA -0.489 nan 4.550 nan 0.000 0.260 357 Y C -0.220 175.323 175.900 -0.595 0.000 0.928 357 Y CA 0.136 58.100 58.100 -0.226 0.000 1.869 357 Y CB -2.034 36.376 38.460 -0.083 0.000 1.344 357 Y HN 0.890 8.870 8.280 -0.501 0.000 0.521 358 G N -3.898 104.744 108.800 -0.263 0.000 2.906 358 G HA2 -0.304 nan 3.960 nan 0.000 0.686 358 G HA3 -0.304 nan 3.960 nan 0.000 0.686 358 G C -0.171 174.746 174.900 0.028 0.000 1.170 358 G CA -0.437 44.564 45.100 -0.164 0.000 0.775 358 G HN -0.795 7.329 8.290 -0.138 0.083 0.630 359 H N 3.048 122.027 119.070 -0.152 0.000 2.470 359 H HA 0.154 nan 4.556 nan 0.000 0.289 359 H C 0.159 175.521 175.328 0.057 0.000 1.033 359 H CA 2.237 58.132 56.048 -0.254 0.000 1.331 359 H CB 0.693 30.037 29.762 -0.697 0.000 1.414 359 H HN -0.181 8.199 8.280 0.167 0.000 0.545 360 F N -3.955 116.163 119.950 0.280 0.000 2.523 360 F HA 0.121 nan 4.527 nan 0.000 0.329 360 F C 0.739 176.671 175.800 0.221 0.000 1.061 360 F CA -2.090 56.072 58.000 0.270 0.000 0.967 360 F CB 1.473 40.559 39.000 0.144 0.000 1.218 360 F HN -0.797 7.535 8.300 0.089 0.021 0.480 361 G N 0.490 109.537 108.800 0.412 0.000 2.157 361 G HA2 -0.309 nan 3.960 nan 0.000 0.248 361 G HA3 -0.309 nan 3.960 nan 0.000 0.248 361 G C -0.553 174.442 174.900 0.159 0.000 0.979 361 G CA 0.360 45.608 45.100 0.246 0.000 0.650 361 G HN 0.329 9.385 8.290 0.444 -0.500 0.529 362 R N -0.932 119.662 120.500 0.158 0.000 2.696 362 R HA 0.238 nan 4.340 nan 0.000 0.355 362 R C -0.280 175.891 176.300 -0.216 0.000 1.138 362 R CA -1.461 54.627 56.100 -0.020 0.000 1.059 362 R CB -0.155 30.107 30.300 -0.063 0.000 1.380 362 R HN -0.042 8.352 8.270 0.285 0.048 0.578 363 E N -2.430 117.706 120.200 -0.106 0.000 4.746 363 E HA -0.460 nan 4.350 nan 0.000 0.185 363 E C 0.477 176.965 176.600 -0.188 0.000 1.356 363 E CA 2.955 59.292 56.400 -0.106 0.000 2.233 363 E CB -2.076 27.602 29.700 -0.037 0.000 1.906 363 E HN 0.343 8.646 8.360 -0.006 0.054 0.323 364 H N -2.015 116.833 119.070 -0.370 0.000 2.556 364 H HA 0.048 nan 4.556 nan 0.000 0.268 364 H C 0.099 175.159 175.328 -0.447 0.000 0.996 364 H CA 0.375 56.195 56.048 -0.380 0.000 1.157 364 H CB 0.002 29.543 29.762 -0.369 0.000 1.355 364 H HN -0.124 8.041 8.280 -0.104 0.052 0.597 365 F N 1.460 120.906 119.950 -0.840 0.000 2.379 365 F HA 0.340 nan 4.527 nan 0.000 0.332 365 F C -0.602 174.613 175.800 -0.974 0.000 1.096 365 F CA -3.291 54.037 58.000 -1.121 0.000 1.105 365 F CB -0.057 37.837 39.000 -1.844 0.000 1.189 365 F HN -0.523 7.250 8.300 -0.758 0.072 0.515 366 P HA -0.205 nan 4.420 nan 0.000 0.220 366 P C 0.227 177.374 177.300 -0.255 0.000 1.144 366 P CA 2.158 65.080 63.100 -0.298 0.000 0.800 366 P CB -0.154 31.469 31.700 -0.128 0.000 0.772 367 W N -5.665 115.631 121.300 -0.007 0.000 3.047 367 W HA 0.126 nan 4.660 nan 0.000 0.250 367 W C -0.491 176.154 176.519 0.209 0.000 1.314 367 W CA 0.204 57.552 57.345 0.006 0.000 1.540 367 W CB -1.297 28.127 29.460 -0.060 0.000 1.127 367 W HN -0.434 6.795 8.180 -1.524 0.038 0.679 368 E N -2.880 117.277 120.200 -0.071 0.000 2.474 368 E HA 0.200 nan 4.350 nan 0.000 0.195 368 E C -0.486 176.151 176.600 0.061 0.000 1.039 368 E CA -0.312 56.104 56.400 0.026 0.000 0.881 368 E CB 0.912 30.563 29.700 -0.082 0.000 0.970 368 E HN -0.196 7.893 8.360 -0.348 0.062 0.486 369 K N -0.437 120.038 120.400 0.125 0.000 2.205 369 K HA 0.260 nan 4.320 nan 0.000 0.279 369 K C -0.285 176.395 176.600 0.134 0.000 1.027 369 K CA 0.056 56.412 56.287 0.115 0.000 0.932 369 K CB 0.343 32.905 32.500 0.103 0.000 1.032 369 K HN -0.974 7.324 8.250 0.192 0.067 0.466 370 T N -1.493 113.086 114.554 0.042 0.000 3.264 370 T HA 0.331 nan 4.350 nan 0.000 0.257 370 T C 0.688 175.378 174.700 -0.017 0.000 0.976 370 T CA -1.041 61.044 62.100 -0.026 0.000 0.908 370 T CB -0.670 68.179 68.868 -0.032 0.000 1.082 370 T HN 0.376 8.635 8.240 0.032 0.000 0.567 371 D N 2.120 122.545 120.400 0.041 0.000 2.182 371 D HA -0.343 nan 4.640 nan 0.000 0.201 371 D C 1.167 177.479 176.300 0.020 0.000 0.986 371 D CA 2.639 56.669 54.000 0.051 0.000 0.847 371 D CB -1.060 39.807 40.800 0.113 0.000 0.942 371 D HN 0.159 8.514 8.370 0.099 0.074 0.467 372 K N -1.216 119.184 120.400 -0.000 0.000 2.487 372 K HA -0.013 nan 4.320 nan 0.000 0.192 372 K C 0.953 177.484 176.600 -0.116 0.000 1.027 372 K CA -0.611 55.660 56.287 -0.026 0.000 1.054 372 K CB -0.482 32.052 32.500 0.057 0.000 0.824 372 K HN -0.727 7.609 8.250 -0.036 -0.108 0.510 373 A N -0.173 122.590 122.820 -0.094 0.000 1.884 373 A HA -0.396 nan 4.320 nan 0.000 0.219 373 A C 1.893 179.396 177.584 -0.134 0.000 1.197 373 A CA 3.511 55.484 52.037 -0.107 0.000 0.637 373 A CB -0.814 18.142 19.000 -0.073 0.000 0.827 373 A HN 0.115 8.078 8.150 -0.069 0.145 0.450 374 Q N -1.566 118.167 119.800 -0.111 0.000 1.990 374 Q HA -0.244 nan 4.340 nan 0.000 0.200 374 Q C 2.098 178.001 176.000 -0.162 0.000 0.980 374 Q CA 2.455 58.194 55.803 -0.107 0.000 0.832 374 Q CB -0.566 28.134 28.738 -0.063 0.000 0.897 374 Q HN -0.214 8.005 8.270 -0.085 0.000 0.427 375 L N -1.174 119.936 121.223 -0.189 0.000 2.081 375 L HA -0.382 nan 4.340 nan 0.000 0.212 375 L C 2.401 178.916 176.870 -0.592 0.000 1.080 375 L CA 3.433 58.128 54.840 -0.242 0.000 0.754 375 L CB -0.752 41.224 42.059 -0.138 0.000 0.893 375 L HN -0.162 7.980 8.230 -0.147 0.000 0.433 376 L N -2.263 118.501 121.223 -0.766 0.000 2.046 376 L HA -0.359 nan 4.340 nan 0.000 0.208 376 L C 1.559 178.215 176.870 -0.356 0.000 1.077 376 L CA 3.087 57.450 54.840 -0.794 0.000 0.747 376 L CB -0.491 41.266 42.059 -0.503 0.000 0.896 376 L HN -0.050 7.836 8.230 -0.572 0.000 0.432 377 R N -1.588 118.780 120.500 -0.220 0.000 2.096 377 R HA -0.433 nan 4.340 nan 0.000 0.240 377 R C 2.382 178.627 176.300 -0.091 0.000 1.139 377 R CA 3.240 59.268 56.100 -0.121 0.000 0.952 377 R CB -0.572 29.676 30.300 -0.087 0.000 0.854 377 R HN -0.614 7.433 8.270 -0.220 0.091 0.436 378 D N -0.600 119.744 120.400 -0.094 0.000 2.087 378 D HA -0.265 nan 4.640 nan 0.000 0.192 378 D C 2.287 178.584 176.300 -0.004 0.000 0.993 378 D CA 2.904 56.881 54.000 -0.039 0.000 0.828 378 D CB -0.530 40.257 40.800 -0.021 0.000 0.968 378 D HN -0.283 8.013 8.370 -0.124 0.000 0.448 379 A N -2.470 120.361 122.820 0.017 0.000 2.259 379 A HA -0.125 nan 4.320 nan 0.000 0.212 379 A C -1.002 176.637 177.584 0.091 0.000 1.178 379 A CA 1.223 53.330 52.037 0.117 0.000 0.734 379 A CB -0.159 19.052 19.000 0.351 0.000 0.774 379 A HN -0.616 7.502 8.150 -0.052 0.000 0.481 380 A N -2.979 119.867 122.820 0.042 0.000 2.509 380 A HA 0.211 nan 4.320 nan 0.000 0.282 380 A C -1.348 176.241 177.584 0.008 0.000 1.054 380 A CA -0.038 52.017 52.037 0.030 0.000 0.820 380 A CB 1.273 20.294 19.000 0.035 0.000 1.333 380 A HN -0.918 7.223 8.150 0.013 0.016 0.409 381 G N 3.484 112.287 108.800 0.005 0.000 2.401 381 G HA2 -0.339 nan 3.960 nan 0.000 0.283 381 G HA3 -0.339 nan 3.960 nan 0.000 0.283 381 G C -0.959 173.933 174.900 -0.012 0.000 1.117 381 G CA -0.039 45.060 45.100 -0.003 0.000 1.051 381 G HN 0.000 8.296 8.290 0.010 0.000 0.510 382 L N -1.374 119.841 121.223 -0.014 0.000 2.628 382 L HA -0.269 nan 4.340 nan 0.000 0.292 382 L C -1.213 175.649 176.870 -0.013 0.000 1.250 382 L CA 1.656 56.486 54.840 -0.018 0.000 0.892 382 L CB 0.466 42.516 42.059 -0.014 0.000 1.138 382 L HN -0.781 7.443 8.230 -0.009 0.000 0.502 383 K N 0.000 120.390 120.400 -0.017 0.000 2.780 383 K HA 0.000 nan 4.320 nan 0.000 0.191 383 K CA 0.000 56.279 56.287 -0.013 0.000 0.838 383 K CB 0.000 32.492 32.500 -0.014 0.000 1.064 383 K HN 0.000 8.237 8.250 -0.021 0.000 0.543