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 2ef5_1_E DATA FIRST_RESID 2 DATA SEQUENCE ERVAVVGVPM DLXXXXXGVD MGPSALRYAR LLEQLEDLGY TVEDLGDVPV DATA SEQUENCE SXXXXXXXXX XXLAYLEEIR AAALVLKERL AALPEGVFPI VLGGDHSLSM DATA SEQUENCE GSVAGAARGR RVGVVWVDAH ADFNTPETSX SGNVHGMPLA VLSGLGHPRL DATA SEQUENCE TEVFRAVDPK DVVLVGVRSL DPGEKRLLKE AGVRVYTMHE VDRLGVARIA DATA SEQUENCE EEVLKHLQGL PLHVSLDADV LDPTLAPGVG TPVPGGLTYR EAHLLMEILA DATA SEQUENCE ESGRVQSLDL VEVNPILDER NRTAEMLVGL ALSLLGKRIF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.744 176.600 0.240 0.000 1.382 2 E CA 0.000 56.461 56.400 0.101 0.000 0.976 2 E CB 0.000 29.721 29.700 0.034 0.000 0.812 3 R N 1.332 121.969 120.500 0.230 0.000 2.514 3 R HA 0.735 5.075 4.340 -0.000 0.000 0.301 3 R C -1.229 175.169 176.300 0.163 0.000 0.962 3 R CA -0.726 55.482 56.100 0.180 0.000 0.882 3 R CB 2.835 33.204 30.300 0.116 0.000 1.143 3 R HN -0.106 nan 8.270 nan 0.000 0.452 4 V N 1.587 121.559 119.914 0.097 0.000 2.638 4 V HA 0.646 4.766 4.120 -0.000 0.000 0.306 4 V C -0.789 175.334 176.094 0.048 0.000 1.052 4 V CA -0.825 61.500 62.300 0.042 0.000 0.885 4 V CB 1.972 33.711 31.823 -0.141 0.000 0.999 4 V HN 0.920 nan 8.190 nan 0.000 0.424 5 A N 4.375 127.234 122.820 0.066 0.000 2.318 5 A HA 0.864 5.184 4.320 -0.000 0.000 0.317 5 A C -0.932 176.671 177.584 0.031 0.000 1.159 5 A CA -0.526 51.534 52.037 0.040 0.000 0.799 5 A CB 1.516 20.538 19.000 0.037 0.000 1.194 5 A HN 0.668 nan 8.150 nan 0.000 0.479 6 V N 2.839 122.760 119.914 0.011 0.000 2.398 6 V HA 0.615 4.734 4.120 -0.000 0.000 0.286 6 V C -0.293 175.798 176.094 -0.005 0.000 1.026 6 V CA -0.480 61.819 62.300 -0.000 0.000 0.868 6 V CB 1.342 33.155 31.823 -0.017 0.000 0.982 6 V HN 0.810 nan 8.190 nan 0.000 0.443 7 V N 4.251 124.161 119.914 -0.006 0.000 2.760 7 V HA 0.935 5.055 4.120 -0.000 0.000 0.309 7 V C 0.191 176.276 176.094 -0.015 0.000 1.077 7 V CA 0.069 62.364 62.300 -0.008 0.000 0.910 7 V CB 2.122 33.944 31.823 -0.001 0.000 1.008 7 V HN 0.953 nan 8.190 nan 0.000 0.424 8 G N 3.875 112.664 108.800 -0.019 0.000 2.400 8 G HA2 0.608 4.568 3.960 -0.000 0.000 0.333 8 G HA3 0.608 4.568 3.960 -0.000 0.000 0.333 8 G C -1.245 173.644 174.900 -0.019 0.000 1.143 8 G CA -0.523 44.564 45.100 -0.023 0.000 0.914 8 G HN 0.958 nan 8.290 nan 0.000 0.480 9 V N 3.091 122.992 119.914 -0.022 0.000 2.380 9 V HA 0.269 4.389 4.120 -0.000 0.000 0.268 9 V C -2.026 174.053 176.094 -0.025 0.000 1.008 9 V CA -1.238 61.050 62.300 -0.020 0.000 0.823 9 V CB 1.823 33.635 31.823 -0.019 0.000 1.053 9 V HN 0.712 nan 8.190 nan 0.000 0.446 10 P HA 0.106 nan 4.420 nan 0.000 0.231 10 P C -0.216 177.063 177.300 -0.034 0.000 1.756 10 P CA 0.119 63.203 63.100 -0.027 0.000 0.990 10 P CB 0.247 31.934 31.700 -0.021 0.000 1.973 11 M N 1.854 121.432 119.600 -0.037 0.000 2.180 11 M HA 0.317 4.797 4.480 -0.000 0.000 0.350 11 M C -0.642 175.628 176.300 -0.050 0.000 1.125 11 M CA -0.127 55.146 55.300 -0.045 0.000 1.031 11 M CB 1.137 33.719 32.600 -0.031 0.000 1.623 11 M HN -0.189 nan 8.290 nan 0.000 0.451 12 D N 6.433 126.789 120.400 -0.073 0.000 2.621 12 D HA 0.358 4.998 4.640 -0.000 0.000 0.274 12 D C -1.482 174.749 176.300 -0.115 0.000 1.215 12 D CA -0.025 53.934 54.000 -0.069 0.000 0.810 12 D CB 0.424 41.186 40.800 -0.064 0.000 1.248 12 D HN 0.606 nan 8.370 nan 0.000 0.517 20 V N -0.198 119.690 119.914 -0.043 0.000 3.078 20 V HA -0.023 4.097 4.120 -0.000 0.000 0.265 20 V C 2.156 178.224 176.094 -0.043 0.000 1.122 20 V CA 1.992 64.261 62.300 -0.051 0.000 1.141 20 V CB -0.359 31.418 31.823 -0.078 0.000 0.735 20 V HN 0.374 nan 8.190 nan 0.000 0.498 21 D N 0.514 120.891 120.400 -0.038 0.000 2.350 21 D HA -0.185 4.455 4.640 -0.000 0.000 0.216 21 D C 1.734 178.023 176.300 -0.019 0.000 0.968 21 D CA 1.149 55.129 54.000 -0.033 0.000 0.894 21 D CB -0.283 40.495 40.800 -0.036 0.000 0.909 21 D HN 0.523 nan 8.370 nan 0.000 0.520 22 M N 0.083 119.676 119.600 -0.012 0.000 2.502 22 M HA 0.218 4.697 4.480 -0.000 0.000 0.243 22 M C 2.124 178.431 176.300 0.011 0.000 1.130 22 M CA 0.397 55.700 55.300 0.006 0.000 1.055 22 M CB 0.543 33.148 32.600 0.009 0.000 1.457 22 M HN 0.062 nan 8.290 nan 0.000 0.488 23 G N 2.180 110.974 108.800 -0.009 0.000 2.476 23 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.218 23 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.218 23 G C -1.063 173.832 174.900 -0.009 0.000 1.164 23 G CA 0.765 45.856 45.100 -0.014 0.000 0.768 23 G HN 0.327 nan 8.290 nan 0.000 0.560 24 P HA -0.035 nan 4.420 nan 0.000 0.215 24 P C 2.292 179.582 177.300 -0.016 0.000 1.153 24 P CA 1.625 64.711 63.100 -0.022 0.000 0.853 24 P CB -0.044 31.640 31.700 -0.027 0.000 0.788 25 S N -0.586 115.122 115.700 0.013 0.000 2.368 25 S HA -0.134 4.335 4.470 -0.000 0.000 0.225 25 S C 2.042 176.731 174.600 0.148 0.000 1.030 25 S CA 1.348 59.574 58.200 0.043 0.000 0.999 25 S CB -1.083 62.195 63.200 0.130 0.000 0.844 25 S HN 0.122 nan 8.310 nan 0.000 0.459 26 A N 1.403 124.308 122.820 0.141 0.000 1.902 26 A HA -0.042 4.278 4.320 -0.000 0.000 0.217 26 A C 2.114 179.763 177.584 0.107 0.000 1.181 26 A CA 1.248 53.375 52.037 0.149 0.000 0.623 26 A CB -0.748 18.293 19.000 0.068 0.000 0.818 26 A HN 0.451 nan 8.150 nan 0.000 0.443 27 L N -1.201 120.047 121.223 0.040 0.000 2.093 27 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 27 L C 2.865 179.733 176.870 -0.004 0.000 1.085 27 L CA 1.388 56.234 54.840 0.010 0.000 0.755 27 L CB -0.396 41.651 42.059 -0.019 0.000 0.904 27 L HN 0.336 nan 8.230 nan 0.000 0.435 28 R N -1.316 119.158 120.500 -0.045 0.000 2.092 28 R HA -0.158 4.182 4.340 -0.000 0.000 0.231 28 R C 2.233 178.461 176.300 -0.119 0.000 1.119 28 R CA 1.318 57.347 56.100 -0.118 0.000 0.970 28 R CB -0.357 29.813 30.300 -0.216 0.000 0.864 28 R HN 0.238 nan 8.270 nan 0.000 0.440 29 Y N 0.294 120.589 120.300 -0.009 0.000 2.421 29 Y HA -0.056 4.494 4.550 -0.000 0.000 0.292 29 Y C 2.032 177.930 175.900 -0.004 0.000 1.136 29 Y CA 0.806 58.902 58.100 -0.006 0.000 1.255 29 Y CB -0.116 38.340 38.460 -0.007 0.000 0.991 29 Y HN 0.083 nan 8.280 nan 0.000 0.552 30 A N -0.026 122.872 122.820 0.129 0.000 2.276 30 A HA 0.121 4.441 4.320 -0.000 0.000 0.212 30 A C 0.906 178.520 177.584 0.049 0.000 1.230 30 A CA -0.017 52.068 52.037 0.079 0.000 0.844 30 A CB -0.720 18.314 19.000 0.056 0.000 0.860 30 A HN 0.454 nan 8.150 nan 0.000 0.486 31 R N -2.325 118.198 120.500 0.038 0.000 3.422 31 R HA -0.214 4.126 4.340 -0.000 0.000 0.267 31 R C 0.848 177.150 176.300 0.002 0.000 1.074 31 R CA 0.602 56.711 56.100 0.015 0.000 0.718 31 R CB -2.418 27.898 30.300 0.027 0.000 1.157 31 R HN 0.531 nan 8.270 nan 0.000 0.440 32 L N 0.325 121.542 121.223 -0.010 0.000 2.012 32 L HA -0.150 4.189 4.340 -0.000 0.000 0.210 32 L C 1.978 178.833 176.870 -0.024 0.000 1.073 32 L CA 2.152 56.980 54.840 -0.020 0.000 0.748 32 L CB -0.299 41.741 42.059 -0.032 0.000 0.891 32 L HN 0.507 nan 8.230 nan 0.000 0.431 33 L N -0.850 120.357 121.223 -0.027 0.000 2.017 33 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 33 L C 2.501 179.368 176.870 -0.005 0.000 1.073 33 L CA 1.488 56.314 54.840 -0.022 0.000 0.745 33 L CB -0.291 41.750 42.059 -0.030 0.000 0.894 33 L HN 0.274 nan 8.230 nan 0.000 0.432 34 E N -0.378 119.821 120.200 -0.003 0.000 2.077 34 E HA -0.253 4.096 4.350 -0.000 0.000 0.193 34 E C 2.168 178.777 176.600 0.016 0.000 0.989 34 E CA 1.271 57.675 56.400 0.007 0.000 0.800 34 E CB -0.195 29.510 29.700 0.008 0.000 0.746 34 E HN 0.543 nan 8.360 nan 0.000 0.452 35 Q N -0.152 119.657 119.800 0.014 0.000 2.172 35 Q HA -0.026 4.314 4.340 -0.000 0.000 0.200 35 Q C 2.238 178.259 176.000 0.035 0.000 0.964 35 Q CA 0.716 56.532 55.803 0.022 0.000 0.855 35 Q CB -0.074 28.676 28.738 0.019 0.000 0.918 35 Q HN 0.300 nan 8.270 nan 0.000 0.444 36 L N 0.684 121.922 121.223 0.026 0.000 2.083 36 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 36 L C 2.125 179.074 176.870 0.133 0.000 1.083 36 L CA 1.203 56.077 54.840 0.057 0.000 0.752 36 L CB -0.261 41.780 42.059 -0.031 0.000 0.899 36 L HN 0.263 nan 8.230 nan 0.000 0.433 37 E N -0.154 120.092 120.200 0.077 0.000 2.072 37 E HA -0.206 4.143 4.350 -0.000 0.000 0.191 37 E C 1.633 178.261 176.600 0.046 0.000 0.985 37 E CA 1.121 57.561 56.400 0.068 0.000 0.801 37 E CB -0.073 29.650 29.700 0.038 0.000 0.750 37 E HN 0.463 nan 8.360 nan 0.000 0.452 38 D N 0.766 121.188 120.400 0.037 0.000 2.218 38 D HA -0.136 4.504 4.640 -0.000 0.000 0.204 38 D C 1.730 178.041 176.300 0.019 0.000 0.976 38 D CA 0.618 54.631 54.000 0.022 0.000 0.853 38 D CB -0.034 40.778 40.800 0.020 0.000 0.939 38 D HN 0.078 nan 8.370 nan 0.000 0.481 39 L N -0.497 120.754 121.223 0.047 0.000 2.552 39 L HA 0.171 4.511 4.340 -0.000 0.000 0.227 39 L C 1.494 178.329 176.870 -0.057 0.000 1.146 39 L CA 1.157 56.020 54.840 0.038 0.000 0.858 39 L CB -0.072 42.073 42.059 0.143 0.000 0.969 39 L HN 0.210 nan 8.230 nan 0.000 0.451 40 G N -2.852 105.917 108.800 -0.051 0.000 2.179 40 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.220 40 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.220 40 G C 0.029 174.813 174.900 -0.193 0.000 0.990 40 G CA -0.043 44.974 45.100 -0.138 0.000 0.646 40 G HN 0.250 nan 8.290 nan 0.000 0.517 41 Y N 1.836 122.116 120.300 -0.032 0.000 2.301 41 Y HA 0.528 5.078 4.550 -0.000 0.000 0.325 41 Y C 1.334 177.222 175.900 -0.019 0.000 1.203 41 Y CA 0.396 58.477 58.100 -0.032 0.000 1.255 41 Y CB 1.279 39.708 38.460 -0.052 0.000 1.232 41 Y HN 0.219 nan 8.280 nan 0.000 0.501 42 T N 0.308 114.958 114.554 0.160 0.000 2.771 42 T HA 0.670 5.020 4.350 -0.000 0.000 0.291 42 T C -0.636 174.124 174.700 0.100 0.000 0.954 42 T CA -0.721 61.435 62.100 0.093 0.000 1.045 42 T CB 0.429 69.334 68.868 0.062 0.000 0.917 42 T HN 0.331 nan 8.240 nan 0.000 0.484 43 V N 3.098 123.051 119.914 0.065 0.000 2.628 43 V HA 0.642 4.762 4.120 -0.000 0.000 0.306 43 V C -0.117 175.992 176.094 0.025 0.000 1.045 43 V CA -0.940 61.384 62.300 0.040 0.000 0.905 43 V CB 1.692 33.528 31.823 0.022 0.000 0.997 43 V HN 1.065 nan 8.190 nan 0.000 0.436 44 E N 2.278 122.490 120.200 0.019 0.000 2.246 44 E HA 0.316 4.666 4.350 -0.000 0.000 0.266 44 E C -1.592 175.010 176.600 0.004 0.000 0.880 44 E CA -0.632 55.776 56.400 0.012 0.000 0.762 44 E CB 1.776 31.487 29.700 0.019 0.000 1.180 44 E HN 0.700 nan 8.360 nan 0.000 0.416 45 D N 5.216 125.613 120.400 -0.005 0.000 2.347 45 D HA 0.145 4.784 4.640 -0.000 0.000 0.235 45 D C 0.726 177.020 176.300 -0.010 0.000 1.149 45 D CA -0.264 53.727 54.000 -0.014 0.000 0.850 45 D CB 1.116 41.900 40.800 -0.027 0.000 1.061 45 D HN 0.603 nan 8.370 nan 0.000 0.487 46 L N 3.211 124.430 121.223 -0.006 0.000 2.599 46 L HA 0.216 4.556 4.340 -0.000 0.000 0.230 46 L C 1.591 178.457 176.870 -0.007 0.000 1.141 46 L CA 0.175 55.013 54.840 -0.003 0.000 0.877 46 L CB -0.794 41.266 42.059 0.002 0.000 1.009 46 L HN 0.647 nan 8.230 nan 0.000 0.447 47 G N 0.471 109.262 108.800 -0.015 0.000 2.542 47 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.235 47 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.235 47 G C -0.889 174.001 174.900 -0.016 0.000 1.286 47 G CA -0.454 44.635 45.100 -0.018 0.000 0.904 47 G HN 0.207 nan 8.290 nan 0.000 0.577 48 D N -0.622 119.769 120.400 -0.014 0.000 2.269 48 D HA 0.569 5.208 4.640 -0.000 0.000 0.244 48 D C 0.203 176.500 176.300 -0.005 0.000 0.992 48 D CA -0.370 53.623 54.000 -0.012 0.000 0.894 48 D CB 1.909 42.701 40.800 -0.014 0.000 1.248 48 D HN 0.411 nan 8.370 nan 0.000 0.468 49 V N 2.839 122.751 119.914 -0.004 0.000 2.530 49 V HA 0.206 4.326 4.120 -0.000 0.000 0.282 49 V C -1.980 174.114 176.094 0.001 0.000 1.048 49 V CA -1.290 61.012 62.300 0.003 0.000 0.997 49 V CB 1.040 32.866 31.823 0.006 0.000 0.987 49 V HN 0.397 nan 8.190 nan 0.000 0.477 50 P HA 0.148 nan 4.420 nan 0.000 0.264 50 P C -1.019 176.283 177.300 0.003 0.000 1.193 50 P CA 0.181 63.283 63.100 0.004 0.000 0.763 50 P CB 0.430 32.136 31.700 0.009 0.000 0.810 51 V N 2.078 121.989 119.914 -0.005 0.000 2.525 51 V HA 0.686 4.806 4.120 -0.000 0.000 0.299 51 V C 0.463 176.547 176.094 -0.017 0.000 1.034 51 V CA -0.188 62.105 62.300 -0.012 0.000 0.863 51 V CB 0.962 32.769 31.823 -0.025 0.000 0.999 51 V HN 0.705 nan 8.190 nan 0.000 0.423 65 A N 0.350 123.110 122.820 -0.099 0.000 2.563 65 A HA 0.142 4.462 4.320 -0.000 0.000 0.256 65 A C -0.171 177.411 177.584 -0.002 0.000 1.056 65 A CA 0.642 52.599 52.037 -0.132 0.000 0.775 65 A CB -1.181 17.804 19.000 -0.025 0.000 0.973 65 A HN 0.526 nan 8.150 nan 0.000 0.516 66 Y N -0.205 120.074 120.300 -0.034 0.000 3.978 66 Y HA -0.277 4.273 4.550 -0.000 0.000 0.219 66 Y C 1.273 177.153 175.900 -0.033 0.000 1.153 66 Y CA 0.839 58.924 58.100 -0.024 0.000 1.718 66 Y CB -2.254 36.202 38.460 -0.006 0.000 1.541 66 Y HN 0.683 nan 8.280 nan 0.000 0.640 67 L N 0.075 121.314 121.223 0.027 0.000 2.013 67 L HA -0.273 4.066 4.340 -0.000 0.000 0.212 67 L C 2.314 179.195 176.870 0.018 0.000 1.073 67 L CA 2.087 56.914 54.840 -0.022 0.000 0.753 67 L CB -0.092 41.866 42.059 -0.168 0.000 0.890 67 L HN 0.242 nan 8.230 nan 0.000 0.432 68 E N -0.011 120.197 120.200 0.014 0.000 2.106 68 E HA -0.234 4.116 4.350 -0.000 0.000 0.192 68 E C 2.083 178.727 176.600 0.073 0.000 0.984 68 E CA 1.353 57.775 56.400 0.037 0.000 0.806 68 E CB -0.100 29.614 29.700 0.022 0.000 0.750 68 E HN 0.617 nan 8.360 nan 0.000 0.458 69 E N 0.571 120.831 120.200 0.100 0.000 2.106 69 E HA -0.064 4.286 4.350 -0.000 0.000 0.192 69 E C 2.167 178.817 176.600 0.083 0.000 0.984 69 E CA 0.566 57.027 56.400 0.102 0.000 0.806 69 E CB -0.150 29.638 29.700 0.147 0.000 0.750 69 E HN 0.244 nan 8.360 nan 0.000 0.458 70 I N 0.481 121.106 120.570 0.092 0.000 2.202 70 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 70 I C 2.607 178.784 176.117 0.100 0.000 1.091 70 I CA 1.017 62.358 61.300 0.069 0.000 1.368 70 I CB -0.221 37.816 38.000 0.063 0.000 1.058 70 I HN 0.043 nan 8.210 nan 0.000 0.410 71 R N 1.309 121.902 120.500 0.156 0.000 2.091 71 R HA -0.215 4.124 4.340 -0.000 0.000 0.238 71 R C 2.370 178.822 176.300 0.252 0.000 1.136 71 R CA 1.788 58.063 56.100 0.291 0.000 0.959 71 R CB -0.276 30.144 30.300 0.201 0.000 0.856 71 R HN 0.364 nan 8.270 nan 0.000 0.437 72 A N 0.683 123.587 122.820 0.140 0.000 1.877 72 A HA -0.125 4.194 4.320 -0.000 0.000 0.216 72 A C 2.381 180.027 177.584 0.103 0.000 1.186 72 A CA 1.822 53.921 52.037 0.105 0.000 0.620 72 A CB -0.889 18.153 19.000 0.069 0.000 0.822 72 A HN 0.561 nan 8.150 nan 0.000 0.443 73 A N -0.239 122.630 122.820 0.082 0.000 1.877 73 A HA 0.176 4.496 4.320 -0.000 0.000 0.216 73 A C 2.517 180.138 177.584 0.061 0.000 1.186 73 A CA 2.145 54.215 52.037 0.054 0.000 0.620 73 A CB -1.092 17.923 19.000 0.025 0.000 0.822 73 A HN 1.130 nan 8.150 nan 0.000 0.443 74 A N -0.889 121.968 122.820 0.062 0.000 1.972 74 A HA -0.020 4.300 4.320 -0.000 0.000 0.219 74 A C 2.084 179.780 177.584 0.187 0.000 1.169 74 A CA 1.702 53.734 52.037 -0.009 0.000 0.635 74 A CB -0.494 18.301 19.000 -0.342 0.000 0.810 74 A HN 0.549 nan 8.150 nan 0.000 0.446 75 L N -0.342 121.079 121.223 0.330 0.000 2.109 75 L HA -0.055 4.285 4.340 -0.000 0.000 0.207 75 L C 2.403 179.363 176.870 0.150 0.000 1.086 75 L CA 1.568 56.583 54.840 0.291 0.000 0.760 75 L CB -0.426 41.741 42.059 0.180 0.000 0.910 75 L HN 0.160 nan 8.230 nan 0.000 0.437 76 V N -0.607 119.370 119.914 0.105 0.000 2.343 76 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 76 V C 2.441 178.570 176.094 0.058 0.000 1.051 76 V CA 1.592 63.931 62.300 0.065 0.000 1.036 76 V CB -0.640 31.212 31.823 0.047 0.000 0.654 76 V HN 0.474 nan 8.190 nan 0.000 0.451 77 L N 0.635 121.893 121.223 0.058 0.000 2.017 77 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 77 L C 2.454 179.356 176.870 0.053 0.000 1.073 77 L CA 2.314 57.178 54.840 0.040 0.000 0.745 77 L CB -0.847 41.223 42.059 0.018 0.000 0.894 77 L HN 0.286 nan 8.230 nan 0.000 0.432 78 K N -0.374 120.080 120.400 0.091 0.000 2.032 78 K HA -0.241 4.079 4.320 -0.000 0.000 0.209 78 K C 1.891 178.534 176.600 0.071 0.000 1.048 78 K CA 2.136 58.486 56.287 0.104 0.000 0.927 78 K CB -0.211 32.410 32.500 0.200 0.000 0.712 78 K HN 0.560 nan 8.250 nan 0.000 0.441 79 E N -0.079 120.162 120.200 0.068 0.000 2.077 79 E HA -0.222 4.127 4.350 -0.000 0.000 0.193 79 E C 2.198 178.818 176.600 0.034 0.000 0.989 79 E CA 1.008 57.434 56.400 0.045 0.000 0.800 79 E CB -0.100 29.624 29.700 0.040 0.000 0.746 79 E HN 0.185 nan 8.360 nan 0.000 0.452 80 R N 1.290 121.810 120.500 0.033 0.000 2.081 80 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 80 R C 2.132 178.445 176.300 0.021 0.000 1.131 80 R CA 1.217 57.331 56.100 0.024 0.000 0.960 80 R CB -0.379 29.934 30.300 0.022 0.000 0.856 80 R HN 0.155 nan 8.270 nan 0.000 0.436 81 L N -0.479 120.757 121.223 0.023 0.000 2.109 81 L HA 0.012 4.351 4.340 -0.000 0.000 0.207 81 L C 2.449 179.328 176.870 0.015 0.000 1.086 81 L CA 1.139 55.988 54.840 0.016 0.000 0.760 81 L CB -0.626 41.442 42.059 0.015 0.000 0.910 81 L HN 0.320 nan 8.230 nan 0.000 0.437 82 A N 0.129 122.962 122.820 0.022 0.000 2.015 82 A HA -0.072 4.247 4.320 -0.000 0.000 0.219 82 A C 2.384 179.978 177.584 0.016 0.000 1.163 82 A CA 1.519 53.568 52.037 0.019 0.000 0.646 82 A CB -0.454 18.561 19.000 0.024 0.000 0.806 82 A HN 0.389 nan 8.150 nan 0.000 0.448 83 A N -0.783 122.047 122.820 0.017 0.000 2.169 83 A HA 0.385 4.705 4.320 -0.000 0.000 0.212 83 A C 0.922 178.515 177.584 0.015 0.000 1.153 83 A CA -0.173 51.873 52.037 0.016 0.000 0.756 83 A CB -0.371 18.639 19.000 0.016 0.000 0.813 83 A HN 0.436 nan 8.150 nan 0.000 0.471 84 L N 1.847 123.080 121.223 0.015 0.000 2.485 84 L HA 0.154 4.494 4.340 -0.000 0.000 0.275 84 L C -1.786 175.095 176.870 0.019 0.000 1.207 84 L CA -1.551 53.300 54.840 0.017 0.000 0.855 84 L CB 0.326 42.394 42.059 0.015 0.000 1.114 84 L HN 0.186 nan 8.230 nan 0.000 0.485 85 P HA 0.045 nan 4.420 nan 0.000 0.268 85 P C -0.746 176.571 177.300 0.027 0.000 1.205 85 P CA -0.260 62.855 63.100 0.024 0.000 0.771 85 P CB 0.541 32.257 31.700 0.026 0.000 0.858 86 E N 0.632 120.847 120.200 0.025 0.000 2.415 86 E HA 0.265 4.615 4.350 -0.000 0.000 0.262 86 E C 1.159 177.784 176.600 0.041 0.000 1.038 86 E CA 0.722 57.139 56.400 0.028 0.000 0.921 86 E CB -0.094 29.621 29.700 0.024 0.000 0.950 86 E HN 0.808 nan 8.360 nan 0.000 0.438 87 G N 1.495 110.326 108.800 0.052 0.000 2.195 87 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.224 87 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.224 87 G C 0.064 175.025 174.900 0.102 0.000 0.990 87 G CA -0.108 45.037 45.100 0.075 0.000 0.639 87 G HN 0.413 nan 8.290 nan 0.000 0.514 88 V N 1.893 121.858 119.914 0.085 0.000 2.348 88 V HA 0.540 4.659 4.120 -0.000 0.000 0.270 88 V C 0.241 176.406 176.094 0.118 0.000 1.037 88 V CA -0.642 61.720 62.300 0.103 0.000 0.872 88 V CB 1.081 32.945 31.823 0.068 0.000 1.002 88 V HN 0.341 nan 8.190 nan 0.000 0.464 89 F N 9.424 129.373 119.950 -0.002 0.000 2.471 89 F HA 0.395 4.921 4.527 -0.000 0.000 0.365 89 F C -1.801 173.968 175.800 -0.051 0.000 1.095 89 F CA -1.763 56.217 58.000 -0.033 0.000 1.174 89 F CB 1.006 39.959 39.000 -0.078 0.000 1.105 89 F HN 0.326 nan 8.300 nan 0.000 0.535 90 P HA 0.320 nan 4.420 nan 0.000 0.296 90 P C -0.963 176.335 177.300 -0.004 0.000 1.306 90 P CA -0.215 62.864 63.100 -0.036 0.000 0.818 90 P CB 1.924 33.576 31.700 -0.079 0.000 0.969 91 I N 3.373 123.989 120.570 0.077 0.000 2.410 91 I HA 0.258 4.428 4.170 -0.000 0.000 0.286 91 I C -0.160 175.963 176.117 0.011 0.000 1.009 91 I CA -1.099 60.240 61.300 0.065 0.000 1.111 91 I CB 2.183 40.223 38.000 0.068 0.000 1.262 91 I HN -0.009 nan 8.210 nan 0.000 0.443 92 V N 7.294 127.205 119.914 -0.005 0.000 2.394 92 V HA 0.379 4.498 4.120 -0.000 0.000 0.282 92 V C 0.176 176.250 176.094 -0.033 0.000 1.031 92 V CA -0.543 61.751 62.300 -0.011 0.000 0.881 92 V CB 1.492 33.318 31.823 0.005 0.000 0.982 92 V HN 0.470 nan 8.190 nan 0.000 0.451 93 L N 4.992 126.194 121.223 -0.035 0.000 2.275 93 L HA 0.808 5.148 4.340 -0.000 0.000 0.288 93 L C 0.751 177.591 176.870 -0.050 0.000 1.046 93 L CA 0.033 54.845 54.840 -0.048 0.000 0.805 93 L CB 1.174 43.209 42.059 -0.041 0.000 1.193 93 L HN 0.780 nan 8.230 nan 0.000 0.426 94 G N 1.185 109.944 108.800 -0.069 0.000 3.015 94 G HA2 0.688 4.648 3.960 -0.000 0.000 0.281 94 G HA3 0.688 4.648 3.960 -0.000 0.000 0.281 94 G C -0.245 174.614 174.900 -0.067 0.000 1.386 94 G CA 0.015 45.076 45.100 -0.064 0.000 0.959 94 G HN 0.663 nan 8.290 nan 0.000 0.522 95 G N -1.139 107.626 108.800 -0.058 0.000 3.345 95 G HA2 0.388 4.347 3.960 -0.000 0.000 0.202 95 G HA3 0.388 4.347 3.960 -0.000 0.000 0.202 95 G C -0.478 174.382 174.900 -0.067 0.000 1.740 95 G CA -0.258 44.806 45.100 -0.060 0.000 0.806 95 G HN 0.503 nan 8.290 nan 0.000 0.718 96 D N -0.063 120.310 120.400 -0.044 0.000 2.506 96 D HA -0.006 4.634 4.640 -0.000 0.000 0.234 96 D C 0.737 177.078 176.300 0.069 0.000 1.143 96 D CA 0.467 54.463 54.000 -0.007 0.000 0.871 96 D CB 0.888 41.730 40.800 0.071 0.000 1.190 96 D HN 0.509 nan 8.370 nan 0.000 0.459 97 H N 0.584 119.664 119.070 0.017 0.000 2.559 97 H HA -0.053 4.502 4.556 -0.000 0.000 0.273 97 H C 1.518 176.913 175.328 0.112 0.000 1.000 97 H CA 0.193 56.272 56.048 0.051 0.000 1.195 97 H CB 0.510 30.342 29.762 0.116 0.000 1.368 97 H HN 0.209 nan 8.280 nan 0.000 0.592 98 S N 0.613 116.455 115.700 0.236 0.000 2.419 98 S HA -0.158 4.311 4.470 -0.000 0.000 0.235 98 S C 2.037 176.652 174.600 0.026 0.000 1.019 98 S CA 1.101 59.374 58.200 0.121 0.000 0.982 98 S CB -0.201 63.056 63.200 0.095 0.000 0.789 98 S HN 0.495 nan 8.310 nan 0.000 0.490 99 L N 0.602 121.851 121.223 0.043 0.000 2.265 99 L HA 0.086 4.426 4.340 -0.000 0.000 0.215 99 L C 1.815 178.670 176.870 -0.025 0.000 1.117 99 L CA 1.395 56.224 54.840 -0.019 0.000 0.782 99 L CB -1.247 40.811 42.059 -0.002 0.000 0.914 99 L HN -0.041 nan 8.230 nan 0.000 0.441 100 S N -0.176 115.574 115.700 0.083 0.000 2.442 100 S HA -0.033 4.437 4.470 -0.000 0.000 0.236 100 S C 1.844 176.434 174.600 -0.018 0.000 1.007 100 S CA 1.632 59.896 58.200 0.106 0.000 0.965 100 S CB -0.458 62.923 63.200 0.302 0.000 0.773 100 S HN 0.526 nan 8.310 nan 0.000 0.504 101 M N 0.606 120.107 119.600 -0.164 0.000 2.117 101 M HA -0.069 4.411 4.480 -0.000 0.000 0.262 101 M C 2.442 178.453 176.300 -0.480 0.000 1.065 101 M CA 1.629 56.701 55.300 -0.381 0.000 1.114 101 M CB -0.709 31.443 32.600 -0.746 0.000 1.361 101 M HN 0.449 nan 8.290 nan 0.000 0.408 102 G N -0.297 108.210 108.800 -0.489 0.000 2.426 102 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.214 102 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.214 102 G C 1.648 176.521 174.900 -0.045 0.000 1.156 102 G CA 0.809 45.785 45.100 -0.207 0.000 0.802 102 G HN 0.537 nan 8.290 nan 0.000 0.534 103 S N 0.602 116.271 115.700 -0.051 0.000 2.355 103 S HA -0.102 4.368 4.470 -0.000 0.000 0.222 103 S C 2.297 176.861 174.600 -0.061 0.000 1.031 103 S CA 1.490 59.687 58.200 -0.005 0.000 0.993 103 S CB -0.616 62.619 63.200 0.059 0.000 0.859 103 S HN 0.072 nan 8.310 nan 0.000 0.453 104 V N 2.815 122.623 119.914 -0.177 0.000 2.307 104 V HA -0.070 4.049 4.120 -0.000 0.000 0.245 104 V C 3.200 179.232 176.094 -0.102 0.000 1.045 104 V CA 1.636 63.747 62.300 -0.316 0.000 1.024 104 V CB -1.582 30.053 31.823 -0.313 0.000 0.651 104 V HN 0.675 nan 8.190 nan 0.000 0.449 105 A N 0.544 123.358 122.820 -0.011 0.000 1.902 105 A HA -0.099 4.220 4.320 -0.000 0.000 0.217 105 A C 2.389 180.003 177.584 0.050 0.000 1.181 105 A CA 2.069 54.143 52.037 0.062 0.000 0.623 105 A CB -1.163 17.951 19.000 0.190 0.000 0.818 105 A HN 0.530 nan 8.150 nan 0.000 0.443 106 G N -0.828 107.999 108.800 0.046 0.000 2.394 106 G HA2 0.105 4.065 3.960 -0.000 0.000 0.214 106 G HA3 0.105 4.065 3.960 -0.000 0.000 0.214 106 G C 1.681 176.592 174.900 0.018 0.000 1.176 106 G CA 1.137 46.261 45.100 0.039 0.000 0.786 106 G HN 0.807 nan 8.290 nan 0.000 0.533 107 A N 0.864 123.689 122.820 0.008 0.000 2.119 107 A HA 0.441 4.761 4.320 -0.000 0.000 0.217 107 A C 2.647 180.234 177.584 0.005 0.000 1.153 107 A CA 1.726 53.766 52.037 0.005 0.000 0.692 107 A CB -0.420 18.605 19.000 0.043 0.000 0.799 107 A HN 0.647 nan 8.150 nan 0.000 0.458 108 A N -0.625 122.196 122.820 0.003 0.000 1.969 108 A HA 0.018 4.337 4.320 -0.000 0.000 0.218 108 A C 1.344 178.935 177.584 0.012 0.000 1.169 108 A CA 0.962 53.005 52.037 0.009 0.000 0.635 108 A CB -0.307 18.697 19.000 0.007 0.000 0.810 108 A HN 0.530 nan 8.150 nan 0.000 0.445 109 R N -2.503 118.005 120.500 0.012 0.000 3.332 109 R HA -0.201 4.139 4.340 -0.000 0.000 0.263 109 R C 0.969 177.277 176.300 0.013 0.000 1.053 109 R CA 0.379 56.487 56.100 0.012 0.000 0.705 109 R CB -2.517 27.789 30.300 0.010 0.000 1.166 109 R HN 1.617 nan 8.270 nan 0.000 0.427 110 G N -0.486 108.322 108.800 0.014 0.000 2.196 110 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.268 110 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.268 110 G C 0.288 175.195 174.900 0.011 0.000 0.975 110 G CA 0.947 46.054 45.100 0.012 0.000 0.648 110 G HN 0.370 nan 8.290 nan 0.000 0.538 111 R N 0.323 120.831 120.500 0.013 0.000 2.573 111 R HA 0.605 4.944 4.340 -0.000 0.000 0.272 111 R C 0.605 176.916 176.300 0.017 0.000 1.009 111 R CA -1.795 54.313 56.100 0.014 0.000 1.059 111 R CB 0.362 30.671 30.300 0.015 0.000 1.112 111 R HN 0.283 nan 8.270 nan 0.000 0.517 112 R N 2.196 122.706 120.500 0.017 0.000 2.343 112 R HA 0.220 4.560 4.340 -0.000 0.000 0.326 112 R C -0.579 175.737 176.300 0.027 0.000 1.055 112 R CA -0.166 55.946 56.100 0.019 0.000 0.961 112 R CB -0.195 30.113 30.300 0.013 0.000 0.978 112 R HN 0.406 nan 8.270 nan 0.000 0.443 113 V N 1.449 121.384 119.914 0.035 0.000 2.769 113 V HA 0.789 4.909 4.120 -0.000 0.000 0.312 113 V C 0.220 176.355 176.094 0.069 0.000 1.061 113 V CA -0.824 61.508 62.300 0.052 0.000 0.931 113 V CB 1.837 33.696 31.823 0.060 0.000 1.010 113 V HN 0.730 nan 8.190 nan 0.000 0.433 114 G N 1.819 110.670 108.800 0.085 0.000 2.420 114 G HA2 0.568 4.528 3.960 -0.000 0.000 0.284 114 G HA3 0.568 4.528 3.960 -0.000 0.000 0.284 114 G C -0.852 174.142 174.900 0.156 0.000 1.177 114 G CA -0.571 44.593 45.100 0.105 0.000 0.841 114 G HN 1.073 nan 8.290 nan 0.000 0.527 115 V N 2.082 122.106 119.914 0.183 0.000 2.409 115 V HA 0.314 4.434 4.120 -0.000 0.000 0.291 115 V C -0.241 176.022 176.094 0.281 0.000 1.020 115 V CA -0.652 61.806 62.300 0.264 0.000 0.848 115 V CB 1.725 33.713 31.823 0.274 0.000 0.990 115 V HN 0.513 nan 8.190 nan 0.000 0.430 116 V N 4.634 124.718 119.914 0.283 0.000 2.294 116 V HA 0.298 4.418 4.120 -0.000 0.000 0.272 116 V C -0.387 175.893 176.094 0.310 0.000 1.027 116 V CA -0.503 61.946 62.300 0.249 0.000 0.823 116 V CB 1.287 33.202 31.823 0.154 0.000 1.030 116 V HN 0.900 nan 8.190 nan 0.000 0.457 117 W N 6.066 127.443 121.300 0.128 0.000 2.317 117 W HA 0.486 5.146 4.660 -0.000 0.000 0.327 117 W C -0.851 175.742 176.519 0.123 0.000 1.036 117 W CA -0.501 56.930 57.345 0.143 0.000 1.419 117 W CB 1.706 31.241 29.460 0.124 0.000 1.253 117 W HN 0.355 nan 8.180 nan 0.000 0.392 118 V N 6.603 126.575 119.914 0.097 0.000 2.320 118 V HA 0.224 4.344 4.120 -0.000 0.000 0.265 118 V C -0.100 176.014 176.094 0.034 0.000 1.048 118 V CA 0.006 62.344 62.300 0.064 0.000 0.865 118 V CB 0.800 32.617 31.823 -0.009 0.000 1.043 118 V HN 0.407 nan 8.190 nan 0.000 0.474 119 D N 3.063 123.549 120.400 0.143 0.000 2.623 119 D HA 0.517 5.157 4.640 -0.000 0.000 0.241 119 D C 0.506 176.886 176.300 0.134 0.000 1.241 119 D CA -0.070 54.034 54.000 0.173 0.000 0.788 119 D CB 2.740 43.774 40.800 0.389 0.000 1.413 119 D HN 0.342 nan 8.370 nan 0.000 0.429 120 A N 1.415 124.264 122.820 0.048 0.000 2.119 120 A HA 0.079 4.399 4.320 -0.000 0.000 0.216 120 A C 0.313 177.713 177.584 -0.306 0.000 1.152 120 A CA 1.109 53.054 52.037 -0.153 0.000 0.708 120 A CB -0.320 18.516 19.000 -0.274 0.000 0.805 120 A HN 0.559 nan 8.150 nan 0.000 0.460 121 H N -3.614 115.570 119.070 0.190 0.000 2.710 121 H HA 0.651 5.207 4.556 -0.000 0.000 0.361 121 H C 0.894 176.368 175.328 0.244 0.000 1.175 121 H CA -0.114 56.050 56.048 0.194 0.000 1.206 121 H CB 1.720 31.602 29.762 0.200 0.000 1.750 121 H HN 0.031 nan 8.280 nan 0.000 0.553 122 A N 0.042 123.033 122.820 0.284 0.000 2.147 122 A HA 0.035 4.354 4.320 -0.000 0.000 0.211 122 A C 0.210 177.837 177.584 0.072 0.000 1.160 122 A CA 0.405 52.526 52.037 0.139 0.000 0.781 122 A CB -0.194 18.836 19.000 0.050 0.000 0.842 122 A HN 0.852 nan 8.150 nan 0.000 0.475 123 D N -2.176 118.331 120.400 0.179 0.000 2.701 123 D HA -0.206 4.433 4.640 -0.000 0.000 0.235 123 D C -0.197 176.095 176.300 -0.012 0.000 1.155 123 D CA 0.857 54.910 54.000 0.089 0.000 0.649 123 D CB -1.422 39.450 40.800 0.120 0.000 1.050 123 D HN 0.489 nan 8.370 nan 0.000 0.425 124 F N 0.654 120.526 119.950 -0.129 0.000 2.772 124 F HA 0.239 4.766 4.527 -0.000 0.000 0.302 124 F C 0.818 176.570 175.800 -0.080 0.000 1.136 124 F CA -0.521 57.393 58.000 -0.144 0.000 1.322 124 F CB 0.128 39.042 39.000 -0.143 0.000 0.967 124 F HN -0.195 nan 8.300 nan 0.000 0.513 125 N N -0.427 118.249 118.700 -0.040 0.000 2.463 125 N HA 0.440 5.179 4.740 -0.000 0.000 0.270 125 N C 0.025 175.463 175.510 -0.120 0.000 1.205 125 N CA -0.025 52.997 53.050 -0.047 0.000 0.974 125 N CB 0.930 39.408 38.487 -0.015 0.000 1.197 125 N HN 0.147 nan 8.380 nan 0.000 0.504 126 T N -2.772 111.731 114.554 -0.084 0.000 2.888 126 T HA 0.394 4.744 4.350 -0.000 0.000 0.288 126 T C -2.257 172.420 174.700 -0.038 0.000 1.063 126 T CA -1.809 60.243 62.100 -0.080 0.000 1.010 126 T CB 1.744 70.563 68.868 -0.081 0.000 1.214 126 T HN 0.109 nan 8.240 nan 0.000 0.533 127 P HA -0.034 nan 4.420 nan 0.000 0.219 127 P C 0.993 178.290 177.300 -0.004 0.000 1.146 127 P CA 1.010 64.113 63.100 0.005 0.000 0.808 127 P CB 0.088 31.818 31.700 0.051 0.000 0.779 128 E N -1.248 118.946 120.200 -0.011 0.000 2.072 128 E HA -0.107 4.243 4.350 -0.000 0.000 0.190 128 E C 1.982 178.578 176.600 -0.007 0.000 0.982 128 E CA 1.763 58.157 56.400 -0.010 0.000 0.803 128 E CB -1.439 28.253 29.700 -0.014 0.000 0.755 128 E HN 0.345 nan 8.360 nan 0.000 0.453 129 T N -2.977 111.572 114.554 -0.009 0.000 3.055 129 T HA 0.204 4.554 4.350 -0.000 0.000 0.265 129 T C 0.725 175.426 174.700 0.003 0.000 1.111 129 T CA 0.400 62.500 62.100 0.001 0.000 1.118 129 T CB 0.115 68.988 68.868 0.008 0.000 0.909 129 T HN 0.047 nan 8.240 nan 0.000 0.501 133 G N 1.159 109.933 108.800 -0.045 0.000 2.168 133 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.263 133 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.263 133 G C -0.103 174.737 174.900 -0.101 0.000 0.977 133 G CA 0.241 45.306 45.100 -0.058 0.000 0.659 133 G HN 0.798 nan 8.290 nan 0.000 0.533 134 N N 0.015 118.621 118.700 -0.158 0.000 2.452 134 N HA 0.317 5.057 4.740 -0.000 0.000 0.266 134 N C 1.592 176.892 175.510 -0.350 0.000 1.209 134 N CA -0.109 52.733 53.050 -0.348 0.000 0.929 134 N CB 1.399 39.523 38.487 -0.604 0.000 1.063 134 N HN 0.020 nan 8.380 nan 0.000 0.472 135 V N 2.217 121.970 119.914 -0.268 0.000 2.626 135 V HA -0.230 3.890 4.120 -0.000 0.000 0.252 135 V C 1.554 177.591 176.094 -0.095 0.000 1.067 135 V CA 1.546 63.765 62.300 -0.135 0.000 1.081 135 V CB -1.015 30.779 31.823 -0.049 0.000 0.686 135 V HN 0.804 nan 8.190 nan 0.000 0.468 136 H N 0.011 119.103 119.070 0.037 0.000 2.567 136 H HA 0.189 4.745 4.556 -0.000 0.000 0.276 136 H C 1.677 177.045 175.328 0.067 0.000 1.016 136 H CA 0.873 56.959 56.048 0.064 0.000 1.186 136 H CB -0.590 29.215 29.762 0.072 0.000 1.351 136 H HN 0.320 nan 8.280 nan 0.000 0.605 137 G N -0.222 108.601 108.800 0.039 0.000 3.277 137 G HA2 0.217 4.177 3.960 -0.000 0.000 0.243 137 G HA3 0.217 4.177 3.960 -0.000 0.000 0.243 137 G C 0.730 175.635 174.900 0.008 0.000 1.107 137 G CA -0.122 45.018 45.100 0.066 0.000 0.771 137 G HN 0.468 nan 8.290 nan 0.000 0.544 138 M N 0.245 119.830 119.600 -0.026 0.000 2.289 138 M HA 0.199 4.679 4.480 -0.000 0.000 0.335 138 M C -1.256 174.967 176.300 -0.128 0.000 0.961 138 M CA -0.511 54.734 55.300 -0.092 0.000 1.018 138 M CB 0.888 33.435 32.600 -0.089 0.000 1.678 138 M HN -0.115 nan 8.290 nan 0.000 0.589 139 P HA -0.193 nan 4.420 nan 0.000 0.216 139 P C 1.587 178.748 177.300 -0.232 0.000 1.153 139 P CA 1.282 64.334 63.100 -0.081 0.000 0.858 139 P CB 0.129 31.873 31.700 0.074 0.000 0.789 140 L N -0.254 120.674 121.223 -0.491 0.000 2.141 140 L HA 0.021 4.361 4.340 -0.000 0.000 0.209 140 L C 2.552 179.175 176.870 -0.412 0.000 1.094 140 L CA 1.717 56.162 54.840 -0.658 0.000 0.763 140 L CB -1.604 39.812 42.059 -1.071 0.000 0.908 140 L HN -0.089 nan 8.230 nan 0.000 0.437 141 A N -1.125 121.332 122.820 -0.605 0.000 1.858 141 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 141 A C 2.264 179.572 177.584 -0.460 0.000 1.190 141 A CA 1.953 53.399 52.037 -0.984 0.000 0.617 141 A CB -1.113 17.343 19.000 -0.907 0.000 0.827 141 A HN 0.246 nan 8.150 nan 0.000 0.443 142 V N 0.284 120.035 119.914 -0.270 0.000 2.252 142 V HA -0.311 3.808 4.120 -0.000 0.000 0.249 142 V C 2.584 178.640 176.094 -0.063 0.000 1.056 142 V CA 2.194 64.428 62.300 -0.110 0.000 1.022 142 V CB -0.852 30.960 31.823 -0.018 0.000 0.641 142 V HN 0.584 nan 8.190 nan 0.000 0.445 143 L N -0.083 121.095 121.223 -0.075 0.000 2.187 143 L HA -0.168 4.172 4.340 -0.000 0.000 0.213 143 L C 2.237 179.092 176.870 -0.025 0.000 1.100 143 L CA 1.543 56.368 54.840 -0.025 0.000 0.765 143 L CB -0.458 41.577 42.059 -0.039 0.000 0.904 143 L HN 0.297 nan 8.230 nan 0.000 0.437 144 S N -0.719 114.940 115.700 -0.068 0.000 2.593 144 S HA 0.177 4.647 4.470 -0.000 0.000 0.217 144 S C 1.374 175.953 174.600 -0.036 0.000 0.966 144 S CA 0.652 58.841 58.200 -0.018 0.000 0.914 144 S CB 0.470 63.704 63.200 0.055 0.000 0.776 144 S HN 0.654 nan 8.310 nan 0.000 0.523 145 G N 1.161 109.927 108.800 -0.058 0.000 2.141 145 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.231 145 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.231 145 G C -0.176 174.678 174.900 -0.077 0.000 0.984 145 G CA -0.299 44.773 45.100 -0.047 0.000 0.660 145 G HN 0.444 nan 8.290 nan 0.000 0.525 146 L N 0.041 121.178 121.223 -0.143 0.000 2.322 146 L HA 0.778 5.117 4.340 -0.000 0.000 0.281 146 L C 0.889 177.664 176.870 -0.159 0.000 1.014 146 L CA -0.023 54.718 54.840 -0.166 0.000 0.815 146 L CB 1.693 43.596 42.059 -0.259 0.000 1.247 146 L HN 0.941 nan 8.230 nan 0.000 0.421 147 G N 0.783 109.522 108.800 -0.101 0.000 2.293 147 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.282 147 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.282 147 G C -1.276 173.617 174.900 -0.012 0.000 1.299 147 G CA -0.869 44.196 45.100 -0.058 0.000 1.018 147 G HN 0.708 nan 8.290 nan 0.000 0.478 148 H N 1.841 120.885 119.070 -0.043 0.000 2.964 148 H HA 0.359 4.915 4.556 -0.000 0.000 0.328 148 H C -1.071 174.245 175.328 -0.021 0.000 1.030 148 H CA 0.169 56.201 56.048 -0.026 0.000 1.445 148 H CB 1.298 31.052 29.762 -0.013 0.000 1.449 148 H HN 0.146 nan 8.280 nan 0.000 0.581 149 P HA -0.203 nan 4.420 nan 0.000 0.216 149 P C 1.293 178.617 177.300 0.040 0.000 1.150 149 P CA 1.202 64.243 63.100 -0.100 0.000 0.843 149 P CB 0.301 31.891 31.700 -0.184 0.000 0.787 150 R N -0.920 119.730 120.500 0.250 0.000 2.241 150 R HA -0.008 4.332 4.340 -0.000 0.000 0.224 150 R C 2.064 178.423 176.300 0.099 0.000 1.101 150 R CA 0.966 57.180 56.100 0.190 0.000 0.995 150 R CB -1.038 29.412 30.300 0.250 0.000 0.870 150 R HN 0.349 nan 8.270 nan 0.000 0.463 151 L N -0.724 120.598 121.223 0.165 0.000 2.269 151 L HA -0.006 4.334 4.340 -0.000 0.000 0.200 151 L C 2.414 179.361 176.870 0.127 0.000 1.069 151 L CA 1.171 56.135 54.840 0.206 0.000 0.804 151 L CB -0.727 41.489 42.059 0.262 0.000 0.987 151 L HN 0.149 nan 8.230 nan 0.000 0.468 152 T N -1.678 112.922 114.554 0.076 0.000 2.833 152 T HA -0.208 4.142 4.350 -0.000 0.000 0.269 152 T C 1.536 176.216 174.700 -0.033 0.000 1.054 152 T CA 1.357 63.474 62.100 0.029 0.000 1.135 152 T CB -0.473 68.393 68.868 -0.004 0.000 0.869 152 T HN 0.556 nan 8.240 nan 0.000 0.466 153 E N 1.783 121.942 120.200 -0.069 0.000 2.204 153 E HA -0.101 4.249 4.350 -0.000 0.000 0.195 153 E C 2.051 178.552 176.600 -0.165 0.000 0.990 153 E CA 1.561 57.902 56.400 -0.098 0.000 0.821 153 E CB -0.516 29.131 29.700 -0.088 0.000 0.750 153 E HN 0.657 nan 8.360 nan 0.000 0.477 154 V N -3.815 115.909 119.914 -0.316 0.000 3.604 154 V HA 0.255 4.375 4.120 -0.000 0.000 0.277 154 V C 0.913 176.702 176.094 -0.509 0.000 1.399 154 V CA -0.277 61.733 62.300 -0.483 0.000 1.034 154 V CB -0.319 31.063 31.823 -0.735 0.000 0.824 154 V HN 0.086 nan 8.190 nan 0.000 0.439 155 F N 0.605 120.552 119.950 -0.005 0.000 2.728 155 F HA 0.496 5.023 4.527 -0.000 0.000 0.314 155 F C 1.256 177.044 175.800 -0.020 0.000 1.094 155 F CA -1.261 56.733 58.000 -0.010 0.000 1.217 155 F CB 0.011 39.007 39.000 -0.005 0.000 1.056 155 F HN -0.010 nan 8.300 nan 0.000 0.577 156 R N 1.418 121.983 120.500 0.108 0.000 2.502 156 R HA 0.311 4.651 4.340 -0.000 0.000 0.292 156 R C 0.487 176.818 176.300 0.052 0.000 0.998 156 R CA 0.952 57.085 56.100 0.055 0.000 1.056 156 R CB 0.397 30.705 30.300 0.014 0.000 0.939 156 R HN 0.233 nan 8.270 nan 0.000 0.411 157 A N 3.987 126.832 122.820 0.042 0.000 2.736 157 A HA 0.187 4.507 4.320 -0.000 0.000 0.222 157 A C -0.837 176.761 177.584 0.025 0.000 1.267 157 A CA -0.171 51.887 52.037 0.034 0.000 1.026 157 A CB 0.807 19.833 19.000 0.042 0.000 1.281 157 A HN 0.465 nan 8.150 nan 0.000 0.577 158 V N 0.286 120.215 119.914 0.025 0.000 2.971 158 V HA 0.478 4.598 4.120 -0.000 0.000 0.309 158 V C -1.884 174.231 176.094 0.035 0.000 1.130 158 V CA -0.698 61.621 62.300 0.032 0.000 0.964 158 V CB 2.016 33.865 31.823 0.042 0.000 1.029 158 V HN 0.313 nan 8.190 nan 0.000 0.427 159 D N 5.441 125.862 120.400 0.035 0.000 2.264 159 D HA 0.362 5.002 4.640 -0.000 0.000 0.250 159 D C -1.848 174.483 176.300 0.053 0.000 1.113 159 D CA -1.686 52.335 54.000 0.036 0.000 0.871 159 D CB 2.444 43.258 40.800 0.023 0.000 1.167 159 D HN 0.306 nan 8.370 nan 0.000 0.447 160 P HA -0.149 nan 4.420 nan 0.000 0.217 160 P C 0.756 178.094 177.300 0.063 0.000 1.148 160 P CA 1.433 64.582 63.100 0.082 0.000 0.834 160 P CB 0.255 32.015 31.700 0.100 0.000 0.783 161 K N -1.066 119.369 120.400 0.058 0.000 2.439 161 K HA -0.045 4.275 4.320 -0.000 0.000 0.197 161 K C 0.431 177.072 176.600 0.069 0.000 1.041 161 K CA 0.779 57.110 56.287 0.073 0.000 0.970 161 K CB -0.196 32.321 32.500 0.028 0.000 0.773 161 K HN 0.190 nan 8.250 nan 0.000 0.479 162 D N 0.687 121.122 120.400 0.057 0.000 2.427 162 D HA 0.061 4.701 4.640 -0.000 0.000 0.224 162 D C -0.545 175.825 176.300 0.118 0.000 1.157 162 D CA 0.169 54.202 54.000 0.055 0.000 0.828 162 D CB 0.653 41.474 40.800 0.035 0.000 0.974 162 D HN -0.161 nan 8.370 nan 0.000 0.498 163 V N 0.843 120.840 119.914 0.139 0.000 2.555 163 V HA 0.442 4.562 4.120 -0.000 0.000 0.302 163 V C -0.031 176.146 176.094 0.137 0.000 1.038 163 V CA -0.770 61.609 62.300 0.132 0.000 0.887 163 V CB 2.703 34.565 31.823 0.065 0.000 0.991 163 V HN -0.230 nan 8.190 nan 0.000 0.434 164 V N 5.896 125.911 119.914 0.167 0.000 2.577 164 V HA 0.493 4.613 4.120 -0.000 0.000 0.303 164 V C -0.465 175.744 176.094 0.190 0.000 1.042 164 V CA -0.496 61.897 62.300 0.156 0.000 0.872 164 V CB 1.900 33.860 31.823 0.228 0.000 0.998 164 V HN 0.642 nan 8.190 nan 0.000 0.423 165 L N 4.815 126.121 121.223 0.137 0.000 2.307 165 L HA 0.752 5.091 4.340 -0.000 0.000 0.282 165 L C -0.768 176.240 176.870 0.231 0.000 1.051 165 L CA -0.649 54.303 54.840 0.186 0.000 0.804 165 L CB 1.944 44.047 42.059 0.073 0.000 1.197 165 L HN 0.394 nan 8.230 nan 0.000 0.431 166 V N 1.541 121.591 119.914 0.226 0.000 2.623 166 V HA 0.595 4.714 4.120 -0.000 0.000 0.304 166 V C 0.533 176.706 176.094 0.131 0.000 1.054 166 V CA 0.071 62.482 62.300 0.185 0.000 0.882 166 V CB 1.452 33.345 31.823 0.117 0.000 1.002 166 V HN 0.963 nan 8.190 nan 0.000 0.424 167 G N 3.693 112.559 108.800 0.110 0.000 2.157 167 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.239 167 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.239 167 G C 0.111 175.044 174.900 0.056 0.000 0.982 167 G CA -0.020 45.121 45.100 0.068 0.000 0.650 167 G HN 0.823 nan 8.290 nan 0.000 0.527 168 V N 1.470 121.428 119.914 0.074 0.000 2.673 168 V HA 0.388 4.508 4.120 -0.000 0.000 0.303 168 V C 1.519 177.621 176.094 0.014 0.000 1.046 168 V CA 1.401 63.726 62.300 0.043 0.000 1.126 168 V CB 1.142 32.998 31.823 0.056 0.000 0.934 168 V HN 0.705 nan 8.190 nan 0.000 0.487 169 R N 1.751 122.231 120.500 -0.033 0.000 2.496 169 R HA 0.318 4.658 4.340 -0.000 0.000 0.369 169 R C 0.024 176.305 176.300 -0.032 0.000 0.896 169 R CA -0.096 55.990 56.100 -0.023 0.000 1.147 169 R CB 0.640 30.926 30.300 -0.024 0.000 1.697 169 R HN 0.526 nan 8.270 nan 0.000 0.518 170 S N 1.190 116.861 115.700 -0.047 0.000 2.720 170 S HA 0.592 5.061 4.470 -0.000 0.000 0.278 170 S C -1.354 173.303 174.600 0.095 0.000 1.172 170 S CA -0.582 57.628 58.200 0.017 0.000 1.019 170 S CB 0.934 64.139 63.200 0.008 0.000 1.049 170 S HN 0.273 nan 8.310 nan 0.000 0.483 171 L N 3.304 124.579 121.223 0.085 0.000 2.409 171 L HA 0.627 4.967 4.340 -0.000 0.000 0.262 171 L C -0.717 176.199 176.870 0.078 0.000 0.992 171 L CA -1.046 53.848 54.840 0.090 0.000 0.817 171 L CB 2.108 44.196 42.059 0.049 0.000 1.350 171 L HN 0.525 nan 8.230 nan 0.000 0.411 172 D N 1.699 122.147 120.400 0.080 0.000 2.312 172 D HA 0.217 4.857 4.640 -0.000 0.000 0.248 172 D C -1.729 174.598 176.300 0.044 0.000 1.086 172 D CA -1.397 52.639 54.000 0.060 0.000 0.948 172 D CB 1.801 42.636 40.800 0.059 0.000 1.162 172 D HN 0.207 nan 8.370 nan 0.000 0.446 173 P HA -0.114 nan 4.420 nan 0.000 0.215 173 P C 1.402 178.717 177.300 0.026 0.000 1.157 173 P CA 1.343 64.457 63.100 0.023 0.000 0.874 173 P CB 0.200 31.910 31.700 0.018 0.000 0.790 174 G N -0.323 108.495 108.800 0.030 0.000 2.422 174 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 174 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 174 G C 1.508 176.441 174.900 0.056 0.000 1.146 174 G CA 0.549 45.669 45.100 0.034 0.000 0.769 174 G HN 0.276 nan 8.290 nan 0.000 0.547 175 E N 0.394 120.636 120.200 0.070 0.000 2.051 175 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 175 E C 2.556 179.204 176.600 0.079 0.000 0.991 175 E CA 0.961 57.430 56.400 0.114 0.000 0.799 175 E CB -0.063 29.704 29.700 0.111 0.000 0.748 175 E HN 0.395 nan 8.360 nan 0.000 0.449 176 K N 0.468 120.888 120.400 0.034 0.000 2.032 176 K HA -0.175 4.145 4.320 -0.000 0.000 0.209 176 K C 2.255 178.852 176.600 -0.004 0.000 1.048 176 K CA 1.148 57.433 56.287 -0.003 0.000 0.927 176 K CB -0.177 32.319 32.500 -0.006 0.000 0.712 176 K HN 0.034 nan 8.250 nan 0.000 0.441 177 R N 0.861 121.372 120.500 0.018 0.000 2.080 177 R HA -0.096 4.244 4.340 -0.000 0.000 0.236 177 R C 2.479 178.804 176.300 0.040 0.000 1.137 177 R CA 1.392 57.504 56.100 0.019 0.000 0.943 177 R CB -0.531 29.782 30.300 0.022 0.000 0.846 177 R HN 0.173 nan 8.270 nan 0.000 0.431 178 L N 0.688 121.968 121.223 0.094 0.000 2.042 178 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 178 L C 2.493 179.467 176.870 0.174 0.000 1.076 178 L CA 1.265 56.217 54.840 0.188 0.000 0.749 178 L CB -0.520 41.719 42.059 0.300 0.000 0.893 178 L HN 0.227 nan 8.230 nan 0.000 0.432 179 L N -0.381 120.838 121.223 -0.006 0.000 2.017 179 L HA -0.240 4.100 4.340 -0.000 0.000 0.208 179 L C 2.737 179.499 176.870 -0.180 0.000 1.073 179 L CA 1.491 56.134 54.840 -0.328 0.000 0.745 179 L CB -0.466 41.368 42.059 -0.375 0.000 0.894 179 L HN 0.214 nan 8.230 nan 0.000 0.432 180 K N -0.181 120.161 120.400 -0.096 0.000 2.057 180 K HA -0.183 4.137 4.320 -0.000 0.000 0.206 180 K C 2.032 178.609 176.600 -0.039 0.000 1.050 180 K CA 1.366 57.610 56.287 -0.072 0.000 0.935 180 K CB -0.122 32.347 32.500 -0.052 0.000 0.715 180 K HN 0.342 nan 8.250 nan 0.000 0.439 181 E N 0.459 120.655 120.200 -0.007 0.000 2.058 181 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 181 E C 1.906 178.518 176.600 0.020 0.000 0.997 181 E CA 1.206 57.614 56.400 0.013 0.000 0.801 181 E CB -0.073 29.647 29.700 0.034 0.000 0.746 181 E HN 0.319 nan 8.360 nan 0.000 0.450 182 A N 0.031 122.874 122.820 0.038 0.000 2.119 182 A HA 0.098 4.418 4.320 -0.000 0.000 0.217 182 A C 1.782 179.365 177.584 -0.000 0.000 1.153 182 A CA 1.071 53.140 52.037 0.054 0.000 0.692 182 A CB -0.408 18.688 19.000 0.159 0.000 0.799 182 A HN 0.380 nan 8.150 nan 0.000 0.458 183 G N -1.222 107.551 108.800 -0.044 0.000 2.160 183 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.244 183 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.244 183 G C 0.110 174.965 174.900 -0.074 0.000 1.022 183 G CA 0.133 45.204 45.100 -0.049 0.000 0.741 183 G HN 0.780 nan 8.290 nan 0.000 0.508 184 V N 0.393 120.213 119.914 -0.157 0.000 2.637 184 V HA 0.391 4.511 4.120 -0.000 0.000 0.296 184 V C 1.199 177.165 176.094 -0.213 0.000 1.046 184 V CA -0.231 61.950 62.300 -0.197 0.000 1.066 184 V CB 1.304 32.883 31.823 -0.407 0.000 0.968 184 V HN 0.553 nan 8.190 nan 0.000 0.483 185 R N 4.449 124.826 120.500 -0.205 0.000 2.316 185 R HA 0.397 4.737 4.340 -0.000 0.000 0.314 185 R C -1.135 174.965 176.300 -0.333 0.000 1.069 185 R CA 0.125 56.015 56.100 -0.350 0.000 0.959 185 R CB 0.462 30.441 30.300 -0.535 0.000 0.987 185 R HN 0.476 nan 8.270 nan 0.000 0.446 186 V N 6.830 126.501 119.914 -0.405 0.000 2.444 186 V HA 0.334 4.454 4.120 -0.000 0.000 0.294 186 V C -1.105 174.761 176.094 -0.381 0.000 1.022 186 V CA -0.700 61.423 62.300 -0.295 0.000 0.850 186 V CB 1.363 33.065 31.823 -0.203 0.000 0.992 186 V HN 0.643 nan 8.190 nan 0.000 0.426 187 Y N 3.125 123.411 120.300 -0.023 0.000 2.593 187 Y HA 0.450 5.000 4.550 -0.000 0.000 0.331 187 Y C 1.165 177.075 175.900 0.016 0.000 0.986 187 Y CA -0.635 57.464 58.100 -0.002 0.000 1.262 187 Y CB 1.383 39.843 38.460 -0.001 0.000 1.098 187 Y HN 0.780 nan 8.280 nan 0.000 0.506 188 T N -1.235 113.396 114.554 0.128 0.000 2.788 188 T HA 0.107 4.457 4.350 -0.000 0.000 0.280 188 T C 1.465 176.238 174.700 0.122 0.000 0.984 188 T CA -0.816 61.345 62.100 0.102 0.000 0.972 188 T CB 0.733 69.646 68.868 0.075 0.000 1.039 188 T HN 0.456 nan 8.240 nan 0.000 0.530 189 M N 0.435 120.089 119.600 0.090 0.000 2.346 189 M HA -0.096 4.384 4.480 -0.000 0.000 0.263 189 M C 2.095 178.442 176.300 0.077 0.000 1.064 189 M CA 1.411 56.752 55.300 0.069 0.000 1.083 189 M CB -1.788 30.840 32.600 0.046 0.000 1.399 189 M HN 0.848 nan 8.290 nan 0.000 0.435 190 H N 0.554 119.641 119.070 0.029 0.000 2.321 190 H HA -0.151 4.404 4.556 -0.000 0.000 0.300 190 H C 1.410 176.761 175.328 0.039 0.000 1.087 190 H CA 2.050 58.113 56.048 0.026 0.000 1.319 190 H CB 0.269 30.041 29.762 0.017 0.000 1.379 190 H HN 0.277 nan 8.280 nan 0.000 0.501 191 E N 0.142 120.433 120.200 0.151 0.000 2.106 191 E HA -0.081 4.269 4.350 -0.000 0.000 0.192 191 E C 2.628 179.254 176.600 0.043 0.000 0.984 191 E CA 0.941 57.418 56.400 0.128 0.000 0.806 191 E CB -0.164 29.704 29.700 0.280 0.000 0.750 191 E HN 0.225 nan 8.360 nan 0.000 0.458 192 V N 1.640 121.581 119.914 0.044 0.000 2.287 192 V HA -0.281 3.838 4.120 -0.000 0.000 0.248 192 V C 1.591 177.663 176.094 -0.037 0.000 1.053 192 V CA 2.099 64.399 62.300 -0.000 0.000 1.027 192 V CB -0.465 31.364 31.823 0.010 0.000 0.646 192 V HN 0.256 nan 8.190 nan 0.000 0.447 193 D N -0.593 119.769 120.400 -0.062 0.000 2.117 193 D HA -0.150 4.489 4.640 -0.000 0.000 0.197 193 D C 2.359 178.592 176.300 -0.110 0.000 0.987 193 D CA 1.196 55.145 54.000 -0.085 0.000 0.829 193 D CB -0.215 40.522 40.800 -0.105 0.000 0.961 193 D HN 0.314 nan 8.370 nan 0.000 0.460 194 R N -0.052 120.346 120.500 -0.170 0.000 2.062 194 R HA 0.030 4.370 4.340 -0.000 0.000 0.229 194 R C 2.312 178.575 176.300 -0.062 0.000 1.128 194 R CA 0.705 56.718 56.100 -0.144 0.000 0.960 194 R CB 0.002 30.180 30.300 -0.203 0.000 0.855 194 R HN 0.183 nan 8.270 nan 0.000 0.432 195 L N -1.256 119.944 121.223 -0.038 0.000 2.357 195 L HA 0.280 4.619 4.340 -0.000 0.000 0.211 195 L C 0.759 177.608 176.870 -0.034 0.000 1.075 195 L CA 0.306 55.134 54.840 -0.021 0.000 0.830 195 L CB 0.192 42.252 42.059 0.002 0.000 0.996 195 L HN 0.382 nan 8.230 nan 0.000 0.467 196 G N -0.451 108.323 108.800 -0.042 0.000 2.719 196 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.686 196 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.686 196 G C 0.194 175.057 174.900 -0.062 0.000 1.201 196 G CA -0.452 44.622 45.100 -0.042 0.000 0.768 196 G HN -0.216 nan 8.290 nan 0.000 0.629 197 V N 1.957 121.838 119.914 -0.056 0.000 2.392 197 V HA -0.135 3.984 4.120 -0.000 0.000 0.249 197 V C 3.360 179.407 176.094 -0.079 0.000 1.059 197 V CA 3.422 65.678 62.300 -0.074 0.000 1.051 197 V CB -1.285 30.506 31.823 -0.052 0.000 0.658 197 V HN 1.763 nan 8.190 nan 0.000 0.455 198 A N 0.197 122.985 122.820 -0.054 0.000 1.859 198 A HA -0.324 3.996 4.320 -0.000 0.000 0.217 198 A C 2.413 179.961 177.584 -0.059 0.000 1.198 198 A CA 2.474 54.484 52.037 -0.045 0.000 0.629 198 A CB -0.648 18.335 19.000 -0.027 0.000 0.830 198 A HN 0.502 nan 8.150 nan 0.000 0.446 199 R N -0.425 120.038 120.500 -0.062 0.000 2.081 199 R HA -0.079 4.261 4.340 -0.000 0.000 0.235 199 R C 2.032 178.259 176.300 -0.123 0.000 1.131 199 R CA 1.734 57.795 56.100 -0.065 0.000 0.960 199 R CB -0.414 29.860 30.300 -0.044 0.000 0.856 199 R HN 0.575 nan 8.270 nan 0.000 0.436 200 I N 0.697 121.145 120.570 -0.204 0.000 2.226 200 I HA -0.262 3.907 4.170 -0.000 0.000 0.245 200 I C 2.549 178.468 176.117 -0.330 0.000 1.100 200 I CA 1.300 62.341 61.300 -0.433 0.000 1.374 200 I CB -0.417 37.271 38.000 -0.521 0.000 1.057 200 I HN 0.325 nan 8.210 nan 0.000 0.413 201 A N 0.492 123.201 122.820 -0.184 0.000 1.902 201 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 201 A C 2.227 179.771 177.584 -0.066 0.000 1.181 201 A CA 1.519 53.491 52.037 -0.107 0.000 0.623 201 A CB -0.434 18.526 19.000 -0.067 0.000 0.818 201 A HN 0.382 nan 8.150 nan 0.000 0.443 202 E N 0.091 120.257 120.200 -0.058 0.000 2.077 202 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 202 E C 1.861 178.460 176.600 -0.001 0.000 0.989 202 E CA 1.386 57.774 56.400 -0.021 0.000 0.800 202 E CB -0.411 29.279 29.700 -0.016 0.000 0.746 202 E HN 0.777 nan 8.360 nan 0.000 0.452 203 E N 0.542 120.728 120.200 -0.024 0.000 2.150 203 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 203 E C 2.238 178.896 176.600 0.097 0.000 0.985 203 E CA 0.645 57.070 56.400 0.041 0.000 0.814 203 E CB 0.112 29.842 29.700 0.050 0.000 0.752 203 E HN 0.008 nan 8.360 nan 0.000 0.466 204 V N 1.406 121.339 119.914 0.032 0.000 2.261 204 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 204 V C 2.283 178.456 176.094 0.131 0.000 1.047 204 V CA 1.500 63.866 62.300 0.109 0.000 1.015 204 V CB -0.379 31.471 31.823 0.044 0.000 0.642 204 V HN 0.286 nan 8.190 nan 0.000 0.446 205 L N -0.294 120.975 121.223 0.076 0.000 2.131 205 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 205 L C 2.539 179.456 176.870 0.078 0.000 1.092 205 L CA 1.581 56.462 54.840 0.070 0.000 0.759 205 L CB -0.533 41.552 42.059 0.042 0.000 0.903 205 L HN 0.295 nan 8.230 nan 0.000 0.435 206 K N -0.233 120.221 120.400 0.090 0.000 2.031 206 K HA -0.215 4.104 4.320 -0.000 0.000 0.205 206 K C 2.193 178.863 176.600 0.116 0.000 1.049 206 K CA 1.396 57.736 56.287 0.088 0.000 0.939 206 K CB -0.261 32.292 32.500 0.088 0.000 0.717 206 K HN 0.189 nan 8.250 nan 0.000 0.438 207 H N -0.303 118.805 119.070 0.063 0.000 2.422 207 H HA 0.036 4.592 4.556 -0.000 0.000 0.298 207 H C 0.532 175.894 175.328 0.056 0.000 1.098 207 H CA 1.848 57.936 56.048 0.066 0.000 1.315 207 H CB 0.141 29.960 29.762 0.095 0.000 1.382 207 H HN 0.159 nan 8.280 nan 0.000 0.523 208 L N 1.995 123.263 121.223 0.075 0.000 3.062 208 L HA 0.158 4.498 4.340 -0.000 0.000 0.255 208 L C 0.018 176.902 176.870 0.023 0.000 1.274 208 L CA -0.408 54.446 54.840 0.023 0.000 1.047 208 L CB 0.014 42.127 42.059 0.091 0.000 1.402 208 L HN 0.330 nan 8.230 nan 0.000 0.550 209 Q N 0.360 120.169 119.800 0.015 0.000 2.263 209 Q HA 0.247 4.587 4.340 -0.000 0.000 0.289 209 Q C 0.992 176.999 176.000 0.011 0.000 1.061 209 Q CA 0.715 56.529 55.803 0.019 0.000 0.927 209 Q CB 0.538 29.287 28.738 0.018 0.000 1.154 209 Q HN 0.365 nan 8.270 nan 0.000 0.378 210 G N 2.541 111.352 108.800 0.019 0.000 2.176 210 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.253 210 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.253 210 G C -0.109 174.803 174.900 0.020 0.000 0.979 210 G CA 0.136 45.246 45.100 0.017 0.000 0.641 210 G HN 0.549 nan 8.290 nan 0.000 0.530 211 L N 2.072 123.310 121.223 0.024 0.000 2.334 211 L HA 0.518 4.858 4.340 -0.000 0.000 0.275 211 L C -1.600 175.296 176.870 0.043 0.000 1.036 211 L CA -2.424 52.434 54.840 0.030 0.000 0.807 211 L CB 1.649 43.726 42.059 0.030 0.000 1.231 211 L HN -0.081 nan 8.230 nan 0.000 0.438 212 P HA 0.205 nan 4.420 nan 0.000 0.272 212 P C -1.227 176.111 177.300 0.065 0.000 1.230 212 P CA -0.178 62.952 63.100 0.050 0.000 0.788 212 P CB 0.952 32.676 31.700 0.040 0.000 0.949 213 L N 1.846 123.112 121.223 0.071 0.000 2.362 213 L HA 0.400 4.740 4.340 -0.000 0.000 0.275 213 L C 0.514 177.436 176.870 0.087 0.000 0.998 213 L CA -0.768 54.126 54.840 0.091 0.000 0.820 213 L CB 1.671 43.782 42.059 0.087 0.000 1.270 213 L HN 0.508 nan 8.230 nan 0.000 0.415 214 H N 3.474 122.567 119.070 0.039 0.000 2.504 214 H HA 0.458 5.013 4.556 -0.000 0.000 0.322 214 H C -1.509 173.853 175.328 0.057 0.000 1.055 214 H CA -0.462 55.597 56.048 0.018 0.000 1.231 214 H CB 1.819 31.599 29.762 0.029 0.000 1.417 214 H HN 0.282 nan 8.280 nan 0.000 0.472 215 V N 4.719 124.423 119.914 -0.351 0.000 2.370 215 V HA 0.137 4.256 4.120 -0.000 0.000 0.283 215 V C 0.381 176.322 176.094 -0.256 0.000 1.023 215 V CA -0.538 61.668 62.300 -0.156 0.000 0.857 215 V CB 1.359 33.128 31.823 -0.090 0.000 0.985 215 V HN 0.764 nan 8.190 nan 0.000 0.443 216 S N 5.444 121.100 115.700 -0.074 0.000 2.520 216 S HA 0.568 5.038 4.470 -0.000 0.000 0.324 216 S C -0.859 173.563 174.600 -0.297 0.000 1.069 216 S CA -0.496 57.595 58.200 -0.181 0.000 1.121 216 S CB 0.514 63.536 63.200 -0.297 0.000 0.971 216 S HN 0.574 nan 8.310 nan 0.000 0.463 217 L N 5.569 126.629 121.223 -0.273 0.000 2.262 217 L HA 0.562 4.902 4.340 -0.000 0.000 0.288 217 L C -0.467 176.212 176.870 -0.319 0.000 1.035 217 L CA -0.121 54.572 54.840 -0.245 0.000 0.820 217 L CB 1.169 43.122 42.059 -0.176 0.000 1.204 217 L HN 0.524 nan 8.230 nan 0.000 0.424 218 D N 3.778 124.000 120.400 -0.296 0.000 2.232 218 D HA 0.288 4.928 4.640 -0.000 0.000 0.242 218 D C 0.856 177.075 176.300 -0.135 0.000 1.093 218 D CA 0.254 54.088 54.000 -0.277 0.000 0.845 218 D CB 2.267 42.982 40.800 -0.141 0.000 1.124 218 D HN 0.729 nan 8.370 nan 0.000 0.467 219 A N 3.933 126.680 122.820 -0.122 0.000 2.024 219 A HA -0.230 4.090 4.320 -0.000 0.000 0.220 219 A C 1.464 179.030 177.584 -0.030 0.000 1.164 219 A CA 1.800 53.793 52.037 -0.072 0.000 0.643 219 A CB -0.337 18.626 19.000 -0.062 0.000 0.806 219 A HN 0.704 nan 8.150 nan 0.000 0.451 220 D N -0.561 119.838 120.400 -0.003 0.000 2.378 220 D HA -0.044 4.595 4.640 -0.000 0.000 0.227 220 D C 1.277 177.587 176.300 0.017 0.000 1.012 220 D CA 0.839 54.858 54.000 0.033 0.000 0.905 220 D CB -0.621 40.242 40.800 0.104 0.000 0.895 220 D HN 0.183 nan 8.370 nan 0.000 0.532 221 V N -0.084 119.831 119.914 0.001 0.000 2.667 221 V HA 0.033 4.153 4.120 -0.000 0.000 0.252 221 V C 1.028 177.117 176.094 -0.008 0.000 1.065 221 V CA 0.504 62.803 62.300 -0.003 0.000 1.083 221 V CB -0.287 31.532 31.823 -0.006 0.000 0.692 221 V HN 0.192 nan 8.190 nan 0.000 0.468 222 L N 1.019 122.236 121.223 -0.010 0.000 2.417 222 L HA 0.240 4.579 4.340 -0.000 0.000 0.268 222 L C 0.296 177.173 176.870 0.012 0.000 1.158 222 L CA -0.109 54.731 54.840 0.001 0.000 0.819 222 L CB 0.245 42.306 42.059 0.003 0.000 1.112 222 L HN 0.176 nan 8.230 nan 0.000 0.458 223 D N 2.529 122.942 120.400 0.021 0.000 2.488 223 D HA 0.007 4.646 4.640 -0.000 0.000 0.238 223 D C -1.635 174.679 176.300 0.022 0.000 1.138 223 D CA -0.828 53.184 54.000 0.021 0.000 0.873 223 D CB 1.111 41.926 40.800 0.026 0.000 1.183 223 D HN 0.227 nan 8.370 nan 0.000 0.458 224 P HA -0.168 nan 4.420 nan 0.000 0.217 224 P C 1.201 178.511 177.300 0.018 0.000 1.148 224 P CA 1.038 64.150 63.100 0.020 0.000 0.828 224 P CB 0.105 31.817 31.700 0.021 0.000 0.783 225 T N -1.873 112.692 114.554 0.018 0.000 2.962 225 T HA -0.095 4.254 4.350 -0.000 0.000 0.270 225 T C 1.441 176.150 174.700 0.016 0.000 1.088 225 T CA 0.806 62.914 62.100 0.014 0.000 1.127 225 T CB -0.453 68.422 68.868 0.013 0.000 0.883 225 T HN -0.095 nan 8.240 nan 0.000 0.493 226 L N -0.031 121.208 121.223 0.026 0.000 2.425 226 L HA 0.591 4.931 4.340 -0.000 0.000 0.215 226 L C 0.932 177.823 176.870 0.036 0.000 1.065 226 L CA 0.606 55.468 54.840 0.037 0.000 0.842 226 L CB 0.094 42.192 42.059 0.065 0.000 1.033 226 L HN 0.161 nan 8.230 nan 0.000 0.474 227 A N -0.035 122.802 122.820 0.028 0.000 2.893 227 A HA 0.547 4.867 4.320 -0.000 0.000 0.333 227 A C -2.065 175.528 177.584 0.015 0.000 1.152 227 A CA -0.797 51.253 52.037 0.021 0.000 0.782 227 A CB 0.083 19.093 19.000 0.016 0.000 1.108 227 A HN 0.127 nan 8.150 nan 0.000 0.469 228 P HA -0.038 nan 4.420 nan 0.000 0.222 228 P C 1.087 178.392 177.300 0.007 0.000 1.153 228 P CA 1.035 64.141 63.100 0.010 0.000 0.798 228 P CB 0.138 31.843 31.700 0.008 0.000 0.796 229 G N 1.473 110.275 108.800 0.003 0.000 3.090 229 G HA2 0.341 4.301 3.960 -0.000 0.000 0.259 229 G HA3 0.341 4.301 3.960 -0.000 0.000 0.259 229 G C 0.158 175.053 174.900 -0.007 0.000 0.797 229 G CA -0.055 45.044 45.100 -0.003 0.000 2.032 229 G HN 0.297 nan 8.290 nan 0.000 0.614 230 V N -2.109 117.805 119.914 -0.001 0.000 2.971 230 V HA 0.835 4.955 4.120 -0.000 0.000 0.309 230 V C 1.055 177.151 176.094 0.003 0.000 1.130 230 V CA -0.154 62.145 62.300 -0.002 0.000 0.964 230 V CB 1.423 33.254 31.823 0.014 0.000 1.029 230 V HN 0.244 nan 8.190 nan 0.000 0.427 231 G N 2.081 110.873 108.800 -0.014 0.000 2.418 231 G HA2 0.013 3.973 3.960 -0.000 0.000 0.217 231 G HA3 0.013 3.973 3.960 -0.000 0.000 0.217 231 G C 0.657 175.565 174.900 0.014 0.000 1.158 231 G CA 1.311 46.401 45.100 -0.018 0.000 0.771 231 G HN 0.935 nan 8.290 nan 0.000 0.545 232 T N 2.987 117.569 114.554 0.046 0.000 3.331 232 T HA 0.407 4.756 4.350 -0.000 0.000 0.381 232 T C -2.672 172.129 174.700 0.168 0.000 1.656 232 T CA -0.975 61.188 62.100 0.105 0.000 1.453 232 T CB 1.959 70.878 68.868 0.085 0.000 1.066 232 T HN 0.116 nan 8.240 nan 0.000 0.655 233 P HA 0.329 nan 4.420 nan 0.000 0.271 233 P C -0.817 176.530 177.300 0.078 0.000 1.216 233 P CA -0.272 62.875 63.100 0.078 0.000 0.776 233 P CB 1.172 32.901 31.700 0.048 0.000 0.881 234 V N 4.799 124.742 119.914 0.047 0.000 2.569 234 V HA 0.302 4.422 4.120 -0.000 0.000 0.301 234 V C -2.038 174.063 176.094 0.012 0.000 1.044 234 V CA -2.008 60.307 62.300 0.025 0.000 0.874 234 V CB 1.868 33.675 31.823 -0.026 0.000 1.002 234 V HN 0.560 nan 8.190 nan 0.000 0.424 235 P HA 0.203 nan 4.420 nan 0.000 0.270 235 P C 0.673 177.980 177.300 0.011 0.000 1.223 235 P CA 0.954 64.063 63.100 0.015 0.000 0.785 235 P CB 0.837 32.548 31.700 0.018 0.000 0.923 236 G N 0.059 108.867 108.800 0.013 0.000 2.248 236 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.263 236 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.263 236 G C 0.407 175.314 174.900 0.010 0.000 1.082 236 G CA -0.220 44.888 45.100 0.013 0.000 0.863 236 G HN 0.877 nan 8.290 nan 0.000 0.495 237 G N -1.275 107.530 108.800 0.010 0.000 2.568 237 G HA2 0.707 4.666 3.960 -0.000 0.000 0.293 237 G HA3 0.707 4.666 3.960 -0.000 0.000 0.293 237 G C 0.521 175.428 174.900 0.012 0.000 1.347 237 G CA -1.154 43.950 45.100 0.007 0.000 1.039 237 G HN 0.650 nan 8.290 nan 0.000 0.523 238 L N 0.584 121.812 121.223 0.008 0.000 2.461 238 L HA 0.247 4.586 4.340 -0.000 0.000 0.272 238 L C 1.483 178.368 176.870 0.025 0.000 1.197 238 L CA -0.472 54.373 54.840 0.008 0.000 0.836 238 L CB 0.732 42.784 42.059 -0.010 0.000 1.105 238 L HN 0.713 nan 8.230 nan 0.000 0.477 239 T N -1.682 112.895 114.554 0.038 0.000 2.788 239 T HA 0.062 4.412 4.350 -0.000 0.000 0.280 239 T C 0.859 175.628 174.700 0.115 0.000 0.984 239 T CA -0.319 61.829 62.100 0.080 0.000 0.972 239 T CB 0.678 69.595 68.868 0.082 0.000 1.039 239 T HN 0.525 nan 8.240 nan 0.000 0.530 240 Y N 1.368 121.691 120.300 0.038 0.000 2.097 240 Y HA -0.133 4.417 4.550 -0.000 0.000 0.282 240 Y C 2.809 178.799 175.900 0.149 0.000 1.152 240 Y CA 1.641 59.793 58.100 0.087 0.000 1.136 240 Y CB -0.232 38.284 38.460 0.094 0.000 0.975 240 Y HN 0.610 nan 8.280 nan 0.000 0.498 241 R N 0.202 120.845 120.500 0.239 0.000 2.073 241 R HA -0.173 4.167 4.340 -0.000 0.000 0.234 241 R C 2.247 178.571 176.300 0.039 0.000 1.134 241 R CA 1.933 58.109 56.100 0.126 0.000 0.952 241 R CB -0.369 30.015 30.300 0.140 0.000 0.850 241 R HN 0.494 nan 8.270 nan 0.000 0.433 242 E N 0.360 120.576 120.200 0.027 0.000 2.058 242 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 242 E C 2.074 178.644 176.600 -0.049 0.000 0.997 242 E CA 1.304 57.699 56.400 -0.008 0.000 0.801 242 E CB -0.155 29.542 29.700 -0.006 0.000 0.746 242 E HN 0.388 nan 8.360 nan 0.000 0.450 243 A N 1.274 124.038 122.820 -0.093 0.000 1.902 243 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 243 A C 1.913 179.347 177.584 -0.250 0.000 1.181 243 A CA 1.464 53.393 52.037 -0.180 0.000 0.623 243 A CB -0.693 18.163 19.000 -0.240 0.000 0.818 243 A HN 0.287 nan 8.150 nan 0.000 0.443 244 H N -1.240 117.701 119.070 -0.215 0.000 2.357 244 H HA -0.095 4.460 4.556 -0.000 0.000 0.301 244 H C 2.122 177.380 175.328 -0.117 0.000 1.082 244 H CA 1.791 57.717 56.048 -0.204 0.000 1.342 244 H CB -0.343 29.243 29.762 -0.295 0.000 1.389 244 H HN 0.436 nan 8.280 nan 0.000 0.511 245 L N 0.977 122.211 121.223 0.018 0.000 2.046 245 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 245 L C 2.407 179.265 176.870 -0.020 0.000 1.077 245 L CA 1.160 56.002 54.840 0.003 0.000 0.747 245 L CB -0.799 41.258 42.059 -0.002 0.000 0.896 245 L HN 0.113 nan 8.230 nan 0.000 0.432 246 L N -0.934 120.263 121.223 -0.043 0.000 2.012 246 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 246 L C 2.345 179.189 176.870 -0.043 0.000 1.073 246 L CA 1.966 56.777 54.840 -0.049 0.000 0.748 246 L CB -0.568 41.454 42.059 -0.062 0.000 0.891 246 L HN 0.270 nan 8.230 nan 0.000 0.431 247 M N -0.677 118.887 119.600 -0.060 0.000 2.117 247 M HA -0.196 4.284 4.480 -0.000 0.000 0.262 247 M C 2.179 178.468 176.300 -0.019 0.000 1.065 247 M CA 1.639 56.908 55.300 -0.052 0.000 1.114 247 M CB -1.258 31.289 32.600 -0.089 0.000 1.361 247 M HN 0.381 nan 8.290 nan 0.000 0.408 248 E N 0.279 120.476 120.200 -0.005 0.000 2.077 248 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 248 E C 2.085 178.686 176.600 0.003 0.000 0.989 248 E CA 1.063 57.467 56.400 0.008 0.000 0.800 248 E CB -0.148 29.562 29.700 0.017 0.000 0.746 248 E HN 0.474 nan 8.360 nan 0.000 0.452 249 I N 0.875 121.443 120.570 -0.003 0.000 2.353 249 I HA -0.238 3.932 4.170 -0.000 0.000 0.248 249 I C 2.273 178.392 176.117 0.003 0.000 1.119 249 I CA 0.810 62.108 61.300 -0.004 0.000 1.417 249 I CB -0.131 37.862 38.000 -0.013 0.000 1.078 249 I HN 0.112 nan 8.210 nan 0.000 0.421 250 L N 0.544 121.768 121.223 0.003 0.000 2.046 250 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 250 L C 2.875 179.759 176.870 0.024 0.000 1.077 250 L CA 1.307 56.157 54.840 0.016 0.000 0.747 250 L CB -0.718 41.349 42.059 0.015 0.000 0.896 250 L HN 0.236 nan 8.230 nan 0.000 0.432 251 A N -0.008 122.822 122.820 0.017 0.000 1.902 251 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 251 A C 2.121 179.719 177.584 0.023 0.000 1.181 251 A CA 1.615 53.665 52.037 0.021 0.000 0.623 251 A CB -0.453 18.553 19.000 0.010 0.000 0.818 251 A HN 0.455 nan 8.150 nan 0.000 0.443 252 E N 0.315 120.524 120.200 0.015 0.000 2.209 252 E HA -0.178 4.172 4.350 -0.000 0.000 0.196 252 E C 2.265 178.874 176.600 0.016 0.000 0.993 252 E CA 1.339 57.746 56.400 0.011 0.000 0.819 252 E CB -0.219 29.483 29.700 0.004 0.000 0.745 252 E HN 0.828 nan 8.360 nan 0.000 0.477 253 S N -0.369 115.345 115.700 0.023 0.000 2.399 253 S HA -0.073 4.397 4.470 -0.000 0.000 0.231 253 S C 1.881 176.502 174.600 0.035 0.000 1.022 253 S CA 0.954 59.172 58.200 0.028 0.000 0.983 253 S CB -0.264 62.957 63.200 0.035 0.000 0.803 253 S HN 0.415 nan 8.310 nan 0.000 0.480 254 G N 1.423 110.249 108.800 0.043 0.000 2.184 254 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.264 254 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.264 254 G C 0.886 175.828 174.900 0.071 0.000 0.975 254 G CA 0.467 45.599 45.100 0.054 0.000 0.642 254 G HN 0.575 nan 8.290 nan 0.000 0.536 255 R N -0.543 119.999 120.500 0.070 0.000 2.312 255 R HA 0.274 4.613 4.340 -0.000 0.000 0.205 255 R C 0.879 177.236 176.300 0.096 0.000 0.904 255 R CA 0.200 56.345 56.100 0.075 0.000 1.052 255 R CB 0.651 30.987 30.300 0.059 0.000 1.014 255 R HN 0.330 nan 8.270 nan 0.000 0.503 256 V N 2.913 122.902 119.914 0.124 0.000 2.529 256 V HA -0.077 4.043 4.120 -0.000 0.000 0.292 256 V C 1.198 177.444 176.094 0.254 0.000 1.028 256 V CA 0.571 62.971 62.300 0.168 0.000 1.074 256 V CB 1.165 33.105 31.823 0.193 0.000 0.958 256 V HN 0.402 nan 8.190 nan 0.000 0.481 257 Q N 3.468 123.297 119.800 0.048 0.000 2.245 257 Q HA 0.312 4.652 4.340 -0.000 0.000 0.236 257 Q C 0.302 175.753 176.000 -0.916 0.000 0.842 257 Q CA 0.201 55.898 55.803 -0.177 0.000 0.945 257 Q CB 0.985 29.673 28.738 -0.083 0.000 1.122 257 Q HN 0.729 nan 8.270 nan 0.000 0.506 258 S N -0.192 114.971 115.700 -0.895 0.000 2.567 258 S HA 0.701 5.171 4.470 -0.000 0.000 0.270 258 S C -1.644 172.569 174.600 -0.644 0.000 1.152 258 S CA -0.970 56.613 58.200 -1.028 0.000 0.835 258 S CB 1.842 64.817 63.200 -0.375 0.000 1.115 258 S HN 0.314 nan 8.310 nan 0.000 0.459 259 L N 0.731 121.704 121.223 -0.416 0.000 2.482 259 L HA 0.757 5.097 4.340 -0.000 0.000 0.263 259 L C -2.219 174.553 176.870 -0.165 0.000 0.957 259 L CA -0.192 54.492 54.840 -0.259 0.000 0.836 259 L CB 2.112 44.209 42.059 0.063 0.000 1.324 259 L HN 0.823 nan 8.230 nan 0.000 0.406 260 D N 5.209 125.503 120.400 -0.177 0.000 2.256 260 D HA 0.535 5.175 4.640 -0.000 0.000 0.246 260 D C -0.825 175.382 176.300 -0.156 0.000 1.042 260 D CA 0.100 54.039 54.000 -0.103 0.000 0.841 260 D CB 2.596 43.361 40.800 -0.058 0.000 1.223 260 D HN 0.502 nan 8.370 nan 0.000 0.470 261 L N 2.120 123.259 121.223 -0.140 0.000 2.366 261 L HA 0.360 4.700 4.340 -0.000 0.000 0.266 261 L C -0.026 176.740 176.870 -0.173 0.000 1.010 261 L CA -0.848 53.902 54.840 -0.151 0.000 0.879 261 L CB 1.282 43.280 42.059 -0.102 0.000 1.228 261 L HN 0.171 nan 8.230 nan 0.000 0.439 262 V N -1.057 118.700 119.914 -0.263 0.000 3.166 262 V HA 0.627 4.747 4.120 -0.000 0.000 0.317 262 V C 0.415 176.369 176.094 -0.233 0.000 1.136 262 V CA -0.577 61.557 62.300 -0.277 0.000 1.035 262 V CB 1.900 33.444 31.823 -0.465 0.000 1.110 262 V HN 0.733 nan 8.190 nan 0.000 0.450 263 E N -1.089 119.002 120.200 -0.182 0.000 2.971 263 E HA -0.159 4.191 4.350 -0.000 0.000 0.278 263 E C -0.017 176.530 176.600 -0.089 0.000 1.009 263 E CA 0.909 57.231 56.400 -0.130 0.000 0.862 263 E CB -1.670 27.956 29.700 -0.124 0.000 1.436 263 E HN 0.717 nan 8.360 nan 0.000 0.434 264 V N 1.917 121.783 119.914 -0.080 0.000 2.508 264 V HA 0.137 4.257 4.120 -0.000 0.000 0.281 264 V C 0.806 176.876 176.094 -0.040 0.000 1.041 264 V CA -0.038 62.231 62.300 -0.051 0.000 1.016 264 V CB 1.195 32.993 31.823 -0.042 0.000 0.984 264 V HN 0.139 nan 8.190 nan 0.000 0.478 265 N N 7.630 126.312 118.700 -0.030 0.000 2.696 265 N HA 0.334 5.074 4.740 -0.000 0.000 0.246 265 N C -1.513 173.989 175.510 -0.014 0.000 1.057 265 N CA -2.027 51.009 53.050 -0.024 0.000 0.867 265 N CB 2.222 40.693 38.487 -0.027 0.000 1.141 265 N HN 0.262 nan 8.380 nan 0.000 0.517 266 P HA -0.116 nan 4.420 nan 0.000 0.221 266 P C 1.435 178.729 177.300 -0.010 0.000 1.145 266 P CA 0.511 63.607 63.100 -0.007 0.000 0.795 266 P CB 0.675 32.375 31.700 -0.001 0.000 0.775 267 I N -0.752 119.812 120.570 -0.010 0.000 2.614 267 I HA -0.128 4.041 4.170 -0.000 0.000 0.258 267 I C 2.229 178.341 176.117 -0.008 0.000 1.189 267 I CA 1.315 62.609 61.300 -0.010 0.000 1.462 267 I CB -0.799 37.196 38.000 -0.009 0.000 1.092 267 I HN -0.099 nan 8.210 nan 0.000 0.442 268 L N -1.257 119.961 121.223 -0.007 0.000 2.693 268 L HA 0.185 4.525 4.340 -0.000 0.000 0.235 268 L C 0.590 177.458 176.870 -0.003 0.000 1.127 268 L CA -0.217 54.620 54.840 -0.004 0.000 0.914 268 L CB -0.029 42.029 42.059 -0.002 0.000 1.193 268 L HN 0.041 nan 8.230 nan 0.000 0.502 269 D N 1.205 121.602 120.400 -0.005 0.000 2.411 269 D HA 0.177 4.817 4.640 -0.000 0.000 0.251 269 D C -0.304 175.992 176.300 -0.006 0.000 1.201 269 D CA -0.021 53.977 54.000 -0.004 0.000 0.996 269 D CB 0.897 41.694 40.800 -0.004 0.000 1.101 269 D HN 0.056 nan 8.370 nan 0.000 0.504 270 E N 1.173 121.370 120.200 -0.005 0.000 2.220 270 E HA 0.311 4.661 4.350 -0.000 0.000 0.256 270 E C -0.347 176.247 176.600 -0.009 0.000 0.881 270 E CA -0.705 55.690 56.400 -0.008 0.000 0.766 270 E CB 1.536 31.232 29.700 -0.006 0.000 1.187 270 E HN 0.291 nan 8.360 nan 0.000 0.419 271 R N 2.131 122.622 120.500 -0.015 0.000 3.641 271 R HA -0.249 4.091 4.340 -0.000 0.000 0.286 271 R C 0.008 176.301 176.300 -0.011 0.000 1.153 271 R CA 0.748 56.837 56.100 -0.017 0.000 0.775 271 R CB -2.432 27.859 30.300 -0.015 0.000 1.215 271 R HN 0.943 nan 8.270 nan 0.000 0.474 272 N N -0.050 118.644 118.700 -0.009 0.000 2.708 272 N HA -0.252 4.487 4.740 -0.000 0.000 0.251 272 N C 1.282 176.799 175.510 0.013 0.000 1.123 272 N CA 1.825 54.877 53.050 0.002 0.000 0.739 272 N CB -0.363 38.127 38.487 0.004 0.000 1.113 272 N HN 0.775 nan 8.380 nan 0.000 0.561 273 R N -2.372 118.134 120.500 0.010 0.000 2.120 273 R HA -0.039 4.301 4.340 -0.000 0.000 0.234 273 R C 1.426 177.744 176.300 0.030 0.000 1.123 273 R CA 1.760 57.872 56.100 0.020 0.000 0.975 273 R CB -0.721 29.586 30.300 0.012 0.000 0.866 273 R HN 0.193 nan 8.270 nan 0.000 0.446 274 T N 1.211 115.777 114.554 0.019 0.000 2.777 274 T HA -0.012 4.338 4.350 -0.000 0.000 0.266 274 T C 2.093 176.799 174.700 0.011 0.000 1.040 274 T CA 1.432 63.541 62.100 0.015 0.000 1.141 274 T CB -0.202 68.668 68.868 0.003 0.000 0.868 274 T HN 0.501 nan 8.240 nan 0.000 0.444 275 A N 1.743 124.570 122.820 0.012 0.000 1.898 275 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 275 A C 2.185 179.782 177.584 0.022 0.000 1.181 275 A CA 1.525 53.569 52.037 0.012 0.000 0.620 275 A CB -0.514 18.501 19.000 0.025 0.000 0.819 275 A HN 0.574 nan 8.150 nan 0.000 0.442 276 E N -0.665 119.557 120.200 0.037 0.000 2.110 276 E HA -0.178 4.171 4.350 -0.000 0.000 0.193 276 E C 2.079 178.722 176.600 0.072 0.000 0.988 276 E CA 1.217 57.649 56.400 0.052 0.000 0.804 276 E CB -0.267 29.466 29.700 0.055 0.000 0.745 276 E HN 0.485 nan 8.360 nan 0.000 0.458 277 M N 0.245 119.891 119.600 0.076 0.000 2.065 277 M HA -0.176 4.303 4.480 -0.000 0.000 0.259 277 M C 2.378 178.686 176.300 0.014 0.000 1.069 277 M CA 1.288 56.647 55.300 0.098 0.000 1.110 277 M CB -0.711 31.939 32.600 0.082 0.000 1.328 277 M HN 0.163 nan 8.290 nan 0.000 0.405 278 L N -0.485 120.727 121.223 -0.019 0.000 2.131 278 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 278 L C 2.468 179.306 176.870 -0.052 0.000 1.092 278 L CA 1.070 55.873 54.840 -0.061 0.000 0.759 278 L CB -0.926 41.094 42.059 -0.065 0.000 0.903 278 L HN 0.048 nan 8.230 nan 0.000 0.435 279 V N -0.574 119.331 119.914 -0.016 0.000 2.358 279 V HA -0.200 3.919 4.120 -0.000 0.000 0.246 279 V C 2.514 178.612 176.094 0.005 0.000 1.047 279 V CA 1.839 64.133 62.300 -0.011 0.000 1.035 279 V CB -1.287 30.541 31.823 0.009 0.000 0.658 279 V HN 0.569 nan 8.190 nan 0.000 0.452 280 G N -0.352 108.478 108.800 0.049 0.000 2.422 280 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.218 280 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.218 280 G C 1.579 176.532 174.900 0.087 0.000 1.146 280 G CA 0.794 45.970 45.100 0.126 0.000 0.769 280 G HN 0.467 nan 8.290 nan 0.000 0.547 281 L N 0.593 121.752 121.223 -0.105 0.000 2.093 281 L HA -0.030 4.309 4.340 -0.000 0.000 0.208 281 L C 3.375 180.168 176.870 -0.129 0.000 1.085 281 L CA 0.867 55.551 54.840 -0.259 0.000 0.755 281 L CB -0.347 41.516 42.059 -0.328 0.000 0.904 281 L HN 0.309 nan 8.230 nan 0.000 0.435 282 A N 0.274 123.038 122.820 -0.094 0.000 1.902 282 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 282 A C 2.242 179.767 177.584 -0.099 0.000 1.181 282 A CA 1.280 53.259 52.037 -0.097 0.000 0.623 282 A CB -0.603 18.342 19.000 -0.092 0.000 0.818 282 A HN 0.351 nan 8.150 nan 0.000 0.443 283 L N -0.543 120.650 121.223 -0.050 0.000 2.046 283 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 283 L C 2.848 179.716 176.870 -0.004 0.000 1.077 283 L CA 1.532 56.358 54.840 -0.023 0.000 0.747 283 L CB -0.622 41.450 42.059 0.021 0.000 0.896 283 L HN 0.314 nan 8.230 nan 0.000 0.432 284 S N 0.186 115.901 115.700 0.025 0.000 2.368 284 S HA -0.175 4.295 4.470 -0.000 0.000 0.225 284 S C 1.865 176.460 174.600 -0.007 0.000 1.030 284 S CA 1.243 59.467 58.200 0.041 0.000 0.999 284 S CB -0.355 62.916 63.200 0.118 0.000 0.844 284 S HN 0.249 nan 8.310 nan 0.000 0.459 285 L N 0.851 122.046 121.223 -0.046 0.000 2.191 285 L HA 0.081 4.421 4.340 -0.000 0.000 0.212 285 L C 1.147 177.964 176.870 -0.088 0.000 1.103 285 L CA 1.472 56.278 54.840 -0.057 0.000 0.769 285 L CB -0.331 41.690 42.059 -0.065 0.000 0.908 285 L HN 0.188 nan 8.230 nan 0.000 0.438 286 L N -0.255 120.889 121.223 -0.132 0.000 2.685 286 L HA 0.403 4.743 4.340 -0.000 0.000 0.233 286 L C 1.459 178.356 176.870 0.045 0.000 1.173 286 L CA 0.768 55.510 54.840 -0.164 0.000 0.961 286 L CB -0.180 41.639 42.059 -0.400 0.000 1.217 286 L HN 0.376 nan 8.230 nan 0.000 0.478 287 G N -1.279 107.537 108.800 0.026 0.000 2.238 287 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.217 287 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.217 287 G C 0.626 175.547 174.900 0.035 0.000 0.996 287 G CA -0.107 45.017 45.100 0.041 0.000 0.632 287 G HN 0.283 nan 8.290 nan 0.000 0.503 288 K N 1.164 121.589 120.400 0.041 0.000 2.447 288 K HA 0.452 4.772 4.320 -0.000 0.000 0.281 288 K C 0.377 176.995 176.600 0.030 0.000 1.031 288 K CA 0.293 56.601 56.287 0.035 0.000 1.019 288 K CB 0.154 32.676 32.500 0.037 0.000 0.918 288 K HN 0.417 nan 8.250 nan 0.000 0.476 289 R N 3.514 124.033 120.500 0.031 0.000 2.771 289 R HA 0.295 4.634 4.340 -0.000 0.000 0.274 289 R C 0.944 177.276 176.300 0.052 0.000 0.987 289 R CA -0.708 55.416 56.100 0.040 0.000 0.908 289 R CB 1.009 31.337 30.300 0.047 0.000 1.213 289 R HN 0.565 nan 8.270 nan 0.000 0.468 290 I N 0.487 121.092 120.570 0.058 0.000 2.202 290 I HA -0.093 4.077 4.170 -0.000 0.000 0.242 290 I C 0.866 177.052 176.117 0.115 0.000 1.091 290 I CA 1.571 62.902 61.300 0.052 0.000 1.368 290 I CB 0.168 38.190 38.000 0.037 0.000 1.058 290 I HN 0.336 nan 8.210 nan 0.000 0.410 291 F N 0.000 119.941 119.950 -0.014 0.000 2.286 291 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 291 F CA 0.000 57.992 58.000 -0.012 0.000 1.383 291 F CB 0.000 38.994 39.000 -0.011 0.000 1.145 291 F HN 0.000 nan 8.300 nan 0.000 0.574