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 2jg1_1_C DATA FIRST_RESID -4 DATA SEQUENCE PRGSHXILTL TLNPSVDISY PLTALKLDDV NRVQEVSKTA GGKGLNVTRV DATA SEQUENCE LAQVGEPVLA SGFIGGELGQ FIAKKLDHAD IKHAFYNIKG ETRNCIAILH DATA SEQUENCE EGQQTEILEQ GPEIDNQEAA GFIKHFEQXX EKVEAVAISG SLPKGLNQDY DATA SEQUENCE YAQIIERCQN KGVPVILDCS GATLQTVLEN PYKPTVIKPN ISELYQLLNQ DATA SEQUENCE PLDESLESLK QAVSQPLFEG IEWIIVSLGA QGAFAKHNHT FYRVNIPTIS DATA SEQUENCE VLNPVGSGDS TVAGITSAIL NHENDHDLLK KANTLGXLNA QEAQTGYVNL DATA SEQUENCE NNYDDLFNQI EVLEV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -4 P HA 0.000 nan 4.420 nan 0.000 0.216 -4 P C 0.000 177.282 177.300 -0.031 0.000 1.155 -4 P CA 0.000 63.078 63.100 -0.037 0.000 0.800 -4 P CB 0.000 31.680 31.700 -0.033 0.000 0.726 -3 R N 0.514 120.997 120.500 -0.027 0.000 2.502 -3 R HA 0.363 4.703 4.340 -0.000 0.000 0.292 -3 R C 1.175 177.465 176.300 -0.017 0.000 0.998 -3 R CA 2.002 58.088 56.100 -0.023 0.000 1.056 -3 R CB -0.433 29.854 30.300 -0.021 0.000 0.939 -3 R HN 0.894 nan 8.270 nan 0.000 0.411 -2 G N 2.417 111.210 108.800 -0.012 0.000 2.141 -2 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.242 -2 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.242 -2 G C -0.059 174.847 174.900 0.011 0.000 0.982 -2 G CA 0.298 45.396 45.100 -0.003 0.000 0.662 -2 G HN 0.726 nan 8.290 nan 0.000 0.527 -1 S N -0.664 115.041 115.700 0.009 0.000 2.603 -1 S HA 0.691 5.161 4.470 -0.000 0.000 0.268 -1 S C -0.093 174.552 174.600 0.075 0.000 1.317 -1 S CA 0.257 58.475 58.200 0.029 0.000 1.012 -1 S CB 2.096 65.294 63.200 -0.003 0.000 0.926 -1 S HN 1.275 nan 8.310 nan 0.000 0.539 3 L N 5.502 126.693 121.223 -0.053 0.000 2.272 3 L HA 0.585 4.925 4.340 -0.000 0.000 0.289 3 L C 0.030 176.913 176.870 0.021 0.000 1.032 3 L CA -0.169 54.658 54.840 -0.021 0.000 0.810 3 L CB 1.610 43.656 42.059 -0.021 0.000 1.205 3 L HN 0.785 nan 8.230 nan 0.000 0.422 4 T N 3.310 117.884 114.554 0.034 0.000 2.837 4 T HA 0.548 4.898 4.350 -0.000 0.000 0.285 4 T C -0.329 174.443 174.700 0.120 0.000 0.984 4 T CA -0.734 61.404 62.100 0.063 0.000 1.049 4 T CB 1.291 70.193 68.868 0.056 0.000 0.947 4 T HN 0.446 nan 8.240 nan 0.000 0.472 5 L N 3.329 124.629 121.223 0.128 0.000 2.305 5 L HA 0.481 4.821 4.340 -0.000 0.000 0.284 5 L C -0.133 176.827 176.870 0.151 0.000 1.013 5 L CA -0.801 54.144 54.840 0.174 0.000 0.819 5 L CB 1.952 44.115 42.059 0.173 0.000 1.227 5 L HN 0.834 nan 8.230 nan 0.000 0.417 6 T N 4.131 118.797 114.554 0.187 0.000 3.064 6 T HA 0.323 4.673 4.350 -0.000 0.000 0.367 6 T C 1.229 176.014 174.700 0.142 0.000 1.202 6 T CA -0.448 61.753 62.100 0.169 0.000 1.133 6 T CB 0.829 69.807 68.868 0.184 0.000 1.074 6 T HN 0.427 nan 8.240 nan 0.000 0.519 7 L N 1.258 122.561 121.223 0.133 0.000 2.291 7 L HA 0.152 4.492 4.340 -0.000 0.000 0.214 7 L C 1.276 178.239 176.870 0.154 0.000 1.120 7 L CA 0.716 55.623 54.840 0.112 0.000 0.799 7 L CB 0.013 42.145 42.059 0.121 0.000 0.925 7 L HN 0.401 nan 8.230 nan 0.000 0.446 8 N N -0.001 118.759 118.700 0.101 0.000 2.757 8 N HA 0.209 4.949 4.740 -0.000 0.000 0.296 8 N C -2.524 173.012 175.510 0.042 0.000 1.874 8 N CA -1.869 51.212 53.050 0.051 0.000 0.885 8 N CB 0.729 39.230 38.487 0.024 0.000 1.242 8 N HN -0.056 nan 8.380 nan 0.000 0.488 9 P HA 0.139 nan 4.420 nan 0.000 0.272 9 P C -0.512 176.784 177.300 -0.007 0.000 1.240 9 P CA -0.123 62.984 63.100 0.013 0.000 0.791 9 P CB 1.127 32.799 31.700 -0.048 0.000 0.978 10 S N 0.010 115.712 115.700 0.003 0.000 2.536 10 S HA 0.332 4.802 4.470 -0.000 0.000 0.271 10 S C -1.127 173.472 174.600 -0.001 0.000 1.134 10 S CA -0.725 57.470 58.200 -0.008 0.000 0.897 10 S CB 0.891 64.090 63.200 -0.002 0.000 1.094 10 S HN 0.107 nan 8.310 nan 0.000 0.473 11 V N 4.883 124.772 119.914 -0.040 0.000 2.387 11 V HA 0.289 4.408 4.120 -0.000 0.000 0.260 11 V C -0.304 175.731 176.094 -0.098 0.000 1.054 11 V CA -0.304 61.947 62.300 -0.082 0.000 0.967 11 V CB 0.397 32.060 31.823 -0.266 0.000 1.036 11 V HN 0.762 nan 8.190 nan 0.000 0.481 12 D N 5.068 125.438 120.400 -0.051 0.000 2.256 12 D HA 0.503 5.143 4.640 -0.000 0.000 0.250 12 D C -0.134 176.095 176.300 -0.118 0.000 1.093 12 D CA 0.039 54.003 54.000 -0.060 0.000 0.882 12 D CB 1.991 42.781 40.800 -0.016 0.000 1.185 12 D HN 0.351 nan 8.370 nan 0.000 0.437 13 I N 0.996 121.459 120.570 -0.178 0.000 2.406 13 I HA 0.146 4.316 4.170 -0.000 0.000 0.290 13 I C 0.189 176.063 176.117 -0.406 0.000 0.999 13 I CA -0.673 60.425 61.300 -0.338 0.000 1.124 13 I CB 1.869 39.594 38.000 -0.458 0.000 1.289 13 I HN 0.087 nan 8.210 nan 0.000 0.441 14 S N 5.975 121.448 115.700 -0.379 0.000 2.429 14 S HA 0.499 4.969 4.470 -0.000 0.000 0.302 14 S C -1.031 173.368 174.600 -0.335 0.000 1.115 14 S CA -0.268 57.778 58.200 -0.258 0.000 1.095 14 S CB 0.207 63.343 63.200 -0.106 0.000 0.987 14 S HN 0.403 nan 8.310 nan 0.000 0.474 15 Y N 5.783 126.091 120.300 0.013 0.000 2.712 15 Y HA 0.341 4.891 4.550 -0.000 0.000 0.328 15 Y C -2.114 173.801 175.900 0.026 0.000 0.995 15 Y CA -2.367 55.739 58.100 0.009 0.000 1.283 15 Y CB 1.256 39.712 38.460 -0.006 0.000 1.092 15 Y HN 0.532 nan 8.280 nan 0.000 0.519 16 P HA 0.185 nan 4.420 nan 0.000 0.282 16 P C -0.702 176.665 177.300 0.113 0.000 1.262 16 P CA 0.221 63.393 63.100 0.120 0.000 0.773 16 P CB 1.362 33.109 31.700 0.079 0.000 0.879 17 L N 2.412 123.702 121.223 0.112 0.000 2.354 17 L HA 0.375 4.715 4.340 -0.000 0.000 0.269 17 L C 1.662 178.583 176.870 0.084 0.000 1.005 17 L CA -0.637 54.252 54.840 0.081 0.000 0.819 17 L CB 1.689 43.780 42.059 0.054 0.000 1.311 17 L HN 0.177 nan 8.230 nan 0.000 0.423 18 T N 0.781 115.369 114.554 0.057 0.000 2.746 18 T HA 0.046 4.396 4.350 -0.000 0.000 0.267 18 T C 0.418 175.158 174.700 0.067 0.000 1.039 18 T CA 1.421 63.553 62.100 0.052 0.000 1.142 18 T CB 0.038 68.926 68.868 0.034 0.000 0.866 18 T HN 0.672 nan 8.240 nan 0.000 0.444 19 A N 0.191 123.050 122.820 0.065 0.000 2.589 19 A HA 0.657 4.977 4.320 -0.000 0.000 0.296 19 A C -1.766 175.839 177.584 0.035 0.000 1.062 19 A CA -0.877 51.210 52.037 0.083 0.000 0.686 19 A CB 1.070 20.104 19.000 0.056 0.000 1.282 19 A HN 0.215 nan 8.150 nan 0.000 0.404 20 L N 1.468 122.698 121.223 0.010 0.000 2.261 20 L HA 0.481 4.821 4.340 -0.000 0.000 0.289 20 L C -0.153 176.672 176.870 -0.075 0.000 1.059 20 L CA 0.117 54.871 54.840 -0.142 0.000 0.816 20 L CB 0.289 42.052 42.059 -0.492 0.000 1.191 20 L HN 0.555 nan 8.230 nan 0.000 0.431 21 K N 6.533 126.893 120.400 -0.066 0.000 2.284 21 K HA 0.363 4.683 4.320 -0.000 0.000 0.287 21 K C -0.719 175.848 176.600 -0.055 0.000 1.081 21 K CA -0.227 56.033 56.287 -0.044 0.000 0.910 21 K CB 0.522 33.000 32.500 -0.036 0.000 1.088 21 K HN 0.595 nan 8.250 nan 0.000 0.478 22 L N 2.470 123.668 121.223 -0.041 0.000 2.439 22 L HA 0.042 4.382 4.340 -0.000 0.000 0.269 22 L C 0.679 177.528 176.870 -0.034 0.000 1.179 22 L CA -0.003 54.813 54.840 -0.041 0.000 0.828 22 L CB 0.235 42.279 42.059 -0.025 0.000 1.106 22 L HN 0.765 nan 8.230 nan 0.000 0.467 23 D N 0.469 120.848 120.400 -0.036 0.000 2.837 23 D HA -0.203 4.437 4.640 -0.000 0.000 0.230 23 D C -0.577 175.703 176.300 -0.033 0.000 1.152 23 D CA 1.093 55.074 54.000 -0.031 0.000 0.736 23 D CB -0.419 40.368 40.800 -0.022 0.000 1.084 23 D HN 0.704 nan 8.370 nan 0.000 0.429 24 D N -2.049 118.326 120.400 -0.042 0.000 2.643 24 D HA 0.430 5.069 4.640 -0.000 0.000 0.283 24 D C -0.838 175.429 176.300 -0.055 0.000 1.242 24 D CA -0.501 53.474 54.000 -0.042 0.000 0.863 24 D CB 1.726 42.505 40.800 -0.036 0.000 1.382 24 D HN -0.131 nan 8.370 nan 0.000 0.444 25 V N 2.356 122.239 119.914 -0.052 0.000 2.498 25 V HA 0.386 4.506 4.120 -0.000 0.000 0.279 25 V C 0.035 176.088 176.094 -0.069 0.000 1.048 25 V CA -0.394 61.869 62.300 -0.062 0.000 0.967 25 V CB 0.956 32.749 31.823 -0.050 0.000 0.988 25 V HN 0.370 nan 8.190 nan 0.000 0.473 26 N N 4.973 123.617 118.700 -0.093 0.000 2.399 26 N HA 0.433 5.173 4.740 -0.000 0.000 0.280 26 N C -0.726 174.722 175.510 -0.104 0.000 1.008 26 N CA -0.681 52.311 53.050 -0.098 0.000 0.894 26 N CB 2.299 40.709 38.487 -0.129 0.000 1.273 26 N HN 0.541 nan 8.380 nan 0.000 0.486 27 R N 0.843 121.302 120.500 -0.068 0.000 2.349 27 R HA 0.512 4.852 4.340 -0.000 0.000 0.299 27 R C -0.021 176.256 176.300 -0.038 0.000 1.027 27 R CA -0.712 55.355 56.100 -0.054 0.000 0.958 27 R CB 1.401 31.682 30.300 -0.032 0.000 1.047 27 R HN 0.355 nan 8.270 nan 0.000 0.468 28 V N 0.006 119.905 119.914 -0.026 0.000 2.914 28 V HA 0.438 4.558 4.120 -0.000 0.000 0.314 28 V C -0.345 175.773 176.094 0.040 0.000 1.084 28 V CA -0.924 61.391 62.300 0.025 0.000 0.963 28 V CB 2.097 33.970 31.823 0.084 0.000 1.025 28 V HN 0.648 nan 8.190 nan 0.000 0.432 29 Q N 1.196 121.024 119.800 0.048 0.000 3.050 29 Q HA 0.406 4.746 4.340 -0.000 0.000 0.256 29 Q C -0.270 175.758 176.000 0.046 0.000 1.161 29 Q CA 0.043 55.869 55.803 0.037 0.000 0.329 29 Q CB -0.044 28.709 28.738 0.026 0.000 5.721 29 Q HN 0.911 nan 8.270 nan 0.000 0.326 30 E N 0.228 120.449 120.200 0.035 0.000 2.290 30 E HA 0.299 4.649 4.350 -0.000 0.000 0.277 30 E C -1.281 175.338 176.600 0.032 0.000 1.035 30 E CA -0.069 56.348 56.400 0.028 0.000 0.873 30 E CB 0.962 30.671 29.700 0.015 0.000 1.029 30 E HN 0.012 nan 8.360 nan 0.000 0.419 31 V N 2.457 122.387 119.914 0.026 0.000 2.715 31 V HA 0.309 4.429 4.120 -0.000 0.000 0.310 31 V C -0.204 175.867 176.094 -0.038 0.000 1.054 31 V CA -0.820 61.481 62.300 0.002 0.000 0.928 31 V CB 2.193 34.033 31.823 0.028 0.000 1.007 31 V HN 0.626 nan 8.190 nan 0.000 0.437 32 S N 4.372 120.029 115.700 -0.072 0.000 2.430 32 S HA 0.454 4.924 4.470 -0.000 0.000 0.289 32 S C -0.440 174.111 174.600 -0.083 0.000 1.143 32 S CA -0.574 57.589 58.200 -0.061 0.000 1.067 32 S CB -0.186 62.982 63.200 -0.054 0.000 0.964 32 S HN 0.648 nan 8.310 nan 0.000 0.485 33 K N 3.523 123.914 120.400 -0.014 0.000 2.323 33 K HA 0.474 4.793 4.320 -0.000 0.000 0.259 33 K C -0.551 176.157 176.600 0.180 0.000 0.947 33 K CA -0.756 55.533 56.287 0.003 0.000 0.819 33 K CB 1.840 34.289 32.500 -0.084 0.000 1.109 33 K HN 0.690 nan 8.250 nan 0.000 0.429 34 T N -1.889 112.754 114.554 0.148 0.000 2.907 34 T HA 0.565 4.915 4.350 -0.000 0.000 0.292 34 T C -0.224 174.615 174.700 0.231 0.000 1.043 34 T CA -1.083 61.129 62.100 0.186 0.000 1.003 34 T CB 1.772 70.696 68.868 0.094 0.000 1.084 34 T HN 0.499 nan 8.240 nan 0.000 0.483 35 A N 1.322 124.268 122.820 0.210 0.000 2.444 35 A HA 0.655 4.975 4.320 -0.000 0.000 0.287 35 A C 0.827 178.486 177.584 0.125 0.000 1.195 35 A CA 0.206 52.346 52.037 0.172 0.000 0.858 35 A CB -0.971 18.107 19.000 0.130 0.000 1.117 35 A HN 1.307 nan 8.150 nan 0.000 0.521 36 G N 0.803 109.662 108.800 0.099 0.000 3.247 36 G HA2 0.811 4.771 3.960 -0.000 0.000 0.199 36 G HA3 0.811 4.771 3.960 -0.000 0.000 0.199 36 G C 0.299 175.238 174.900 0.064 0.000 1.172 36 G CA -0.133 45.013 45.100 0.076 0.000 0.844 36 G HN 2.189 nan 8.290 nan 0.000 0.619 37 G N -1.076 107.755 108.800 0.052 0.000 2.733 37 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.686 37 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.686 37 G C 0.570 175.511 174.900 0.068 0.000 1.373 37 G CA 0.397 45.530 45.100 0.056 0.000 0.838 37 G HN 0.695 nan 8.290 nan 0.000 0.588 38 K N 0.787 121.229 120.400 0.069 0.000 2.057 38 K HA -0.071 4.249 4.320 -0.000 0.000 0.207 38 K C 2.784 179.425 176.600 0.069 0.000 1.049 38 K CA 1.599 57.925 56.287 0.065 0.000 0.931 38 K CB -0.230 32.307 32.500 0.062 0.000 0.714 38 K HN 0.762 nan 8.250 nan 0.000 0.440 39 G N 1.032 109.882 108.800 0.083 0.000 2.509 39 G HA2 -0.148 3.811 3.960 -0.000 0.000 0.218 39 G HA3 -0.148 3.811 3.960 -0.000 0.000 0.218 39 G C 1.394 176.354 174.900 0.100 0.000 1.124 39 G CA 0.249 45.401 45.100 0.086 0.000 0.776 39 G HN 0.090 nan 8.290 nan 0.000 0.547 40 L N 0.098 121.389 121.223 0.113 0.000 2.270 40 L HA 0.068 4.408 4.340 -0.000 0.000 0.210 40 L C 2.397 179.326 176.870 0.099 0.000 1.104 40 L CA 0.152 55.067 54.840 0.125 0.000 0.804 40 L CB -0.229 41.917 42.059 0.146 0.000 0.937 40 L HN 0.089 nan 8.230 nan 0.000 0.450 41 N N 0.067 118.817 118.700 0.084 0.000 2.120 41 N HA -0.137 4.603 4.740 -0.000 0.000 0.188 41 N C 1.915 177.461 175.510 0.060 0.000 1.024 41 N CA 1.147 54.242 53.050 0.074 0.000 0.852 41 N CB -0.370 38.157 38.487 0.065 0.000 1.003 41 N HN 0.082 nan 8.380 nan 0.000 0.424 42 V N 1.355 121.299 119.914 0.051 0.000 2.255 42 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 42 V C 2.257 178.369 176.094 0.030 0.000 1.051 42 V CA 1.983 64.302 62.300 0.032 0.000 1.018 42 V CB -1.139 30.698 31.823 0.025 0.000 0.641 42 V HN 0.347 nan 8.190 nan 0.000 0.445 43 T N -0.329 114.252 114.554 0.046 0.000 2.684 43 T HA -0.226 4.124 4.350 -0.000 0.000 0.267 43 T C 2.059 176.782 174.700 0.038 0.000 1.036 43 T CA 1.685 63.810 62.100 0.043 0.000 1.148 43 T CB -0.273 68.637 68.868 0.069 0.000 0.863 43 T HN 0.416 nan 8.240 nan 0.000 0.436 44 R N 0.206 120.740 120.500 0.057 0.000 2.092 44 R HA 0.014 4.354 4.340 -0.000 0.000 0.231 44 R C 2.532 178.855 176.300 0.039 0.000 1.119 44 R CA 0.812 56.948 56.100 0.061 0.000 0.970 44 R CB -0.535 29.823 30.300 0.097 0.000 0.864 44 R HN 0.248 nan 8.270 nan 0.000 0.440 45 V N 1.516 121.447 119.914 0.028 0.000 2.358 45 V HA -0.208 3.912 4.120 -0.000 0.000 0.246 45 V C 2.333 178.414 176.094 -0.022 0.000 1.047 45 V CA 1.477 63.775 62.300 -0.004 0.000 1.035 45 V CB -0.396 31.428 31.823 0.001 0.000 0.658 45 V HN 0.275 nan 8.190 nan 0.000 0.452 46 L N 0.216 121.430 121.223 -0.015 0.000 2.013 46 L HA -0.249 4.091 4.340 -0.000 0.000 0.212 46 L C 2.756 179.605 176.870 -0.034 0.000 1.073 46 L CA 1.865 56.688 54.840 -0.029 0.000 0.753 46 L CB -0.810 41.233 42.059 -0.027 0.000 0.890 46 L HN 0.386 nan 8.230 nan 0.000 0.432 47 A N -0.838 121.969 122.820 -0.022 0.000 1.908 47 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 47 A C 2.204 179.766 177.584 -0.036 0.000 1.181 47 A CA 1.723 53.745 52.037 -0.025 0.000 0.627 47 A CB -0.480 18.512 19.000 -0.013 0.000 0.818 47 A HN 0.511 nan 8.150 nan 0.000 0.445 48 Q N -0.691 119.085 119.800 -0.040 0.000 2.079 48 Q HA -0.104 4.235 4.340 -0.000 0.000 0.200 48 Q C 2.158 178.108 176.000 -0.083 0.000 0.974 48 Q CA 1.574 57.339 55.803 -0.063 0.000 0.840 48 Q CB -0.315 28.366 28.738 -0.096 0.000 0.898 48 Q HN 0.494 nan 8.270 nan 0.000 0.430 49 V N -0.390 119.473 119.914 -0.085 0.000 2.490 49 V HA -0.167 3.953 4.120 -0.000 0.000 0.250 49 V C 1.481 177.516 176.094 -0.098 0.000 1.061 49 V CA 1.788 64.023 62.300 -0.108 0.000 1.064 49 V CB -0.502 31.266 31.823 -0.092 0.000 0.670 49 V HN 0.735 nan 8.190 nan 0.000 0.461 50 G N -0.438 108.320 108.800 -0.071 0.000 2.148 50 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.203 50 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.203 50 G C -0.134 174.738 174.900 -0.046 0.000 0.993 50 G CA -0.146 44.919 45.100 -0.058 0.000 0.661 50 G HN 0.441 nan 8.290 nan 0.000 0.518 51 E N 0.991 121.163 120.200 -0.047 0.000 2.354 51 E HA 0.378 4.728 4.350 -0.000 0.000 0.269 51 E C -2.324 174.254 176.600 -0.038 0.000 1.036 51 E CA -1.633 54.742 56.400 -0.041 0.000 0.876 51 E CB 0.824 30.489 29.700 -0.057 0.000 1.009 51 E HN 0.181 nan 8.360 nan 0.000 0.416 52 P HA 0.103 nan 4.420 nan 0.000 0.271 52 P C -0.752 176.516 177.300 -0.054 0.000 1.226 52 P CA -0.039 63.040 63.100 -0.035 0.000 0.765 52 P CB 0.713 32.402 31.700 -0.018 0.000 0.835 53 V N 5.165 125.051 119.914 -0.047 0.000 2.971 53 V HA 0.535 4.654 4.120 -0.000 0.000 0.309 53 V C -1.721 174.344 176.094 -0.047 0.000 1.130 53 V CA -0.968 61.303 62.300 -0.047 0.000 0.964 53 V CB 2.274 34.077 31.823 -0.034 0.000 1.029 53 V HN 0.365 nan 8.190 nan 0.000 0.427 54 L N 5.453 126.644 121.223 -0.053 0.000 2.381 54 L HA 0.861 5.201 4.340 -0.000 0.000 0.274 54 L C -0.055 176.782 176.870 -0.056 0.000 0.988 54 L CA -0.515 54.285 54.840 -0.066 0.000 0.824 54 L CB 1.745 43.754 42.059 -0.084 0.000 1.263 54 L HN 0.886 nan 8.230 nan 0.000 0.410 55 A N 3.503 126.273 122.820 -0.083 0.000 2.290 55 A HA 0.689 5.009 4.320 -0.000 0.000 0.310 55 A C -0.384 177.065 177.584 -0.225 0.000 1.202 55 A CA -0.200 51.783 52.037 -0.090 0.000 0.837 55 A CB 1.484 20.453 19.000 -0.052 0.000 1.139 55 A HN 0.660 nan 8.150 nan 0.000 0.509 56 S N 0.614 116.316 115.700 0.003 0.000 2.704 56 S HA 0.960 5.430 4.470 -0.000 0.000 0.296 56 S C 0.005 174.869 174.600 0.440 0.000 1.138 56 S CA 0.303 58.599 58.200 0.160 0.000 0.875 56 S CB 1.750 65.100 63.200 0.249 0.000 1.151 56 S HN 2.396 nan 8.310 nan 0.000 0.500 57 G N 0.451 109.579 108.800 0.547 0.000 2.350 57 G HA2 0.251 4.211 3.960 -0.000 0.000 0.282 57 G HA3 0.251 4.211 3.960 -0.000 0.000 0.282 57 G C -2.017 172.930 174.900 0.078 0.000 1.314 57 G CA -0.887 44.326 45.100 0.188 0.000 0.915 57 G HN 0.581 nan 8.290 nan 0.000 0.499 58 F N -0.150 119.848 119.950 0.079 0.000 2.420 58 F HA 0.806 5.333 4.527 -0.000 0.000 0.342 58 F C 0.384 176.159 175.800 -0.042 0.000 1.113 58 F CA -0.619 57.418 58.000 0.061 0.000 1.059 58 F CB 1.983 40.943 39.000 -0.065 0.000 1.128 58 F HN 0.412 nan 8.300 nan 0.000 0.475 59 I N 1.626 122.296 120.570 0.166 0.000 2.769 59 I HA 0.840 5.010 4.170 -0.000 0.000 0.298 59 I C -0.513 175.618 176.117 0.024 0.000 1.128 59 I CA -0.116 61.146 61.300 -0.063 0.000 1.031 59 I CB 2.298 40.083 38.000 -0.357 0.000 1.235 59 I HN 0.600 nan 8.210 nan 0.000 0.423 60 G N 3.316 112.106 108.800 -0.017 0.000 2.632 60 G HA2 0.626 4.586 3.960 -0.000 0.000 0.292 60 G HA3 0.626 4.586 3.960 -0.000 0.000 0.292 60 G C -0.587 174.308 174.900 -0.009 0.000 1.465 60 G CA 0.017 45.120 45.100 0.005 0.000 0.824 60 G HN 1.315 nan 8.290 nan 0.000 0.509 61 G N 0.347 109.147 108.800 0.001 0.000 2.741 61 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.222 61 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.222 61 G C 0.660 175.564 174.900 0.008 0.000 1.364 61 G CA 0.691 45.791 45.100 -0.000 0.000 0.866 61 G HN 1.018 nan 8.290 nan 0.000 0.555 62 E N -0.297 119.909 120.200 0.009 0.000 2.118 62 E HA -0.033 4.317 4.350 -0.000 0.000 0.195 62 E C 2.722 179.350 176.600 0.047 0.000 0.992 62 E CA 1.661 58.077 56.400 0.027 0.000 0.804 62 E CB -0.142 29.568 29.700 0.016 0.000 0.741 62 E HN 0.494 nan 8.360 nan 0.000 0.458 63 L N -0.309 120.921 121.223 0.012 0.000 2.156 63 L HA -0.006 4.334 4.340 -0.000 0.000 0.208 63 L C 2.401 179.299 176.870 0.047 0.000 1.095 63 L CA 0.943 55.791 54.840 0.013 0.000 0.770 63 L CB -0.791 41.234 42.059 -0.056 0.000 0.914 63 L HN 0.264 nan 8.230 nan 0.000 0.439 64 G N -0.283 108.515 108.800 -0.003 0.000 2.476 64 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.218 64 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.218 64 G C 1.498 176.392 174.900 -0.010 0.000 1.164 64 G CA 0.501 45.573 45.100 -0.047 0.000 0.768 64 G HN 0.398 nan 8.290 nan 0.000 0.560 65 Q N -0.872 118.952 119.800 0.041 0.000 2.119 65 Q HA -0.051 4.289 4.340 -0.000 0.000 0.201 65 Q C 2.258 178.304 176.000 0.076 0.000 0.972 65 Q CA 1.021 56.857 55.803 0.054 0.000 0.847 65 Q CB -0.260 28.513 28.738 0.058 0.000 0.903 65 Q HN 0.558 nan 8.270 nan 0.000 0.433 66 F N 1.447 121.379 119.950 -0.030 0.000 2.095 66 F HA -0.239 4.288 4.527 -0.000 0.000 0.298 66 F C 1.953 177.738 175.800 -0.024 0.000 1.104 66 F CA 1.310 59.295 58.000 -0.025 0.000 1.232 66 F CB -0.079 38.902 39.000 -0.031 0.000 0.987 66 F HN -0.050 nan 8.300 nan 0.000 0.475 67 I N 0.232 120.901 120.570 0.166 0.000 2.127 67 I HA -0.350 3.820 4.170 -0.000 0.000 0.241 67 I C 2.753 178.842 176.117 -0.047 0.000 1.075 67 I CA 1.318 62.649 61.300 0.051 0.000 1.334 67 I CB -1.037 36.958 38.000 -0.010 0.000 1.040 67 I HN 0.256 nan 8.210 nan 0.000 0.405 68 A N 0.624 123.400 122.820 -0.072 0.000 1.917 68 A HA -0.312 4.008 4.320 -0.000 0.000 0.219 68 A C 2.365 179.921 177.584 -0.046 0.000 1.182 68 A CA 2.280 54.246 52.037 -0.118 0.000 0.633 68 A CB -0.629 18.355 19.000 -0.027 0.000 0.819 68 A HN 0.392 nan 8.150 nan 0.000 0.448 69 K N -0.589 119.775 120.400 -0.060 0.000 2.026 69 K HA -0.171 4.149 4.320 -0.000 0.000 0.208 69 K C 1.998 178.573 176.600 -0.042 0.000 1.048 69 K CA 1.460 57.708 56.287 -0.064 0.000 0.929 69 K CB -0.096 32.316 32.500 -0.147 0.000 0.713 69 K HN 0.211 nan 8.250 nan 0.000 0.439 70 K N 0.879 121.198 120.400 -0.134 0.000 2.032 70 K HA -0.152 4.168 4.320 -0.000 0.000 0.209 70 K C 2.146 178.872 176.600 0.210 0.000 1.048 70 K CA 1.365 57.679 56.287 0.046 0.000 0.927 70 K CB -0.433 32.015 32.500 -0.086 0.000 0.712 70 K HN 0.274 nan 8.250 nan 0.000 0.441 71 L N 0.947 122.218 121.223 0.080 0.000 2.093 71 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 71 L C 1.955 178.877 176.870 0.086 0.000 1.085 71 L CA 1.069 55.956 54.840 0.080 0.000 0.755 71 L CB -0.476 41.635 42.059 0.087 0.000 0.904 71 L HN 0.087 nan 8.230 nan 0.000 0.435 72 D N -0.627 119.848 120.400 0.124 0.000 2.117 72 D HA -0.202 4.437 4.640 -0.000 0.000 0.198 72 D C 1.951 178.292 176.300 0.070 0.000 0.982 72 D CA 1.671 55.748 54.000 0.129 0.000 0.828 72 D CB -0.257 40.631 40.800 0.147 0.000 0.967 72 D HN 0.571 nan 8.370 nan 0.000 0.464 73 H N 0.167 119.241 119.070 0.007 0.000 2.387 73 H HA 0.077 4.633 4.556 -0.000 0.000 0.299 73 H C 1.512 176.844 175.328 0.007 0.000 1.090 73 H CA 1.974 58.019 56.048 -0.007 0.000 1.332 73 H CB -0.138 29.603 29.762 -0.036 0.000 1.386 73 H HN 0.042 nan 8.280 nan 0.000 0.516 74 A N -0.004 122.409 122.820 -0.678 0.000 2.251 74 A HA 0.052 4.371 4.320 -0.000 0.000 0.209 74 A C 0.513 177.978 177.584 -0.199 0.000 1.187 74 A CA 0.513 52.223 52.037 -0.545 0.000 0.823 74 A CB 0.047 18.767 19.000 -0.466 0.000 0.846 74 A HN 0.591 nan 8.150 nan 0.000 0.486 75 D N -1.133 119.200 120.400 -0.111 0.000 2.981 75 D HA -0.144 4.495 4.640 -0.000 0.000 0.223 75 D C -0.259 176.025 176.300 -0.027 0.000 1.151 75 D CA 0.865 54.837 54.000 -0.047 0.000 0.827 75 D CB -1.537 39.233 40.800 -0.050 0.000 1.101 75 D HN 0.555 nan 8.370 nan 0.000 0.426 76 I N 0.981 121.550 120.570 -0.002 0.000 2.371 76 I HA 0.056 4.226 4.170 -0.000 0.000 0.290 76 I C 1.075 177.235 176.117 0.071 0.000 1.028 76 I CA -0.220 61.096 61.300 0.027 0.000 1.345 76 I CB 0.791 38.816 38.000 0.042 0.000 1.407 76 I HN -0.319 nan 8.210 nan 0.000 0.501 77 K N 6.119 126.519 120.400 0.001 0.000 2.322 77 K HA 0.324 4.643 4.320 -0.000 0.000 0.283 77 K C -0.741 175.816 176.600 -0.071 0.000 1.042 77 K CA -0.331 55.912 56.287 -0.075 0.000 0.958 77 K CB 0.523 32.968 32.500 -0.093 0.000 0.984 77 K HN 0.629 nan 8.250 nan 0.000 0.473 78 H N -1.426 117.542 119.070 -0.170 0.000 2.961 78 H HA 0.647 5.203 4.556 -0.000 0.000 0.371 78 H C -1.416 173.737 175.328 -0.292 0.000 1.190 78 H CA -1.285 54.535 56.048 -0.380 0.000 1.138 78 H CB 1.861 31.255 29.762 -0.614 0.000 1.816 78 H HN 0.517 nan 8.280 nan 0.000 0.551 79 A N 2.934 125.608 122.820 -0.243 0.000 3.266 79 A HA 0.382 4.702 4.320 -0.000 0.000 0.310 79 A C -1.296 176.403 177.584 0.192 0.000 1.066 79 A CA -0.589 51.454 52.037 0.010 0.000 0.839 79 A CB -0.662 18.396 19.000 0.097 0.000 1.192 79 A HN 0.521 nan 8.150 nan 0.000 0.496 80 F N -0.143 120.002 119.950 0.325 0.000 2.410 80 F HA 0.299 4.826 4.527 -0.000 0.000 0.334 80 F C 0.473 176.426 175.800 0.256 0.000 1.134 80 F CA -0.125 58.057 58.000 0.304 0.000 1.227 80 F CB 0.678 39.817 39.000 0.231 0.000 1.194 80 F HN 0.520 nan 8.300 nan 0.000 0.571 81 Y N 4.231 124.783 120.300 0.419 0.000 2.350 81 Y HA 0.175 4.725 4.550 -0.000 0.000 0.340 81 Y C 0.167 176.253 175.900 0.310 0.000 1.006 81 Y CA -1.223 57.048 58.100 0.286 0.000 1.166 81 Y CB 0.235 38.927 38.460 0.387 0.000 1.168 81 Y HN 0.517 nan 8.280 nan 0.000 0.502 82 N N 7.263 125.993 118.700 0.050 0.000 2.488 82 N HA 0.235 4.975 4.740 -0.000 0.000 0.274 82 N C -0.694 174.926 175.510 0.184 0.000 1.111 82 N CA -0.235 52.883 53.050 0.113 0.000 0.974 82 N CB 1.638 40.133 38.487 0.014 0.000 1.089 82 N HN 0.757 nan 8.380 nan 0.000 0.465 83 I N -2.513 118.175 120.570 0.197 0.000 3.023 83 I HA 0.427 4.597 4.170 -0.000 0.000 0.312 83 I C 0.724 176.881 176.117 0.068 0.000 1.056 83 I CA -1.169 60.228 61.300 0.163 0.000 1.033 83 I CB 1.980 40.046 38.000 0.111 0.000 1.233 83 I HN 0.262 nan 8.210 nan 0.000 0.462 84 K N 2.020 122.444 120.400 0.040 0.000 2.167 84 K HA 0.160 4.480 4.320 -0.000 0.000 0.203 84 K C 1.091 177.686 176.600 -0.007 0.000 1.052 84 K CA 0.764 57.059 56.287 0.014 0.000 0.956 84 K CB -0.185 32.320 32.500 0.008 0.000 0.735 84 K HN 0.857 nan 8.250 nan 0.000 0.451 85 G N 1.224 110.009 108.800 -0.026 0.000 2.621 85 G HA2 0.083 4.043 3.960 -0.000 0.000 0.271 85 G HA3 0.083 4.043 3.960 -0.000 0.000 0.271 85 G C -0.847 174.035 174.900 -0.030 0.000 1.236 85 G CA -0.463 44.612 45.100 -0.041 0.000 0.958 85 G HN 0.101 nan 8.290 nan 0.000 0.512 86 E N -0.502 119.675 120.200 -0.037 0.000 2.179 86 E HA 0.331 4.681 4.350 -0.000 0.000 0.275 86 E C -0.193 176.383 176.600 -0.040 0.000 0.945 86 E CA -0.381 55.999 56.400 -0.033 0.000 0.792 86 E CB 1.409 31.090 29.700 -0.031 0.000 1.125 86 E HN 0.311 nan 8.360 nan 0.000 0.397 87 T N 2.866 117.397 114.554 -0.039 0.000 2.946 87 T HA 0.014 4.364 4.350 -0.000 0.000 0.311 87 T C 0.464 175.135 174.700 -0.048 0.000 1.063 87 T CA 0.066 62.139 62.100 -0.047 0.000 1.139 87 T CB 0.186 69.019 68.868 -0.059 0.000 0.994 87 T HN 0.438 nan 8.240 nan 0.000 0.547 88 R N 2.487 122.960 120.500 -0.045 0.000 2.546 88 R HA 0.391 4.731 4.340 -0.000 0.000 0.266 88 R C -0.472 175.796 176.300 -0.053 0.000 1.086 88 R CA -0.720 55.353 56.100 -0.045 0.000 1.160 88 R CB 0.522 30.800 30.300 -0.036 0.000 1.138 88 R HN 0.535 nan 8.270 nan 0.000 0.567 89 N N -0.975 117.693 118.700 -0.053 0.000 2.472 89 N HA 0.403 5.143 4.740 -0.000 0.000 0.289 89 N C -1.309 174.179 175.510 -0.036 0.000 1.156 89 N CA -0.522 52.492 53.050 -0.060 0.000 0.940 89 N CB 1.767 40.216 38.487 -0.064 0.000 1.200 89 N HN 0.448 nan 8.380 nan 0.000 0.511 90 C N 0.986 120.265 119.300 -0.035 0.000 2.802 90 C HA 0.677 5.137 4.460 -0.000 0.000 0.307 90 C C -0.500 174.478 174.990 -0.021 0.000 1.222 90 C CA -0.868 58.142 59.018 -0.015 0.000 1.580 90 C CB 0.410 28.148 27.740 -0.003 0.000 2.119 90 C HN 0.722 nan 8.230 nan 0.000 0.479 91 I N 0.140 120.715 120.570 0.008 0.000 2.846 91 I HA 0.969 5.139 4.170 -0.000 0.000 0.307 91 I C -0.472 175.668 176.117 0.039 0.000 1.053 91 I CA -0.539 60.771 61.300 0.017 0.000 1.050 91 I CB 1.992 40.064 38.000 0.120 0.000 1.239 91 I HN 0.704 nan 8.210 nan 0.000 0.439 92 A N 5.943 128.783 122.820 0.033 0.000 2.375 92 A HA 0.792 5.112 4.320 -0.000 0.000 0.295 92 A C -0.944 176.717 177.584 0.128 0.000 1.066 92 A CA -0.494 51.585 52.037 0.069 0.000 0.722 92 A CB 0.906 19.929 19.000 0.038 0.000 1.206 92 A HN 0.693 nan 8.150 nan 0.000 0.435 93 I N 2.850 123.521 120.570 0.167 0.000 2.336 93 I HA 0.333 4.503 4.170 -0.000 0.000 0.292 93 I C -0.737 175.544 176.117 0.275 0.000 0.991 93 I CA -0.324 61.099 61.300 0.206 0.000 1.227 93 I CB 1.490 39.546 38.000 0.093 0.000 1.366 93 I HN 0.486 nan 8.210 nan 0.000 0.466 94 L N 7.577 128.941 121.223 0.234 0.000 2.277 94 L HA 0.479 4.819 4.340 -0.000 0.000 0.284 94 L C -0.749 176.259 176.870 0.230 0.000 1.028 94 L CA -0.534 54.421 54.840 0.192 0.000 0.835 94 L CB 0.237 42.360 42.059 0.107 0.000 1.215 94 L HN 0.709 nan 8.230 nan 0.000 0.425 95 H N 0.023 119.114 119.070 0.035 0.000 3.017 95 H HA 0.358 4.914 4.556 -0.000 0.000 0.340 95 H C -0.700 174.640 175.328 0.020 0.000 1.014 95 H CA -0.980 55.084 56.048 0.027 0.000 1.341 95 H CB 1.082 30.858 29.762 0.023 0.000 1.739 95 H HN 0.575 nan 8.280 nan 0.000 0.506 96 E N 2.537 122.730 120.200 -0.011 0.000 2.360 96 E HA -0.284 4.066 4.350 -0.000 0.000 0.238 96 E C 1.047 177.585 176.600 -0.104 0.000 1.186 96 E CA 0.961 57.332 56.400 -0.048 0.000 0.719 96 E CB -1.433 28.256 29.700 -0.018 0.000 1.236 96 E HN 1.334 nan 8.360 nan 0.000 0.386 97 G N -0.343 108.402 108.800 -0.092 0.000 2.179 97 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.260 97 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.260 97 G C 0.139 174.964 174.900 -0.124 0.000 0.977 97 G CA 0.663 45.714 45.100 -0.081 0.000 0.641 97 G HN 0.355 nan 8.290 nan 0.000 0.533 98 Q N -0.286 119.360 119.800 -0.257 0.000 2.222 98 Q HA 0.585 4.925 4.340 -0.000 0.000 0.252 98 Q C -0.042 175.854 176.000 -0.174 0.000 0.926 98 Q CA -0.367 55.256 55.803 -0.301 0.000 0.899 98 Q CB 1.396 29.787 28.738 -0.578 0.000 1.250 98 Q HN 0.346 nan 8.270 nan 0.000 0.441 99 Q N 1.721 121.494 119.800 -0.044 0.000 2.523 99 Q HA 0.249 4.589 4.340 -0.000 0.000 0.251 99 Q C -1.357 174.694 176.000 0.086 0.000 1.033 99 Q CA -0.208 55.620 55.803 0.042 0.000 0.746 99 Q CB 0.947 29.703 28.738 0.029 0.000 1.189 99 Q HN 0.520 nan 8.270 nan 0.000 0.508 100 T N 3.466 118.121 114.554 0.168 0.000 2.743 100 T HA 0.341 4.691 4.350 -0.000 0.000 0.292 100 T C -0.718 174.051 174.700 0.115 0.000 0.972 100 T CA -0.364 61.837 62.100 0.168 0.000 0.967 100 T CB 0.878 69.911 68.868 0.275 0.000 0.926 100 T HN 0.486 nan 8.240 nan 0.000 0.459 101 E N 2.671 122.920 120.200 0.081 0.000 2.212 101 E HA 0.544 4.894 4.350 -0.000 0.000 0.268 101 E C -0.680 175.951 176.600 0.050 0.000 0.902 101 E CA -0.764 55.674 56.400 0.064 0.000 0.779 101 E CB 2.258 31.990 29.700 0.052 0.000 1.172 101 E HN 0.505 nan 8.360 nan 0.000 0.409 102 I N 3.669 124.266 120.570 0.045 0.000 2.418 102 I HA 0.303 4.473 4.170 -0.000 0.000 0.287 102 I C -0.810 175.322 176.117 0.024 0.000 1.008 102 I CA -0.615 60.705 61.300 0.032 0.000 1.104 102 I CB 0.953 38.971 38.000 0.031 0.000 1.264 102 I HN 0.274 nan 8.210 nan 0.000 0.438 103 L N 6.307 127.541 121.223 0.018 0.000 2.325 103 L HA 0.491 4.831 4.340 -0.000 0.000 0.281 103 L C -0.039 176.833 176.870 0.003 0.000 1.004 103 L CA -0.677 54.170 54.840 0.012 0.000 0.823 103 L CB 1.480 43.550 42.059 0.018 0.000 1.236 103 L HN 0.568 nan 8.230 nan 0.000 0.415 104 E N 1.740 121.937 120.200 -0.004 0.000 2.373 104 E HA 0.091 4.441 4.350 -0.000 0.000 0.263 104 E C 0.238 176.827 176.600 -0.018 0.000 1.073 104 E CA -0.370 56.022 56.400 -0.013 0.000 0.894 104 E CB 1.417 31.105 29.700 -0.020 0.000 1.008 104 E HN 0.556 nan 8.360 nan 0.000 0.420 105 Q N 0.997 120.782 119.800 -0.025 0.000 2.084 105 Q HA -0.064 4.276 4.340 -0.000 0.000 0.202 105 Q C 0.789 176.762 176.000 -0.045 0.000 0.978 105 Q CA 1.116 56.899 55.803 -0.034 0.000 0.844 105 Q CB -0.040 28.674 28.738 -0.039 0.000 0.898 105 Q HN 0.809 nan 8.270 nan 0.000 0.426 106 G N 0.866 109.638 108.800 -0.047 0.000 2.685 106 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.387 106 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.387 106 G C -2.795 172.059 174.900 -0.075 0.000 1.324 106 G CA -0.561 44.505 45.100 -0.057 0.000 0.878 106 G HN 0.113 nan 8.290 nan 0.000 0.527 107 P HA 0.438 nan 4.420 nan 0.000 0.276 107 P C -0.447 176.762 177.300 -0.150 0.000 1.244 107 P CA -0.228 62.806 63.100 -0.109 0.000 0.801 107 P CB 1.121 32.755 31.700 -0.109 0.000 1.006 108 E N 0.722 120.837 120.200 -0.142 0.000 2.289 108 E HA 0.267 4.617 4.350 -0.000 0.000 0.278 108 E C -0.398 176.068 176.600 -0.223 0.000 1.032 108 E CA -0.453 55.846 56.400 -0.168 0.000 0.854 108 E CB 0.248 29.876 29.700 -0.120 0.000 1.046 108 E HN 0.241 nan 8.360 nan 0.000 0.409 109 I N 4.544 124.925 120.570 -0.315 0.000 2.336 109 I HA 0.126 4.296 4.170 -0.000 0.000 0.292 109 I C 0.185 176.141 176.117 -0.269 0.000 0.991 109 I CA -0.885 60.163 61.300 -0.419 0.000 1.227 109 I CB 0.624 38.162 38.000 -0.771 0.000 1.366 109 I HN 0.591 nan 8.210 nan 0.000 0.466 110 D N 5.076 125.369 120.400 -0.177 0.000 2.377 110 D HA 0.079 4.718 4.640 -0.000 0.000 0.245 110 D C 0.701 176.955 176.300 -0.076 0.000 1.196 110 D CA -0.329 53.612 54.000 -0.098 0.000 0.962 110 D CB 0.580 41.353 40.800 -0.045 0.000 1.127 110 D HN 0.418 nan 8.370 nan 0.000 0.471 111 N N -0.361 118.318 118.700 -0.035 0.000 2.149 111 N HA -0.196 4.544 4.740 -0.000 0.000 0.188 111 N C 1.550 177.079 175.510 0.033 0.000 1.019 111 N CA 1.026 54.074 53.050 -0.003 0.000 0.857 111 N CB -0.010 38.482 38.487 0.009 0.000 0.997 111 N HN 0.541 nan 8.380 nan 0.000 0.426 112 Q N 0.822 120.649 119.800 0.046 0.000 2.123 112 Q HA -0.099 4.241 4.340 -0.000 0.000 0.199 112 Q C 1.575 177.648 176.000 0.122 0.000 0.966 112 Q CA 1.028 56.884 55.803 0.089 0.000 0.845 112 Q CB 0.064 28.859 28.738 0.096 0.000 0.907 112 Q HN 0.430 nan 8.270 nan 0.000 0.439 113 E N 0.424 120.683 120.200 0.098 0.000 2.072 113 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 113 E C 1.895 178.494 176.600 -0.002 0.000 0.985 113 E CA 0.928 57.381 56.400 0.089 0.000 0.801 113 E CB -0.062 29.683 29.700 0.074 0.000 0.750 113 E HN 0.319 nan 8.360 nan 0.000 0.452 114 A N 1.292 124.124 122.820 0.021 0.000 1.930 114 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 114 A C 2.343 180.109 177.584 0.305 0.000 1.175 114 A CA 1.564 53.696 52.037 0.158 0.000 0.627 114 A CB -0.541 18.460 19.000 0.003 0.000 0.815 114 A HN 0.288 nan 8.150 nan 0.000 0.443 115 A N -0.461 122.468 122.820 0.181 0.000 1.898 115 A HA 0.184 4.504 4.320 -0.000 0.000 0.216 115 A C 2.406 180.081 177.584 0.153 0.000 1.181 115 A CA 1.768 53.904 52.037 0.165 0.000 0.620 115 A CB -1.357 17.715 19.000 0.119 0.000 0.819 115 A HN 0.696 nan 8.150 nan 0.000 0.442 116 G N -1.246 107.630 108.800 0.126 0.000 2.422 116 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 116 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 116 G C 1.464 176.409 174.900 0.075 0.000 1.146 116 G CA 1.153 46.345 45.100 0.154 0.000 0.769 116 G HN 0.480 nan 8.290 nan 0.000 0.547 117 F N 1.328 121.118 119.950 -0.266 0.000 2.134 117 F HA -0.054 4.473 4.527 -0.000 0.000 0.299 117 F C 2.441 178.319 175.800 0.130 0.000 1.097 117 F CA 0.884 58.809 58.000 -0.125 0.000 1.264 117 F CB 0.003 38.882 39.000 -0.202 0.000 1.001 117 F HN -0.004 nan 8.300 nan 0.000 0.479 118 I N 0.867 121.528 120.570 0.151 0.000 2.151 118 I HA -0.311 3.859 4.170 -0.000 0.000 0.243 118 I C 2.245 178.379 176.117 0.027 0.000 1.080 118 I CA 1.503 62.833 61.300 0.050 0.000 1.339 118 I CB -1.279 36.755 38.000 0.056 0.000 1.039 118 I HN 0.203 nan 8.210 nan 0.000 0.409 119 K N -0.373 120.058 120.400 0.052 0.000 2.057 119 K HA -0.225 4.095 4.320 -0.000 0.000 0.207 119 K C 2.129 178.754 176.600 0.041 0.000 1.049 119 K CA 1.358 57.676 56.287 0.052 0.000 0.931 119 K CB -0.839 31.715 32.500 0.090 0.000 0.714 119 K HN 0.371 nan 8.250 nan 0.000 0.440 120 H N 0.735 119.768 119.070 -0.060 0.000 2.321 120 H HA -0.138 4.418 4.556 -0.000 0.000 0.300 120 H C 1.904 177.101 175.328 -0.218 0.000 1.087 120 H CA 1.770 57.763 56.048 -0.093 0.000 1.319 120 H CB -0.506 29.258 29.762 0.003 0.000 1.379 120 H HN 0.164 nan 8.280 nan 0.000 0.501 121 F N 1.483 121.052 119.950 -0.636 0.000 2.095 121 F HA -0.156 4.371 4.527 -0.000 0.000 0.298 121 F C 2.287 177.876 175.800 -0.351 0.000 1.104 121 F CA 2.036 59.655 58.000 -0.635 0.000 1.232 121 F CB -0.384 38.199 39.000 -0.695 0.000 0.987 121 F HN 0.273 nan 8.300 nan 0.000 0.475 122 E N 0.199 120.208 120.200 -0.319 0.000 2.070 122 E HA -0.257 4.093 4.350 -0.000 0.000 0.197 122 E C 1.209 177.606 176.600 -0.338 0.000 1.004 122 E CA 1.397 57.605 56.400 -0.321 0.000 0.805 122 E CB -0.372 29.265 29.700 -0.106 0.000 0.744 122 E HN 0.664 nan 8.360 nan 0.000 0.451 127 K N 1.378 121.682 120.400 -0.160 0.000 2.373 127 K HA 0.199 4.519 4.320 -0.000 0.000 0.202 127 K C 0.545 177.082 176.600 -0.105 0.000 1.025 127 K CA 0.352 56.570 56.287 -0.115 0.000 1.115 127 K CB 1.920 34.356 32.500 -0.108 0.000 0.858 127 K HN 0.049 nan 8.250 nan 0.000 0.525 128 V N -2.270 117.569 119.914 -0.125 0.000 3.193 128 V HA 0.332 4.452 4.120 -0.000 0.000 0.320 128 V C 0.540 176.577 176.094 -0.094 0.000 1.112 128 V CA -0.673 61.560 62.300 -0.112 0.000 1.026 128 V CB 1.787 33.534 31.823 -0.126 0.000 1.128 128 V HN 0.032 nan 8.190 nan 0.000 0.452 129 E N 0.648 120.784 120.200 -0.106 0.000 2.465 129 E HA 0.525 4.875 4.350 -0.000 0.000 0.209 129 E C 0.384 176.928 176.600 -0.093 0.000 0.951 129 E CA 0.741 57.083 56.400 -0.096 0.000 0.997 129 E CB 1.485 31.102 29.700 -0.137 0.000 1.025 129 E HN 0.969 nan 8.360 nan 0.000 0.500 130 A N 0.921 123.682 122.820 -0.100 0.000 2.566 130 A HA 0.528 4.848 4.320 -0.000 0.000 0.297 130 A C -1.170 176.384 177.584 -0.049 0.000 1.059 130 A CA -0.538 51.455 52.037 -0.074 0.000 0.691 130 A CB 1.780 20.717 19.000 -0.104 0.000 1.282 130 A HN -0.036 nan 8.150 nan 0.000 0.401 131 V N 1.371 121.277 119.914 -0.013 0.000 2.444 131 V HA 0.690 4.810 4.120 -0.000 0.000 0.294 131 V C 0.404 176.501 176.094 0.005 0.000 1.022 131 V CA -0.180 62.135 62.300 0.025 0.000 0.850 131 V CB 1.436 33.322 31.823 0.105 0.000 0.992 131 V HN 1.420 nan 8.190 nan 0.000 0.426 132 A N 6.824 129.644 122.820 0.000 0.000 2.253 132 A HA 0.813 5.133 4.320 -0.000 0.000 0.316 132 A C -0.483 177.091 177.584 -0.016 0.000 1.327 132 A CA -0.340 51.686 52.037 -0.017 0.000 0.917 132 A CB 0.113 19.101 19.000 -0.020 0.000 1.162 132 A HN 0.796 nan 8.150 nan 0.000 0.535 133 I N 2.532 123.061 120.570 -0.068 0.000 2.330 133 I HA 0.325 4.495 4.170 -0.000 0.000 0.289 133 I C -0.117 175.925 176.117 -0.125 0.000 1.001 133 I CA 0.043 61.260 61.300 -0.138 0.000 1.193 133 I CB 1.676 39.471 38.000 -0.343 0.000 1.345 133 I HN 0.499 nan 8.210 nan 0.000 0.461 134 S N 3.971 119.651 115.700 -0.033 0.000 2.557 134 S HA 0.901 5.371 4.470 -0.000 0.000 0.291 134 S C 0.062 174.717 174.600 0.092 0.000 1.116 134 S CA -0.514 57.697 58.200 0.020 0.000 0.992 134 S CB 2.069 65.289 63.200 0.033 0.000 1.028 134 S HN 1.107 nan 8.310 nan 0.000 0.484 135 G N 1.974 110.844 108.800 0.117 0.000 2.566 135 G HA2 0.011 3.971 3.960 -0.000 0.000 0.599 135 G HA3 0.011 3.971 3.960 -0.000 0.000 0.599 135 G C -0.253 174.771 174.900 0.207 0.000 1.292 135 G CA -0.503 44.681 45.100 0.140 0.000 0.922 135 G HN 1.375 nan 8.290 nan 0.000 0.514 136 S N -0.743 115.036 115.700 0.131 0.000 2.608 136 S HA 0.651 5.121 4.470 -0.000 0.000 0.261 136 S C 0.381 175.009 174.600 0.045 0.000 1.314 136 S CA -0.478 57.775 58.200 0.087 0.000 0.992 136 S CB 1.220 64.442 63.200 0.036 0.000 0.935 136 S HN 1.144 nan 8.310 nan 0.000 0.564 137 L N 2.452 123.627 121.223 -0.080 0.000 2.375 137 L HA 0.546 4.886 4.340 -0.000 0.000 0.271 137 L C -1.707 175.088 176.870 -0.125 0.000 1.107 137 L CA -2.080 52.656 54.840 -0.175 0.000 0.806 137 L CB 0.039 41.919 42.059 -0.299 0.000 1.146 137 L HN 0.619 nan 8.230 nan 0.000 0.447 138 P HA 0.162 nan 4.420 nan 0.000 0.277 138 P C -0.803 176.380 177.300 -0.195 0.000 1.271 138 P CA -0.652 62.354 63.100 -0.156 0.000 0.795 138 P CB 0.745 32.328 31.700 -0.194 0.000 1.101 139 K N -0.686 119.609 120.400 -0.175 0.000 2.219 139 K HA 0.348 4.668 4.320 -0.000 0.000 0.258 139 K C 1.138 177.613 176.600 -0.208 0.000 1.008 139 K CA 0.505 56.694 56.287 -0.163 0.000 0.928 139 K CB -0.320 32.106 32.500 -0.123 0.000 0.983 139 K HN 0.863 nan 8.250 nan 0.000 0.484 140 G N 0.759 109.454 108.800 -0.175 0.000 2.195 140 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.246 140 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.246 140 G C -0.004 174.771 174.900 -0.208 0.000 0.984 140 G CA -0.245 44.749 45.100 -0.176 0.000 0.633 140 G HN 0.413 nan 8.290 nan 0.000 0.525 141 L N 2.052 123.115 121.223 -0.267 0.000 2.326 141 L HA 0.355 4.695 4.340 -0.000 0.000 0.278 141 L C 0.822 177.594 176.870 -0.163 0.000 1.092 141 L CA -1.017 53.629 54.840 -0.323 0.000 0.810 141 L CB 0.796 42.519 42.059 -0.560 0.000 1.153 141 L HN 0.443 nan 8.230 nan 0.000 0.439 142 N N 2.307 120.970 118.700 -0.062 0.000 2.374 142 N HA -0.126 4.614 4.740 -0.000 0.000 0.241 142 N C 0.520 176.046 175.510 0.026 0.000 1.262 142 N CA -0.201 52.855 53.050 0.009 0.000 0.880 142 N CB 0.427 38.952 38.487 0.063 0.000 1.105 142 N HN 0.679 nan 8.380 nan 0.000 0.438 143 Q N -0.400 119.410 119.800 0.016 0.000 2.291 143 Q HA -0.172 4.168 4.340 -0.000 0.000 0.206 143 Q C 0.093 176.122 176.000 0.048 0.000 0.976 143 Q CA 1.739 57.549 55.803 0.012 0.000 0.875 143 Q CB -0.296 28.449 28.738 0.012 0.000 0.927 143 Q HN 0.760 nan 8.270 nan 0.000 0.450 144 D N -0.956 119.491 120.400 0.079 0.000 2.325 144 D HA -0.097 4.543 4.640 -0.000 0.000 0.234 144 D C 0.763 177.132 176.300 0.115 0.000 1.122 144 D CA -0.323 53.732 54.000 0.092 0.000 0.850 144 D CB -0.326 40.521 40.800 0.078 0.000 0.921 144 D HN 0.325 nan 8.370 nan 0.000 0.513 145 Y N 0.608 120.898 120.300 -0.016 0.000 2.145 145 Y HA -0.208 4.342 4.550 -0.000 0.000 0.286 145 Y C 1.815 177.763 175.900 0.080 0.000 1.145 145 Y CA 1.653 59.748 58.100 -0.009 0.000 1.148 145 Y CB -0.342 38.067 38.460 -0.085 0.000 0.981 145 Y HN 0.025 nan 8.280 nan 0.000 0.507 146 Y N -1.395 118.969 120.300 0.108 0.000 2.200 146 Y HA -0.260 4.290 4.550 -0.000 0.000 0.290 146 Y C 2.596 178.486 175.900 -0.016 0.000 1.137 146 Y CA 0.197 58.309 58.100 0.021 0.000 1.163 146 Y CB -0.405 38.089 38.460 0.056 0.000 0.988 146 Y HN 0.218 nan 8.280 nan 0.000 0.518 147 A N 0.435 123.368 122.820 0.188 0.000 1.883 147 A HA -0.303 4.017 4.320 -0.000 0.000 0.217 147 A C 2.015 179.627 177.584 0.046 0.000 1.186 147 A CA 2.000 54.116 52.037 0.132 0.000 0.624 147 A CB -0.848 18.235 19.000 0.140 0.000 0.822 147 A HN 0.513 nan 8.150 nan 0.000 0.444 148 Q N -0.736 119.049 119.800 -0.024 0.000 2.096 148 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 148 Q C 2.104 178.008 176.000 -0.160 0.000 0.982 148 Q CA 1.701 57.432 55.803 -0.121 0.000 0.850 148 Q CB -0.343 28.279 28.738 -0.193 0.000 0.901 148 Q HN 0.766 nan 8.270 nan 0.000 0.422 149 I N 0.267 120.720 120.570 -0.195 0.000 2.202 149 I HA -0.267 3.903 4.170 -0.000 0.000 0.242 149 I C 2.157 178.226 176.117 -0.079 0.000 1.091 149 I CA 1.025 62.169 61.300 -0.262 0.000 1.368 149 I CB -0.173 37.558 38.000 -0.449 0.000 1.058 149 I HN 0.185 nan 8.210 nan 0.000 0.410 150 I N 0.536 121.084 120.570 -0.037 0.000 2.286 150 I HA -0.294 3.876 4.170 -0.000 0.000 0.248 150 I C 2.583 178.700 176.117 0.000 0.000 1.115 150 I CA 1.358 62.671 61.300 0.022 0.000 1.392 150 I CB -0.460 37.577 38.000 0.062 0.000 1.065 150 I HN 0.314 nan 8.210 nan 0.000 0.418 151 E N 1.529 121.656 120.200 -0.122 0.000 2.097 151 E HA -0.277 4.073 4.350 -0.000 0.000 0.196 151 E C 2.345 178.782 176.600 -0.272 0.000 1.000 151 E CA 1.483 57.604 56.400 -0.465 0.000 0.804 151 E CB 0.036 29.257 29.700 -0.799 0.000 0.740 151 E HN 0.391 nan 8.360 nan 0.000 0.454 152 R N -0.440 119.989 120.500 -0.118 0.000 2.092 152 R HA -0.075 4.265 4.340 -0.000 0.000 0.231 152 R C 2.585 178.898 176.300 0.022 0.000 1.119 152 R CA 1.408 57.496 56.100 -0.021 0.000 0.970 152 R CB -0.283 30.070 30.300 0.088 0.000 0.864 152 R HN 0.319 nan 8.270 nan 0.000 0.440 153 C N 0.304 119.648 119.300 0.074 0.000 2.446 153 C HA -0.045 4.415 4.460 -0.000 0.000 0.277 153 C C 2.602 177.615 174.990 0.038 0.000 1.275 153 C CA 0.350 59.409 59.018 0.069 0.000 1.727 153 C CB -0.585 27.221 27.740 0.111 0.000 2.010 153 C HN 0.482 nan 8.230 nan 0.000 0.486 154 Q N 1.188 121.012 119.800 0.041 0.000 2.096 154 Q HA -0.145 4.195 4.340 -0.000 0.000 0.204 154 Q C 1.826 177.853 176.000 0.045 0.000 0.982 154 Q CA 1.471 57.315 55.803 0.068 0.000 0.850 154 Q CB -0.636 28.188 28.738 0.143 0.000 0.901 154 Q HN 0.664 nan 8.270 nan 0.000 0.422 155 N N 0.351 119.054 118.700 0.005 0.000 2.381 155 N HA -0.095 4.645 4.740 -0.000 0.000 0.182 155 N C 1.094 176.603 175.510 -0.002 0.000 1.025 155 N CA 0.840 53.889 53.050 -0.002 0.000 0.888 155 N CB 0.093 38.558 38.487 -0.036 0.000 0.965 155 N HN 0.116 nan 8.380 nan 0.000 0.438 156 K N -0.629 119.766 120.400 -0.007 0.000 2.358 156 K HA 0.227 4.547 4.320 -0.000 0.000 0.197 156 K C 0.708 177.307 176.600 -0.002 0.000 1.025 156 K CA 0.162 56.439 56.287 -0.016 0.000 1.104 156 K CB 0.395 32.869 32.500 -0.044 0.000 0.855 156 K HN 0.151 nan 8.250 nan 0.000 0.531 157 G N 1.806 110.615 108.800 0.016 0.000 2.198 157 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.260 157 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.260 157 G C 0.022 174.938 174.900 0.026 0.000 1.025 157 G CA 0.276 45.393 45.100 0.028 0.000 0.769 157 G HN 0.109 nan 8.290 nan 0.000 0.507 158 V N 2.579 122.503 119.914 0.016 0.000 2.385 158 V HA 0.404 4.524 4.120 -0.000 0.000 0.269 158 V C -1.024 175.087 176.094 0.028 0.000 1.043 158 V CA -1.459 60.847 62.300 0.009 0.000 0.906 158 V CB 1.375 33.188 31.823 -0.017 0.000 0.995 158 V HN 0.276 nan 8.190 nan 0.000 0.467 159 P HA 0.180 nan 4.420 nan 0.000 0.271 159 P C -0.777 176.540 177.300 0.028 0.000 1.218 159 P CA -0.008 63.116 63.100 0.039 0.000 0.780 159 P CB 1.200 32.922 31.700 0.037 0.000 0.901 160 V N 4.239 124.175 119.914 0.037 0.000 2.448 160 V HA 0.270 4.390 4.120 -0.000 0.000 0.295 160 V C 0.318 176.417 176.094 0.009 0.000 1.025 160 V CA -0.552 61.761 62.300 0.021 0.000 0.859 160 V CB 1.363 33.201 31.823 0.025 0.000 0.988 160 V HN 0.331 nan 8.190 nan 0.000 0.431 161 I N 6.100 126.660 120.570 -0.016 0.000 2.312 161 I HA 0.442 4.612 4.170 -0.000 0.000 0.290 161 I C -0.436 175.656 176.117 -0.042 0.000 1.008 161 I CA -0.069 61.215 61.300 -0.027 0.000 1.226 161 I CB 1.379 39.348 38.000 -0.052 0.000 1.371 161 I HN 0.437 nan 8.210 nan 0.000 0.468 162 L N 6.742 127.946 121.223 -0.032 0.000 2.341 162 L HA 0.632 4.972 4.340 -0.000 0.000 0.278 162 L C -1.046 175.811 176.870 -0.022 0.000 1.005 162 L CA 0.018 54.821 54.840 -0.061 0.000 0.818 162 L CB 1.484 43.505 42.059 -0.062 0.000 1.259 162 L HN 0.479 nan 8.230 nan 0.000 0.418 163 D N 4.521 124.904 120.400 -0.027 0.000 2.363 163 D HA 0.401 5.041 4.640 -0.000 0.000 0.258 163 D C -0.957 175.370 176.300 0.045 0.000 1.259 163 D CA -0.178 53.832 54.000 0.016 0.000 0.921 163 D CB 0.709 41.518 40.800 0.014 0.000 1.201 163 D HN 0.730 nan 8.370 nan 0.000 0.524 164 C N 0.738 120.085 119.300 0.078 0.000 3.307 164 C HA 1.014 5.474 4.460 -0.000 0.000 0.350 164 C C -0.258 174.802 174.990 0.116 0.000 1.549 164 C CA -0.622 58.473 59.018 0.129 0.000 1.396 164 C CB 1.236 29.117 27.740 0.236 0.000 1.970 164 C HN 0.502 nan 8.230 nan 0.000 0.441 165 S N -0.813 114.957 115.700 0.117 0.000 2.638 165 S HA 0.890 5.360 4.470 -0.000 0.000 0.274 165 S C 0.160 174.811 174.600 0.085 0.000 1.157 165 S CA 0.609 58.867 58.200 0.097 0.000 0.826 165 S CB 0.722 63.971 63.200 0.082 0.000 1.139 165 S HN 3.066 nan 8.310 nan 0.000 0.474 166 G N 1.346 110.191 108.800 0.075 0.000 2.552 166 G HA2 0.052 4.012 3.960 -0.000 0.000 0.265 166 G HA3 0.052 4.012 3.960 -0.000 0.000 0.265 166 G C 1.075 176.006 174.900 0.051 0.000 1.234 166 G CA 0.808 45.943 45.100 0.058 0.000 0.944 166 G HN 1.999 nan 8.290 nan 0.000 0.568 167 A N -1.799 121.043 122.820 0.036 0.000 1.978 167 A HA 0.090 4.409 4.320 -0.000 0.000 0.220 167 A C 2.600 180.206 177.584 0.036 0.000 1.170 167 A CA 3.180 55.234 52.037 0.027 0.000 0.636 167 A CB -1.008 18.000 19.000 0.014 0.000 0.810 167 A HN 1.364 nan 8.150 nan 0.000 0.448 168 T N 0.056 114.639 114.554 0.047 0.000 2.708 168 T HA -0.098 4.252 4.350 -0.000 0.000 0.266 168 T C 1.841 176.616 174.700 0.124 0.000 1.037 168 T CA 1.284 63.425 62.100 0.069 0.000 1.146 168 T CB -0.319 68.592 68.868 0.072 0.000 0.865 168 T HN 0.375 nan 8.240 nan 0.000 0.435 169 L N 0.884 122.179 121.223 0.121 0.000 2.027 169 L HA -0.191 4.149 4.340 -0.000 0.000 0.206 169 L C 3.366 180.281 176.870 0.076 0.000 1.074 169 L CA 2.088 57.001 54.840 0.120 0.000 0.745 169 L CB -1.061 41.069 42.059 0.117 0.000 0.898 169 L HN 0.420 nan 8.230 nan 0.000 0.433 170 Q N -0.751 119.076 119.800 0.046 0.000 2.077 170 Q HA -0.285 4.055 4.340 -0.000 0.000 0.206 170 Q C 1.962 177.967 176.000 0.009 0.000 0.989 170 Q CA 2.800 58.605 55.803 0.004 0.000 0.853 170 Q CB -1.881 26.858 28.738 0.002 0.000 0.907 170 Q HN 0.601 nan 8.270 nan 0.000 0.418 171 T N 0.316 114.891 114.554 0.034 0.000 2.699 171 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 171 T C 2.055 176.790 174.700 0.059 0.000 1.036 171 T CA 1.717 63.843 62.100 0.042 0.000 1.147 171 T CB -0.491 68.407 68.868 0.050 0.000 0.862 171 T HN 0.402 nan 8.240 nan 0.000 0.446 172 V N 1.585 121.552 119.914 0.087 0.000 2.295 172 V HA -0.107 4.012 4.120 -0.000 0.000 0.246 172 V C 2.477 178.605 176.094 0.057 0.000 1.049 172 V CA 1.496 63.856 62.300 0.100 0.000 1.024 172 V CB -0.731 31.172 31.823 0.132 0.000 0.648 172 V HN 0.463 nan 8.190 nan 0.000 0.447 173 L N -0.318 120.918 121.223 0.023 0.000 2.265 173 L HA -0.168 4.172 4.340 -0.000 0.000 0.215 173 L C 2.341 179.179 176.870 -0.053 0.000 1.117 173 L CA 1.452 56.273 54.840 -0.032 0.000 0.782 173 L CB -0.622 41.361 42.059 -0.126 0.000 0.914 173 L HN 0.419 nan 8.230 nan 0.000 0.441 174 E N 0.112 120.291 120.200 -0.034 0.000 2.385 174 E HA -0.060 4.290 4.350 -0.000 0.000 0.194 174 E C 0.604 177.193 176.600 -0.018 0.000 1.013 174 E CA -0.104 56.276 56.400 -0.034 0.000 0.866 174 E CB 0.071 29.757 29.700 -0.024 0.000 0.832 174 E HN 0.570 nan 8.360 nan 0.000 0.500 175 N N 0.853 119.556 118.700 0.005 0.000 2.515 175 N HA 0.040 4.780 4.740 -0.000 0.000 0.279 175 N C -1.681 173.804 175.510 -0.041 0.000 1.164 175 N CA -1.272 51.787 53.050 0.014 0.000 0.982 175 N CB 1.096 39.634 38.487 0.085 0.000 1.170 175 N HN -0.327 nan 8.380 nan 0.000 0.474 176 P HA -0.113 nan 4.420 nan 0.000 0.221 176 P C -0.601 176.477 177.300 -0.369 0.000 1.150 176 P CA 1.208 64.109 63.100 -0.331 0.000 0.800 176 P CB -0.090 31.264 31.700 -0.576 0.000 0.787 177 Y N 1.227 121.542 120.300 0.025 0.000 2.477 177 Y HA 0.228 4.778 4.550 -0.000 0.000 0.349 177 Y C 1.049 176.970 175.900 0.034 0.000 0.977 177 Y CA -0.697 57.421 58.100 0.029 0.000 1.214 177 Y CB 0.440 38.917 38.460 0.029 0.000 1.124 177 Y HN -0.280 nan 8.280 nan 0.000 0.521 178 K N 5.460 125.944 120.400 0.140 0.000 2.130 178 K HA 0.379 4.699 4.320 -0.000 0.000 0.268 178 K C -2.623 174.039 176.600 0.103 0.000 0.983 178 K CA -2.196 54.151 56.287 0.100 0.000 0.893 178 K CB 1.001 33.542 32.500 0.069 0.000 1.066 178 K HN 0.339 nan 8.250 nan 0.000 0.450 179 P HA 0.095 nan 4.420 nan 0.000 0.272 179 P C 0.196 177.551 177.300 0.093 0.000 1.230 179 P CA -0.124 63.022 63.100 0.077 0.000 0.788 179 P CB 0.577 32.313 31.700 0.061 0.000 0.949 180 T N -0.465 114.144 114.554 0.093 0.000 2.942 180 T HA 0.080 4.430 4.350 -0.000 0.000 0.265 180 T C 0.800 175.602 174.700 0.171 0.000 1.062 180 T CA 0.827 63.002 62.100 0.126 0.000 1.139 180 T CB 0.012 68.950 68.868 0.116 0.000 0.883 180 T HN 0.240 nan 8.240 nan 0.000 0.468 181 V N 2.375 122.363 119.914 0.123 0.000 2.760 181 V HA 0.573 4.693 4.120 -0.000 0.000 0.309 181 V C -0.736 175.411 176.094 0.088 0.000 1.077 181 V CA -1.450 60.927 62.300 0.128 0.000 0.910 181 V CB 2.039 33.879 31.823 0.028 0.000 1.008 181 V HN 0.398 nan 8.190 nan 0.000 0.424 182 I N 0.711 121.345 120.570 0.108 0.000 2.474 182 I HA 0.731 4.901 4.170 -0.000 0.000 0.294 182 I C -0.392 175.763 176.117 0.063 0.000 1.005 182 I CA -0.524 60.828 61.300 0.087 0.000 1.113 182 I CB 1.961 40.040 38.000 0.130 0.000 1.289 182 I HN 0.375 nan 8.210 nan 0.000 0.436 183 K N 6.639 127.065 120.400 0.043 0.000 2.800 183 K HA 0.493 4.813 4.320 -0.000 0.000 0.185 183 K C -2.746 173.876 176.600 0.037 0.000 1.082 183 K CA -1.854 54.449 56.287 0.027 0.000 0.978 183 K CB 0.820 33.320 32.500 -0.001 0.000 1.364 183 K HN 0.500 nan 8.250 nan 0.000 0.592 184 P HA 0.112 nan 4.420 nan 0.000 0.277 184 P C -0.400 176.923 177.300 0.039 0.000 1.240 184 P CA -0.394 62.735 63.100 0.047 0.000 0.798 184 P CB 0.638 32.367 31.700 0.048 0.000 0.979 185 N N 1.304 120.031 118.700 0.045 0.000 2.413 185 N HA 0.086 4.826 4.740 -0.000 0.000 0.266 185 N C 1.109 176.649 175.510 0.050 0.000 1.238 185 N CA -0.577 52.501 53.050 0.047 0.000 0.972 185 N CB -0.044 38.472 38.487 0.048 0.000 1.210 185 N HN 0.367 nan 8.380 nan 0.000 0.547 186 I N -0.467 120.143 120.570 0.066 0.000 2.286 186 I HA -0.260 3.910 4.170 -0.000 0.000 0.248 186 I C 1.454 177.663 176.117 0.153 0.000 1.115 186 I CA 1.182 62.540 61.300 0.097 0.000 1.392 186 I CB -0.148 37.930 38.000 0.131 0.000 1.065 186 I HN 0.588 nan 8.210 nan 0.000 0.418 187 S N 0.579 116.353 115.700 0.123 0.000 2.359 187 S HA -0.248 4.221 4.470 -0.000 0.000 0.224 187 S C 1.753 176.425 174.600 0.119 0.000 1.035 187 S CA 1.792 60.066 58.200 0.125 0.000 1.018 187 S CB -0.347 62.904 63.200 0.084 0.000 0.876 187 S HN 0.545 nan 8.310 nan 0.000 0.448 188 E N 0.515 120.767 120.200 0.088 0.000 2.106 188 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 188 E C 2.086 178.733 176.600 0.079 0.000 0.984 188 E CA 0.749 57.198 56.400 0.082 0.000 0.806 188 E CB -0.217 29.528 29.700 0.074 0.000 0.750 188 E HN 0.256 nan 8.360 nan 0.000 0.458 189 L N 0.093 121.333 121.223 0.028 0.000 1.989 189 L HA -0.217 4.123 4.340 -0.000 0.000 0.211 189 L C 1.944 178.772 176.870 -0.069 0.000 1.071 189 L CA 1.841 56.644 54.840 -0.063 0.000 0.749 189 L CB -0.564 41.335 42.059 -0.267 0.000 0.890 189 L HN 0.142 nan 8.230 nan 0.000 0.431 190 Y N -0.547 119.796 120.300 0.073 0.000 2.263 190 Y HA -0.186 4.364 4.550 -0.000 0.000 0.292 190 Y C 2.709 178.647 175.900 0.063 0.000 1.130 190 Y CA 1.359 59.496 58.100 0.062 0.000 1.179 190 Y CB -0.231 38.247 38.460 0.030 0.000 0.998 190 Y HN 0.318 nan 8.280 nan 0.000 0.532 191 Q N -0.253 119.665 119.800 0.196 0.000 2.135 191 Q HA -0.232 4.108 4.340 -0.000 0.000 0.204 191 Q C 2.203 178.268 176.000 0.108 0.000 0.981 191 Q CA 1.657 57.537 55.803 0.129 0.000 0.856 191 Q CB -0.332 28.467 28.738 0.100 0.000 0.902 191 Q HN 0.447 nan 8.270 nan 0.000 0.425 192 L N 0.007 121.297 121.223 0.112 0.000 2.093 192 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 192 L C 1.530 178.453 176.870 0.089 0.000 1.085 192 L CA 1.394 56.291 54.840 0.096 0.000 0.755 192 L CB -0.032 42.102 42.059 0.125 0.000 0.904 192 L HN 0.157 nan 8.230 nan 0.000 0.435 193 L N -0.006 121.292 121.223 0.126 0.000 2.558 193 L HA 0.117 4.456 4.340 -0.000 0.000 0.225 193 L C 0.973 177.911 176.870 0.113 0.000 1.128 193 L CA 0.397 55.313 54.840 0.126 0.000 0.868 193 L CB -1.174 40.990 42.059 0.175 0.000 1.006 193 L HN 0.399 nan 8.230 nan 0.000 0.454 194 N N 0.409 119.173 118.700 0.107 0.000 2.747 194 N HA -0.221 4.519 4.740 -0.000 0.000 0.249 194 N C 0.084 175.649 175.510 0.090 0.000 1.107 194 N CA 0.545 53.645 53.050 0.084 0.000 0.707 194 N CB -0.513 38.007 38.487 0.055 0.000 1.054 194 N HN 0.543 nan 8.380 nan 0.000 0.555 195 Q N 0.149 120.033 119.800 0.141 0.000 2.348 195 Q HA 0.517 4.857 4.340 -0.000 0.000 0.271 195 Q C -2.323 173.702 176.000 0.042 0.000 1.067 195 Q CA -1.562 54.312 55.803 0.119 0.000 0.839 195 Q CB 1.869 30.744 28.738 0.228 0.000 1.354 195 Q HN 0.058 nan 8.270 nan 0.000 0.447 196 P HA 0.063 nan 4.420 nan 0.000 0.275 196 P C -0.622 176.410 177.300 -0.446 0.000 1.227 196 P CA -0.327 62.675 63.100 -0.163 0.000 0.781 196 P CB 0.719 32.342 31.700 -0.129 0.000 0.906 197 L N 2.528 123.517 121.223 -0.390 0.000 2.559 197 L HA 0.049 4.389 4.340 -0.000 0.000 0.282 197 L C 0.307 176.822 176.870 -0.590 0.000 1.232 197 L CA 1.139 55.640 54.840 -0.564 0.000 0.885 197 L CB -0.046 41.914 42.059 -0.164 0.000 1.131 197 L HN 0.414 nan 8.230 nan 0.000 0.498 198 D N 3.637 123.586 120.400 -0.753 0.000 2.764 198 D HA 0.127 4.767 4.640 -0.000 0.000 0.227 198 D C -0.055 176.174 176.300 -0.117 0.000 1.347 198 D CA -0.336 53.444 54.000 -0.367 0.000 0.953 198 D CB 1.368 41.946 40.800 -0.370 0.000 1.476 198 D HN 0.591 nan 8.370 nan 0.000 0.585 199 E N 0.692 120.845 120.200 -0.080 0.000 2.442 199 E HA 0.028 4.378 4.350 -0.000 0.000 0.195 199 E C 0.648 177.199 176.600 -0.080 0.000 1.030 199 E CA 0.040 56.413 56.400 -0.045 0.000 0.869 199 E CB 0.383 30.064 29.700 -0.033 0.000 0.857 199 E HN 0.478 nan 8.360 nan 0.000 0.505 200 S N 0.827 116.473 115.700 -0.090 0.000 2.568 200 S HA 0.036 4.506 4.470 -0.000 0.000 0.282 200 S C 1.362 175.860 174.600 -0.171 0.000 1.338 200 S CA -0.591 57.548 58.200 -0.103 0.000 1.045 200 S CB 0.984 64.133 63.200 -0.084 0.000 0.873 200 S HN 0.011 nan 8.310 nan 0.000 0.516 201 L N 1.660 122.785 121.223 -0.163 0.000 2.079 201 L HA -0.094 4.246 4.340 -0.000 0.000 0.210 201 L C 2.503 179.210 176.870 -0.271 0.000 1.081 201 L CA 1.915 56.617 54.840 -0.229 0.000 0.752 201 L CB -1.950 40.053 42.059 -0.093 0.000 0.896 201 L HN 0.752 nan 8.230 nan 0.000 0.433 202 E N -0.959 119.136 120.200 -0.175 0.000 2.072 202 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 202 E C 2.450 178.967 176.600 -0.139 0.000 0.985 202 E CA 1.288 57.599 56.400 -0.148 0.000 0.801 202 E CB -0.295 29.351 29.700 -0.090 0.000 0.750 202 E HN 0.229 nan 8.360 nan 0.000 0.452 203 S N -0.349 115.282 115.700 -0.116 0.000 2.387 203 S HA -0.020 4.450 4.470 -0.000 0.000 0.226 203 S C 1.794 176.357 174.600 -0.062 0.000 1.026 203 S CA 0.593 58.767 58.200 -0.044 0.000 0.972 203 S CB -0.152 63.044 63.200 -0.005 0.000 0.814 203 S HN 0.150 nan 8.310 nan 0.000 0.477 204 L N 0.835 121.909 121.223 -0.248 0.000 2.093 204 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 204 L C 2.627 179.263 176.870 -0.390 0.000 1.085 204 L CA 1.227 55.770 54.840 -0.494 0.000 0.755 204 L CB -0.360 41.005 42.059 -1.157 0.000 0.904 204 L HN 0.266 nan 8.230 nan 0.000 0.435 205 K N -0.280 119.898 120.400 -0.369 0.000 2.026 205 K HA -0.252 4.068 4.320 -0.000 0.000 0.208 205 K C 2.499 179.080 176.600 -0.031 0.000 1.048 205 K CA 1.979 58.110 56.287 -0.260 0.000 0.929 205 K CB -0.324 31.860 32.500 -0.527 0.000 0.713 205 K HN 0.378 nan 8.250 nan 0.000 0.439 206 Q N 0.665 120.442 119.800 -0.038 0.000 2.124 206 Q HA -0.062 4.278 4.340 -0.000 0.000 0.202 206 Q C 2.104 178.152 176.000 0.079 0.000 0.977 206 Q CA 1.768 57.594 55.803 0.038 0.000 0.850 206 Q CB -0.809 27.946 28.738 0.029 0.000 0.901 206 Q HN 0.490 nan 8.270 nan 0.000 0.429 207 A N 0.009 122.853 122.820 0.040 0.000 1.855 207 A HA 0.011 4.331 4.320 -0.000 0.000 0.215 207 A C 2.523 180.122 177.584 0.026 0.000 1.191 207 A CA 1.738 53.796 52.037 0.034 0.000 0.613 207 A CB -0.515 18.403 19.000 -0.137 0.000 0.829 207 A HN 0.601 nan 8.150 nan 0.000 0.442 208 V N 0.192 120.070 119.914 -0.061 0.000 2.759 208 V HA -0.128 3.991 4.120 -0.000 0.000 0.256 208 V C 2.237 178.381 176.094 0.082 0.000 1.080 208 V CA 2.023 64.227 62.300 -0.160 0.000 1.101 208 V CB -0.353 31.520 31.823 0.084 0.000 0.698 208 V HN 0.518 nan 8.190 nan 0.000 0.477 209 S N -1.341 114.478 115.700 0.199 0.000 2.593 209 S HA 0.044 4.513 4.470 -0.000 0.000 0.217 209 S C 0.892 175.614 174.600 0.203 0.000 0.966 209 S CA -0.014 58.313 58.200 0.212 0.000 0.914 209 S CB -0.158 63.194 63.200 0.253 0.000 0.776 209 S HN 0.688 nan 8.310 nan 0.000 0.523 210 Q N 1.682 121.642 119.800 0.267 0.000 2.364 210 Q HA 0.077 4.417 4.340 -0.000 0.000 0.267 210 Q C -1.886 174.222 176.000 0.180 0.000 0.999 210 Q CA -1.767 54.170 55.803 0.223 0.000 0.886 210 Q CB 0.711 29.600 28.738 0.250 0.000 1.243 210 Q HN -0.007 nan 8.270 nan 0.000 0.415 211 P HA -0.229 nan 4.420 nan 0.000 0.218 211 P C 0.977 178.255 177.300 -0.038 0.000 1.147 211 P CA 0.822 63.939 63.100 0.029 0.000 0.827 211 P CB 0.081 31.787 31.700 0.010 0.000 0.778 212 L N -1.676 119.465 121.223 -0.137 0.000 2.129 212 L HA -0.124 4.216 4.340 -0.000 0.000 0.212 212 L C 1.610 178.209 176.870 -0.451 0.000 1.087 212 L CA 1.862 56.470 54.840 -0.387 0.000 0.757 212 L CB -1.161 40.489 42.059 -0.680 0.000 0.896 212 L HN -0.072 nan 8.230 nan 0.000 0.434 213 F N -0.675 119.285 119.950 0.016 0.000 2.664 213 F HA 0.206 4.733 4.527 -0.000 0.000 0.303 213 F C 0.831 176.630 175.800 -0.001 0.000 1.092 213 F CA -0.856 57.153 58.000 0.015 0.000 1.305 213 F CB -0.328 38.687 39.000 0.024 0.000 1.054 213 F HN 0.104 nan 8.300 nan 0.000 0.565 214 E N -0.140 120.123 120.200 0.105 0.000 2.392 214 E HA 0.440 4.790 4.350 -0.000 0.000 0.264 214 E C 1.251 177.871 176.600 0.032 0.000 1.024 214 E CA 0.415 56.846 56.400 0.052 0.000 0.903 214 E CB 0.566 30.282 29.700 0.027 0.000 0.963 214 E HN 0.262 nan 8.360 nan 0.000 0.432 215 G N 2.190 110.998 108.800 0.012 0.000 2.194 215 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.236 215 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.236 215 G C 0.091 175.008 174.900 0.028 0.000 0.987 215 G CA -0.025 45.082 45.100 0.012 0.000 0.635 215 G HN 0.523 nan 8.290 nan 0.000 0.520 216 I N 1.426 122.022 120.570 0.044 0.000 2.304 216 I HA 0.283 4.453 4.170 -0.000 0.000 0.291 216 I C 1.439 177.578 176.117 0.037 0.000 1.018 216 I CA -0.384 60.959 61.300 0.072 0.000 1.260 216 I CB 1.520 39.595 38.000 0.126 0.000 1.390 216 I HN 0.274 nan 8.210 nan 0.000 0.475 217 E N 5.383 125.617 120.200 0.058 0.000 2.031 217 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 217 E C -0.313 176.275 176.600 -0.021 0.000 0.994 217 E CA 1.421 57.835 56.400 0.024 0.000 0.800 217 E CB 0.294 30.060 29.700 0.110 0.000 0.752 217 E HN 0.551 nan 8.360 nan 0.000 0.447 218 W N 0.229 121.557 121.300 0.046 0.000 2.417 218 W HA 0.468 5.128 4.660 -0.000 0.000 0.315 218 W C -0.959 175.552 176.519 -0.014 0.000 1.045 218 W CA -0.575 56.769 57.345 -0.003 0.000 1.221 218 W CB 1.131 30.547 29.460 -0.074 0.000 1.309 218 W HN -0.051 nan 8.180 nan 0.000 0.453 219 I N 5.926 126.627 120.570 0.219 0.000 2.420 219 I HA 0.330 4.500 4.170 -0.000 0.000 0.282 219 I C -0.516 175.684 176.117 0.139 0.000 1.019 219 I CA -0.627 60.741 61.300 0.113 0.000 1.130 219 I CB 0.740 38.723 38.000 -0.027 0.000 1.262 219 I HN 0.203 nan 8.210 nan 0.000 0.454 220 I N 7.071 127.716 120.570 0.125 0.000 2.359 220 I HA 0.275 4.445 4.170 -0.000 0.000 0.284 220 I C -0.365 175.794 176.117 0.071 0.000 1.018 220 I CA -0.764 60.596 61.300 0.099 0.000 1.173 220 I CB 1.498 39.518 38.000 0.033 0.000 1.326 220 I HN 0.180 nan 8.210 nan 0.000 0.462 221 V N 5.679 125.662 119.914 0.114 0.000 2.353 221 V HA 0.169 4.289 4.120 -0.000 0.000 0.264 221 V C 0.663 176.821 176.094 0.106 0.000 1.049 221 V CA -0.471 61.895 62.300 0.111 0.000 0.896 221 V CB 0.870 32.791 31.823 0.163 0.000 1.025 221 V HN 0.858 nan 8.190 nan 0.000 0.475 222 S N 5.675 121.412 115.700 0.063 0.000 2.580 222 S HA 0.576 5.046 4.470 -0.000 0.000 0.274 222 S C 0.055 174.690 174.600 0.058 0.000 1.329 222 S CA -0.591 57.639 58.200 0.050 0.000 1.036 222 S CB 0.996 64.212 63.200 0.027 0.000 0.919 222 S HN 0.542 nan 8.310 nan 0.000 0.515 223 L N 2.021 123.276 121.223 0.052 0.000 3.267 223 L HA 0.407 4.747 4.340 -0.000 0.000 0.289 223 L C 1.449 178.340 176.870 0.034 0.000 1.260 223 L CA -0.123 54.748 54.840 0.051 0.000 1.034 223 L CB -0.687 41.408 42.059 0.061 0.000 1.413 223 L HN 1.163 nan 8.230 nan 0.000 0.594 224 G N 1.614 110.430 108.800 0.027 0.000 2.622 224 G HA2 -0.453 3.506 3.960 -0.000 0.000 0.307 224 G HA3 -0.453 3.506 3.960 -0.000 0.000 0.307 224 G C 1.001 175.908 174.900 0.012 0.000 1.226 224 G CA 0.669 45.781 45.100 0.019 0.000 0.997 224 G HN 0.377 nan 8.290 nan 0.000 0.551 225 A N -1.227 121.599 122.820 0.009 0.000 2.121 225 A HA 0.118 4.438 4.320 -0.000 0.000 0.218 225 A C 2.149 179.735 177.584 0.004 0.000 1.154 225 A CA 2.317 54.356 52.037 0.004 0.000 0.679 225 A CB -0.223 18.779 19.000 0.003 0.000 0.795 225 A HN 0.558 nan 8.150 nan 0.000 0.458 226 Q N -1.053 118.753 119.800 0.011 0.000 2.403 226 Q HA 0.246 4.586 4.340 -0.000 0.000 0.203 226 Q C 1.291 177.304 176.000 0.020 0.000 0.932 226 Q CA 0.730 56.542 55.803 0.016 0.000 0.945 226 Q CB 0.124 28.875 28.738 0.021 0.000 1.045 226 Q HN 0.794 nan 8.270 nan 0.000 0.511 227 G N 0.891 109.699 108.800 0.014 0.000 2.603 227 G HA2 -0.116 3.843 3.960 -0.000 0.000 0.245 227 G HA3 -0.116 3.843 3.960 -0.000 0.000 0.245 227 G C -0.623 174.294 174.900 0.028 0.000 1.195 227 G CA -0.133 44.971 45.100 0.007 0.000 0.953 227 G HN 0.671 nan 8.290 nan 0.000 0.566 228 A N -1.159 121.692 122.820 0.050 0.000 2.606 228 A HA 0.839 5.159 4.320 -0.000 0.000 0.293 228 A C -1.407 176.285 177.584 0.180 0.000 1.082 228 A CA 0.401 52.491 52.037 0.088 0.000 0.685 228 A CB 1.665 20.683 19.000 0.031 0.000 1.284 228 A HN 2.167 nan 8.150 nan 0.000 0.408 229 F N 0.913 120.895 119.950 0.053 0.000 2.540 229 F HA 0.780 5.307 4.527 -0.000 0.000 0.317 229 F C -0.141 175.742 175.800 0.138 0.000 1.104 229 F CA -0.098 57.958 58.000 0.092 0.000 0.913 229 F CB 1.894 40.930 39.000 0.060 0.000 1.170 229 F HN 1.031 nan 8.300 nan 0.000 0.450 230 A N 5.883 128.403 122.820 -0.501 0.000 2.422 230 A HA 0.595 4.915 4.320 -0.000 0.000 0.302 230 A C -1.641 175.770 177.584 -0.289 0.000 1.041 230 A CA -0.887 51.051 52.037 -0.166 0.000 0.708 230 A CB 1.583 20.723 19.000 0.232 0.000 1.257 230 A HN 0.746 nan 8.150 nan 0.000 0.414 231 K N 1.948 122.253 120.400 -0.158 0.000 2.367 231 K HA 0.316 4.636 4.320 -0.000 0.000 0.263 231 K C -1.140 175.286 176.600 -0.291 0.000 1.000 231 K CA -0.314 55.788 56.287 -0.309 0.000 0.891 231 K CB 0.543 32.863 32.500 -0.301 0.000 1.117 231 K HN 0.951 nan 8.250 nan 0.000 0.443 232 H N 6.155 124.857 119.070 -0.613 0.000 2.623 232 H HA 0.134 4.690 4.556 -0.000 0.000 0.299 232 H C -0.030 174.915 175.328 -0.638 0.000 1.052 232 H CA -0.348 55.138 56.048 -0.936 0.000 1.231 232 H CB 0.409 29.306 29.762 -1.441 0.000 1.389 232 H HN 0.878 nan 8.280 nan 0.000 0.469 233 N N 3.310 121.685 118.700 -0.541 0.000 2.869 233 N HA -0.330 4.410 4.740 -0.000 0.000 0.185 233 N C 0.293 175.378 175.510 -0.707 0.000 0.446 233 N CA 2.339 55.063 53.050 -0.543 0.000 1.773 233 N CB -0.934 37.275 38.487 -0.464 0.000 1.411 233 N HN 0.777 nan 8.380 nan 0.000 0.389 234 H N -0.081 118.725 119.070 -0.439 0.000 3.058 234 H HA 0.380 4.936 4.556 -0.000 0.000 0.266 234 H C -0.408 174.550 175.328 -0.616 0.000 1.135 234 H CA 0.320 56.094 56.048 -0.456 0.000 1.174 234 H CB 0.753 30.353 29.762 -0.270 0.000 1.581 234 H HN 0.158 nan 8.280 nan 0.000 0.553 235 T N 1.243 115.462 114.554 -0.558 0.000 2.799 235 T HA 0.309 4.659 4.350 -0.000 0.000 0.286 235 T C -0.411 173.793 174.700 -0.827 0.000 0.973 235 T CA -0.324 61.418 62.100 -0.597 0.000 1.035 235 T CB 0.590 69.148 68.868 -0.516 0.000 0.932 235 T HN 0.034 nan 8.240 nan 0.000 0.469 236 F N 2.456 122.116 119.950 -0.483 0.000 2.436 236 F HA 0.532 5.059 4.527 -0.000 0.000 0.340 236 F C -0.257 175.185 175.800 -0.597 0.000 1.113 236 F CA -0.948 56.762 58.000 -0.484 0.000 1.022 236 F CB 1.119 39.989 39.000 -0.216 0.000 1.128 236 F HN 0.516 nan 8.300 nan 0.000 0.466 237 Y N 1.333 121.560 120.300 -0.122 0.000 2.446 237 Y HA 0.632 5.182 4.550 -0.000 0.000 0.345 237 Y C -0.273 175.561 175.900 -0.111 0.000 0.984 237 Y CA -1.228 56.822 58.100 -0.084 0.000 1.058 237 Y CB 1.866 40.283 38.460 -0.071 0.000 1.220 237 Y HN 0.381 nan 8.280 nan 0.000 0.455 238 R N 1.394 122.000 120.500 0.177 0.000 2.387 238 R HA 0.683 5.023 4.340 -0.000 0.000 0.314 238 R C -2.089 174.265 176.300 0.090 0.000 0.958 238 R CA -0.790 55.415 56.100 0.175 0.000 0.846 238 R CB 1.102 31.519 30.300 0.195 0.000 1.147 238 R HN 0.527 nan 8.270 nan 0.000 0.447 239 V N 5.728 125.677 119.914 0.060 0.000 2.328 239 V HA 0.425 4.545 4.120 -0.000 0.000 0.278 239 V C -0.352 175.737 176.094 -0.008 0.000 1.021 239 V CA -0.918 61.371 62.300 -0.018 0.000 0.838 239 V CB 1.150 32.937 31.823 -0.060 0.000 0.999 239 V HN 0.712 nan 8.190 nan 0.000 0.447 240 N N 5.444 124.130 118.700 -0.023 0.000 2.430 240 N HA 0.690 5.430 4.740 -0.000 0.000 0.292 240 N C -0.557 174.928 175.510 -0.042 0.000 1.051 240 N CA -0.277 52.763 53.050 -0.016 0.000 0.917 240 N CB 2.682 41.168 38.487 -0.002 0.000 1.164 240 N HN 0.800 nan 8.380 nan 0.000 0.484 241 I N -1.384 119.166 120.570 -0.033 0.000 2.828 241 I HA 0.653 4.823 4.170 -0.000 0.000 0.302 241 I C -2.429 173.671 176.117 -0.029 0.000 1.101 241 I CA -2.008 59.266 61.300 -0.045 0.000 1.031 241 I CB 2.091 40.061 38.000 -0.051 0.000 1.231 241 I HN 0.240 nan 8.210 nan 0.000 0.427 242 P HA 0.215 nan 4.420 nan 0.000 0.274 242 P C -0.525 176.767 177.300 -0.013 0.000 1.256 242 P CA -0.114 62.975 63.100 -0.018 0.000 0.795 242 P CB 0.456 32.145 31.700 -0.019 0.000 1.038 243 T N 1.411 115.961 114.554 -0.007 0.000 2.832 243 T HA 0.510 4.860 4.350 -0.000 0.000 0.296 243 T C 0.555 175.253 174.700 -0.002 0.000 0.968 243 T CA -0.259 61.839 62.100 -0.004 0.000 1.107 243 T CB -0.099 68.769 68.868 -0.001 0.000 0.916 243 T HN 0.362 nan 8.240 nan 0.000 0.517 244 I N -1.255 119.314 120.570 -0.000 0.000 2.934 244 I HA 0.650 4.820 4.170 -0.000 0.000 0.306 244 I C -0.224 175.897 176.117 0.007 0.000 1.110 244 I CA -1.209 60.093 61.300 0.003 0.000 1.019 244 I CB 2.133 40.134 38.000 0.002 0.000 1.227 244 I HN 0.336 nan 8.210 nan 0.000 0.434 245 S N 2.511 118.218 115.700 0.011 0.000 2.549 245 S HA 0.380 4.850 4.470 -0.000 0.000 0.283 245 S C -0.116 174.495 174.600 0.018 0.000 1.320 245 S CA -0.453 57.755 58.200 0.014 0.000 1.058 245 S CB 1.060 64.270 63.200 0.017 0.000 0.882 245 S HN 0.411 nan 8.310 nan 0.000 0.498 246 V N 4.353 124.278 119.914 0.018 0.000 2.680 246 V HA 0.391 4.511 4.120 -0.000 0.000 0.309 246 V C 0.336 176.445 176.094 0.026 0.000 1.052 246 V CA -0.527 61.786 62.300 0.022 0.000 0.908 246 V CB 1.839 33.672 31.823 0.017 0.000 1.001 246 V HN 0.894 nan 8.190 nan 0.000 0.431 247 L N 2.326 123.569 121.223 0.034 0.000 2.600 247 L HA 0.439 4.779 4.340 -0.000 0.000 0.213 247 L C 0.320 177.214 176.870 0.039 0.000 1.045 247 L CA 0.387 55.249 54.840 0.037 0.000 0.863 247 L CB 0.504 42.587 42.059 0.042 0.000 1.189 247 L HN 0.701 nan 8.230 nan 0.000 0.484 248 N N -0.233 118.492 118.700 0.042 0.000 2.793 248 N HA 0.173 4.913 4.740 -0.000 0.000 0.251 248 N C -2.532 173.004 175.510 0.043 0.000 1.308 248 N CA -1.092 51.984 53.050 0.043 0.000 0.781 248 N CB 1.395 39.908 38.487 0.044 0.000 1.439 248 N HN -0.234 nan 8.380 nan 0.000 0.562 249 P HA 0.064 nan 4.420 nan 0.000 0.245 249 P C -0.070 177.251 177.300 0.036 0.000 1.212 249 P CA 0.157 63.277 63.100 0.033 0.000 0.774 249 P CB 0.271 31.986 31.700 0.026 0.000 0.999 250 V N 0.749 120.686 119.914 0.039 0.000 2.673 250 V HA 0.272 4.392 4.120 -0.000 0.000 0.303 250 V C 1.808 177.928 176.094 0.043 0.000 1.046 250 V CA 1.532 63.855 62.300 0.039 0.000 1.126 250 V CB -0.517 31.328 31.823 0.036 0.000 0.934 250 V HN 0.512 nan 8.190 nan 0.000 0.487 251 G N 3.870 112.695 108.800 0.042 0.000 2.179 251 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.260 251 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.260 251 G C 1.089 176.013 174.900 0.040 0.000 0.977 251 G CA 0.623 45.750 45.100 0.044 0.000 0.641 251 G HN 0.702 nan 8.290 nan 0.000 0.533 252 S N 0.030 115.751 115.700 0.034 0.000 2.368 252 S HA 0.025 4.494 4.470 -0.000 0.000 0.225 252 S C 2.607 177.218 174.600 0.018 0.000 1.030 252 S CA 1.969 60.185 58.200 0.026 0.000 0.999 252 S CB -0.524 62.690 63.200 0.023 0.000 0.844 252 S HN 1.232 nan 8.310 nan 0.000 0.459 253 G N 1.964 110.776 108.800 0.020 0.000 2.421 253 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.216 253 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.216 253 G C 1.028 175.935 174.900 0.012 0.000 1.171 253 G CA 1.108 46.218 45.100 0.015 0.000 0.775 253 G HN 0.420 nan 8.290 nan 0.000 0.543 254 D N 0.842 121.255 120.400 0.021 0.000 2.117 254 D HA -0.076 4.564 4.640 -0.000 0.000 0.197 254 D C 2.837 179.145 176.300 0.013 0.000 0.987 254 D CA 1.279 55.292 54.000 0.021 0.000 0.829 254 D CB -0.424 40.397 40.800 0.035 0.000 0.961 254 D HN 0.262 nan 8.370 nan 0.000 0.460 255 S N 0.187 115.897 115.700 0.017 0.000 2.368 255 S HA -0.127 4.343 4.470 -0.000 0.000 0.225 255 S C 2.130 176.729 174.600 -0.002 0.000 1.030 255 S CA 1.350 59.557 58.200 0.012 0.000 0.999 255 S CB -0.419 62.793 63.200 0.019 0.000 0.844 255 S HN 0.310 nan 8.310 nan 0.000 0.459 256 T N 2.043 116.590 114.554 -0.010 0.000 2.720 256 T HA -0.066 4.284 4.350 -0.000 0.000 0.268 256 T C 1.910 176.578 174.700 -0.052 0.000 1.037 256 T CA 1.235 63.315 62.100 -0.033 0.000 1.144 256 T CB -0.412 68.436 68.868 -0.033 0.000 0.864 256 T HN 0.195 nan 8.240 nan 0.000 0.444 257 V N 1.531 121.421 119.914 -0.040 0.000 2.427 257 V HA -0.140 3.980 4.120 -0.000 0.000 0.248 257 V C 2.823 178.884 176.094 -0.055 0.000 1.051 257 V CA 1.538 63.808 62.300 -0.051 0.000 1.048 257 V CB -1.135 30.671 31.823 -0.029 0.000 0.666 257 V HN 0.525 nan 8.190 nan 0.000 0.456 258 A N 0.559 123.358 122.820 -0.035 0.000 1.877 258 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 258 A C 2.444 180.000 177.584 -0.047 0.000 1.186 258 A CA 1.941 53.957 52.037 -0.035 0.000 0.620 258 A CB -1.298 17.691 19.000 -0.017 0.000 0.822 258 A HN 0.507 nan 8.150 nan 0.000 0.443 259 G N 0.322 109.100 108.800 -0.038 0.000 2.514 259 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.217 259 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.217 259 G C 1.527 176.369 174.900 -0.095 0.000 1.198 259 G CA 1.329 46.407 45.100 -0.037 0.000 0.780 259 G HN 0.487 nan 8.290 nan 0.000 0.565 260 I N 0.830 121.313 120.570 -0.144 0.000 2.151 260 I HA -0.209 3.961 4.170 -0.000 0.000 0.243 260 I C 3.039 179.037 176.117 -0.199 0.000 1.080 260 I CA 1.774 62.935 61.300 -0.231 0.000 1.339 260 I CB -0.634 37.207 38.000 -0.264 0.000 1.039 260 I HN 0.133 nan 8.210 nan 0.000 0.409 261 T N -0.586 113.882 114.554 -0.142 0.000 2.777 261 T HA -0.193 4.156 4.350 -0.000 0.000 0.266 261 T C 2.084 176.707 174.700 -0.129 0.000 1.040 261 T CA 1.650 63.674 62.100 -0.126 0.000 1.141 261 T CB -0.326 68.486 68.868 -0.093 0.000 0.868 261 T HN 0.363 nan 8.240 nan 0.000 0.444 262 S N 1.321 116.956 115.700 -0.108 0.000 2.353 262 S HA -0.144 4.326 4.470 -0.000 0.000 0.222 262 S C 2.434 176.970 174.600 -0.106 0.000 1.035 262 S CA 1.505 59.646 58.200 -0.098 0.000 1.025 262 S CB -0.668 62.491 63.200 -0.069 0.000 0.902 262 S HN 0.526 nan 8.310 nan 0.000 0.440 263 A N 1.949 124.702 122.820 -0.110 0.000 1.908 263 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 263 A C 2.178 179.679 177.584 -0.139 0.000 1.181 263 A CA 1.636 53.607 52.037 -0.111 0.000 0.627 263 A CB -0.772 18.142 19.000 -0.143 0.000 0.818 263 A HN 0.593 nan 8.150 nan 0.000 0.445 264 I N -0.285 120.180 120.570 -0.175 0.000 2.179 264 I HA -0.224 3.946 4.170 -0.000 0.000 0.242 264 I C 2.515 178.473 176.117 -0.264 0.000 1.088 264 I CA 1.184 62.381 61.300 -0.172 0.000 1.357 264 I CB -1.192 36.721 38.000 -0.146 0.000 1.051 264 I HN 0.358 nan 8.210 nan 0.000 0.409 265 L N 0.813 121.886 121.223 -0.251 0.000 2.079 265 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 265 L C 1.361 178.011 176.870 -0.367 0.000 1.081 265 L CA 1.630 56.279 54.840 -0.318 0.000 0.752 265 L CB -0.248 41.645 42.059 -0.276 0.000 0.896 265 L HN 0.400 nan 8.230 nan 0.000 0.433 266 N N -1.059 117.494 118.700 -0.244 0.000 2.238 266 N HA 0.024 4.764 4.740 -0.000 0.000 0.222 266 N C -0.474 175.016 175.510 -0.032 0.000 1.133 266 N CA -0.100 52.893 53.050 -0.094 0.000 0.854 266 N CB 0.233 38.722 38.487 0.003 0.000 1.041 266 N HN 0.321 nan 8.380 nan 0.000 0.510 267 H N 0.102 119.198 119.070 0.044 0.000 2.692 267 H HA -0.141 4.414 4.556 -0.000 0.000 0.316 267 H C -0.303 175.057 175.328 0.053 0.000 1.176 267 H CA 0.737 56.816 56.048 0.053 0.000 1.142 267 H CB -1.999 27.798 29.762 0.059 0.000 1.475 267 H HN 0.471 nan 8.280 nan 0.000 0.423 268 E N 1.229 121.483 120.200 0.090 0.000 2.373 268 E HA 0.119 4.469 4.350 -0.000 0.000 0.263 268 E C 1.025 177.690 176.600 0.108 0.000 1.073 268 E CA -0.432 56.018 56.400 0.084 0.000 0.894 268 E CB 0.658 30.384 29.700 0.043 0.000 1.008 268 E HN 0.530 nan 8.360 nan 0.000 0.420 269 N N 1.387 120.159 118.700 0.120 0.000 2.288 269 N HA -0.070 4.670 4.740 -0.000 0.000 0.237 269 N C 0.024 175.631 175.510 0.162 0.000 1.311 269 N CA -0.074 53.067 53.050 0.152 0.000 0.909 269 N CB 0.460 39.023 38.487 0.128 0.000 1.167 269 N HN 0.268 nan 8.380 nan 0.000 0.476 270 D N -1.056 119.488 120.400 0.239 0.000 2.123 270 D HA -0.147 4.493 4.640 -0.000 0.000 0.196 270 D C 1.438 177.749 176.300 0.018 0.000 0.992 270 D CA 1.637 55.787 54.000 0.249 0.000 0.833 270 D CB -0.444 40.536 40.800 0.299 0.000 0.954 270 D HN 0.613 nan 8.370 nan 0.000 0.455 271 H N 0.401 119.407 119.070 -0.107 0.000 2.326 271 H HA -0.038 4.518 4.556 -0.000 0.000 0.301 271 H C 1.571 176.841 175.328 -0.097 0.000 1.081 271 H CA 1.323 57.289 56.048 -0.137 0.000 1.334 271 H CB -0.156 29.572 29.762 -0.057 0.000 1.385 271 H HN 0.068 nan 8.280 nan 0.000 0.504 272 D N 0.117 120.594 120.400 0.129 0.000 2.144 272 D HA -0.129 4.511 4.640 -0.000 0.000 0.199 272 D C 2.376 178.714 176.300 0.064 0.000 0.984 272 D CA 0.533 54.632 54.000 0.165 0.000 0.834 272 D CB -0.473 40.443 40.800 0.192 0.000 0.955 272 D HN 0.261 nan 8.370 nan 0.000 0.465 273 L N 0.411 121.610 121.223 -0.041 0.000 1.970 273 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 273 L C 2.337 179.066 176.870 -0.236 0.000 1.071 273 L CA 1.261 55.995 54.840 -0.176 0.000 0.751 273 L CB -0.218 41.636 42.059 -0.340 0.000 0.889 273 L HN 0.005 nan 8.230 nan 0.000 0.432 274 L N -0.552 120.500 121.223 -0.284 0.000 2.141 274 L HA -0.218 4.122 4.340 -0.000 0.000 0.209 274 L C 2.621 179.336 176.870 -0.259 0.000 1.094 274 L CA 1.309 55.976 54.840 -0.289 0.000 0.763 274 L CB -0.454 41.417 42.059 -0.313 0.000 0.908 274 L HN 0.249 nan 8.230 nan 0.000 0.437 275 K N 0.147 120.367 120.400 -0.299 0.000 2.057 275 K HA -0.198 4.122 4.320 -0.000 0.000 0.206 275 K C 2.168 178.584 176.600 -0.307 0.000 1.050 275 K CA 1.176 57.169 56.287 -0.490 0.000 0.935 275 K CB -0.064 31.850 32.500 -0.977 0.000 0.715 275 K HN 0.129 nan 8.250 nan 0.000 0.439 276 K N 1.002 121.406 120.400 0.007 0.000 2.032 276 K HA -0.166 4.154 4.320 -0.000 0.000 0.209 276 K C 2.120 178.752 176.600 0.054 0.000 1.048 276 K CA 1.436 57.845 56.287 0.205 0.000 0.927 276 K CB -0.147 32.498 32.500 0.241 0.000 0.712 276 K HN 0.125 nan 8.250 nan 0.000 0.441 277 A N 1.198 123.985 122.820 -0.054 0.000 1.883 277 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 277 A C 1.774 179.314 177.584 -0.073 0.000 1.186 277 A CA 2.113 54.102 52.037 -0.080 0.000 0.624 277 A CB -0.780 18.131 19.000 -0.149 0.000 0.822 277 A HN 0.500 nan 8.150 nan 0.000 0.444 278 N N -0.867 117.766 118.700 -0.111 0.000 2.270 278 N HA -0.051 4.689 4.740 -0.000 0.000 0.181 278 N C 1.661 177.108 175.510 -0.104 0.000 1.016 278 N CA 1.621 54.608 53.050 -0.106 0.000 0.870 278 N CB -0.314 38.093 38.487 -0.132 0.000 0.979 278 N HN 0.461 nan 8.380 nan 0.000 0.431 279 T N 0.979 115.450 114.554 -0.138 0.000 2.684 279 T HA -0.072 4.277 4.350 -0.000 0.000 0.267 279 T C 1.868 176.537 174.700 -0.051 0.000 1.036 279 T CA 0.888 62.892 62.100 -0.160 0.000 1.148 279 T CB -0.353 68.293 68.868 -0.369 0.000 0.863 279 T HN 0.139 nan 8.240 nan 0.000 0.436 280 L N 0.624 121.863 121.223 0.026 0.000 2.046 280 L HA 0.088 4.428 4.340 -0.000 0.000 0.208 280 L C 2.042 178.922 176.870 0.016 0.000 1.077 280 L CA 0.557 55.432 54.840 0.057 0.000 0.747 280 L CB -1.332 40.772 42.059 0.075 0.000 0.896 280 L HN 0.297 nan 8.230 nan 0.000 0.432 284 N N 1.700 120.418 118.700 0.029 0.000 2.069 284 N HA -0.157 4.583 4.740 -0.000 0.000 0.191 284 N C 1.681 177.227 175.510 0.060 0.000 1.031 284 N CA 2.048 55.130 53.050 0.053 0.000 0.852 284 N CB 0.055 38.570 38.487 0.047 0.000 1.018 284 N HN 0.402 nan 8.380 nan 0.000 0.423 285 A N 0.076 122.920 122.820 0.041 0.000 1.978 285 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 285 A C 2.014 179.624 177.584 0.043 0.000 1.170 285 A CA 1.418 53.477 52.037 0.037 0.000 0.636 285 A CB -0.549 18.465 19.000 0.023 0.000 0.810 285 A HN 0.558 nan 8.150 nan 0.000 0.448 286 Q N -0.316 119.512 119.800 0.046 0.000 2.378 286 Q HA -0.002 4.338 4.340 -0.000 0.000 0.205 286 Q C -0.201 175.842 176.000 0.072 0.000 0.954 286 Q CA 0.365 56.199 55.803 0.050 0.000 0.901 286 Q CB 0.129 28.894 28.738 0.044 0.000 0.981 286 Q HN 0.562 nan 8.270 nan 0.000 0.483 287 E N -0.003 120.255 120.200 0.097 0.000 2.231 287 E HA 0.239 4.589 4.350 -0.000 0.000 0.277 287 E C 0.247 176.904 176.600 0.095 0.000 0.999 287 E CA -0.134 56.348 56.400 0.137 0.000 0.827 287 E CB 1.521 31.378 29.700 0.261 0.000 1.101 287 E HN 0.074 nan 8.360 nan 0.000 0.393 288 A N 3.316 126.176 122.820 0.067 0.000 2.019 288 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 288 A C 1.183 178.783 177.584 0.027 0.000 1.164 288 A CA 1.083 53.142 52.037 0.037 0.000 0.644 288 A CB -0.094 18.916 19.000 0.017 0.000 0.805 288 A HN 0.600 nan 8.150 nan 0.000 0.449 289 Q N 0.323 120.140 119.800 0.029 0.000 2.293 289 Q HA 0.283 4.623 4.340 -0.000 0.000 0.251 289 Q C -0.868 175.183 176.000 0.085 0.000 0.930 289 Q CA -0.210 55.603 55.803 0.017 0.000 0.893 289 Q CB 0.621 29.302 28.738 -0.095 0.000 1.215 289 Q HN 0.320 nan 8.270 nan 0.000 0.425 290 T N 2.416 117.007 114.554 0.063 0.000 2.794 290 T HA 0.351 4.701 4.350 -0.000 0.000 0.296 290 T C 0.284 175.049 174.700 0.109 0.000 0.949 290 T CA 0.607 62.751 62.100 0.074 0.000 1.101 290 T CB 0.605 69.499 68.868 0.043 0.000 0.905 290 T HN 0.902 nan 8.240 nan 0.000 0.516 291 G N 2.631 111.499 108.800 0.114 0.000 2.353 291 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.294 291 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.294 291 G C -0.478 174.534 174.900 0.187 0.000 1.077 291 G CA -0.025 45.146 45.100 0.118 0.000 1.098 291 G HN 0.835 nan 8.290 nan 0.000 0.511 292 Y N -0.505 119.816 120.300 0.036 0.000 2.479 292 Y HA 0.569 5.119 4.550 -0.000 0.000 0.338 292 Y C -0.294 175.629 175.900 0.039 0.000 1.055 292 Y CA -0.572 57.551 58.100 0.037 0.000 1.023 292 Y CB 2.118 40.601 38.460 0.038 0.000 1.287 292 Y HN 0.971 nan 8.280 nan 0.000 0.447 293 V N 2.630 122.154 119.914 -0.649 0.000 2.823 293 V HA 0.625 4.744 4.120 -0.000 0.000 0.312 293 V C -1.302 174.485 176.094 -0.512 0.000 1.072 293 V CA -0.901 61.165 62.300 -0.391 0.000 0.937 293 V CB 2.017 33.744 31.823 -0.161 0.000 1.013 293 V HN 0.845 nan 8.190 nan 0.000 0.430 294 N N 2.996 121.578 118.700 -0.195 0.000 2.558 294 N HA 0.412 5.152 4.740 -0.000 0.000 0.233 294 N C 0.569 176.063 175.510 -0.026 0.000 1.038 294 N CA -0.393 52.602 53.050 -0.092 0.000 0.934 294 N CB 0.910 39.408 38.487 0.018 0.000 1.175 294 N HN 0.877 nan 8.380 nan 0.000 0.512 295 L N 2.036 123.231 121.223 -0.046 0.000 2.456 295 L HA -0.038 4.302 4.340 -0.000 0.000 0.224 295 L C 1.438 178.332 176.870 0.041 0.000 1.148 295 L CA 0.351 55.193 54.840 0.003 0.000 0.825 295 L CB -0.142 41.870 42.059 -0.079 0.000 0.937 295 L HN 0.465 nan 8.230 nan 0.000 0.450 296 N N 0.545 119.261 118.700 0.026 0.000 2.364 296 N HA -0.135 4.605 4.740 -0.000 0.000 0.183 296 N C 0.944 176.489 175.510 0.059 0.000 1.022 296 N CA 0.963 54.034 53.050 0.036 0.000 0.883 296 N CB -0.159 38.345 38.487 0.028 0.000 0.965 296 N HN 0.410 nan 8.380 nan 0.000 0.438 297 N N -0.352 118.391 118.700 0.072 0.000 2.235 297 N HA -0.010 4.730 4.740 -0.000 0.000 0.209 297 N C 1.027 176.595 175.510 0.096 0.000 1.122 297 N CA -0.199 52.892 53.050 0.069 0.000 0.845 297 N CB -0.053 38.462 38.487 0.047 0.000 1.004 297 N HN 0.346 nan 8.380 nan 0.000 0.499 298 Y N 2.090 122.394 120.300 0.006 0.000 2.089 298 Y HA -0.191 4.359 4.550 -0.000 0.000 0.282 298 Y C 1.534 177.473 175.900 0.065 0.000 1.139 298 Y CA 1.778 59.894 58.100 0.026 0.000 1.123 298 Y CB 0.040 38.495 38.460 -0.009 0.000 0.980 298 Y HN -0.057 nan 8.280 nan 0.000 0.493 299 D N -0.008 120.523 120.400 0.218 0.000 2.149 299 D HA -0.202 4.438 4.640 -0.000 0.000 0.198 299 D C 1.747 178.095 176.300 0.079 0.000 0.990 299 D CA 1.758 55.829 54.000 0.119 0.000 0.839 299 D CB -0.654 40.198 40.800 0.087 0.000 0.948 299 D HN 0.516 nan 8.370 nan 0.000 0.460 300 D N 0.149 120.583 120.400 0.057 0.000 2.123 300 D HA -0.119 4.521 4.640 -0.000 0.000 0.196 300 D C 2.144 178.457 176.300 0.022 0.000 0.992 300 D CA 0.857 54.881 54.000 0.039 0.000 0.833 300 D CB -0.100 40.718 40.800 0.031 0.000 0.954 300 D HN 0.151 nan 8.370 nan 0.000 0.455 301 L N -0.893 120.325 121.223 -0.008 0.000 2.131 301 L HA 0.012 4.352 4.340 -0.000 0.000 0.206 301 L C 2.275 179.104 176.870 -0.069 0.000 1.087 301 L CA 0.390 55.201 54.840 -0.047 0.000 0.767 301 L CB -0.571 41.443 42.059 -0.074 0.000 0.917 301 L HN 0.085 nan 8.230 nan 0.000 0.441 302 F N 1.865 121.656 119.950 -0.264 0.000 2.091 302 F HA -0.270 4.257 4.527 -0.000 0.000 0.299 302 F C 2.270 177.994 175.800 -0.128 0.000 1.103 302 F CA 1.690 59.526 58.000 -0.274 0.000 1.228 302 F CB -0.114 38.657 39.000 -0.381 0.000 0.984 302 F HN 0.151 nan 8.300 nan 0.000 0.477 303 N N 0.236 119.062 118.700 0.210 0.000 2.520 303 N HA -0.122 4.618 4.740 -0.000 0.000 0.185 303 N C 1.268 176.795 175.510 0.028 0.000 1.068 303 N CA 0.920 54.057 53.050 0.144 0.000 0.911 303 N CB -0.292 38.272 38.487 0.127 0.000 0.961 303 N HN 0.577 nan 8.380 nan 0.000 0.446 304 Q N -0.322 119.466 119.800 -0.020 0.000 2.356 304 Q HA 0.250 4.590 4.340 -0.000 0.000 0.205 304 Q C 0.024 175.981 176.000 -0.072 0.000 0.901 304 Q CA -0.025 55.757 55.803 -0.035 0.000 0.938 304 Q CB 0.863 29.584 28.738 -0.027 0.000 1.081 304 Q HN 0.322 nan 8.270 nan 0.000 0.517 305 I N 1.515 122.001 120.570 -0.139 0.000 2.474 305 I HA 0.057 4.227 4.170 -0.000 0.000 0.287 305 I C 0.198 176.229 176.117 -0.143 0.000 1.048 305 I CA -0.043 61.152 61.300 -0.176 0.000 1.383 305 I CB 0.890 38.711 38.000 -0.299 0.000 1.412 305 I HN 0.025 nan 8.210 nan 0.000 0.531 306 E N 5.991 126.130 120.200 -0.101 0.000 2.145 306 E HA 0.445 4.795 4.350 -0.000 0.000 0.270 306 E C -1.576 174.971 176.600 -0.088 0.000 0.906 306 E CA -0.651 55.711 56.400 -0.063 0.000 0.761 306 E CB 1.632 31.319 29.700 -0.021 0.000 1.116 306 E HN 0.351 nan 8.360 nan 0.000 0.408 307 V N 6.591 126.435 119.914 -0.117 0.000 2.334 307 V HA 0.356 4.476 4.120 -0.000 0.000 0.281 307 V C -0.214 175.846 176.094 -0.058 0.000 1.016 307 V CA -0.597 61.574 62.300 -0.215 0.000 0.832 307 V CB 0.847 32.293 31.823 -0.628 0.000 0.999 307 V HN 0.625 nan 8.190 nan 0.000 0.439 308 L N 3.687 124.944 121.223 0.056 0.000 2.346 308 L HA 0.574 4.914 4.340 -0.000 0.000 0.276 308 L C 0.240 177.237 176.870 0.213 0.000 1.006 308 L CA -0.490 54.438 54.840 0.146 0.000 0.817 308 L CB 2.183 44.304 42.059 0.103 0.000 1.272 308 L HN 0.582 nan 8.230 nan 0.000 0.421 309 E N 1.774 122.105 120.200 0.218 0.000 2.316 309 E HA 0.383 4.733 4.350 -0.000 0.000 0.275 309 E C -1.132 175.508 176.600 0.066 0.000 1.029 309 E CA -0.266 56.190 56.400 0.094 0.000 0.871 309 E CB 1.402 31.138 29.700 0.059 0.000 1.022 309 E HN 0.313 nan 8.360 nan 0.000 0.418 310 V N 0.000 119.946 119.914 0.053 0.000 2.409 310 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 310 V CA 0.000 62.356 62.300 0.093 0.000 1.235 310 V CB 0.000 31.909 31.823 0.143 0.000 1.184 310 V HN 0.000 nan 8.190 nan 0.000 0.556