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 1lnq_1_D DATA FIRST_RESID 19 DATA SEQUENCE PATRILLLVL AVIIYGTAGF HFIEGESWTV SLYWTFVTIA TVGYGDYSPS DATA SEQUENCE TPLGMYFTVT LIVLGIGTFA VAVERLLEFL XXXXXXXXXX XXXXXXXRHV DATA SEQUENCE VICGWSESTL ECLRELRGSE VFVLAEDENV RKKVLRSGAN FVHGDPTRVS DATA SEQUENCE DLEKANVRGA RAVIVDLESD SETIHCILGI RKIDESVRII AEAERYENIE DATA SEQUENCE QLRMAGADQV ISPFVISGRL MSRSIDDGYE AMFVQDVLAE ESTRRMVEVP DATA SEQUENCE IPEGSKLEGV SVLDADIHDV TGVIIIGVGR GDELIIDPPR DYSFRAGDII DATA SEQUENCE LGIGKPEEIE RLKNYISA 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 19 P HA 0.000 nan 4.420 nan 0.000 0.216 19 P C 0.000 177.298 177.300 -0.003 0.000 1.155 19 P CA 0.000 63.098 63.100 -0.003 0.000 0.800 19 P CB 0.000 31.698 31.700 -0.003 0.000 0.726 20 A N -1.014 121.804 122.820 -0.004 0.000 2.067 20 A HA 0.414 4.734 4.320 -0.000 0.000 0.217 20 A C 2.078 179.660 177.584 -0.004 0.000 1.156 20 A CA 2.855 54.890 52.037 -0.004 0.000 0.683 20 A CB -0.684 18.312 19.000 -0.005 0.000 0.808 20 A HN 1.025 nan 8.150 nan 0.000 0.455 21 T N -2.274 112.277 114.554 -0.004 0.000 3.069 21 T HA 0.406 4.756 4.350 -0.000 0.000 0.252 21 T C 1.692 176.390 174.700 -0.003 0.000 1.053 21 T CA 1.024 63.122 62.100 -0.004 0.000 0.964 21 T CB -0.299 68.567 68.868 -0.004 0.000 1.005 21 T HN 0.485 nan 8.240 nan 0.000 0.532 22 R N 0.350 120.848 120.500 -0.003 0.000 2.312 22 R HA 0.703 5.043 4.340 -0.000 0.000 0.205 22 R C 2.202 178.500 176.300 -0.002 0.000 0.904 22 R CA 0.973 57.071 56.100 -0.002 0.000 1.052 22 R CB -1.269 29.029 30.300 -0.002 0.000 1.014 22 R HN 0.803 nan 8.270 nan 0.000 0.503 23 I N -0.842 119.727 120.570 -0.002 0.000 3.427 23 I HA 0.525 4.695 4.170 -0.000 0.000 0.288 23 I C 2.494 178.610 176.117 -0.002 0.000 1.249 23 I CA 1.149 62.447 61.300 -0.002 0.000 1.421 23 I CB -0.624 37.375 38.000 -0.002 0.000 1.086 23 I HN 0.460 nan 8.210 nan 0.000 0.448 24 L N -0.657 120.565 121.223 -0.002 0.000 2.599 24 L HA 0.646 4.986 4.340 -0.000 0.000 0.230 24 L C 2.362 179.231 176.870 -0.002 0.000 1.141 24 L CA 1.531 56.369 54.840 -0.002 0.000 0.877 24 L CB -1.587 40.471 42.059 -0.002 0.000 1.009 24 L HN 0.949 nan 8.230 nan 0.000 0.447 25 L N -2.783 118.439 121.223 -0.002 0.000 2.515 25 L HA 0.593 4.933 4.340 -0.000 0.000 0.223 25 L C 2.656 179.525 176.870 -0.002 0.000 1.079 25 L CA 1.647 56.486 54.840 -0.002 0.000 0.857 25 L CB -0.910 41.148 42.059 -0.002 0.000 1.050 25 L HN 0.688 nan 8.230 nan 0.000 0.476 26 L N -1.024 120.198 121.223 -0.002 0.000 2.209 26 L HA 0.526 4.866 4.340 -0.000 0.000 0.207 26 L C 2.669 179.539 176.870 -0.001 0.000 1.094 26 L CA 1.916 56.755 54.840 -0.001 0.000 0.790 26 L CB -1.329 40.730 42.059 -0.001 0.000 0.932 26 L HN 0.692 nan 8.230 nan 0.000 0.447 27 V N -1.357 118.556 119.914 -0.001 0.000 3.541 27 V HA 0.402 4.522 4.120 -0.000 0.000 0.267 27 V C 2.368 178.461 176.094 -0.001 0.000 1.213 27 V CA 1.984 64.283 62.300 -0.001 0.000 1.149 27 V CB -0.450 31.372 31.823 -0.002 0.000 0.822 27 V HN 0.806 nan 8.190 nan 0.000 0.462 28 L N -1.911 119.311 121.223 -0.001 0.000 2.515 28 L HA 0.743 5.083 4.340 -0.000 0.000 0.223 28 L C 2.387 179.256 176.870 -0.001 0.000 1.079 28 L CA 1.720 56.559 54.840 -0.001 0.000 0.857 28 L CB -0.837 41.221 42.059 -0.001 0.000 1.050 28 L HN 0.561 nan 8.230 nan 0.000 0.476 29 A N -0.662 122.157 122.820 -0.001 0.000 2.081 29 A HA 0.408 4.728 4.320 -0.000 0.000 0.214 29 A C 2.290 179.874 177.584 -0.001 0.000 1.158 29 A CA 1.408 53.444 52.037 -0.001 0.000 0.724 29 A CB -0.580 18.419 19.000 -0.001 0.000 0.826 29 A HN 1.214 nan 8.150 nan 0.000 0.463 30 V N -0.426 119.487 119.914 -0.001 0.000 3.041 30 V HA 0.090 4.210 4.120 -0.000 0.000 0.260 30 V C 2.475 178.569 176.094 -0.001 0.000 1.105 30 V CA 2.177 64.476 62.300 -0.001 0.000 1.125 30 V CB -1.045 30.778 31.823 -0.001 0.000 0.730 30 V HN 0.569 nan 8.190 nan 0.000 0.479 31 I N -0.626 119.944 120.570 -0.001 0.000 2.876 31 I HA 0.286 4.456 4.170 -0.000 0.000 0.264 31 I C 2.355 178.472 176.117 -0.001 0.000 1.204 31 I CA 1.895 63.194 61.300 -0.001 0.000 1.485 31 I CB -0.762 37.237 38.000 -0.001 0.000 1.103 31 I HN 0.573 nan 8.210 nan 0.000 0.446 32 I N -1.366 119.203 120.570 -0.001 0.000 3.860 32 I HA 0.413 4.583 4.170 -0.000 0.000 0.319 32 I C 2.266 178.382 176.117 -0.001 0.000 1.279 32 I CA 1.344 62.644 61.300 -0.001 0.000 1.220 32 I CB -1.716 36.283 38.000 -0.001 0.000 1.027 32 I HN 0.802 nan 8.210 nan 0.000 0.428 33 Y N -0.614 119.686 120.300 -0.001 0.000 2.535 33 Y HA 0.489 5.039 4.550 -0.000 0.000 0.264 33 Y C 2.370 178.270 175.900 -0.001 0.000 1.087 33 Y CA 1.000 59.100 58.100 -0.001 0.000 1.285 33 Y CB -0.277 38.182 38.460 -0.001 0.000 1.200 33 Y HN 0.388 nan 8.280 nan 0.000 0.514 34 G N -0.705 108.095 108.800 -0.001 0.000 2.459 34 G HA2 0.169 4.129 3.960 -0.000 0.000 0.213 34 G HA3 0.169 4.129 3.960 -0.000 0.000 0.213 34 G C 1.607 176.506 174.900 -0.001 0.000 1.155 34 G CA 1.567 46.666 45.100 -0.001 0.000 0.811 34 G HN 0.714 nan 8.290 nan 0.000 0.534 35 T N 0.567 115.120 114.554 -0.001 0.000 3.088 35 T HA 0.561 4.911 4.350 -0.000 0.000 0.259 35 T C 2.266 176.965 174.700 -0.001 0.000 1.122 35 T CA 1.502 63.602 62.100 -0.001 0.000 1.095 35 T CB -0.106 68.762 68.868 -0.001 0.000 0.930 35 T HN 0.318 nan 8.240 nan 0.000 0.508 36 A N 1.251 124.071 122.820 -0.001 0.000 1.897 36 A HA 0.365 4.685 4.320 -0.000 0.000 0.215 36 A C 2.661 180.244 177.584 -0.001 0.000 1.181 36 A CA 1.531 53.567 52.037 -0.001 0.000 0.620 36 A CB -0.910 18.089 19.000 -0.001 0.000 0.821 36 A HN 0.504 nan 8.150 nan 0.000 0.443 37 G N -2.206 106.594 108.800 -0.000 0.000 2.679 37 G HA2 0.157 4.117 3.960 -0.000 0.000 0.212 37 G HA3 0.157 4.117 3.960 -0.000 0.000 0.212 37 G C 1.216 176.116 174.900 -0.000 0.000 1.137 37 G CA 1.175 46.275 45.100 -0.000 0.000 0.787 37 G HN 0.635 nan 8.290 nan 0.000 0.534 38 F N -0.020 119.930 119.950 -0.000 0.000 2.163 38 F HA 0.157 4.684 4.527 -0.000 0.000 0.297 38 F C 2.507 178.307 175.800 -0.000 0.000 1.094 38 F CA 1.862 59.862 58.000 -0.000 0.000 1.290 38 F CB -1.125 37.875 39.000 -0.000 0.000 1.017 38 F HN 0.550 nan 8.300 nan 0.000 0.483 39 H N -2.351 116.719 119.070 -0.000 0.000 2.539 39 H HA 0.414 4.970 4.556 -0.000 0.000 0.267 39 H C 1.934 177.261 175.328 -0.000 0.000 0.982 39 H CA 1.357 57.405 56.048 -0.000 0.000 1.146 39 H CB -1.327 28.435 29.762 -0.000 0.000 1.382 39 H HN 1.007 nan 8.280 nan 0.000 0.577 40 F N -0.042 119.908 119.950 -0.000 0.000 2.514 40 F HA 0.510 5.037 4.527 -0.000 0.000 0.281 40 F C 2.129 177.929 175.800 -0.000 0.000 1.060 40 F CA 0.606 58.606 58.000 -0.000 0.000 1.397 40 F CB -0.146 38.853 39.000 -0.000 0.000 1.129 40 F HN 0.577 nan 8.300 nan 0.000 0.620 41 I N 0.904 121.473 120.570 -0.000 0.000 3.731 41 I HA 0.711 4.881 4.170 -0.000 0.000 0.341 41 I C -0.069 176.048 176.117 -0.000 0.000 1.532 41 I CA 0.748 62.048 61.300 -0.000 0.000 1.163 41 I CB -1.126 36.874 38.000 -0.000 0.000 1.339 41 I HN 0.999 nan 8.210 nan 0.000 0.449 42 E N -0.626 119.573 120.200 -0.000 0.000 2.094 42 E HA 0.663 5.013 4.350 -0.000 0.000 0.237 42 E C 0.598 177.197 176.600 -0.000 0.000 1.460 42 E CA -0.259 56.141 56.400 -0.000 0.000 0.965 42 E CB -0.432 29.268 29.700 -0.000 0.000 1.641 42 E HN 1.709 nan 8.360 nan 0.000 0.532 43 G N 0.661 109.461 108.800 -0.000 0.000 2.307 43 G HA2 0.550 4.510 3.960 -0.000 0.000 0.271 43 G HA3 0.550 4.510 3.960 -0.000 0.000 0.271 43 G C 0.556 175.456 174.900 -0.000 0.000 1.191 43 G CA 0.986 46.085 45.100 -0.000 0.000 1.024 43 G HN 1.326 nan 8.290 nan 0.000 0.441 44 E N 0.620 120.820 120.200 -0.000 0.000 2.708 44 E HA 0.422 4.772 4.350 -0.000 0.000 0.260 44 E C 0.670 177.269 176.600 -0.000 0.000 0.937 44 E CA 0.701 57.101 56.400 -0.000 0.000 0.953 44 E CB -0.135 29.565 29.700 -0.000 0.000 0.915 44 E HN 2.041 nan 8.360 nan 0.000 0.487 45 S N -0.790 114.909 115.700 -0.000 0.000 2.930 45 S HA 0.398 4.868 4.470 -0.000 0.000 0.138 45 S C 0.729 175.328 174.600 -0.000 0.000 0.769 45 S CA 0.421 58.621 58.200 -0.000 0.000 0.888 45 S CB -1.233 61.967 63.200 -0.000 0.000 1.618 45 S HN 1.894 nan 8.310 nan 0.000 0.551 46 W N 0.877 122.177 121.300 -0.000 0.000 2.632 46 W HA 0.329 4.989 4.660 -0.000 0.000 0.248 46 W C 1.631 178.150 176.519 -0.000 0.000 1.259 46 W CA 1.752 59.096 57.345 -0.000 0.000 1.288 46 W CB -1.199 28.261 29.460 -0.000 0.000 1.136 46 W HN 1.144 nan 8.180 nan 0.000 0.640 47 T N -0.404 114.149 114.554 -0.000 0.000 2.866 47 T HA 0.342 4.692 4.350 -0.000 0.000 0.250 47 T C 1.769 176.469 174.700 -0.000 0.000 1.033 47 T CA 2.390 64.489 62.100 -0.000 0.000 1.145 47 T CB -0.647 68.221 68.868 -0.000 0.000 0.866 47 T HN 1.084 nan 8.240 nan 0.000 0.434 48 V N 1.208 121.122 119.914 -0.000 0.000 3.164 48 V HA 0.757 4.877 4.120 -0.000 0.000 0.388 48 V C 2.090 178.184 176.094 -0.000 0.000 1.279 48 V CA 0.975 63.275 62.300 -0.000 0.000 1.426 48 V CB -1.231 30.591 31.823 -0.000 0.000 1.330 48 V HN 0.675 nan 8.190 nan 0.000 0.511 49 S N 0.231 115.930 115.700 -0.000 0.000 2.387 49 S HA 0.221 4.691 4.470 -0.000 0.000 0.221 49 S C 1.997 176.596 174.600 -0.001 0.000 1.041 49 S CA 1.651 59.850 58.200 -0.000 0.000 0.959 49 S CB -0.255 62.944 63.200 -0.001 0.000 0.843 49 S HN 1.435 nan 8.310 nan 0.000 0.488 50 L N 0.281 121.503 121.223 -0.001 0.000 2.201 50 L HA 0.233 4.573 4.340 -0.000 0.000 0.212 50 L C 2.874 179.744 176.870 -0.001 0.000 1.105 50 L CA 2.191 57.030 54.840 -0.001 0.000 0.775 50 L CB -2.600 39.459 42.059 -0.001 0.000 0.913 50 L HN 0.833 nan 8.230 nan 0.000 0.440 51 Y N -2.842 117.458 120.300 -0.001 0.000 2.333 51 Y HA -0.034 4.516 4.550 -0.000 0.000 0.290 51 Y C 2.644 178.544 175.900 -0.000 0.000 1.144 51 Y CA 2.807 60.907 58.100 -0.001 0.000 1.228 51 Y CB -1.439 37.020 38.460 -0.000 0.000 0.985 51 Y HN 0.835 nan 8.280 nan 0.000 0.542 52 W N 0.132 121.432 121.300 -0.000 0.000 2.443 52 W HA 0.150 4.810 4.660 -0.000 0.000 0.296 52 W C 2.703 179.221 176.519 -0.001 0.000 1.202 52 W CA 2.569 59.914 57.345 -0.000 0.000 1.312 52 W CB -1.174 28.286 29.460 -0.000 0.000 1.120 52 W HN 0.633 nan 8.180 nan 0.000 0.536 53 T N -0.107 114.447 114.554 -0.001 0.000 2.643 53 T HA 0.056 4.406 4.350 -0.000 0.000 0.264 53 T C 2.255 176.955 174.700 -0.001 0.000 1.045 53 T CA 3.832 65.931 62.100 -0.001 0.000 1.155 53 T CB -1.188 67.680 68.868 -0.001 0.000 0.863 53 T HN 1.087 nan 8.240 nan 0.000 0.420 54 F N 1.451 121.400 119.950 -0.001 0.000 2.126 54 F HA 0.281 4.808 4.527 -0.000 0.000 0.299 54 F C 3.154 178.953 175.800 -0.001 0.000 1.096 54 F CA 2.153 60.153 58.000 -0.001 0.000 1.255 54 F CB -1.336 37.663 39.000 -0.001 0.000 0.997 54 F HN 0.443 nan 8.300 nan 0.000 0.479 55 V N 0.302 120.215 119.914 -0.001 0.000 2.343 55 V HA -0.091 4.029 4.120 -0.000 0.000 0.247 55 V C 2.536 178.630 176.094 -0.001 0.000 1.051 55 V CA 3.990 66.290 62.300 -0.001 0.000 1.036 55 V CB -1.782 30.041 31.823 -0.000 0.000 0.654 55 V HN 0.684 nan 8.190 nan 0.000 0.451 56 T N -0.365 114.189 114.554 -0.001 0.000 2.770 56 T HA 0.079 4.429 4.350 -0.000 0.000 0.263 56 T C 2.299 176.998 174.700 -0.001 0.000 1.039 56 T CA 3.302 65.402 62.100 -0.001 0.000 1.142 56 T CB -0.611 68.256 68.868 -0.001 0.000 0.868 56 T HN 1.137 nan 8.240 nan 0.000 0.435 57 I N 1.480 122.050 120.570 -0.001 0.000 2.361 57 I HA 0.519 4.689 4.170 -0.000 0.000 0.251 57 I C 2.716 178.833 176.117 -0.001 0.000 1.133 57 I CA 1.860 63.160 61.300 -0.001 0.000 1.413 57 I CB -1.695 36.304 38.000 -0.001 0.000 1.073 57 I HN 0.601 nan 8.210 nan 0.000 0.424 58 A N 0.391 123.210 122.820 -0.001 0.000 2.268 58 A HA 0.405 4.725 4.320 -0.000 0.000 0.221 58 A C 1.696 179.279 177.584 -0.001 0.000 1.287 58 A CA 1.241 53.277 52.037 -0.001 0.000 0.902 58 A CB -1.965 17.034 19.000 -0.001 0.000 0.877 58 A HN 2.216 nan 8.150 nan 0.000 0.487 59 T N -2.713 111.840 114.554 -0.001 0.000 3.799 59 T HA -0.121 4.229 4.350 -0.000 0.000 0.358 59 T C 1.492 176.191 174.700 -0.001 0.000 0.759 59 T CA 1.800 63.900 62.100 -0.001 0.000 1.869 59 T CB -2.311 66.556 68.868 -0.001 0.000 1.837 59 T HN 1.438 nan 8.240 nan 0.000 0.762 60 V N 0.026 119.940 119.914 -0.001 0.000 2.326 60 V HA 0.586 4.706 4.120 -0.000 0.000 0.237 60 V C 2.928 179.022 176.094 -0.000 0.000 1.044 60 V CA 1.742 64.042 62.300 -0.000 0.000 1.035 60 V CB -0.840 30.983 31.823 -0.000 0.000 0.675 60 V HN 2.359 nan 8.190 nan 0.000 0.470 61 G N -2.271 106.529 108.800 -0.000 0.000 2.272 61 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.280 61 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.280 61 G C 0.622 175.521 174.900 -0.000 0.000 1.067 61 G CA 1.227 46.327 45.100 -0.000 0.000 0.902 61 G HN 2.080 nan 8.290 nan 0.000 0.500 62 Y N -1.222 119.078 120.300 -0.000 0.000 2.081 62 Y HA 0.261 4.811 4.550 -0.000 0.000 0.280 62 Y C 3.067 178.966 175.900 -0.000 0.000 1.163 62 Y CA 2.352 60.452 58.100 -0.000 0.000 1.135 62 Y CB -0.203 38.257 38.460 -0.000 0.000 0.970 62 Y HN 2.243 nan 8.280 nan 0.000 0.498 63 G N -2.790 106.010 108.800 -0.000 0.000 2.174 63 G HA2 0.180 4.140 3.960 -0.000 0.000 0.140 63 G HA3 0.180 4.140 3.960 -0.000 0.000 0.140 63 G C 0.367 175.267 174.900 -0.000 0.000 1.031 63 G CA 0.853 45.953 45.100 -0.000 0.000 0.728 63 G HN 1.375 nan 8.290 nan 0.000 0.496 64 D N -1.000 119.400 120.400 -0.000 0.000 2.378 64 D HA 0.579 5.219 4.640 -0.000 0.000 0.227 64 D C 0.841 177.140 176.300 -0.000 0.000 1.012 64 D CA 1.601 55.601 54.000 -0.000 0.000 0.905 64 D CB -0.595 40.205 40.800 -0.000 0.000 0.895 64 D HN 2.119 nan 8.370 nan 0.000 0.532 65 Y N -2.813 117.486 120.300 -0.000 0.000 2.105 65 Y HA 0.581 5.131 4.550 -0.000 0.000 0.312 65 Y C 1.130 177.030 175.900 -0.000 0.000 1.205 65 Y CA -0.095 58.005 58.100 -0.000 0.000 1.583 65 Y CB 0.185 38.645 38.460 -0.000 0.000 1.301 65 Y HN 0.495 nan 8.280 nan 0.000 0.376 66 S N 2.002 117.702 115.700 -0.000 0.000 2.660 66 S HA 0.466 4.936 4.470 -0.000 0.000 0.228 66 S C 0.325 174.925 174.600 -0.000 0.000 0.966 66 S CA 0.378 58.578 58.200 -0.000 0.000 0.940 66 S CB -1.412 61.788 63.200 -0.000 0.000 0.773 66 S HN 2.501 nan 8.310 nan 0.000 0.535 67 P HA 0.130 nan 4.420 nan 0.000 0.014 67 P C 0.075 177.375 177.300 -0.000 0.000 0.563 67 P CA 1.261 64.361 63.100 -0.000 0.000 1.035 67 P CB -2.323 29.377 31.700 -0.000 0.000 1.909 68 S N -0.221 115.479 115.700 -0.000 0.000 2.439 68 S HA 0.813 5.283 4.470 -0.000 0.000 0.282 68 S C 1.223 175.823 174.600 -0.000 0.000 1.170 68 S CA 1.223 59.423 58.200 -0.000 0.000 1.054 68 S CB 0.416 63.616 63.200 -0.000 0.000 0.956 68 S HN 1.598 nan 8.310 nan 0.000 0.490 69 T N 0.710 115.264 114.554 -0.000 0.000 3.661 69 T HA 0.624 4.974 4.350 -0.000 0.000 0.287 69 T C -0.153 174.547 174.700 -0.000 0.000 0.892 69 T CA 1.596 63.696 62.100 -0.000 0.000 0.775 69 T CB -1.347 67.521 68.868 -0.000 0.000 1.216 69 T HN 1.585 nan 8.240 nan 0.000 0.850 70 P HA -0.116 nan 4.420 nan 0.000 0.222 70 P C 1.753 179.053 177.300 -0.000 0.000 0.501 70 P CA 3.740 66.840 63.100 -0.000 0.000 1.080 70 P CB -1.744 29.956 31.700 -0.000 0.000 0.494 71 L N -1.429 119.794 121.223 -0.000 0.000 2.156 71 L HA 0.536 4.876 4.340 -0.000 0.000 0.208 71 L C 2.867 179.737 176.870 -0.000 0.000 1.095 71 L CA 3.071 57.910 54.840 -0.000 0.000 0.770 71 L CB -1.779 40.280 42.059 -0.000 0.000 0.914 71 L HN 0.874 nan 8.230 nan 0.000 0.439 72 G N -2.092 106.708 108.800 -0.000 0.000 2.813 72 G HA2 0.236 4.196 3.960 -0.000 0.000 0.209 72 G HA3 0.236 4.196 3.960 -0.000 0.000 0.209 72 G C 1.521 176.420 174.900 -0.000 0.000 1.150 72 G CA 1.523 46.623 45.100 -0.000 0.000 0.785 72 G HN 0.853 nan 8.290 nan 0.000 0.535 73 M N -0.388 119.212 119.600 -0.000 0.000 2.447 73 M HA 0.390 4.870 4.480 -0.000 0.000 0.264 73 M C 2.537 178.836 176.300 -0.000 0.000 1.095 73 M CA 1.510 56.810 55.300 -0.000 0.000 1.125 73 M CB -1.685 30.915 32.600 -0.000 0.000 1.389 73 M HN 0.576 nan 8.290 nan 0.000 0.459 74 Y N -1.909 118.391 120.300 -0.000 0.000 2.365 74 Y HA 0.281 4.831 4.550 -0.000 0.000 0.293 74 Y C 2.441 178.341 175.900 -0.000 0.000 1.119 74 Y CA 1.825 59.925 58.100 -0.000 0.000 1.203 74 Y CB -1.340 37.120 38.460 -0.000 0.000 1.026 74 Y HN 0.857 nan 8.280 nan 0.000 0.549 75 F N 0.241 120.191 119.950 -0.000 0.000 2.569 75 F HA 0.263 4.790 4.527 -0.000 0.000 0.295 75 F C 2.477 178.277 175.800 -0.000 0.000 1.115 75 F CA 1.827 59.827 58.000 -0.000 0.000 1.450 75 F CB -1.346 37.654 39.000 -0.000 0.000 1.107 75 F HN 0.460 nan 8.300 nan 0.000 0.563 76 T N -0.720 113.834 114.554 -0.000 0.000 3.023 76 T HA 0.276 4.626 4.350 -0.000 0.000 0.266 76 T C 2.171 176.870 174.700 -0.000 0.000 1.093 76 T CA 1.826 63.926 62.100 -0.000 0.000 1.129 76 T CB -0.907 67.961 68.868 -0.000 0.000 0.899 76 T HN 0.940 nan 8.240 nan 0.000 0.491 77 V N 1.007 120.920 119.914 -0.000 0.000 2.719 77 V HA 0.299 4.419 4.120 -0.000 0.000 0.252 77 V C 2.827 178.921 176.094 -0.000 0.000 1.065 77 V CA 2.462 64.761 62.300 -0.000 0.000 1.086 77 V CB -1.579 30.244 31.823 -0.000 0.000 0.700 77 V HN 0.548 nan 8.190 nan 0.000 0.467 78 T N -0.628 113.926 114.554 -0.000 0.000 2.904 78 T HA 0.182 4.532 4.350 -0.000 0.000 0.267 78 T C 2.012 176.712 174.700 -0.001 0.000 1.059 78 T CA 2.699 64.799 62.100 -0.001 0.000 1.137 78 T CB -0.556 68.312 68.868 -0.001 0.000 0.879 78 T HN 1.129 nan 8.240 nan 0.000 0.467 79 L N 0.407 121.629 121.223 -0.001 0.000 2.552 79 L HA 0.623 4.963 4.340 -0.000 0.000 0.227 79 L C 2.930 179.800 176.870 -0.001 0.000 1.146 79 L CA 1.588 56.427 54.840 -0.001 0.000 0.858 79 L CB -1.764 40.295 42.059 -0.001 0.000 0.969 79 L HN 0.721 nan 8.230 nan 0.000 0.451 80 I N -2.015 118.555 120.570 -0.001 0.000 2.731 80 I HA 0.416 4.586 4.170 -0.000 0.000 0.260 80 I C 2.604 178.721 176.117 -0.001 0.000 1.138 80 I CA 1.715 63.015 61.300 -0.001 0.000 1.461 80 I CB -0.786 37.214 38.000 -0.001 0.000 1.128 80 I HN 0.415 nan 8.210 nan 0.000 0.438 81 V N 0.714 120.628 119.914 -0.001 0.000 2.270 81 V HA 0.125 4.245 4.120 -0.000 0.000 0.245 81 V C 2.589 178.683 176.094 -0.001 0.000 1.043 81 V CA 2.957 65.257 62.300 -0.001 0.000 1.014 81 V CB -1.122 30.701 31.823 -0.001 0.000 0.645 81 V HN 1.169 nan 8.190 nan 0.000 0.447 82 L N 0.631 121.854 121.223 -0.001 0.000 2.682 82 L HA 0.624 4.964 4.340 -0.000 0.000 0.240 82 L C 2.078 178.948 176.870 -0.001 0.000 1.178 82 L CA 1.270 56.110 54.840 -0.001 0.000 0.970 82 L CB -1.620 40.439 42.059 -0.001 0.000 1.179 82 L HN 0.565 nan 8.230 nan 0.000 0.435 83 G N -1.301 107.498 108.800 -0.001 0.000 2.623 83 G HA2 0.235 4.195 3.960 -0.000 0.000 0.214 83 G HA3 0.235 4.195 3.960 -0.000 0.000 0.214 83 G C 1.242 176.141 174.900 -0.001 0.000 1.138 83 G CA 1.491 46.591 45.100 -0.001 0.000 0.794 83 G HN 0.942 nan 8.290 nan 0.000 0.535 84 I N 0.241 120.810 120.570 -0.001 0.000 3.854 84 I HA 0.546 4.716 4.170 -0.000 0.000 0.312 84 I C 2.339 178.456 176.117 -0.001 0.000 1.273 84 I CA 0.991 62.291 61.300 -0.001 0.000 1.298 84 I CB -0.539 37.460 38.000 -0.001 0.000 1.071 84 I HN 0.156 nan 8.210 nan 0.000 0.428 85 G N 0.014 108.813 108.800 -0.001 0.000 3.234 85 G HA2 0.379 4.339 3.960 -0.000 0.000 0.221 85 G HA3 0.379 4.339 3.960 -0.000 0.000 0.221 85 G C 0.889 175.789 174.900 -0.001 0.000 1.229 85 G CA 1.333 46.433 45.100 -0.001 0.000 0.909 85 G HN 0.948 nan 8.290 nan 0.000 0.510 86 T N -3.416 111.137 114.554 -0.001 0.000 3.123 86 T HA 0.391 4.741 4.350 -0.000 0.000 0.259 86 T C 1.667 176.366 174.700 -0.001 0.000 0.871 86 T CA 0.959 63.058 62.100 -0.001 0.000 0.857 86 T CB -0.223 68.644 68.868 -0.001 0.000 1.267 86 T HN 0.323 nan 8.240 nan 0.000 0.556 87 F N 1.554 121.503 119.950 -0.001 0.000 2.220 87 F HA 0.695 5.222 4.527 -0.000 0.000 0.290 87 F C 2.696 178.496 175.800 -0.001 0.000 1.080 87 F CA 1.007 59.006 58.000 -0.001 0.000 1.318 87 F CB -0.918 38.081 39.000 -0.001 0.000 1.063 87 F HN 0.442 nan 8.300 nan 0.000 0.498 88 A N -0.163 122.657 122.820 -0.001 0.000 2.235 88 A HA 0.427 4.747 4.320 -0.000 0.000 0.208 88 A C 1.986 179.569 177.584 -0.002 0.000 1.172 88 A CA 1.453 53.489 52.037 -0.002 0.000 0.786 88 A CB -1.198 17.801 19.000 -0.002 0.000 0.804 88 A HN 1.217 nan 8.150 nan 0.000 0.479 89 V N -1.371 118.542 119.914 -0.002 0.000 2.484 89 V HA 0.380 4.500 4.120 -0.000 0.000 0.236 89 V C 2.486 178.579 176.094 -0.002 0.000 1.062 89 V CA 1.364 63.663 62.300 -0.002 0.000 1.081 89 V CB -1.344 30.478 31.823 -0.002 0.000 0.751 89 V HN 0.429 nan 8.190 nan 0.000 0.484 90 A N -0.110 122.709 122.820 -0.002 0.000 2.259 90 A HA 0.266 4.586 4.320 -0.000 0.000 0.212 90 A C 2.069 179.652 177.584 -0.002 0.000 1.178 90 A CA 2.156 54.191 52.037 -0.002 0.000 0.734 90 A CB -1.142 17.857 19.000 -0.002 0.000 0.774 90 A HN 1.351 nan 8.150 nan 0.000 0.481 91 V N -1.146 118.767 119.914 -0.002 0.000 2.300 91 V HA 0.080 4.200 4.120 -0.000 0.000 0.241 91 V C 2.347 178.439 176.094 -0.002 0.000 1.034 91 V CA 2.394 64.693 62.300 -0.002 0.000 1.021 91 V CB -1.286 30.536 31.823 -0.002 0.000 0.662 91 V HN 0.544 nan 8.190 nan 0.000 0.458 92 E N 0.568 120.766 120.200 -0.003 0.000 2.478 92 E HA 0.081 4.431 4.350 -0.000 0.000 0.198 92 E C 2.140 178.738 176.600 -0.004 0.000 1.046 92 E CA 1.473 57.871 56.400 -0.004 0.000 0.870 92 E CB -0.807 28.890 29.700 -0.004 0.000 0.818 92 E HN 0.906 nan 8.360 nan 0.000 0.527 93 R N -0.808 119.690 120.500 -0.003 0.000 2.237 93 R HA 0.618 4.958 4.340 -0.000 0.000 0.195 93 R C 2.516 178.815 176.300 -0.003 0.000 0.956 93 R CA 1.123 57.221 56.100 -0.003 0.000 1.029 93 R CB -1.106 29.192 30.300 -0.003 0.000 0.972 93 R HN 0.926 nan 8.270 nan 0.000 0.493 94 L N -0.749 120.473 121.223 -0.002 0.000 2.416 94 L HA 0.632 4.972 4.340 -0.000 0.000 0.216 94 L C 2.648 179.517 176.870 -0.001 0.000 1.098 94 L CA 1.486 56.325 54.840 -0.002 0.000 0.840 94 L CB -0.944 41.114 42.059 -0.001 0.000 0.981 94 L HN 0.618 nan 8.230 nan 0.000 0.462 95 L N -1.448 119.774 121.223 -0.002 0.000 2.640 95 L HA 0.698 5.038 4.340 -0.000 0.000 0.230 95 L C 1.896 178.765 176.870 -0.003 0.000 1.123 95 L CA 1.352 56.191 54.840 -0.002 0.000 0.900 95 L CB -1.257 40.801 42.059 -0.002 0.000 1.146 95 L HN 0.715 nan 8.230 nan 0.000 0.484 96 E N -1.866 118.332 120.200 -0.004 0.000 2.451 96 E HA 0.534 4.884 4.350 -0.000 0.000 0.194 96 E C 0.996 177.594 176.600 -0.005 0.000 1.027 96 E CA 1.003 57.400 56.400 -0.005 0.000 0.914 96 E CB -0.804 28.892 29.700 -0.006 0.000 1.054 96 E HN 1.624 nan 8.360 nan 0.000 0.461 97 F N -1.905 118.043 119.950 -0.003 0.000 2.637 97 F HA 0.665 5.192 4.527 -0.000 0.000 0.342 97 F C 0.722 176.521 175.800 -0.001 0.000 0.822 97 F CA 0.597 58.596 58.000 -0.003 0.000 1.046 97 F CB 0.447 39.445 39.000 -0.003 0.000 0.921 97 F HN 0.936 nan 8.300 nan 0.000 0.649 117 H N -2.595 116.512 119.070 0.062 0.000 2.797 117 H HA 0.757 5.313 4.556 -0.000 0.000 0.372 117 H C -0.881 174.512 175.328 0.107 0.000 1.168 117 H CA -1.289 54.831 56.048 0.120 0.000 1.163 117 H CB 2.156 32.026 29.762 0.180 0.000 1.778 117 H HN -0.117 nan 8.280 nan 0.000 0.551 118 V N 2.880 122.800 119.914 0.011 0.000 2.459 118 V HA 0.258 4.378 4.120 -0.000 0.000 0.295 118 V C -0.294 175.738 176.094 -0.105 0.000 1.029 118 V CA -0.876 61.378 62.300 -0.078 0.000 0.874 118 V CB 1.452 33.287 31.823 0.019 0.000 0.985 118 V HN 0.601 nan 8.190 nan 0.000 0.438 119 V N 6.179 125.996 119.914 -0.160 0.000 2.398 119 V HA 0.486 4.606 4.120 -0.000 0.000 0.286 119 V C -0.160 175.936 176.094 0.003 0.000 1.026 119 V CA -0.359 61.895 62.300 -0.078 0.000 0.868 119 V CB 1.771 33.503 31.823 -0.152 0.000 0.982 119 V HN 0.688 nan 8.190 nan 0.000 0.443 120 I N 4.553 125.163 120.570 0.066 0.000 2.359 120 I HA 0.306 4.476 4.170 -0.000 0.000 0.284 120 I C -0.279 175.897 176.117 0.097 0.000 1.018 120 I CA -0.185 61.168 61.300 0.088 0.000 1.173 120 I CB 1.172 39.259 38.000 0.144 0.000 1.326 120 I HN 0.524 nan 8.210 nan 0.000 0.462 121 C N 5.816 125.153 119.300 0.062 0.000 2.373 121 C HA 0.689 5.149 4.460 -0.000 0.000 0.354 121 C C 0.870 175.908 174.990 0.080 0.000 1.249 121 C CA -0.124 58.928 59.018 0.056 0.000 1.784 121 C CB -0.745 27.010 27.740 0.025 0.000 2.408 121 C HN 1.048 nan 8.230 nan 0.000 0.542 122 G N 3.912 112.783 108.800 0.118 0.000 2.785 122 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.686 122 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.686 122 G C -0.893 174.157 174.900 0.250 0.000 1.155 122 G CA -0.508 44.678 45.100 0.144 0.000 0.760 122 G HN 1.000 nan 8.290 nan 0.000 0.624 123 W N 4.555 125.876 121.300 0.035 0.000 2.391 123 W HA 0.637 5.297 4.660 0.000 0.000 0.312 123 W C 0.142 176.668 176.519 0.013 0.000 1.003 123 W CA -0.189 57.175 57.345 0.032 0.000 1.375 123 W CB 1.424 30.911 29.460 0.045 0.000 1.253 123 W HN 1.320 nan 8.180 nan 0.000 0.416 124 S N 2.936 118.361 115.700 -0.458 0.000 2.704 124 S HA 0.339 4.809 4.470 -0.000 0.000 0.296 124 S C 0.735 175.015 174.600 -0.534 0.000 1.138 124 S CA -0.557 57.392 58.200 -0.419 0.000 0.875 124 S CB 2.262 65.350 63.200 -0.186 0.000 1.151 124 S HN 0.447 nan 8.310 nan 0.000 0.500 125 E N 1.589 121.582 120.200 -0.346 0.000 2.086 125 E HA -0.133 4.217 4.350 -0.000 0.000 0.200 125 E C 2.187 178.639 176.600 -0.245 0.000 1.012 125 E CA 2.020 58.251 56.400 -0.282 0.000 0.812 125 E CB -0.890 28.724 29.700 -0.144 0.000 0.743 125 E HN 0.687 nan 8.360 nan 0.000 0.453 126 S N 0.645 116.237 115.700 -0.180 0.000 2.369 126 S HA -0.206 4.264 4.470 -0.000 0.000 0.225 126 S C 2.187 176.689 174.600 -0.163 0.000 1.043 126 S CA 2.013 60.131 58.200 -0.137 0.000 1.074 126 S CB -0.877 62.253 63.200 -0.116 0.000 0.962 126 S HN 0.299 nan 8.310 nan 0.000 0.433 127 T N 2.864 117.294 114.554 -0.207 0.000 2.624 127 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 127 T C 1.721 176.269 174.700 -0.253 0.000 1.041 127 T CA 1.512 63.498 62.100 -0.190 0.000 1.159 127 T CB -0.656 68.095 68.868 -0.194 0.000 0.863 127 T HN 0.252 nan 8.240 nan 0.000 0.434 128 L N 0.950 121.852 121.223 -0.534 0.000 1.971 128 L HA -0.180 4.160 4.340 -0.000 0.000 0.215 128 L C 2.762 179.539 176.870 -0.155 0.000 1.072 128 L CA 1.729 56.299 54.840 -0.451 0.000 0.758 128 L CB -0.369 41.357 42.059 -0.555 0.000 0.889 128 L HN 0.183 nan 8.230 nan 0.000 0.433 129 E N -0.570 119.542 120.200 -0.147 0.000 2.171 129 E HA -0.293 4.057 4.350 -0.000 0.000 0.197 129 E C 2.144 178.715 176.600 -0.047 0.000 0.997 129 E CA 1.482 57.836 56.400 -0.077 0.000 0.810 129 E CB -0.911 28.745 29.700 -0.073 0.000 0.738 129 E HN 0.667 nan 8.360 nan 0.000 0.467 130 C N 0.228 119.497 119.300 -0.052 0.000 2.476 130 C HA -0.022 4.438 4.460 -0.000 0.000 0.278 130 C C 2.625 177.622 174.990 0.011 0.000 1.274 130 C CA 0.484 59.490 59.018 -0.020 0.000 1.713 130 C CB -1.084 26.643 27.740 -0.021 0.000 2.039 130 C HN 0.393 nan 8.230 nan 0.000 0.484 131 L N 1.479 122.723 121.223 0.035 0.000 2.349 131 L HA -0.029 4.311 4.340 -0.000 0.000 0.220 131 L C 2.573 179.479 176.870 0.061 0.000 1.130 131 L CA 1.657 56.547 54.840 0.083 0.000 0.791 131 L CB -0.893 41.277 42.059 0.186 0.000 0.918 131 L HN 0.325 nan 8.230 nan 0.000 0.444 132 R N -0.929 119.592 120.500 0.036 0.000 2.148 132 R HA -0.065 4.275 4.340 -0.000 0.000 0.223 132 R C 1.850 178.161 176.300 0.018 0.000 1.088 132 R CA 1.035 57.151 56.100 0.027 0.000 0.985 132 R CB 0.005 30.312 30.300 0.011 0.000 0.880 132 R HN 0.442 nan 8.270 nan 0.000 0.451 133 E N 0.656 120.864 120.200 0.014 0.000 2.075 133 E HA -0.036 4.314 4.350 -0.000 0.000 0.190 133 E C 1.805 178.415 176.600 0.018 0.000 0.969 133 E CA 0.681 57.087 56.400 0.011 0.000 0.815 133 E CB -0.017 29.686 29.700 0.004 0.000 0.776 133 E HN 0.291 nan 8.360 nan 0.000 0.457 134 L N 1.307 122.544 121.223 0.025 0.000 2.700 134 L HA 0.048 4.388 4.340 -0.000 0.000 0.240 134 L C 2.344 179.232 176.870 0.030 0.000 1.162 134 L CA 0.125 54.983 54.840 0.030 0.000 0.874 134 L CB -0.468 41.614 42.059 0.038 0.000 1.001 134 L HN 0.029 nan 8.230 nan 0.000 0.447 135 R N 1.379 121.895 120.500 0.027 0.000 2.119 135 R HA -0.157 4.183 4.340 -0.000 0.000 0.246 135 R C 1.706 178.017 176.300 0.018 0.000 1.146 135 R CA 1.468 57.582 56.100 0.022 0.000 0.962 135 R CB -0.316 29.996 30.300 0.020 0.000 0.863 135 R HN 0.430 nan 8.270 nan 0.000 0.442 136 G N -0.170 108.642 108.800 0.020 0.000 3.392 136 G HA2 0.139 4.099 3.960 -0.000 0.000 0.247 136 G HA3 0.139 4.099 3.960 -0.000 0.000 0.247 136 G C -0.850 174.066 174.900 0.026 0.000 1.161 136 G CA 0.408 45.520 45.100 0.020 0.000 1.739 136 G HN 0.411 nan 8.290 nan 0.000 0.619 137 S N -1.835 113.883 115.700 0.029 0.000 2.627 137 S HA 0.303 4.773 4.470 -0.000 0.000 0.268 137 S C -1.113 173.515 174.600 0.047 0.000 1.130 137 S CA -1.041 57.185 58.200 0.044 0.000 0.819 137 S CB 1.374 64.606 63.200 0.054 0.000 1.100 137 S HN 0.067 nan 8.310 nan 0.000 0.465 138 E N 0.880 121.132 120.200 0.087 0.000 2.159 138 E HA 0.410 4.760 4.350 -0.000 0.000 0.272 138 E C -0.956 175.738 176.600 0.156 0.000 1.138 138 E CA 0.064 56.538 56.400 0.123 0.000 0.915 138 E CB 0.963 30.816 29.700 0.255 0.000 1.028 138 E HN 0.434 nan 8.360 nan 0.000 0.423 139 V N 4.850 124.775 119.914 0.019 0.000 2.656 139 V HA 0.411 4.531 4.120 -0.000 0.000 0.307 139 V C -0.721 175.322 176.094 -0.085 0.000 1.051 139 V CA -0.760 61.576 62.300 0.059 0.000 0.893 139 V CB 1.363 33.212 31.823 0.044 0.000 0.999 139 V HN 0.413 nan 8.190 nan 0.000 0.426 140 F N 2.926 122.876 119.950 0.001 0.000 2.477 140 F HA 0.614 5.141 4.527 -0.000 0.000 0.335 140 F C -0.029 175.782 175.800 0.019 0.000 1.130 140 F CA -0.826 57.181 58.000 0.011 0.000 0.948 140 F CB 2.054 41.048 39.000 -0.010 0.000 1.154 140 F HN 0.148 nan 8.300 nan 0.000 0.439 141 V N 5.303 125.330 119.914 0.188 0.000 2.350 141 V HA 0.329 4.449 4.120 -0.000 0.000 0.276 141 V C -0.295 175.865 176.094 0.109 0.000 1.028 141 V CA -0.719 61.703 62.300 0.203 0.000 0.860 141 V CB 1.637 33.613 31.823 0.255 0.000 0.990 141 V HN 0.633 nan 8.190 nan 0.000 0.453 142 L N 5.705 126.962 121.223 0.057 0.000 2.265 142 L HA 0.871 5.211 4.340 -0.000 0.000 0.289 142 L C 0.009 176.873 176.870 -0.010 0.000 1.033 142 L CA -0.017 54.773 54.840 -0.083 0.000 0.814 142 L CB 0.968 42.998 42.059 -0.049 0.000 1.203 142 L HN 0.777 nan 8.230 nan 0.000 0.423 143 A N 3.838 126.616 122.820 -0.070 0.000 2.556 143 A HA 0.424 4.744 4.320 -0.000 0.000 0.294 143 A C 0.196 177.730 177.584 -0.082 0.000 1.091 143 A CA -0.579 51.503 52.037 0.074 0.000 0.704 143 A CB 1.598 20.790 19.000 0.320 0.000 1.300 143 A HN 0.804 nan 8.150 nan 0.000 0.406 144 E N 0.172 120.335 120.200 -0.061 0.000 2.051 144 E HA -0.107 4.243 4.350 -0.000 0.000 0.189 144 E C -0.163 176.311 176.600 -0.210 0.000 0.979 144 E CA 0.597 56.907 56.400 -0.151 0.000 0.803 144 E CB 0.123 29.800 29.700 -0.039 0.000 0.761 144 E HN 0.708 nan 8.360 nan 0.000 0.451 145 D N 1.005 121.375 120.400 -0.049 0.000 2.358 145 D HA -0.067 4.573 4.640 -0.000 0.000 0.258 145 D C 0.807 177.102 176.300 -0.009 0.000 1.223 145 D CA 0.165 54.159 54.000 -0.010 0.000 0.886 145 D CB 1.440 42.255 40.800 0.025 0.000 1.120 145 D HN -0.023 nan 8.370 nan 0.000 0.482 146 E N 4.070 124.325 120.200 0.091 0.000 2.077 146 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 146 E C 1.191 177.761 176.600 -0.049 0.000 0.989 146 E CA 1.402 57.928 56.400 0.210 0.000 0.800 146 E CB -0.053 29.852 29.700 0.342 0.000 0.746 146 E HN 0.466 nan 8.360 nan 0.000 0.452 147 N N 0.178 118.853 118.700 -0.041 0.000 2.314 147 N HA -0.188 4.552 4.740 -0.000 0.000 0.191 147 N C 1.742 177.127 175.510 -0.208 0.000 1.007 147 N CA 1.461 54.457 53.050 -0.089 0.000 0.883 147 N CB -0.283 38.182 38.487 -0.036 0.000 0.969 147 N HN 0.142 nan 8.380 nan 0.000 0.441 148 V N 1.402 121.116 119.914 -0.333 0.000 2.237 148 V HA -0.263 3.857 4.120 -0.000 0.000 0.245 148 V C 2.464 178.045 176.094 -0.855 0.000 1.046 148 V CA 1.708 63.659 62.300 -0.581 0.000 1.007 148 V CB -0.580 30.812 31.823 -0.718 0.000 0.638 148 V HN 0.328 nan 8.190 nan 0.000 0.445 149 R N 0.743 120.465 120.500 -1.296 0.000 2.313 149 R HA -0.410 3.930 4.340 -0.000 0.000 0.218 149 R C 2.236 178.187 176.300 -0.582 0.000 1.104 149 R CA 3.135 58.535 56.100 -1.167 0.000 0.793 149 R CB -0.726 29.232 30.300 -0.569 0.000 0.964 149 R HN 0.491 nan 8.270 nan 0.000 0.377 150 K N -0.133 120.058 120.400 -0.349 0.000 2.117 150 K HA -0.299 4.021 4.320 -0.000 0.000 0.215 150 K C 2.344 178.814 176.600 -0.216 0.000 1.053 150 K CA 2.451 58.609 56.287 -0.214 0.000 0.935 150 K CB -0.289 32.125 32.500 -0.145 0.000 0.719 150 K HN 0.380 nan 8.250 nan 0.000 0.460 151 K N 0.796 121.032 120.400 -0.273 0.000 2.076 151 K HA -0.040 4.280 4.320 -0.000 0.000 0.204 151 K C 1.882 178.312 176.600 -0.285 0.000 1.051 151 K CA 0.625 56.795 56.287 -0.196 0.000 0.949 151 K CB 0.222 32.670 32.500 -0.087 0.000 0.726 151 K HN -0.081 nan 8.250 nan 0.000 0.443 152 V N 1.833 121.375 119.914 -0.620 0.000 2.828 152 V HA -0.221 3.899 4.120 -0.000 0.000 0.260 152 V C 1.973 177.901 176.094 -0.276 0.000 1.101 152 V CA 1.355 63.255 62.300 -0.666 0.000 1.123 152 V CB -0.344 30.971 31.823 -0.847 0.000 0.704 152 V HN 0.334 nan 8.190 nan 0.000 0.493 153 L N -1.167 119.921 121.223 -0.225 0.000 2.253 153 L HA 0.045 4.385 4.340 -0.000 0.000 0.205 153 L C 2.631 179.453 176.870 -0.079 0.000 1.078 153 L CA 0.752 55.517 54.840 -0.124 0.000 0.805 153 L CB -0.409 41.585 42.059 -0.108 0.000 0.963 153 L HN 0.134 nan 8.230 nan 0.000 0.459 154 R N -0.303 120.152 120.500 -0.075 0.000 2.159 154 R HA -0.039 4.301 4.340 -0.000 0.000 0.237 154 R C 0.465 176.762 176.300 -0.005 0.000 1.131 154 R CA 0.504 56.584 56.100 -0.032 0.000 0.982 154 R CB -0.131 30.157 30.300 -0.020 0.000 0.868 154 R HN 0.213 nan 8.270 nan 0.000 0.453 155 S N -0.608 115.094 115.700 0.004 0.000 2.541 155 S HA 0.264 4.734 4.470 -0.000 0.000 0.283 155 S C 0.496 175.101 174.600 0.008 0.000 1.196 155 S CA -0.725 57.501 58.200 0.043 0.000 1.062 155 S CB 1.895 65.175 63.200 0.134 0.000 1.009 155 S HN 0.359 nan 8.310 nan 0.000 0.502 156 G N 1.476 110.282 108.800 0.010 0.000 3.022 156 G HA2 0.377 4.337 3.960 -0.000 0.000 0.246 156 G HA3 0.377 4.337 3.960 -0.000 0.000 0.246 156 G C 0.129 175.008 174.900 -0.034 0.000 0.859 156 G CA 0.213 45.306 45.100 -0.013 0.000 1.941 156 G HN 0.859 nan 8.290 nan 0.000 0.589 157 A N 0.683 123.470 122.820 -0.054 0.000 2.479 157 A HA 0.739 5.059 4.320 -0.000 0.000 0.296 157 A C -0.324 177.167 177.584 -0.155 0.000 1.121 157 A CA -0.965 51.013 52.037 -0.099 0.000 0.743 157 A CB 1.386 20.372 19.000 -0.024 0.000 1.323 157 A HN 0.259 nan 8.150 nan 0.000 0.415 158 N N 0.341 118.865 118.700 -0.294 0.000 2.473 158 N HA 0.466 5.206 4.740 -0.000 0.000 0.291 158 N C -1.610 173.865 175.510 -0.058 0.000 1.083 158 N CA 0.045 52.922 53.050 -0.288 0.000 0.951 158 N CB 1.539 39.592 38.487 -0.723 0.000 1.164 158 N HN 0.528 nan 8.380 nan 0.000 0.480 159 F N 1.905 121.784 119.950 -0.120 0.000 2.420 159 F HA 0.389 4.916 4.527 -0.000 0.000 0.342 159 F C -0.493 175.334 175.800 0.044 0.000 1.113 159 F CA -0.836 57.126 58.000 -0.063 0.000 1.059 159 F CB 0.932 39.860 39.000 -0.120 0.000 1.128 159 F HN 0.076 nan 8.300 nan 0.000 0.475 160 V N 6.522 126.021 119.914 -0.692 0.000 2.325 160 V HA 0.128 4.248 4.120 -0.000 0.000 0.280 160 V C -0.342 175.216 176.094 -0.893 0.000 1.016 160 V CA -0.766 61.227 62.300 -0.511 0.000 0.818 160 V CB 0.604 32.333 31.823 -0.157 0.000 1.019 160 V HN 0.666 nan 8.190 nan 0.000 0.434 161 H N 4.051 122.591 119.070 -0.884 0.000 3.017 161 H HA 0.578 5.134 4.556 0.000 0.000 0.276 161 H C 0.223 175.404 175.328 -0.244 0.000 1.062 161 H CA 1.135 56.851 56.048 -0.554 0.000 1.486 161 H CB 0.819 30.505 29.762 -0.128 0.000 1.507 161 H HN 0.804 nan 8.280 nan 0.000 0.508 162 G N 3.541 112.269 108.800 -0.120 0.000 2.430 162 G HA2 0.149 4.109 3.960 -0.000 0.000 0.300 162 G HA3 0.149 4.109 3.960 -0.000 0.000 0.300 162 G C -1.663 173.198 174.900 -0.065 0.000 1.330 162 G CA -0.799 44.308 45.100 0.012 0.000 0.813 162 G HN 0.555 nan 8.290 nan 0.000 0.487 163 D N 0.142 120.524 120.400 -0.030 0.000 2.349 163 D HA 0.500 5.140 4.640 -0.000 0.000 0.232 163 D C -1.034 175.234 176.300 -0.054 0.000 1.071 163 D CA -2.235 51.739 54.000 -0.045 0.000 0.832 163 D CB 2.188 42.965 40.800 -0.038 0.000 1.086 163 D HN 0.081 nan 8.370 nan 0.000 0.504 164 P HA -0.100 nan 4.420 nan 0.000 0.234 164 P C 0.563 177.824 177.300 -0.066 0.000 1.162 164 P CA 0.720 63.795 63.100 -0.042 0.000 0.759 164 P CB 0.284 31.973 31.700 -0.018 0.000 0.813 165 T N -1.541 112.939 114.554 -0.122 0.000 3.037 165 T HA 0.061 4.411 4.350 -0.000 0.000 0.252 165 T C 1.057 175.641 174.700 -0.192 0.000 1.073 165 T CA 0.048 61.997 62.100 -0.252 0.000 1.091 165 T CB 0.063 68.659 68.868 -0.454 0.000 0.935 165 T HN 0.101 nan 8.240 nan 0.000 0.488 166 R N 1.779 122.214 120.500 -0.108 0.000 2.216 166 R HA 0.299 4.639 4.340 -0.000 0.000 0.332 166 R C 1.013 177.298 176.300 -0.025 0.000 1.056 166 R CA -0.209 55.859 56.100 -0.053 0.000 0.901 166 R CB 0.591 30.868 30.300 -0.038 0.000 1.039 166 R HN -0.005 nan 8.270 nan 0.000 0.456 167 V N 2.842 122.754 119.914 -0.003 0.000 2.380 167 V HA -0.331 3.789 4.120 -0.000 0.000 0.251 167 V C 2.268 178.357 176.094 -0.007 0.000 1.063 167 V CA 2.370 64.671 62.300 0.002 0.000 1.055 167 V CB -0.539 31.293 31.823 0.014 0.000 0.657 167 V HN 0.951 nan 8.190 nan 0.000 0.455 168 S N 0.019 115.715 115.700 -0.007 0.000 2.383 168 S HA -0.275 4.195 4.470 -0.000 0.000 0.229 168 S C 1.625 176.215 174.600 -0.017 0.000 1.030 168 S CA 1.841 60.035 58.200 -0.010 0.000 1.002 168 S CB -0.506 62.689 63.200 -0.008 0.000 0.829 168 S HN 0.645 nan 8.310 nan 0.000 0.467 169 D N 1.245 121.634 120.400 -0.019 0.000 2.249 169 D HA 0.165 4.805 4.640 -0.000 0.000 0.205 169 D C 2.000 178.280 176.300 -0.034 0.000 0.962 169 D CA 0.433 54.418 54.000 -0.026 0.000 0.860 169 D CB -0.240 40.546 40.800 -0.024 0.000 0.955 169 D HN 0.358 nan 8.370 nan 0.000 0.505 170 L N 1.088 122.294 121.223 -0.029 0.000 2.046 170 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 170 L C 2.254 179.103 176.870 -0.034 0.000 1.077 170 L CA 1.227 56.050 54.840 -0.029 0.000 0.747 170 L CB -0.267 41.781 42.059 -0.017 0.000 0.896 170 L HN 0.015 nan 8.230 nan 0.000 0.432 171 E N -0.113 120.070 120.200 -0.028 0.000 2.204 171 E HA -0.228 4.122 4.350 -0.000 0.000 0.195 171 E C 2.008 178.581 176.600 -0.044 0.000 0.990 171 E CA 0.755 57.136 56.400 -0.032 0.000 0.821 171 E CB -0.004 29.681 29.700 -0.024 0.000 0.750 171 E HN 0.426 nan 8.360 nan 0.000 0.477 172 K N 0.211 120.585 120.400 -0.043 0.000 2.280 172 K HA -0.075 4.245 4.320 -0.000 0.000 0.202 172 K C 1.597 178.156 176.600 -0.069 0.000 1.047 172 K CA 0.922 57.181 56.287 -0.048 0.000 0.942 172 K CB 0.106 32.581 32.500 -0.042 0.000 0.739 172 K HN 0.019 nan 8.250 nan 0.000 0.457 173 A N 0.939 123.712 122.820 -0.079 0.000 2.390 173 A HA 0.024 4.344 4.320 -0.000 0.000 0.232 173 A C 0.190 177.693 177.584 -0.134 0.000 1.233 173 A CA -0.332 51.629 52.037 -0.125 0.000 0.907 173 A CB 0.026 18.978 19.000 -0.080 0.000 0.967 173 A HN 0.389 nan 8.150 nan 0.000 0.512 174 N N 0.116 118.767 118.700 -0.081 0.000 2.614 174 N HA -0.143 4.597 4.740 -0.000 0.000 0.276 174 N C 0.597 176.130 175.510 0.039 0.000 1.119 174 N CA 0.682 53.710 53.050 -0.036 0.000 0.742 174 N CB -1.023 37.409 38.487 -0.091 0.000 0.900 174 N HN 0.150 nan 8.380 nan 0.000 0.549 175 V N 2.613 122.526 119.914 -0.002 0.000 2.548 175 V HA -0.182 3.938 4.120 -0.000 0.000 0.249 175 V C 2.430 178.540 176.094 0.027 0.000 1.055 175 V CA 2.021 64.320 62.300 -0.001 0.000 1.065 175 V CB -0.250 31.564 31.823 -0.014 0.000 0.681 175 V HN 0.525 nan 8.190 nan 0.000 0.462 176 R N 0.619 121.129 120.500 0.017 0.000 2.119 176 R HA -0.175 4.165 4.340 -0.000 0.000 0.246 176 R C 2.195 178.512 176.300 0.028 0.000 1.146 176 R CA 1.758 57.866 56.100 0.012 0.000 0.962 176 R CB -0.679 29.618 30.300 -0.004 0.000 0.863 176 R HN 0.572 nan 8.270 nan 0.000 0.442 177 G N -0.137 108.693 108.800 0.051 0.000 3.088 177 G HA2 0.255 4.215 3.960 -0.000 0.000 0.217 177 G HA3 0.255 4.215 3.960 -0.000 0.000 0.217 177 G C 0.114 175.135 174.900 0.202 0.000 1.159 177 G CA 0.096 45.232 45.100 0.060 0.000 0.760 177 G HN 0.368 nan 8.290 nan 0.000 0.550 178 A N 0.701 123.653 122.820 0.220 0.000 2.524 178 A HA 0.329 4.649 4.320 -0.000 0.000 0.250 178 A C 1.598 179.229 177.584 0.079 0.000 1.078 178 A CA -0.035 52.057 52.037 0.090 0.000 0.761 178 A CB 0.189 19.137 19.000 -0.086 0.000 1.012 178 A HN 0.391 nan 8.150 nan 0.000 0.500 179 R N 1.746 122.302 120.500 0.094 0.000 2.105 179 R HA 0.049 4.389 4.340 -0.000 0.000 0.239 179 R C 0.454 176.772 176.300 0.031 0.000 1.135 179 R CA 1.652 57.791 56.100 0.066 0.000 0.967 179 R CB -0.103 30.240 30.300 0.073 0.000 0.861 179 R HN 1.134 nan 8.270 nan 0.000 0.442 180 A N -0.894 121.930 122.820 0.008 0.000 2.590 180 A HA 0.454 4.774 4.320 -0.000 0.000 0.294 180 A C -1.577 175.995 177.584 -0.019 0.000 1.046 180 A CA -0.783 51.254 52.037 -0.000 0.000 0.684 180 A CB 1.587 20.592 19.000 0.008 0.000 1.279 180 A HN -0.020 nan 8.150 nan 0.000 0.415 181 V N 2.024 121.929 119.914 -0.014 0.000 2.459 181 V HA 0.532 4.652 4.120 -0.000 0.000 0.295 181 V C -0.218 175.874 176.094 -0.004 0.000 1.029 181 V CA -0.320 61.970 62.300 -0.017 0.000 0.874 181 V CB 1.471 33.284 31.823 -0.016 0.000 0.985 181 V HN 0.684 nan 8.190 nan 0.000 0.438 182 I N 4.470 125.041 120.570 0.003 0.000 2.336 182 I HA 0.504 4.674 4.170 -0.000 0.000 0.292 182 I C -0.685 175.438 176.117 0.010 0.000 0.991 182 I CA -0.623 60.681 61.300 0.006 0.000 1.227 182 I CB 1.862 39.869 38.000 0.012 0.000 1.366 182 I HN 0.291 nan 8.210 nan 0.000 0.466 183 V N 5.048 124.963 119.914 0.002 0.000 2.531 183 V HA 0.417 4.537 4.120 -0.000 0.000 0.301 183 V C -1.011 175.078 176.094 -0.008 0.000 1.034 183 V CA -0.376 61.926 62.300 0.004 0.000 0.865 183 V CB 1.966 33.792 31.823 0.005 0.000 0.995 183 V HN 0.700 nan 8.190 nan 0.000 0.424 184 D N 4.477 124.875 120.400 -0.003 0.000 2.319 184 D HA 0.439 5.079 4.640 -0.000 0.000 0.237 184 D C -0.883 175.415 176.300 -0.004 0.000 1.353 184 D CA -0.186 53.801 54.000 -0.022 0.000 0.992 184 D CB 0.797 41.568 40.800 -0.049 0.000 1.368 184 D HN 0.348 nan 8.370 nan 0.000 0.564 185 L N 1.872 123.095 121.223 -0.001 0.000 2.376 185 L HA 0.491 4.831 4.340 -0.000 0.000 0.267 185 L C 1.779 178.653 176.870 0.006 0.000 1.035 185 L CA -0.937 53.910 54.840 0.012 0.000 0.800 185 L CB 1.003 43.071 42.059 0.014 0.000 1.290 185 L HN 0.318 nan 8.230 nan 0.000 0.462 186 E N 0.292 120.502 120.200 0.017 0.000 2.209 186 E HA -0.117 4.233 4.350 -0.000 0.000 0.196 186 E C 0.117 176.728 176.600 0.019 0.000 0.993 186 E CA 1.169 57.580 56.400 0.019 0.000 0.819 186 E CB 0.100 29.817 29.700 0.027 0.000 0.745 186 E HN 0.592 nan 8.360 nan 0.000 0.477 187 S N -0.105 115.606 115.700 0.017 0.000 2.547 187 S HA 0.196 4.666 4.470 -0.000 0.000 0.281 187 S C 0.051 174.660 174.600 0.015 0.000 1.118 187 S CA -0.961 57.251 58.200 0.019 0.000 0.947 187 S CB 2.057 65.273 63.200 0.027 0.000 1.053 187 S HN -0.201 nan 8.310 nan 0.000 0.482 188 D N 2.509 122.913 120.400 0.007 0.000 2.191 188 D HA -0.129 4.511 4.640 -0.000 0.000 0.195 188 D C 1.790 178.099 176.300 0.015 0.000 1.003 188 D CA 1.801 55.802 54.000 0.001 0.000 0.867 188 D CB -0.330 40.466 40.800 -0.007 0.000 0.926 188 D HN 0.586 nan 8.370 nan 0.000 0.450 189 S N 0.731 116.446 115.700 0.024 0.000 2.351 189 S HA -0.185 4.285 4.470 -0.000 0.000 0.220 189 S C 1.832 176.476 174.600 0.072 0.000 1.035 189 S CA 1.097 59.320 58.200 0.039 0.000 1.031 189 S CB -0.284 62.940 63.200 0.040 0.000 0.928 189 S HN 0.423 nan 8.310 nan 0.000 0.433 190 E N 0.477 120.716 120.200 0.065 0.000 2.160 190 E HA -0.126 4.224 4.350 -0.000 0.000 0.195 190 E C 2.146 178.790 176.600 0.075 0.000 0.991 190 E CA 1.455 57.898 56.400 0.073 0.000 0.810 190 E CB -0.399 29.318 29.700 0.027 0.000 0.742 190 E HN 0.437 nan 8.360 nan 0.000 0.466 191 T N 1.719 116.300 114.554 0.046 0.000 2.737 191 T HA -0.112 4.238 4.350 -0.000 0.000 0.265 191 T C 1.900 176.631 174.700 0.051 0.000 1.038 191 T CA 0.745 62.866 62.100 0.035 0.000 1.144 191 T CB -0.088 68.785 68.868 0.009 0.000 0.866 191 T HN 0.061 nan 8.240 nan 0.000 0.434 192 I N 1.289 121.885 120.570 0.044 0.000 2.185 192 I HA -0.220 3.950 4.170 -0.000 0.000 0.246 192 I C 2.307 178.461 176.117 0.061 0.000 1.088 192 I CA 1.582 62.901 61.300 0.031 0.000 1.347 192 I CB -1.366 36.639 38.000 0.008 0.000 1.041 192 I HN 0.358 nan 8.210 nan 0.000 0.415 193 H N 0.722 119.788 119.070 -0.006 0.000 2.253 193 H HA -0.214 4.342 4.556 0.000 0.000 0.299 193 H C 2.585 177.911 175.328 -0.004 0.000 1.064 193 H CA 2.270 58.315 56.048 -0.004 0.000 1.264 193 H CB -0.630 29.131 29.762 -0.001 0.000 1.371 193 H HN 0.406 nan 8.280 nan 0.000 0.493 194 C N 0.945 120.358 119.300 0.189 0.000 2.382 194 C HA -0.208 4.252 4.460 -0.000 0.000 0.274 194 C C 3.082 178.115 174.990 0.072 0.000 1.180 194 C CA 1.403 60.471 59.018 0.083 0.000 1.799 194 C CB -1.536 26.223 27.740 0.031 0.000 2.094 194 C HN 0.557 nan 8.230 nan 0.000 0.468 195 I N 0.244 120.850 120.570 0.059 0.000 2.076 195 I HA -0.229 3.941 4.170 -0.000 0.000 0.237 195 I C 2.613 178.751 176.117 0.035 0.000 1.059 195 I CA 1.939 63.259 61.300 0.034 0.000 1.317 195 I CB -0.645 37.367 38.000 0.019 0.000 1.037 195 I HN 0.375 nan 8.210 nan 0.000 0.398 196 L N 0.588 121.832 121.223 0.035 0.000 2.034 196 L HA -0.256 4.084 4.340 -0.000 0.000 0.217 196 L C 2.691 179.585 176.870 0.039 0.000 1.077 196 L CA 1.870 56.721 54.840 0.019 0.000 0.769 196 L CB -1.495 40.554 42.059 -0.016 0.000 0.890 196 L HN 0.417 nan 8.230 nan 0.000 0.435 197 G N 0.408 109.258 108.800 0.084 0.000 2.514 197 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 197 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 197 G C 1.517 176.439 174.900 0.037 0.000 1.198 197 G CA 1.154 46.299 45.100 0.076 0.000 0.780 197 G HN 0.311 nan 8.290 nan 0.000 0.565 198 I N 0.079 120.666 120.570 0.029 0.000 2.091 198 I HA -0.242 3.928 4.170 -0.000 0.000 0.239 198 I C 3.075 179.199 176.117 0.012 0.000 1.061 198 I CA 1.277 62.585 61.300 0.014 0.000 1.317 198 I CB -0.333 37.673 38.000 0.010 0.000 1.031 198 I HN 0.052 nan 8.210 nan 0.000 0.401 199 R N 1.069 121.576 120.500 0.012 0.000 2.133 199 R HA -0.256 4.084 4.340 -0.000 0.000 0.245 199 R C 2.119 178.424 176.300 0.007 0.000 1.137 199 R CA 1.549 57.653 56.100 0.007 0.000 0.947 199 R CB -0.967 29.336 30.300 0.005 0.000 0.865 199 R HN 0.392 nan 8.270 nan 0.000 0.437 200 K N 0.360 120.766 120.400 0.010 0.000 2.444 200 K HA -0.138 4.182 4.320 -0.000 0.000 0.200 200 K C 1.655 178.259 176.600 0.007 0.000 1.045 200 K CA 1.078 57.370 56.287 0.009 0.000 0.934 200 K CB 0.058 32.567 32.500 0.016 0.000 0.756 200 K HN 0.211 nan 8.250 nan 0.000 0.477 201 I N -1.387 119.186 120.570 0.006 0.000 4.049 201 I HA 0.006 4.176 4.170 -0.000 0.000 0.237 201 I C 0.510 176.629 176.117 0.002 0.000 1.076 201 I CA -0.331 60.970 61.300 0.003 0.000 1.610 201 I CB 0.139 38.139 38.000 0.001 0.000 1.544 201 I HN -0.044 nan 8.210 nan 0.000 0.458 202 D N 2.305 122.707 120.400 0.003 0.000 2.454 202 D HA 0.073 4.713 4.640 -0.000 0.000 0.225 202 D C 0.181 176.484 176.300 0.004 0.000 1.081 202 D CA -0.155 53.848 54.000 0.004 0.000 0.864 202 D CB 1.054 41.858 40.800 0.006 0.000 1.040 202 D HN 0.414 nan 8.370 nan 0.000 0.517 203 E N 1.250 121.452 120.200 0.003 0.000 2.382 203 E HA 0.055 4.405 4.350 -0.000 0.000 0.190 203 E C 0.294 176.896 176.600 0.003 0.000 1.125 203 E CA -0.010 56.392 56.400 0.003 0.000 0.929 203 E CB 0.281 29.982 29.700 0.002 0.000 1.053 203 E HN 0.016 nan 8.360 nan 0.000 0.475 204 S N -0.119 115.584 115.700 0.005 0.000 2.817 204 S HA 0.132 4.602 4.470 -0.000 0.000 0.262 204 S C 0.185 174.789 174.600 0.008 0.000 1.051 204 S CA -0.465 57.739 58.200 0.006 0.000 1.185 204 S CB 1.005 64.209 63.200 0.006 0.000 1.152 204 S HN 0.111 nan 8.310 nan 0.000 0.653 205 V N 3.078 122.996 119.914 0.008 0.000 2.763 205 V HA 0.155 4.275 4.120 -0.000 0.000 0.306 205 V C 0.745 176.844 176.094 0.007 0.000 1.059 205 V CA -0.021 62.285 62.300 0.009 0.000 1.138 205 V CB 0.333 32.160 31.823 0.008 0.000 0.940 205 V HN 0.346 nan 8.190 nan 0.000 0.489 206 R N 4.595 125.100 120.500 0.009 0.000 2.351 206 R HA 0.333 4.673 4.340 -0.000 0.000 0.318 206 R C -0.726 175.576 176.300 0.004 0.000 1.055 206 R CA -0.064 56.040 56.100 0.007 0.000 0.968 206 R CB 0.081 30.387 30.300 0.010 0.000 0.974 206 R HN 0.677 nan 8.270 nan 0.000 0.439 207 I N 6.750 127.322 120.570 0.002 0.000 2.354 207 I HA 0.296 4.466 4.170 -0.000 0.000 0.292 207 I C -0.193 175.924 176.117 -0.001 0.000 0.989 207 I CA -0.771 60.529 61.300 0.000 0.000 1.188 207 I CB 1.630 39.630 38.000 0.001 0.000 1.342 207 I HN 0.573 nan 8.210 nan 0.000 0.457 208 I N 6.044 126.613 120.570 -0.003 0.000 2.418 208 I HA 0.609 4.779 4.170 -0.000 0.000 0.287 208 I C -0.169 175.942 176.117 -0.010 0.000 1.008 208 I CA -0.428 60.868 61.300 -0.006 0.000 1.104 208 I CB 1.831 39.828 38.000 -0.005 0.000 1.264 208 I HN 0.558 nan 8.210 nan 0.000 0.438 209 A N 5.142 127.953 122.820 -0.015 0.000 2.380 209 A HA 0.666 4.986 4.320 -0.000 0.000 0.315 209 A C -0.785 176.777 177.584 -0.037 0.000 1.101 209 A CA -0.587 51.437 52.037 -0.022 0.000 0.771 209 A CB 1.777 20.766 19.000 -0.017 0.000 1.287 209 A HN 0.763 nan 8.150 nan 0.000 0.436 210 E N 1.092 121.260 120.200 -0.053 0.000 2.231 210 E HA 0.635 4.985 4.350 -0.000 0.000 0.277 210 E C -0.432 176.111 176.600 -0.094 0.000 0.999 210 E CA -0.654 55.694 56.400 -0.086 0.000 0.827 210 E CB 1.436 31.069 29.700 -0.113 0.000 1.101 210 E HN 0.836 nan 8.360 nan 0.000 0.393 211 A N 4.068 126.821 122.820 -0.112 0.000 2.303 211 A HA 0.260 4.580 4.320 -0.000 0.000 0.320 211 A C 0.364 177.847 177.584 -0.169 0.000 1.192 211 A CA -0.641 51.338 52.037 -0.097 0.000 0.821 211 A CB 1.136 20.106 19.000 -0.051 0.000 1.188 211 A HN 0.820 nan 8.150 nan 0.000 0.492 212 E N 1.428 121.541 120.200 -0.145 0.000 2.216 212 E HA -0.020 4.330 4.350 -0.000 0.000 0.192 212 E C 0.126 176.698 176.600 -0.047 0.000 0.988 212 E CA 0.897 57.180 56.400 -0.194 0.000 0.834 212 E CB 0.214 29.874 29.700 -0.068 0.000 0.772 212 E HN 0.634 nan 8.360 nan 0.000 0.479 213 R N -0.133 120.375 120.500 0.013 0.000 2.621 213 R HA 0.163 4.503 4.340 -0.000 0.000 0.292 213 R C 0.325 176.685 176.300 0.100 0.000 0.969 213 R CA -0.502 55.652 56.100 0.090 0.000 0.887 213 R CB 1.142 31.489 30.300 0.078 0.000 1.180 213 R HN -0.065 nan 8.270 nan 0.000 0.450 214 Y N 2.776 123.092 120.300 0.026 0.000 2.181 214 Y HA -0.254 4.296 4.550 -0.000 0.000 0.284 214 Y C 1.064 176.969 175.900 0.008 0.000 1.179 214 Y CA 2.118 60.227 58.100 0.015 0.000 1.179 214 Y CB 0.190 38.666 38.460 0.027 0.000 0.973 214 Y HN 0.651 nan 8.280 nan 0.000 0.519 215 E N -0.561 119.564 120.200 -0.125 0.000 2.510 215 E HA -0.149 4.201 4.350 -0.000 0.000 0.202 215 E C 0.818 177.317 176.600 -0.168 0.000 1.072 215 E CA 0.807 57.083 56.400 -0.205 0.000 0.883 215 E CB -0.155 29.505 29.700 -0.066 0.000 0.818 215 E HN 0.533 nan 8.360 nan 0.000 0.548 216 N N 0.094 118.719 118.700 -0.125 0.000 2.171 216 N HA 0.158 4.898 4.740 -0.000 0.000 0.212 216 N C 1.319 176.775 175.510 -0.090 0.000 1.184 216 N CA 0.012 53.009 53.050 -0.089 0.000 0.888 216 N CB 0.505 38.964 38.487 -0.046 0.000 1.038 216 N HN 0.176 nan 8.380 nan 0.000 0.517 217 I N 1.058 121.555 120.570 -0.123 0.000 2.264 217 I HA -0.253 3.917 4.170 -0.000 0.000 0.248 217 I C 2.332 178.405 176.117 -0.072 0.000 1.111 217 I CA 1.393 62.645 61.300 -0.079 0.000 1.382 217 I CB -0.001 37.962 38.000 -0.062 0.000 1.060 217 I HN 0.185 nan 8.210 nan 0.000 0.418 218 E N 0.640 120.781 120.200 -0.099 0.000 2.046 218 E HA -0.240 4.110 4.350 -0.000 0.000 0.190 218 E C 2.226 178.794 176.600 -0.053 0.000 0.982 218 E CA 1.003 57.361 56.400 -0.071 0.000 0.800 218 E CB 0.124 29.774 29.700 -0.082 0.000 0.756 218 E HN 0.430 nan 8.360 nan 0.000 0.449 219 Q N 0.498 120.263 119.800 -0.058 0.000 2.135 219 Q HA -0.130 4.210 4.340 -0.000 0.000 0.204 219 Q C 2.165 178.145 176.000 -0.034 0.000 0.981 219 Q CA 1.026 56.803 55.803 -0.043 0.000 0.856 219 Q CB -0.127 28.585 28.738 -0.043 0.000 0.902 219 Q HN 0.294 nan 8.270 nan 0.000 0.425 220 L N -0.078 121.124 121.223 -0.035 0.000 2.131 220 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 220 L C 2.349 179.206 176.870 -0.021 0.000 1.092 220 L CA 1.203 56.028 54.840 -0.026 0.000 0.759 220 L CB -0.066 41.976 42.059 -0.028 0.000 0.903 220 L HN 0.206 nan 8.230 nan 0.000 0.435 221 R N -0.910 119.576 120.500 -0.023 0.000 2.055 221 R HA -0.045 4.295 4.340 -0.000 0.000 0.226 221 R C 2.284 178.574 176.300 -0.017 0.000 1.135 221 R CA 1.168 57.257 56.100 -0.018 0.000 0.959 221 R CB -0.288 30.001 30.300 -0.017 0.000 0.854 221 R HN 0.317 nan 8.270 nan 0.000 0.431 222 M N 0.583 120.171 119.600 -0.021 0.000 2.088 222 M HA -0.212 4.268 4.480 -0.000 0.000 0.256 222 M C 2.527 178.816 176.300 -0.018 0.000 1.071 222 M CA 2.089 57.376 55.300 -0.020 0.000 1.097 222 M CB -0.667 31.918 32.600 -0.025 0.000 1.315 222 M HN 0.193 nan 8.290 nan 0.000 0.406 223 A N -0.362 122.446 122.820 -0.020 0.000 2.084 223 A HA 0.033 4.353 4.320 -0.000 0.000 0.221 223 A C 1.904 179.482 177.584 -0.010 0.000 1.161 223 A CA 1.903 53.929 52.037 -0.017 0.000 0.653 223 A CB -0.830 18.161 19.000 -0.015 0.000 0.802 223 A HN 0.797 nan 8.150 nan 0.000 0.457 224 G N -3.446 105.349 108.800 -0.009 0.000 2.234 224 G HA2 0.288 4.248 3.960 -0.000 0.000 0.153 224 G HA3 0.288 4.248 3.960 -0.000 0.000 0.153 224 G C 0.255 175.153 174.900 -0.003 0.000 1.013 224 G CA 0.077 45.174 45.100 -0.005 0.000 0.712 224 G HN 1.424 nan 8.290 nan 0.000 0.491 225 A N 0.389 123.206 122.820 -0.005 0.000 2.462 225 A HA 0.563 4.883 4.320 -0.000 0.000 0.243 225 A C 1.077 178.659 177.584 -0.004 0.000 1.076 225 A CA 0.819 52.853 52.037 -0.005 0.000 0.773 225 A CB 0.371 19.367 19.000 -0.008 0.000 1.010 225 A HN 0.160 nan 8.150 nan 0.000 0.493 226 D N -0.010 120.389 120.400 -0.002 0.000 2.259 226 D HA 0.039 4.679 4.640 -0.000 0.000 0.216 226 D C 0.463 176.763 176.300 -0.000 0.000 0.961 226 D CA 1.134 55.134 54.000 -0.000 0.000 0.878 226 D CB 0.325 41.127 40.800 0.002 0.000 1.009 226 D HN 0.633 nan 8.370 nan 0.000 0.490 227 Q N 0.661 120.460 119.800 -0.002 0.000 2.337 227 Q HA 0.436 4.776 4.340 -0.000 0.000 0.270 227 Q C -1.581 174.416 176.000 -0.006 0.000 1.043 227 Q CA -0.501 55.301 55.803 -0.002 0.000 0.794 227 Q CB 2.515 31.252 28.738 -0.001 0.000 1.281 227 Q HN -0.246 nan 8.270 nan 0.000 0.446 228 V N 5.235 125.146 119.914 -0.005 0.000 2.540 228 V HA 0.588 4.708 4.120 -0.000 0.000 0.302 228 V C -0.441 175.647 176.094 -0.010 0.000 1.035 228 V CA -0.619 61.675 62.300 -0.010 0.000 0.873 228 V CB 1.742 33.561 31.823 -0.007 0.000 0.992 228 V HN 0.776 nan 8.190 nan 0.000 0.428 229 I N 2.934 123.488 120.570 -0.026 0.000 2.436 229 I HA 0.419 4.589 4.170 -0.000 0.000 0.289 229 I C -0.111 175.971 176.117 -0.058 0.000 1.010 229 I CA -0.184 61.096 61.300 -0.032 0.000 1.098 229 I CB 2.274 40.251 38.000 -0.039 0.000 1.266 229 I HN 0.546 nan 8.210 nan 0.000 0.434 230 S N 7.758 123.433 115.700 -0.041 0.000 2.252 230 S HA 0.217 4.687 4.470 -0.000 0.000 0.180 230 S C -1.517 173.038 174.600 -0.073 0.000 1.534 230 S CA -1.135 57.023 58.200 -0.071 0.000 1.141 230 S CB 0.399 63.610 63.200 0.018 0.000 1.122 230 S HN 0.527 nan 8.310 nan 0.000 0.475 231 P HA -0.239 nan 4.420 nan 0.000 0.219 231 P C 1.023 178.438 177.300 0.193 0.000 1.153 231 P CA 1.660 64.744 63.100 -0.027 0.000 0.865 231 P CB -0.123 31.517 31.700 -0.100 0.000 0.788 232 F N -0.804 119.144 119.950 -0.003 0.000 2.259 232 F HA -0.095 4.432 4.527 -0.000 0.000 0.298 232 F C 2.533 178.323 175.800 -0.017 0.000 1.088 232 F CA 0.079 58.075 58.000 -0.007 0.000 1.358 232 F CB -0.618 38.384 39.000 0.002 0.000 1.040 232 F HN -0.257 nan 8.300 nan 0.000 0.505 233 V N 0.843 120.851 119.914 0.157 0.000 2.358 233 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 233 V C 2.190 178.301 176.094 0.028 0.000 1.047 233 V CA 1.453 63.780 62.300 0.044 0.000 1.035 233 V CB -0.471 31.344 31.823 -0.013 0.000 0.658 233 V HN 0.283 nan 8.190 nan 0.000 0.452 234 I N 0.062 120.659 120.570 0.045 0.000 2.099 234 I HA -0.276 3.894 4.170 -0.000 0.000 0.239 234 I C 2.789 178.929 176.117 0.038 0.000 1.066 234 I CA 1.984 63.303 61.300 0.033 0.000 1.324 234 I CB -0.663 37.357 38.000 0.032 0.000 1.037 234 I HN 0.358 nan 8.210 nan 0.000 0.401 235 S N 0.848 116.589 115.700 0.069 0.000 2.372 235 S HA -0.212 4.258 4.470 -0.000 0.000 0.227 235 S C 2.083 176.692 174.600 0.016 0.000 1.044 235 S CA 1.999 60.227 58.200 0.048 0.000 1.050 235 S CB -0.894 62.350 63.200 0.074 0.000 0.901 235 S HN 0.586 nan 8.310 nan 0.000 0.447 236 G N 1.356 110.167 108.800 0.019 0.000 2.480 236 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.216 236 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.216 236 G C 1.536 176.426 174.900 -0.016 0.000 1.200 236 G CA 0.896 45.990 45.100 -0.010 0.000 0.782 236 G HN 0.581 nan 8.290 nan 0.000 0.554 237 R N -0.101 120.389 120.500 -0.017 0.000 2.094 237 R HA -0.015 4.325 4.340 -0.000 0.000 0.239 237 R C 2.719 179.014 176.300 -0.008 0.000 1.137 237 R CA 1.334 57.422 56.100 -0.020 0.000 0.943 237 R CB -0.712 29.574 30.300 -0.024 0.000 0.850 237 R HN 0.310 nan 8.270 nan 0.000 0.433 238 L N 0.290 121.514 121.223 0.001 0.000 2.051 238 L HA -0.289 4.051 4.340 -0.000 0.000 0.214 238 L C 2.607 179.472 176.870 -0.007 0.000 1.076 238 L CA 1.516 56.360 54.840 0.005 0.000 0.758 238 L CB -0.401 41.664 42.059 0.011 0.000 0.890 238 L HN 0.323 nan 8.230 nan 0.000 0.433 239 M N -0.470 119.121 119.600 -0.014 0.000 2.126 239 M HA -0.237 4.243 4.480 -0.000 0.000 0.259 239 M C 2.656 178.942 176.300 -0.022 0.000 1.073 239 M CA 2.410 57.697 55.300 -0.023 0.000 1.103 239 M CB -0.581 32.002 32.600 -0.028 0.000 1.284 239 M HN 0.394 nan 8.290 nan 0.000 0.420 240 S N 0.279 115.966 115.700 -0.021 0.000 2.423 240 S HA -0.203 4.267 4.470 -0.000 0.000 0.238 240 S C 1.788 176.379 174.600 -0.015 0.000 1.028 240 S CA 1.465 59.653 58.200 -0.019 0.000 1.000 240 S CB -0.648 62.539 63.200 -0.021 0.000 0.797 240 S HN 0.465 nan 8.310 nan 0.000 0.487 241 R N 1.025 121.518 120.500 -0.011 0.000 2.297 241 R HA 0.164 4.504 4.340 -0.000 0.000 0.197 241 R C 1.436 177.731 176.300 -0.008 0.000 0.943 241 R CA 0.849 56.947 56.100 -0.004 0.000 1.038 241 R CB 0.006 30.309 30.300 0.005 0.000 0.957 241 R HN 0.681 nan 8.270 nan 0.000 0.484 242 S N -0.746 114.941 115.700 -0.021 0.000 2.575 242 S HA 0.204 4.674 4.470 -0.000 0.000 0.237 242 S C 1.409 175.984 174.600 -0.042 0.000 0.975 242 S CA -0.375 57.800 58.200 -0.041 0.000 0.960 242 S CB -0.016 63.153 63.200 -0.052 0.000 0.822 242 S HN 0.127 nan 8.310 nan 0.000 0.472 243 I N 2.808 123.361 120.570 -0.028 0.000 2.286 243 I HA -0.177 3.993 4.170 -0.000 0.000 0.245 243 I C 2.180 178.283 176.117 -0.024 0.000 1.104 243 I CA 1.651 62.936 61.300 -0.025 0.000 1.397 243 I CB -0.460 37.529 38.000 -0.018 0.000 1.072 243 I HN 0.471 nan 8.210 nan 0.000 0.417 244 D N 0.468 120.859 120.400 -0.015 0.000 1.966 244 D HA -0.081 4.559 4.640 -0.000 0.000 0.256 244 D C 0.310 176.601 176.300 -0.015 0.000 0.991 244 D CA 0.679 54.678 54.000 -0.002 0.000 0.928 244 D CB -0.189 40.621 40.800 0.017 0.000 1.166 244 D HN 0.024 nan 8.370 nan 0.000 0.469 245 D N -1.202 119.193 120.400 -0.009 0.000 2.350 245 D HA 0.378 5.018 4.640 -0.000 0.000 0.245 245 D C 0.146 176.323 176.300 -0.204 0.000 1.036 245 D CA -0.528 53.419 54.000 -0.089 0.000 0.848 245 D CB 1.876 42.778 40.800 0.169 0.000 1.307 245 D HN 0.456 nan 8.370 nan 0.000 0.469 246 G N 1.037 109.581 108.800 -0.426 0.000 3.496 246 G HA2 0.012 3.972 3.960 -0.000 0.000 0.273 246 G HA3 0.012 3.972 3.960 -0.000 0.000 0.273 246 G C 0.512 175.214 174.900 -0.329 0.000 1.279 246 G CA -0.014 44.899 45.100 -0.310 0.000 1.041 246 G HN 0.416 nan 8.290 nan 0.000 0.539 247 Y N 1.217 121.532 120.300 0.026 0.000 2.184 247 Y HA -0.126 4.424 4.550 0.000 0.000 0.290 247 Y C 2.851 178.795 175.900 0.073 0.000 1.129 247 Y CA 1.204 59.330 58.100 0.043 0.000 1.144 247 Y CB 0.042 38.514 38.460 0.021 0.000 0.995 247 Y HN 0.348 nan 8.280 nan 0.000 0.513 248 E N 0.927 121.237 120.200 0.183 0.000 2.097 248 E HA -0.265 4.085 4.350 -0.000 0.000 0.196 248 E C 2.134 178.824 176.600 0.149 0.000 1.000 248 E CA 1.637 58.121 56.400 0.140 0.000 0.804 248 E CB -0.749 28.999 29.700 0.081 0.000 0.740 248 E HN 0.465 nan 8.360 nan 0.000 0.454 249 A N 0.579 123.448 122.820 0.081 0.000 2.072 249 A HA 0.157 4.477 4.320 -0.000 0.000 0.216 249 A C 2.246 179.866 177.584 0.059 0.000 1.156 249 A CA 0.673 52.744 52.037 0.057 0.000 0.701 249 A CB -0.342 18.663 19.000 0.008 0.000 0.816 249 A HN 0.184 nan 8.150 nan 0.000 0.458 250 M N -1.904 117.741 119.600 0.076 0.000 2.254 250 M HA 0.009 4.489 4.480 -0.000 0.000 0.265 250 M C 1.872 178.247 176.300 0.125 0.000 1.066 250 M CA 1.192 56.537 55.300 0.075 0.000 1.123 250 M CB -0.200 32.450 32.600 0.083 0.000 1.388 250 M HN 0.576 nan 8.290 nan 0.000 0.425 251 F N 0.431 120.406 119.950 0.041 0.000 2.014 251 F HA -0.200 4.327 4.527 0.000 0.000 0.295 251 F C 2.020 177.831 175.800 0.019 0.000 1.145 251 F CA 1.733 59.755 58.000 0.036 0.000 1.178 251 F CB -0.841 38.182 39.000 0.038 0.000 0.972 251 F HN -0.200 nan 8.300 nan 0.000 0.476 252 V N 0.662 120.530 119.914 -0.077 0.000 2.278 252 V HA -0.413 3.707 4.120 -0.000 0.000 0.251 252 V C 2.449 178.430 176.094 -0.188 0.000 1.062 252 V CA 2.574 64.763 62.300 -0.185 0.000 1.038 252 V CB -0.957 30.862 31.823 -0.007 0.000 0.646 252 V HN 0.483 nan 8.190 nan 0.000 0.447 253 Q N -1.001 118.740 119.800 -0.099 0.000 2.079 253 Q HA -0.211 4.129 4.340 -0.000 0.000 0.200 253 Q C 2.069 178.009 176.000 -0.099 0.000 0.974 253 Q CA 1.786 57.541 55.803 -0.080 0.000 0.840 253 Q CB -0.157 28.557 28.738 -0.040 0.000 0.898 253 Q HN 0.654 nan 8.270 nan 0.000 0.430 254 D N -0.470 119.866 120.400 -0.105 0.000 2.117 254 D HA -0.116 4.524 4.640 -0.000 0.000 0.198 254 D C 1.837 178.051 176.300 -0.144 0.000 0.982 254 D CA 0.779 54.724 54.000 -0.091 0.000 0.828 254 D CB 0.068 40.844 40.800 -0.040 0.000 0.967 254 D HN 0.004 nan 8.370 nan 0.000 0.464 255 V N 0.684 120.427 119.914 -0.285 0.000 2.407 255 V HA -0.193 3.927 4.120 -0.000 0.000 0.248 255 V C 2.252 178.231 176.094 -0.190 0.000 1.055 255 V CA 1.175 63.287 62.300 -0.314 0.000 1.049 255 V CB -0.456 30.987 31.823 -0.633 0.000 0.662 255 V HN 0.276 nan 8.190 nan 0.000 0.455 256 L N -0.075 121.046 121.223 -0.171 0.000 2.552 256 L HA 0.229 4.569 4.340 -0.000 0.000 0.227 256 L C 1.161 177.988 176.870 -0.072 0.000 1.146 256 L CA 0.144 54.921 54.840 -0.106 0.000 0.858 256 L CB -0.412 41.592 42.059 -0.093 0.000 0.969 256 L HN 0.304 nan 8.230 nan 0.000 0.451 257 A N 0.355 123.132 122.820 -0.071 0.000 2.301 257 A HA 0.266 4.586 4.320 -0.000 0.000 0.298 257 A C 0.384 177.947 177.584 -0.035 0.000 1.185 257 A CA -0.496 51.513 52.037 -0.046 0.000 0.830 257 A CB 0.131 19.106 19.000 -0.041 0.000 1.112 257 A HN 0.322 nan 8.150 nan 0.000 0.508 258 E N 2.246 122.432 120.200 -0.024 0.000 3.057 258 E HA 0.072 4.422 4.350 -0.000 0.000 0.314 258 E C -0.341 176.252 176.600 -0.011 0.000 1.433 258 E CA 0.439 56.830 56.400 -0.015 0.000 1.546 258 E CB -0.331 29.363 29.700 -0.010 0.000 1.224 258 E HN 0.678 nan 8.360 nan 0.000 0.483 259 E N -0.292 119.901 120.200 -0.013 0.000 2.433 259 E HA 0.218 4.568 4.350 -0.000 0.000 0.273 259 E C 0.024 176.623 176.600 -0.002 0.000 0.950 259 E CA -0.477 55.920 56.400 -0.006 0.000 0.796 259 E CB 1.793 31.489 29.700 -0.006 0.000 1.330 259 E HN 0.182 nan 8.360 nan 0.000 0.455 260 S N -0.658 115.045 115.700 0.005 0.000 3.261 260 S HA -0.295 4.175 4.470 -0.000 0.000 0.287 260 S C 0.834 175.443 174.600 0.014 0.000 1.281 260 S CA 1.803 60.010 58.200 0.012 0.000 1.053 260 S CB -2.171 61.039 63.200 0.017 0.000 1.251 260 S HN 0.866 nan 8.310 nan 0.000 0.659 261 T N 0.236 114.796 114.554 0.011 0.000 12.940 261 T HA -0.293 4.057 4.350 -0.000 0.000 0.419 261 T C 0.335 175.044 174.700 0.015 0.000 1.444 261 T CA 1.761 63.869 62.100 0.013 0.000 2.373 261 T CB -1.344 67.533 68.868 0.016 0.000 2.821 261 T HN 0.986 nan 8.240 nan 0.000 0.696 262 R N 3.095 123.608 120.500 0.021 0.000 2.478 262 R HA 0.145 4.485 4.340 -0.000 0.000 0.281 262 R C 0.393 176.703 176.300 0.016 0.000 0.939 262 R CA 1.106 57.222 56.100 0.028 0.000 1.120 262 R CB -0.369 29.956 30.300 0.041 0.000 0.885 262 R HN 0.620 nan 8.270 nan 0.000 0.415 263 R N 2.198 122.710 120.500 0.019 0.000 2.574 263 R HA 0.299 4.639 4.340 -0.000 0.000 0.288 263 R C -0.143 176.166 176.300 0.016 0.000 1.004 263 R CA -0.732 55.374 56.100 0.009 0.000 0.895 263 R CB 2.270 32.575 30.300 0.009 0.000 1.191 263 R HN 0.473 nan 8.270 nan 0.000 0.444 264 M N 3.944 123.545 119.600 0.002 0.000 2.184 264 M HA 0.267 4.747 4.480 -0.000 0.000 0.351 264 M C -1.260 175.051 176.300 0.017 0.000 1.395 264 M CA -0.002 55.306 55.300 0.013 0.000 1.117 264 M CB 0.625 33.219 32.600 -0.009 0.000 1.708 264 M HN 0.344 nan 8.290 nan 0.000 0.468 265 V N 5.120 125.052 119.914 0.030 0.000 2.876 265 V HA 0.409 4.529 4.120 -0.000 0.000 0.312 265 V C -0.920 175.199 176.094 0.041 0.000 1.085 265 V CA -0.796 61.523 62.300 0.032 0.000 0.945 265 V CB 2.499 34.342 31.823 0.035 0.000 1.017 265 V HN 0.849 nan 8.190 nan 0.000 0.428 266 E N 2.816 123.040 120.200 0.040 0.000 2.114 266 E HA 0.648 4.998 4.350 -0.000 0.000 0.266 266 E C -1.462 175.171 176.600 0.055 0.000 0.896 266 E CA -0.590 55.839 56.400 0.048 0.000 0.750 266 E CB 1.965 31.688 29.700 0.039 0.000 1.121 266 E HN 0.285 nan 8.360 nan 0.000 0.413 267 V N 4.947 124.904 119.914 0.070 0.000 2.435 267 V HA 0.401 4.521 4.120 -0.000 0.000 0.290 267 V C -1.919 174.229 176.094 0.090 0.000 1.030 267 V CA -1.901 60.444 62.300 0.075 0.000 0.881 267 V CB 1.514 33.385 31.823 0.080 0.000 0.983 267 V HN 0.721 nan 8.190 nan 0.000 0.445 268 P HA 0.427 nan 4.420 nan 0.000 0.286 268 P C -0.781 176.570 177.300 0.086 0.000 1.261 268 P CA -0.468 62.681 63.100 0.081 0.000 0.821 268 P CB 1.593 33.329 31.700 0.060 0.000 1.013 269 I N 4.486 125.118 120.570 0.103 0.000 2.291 269 I HA 0.194 4.364 4.170 -0.000 0.000 0.292 269 I C -1.565 174.588 176.117 0.059 0.000 1.064 269 I CA -2.492 58.864 61.300 0.093 0.000 1.269 269 I CB 0.896 38.984 38.000 0.146 0.000 1.418 269 I HN 0.188 nan 8.210 nan 0.000 0.485 270 P HA -0.113 nan 4.420 nan 0.000 0.269 270 P C 0.525 177.837 177.300 0.021 0.000 1.205 270 P CA 0.159 63.274 63.100 0.024 0.000 0.780 270 P CB 1.069 32.776 31.700 0.013 0.000 0.858 271 E N 2.079 122.289 120.200 0.017 0.000 2.070 271 E HA -0.132 4.218 4.350 -0.000 0.000 0.197 271 E C 1.143 177.747 176.600 0.006 0.000 1.004 271 E CA 1.925 58.333 56.400 0.013 0.000 0.805 271 E CB -1.011 28.695 29.700 0.011 0.000 0.744 271 E HN 0.662 nan 8.360 nan 0.000 0.451 272 G N 0.379 109.178 108.800 -0.001 0.000 2.741 272 G HA2 0.384 4.344 3.960 -0.000 0.000 0.336 272 G HA3 0.384 4.344 3.960 -0.000 0.000 0.336 272 G C -0.973 173.914 174.900 -0.021 0.000 1.022 272 G CA 0.003 45.097 45.100 -0.011 0.000 1.193 272 G HN 0.164 nan 8.290 nan 0.000 0.455 273 S N 1.632 117.316 115.700 -0.026 0.000 2.472 273 S HA 0.331 4.801 4.470 -0.000 0.000 0.303 273 S C 1.153 175.704 174.600 -0.081 0.000 1.099 273 S CA -0.892 57.277 58.200 -0.052 0.000 1.077 273 S CB 0.900 64.076 63.200 -0.041 0.000 1.031 273 S HN 0.609 nan 8.310 nan 0.000 0.487 274 K N 4.158 124.483 120.400 -0.125 0.000 2.668 274 K HA 0.157 4.477 4.320 -0.000 0.000 0.204 274 K C 0.699 177.181 176.600 -0.195 0.000 1.016 274 K CA 0.557 56.753 56.287 -0.152 0.000 1.131 274 K CB -0.284 32.105 32.500 -0.184 0.000 0.891 274 K HN 0.556 nan 8.250 nan 0.000 0.499 275 L N 0.109 121.230 121.223 -0.170 0.000 2.758 275 L HA 0.092 4.432 4.340 -0.000 0.000 0.234 275 L C 0.542 177.374 176.870 -0.064 0.000 1.049 275 L CA -0.315 54.417 54.840 -0.180 0.000 0.908 275 L CB 0.386 42.265 42.059 -0.299 0.000 1.362 275 L HN 0.271 nan 8.230 nan 0.000 0.499 276 E N 1.075 121.260 120.200 -0.024 0.000 3.102 276 E HA -0.027 4.323 4.350 -0.000 0.000 0.235 276 E C 1.032 177.642 176.600 0.016 0.000 0.995 276 E CA 1.106 57.520 56.400 0.025 0.000 0.950 276 E CB -0.120 29.587 29.700 0.010 0.000 0.905 276 E HN 0.437 nan 8.360 nan 0.000 0.553 277 G N 2.541 111.364 108.800 0.038 0.000 2.238 277 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.217 277 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.217 277 G C 0.214 175.135 174.900 0.034 0.000 0.996 277 G CA -0.100 45.009 45.100 0.016 0.000 0.632 277 G HN 0.572 nan 8.290 nan 0.000 0.503 278 V N 1.610 121.556 119.914 0.054 0.000 2.811 278 V HA 0.574 4.694 4.120 -0.000 0.000 0.302 278 V C 1.212 177.409 176.094 0.172 0.000 1.063 278 V CA 0.553 62.893 62.300 0.067 0.000 1.088 278 V CB 1.629 33.453 31.823 0.002 0.000 0.982 278 V HN 0.615 nan 8.190 nan 0.000 0.485 279 S N 2.382 118.172 115.700 0.151 0.000 2.562 279 S HA 0.234 4.704 4.470 -0.000 0.000 0.275 279 S C 1.024 175.805 174.600 0.301 0.000 1.281 279 S CA -0.656 57.666 58.200 0.204 0.000 1.045 279 S CB 1.477 64.753 63.200 0.126 0.000 0.962 279 S HN 0.446 nan 8.310 nan 0.000 0.503 280 V N 6.024 126.197 119.914 0.431 0.000 2.282 280 V HA -0.200 3.920 4.120 -0.000 0.000 0.249 280 V C 2.345 178.597 176.094 0.264 0.000 1.057 280 V CA 2.274 64.872 62.300 0.498 0.000 1.032 280 V CB -0.928 31.127 31.823 0.386 0.000 0.645 280 V HN 0.895 nan 8.190 nan 0.000 0.447 281 L N -0.241 121.095 121.223 0.188 0.000 2.079 281 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 281 L C 2.352 179.288 176.870 0.110 0.000 1.081 281 L CA 1.926 56.841 54.840 0.125 0.000 0.752 281 L CB -0.451 41.666 42.059 0.096 0.000 0.896 281 L HN 0.416 nan 8.230 nan 0.000 0.433 282 D N -0.144 120.326 120.400 0.116 0.000 2.183 282 D HA -0.096 4.544 4.640 -0.000 0.000 0.203 282 D C 2.036 178.396 176.300 0.100 0.000 0.969 282 D CA 1.279 55.334 54.000 0.091 0.000 0.842 282 D CB 0.164 41.010 40.800 0.078 0.000 0.957 282 D HN 0.456 nan 8.370 nan 0.000 0.484 283 A N 0.644 123.537 122.820 0.121 0.000 2.167 283 A HA -0.083 4.237 4.320 -0.000 0.000 0.214 283 A C 0.461 178.124 177.584 0.131 0.000 1.151 283 A CA 0.277 52.406 52.037 0.153 0.000 0.735 283 A CB -0.028 19.023 19.000 0.085 0.000 0.802 283 A HN -0.039 nan 8.150 nan 0.000 0.467 284 D N -0.601 119.855 120.400 0.093 0.000 2.733 284 D HA -0.206 4.434 4.640 -0.000 0.000 0.228 284 D C 0.885 177.177 176.300 -0.013 0.000 1.182 284 D CA 0.759 54.790 54.000 0.051 0.000 0.620 284 D CB -1.363 39.452 40.800 0.024 0.000 1.027 284 D HN 0.633 nan 8.370 nan 0.000 0.415 285 I N -0.945 119.627 120.570 0.004 0.000 2.290 285 I HA -0.386 3.784 4.170 -0.000 0.000 0.253 285 I C 2.250 178.344 176.117 -0.038 0.000 1.112 285 I CA 1.376 62.627 61.300 -0.082 0.000 1.377 285 I CB -0.333 37.687 38.000 0.034 0.000 1.060 285 I HN 0.312 nan 8.210 nan 0.000 0.428 286 H N 1.486 120.518 119.070 -0.064 0.000 2.261 286 H HA -0.159 4.397 4.556 -0.000 0.000 0.301 286 H C 1.904 177.185 175.328 -0.078 0.000 1.067 286 H CA 1.858 57.874 56.048 -0.052 0.000 1.297 286 H CB -0.350 29.399 29.762 -0.021 0.000 1.377 286 H HN 0.207 nan 8.280 nan 0.000 0.492 287 D N -0.240 120.078 120.400 -0.137 0.000 2.133 287 D HA -0.147 4.493 4.640 -0.000 0.000 0.195 287 D C 2.410 178.592 176.300 -0.197 0.000 0.997 287 D CA 1.668 55.545 54.000 -0.205 0.000 0.840 287 D CB -0.169 40.566 40.800 -0.107 0.000 0.947 287 D HN 0.270 nan 8.370 nan 0.000 0.452 288 V N 0.520 120.300 119.914 -0.223 0.000 2.283 288 V HA -0.161 3.959 4.120 -0.000 0.000 0.243 288 V C 2.489 178.406 176.094 -0.294 0.000 1.039 288 V CA 1.833 63.940 62.300 -0.322 0.000 1.016 288 V CB -0.640 30.778 31.823 -0.676 0.000 0.650 288 V HN 0.164 nan 8.190 nan 0.000 0.449 289 T N -1.393 112.998 114.554 -0.273 0.000 3.033 289 T HA 0.315 4.665 4.350 -0.000 0.000 0.248 289 T C 1.482 176.140 174.700 -0.070 0.000 1.040 289 T CA 1.245 63.250 62.100 -0.159 0.000 1.133 289 T CB 0.490 69.281 68.868 -0.128 0.000 0.895 289 T HN 0.777 nan 8.240 nan 0.000 0.465 290 G N 0.901 109.681 108.800 -0.032 0.000 2.176 290 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.232 290 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.232 290 G C 0.226 175.233 174.900 0.178 0.000 0.986 290 G CA -0.031 45.083 45.100 0.024 0.000 0.643 290 G HN 0.507 nan 8.290 nan 0.000 0.522 291 V N 2.893 122.890 119.914 0.137 0.000 2.389 291 V HA 0.384 4.504 4.120 -0.000 0.000 0.264 291 V C 1.133 177.287 176.094 0.100 0.000 1.049 291 V CA -0.432 61.932 62.300 0.105 0.000 0.932 291 V CB 0.939 32.802 31.823 0.066 0.000 1.011 291 V HN 0.333 nan 8.190 nan 0.000 0.475 292 I N 6.646 127.232 120.570 0.027 0.000 2.618 292 I HA 0.165 4.335 4.170 -0.000 0.000 0.284 292 I C 0.437 176.536 176.117 -0.031 0.000 1.146 292 I CA 0.208 61.437 61.300 -0.119 0.000 1.425 292 I CB 0.509 38.422 38.000 -0.145 0.000 1.383 292 I HN 0.568 nan 8.210 nan 0.000 0.562 293 I N 5.795 126.347 120.570 -0.030 0.000 2.306 293 I HA 0.298 4.468 4.170 -0.000 0.000 0.288 293 I C 0.992 177.102 176.117 -0.013 0.000 1.036 293 I CA -0.493 60.820 61.300 0.021 0.000 1.221 293 I CB 0.786 38.835 38.000 0.082 0.000 1.385 293 I HN 0.620 nan 8.210 nan 0.000 0.472 294 I N 2.636 123.206 120.570 -0.002 0.000 3.684 294 I HA 0.628 4.798 4.170 -0.000 0.000 0.304 294 I C 0.693 176.791 176.117 -0.031 0.000 1.278 294 I CA -0.071 61.221 61.300 -0.015 0.000 1.272 294 I CB -0.248 37.768 38.000 0.026 0.000 1.029 294 I HN 0.777 nan 8.210 nan 0.000 0.458 295 G N 0.337 109.115 108.800 -0.038 0.000 2.361 295 G HA2 0.422 4.382 3.960 -0.000 0.000 0.299 295 G HA3 0.422 4.382 3.960 -0.000 0.000 0.299 295 G C -1.607 173.238 174.900 -0.092 0.000 1.544 295 G CA -0.546 44.503 45.100 -0.085 0.000 0.860 295 G HN -0.069 nan 8.290 nan 0.000 0.610 296 V N -0.191 119.610 119.914 -0.188 0.000 2.628 296 V HA 0.926 5.046 4.120 -0.000 0.000 0.306 296 V C 0.739 176.760 176.094 -0.120 0.000 1.045 296 V CA -0.004 62.192 62.300 -0.174 0.000 0.905 296 V CB 1.947 33.541 31.823 -0.381 0.000 0.997 296 V HN 1.488 nan 8.190 nan 0.000 0.436 297 G N 2.517 111.297 108.800 -0.033 0.000 2.530 297 G HA2 0.630 4.590 3.960 -0.000 0.000 0.316 297 G HA3 0.630 4.590 3.960 -0.000 0.000 0.316 297 G C -0.681 174.234 174.900 0.027 0.000 1.298 297 G CA -0.710 44.386 45.100 -0.007 0.000 0.948 297 G HN 0.414 nan 8.290 nan 0.000 0.486 298 R N 1.964 122.480 120.500 0.028 0.000 2.575 298 R HA 0.342 4.682 4.340 -0.000 0.000 0.281 298 R C 0.805 177.121 176.300 0.027 0.000 1.272 298 R CA -0.402 55.722 56.100 0.040 0.000 1.417 298 R CB 0.774 31.104 30.300 0.049 0.000 1.121 298 R HN 1.006 nan 8.270 nan 0.000 0.583 299 G N 2.918 111.734 108.800 0.026 0.000 2.776 299 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.343 299 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.343 299 G C 0.200 175.110 174.900 0.016 0.000 0.103 299 G CA 0.611 45.724 45.100 0.021 0.000 1.240 299 G HN 0.778 nan 8.290 nan 0.000 0.553 300 D N 0.212 120.620 120.400 0.013 0.000 2.946 300 D HA -0.165 4.475 4.640 -0.000 0.000 0.202 300 D C 0.490 176.795 176.300 0.008 0.000 1.068 300 D CA 2.169 56.175 54.000 0.010 0.000 1.011 300 D CB -0.691 40.115 40.800 0.009 0.000 1.105 300 D HN 0.944 nan 8.370 nan 0.000 0.425 301 E N -0.481 119.723 120.200 0.007 0.000 2.392 301 E HA 0.665 5.015 4.350 -0.000 0.000 0.279 301 E C -1.578 175.018 176.600 -0.006 0.000 0.964 301 E CA -0.735 55.666 56.400 0.002 0.000 0.777 301 E CB 2.477 32.181 29.700 0.005 0.000 1.249 301 E HN 0.098 nan 8.360 nan 0.000 0.449 302 L N 4.338 125.550 121.223 -0.018 0.000 2.482 302 L HA 0.600 4.940 4.340 -0.000 0.000 0.263 302 L C -1.778 175.056 176.870 -0.060 0.000 0.957 302 L CA -0.568 54.249 54.840 -0.038 0.000 0.836 302 L CB 1.479 43.523 42.059 -0.025 0.000 1.324 302 L HN 0.562 nan 8.230 nan 0.000 0.406 303 I N 4.693 125.196 120.570 -0.111 0.000 2.404 303 I HA 0.271 4.441 4.170 -0.000 0.000 0.293 303 I C 0.176 176.207 176.117 -0.143 0.000 0.992 303 I CA -0.606 60.612 61.300 -0.136 0.000 1.149 303 I CB 1.885 39.756 38.000 -0.215 0.000 1.315 303 I HN 0.640 nan 8.210 nan 0.000 0.446 304 I N 2.982 123.491 120.570 -0.101 0.000 2.330 304 I HA -0.101 4.069 4.170 -0.000 0.000 0.229 304 I C 1.198 177.254 176.117 -0.101 0.000 1.063 304 I CA 1.213 62.462 61.300 -0.085 0.000 1.367 304 I CB -0.128 37.840 38.000 -0.053 0.000 1.158 304 I HN 0.570 nan 8.210 nan 0.000 0.411 305 D N 3.238 123.586 120.400 -0.088 0.000 2.483 305 D HA 0.109 4.749 4.640 -0.000 0.000 0.220 305 D C -2.263 173.972 176.300 -0.109 0.000 1.173 305 D CA -2.301 51.648 54.000 -0.084 0.000 0.964 305 D CB 0.005 40.769 40.800 -0.061 0.000 1.046 305 D HN 0.052 nan 8.370 nan 0.000 0.517 306 P HA 0.120 nan 4.420 nan 0.000 0.264 306 P C -2.446 174.788 177.300 -0.109 0.000 1.193 306 P CA -0.969 61.978 63.100 -0.255 0.000 0.763 306 P CB 0.126 31.531 31.700 -0.492 0.000 0.810 307 P HA 0.053 nan 4.420 nan 0.000 0.268 307 P C 1.042 178.382 177.300 0.067 0.000 1.208 307 P CA 0.015 63.125 63.100 0.016 0.000 0.777 307 P CB 0.923 32.644 31.700 0.035 0.000 0.875 308 R N 1.629 122.167 120.500 0.064 0.000 2.112 308 R HA -0.164 4.176 4.340 -0.000 0.000 0.242 308 R C 1.428 177.798 176.300 0.117 0.000 1.137 308 R CA 2.129 58.281 56.100 0.087 0.000 0.944 308 R CB -0.796 29.542 30.300 0.063 0.000 0.857 308 R HN 0.656 nan 8.270 nan 0.000 0.435 309 D N -0.032 120.426 120.400 0.098 0.000 2.396 309 D HA -0.131 4.509 4.640 -0.000 0.000 0.255 309 D C -0.240 176.126 176.300 0.109 0.000 1.224 309 D CA 0.083 54.136 54.000 0.088 0.000 0.894 309 D CB -0.399 40.434 40.800 0.057 0.000 0.939 309 D HN 0.204 nan 8.370 nan 0.000 0.506 310 Y N 2.368 122.672 120.300 0.006 0.000 2.304 310 Y HA 0.236 4.786 4.550 -0.000 0.000 0.327 310 Y C 0.086 175.986 175.900 0.001 0.000 1.209 310 Y CA -0.920 57.158 58.100 -0.037 0.000 1.299 310 Y CB 1.228 39.621 38.460 -0.110 0.000 1.249 310 Y HN -0.043 nan 8.280 nan 0.000 0.519 311 S N 5.504 120.788 115.700 -0.693 0.000 2.640 311 S HA 0.479 4.949 4.470 -0.000 0.000 0.320 311 S C -1.005 173.300 174.600 -0.492 0.000 1.097 311 S CA -0.795 57.190 58.200 -0.360 0.000 1.092 311 S CB -0.046 63.025 63.200 -0.215 0.000 0.988 311 S HN 0.447 nan 8.310 nan 0.000 0.470 312 F N 2.760 122.588 119.950 -0.203 0.000 2.595 312 F HA 0.331 4.858 4.527 -0.000 0.000 0.359 312 F C 1.646 177.393 175.800 -0.088 0.000 1.147 312 F CA 0.204 58.168 58.000 -0.060 0.000 1.341 312 F CB 0.544 39.577 39.000 0.055 0.000 1.104 312 F HN 0.579 nan 8.300 nan 0.000 0.603 313 R N 0.745 121.315 120.500 0.117 0.000 3.328 313 R HA 0.736 5.076 4.340 -0.000 0.000 0.232 313 R C 0.854 177.208 176.300 0.091 0.000 1.606 313 R CA -0.416 55.718 56.100 0.058 0.000 1.025 313 R CB 0.226 30.528 30.300 0.003 0.000 1.701 313 R HN 0.614 nan 8.270 nan 0.000 0.526 314 A N 0.170 123.024 122.820 0.056 0.000 1.849 314 A HA 0.064 4.384 4.320 -0.000 0.000 0.214 314 A C 1.956 179.579 177.584 0.064 0.000 1.269 314 A CA 1.358 53.427 52.037 0.054 0.000 0.605 314 A CB -1.504 17.515 19.000 0.032 0.000 0.937 314 A HN 0.754 nan 8.150 nan 0.000 0.461 315 G N -0.039 108.792 108.800 0.052 0.000 2.527 315 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.219 315 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.219 315 G C -0.045 174.897 174.900 0.070 0.000 1.117 315 G CA 0.719 45.850 45.100 0.053 0.000 0.759 315 G HN 0.481 nan 8.290 nan 0.000 0.556 316 D N -0.009 120.445 120.400 0.091 0.000 2.629 316 D HA 0.140 4.780 4.640 -0.000 0.000 0.228 316 D C 0.356 176.732 176.300 0.126 0.000 1.127 316 D CA 0.786 54.856 54.000 0.117 0.000 0.855 316 D CB 0.842 41.742 40.800 0.166 0.000 1.180 316 D HN 0.110 nan 8.370 nan 0.000 0.484 317 I N 2.677 123.309 120.570 0.102 0.000 2.465 317 I HA 0.308 4.478 4.170 -0.000 0.000 0.291 317 I C -0.110 176.069 176.117 0.102 0.000 1.014 317 I CA -0.813 60.544 61.300 0.097 0.000 1.093 317 I CB 1.587 39.625 38.000 0.063 0.000 1.267 317 I HN 0.135 nan 8.210 nan 0.000 0.431 318 I N 6.494 127.143 120.570 0.133 0.000 2.304 318 I HA 0.193 4.363 4.170 -0.000 0.000 0.291 318 I C -0.617 175.554 176.117 0.089 0.000 1.018 318 I CA -0.642 60.743 61.300 0.143 0.000 1.260 318 I CB 1.526 39.656 38.000 0.216 0.000 1.390 318 I HN 0.303 nan 8.210 nan 0.000 0.475 319 L N 7.759 129.018 121.223 0.060 0.000 2.259 319 L HA 0.700 5.040 4.340 -0.000 0.000 0.288 319 L C 0.044 176.945 176.870 0.051 0.000 1.051 319 L CA 0.261 55.129 54.840 0.046 0.000 0.824 319 L CB 0.618 42.694 42.059 0.027 0.000 1.206 319 L HN 0.588 nan 8.230 nan 0.000 0.429 320 G N 5.233 114.068 108.800 0.057 0.000 2.659 320 G HA2 0.622 4.582 3.960 -0.000 0.000 0.296 320 G HA3 0.622 4.582 3.960 -0.000 0.000 0.296 320 G C -1.361 173.572 174.900 0.056 0.000 1.369 320 G CA -0.644 44.490 45.100 0.056 0.000 0.937 320 G HN 0.487 nan 8.290 nan 0.000 0.485 321 I N 0.508 121.114 120.570 0.060 0.000 2.460 321 I HA 0.812 4.982 4.170 -0.000 0.000 0.298 321 I C 0.629 176.782 176.117 0.060 0.000 0.989 321 I CA -0.536 60.803 61.300 0.066 0.000 1.173 321 I CB 2.110 40.172 38.000 0.103 0.000 1.338 321 I HN 0.815 nan 8.210 nan 0.000 0.456 322 G N 3.452 112.284 108.800 0.055 0.000 2.355 322 G HA2 0.323 4.283 3.960 -0.000 0.000 0.296 322 G HA3 0.323 4.283 3.960 -0.000 0.000 0.296 322 G C -1.708 173.217 174.900 0.042 0.000 1.507 322 G CA -1.047 44.086 45.100 0.055 0.000 0.823 322 G HN 0.371 nan 8.290 nan 0.000 0.569 323 K N 1.960 122.383 120.400 0.039 0.000 2.436 323 K HA 0.243 4.563 4.320 -0.000 0.000 0.275 323 K C -1.033 175.581 176.600 0.025 0.000 0.999 323 K CA -1.034 55.270 56.287 0.028 0.000 0.980 323 K CB 1.028 33.542 32.500 0.023 0.000 0.919 323 K HN 0.223 nan 8.250 nan 0.000 0.484 324 P HA -0.280 nan 4.420 nan 0.000 0.216 324 P C 0.255 177.567 177.300 0.019 0.000 1.157 324 P CA 1.704 64.816 63.100 0.020 0.000 0.880 324 P CB 0.254 31.964 31.700 0.017 0.000 0.791 325 E N 0.458 120.667 120.200 0.016 0.000 2.021 325 E HA -0.227 4.123 4.350 -0.000 0.000 0.200 325 E C 2.209 178.818 176.600 0.014 0.000 1.015 325 E CA 1.368 57.776 56.400 0.013 0.000 0.824 325 E CB -0.617 29.088 29.700 0.009 0.000 0.762 325 E HN 0.407 nan 8.360 nan 0.000 0.454 326 E N 0.630 120.838 120.200 0.013 0.000 2.108 326 E HA -0.249 4.101 4.350 -0.000 0.000 0.203 326 E C 2.197 178.809 176.600 0.020 0.000 1.022 326 E CA 1.348 57.755 56.400 0.012 0.000 0.823 326 E CB -0.275 29.439 29.700 0.023 0.000 0.744 326 E HN 0.294 nan 8.360 nan 0.000 0.456 327 I N 0.817 121.403 120.570 0.028 0.000 2.076 327 I HA -0.322 3.848 4.170 -0.000 0.000 0.237 327 I C 2.741 178.879 176.117 0.035 0.000 1.059 327 I CA 1.473 62.794 61.300 0.035 0.000 1.317 327 I CB -0.437 37.583 38.000 0.034 0.000 1.037 327 I HN 0.193 nan 8.210 nan 0.000 0.398 328 E N 1.228 121.445 120.200 0.029 0.000 2.086 328 E HA -0.331 4.019 4.350 -0.000 0.000 0.200 328 E C 2.401 179.022 176.600 0.035 0.000 1.012 328 E CA 1.712 58.130 56.400 0.030 0.000 0.812 328 E CB -0.146 29.568 29.700 0.023 0.000 0.743 328 E HN 0.268 nan 8.360 nan 0.000 0.453 329 R N 0.373 120.890 120.500 0.028 0.000 2.105 329 R HA -0.137 4.203 4.340 -0.000 0.000 0.239 329 R C 2.613 178.945 176.300 0.053 0.000 1.135 329 R CA 1.198 57.316 56.100 0.029 0.000 0.967 329 R CB -0.285 30.016 30.300 0.002 0.000 0.861 329 R HN 0.348 nan 8.270 nan 0.000 0.442 330 L N 0.747 121.998 121.223 0.048 0.000 2.093 330 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 330 L C 1.975 178.913 176.870 0.114 0.000 1.085 330 L CA 1.519 56.406 54.840 0.078 0.000 0.755 330 L CB -0.145 41.951 42.059 0.061 0.000 0.904 330 L HN 0.191 nan 8.230 nan 0.000 0.435 331 K N -0.270 120.177 120.400 0.078 0.000 2.057 331 K HA -0.155 4.165 4.320 -0.000 0.000 0.207 331 K C 1.818 178.456 176.600 0.064 0.000 1.049 331 K CA 1.503 57.830 56.287 0.066 0.000 0.931 331 K CB -0.199 32.330 32.500 0.048 0.000 0.714 331 K HN 0.413 nan 8.250 nan 0.000 0.440 332 N N 0.610 119.352 118.700 0.071 0.000 2.142 332 N HA -0.181 4.559 4.740 -0.000 0.000 0.186 332 N C 1.557 177.117 175.510 0.084 0.000 1.023 332 N CA 0.974 54.062 53.050 0.063 0.000 0.852 332 N CB -0.355 38.168 38.487 0.060 0.000 0.998 332 N HN 0.219 nan 8.380 nan 0.000 0.424 333 Y N 1.325 121.614 120.300 -0.018 0.000 2.751 333 Y HA -0.004 4.546 4.550 -0.000 0.000 0.310 333 Y C 1.326 177.198 175.900 -0.046 0.000 1.176 333 Y CA 0.718 58.799 58.100 -0.032 0.000 1.360 333 Y CB -0.285 38.154 38.460 -0.035 0.000 0.999 333 Y HN 0.070 nan 8.280 nan 0.000 0.532 334 I N -2.306 118.231 120.570 -0.055 0.000 4.706 334 I HA 0.009 4.179 4.170 -0.000 0.000 0.321 334 I C 0.753 176.824 176.117 -0.076 0.000 1.249 334 I CA 0.217 61.448 61.300 -0.115 0.000 1.321 334 I CB -0.271 37.708 38.000 -0.034 0.000 1.342 334 I HN -0.015 nan 8.210 nan 0.000 0.463 335 S N 3.114 118.795 115.700 -0.031 0.000 2.642 335 S HA 0.249 4.719 4.470 -0.000 0.000 0.308 335 S C 0.764 175.343 174.600 -0.035 0.000 1.255 335 S CA -0.152 58.037 58.200 -0.019 0.000 1.057 335 S CB 0.119 63.317 63.200 -0.003 0.000 0.785 335 S HN 0.712 nan 8.310 nan 0.000 0.500 336 A N 0.000 122.804 122.820 -0.026 0.000 2.254 336 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 336 A CA 0.000 52.020 52.037 -0.028 0.000 0.836 336 A CB 0.000 18.987 19.000 -0.021 0.000 0.831 336 A HN 0.000 nan 8.150 nan 0.000 0.486