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 1h7s_1_B DATA FIRST_RESID 33 DATA SEQUENCE LSLSTAVKEL VENSLDAGAT NIDLKLKDYG VDLIEVSDNG CGVEEENFEG DATA SEQUENCE LTLXXXXXXX XXXXXXXXXX XXXXXGEALS SLCALSDVTI STCHASAKVG DATA SEQUENCE TRLXFDHNGK IIQKTPYPRP RGTTVSVQQL FSTLPVRHKE FQRNIKKEYA DATA SEQUENCE KXVQVLHAYC IISAGIRVSC TNQLGQGKRQ PVVCTGGSPS IKENIGSVFG DATA SEQUENCE QKQLQSLIPF VQLPPSDSVC EEYGLSCSDA LHNLFYISGF ISQCTHGVGR DATA SEQUENCE SSTDRQFFFI NRRPCDPAKV CRLVNEVYHX YNRHQYPFVV LNISVDSECV DATA SEQUENCE DXXXXXXXXX ILLQEEKLLL AVLKTSLIGX FDS 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 33 L HA 0.000 nan 4.340 nan 0.000 0.249 33 L C 0.000 176.978 176.870 0.179 0.000 1.165 33 L CA 0.000 54.900 54.840 0.099 0.000 0.813 33 L CB 0.000 42.144 42.059 0.142 0.000 0.961 34 S N 2.884 118.659 115.700 0.125 0.000 2.811 34 S HA 0.623 5.093 4.470 -0.000 0.000 0.311 34 S C 0.537 175.132 174.600 -0.008 0.000 1.152 34 S CA -0.296 57.971 58.200 0.111 0.000 0.864 34 S CB 1.216 64.431 63.200 0.025 0.000 1.226 34 S HN 0.789 nan 8.310 nan 0.000 0.541 35 L N 1.929 123.085 121.223 -0.112 0.000 2.012 35 L HA -0.063 4.276 4.340 -0.000 0.000 0.210 35 L C 2.534 179.409 176.870 0.008 0.000 1.073 35 L CA 2.998 57.782 54.840 -0.093 0.000 0.748 35 L CB -1.407 40.707 42.059 0.092 0.000 0.891 35 L HN 0.966 nan 8.230 nan 0.000 0.431 36 S N -1.832 113.887 115.700 0.032 0.000 2.382 36 S HA -0.193 4.277 4.470 -0.000 0.000 0.228 36 S C 1.922 176.546 174.600 0.039 0.000 1.027 36 S CA 1.448 59.671 58.200 0.038 0.000 0.991 36 S CB -1.591 61.628 63.200 0.032 0.000 0.823 36 S HN 0.707 nan 8.310 nan 0.000 0.469 37 T N -0.350 114.221 114.554 0.028 0.000 2.985 37 T HA 0.359 4.709 4.350 -0.000 0.000 0.266 37 T C 1.973 176.681 174.700 0.012 0.000 1.076 37 T CA 0.711 62.829 62.100 0.031 0.000 1.135 37 T CB -0.610 68.275 68.868 0.028 0.000 0.890 37 T HN 0.515 nan 8.240 nan 0.000 0.480 38 A N 1.289 124.101 122.820 -0.014 0.000 1.898 38 A HA 0.109 4.429 4.320 -0.000 0.000 0.216 38 A C 2.578 180.144 177.584 -0.030 0.000 1.181 38 A CA 1.400 53.409 52.037 -0.046 0.000 0.620 38 A CB -1.080 17.855 19.000 -0.108 0.000 0.819 38 A HN 0.379 nan 8.150 nan 0.000 0.442 39 V N 0.224 120.134 119.914 -0.007 0.000 2.358 39 V HA -0.253 3.866 4.120 -0.000 0.000 0.246 39 V C 2.542 178.634 176.094 -0.004 0.000 1.047 39 V CA 2.376 64.677 62.300 0.001 0.000 1.035 39 V CB -0.610 31.232 31.823 0.032 0.000 0.658 39 V HN 0.709 nan 8.190 nan 0.000 0.452 40 K N 0.186 120.610 120.400 0.039 0.000 2.032 40 K HA -0.240 4.079 4.320 -0.000 0.000 0.209 40 K C 2.099 178.699 176.600 0.000 0.000 1.048 40 K CA 2.039 58.373 56.287 0.079 0.000 0.927 40 K CB -0.161 32.431 32.500 0.153 0.000 0.712 40 K HN 0.575 nan 8.250 nan 0.000 0.441 41 E N 0.550 120.749 120.200 -0.001 0.000 2.051 41 E HA -0.196 4.153 4.350 -0.000 0.000 0.192 41 E C 2.140 178.708 176.600 -0.055 0.000 0.991 41 E CA 1.395 57.783 56.400 -0.020 0.000 0.799 41 E CB -0.116 29.572 29.700 -0.019 0.000 0.748 41 E HN 0.320 nan 8.360 nan 0.000 0.449 42 L N 0.620 121.806 121.223 -0.063 0.000 2.083 42 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 42 L C 2.497 179.305 176.870 -0.103 0.000 1.083 42 L CA 0.669 55.465 54.840 -0.074 0.000 0.752 42 L CB -0.393 41.629 42.059 -0.063 0.000 0.899 42 L HN 0.054 nan 8.230 nan 0.000 0.433 43 V N -0.113 119.710 119.914 -0.152 0.000 2.358 43 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 43 V C 2.336 178.266 176.094 -0.273 0.000 1.047 43 V CA 1.715 63.864 62.300 -0.252 0.000 1.035 43 V CB -0.453 31.107 31.823 -0.440 0.000 0.658 43 V HN 0.458 nan 8.190 nan 0.000 0.452 44 E N 0.198 120.257 120.200 -0.236 0.000 2.106 44 E HA -0.193 4.156 4.350 -0.000 0.000 0.192 44 E C 2.085 178.638 176.600 -0.078 0.000 0.984 44 E CA 1.178 57.497 56.400 -0.136 0.000 0.806 44 E CB -0.217 29.460 29.700 -0.038 0.000 0.750 44 E HN 0.560 nan 8.360 nan 0.000 0.458 45 N N 0.424 119.081 118.700 -0.072 0.000 2.166 45 N HA -0.093 4.647 4.740 -0.000 0.000 0.186 45 N C 1.848 177.327 175.510 -0.050 0.000 1.019 45 N CA 0.989 54.008 53.050 -0.052 0.000 0.856 45 N CB -0.223 38.233 38.487 -0.053 0.000 0.993 45 N HN -0.019 nan 8.380 nan 0.000 0.426 46 S N 0.974 116.635 115.700 -0.066 0.000 2.368 46 S HA 0.070 4.540 4.470 -0.000 0.000 0.224 46 S C 2.130 176.703 174.600 -0.045 0.000 1.029 46 S CA 0.470 58.639 58.200 -0.053 0.000 0.988 46 S CB -0.151 63.011 63.200 -0.062 0.000 0.838 46 S HN 0.231 nan 8.310 nan 0.000 0.462 47 L N 1.474 122.659 121.223 -0.063 0.000 2.046 47 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 47 L C 1.993 178.854 176.870 -0.015 0.000 1.077 47 L CA 1.095 55.912 54.840 -0.038 0.000 0.747 47 L CB -0.590 41.443 42.059 -0.044 0.000 0.896 47 L HN 0.196 nan 8.230 nan 0.000 0.432 48 D N 0.134 120.524 120.400 -0.017 0.000 2.264 48 D HA -0.094 4.546 4.640 -0.000 0.000 0.208 48 D C 1.934 178.230 176.300 -0.006 0.000 0.966 48 D CA 1.236 55.232 54.000 -0.006 0.000 0.864 48 D CB 0.116 40.912 40.800 -0.007 0.000 0.933 48 D HN 0.307 nan 8.370 nan 0.000 0.499 49 A N -0.218 122.595 122.820 -0.011 0.000 2.259 49 A HA 0.411 4.730 4.320 -0.000 0.000 0.208 49 A C 1.624 179.211 177.584 0.005 0.000 1.201 49 A CA 0.814 52.847 52.037 -0.007 0.000 0.824 49 A CB -0.259 18.735 19.000 -0.010 0.000 0.838 49 A HN 0.200 nan 8.150 nan 0.000 0.485 50 G N -1.518 107.285 108.800 0.004 0.000 2.160 50 G HA2 0.084 4.044 3.960 -0.000 0.000 0.244 50 G HA3 0.084 4.044 3.960 -0.000 0.000 0.244 50 G C 0.389 175.295 174.900 0.011 0.000 1.022 50 G CA 0.327 45.434 45.100 0.010 0.000 0.741 50 G HN 1.582 nan 8.290 nan 0.000 0.508 51 A N -0.162 122.660 122.820 0.003 0.000 2.462 51 A HA 0.707 5.027 4.320 -0.000 0.000 0.243 51 A C 1.466 179.051 177.584 0.002 0.000 1.076 51 A CA 1.324 53.363 52.037 0.003 0.000 0.773 51 A CB 0.399 19.395 19.000 -0.007 0.000 1.010 51 A HN 1.589 nan 8.150 nan 0.000 0.493 52 T N -1.120 113.437 114.554 0.005 0.000 3.040 52 T HA 0.279 4.629 4.350 -0.000 0.000 0.266 52 T C 0.097 174.799 174.700 0.003 0.000 1.005 52 T CA -0.025 62.078 62.100 0.005 0.000 0.906 52 T CB -0.367 68.505 68.868 0.006 0.000 1.082 52 T HN 0.524 nan 8.240 nan 0.000 0.531 53 N N 0.342 119.043 118.700 0.002 0.000 2.225 53 N HA 0.731 5.471 4.740 -0.000 0.000 0.298 53 N C -1.758 173.750 175.510 -0.004 0.000 1.076 53 N CA -0.685 52.366 53.050 0.001 0.000 0.792 53 N CB 2.195 40.685 38.487 0.005 0.000 1.498 53 N HN 0.209 nan 8.380 nan 0.000 0.474 54 I N 1.178 121.745 120.570 -0.005 0.000 2.611 54 I HA 0.241 4.411 4.170 -0.000 0.000 0.287 54 I C -1.482 174.632 176.117 -0.005 0.000 1.184 54 I CA -0.623 60.669 61.300 -0.013 0.000 1.054 54 I CB 1.866 39.846 38.000 -0.032 0.000 1.257 54 I HN 0.284 nan 8.210 nan 0.000 0.435 55 D N 6.520 126.919 120.400 -0.002 0.000 2.408 55 D HA 0.361 5.001 4.640 -0.000 0.000 0.243 55 D C -0.856 175.448 176.300 0.007 0.000 1.075 55 D CA -0.414 53.590 54.000 0.006 0.000 0.832 55 D CB 3.148 43.954 40.800 0.009 0.000 1.162 55 D HN 0.192 nan 8.370 nan 0.000 0.515 56 L N 2.907 124.139 121.223 0.016 0.000 2.264 56 L HA 0.278 4.618 4.340 -0.000 0.000 0.287 56 L C -0.226 176.664 176.870 0.033 0.000 1.039 56 L CA -0.266 54.588 54.840 0.023 0.000 0.829 56 L CB 0.583 42.662 42.059 0.034 0.000 1.211 56 L HN 0.142 nan 8.230 nan 0.000 0.427 57 K N 6.157 126.573 120.400 0.026 0.000 2.240 57 K HA 0.568 4.887 4.320 -0.000 0.000 0.271 57 K C -1.526 175.092 176.600 0.029 0.000 1.018 57 K CA -0.555 55.746 56.287 0.023 0.000 0.874 57 K CB 0.775 33.283 32.500 0.014 0.000 1.098 57 K HN 0.692 nan 8.250 nan 0.000 0.458 58 L N 3.438 124.677 121.223 0.028 0.000 2.333 58 L HA 0.542 4.882 4.340 -0.000 0.000 0.269 58 L C -0.411 176.441 176.870 -0.030 0.000 1.010 58 L CA -1.013 53.842 54.840 0.026 0.000 0.818 58 L CB 2.016 44.117 42.059 0.070 0.000 1.306 58 L HN 0.504 nan 8.230 nan 0.000 0.430 59 K N 1.551 121.930 120.400 -0.034 0.000 2.545 59 K HA 0.282 4.602 4.320 -0.000 0.000 0.252 59 K C -1.397 175.144 176.600 -0.098 0.000 0.948 59 K CA -0.708 55.535 56.287 -0.072 0.000 0.827 59 K CB 1.447 33.926 32.500 -0.034 0.000 1.128 59 K HN 0.536 nan 8.250 nan 0.000 0.429 60 D N 2.500 122.777 120.400 -0.204 0.000 2.716 60 D HA -0.197 4.443 4.640 -0.000 0.000 0.239 60 D C -0.683 175.535 176.300 -0.138 0.000 1.125 60 D CA 1.025 54.892 54.000 -0.221 0.000 0.681 60 D CB -1.278 39.463 40.800 -0.099 0.000 1.070 60 D HN 0.753 nan 8.370 nan 0.000 0.432 61 Y N -2.100 118.099 120.300 -0.169 0.000 4.604 61 Y HA -0.226 4.324 4.550 -0.000 0.000 0.230 61 Y C 1.827 177.764 175.900 0.062 0.000 1.066 61 Y CA 1.864 59.851 58.100 -0.187 0.000 1.990 61 Y CB -1.660 36.560 38.460 -0.400 0.000 1.619 61 Y HN 0.626 nan 8.280 nan 0.000 0.649 62 G N -2.380 106.513 108.800 0.154 0.000 2.213 62 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.226 62 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.226 62 G C 0.813 175.859 174.900 0.242 0.000 0.992 62 G CA 0.110 45.353 45.100 0.238 0.000 0.632 62 G HN 0.508 nan 8.290 nan 0.000 0.511 63 V N 0.829 120.740 119.914 -0.005 0.000 2.407 63 V HA -0.050 4.070 4.120 -0.000 0.000 0.248 63 V C 2.261 178.401 176.094 0.076 0.000 1.055 63 V CA 3.001 65.208 62.300 -0.154 0.000 1.049 63 V CB -0.104 31.480 31.823 -0.399 0.000 0.662 63 V HN 0.575 nan 8.190 nan 0.000 0.455 64 D N -1.687 118.741 120.400 0.047 0.000 2.323 64 D HA 0.086 4.726 4.640 -0.000 0.000 0.218 64 D C 0.270 176.606 176.300 0.060 0.000 0.973 64 D CA 0.274 54.310 54.000 0.060 0.000 0.890 64 D CB 0.552 41.365 40.800 0.021 0.000 1.011 64 D HN 0.262 nan 8.370 nan 0.000 0.499 65 L N 0.520 121.774 121.223 0.053 0.000 2.482 65 L HA 0.515 4.855 4.340 -0.000 0.000 0.263 65 L C -1.900 175.003 176.870 0.055 0.000 0.957 65 L CA -0.577 54.289 54.840 0.043 0.000 0.836 65 L CB 2.052 44.123 42.059 0.020 0.000 1.324 65 L HN -0.065 nan 8.230 nan 0.000 0.406 66 I N 4.160 124.756 120.570 0.043 0.000 2.476 66 I HA 0.452 4.622 4.170 -0.000 0.000 0.281 66 I C -0.897 175.227 176.117 0.013 0.000 1.040 66 I CA -0.297 61.028 61.300 0.041 0.000 1.094 66 I CB 1.776 39.795 38.000 0.032 0.000 1.219 66 I HN 0.620 nan 8.210 nan 0.000 0.450 67 E N 6.220 126.428 120.200 0.013 0.000 2.224 67 E HA 0.571 4.921 4.350 -0.000 0.000 0.265 67 E C -1.724 174.875 176.600 -0.001 0.000 0.878 67 E CA -0.627 55.773 56.400 -0.000 0.000 0.759 67 E CB 2.408 32.109 29.700 0.001 0.000 1.164 67 E HN 0.298 nan 8.360 nan 0.000 0.414 68 V N 3.498 123.404 119.914 -0.014 0.000 2.357 68 V HA 0.320 4.440 4.120 -0.000 0.000 0.284 68 V C -0.221 175.863 176.094 -0.016 0.000 1.018 68 V CA -0.574 61.716 62.300 -0.017 0.000 0.841 68 V CB 1.411 33.215 31.823 -0.032 0.000 0.991 68 V HN 0.610 nan 8.190 nan 0.000 0.437 69 S N 3.924 119.620 115.700 -0.007 0.000 2.454 69 S HA 0.719 5.189 4.470 -0.000 0.000 0.306 69 S C -0.842 173.758 174.600 -0.001 0.000 1.100 69 S CA -0.633 57.567 58.200 0.001 0.000 1.087 69 S CB 1.078 64.285 63.200 0.012 0.000 1.019 69 S HN 0.997 nan 8.310 nan 0.000 0.480 70 D N 1.767 122.168 120.400 0.002 0.000 2.559 70 D HA 0.370 5.009 4.640 -0.000 0.000 0.250 70 D C -0.271 176.038 176.300 0.014 0.000 1.135 70 D CA -0.783 53.218 54.000 0.002 0.000 0.955 70 D CB 0.561 41.356 40.800 -0.009 0.000 1.442 70 D HN 0.364 nan 8.370 nan 0.000 0.471 71 N N -0.387 118.322 118.700 0.015 0.000 2.389 71 N HA 0.229 4.968 4.740 -0.000 0.000 0.260 71 N C 0.469 175.997 175.510 0.030 0.000 1.191 71 N CA -0.497 52.568 53.050 0.025 0.000 0.885 71 N CB 0.408 38.907 38.487 0.021 0.000 1.162 71 N HN 0.513 nan 8.380 nan 0.000 0.512 72 G N 0.193 109.009 108.800 0.026 0.000 2.525 72 G HA2 0.047 4.007 3.960 -0.000 0.000 0.276 72 G HA3 0.047 4.007 3.960 -0.000 0.000 0.276 72 G C 1.346 176.279 174.900 0.055 0.000 1.388 72 G CA 0.006 45.123 45.100 0.029 0.000 1.050 72 G HN 0.511 nan 8.290 nan 0.000 0.520 73 C N -1.366 117.965 119.300 0.053 0.000 2.422 73 C HA 0.445 4.905 4.460 -0.000 0.000 0.286 73 C C 1.679 176.722 174.990 0.089 0.000 1.412 73 C CA -0.077 58.995 59.018 0.091 0.000 1.786 73 C CB -1.847 25.912 27.740 0.031 0.000 1.835 73 C HN 2.093 nan 8.230 nan 0.000 0.533 74 G N -0.191 108.635 108.800 0.043 0.000 2.855 74 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.352 74 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.352 74 G C -0.755 174.131 174.900 -0.022 0.000 1.415 74 G CA -0.255 44.877 45.100 0.052 0.000 0.871 74 G HN 1.132 nan 8.290 nan 0.000 0.543 75 V N 0.902 120.857 119.914 0.069 0.000 2.398 75 V HA 0.434 4.554 4.120 -0.000 0.000 0.286 75 V C 0.551 176.791 176.094 0.245 0.000 1.026 75 V CA -0.571 61.796 62.300 0.112 0.000 0.868 75 V CB 1.473 33.416 31.823 0.200 0.000 0.982 75 V HN 0.784 nan 8.190 nan 0.000 0.443 76 E N 2.455 122.671 120.200 0.028 0.000 2.414 76 E HA 0.004 4.354 4.350 -0.000 0.000 0.263 76 E C 1.039 177.514 176.600 -0.208 0.000 1.000 76 E CA 0.066 56.470 56.400 0.007 0.000 0.914 76 E CB 0.833 30.511 29.700 -0.037 0.000 0.948 76 E HN 0.797 nan 8.360 nan 0.000 0.444 77 E N 3.291 123.161 120.200 -0.551 0.000 2.284 77 E HA -0.305 4.045 4.350 -0.000 0.000 0.200 77 E C 0.780 176.766 176.600 -1.023 0.000 1.008 77 E CA 1.403 56.821 56.400 -1.636 0.000 0.829 77 E CB 0.175 29.378 29.700 -0.827 0.000 0.744 77 E HN 0.546 nan 8.360 nan 0.000 0.491 78 E N 0.067 120.003 120.200 -0.440 0.000 2.106 78 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 78 E C 0.917 177.440 176.600 -0.128 0.000 0.984 78 E CA 0.979 57.245 56.400 -0.223 0.000 0.806 78 E CB -0.010 29.621 29.700 -0.116 0.000 0.750 78 E HN 0.381 nan 8.360 nan 0.000 0.458 79 N N 0.260 118.920 118.700 -0.067 0.000 2.279 79 N HA 0.032 4.772 4.740 -0.000 0.000 0.226 79 N C 0.560 176.207 175.510 0.229 0.000 1.126 79 N CA 0.015 53.102 53.050 0.062 0.000 0.846 79 N CB 0.200 38.719 38.487 0.053 0.000 1.050 79 N HN 0.033 nan 8.380 nan 0.000 0.502 80 F N 2.184 122.157 119.950 0.039 0.000 2.202 80 F HA -0.077 4.450 4.527 0.000 0.000 0.301 80 F C 2.011 177.875 175.800 0.106 0.000 1.082 80 F CA 0.636 58.678 58.000 0.070 0.000 1.313 80 F CB -0.271 38.756 39.000 0.045 0.000 1.024 80 F HN 0.170 nan 8.300 nan 0.000 0.495 81 E N -1.028 119.334 120.200 0.270 0.000 2.442 81 E HA 0.031 4.381 4.350 -0.000 0.000 0.195 81 E C 2.417 179.098 176.600 0.135 0.000 1.030 81 E CA 0.602 57.113 56.400 0.185 0.000 0.869 81 E CB -0.311 29.462 29.700 0.121 0.000 0.857 81 E HN 0.393 nan 8.360 nan 0.000 0.505 82 G N 1.638 110.509 108.800 0.119 0.000 2.511 82 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.217 82 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.217 82 G C 1.386 176.319 174.900 0.055 0.000 1.133 82 G CA -0.043 45.100 45.100 0.072 0.000 0.792 82 G HN 0.118 nan 8.290 nan 0.000 0.539 83 L N 1.991 123.258 121.223 0.074 0.000 2.747 83 L HA 0.198 4.537 4.340 -0.000 0.000 0.248 83 L C 0.835 177.653 176.870 -0.087 0.000 1.191 83 L CA 0.728 55.569 54.840 0.002 0.000 1.003 83 L CB -0.590 41.476 42.059 0.012 0.000 1.235 83 L HN 0.306 nan 8.230 nan 0.000 0.426 84 T N -4.017 110.519 114.554 -0.030 0.000 5.101 84 T HA 0.202 4.552 4.350 -0.000 0.000 0.314 84 T C -0.632 174.074 174.700 0.010 0.000 0.900 84 T CA -0.569 61.497 62.100 -0.057 0.000 0.704 84 T CB -0.597 68.223 68.868 -0.080 0.000 0.734 84 T HN 0.032 nan 8.240 nan 0.000 0.331 109 E N 1.433 121.609 120.200 -0.039 0.000 2.112 109 E HA 0.340 4.690 4.350 -0.000 0.000 0.190 109 E C 2.636 179.210 176.600 -0.043 0.000 0.979 109 E CA 1.227 57.607 56.400 -0.033 0.000 0.814 109 E CB -0.107 29.582 29.700 -0.018 0.000 0.762 109 E HN 0.439 nan 8.360 nan 0.000 0.460 110 A N 0.997 123.787 122.820 -0.049 0.000 1.858 110 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 110 A C 2.160 179.695 177.584 -0.081 0.000 1.190 110 A CA 1.142 53.148 52.037 -0.053 0.000 0.617 110 A CB -0.773 18.196 19.000 -0.051 0.000 0.827 110 A HN 0.188 nan 8.150 nan 0.000 0.443 111 L N -0.478 120.675 121.223 -0.117 0.000 2.131 111 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 111 L C 2.844 179.604 176.870 -0.184 0.000 1.092 111 L CA 1.395 56.124 54.840 -0.184 0.000 0.759 111 L CB -0.583 41.314 42.059 -0.270 0.000 0.903 111 L HN 0.503 nan 8.230 nan 0.000 0.435 112 S N 0.104 115.724 115.700 -0.132 0.000 2.368 112 S HA -0.191 4.279 4.470 -0.000 0.000 0.225 112 S C 2.270 176.840 174.600 -0.051 0.000 1.030 112 S CA 1.799 59.945 58.200 -0.090 0.000 0.999 112 S CB -0.169 63.001 63.200 -0.050 0.000 0.844 112 S HN 0.627 nan 8.310 nan 0.000 0.459 113 S N 1.310 116.986 115.700 -0.041 0.000 2.402 113 S HA 0.063 4.533 4.470 -0.000 0.000 0.229 113 S C 1.898 176.487 174.600 -0.018 0.000 1.021 113 S CA 0.976 59.167 58.200 -0.015 0.000 0.974 113 S CB -0.724 62.471 63.200 -0.008 0.000 0.800 113 S HN 0.525 nan 8.310 nan 0.000 0.484 114 L N 0.697 121.888 121.223 -0.054 0.000 2.093 114 L HA -0.051 4.289 4.340 -0.000 0.000 0.208 114 L C 2.777 179.627 176.870 -0.034 0.000 1.085 114 L CA 0.807 55.606 54.840 -0.068 0.000 0.755 114 L CB -0.777 41.220 42.059 -0.103 0.000 0.904 114 L HN 0.421 nan 8.230 nan 0.000 0.435 115 C N -0.192 119.081 119.300 -0.045 0.000 2.425 115 C HA -0.141 4.319 4.460 -0.000 0.000 0.277 115 C C 3.090 178.179 174.990 0.164 0.000 1.280 115 C CA 0.792 59.822 59.018 0.019 0.000 1.744 115 C CB -1.002 26.711 27.740 -0.046 0.000 1.989 115 C HN 0.608 nan 8.230 nan 0.000 0.491 116 A N -0.204 122.675 122.820 0.098 0.000 2.015 116 A HA 0.024 4.344 4.320 -0.000 0.000 0.219 116 A C 1.915 179.520 177.584 0.035 0.000 1.163 116 A CA 1.231 53.326 52.037 0.096 0.000 0.646 116 A CB -0.365 18.665 19.000 0.050 0.000 0.806 116 A HN 0.648 nan 8.150 nan 0.000 0.448 117 L N -0.528 120.724 121.223 0.048 0.000 2.616 117 L HA 0.169 4.509 4.340 -0.000 0.000 0.229 117 L C 0.806 177.689 176.870 0.021 0.000 1.110 117 L CA 0.467 55.328 54.840 0.035 0.000 0.884 117 L CB -0.004 42.097 42.059 0.070 0.000 1.115 117 L HN 0.530 nan 8.230 nan 0.000 0.481 118 S N -3.094 112.661 115.700 0.092 0.000 2.703 118 S HA 0.352 4.822 4.470 -0.000 0.000 0.273 118 S C -1.640 173.094 174.600 0.223 0.000 1.178 118 S CA -1.052 57.223 58.200 0.124 0.000 0.838 118 S CB 1.737 64.942 63.200 0.009 0.000 1.178 118 S HN -0.096 nan 8.310 nan 0.000 0.494 119 D N 1.248 121.730 120.400 0.135 0.000 2.359 119 D HA 0.518 5.158 4.640 -0.000 0.000 0.230 119 D C -0.785 175.537 176.300 0.036 0.000 1.118 119 D CA -0.074 53.964 54.000 0.064 0.000 0.844 119 D CB 1.641 42.467 40.800 0.043 0.000 1.059 119 D HN 0.386 nan 8.370 nan 0.000 0.493 120 V N 2.769 122.708 119.914 0.043 0.000 2.394 120 V HA 0.343 4.462 4.120 -0.000 0.000 0.282 120 V C 0.480 176.660 176.094 0.143 0.000 1.031 120 V CA -0.288 62.037 62.300 0.041 0.000 0.881 120 V CB 1.803 33.590 31.823 -0.059 0.000 0.982 120 V HN 0.457 nan 8.190 nan 0.000 0.451 121 T N 6.403 121.000 114.554 0.071 0.000 2.829 121 T HA 0.730 5.080 4.350 -0.000 0.000 0.280 121 T C -0.481 174.240 174.700 0.034 0.000 0.999 121 T CA -0.268 61.864 62.100 0.053 0.000 0.983 121 T CB 1.366 70.211 68.868 -0.039 0.000 0.968 121 T HN 0.399 nan 8.240 nan 0.000 0.446 122 I N 2.649 123.244 120.570 0.042 0.000 2.569 122 I HA 0.427 4.597 4.170 -0.000 0.000 0.290 122 I C -0.115 175.923 176.117 -0.132 0.000 1.088 122 I CA -0.799 60.493 61.300 -0.013 0.000 1.047 122 I CB 2.210 40.258 38.000 0.080 0.000 1.237 122 I HN 0.682 nan 8.210 nan 0.000 0.421 123 S N 3.291 118.903 115.700 -0.146 0.000 2.503 123 S HA 0.838 5.308 4.470 -0.000 0.000 0.301 123 S C -0.593 173.967 174.600 -0.067 0.000 1.087 123 S CA -0.589 57.508 58.200 -0.171 0.000 1.042 123 S CB 2.355 65.417 63.200 -0.230 0.000 1.043 123 S HN 0.670 nan 8.310 nan 0.000 0.489 124 T N 0.261 114.796 114.554 -0.032 0.000 2.840 124 T HA 0.589 4.939 4.350 -0.000 0.000 0.317 124 T C -1.953 172.815 174.700 0.113 0.000 1.401 124 T CA -0.474 61.642 62.100 0.028 0.000 1.028 124 T CB 1.444 70.302 68.868 -0.017 0.000 1.317 124 T HN 1.204 nan 8.240 nan 0.000 0.495 125 C N 3.810 123.196 119.300 0.143 0.000 2.716 125 C HA 0.690 5.150 4.460 -0.000 0.000 0.366 125 C C -0.928 174.188 174.990 0.211 0.000 1.073 125 C CA -0.543 58.579 59.018 0.173 0.000 1.260 125 C CB -0.019 27.798 27.740 0.129 0.000 1.755 125 C HN 1.078 nan 8.230 nan 0.000 0.475 126 H N 3.148 122.280 119.070 0.103 0.000 2.488 126 H HA 0.593 5.149 4.556 -0.001 0.000 0.347 126 H C 0.971 176.330 175.328 0.051 0.000 1.174 126 H CA 0.558 56.650 56.048 0.074 0.000 1.307 126 H CB 2.010 31.817 29.762 0.075 0.000 1.517 126 H HN 0.800 nan 8.280 nan 0.000 0.554 127 A N 2.158 124.809 122.820 -0.282 0.000 1.917 127 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 127 A C 2.102 179.533 177.584 -0.256 0.000 1.182 127 A CA 2.237 54.119 52.037 -0.259 0.000 0.633 127 A CB -1.110 17.747 19.000 -0.237 0.000 0.819 127 A HN 0.740 nan 8.150 nan 0.000 0.448 128 S N -0.867 114.578 115.700 -0.424 0.000 2.720 128 S HA 0.512 4.981 4.470 -0.000 0.000 0.222 128 S C 0.574 175.119 174.600 -0.092 0.000 0.958 128 S CA 0.238 58.309 58.200 -0.215 0.000 0.943 128 S CB -0.666 62.412 63.200 -0.202 0.000 0.779 128 S HN 0.929 nan 8.310 nan 0.000 0.526 129 A N 1.307 124.095 122.820 -0.053 0.000 2.324 129 A HA 0.649 4.969 4.320 -0.000 0.000 0.330 129 A C 0.999 178.590 177.584 0.012 0.000 1.165 129 A CA -0.924 51.120 52.037 0.013 0.000 0.813 129 A CB 0.964 20.011 19.000 0.078 0.000 1.197 129 A HN 0.112 nan 8.150 nan 0.000 0.484 130 K N 0.773 121.182 120.400 0.015 0.000 2.031 130 K HA 0.026 4.345 4.320 -0.000 0.000 0.205 130 K C 0.601 177.213 176.600 0.020 0.000 1.049 130 K CA 1.300 57.594 56.287 0.011 0.000 0.939 130 K CB -0.315 32.190 32.500 0.008 0.000 0.717 130 K HN 0.498 nan 8.250 nan 0.000 0.438 131 V N -0.313 119.624 119.914 0.039 0.000 3.040 131 V HA 0.598 4.718 4.120 -0.000 0.000 0.312 131 V C -0.278 175.871 176.094 0.092 0.000 1.115 131 V CA -0.686 61.643 62.300 0.048 0.000 0.998 131 V CB 1.874 33.719 31.823 0.036 0.000 1.042 131 V HN 0.380 nan 8.190 nan 0.000 0.433 132 G N 1.995 110.861 108.800 0.111 0.000 2.563 132 G HA2 0.589 4.549 3.960 -0.000 0.000 0.283 132 G HA3 0.589 4.549 3.960 -0.000 0.000 0.283 132 G C -0.475 174.541 174.900 0.194 0.000 1.309 132 G CA -0.125 45.074 45.100 0.166 0.000 1.022 132 G HN 0.852 nan 8.290 nan 0.000 0.501 133 T N -0.739 113.921 114.554 0.176 0.000 2.900 133 T HA 0.583 4.933 4.350 -0.000 0.000 0.295 133 T C -0.501 174.170 174.700 -0.048 0.000 1.044 133 T CA -0.581 61.583 62.100 0.107 0.000 0.995 133 T CB 2.110 71.062 68.868 0.141 0.000 1.072 133 T HN 0.551 nan 8.240 nan 0.000 0.473 134 R N 2.522 122.958 120.500 -0.107 0.000 2.480 134 R HA 0.725 5.065 4.340 -0.000 0.000 0.306 134 R C -1.270 174.877 176.300 -0.255 0.000 0.958 134 R CA -0.563 55.373 56.100 -0.274 0.000 0.861 134 R CB 0.627 30.666 30.300 -0.437 0.000 1.171 134 R HN 0.582 nan 8.270 nan 0.000 0.445 138 D N -0.094 120.323 120.400 0.029 0.000 2.478 138 D HA 0.185 4.825 4.640 -0.000 0.000 0.269 138 D C 0.783 177.010 176.300 -0.122 0.000 1.232 138 D CA -0.139 53.780 54.000 -0.134 0.000 1.059 138 D CB 0.367 41.124 40.800 -0.072 0.000 1.104 138 D HN 0.550 nan 8.370 nan 0.000 0.566 139 H N -1.222 117.883 119.070 0.059 0.000 2.559 139 H HA 0.063 4.619 4.556 -0.000 0.000 0.273 139 H C 0.423 175.775 175.328 0.040 0.000 1.000 139 H CA 0.591 56.665 56.048 0.044 0.000 1.195 139 H CB -0.400 29.382 29.762 0.032 0.000 1.368 139 H HN 0.496 nan 8.280 nan 0.000 0.592 140 N N -0.381 118.395 118.700 0.126 0.000 2.280 140 N HA 0.090 4.830 4.740 -0.000 0.000 0.192 140 N C 1.036 176.599 175.510 0.088 0.000 1.109 140 N CA 0.377 53.483 53.050 0.093 0.000 0.855 140 N CB 0.879 39.411 38.487 0.075 0.000 0.974 140 N HN 0.315 nan 8.380 nan 0.000 0.482 141 G N 1.597 110.463 108.800 0.111 0.000 2.136 141 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.242 141 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.242 141 G C 0.018 175.090 174.900 0.287 0.000 0.989 141 G CA -0.053 45.134 45.100 0.145 0.000 0.682 141 G HN 0.349 nan 8.290 nan 0.000 0.522 142 K N 0.494 121.013 120.400 0.197 0.000 2.205 142 K HA 0.602 4.922 4.320 -0.000 0.000 0.279 142 K C 0.888 177.514 176.600 0.043 0.000 1.027 142 K CA -0.978 55.386 56.287 0.129 0.000 0.932 142 K CB 0.347 32.881 32.500 0.056 0.000 1.032 142 K HN 0.199 nan 8.250 nan 0.000 0.466 143 I N 6.388 126.909 120.570 -0.083 0.000 2.587 143 I HA -0.089 4.081 4.170 -0.000 0.000 0.284 143 I C 1.213 177.199 176.117 -0.218 0.000 1.134 143 I CA 0.243 61.327 61.300 -0.361 0.000 1.410 143 I CB 0.421 38.232 38.000 -0.315 0.000 1.392 143 I HN 0.726 nan 8.210 nan 0.000 0.545 144 I N 4.464 124.885 120.570 -0.248 0.000 2.628 144 I HA 0.001 4.171 4.170 -0.000 0.000 0.255 144 I C 0.956 176.988 176.117 -0.142 0.000 1.119 144 I CA 0.702 61.911 61.300 -0.151 0.000 1.448 144 I CB 0.141 38.062 38.000 -0.132 0.000 1.133 144 I HN 0.630 nan 8.210 nan 0.000 0.438 145 Q N 1.248 120.934 119.800 -0.190 0.000 2.345 145 Q HA 0.360 4.700 4.340 -0.000 0.000 0.275 145 Q C -1.187 174.706 176.000 -0.177 0.000 1.063 145 Q CA -0.726 54.991 55.803 -0.145 0.000 0.819 145 Q CB 2.496 31.163 28.738 -0.118 0.000 1.356 145 Q HN -0.034 nan 8.270 nan 0.000 0.418 146 K N 2.276 122.609 120.400 -0.111 0.000 2.601 146 K HA 0.468 4.788 4.320 -0.000 0.000 0.249 146 K C -1.612 174.972 176.600 -0.025 0.000 0.966 146 K CA -0.220 56.015 56.287 -0.087 0.000 0.827 146 K CB 1.586 34.062 32.500 -0.040 0.000 1.178 146 K HN 0.766 nan 8.250 nan 0.000 0.437 147 T N 0.862 115.408 114.554 -0.014 0.000 2.896 147 T HA 0.582 4.931 4.350 -0.000 0.000 0.297 147 T C -2.899 171.850 174.700 0.081 0.000 1.108 147 T CA -2.230 59.890 62.100 0.034 0.000 1.004 147 T CB 1.788 70.678 68.868 0.036 0.000 1.159 147 T HN 0.222 nan 8.240 nan 0.000 0.499 148 P HA 0.406 nan 4.420 nan 0.000 0.272 148 P C -1.691 175.724 177.300 0.192 0.000 1.223 148 P CA -0.155 63.018 63.100 0.122 0.000 0.784 148 P CB 0.116 31.863 31.700 0.077 0.000 0.923 149 Y N 2.556 122.867 120.300 0.018 0.000 2.442 149 Y HA 0.377 4.927 4.550 -0.001 0.000 0.330 149 Y C -2.764 173.144 175.900 0.013 0.000 1.100 149 Y CA -2.580 55.525 58.100 0.008 0.000 1.034 149 Y CB 1.931 40.389 38.460 -0.004 0.000 1.285 149 Y HN 0.283 nan 8.280 nan 0.000 0.440 150 P HA 0.399 nan 4.420 nan 0.000 0.282 150 P C -1.502 175.641 177.300 -0.263 0.000 1.274 150 P CA -0.034 62.899 63.100 -0.277 0.000 0.770 150 P CB 0.625 32.156 31.700 -0.281 0.000 0.867 151 R N 2.684 123.152 120.500 -0.052 0.000 2.728 151 R HA 0.598 4.938 4.340 -0.000 0.000 0.259 151 R C -3.110 173.216 176.300 0.043 0.000 1.057 151 R CA -1.535 54.583 56.100 0.029 0.000 0.908 151 R CB -0.599 29.802 30.300 0.169 0.000 1.259 151 R HN 0.098 nan 8.270 nan 0.000 0.472 152 P HA 0.117 nan 4.420 nan 0.000 0.273 152 P C -0.780 176.553 177.300 0.055 0.000 1.250 152 P CA -0.650 62.471 63.100 0.036 0.000 0.793 152 P CB 0.521 32.238 31.700 0.027 0.000 1.011 153 R N 0.063 120.594 120.500 0.051 0.000 2.640 153 R HA 0.359 4.699 4.340 -0.000 0.000 0.270 153 R C 0.475 176.817 176.300 0.070 0.000 1.024 153 R CA 1.366 57.508 56.100 0.071 0.000 1.085 153 R CB -0.711 29.627 30.300 0.063 0.000 0.963 153 R HN 0.850 nan 8.270 nan 0.000 0.426 154 G N 1.417 110.268 108.800 0.085 0.000 2.298 154 G HA2 -0.055 3.904 3.960 -0.000 0.000 0.309 154 G HA3 -0.055 3.904 3.960 -0.000 0.000 0.309 154 G C -1.406 173.527 174.900 0.056 0.000 1.279 154 G CA -0.410 44.728 45.100 0.063 0.000 1.042 154 G HN 0.666 nan 8.290 nan 0.000 0.480 155 T N -0.143 114.430 114.554 0.031 0.000 2.900 155 T HA 0.743 5.093 4.350 -0.000 0.000 0.303 155 T C -0.920 173.781 174.700 0.002 0.000 1.142 155 T CA -0.311 61.797 62.100 0.013 0.000 1.007 155 T CB 2.102 70.968 68.868 -0.003 0.000 1.156 155 T HN 0.814 nan 8.240 nan 0.000 0.490 156 T N 1.870 116.417 114.554 -0.011 0.000 2.881 156 T HA 0.539 4.889 4.350 -0.000 0.000 0.291 156 T C -0.740 173.938 174.700 -0.036 0.000 0.990 156 T CA -0.479 61.611 62.100 -0.017 0.000 0.976 156 T CB 1.139 70.003 68.868 -0.006 0.000 0.970 156 T HN 0.409 nan 8.240 nan 0.000 0.438 157 V N 3.500 123.391 119.914 -0.037 0.000 2.357 157 V HA 0.473 4.593 4.120 -0.000 0.000 0.284 157 V C -0.034 176.037 176.094 -0.038 0.000 1.018 157 V CA -0.661 61.611 62.300 -0.047 0.000 0.841 157 V CB 1.649 33.434 31.823 -0.062 0.000 0.991 157 V HN 0.940 nan 8.190 nan 0.000 0.437 158 S N 4.197 119.876 115.700 -0.035 0.000 2.438 158 S HA 0.503 4.973 4.470 -0.000 0.000 0.316 158 S C -0.255 174.332 174.600 -0.023 0.000 1.084 158 S CA -0.497 57.688 58.200 -0.024 0.000 1.107 158 S CB 1.489 64.674 63.200 -0.024 0.000 0.981 158 S HN 0.440 nan 8.310 nan 0.000 0.466 159 V N 4.813 124.713 119.914 -0.023 0.000 2.304 159 V HA 0.282 4.402 4.120 -0.000 0.000 0.269 159 V C -0.157 175.935 176.094 -0.004 0.000 1.036 159 V CA -0.583 61.700 62.300 -0.028 0.000 0.840 159 V CB 0.710 32.498 31.823 -0.058 0.000 1.036 159 V HN 0.785 nan 8.190 nan 0.000 0.466 160 Q N 3.570 123.376 119.800 0.011 0.000 2.278 160 Q HA 0.491 4.830 4.340 -0.000 0.000 0.257 160 Q C -0.238 175.794 176.000 0.054 0.000 0.928 160 Q CA -0.394 55.428 55.803 0.032 0.000 0.932 160 Q CB 1.056 29.810 28.738 0.027 0.000 1.221 160 Q HN 0.684 nan 8.270 nan 0.000 0.434 161 Q N 0.991 120.842 119.800 0.084 0.000 2.454 161 Q HA -0.219 4.121 4.340 -0.000 0.000 0.341 161 Q C -0.755 175.330 176.000 0.141 0.000 1.437 161 Q CA -0.107 55.781 55.803 0.141 0.000 0.935 161 Q CB -1.324 27.470 28.738 0.094 0.000 1.164 161 Q HN 0.532 nan 8.270 nan 0.000 0.373 162 L N 0.573 121.848 121.223 0.087 0.000 2.540 162 L HA 0.001 4.341 4.340 -0.000 0.000 0.276 162 L C 0.463 177.298 176.870 -0.058 0.000 1.212 162 L CA 1.182 55.911 54.840 -0.185 0.000 0.893 162 L CB -0.185 41.586 42.059 -0.480 0.000 1.138 162 L HN 0.472 nan 8.230 nan 0.000 0.491 163 F N 1.197 121.222 119.950 0.125 0.000 2.699 163 F HA -0.308 4.218 4.527 -0.000 0.000 0.343 163 F C 1.909 177.794 175.800 0.143 0.000 0.633 163 F CA 1.061 59.134 58.000 0.122 0.000 1.365 163 F CB -2.638 36.448 39.000 0.143 0.000 1.795 163 F HN 0.638 nan 8.300 nan 0.000 0.304 164 S N -0.523 115.306 115.700 0.216 0.000 2.419 164 S HA -0.210 4.259 4.470 -0.000 0.000 0.235 164 S C 1.919 176.504 174.600 -0.026 0.000 1.019 164 S CA 1.671 59.869 58.200 -0.003 0.000 0.982 164 S CB -0.870 62.292 63.200 -0.063 0.000 0.789 164 S HN 0.664 nan 8.310 nan 0.000 0.490 165 T N -0.320 114.210 114.554 -0.040 0.000 3.072 165 T HA 0.257 4.606 4.350 -0.000 0.000 0.266 165 T C 0.671 175.353 174.700 -0.031 0.000 1.127 165 T CA 0.288 62.316 62.100 -0.120 0.000 1.107 165 T CB -0.491 68.207 68.868 -0.284 0.000 0.910 165 T HN 0.418 nan 8.240 nan 0.000 0.513 166 L N 1.398 122.653 121.223 0.052 0.000 2.495 166 L HA 0.349 4.689 4.340 -0.000 0.000 0.248 166 L C -1.976 174.952 176.870 0.097 0.000 1.229 166 L CA -2.248 52.625 54.840 0.055 0.000 0.942 166 L CB 1.880 43.968 42.059 0.050 0.000 1.242 166 L HN -0.097 nan 8.230 nan 0.000 0.484 167 P HA -0.258 nan 4.420 nan 0.000 0.220 167 P C 1.769 179.145 177.300 0.127 0.000 1.155 167 P CA 1.268 64.431 63.100 0.104 0.000 0.880 167 P CB 0.355 32.084 31.700 0.049 0.000 0.790 168 V N -0.728 119.223 119.914 0.063 0.000 2.307 168 V HA -0.206 3.914 4.120 -0.000 0.000 0.245 168 V C 2.585 178.685 176.094 0.010 0.000 1.045 168 V CA 1.668 63.987 62.300 0.031 0.000 1.024 168 V CB -0.833 30.988 31.823 -0.003 0.000 0.651 168 V HN 0.058 nan 8.190 nan 0.000 0.449 169 R N -0.871 119.610 120.500 -0.031 0.000 2.092 169 R HA -0.130 4.210 4.340 -0.000 0.000 0.231 169 R C 2.321 178.614 176.300 -0.011 0.000 1.119 169 R CA 1.359 57.348 56.100 -0.185 0.000 0.970 169 R CB -0.790 29.244 30.300 -0.443 0.000 0.864 169 R HN 0.684 nan 8.270 nan 0.000 0.440 170 H N 0.631 119.778 119.070 0.127 0.000 2.353 170 H HA -0.133 4.422 4.556 -0.000 0.000 0.300 170 H C 1.768 177.230 175.328 0.223 0.000 1.090 170 H CA 1.930 58.155 56.048 0.295 0.000 1.327 170 H CB 0.384 30.282 29.762 0.227 0.000 1.383 170 H HN -0.083 nan 8.280 nan 0.000 0.508 171 K N 0.739 121.207 120.400 0.113 0.000 2.103 171 K HA -0.081 4.239 4.320 -0.000 0.000 0.204 171 K C 2.110 178.716 176.600 0.009 0.000 1.052 171 K CA 1.191 57.499 56.287 0.035 0.000 0.945 171 K CB 0.044 32.590 32.500 0.076 0.000 0.722 171 K HN 0.243 nan 8.250 nan 0.000 0.443 172 E N -0.284 119.932 120.200 0.027 0.000 2.204 172 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 172 E C 1.736 178.396 176.600 0.100 0.000 0.989 172 E CA 0.559 56.973 56.400 0.024 0.000 0.824 172 E CB -0.303 29.386 29.700 -0.019 0.000 0.756 172 E HN 0.280 nan 8.360 nan 0.000 0.477 173 F N 2.397 122.304 119.950 -0.072 0.000 2.075 173 F HA -0.163 4.364 4.527 -0.000 0.000 0.297 173 F C 2.138 177.915 175.800 -0.038 0.000 1.113 173 F CA 1.579 59.577 58.000 -0.004 0.000 1.218 173 F CB -0.606 38.470 39.000 0.126 0.000 0.984 173 F HN -0.026 nan 8.300 nan 0.000 0.472 174 Q N -0.062 119.634 119.800 -0.173 0.000 2.061 174 Q HA -0.208 4.131 4.340 -0.000 0.000 0.204 174 Q C 2.427 178.349 176.000 -0.131 0.000 0.984 174 Q CA 1.742 57.380 55.803 -0.276 0.000 0.846 174 Q CB -0.352 28.241 28.738 -0.240 0.000 0.902 174 Q HN 0.390 nan 8.270 nan 0.000 0.421 175 R N 0.509 120.973 120.500 -0.060 0.000 2.091 175 R HA -0.074 4.266 4.340 -0.000 0.000 0.238 175 R C 0.784 177.072 176.300 -0.020 0.000 1.136 175 R CA 1.052 57.133 56.100 -0.031 0.000 0.959 175 R CB -0.049 30.244 30.300 -0.011 0.000 0.856 175 R HN 0.303 nan 8.270 nan 0.000 0.437 176 N N 0.631 119.339 118.700 0.012 0.000 2.321 176 N HA -0.008 4.732 4.740 -0.000 0.000 0.242 176 N C 0.950 176.491 175.510 0.053 0.000 1.141 176 N CA 0.014 53.083 53.050 0.031 0.000 0.864 176 N CB 0.627 39.146 38.487 0.054 0.000 1.100 176 N HN 0.115 nan 8.380 nan 0.000 0.510 177 I N 1.586 122.148 120.570 -0.014 0.000 2.335 177 I HA -0.235 3.935 4.170 -0.000 0.000 0.251 177 I C 2.230 178.315 176.117 -0.052 0.000 1.129 177 I CA 1.549 62.821 61.300 -0.046 0.000 1.402 177 I CB -0.005 37.869 38.000 -0.211 0.000 1.069 177 I HN 0.055 nan 8.210 nan 0.000 0.424 178 K N 0.600 120.945 120.400 -0.093 0.000 2.009 178 K HA -0.286 4.034 4.320 -0.000 0.000 0.210 178 K C 2.369 178.975 176.600 0.010 0.000 1.049 178 K CA 2.050 58.283 56.287 -0.091 0.000 0.929 178 K CB -0.298 32.155 32.500 -0.078 0.000 0.714 178 K HN 0.327 nan 8.250 nan 0.000 0.440 179 K N 0.074 120.487 120.400 0.021 0.000 2.103 179 K HA -0.119 4.201 4.320 -0.000 0.000 0.204 179 K C 1.828 178.467 176.600 0.065 0.000 1.052 179 K CA 1.300 57.608 56.287 0.034 0.000 0.945 179 K CB 0.143 32.657 32.500 0.023 0.000 0.722 179 K HN 0.122 nan 8.250 nan 0.000 0.443 180 E N -0.099 120.172 120.200 0.119 0.000 2.106 180 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 180 E C 1.769 178.487 176.600 0.196 0.000 0.984 180 E CA 0.948 57.454 56.400 0.177 0.000 0.806 180 E CB -0.350 29.545 29.700 0.324 0.000 0.750 180 E HN 0.409 nan 8.360 nan 0.000 0.458 181 Y N 1.358 121.695 120.300 0.062 0.000 2.242 181 Y HA -0.097 4.453 4.550 -0.000 0.000 0.291 181 Y C 2.207 178.118 175.900 0.018 0.000 1.137 181 Y CA 1.220 59.347 58.100 0.045 0.000 1.181 181 Y CB -0.363 38.052 38.460 -0.076 0.000 0.989 181 Y HN -0.000 nan 8.280 nan 0.000 0.527 182 A N 0.701 123.512 122.820 -0.015 0.000 1.902 182 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 182 A C 1.632 179.153 177.584 -0.106 0.000 1.181 182 A CA 0.957 52.942 52.037 -0.087 0.000 0.623 182 A CB -0.526 18.466 19.000 -0.013 0.000 0.818 182 A HN 0.407 nan 8.150 nan 0.000 0.443 186 Q N 1.017 120.739 119.800 -0.129 0.000 2.079 186 Q HA -0.076 4.263 4.340 -0.000 0.000 0.200 186 Q C 1.997 178.093 176.000 0.160 0.000 0.974 186 Q CA 2.514 58.358 55.803 0.067 0.000 0.840 186 Q CB -0.271 28.462 28.738 -0.008 0.000 0.898 186 Q HN 0.529 nan 8.270 nan 0.000 0.430 187 V N 0.357 120.314 119.914 0.072 0.000 2.358 187 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 187 V C 2.167 178.390 176.094 0.215 0.000 1.047 187 V CA 1.542 63.920 62.300 0.130 0.000 1.035 187 V CB -0.676 31.226 31.823 0.132 0.000 0.658 187 V HN 0.395 nan 8.190 nan 0.000 0.452 188 L N 0.047 121.348 121.223 0.130 0.000 1.989 188 L HA -0.215 4.125 4.340 -0.000 0.000 0.211 188 L C 2.373 179.370 176.870 0.212 0.000 1.071 188 L CA 2.183 57.112 54.840 0.147 0.000 0.749 188 L CB -1.002 41.063 42.059 0.010 0.000 0.890 188 L HN 0.438 nan 8.230 nan 0.000 0.431 189 H N -0.956 118.163 119.070 0.082 0.000 2.387 189 H HA -0.116 4.440 4.556 -0.000 0.000 0.299 189 H C 2.168 177.415 175.328 -0.135 0.000 1.090 189 H CA 0.689 56.712 56.048 -0.042 0.000 1.332 189 H CB -0.021 29.772 29.762 0.052 0.000 1.386 189 H HN 0.583 nan 8.280 nan 0.000 0.516 190 A N 0.900 123.814 122.820 0.157 0.000 1.865 190 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 190 A C 1.910 179.596 177.584 0.170 0.000 1.191 190 A CA 1.640 53.764 52.037 0.145 0.000 0.623 190 A CB -0.989 18.076 19.000 0.109 0.000 0.826 190 A HN 0.401 nan 8.150 nan 0.000 0.444 191 Y N -0.603 119.812 120.300 0.192 0.000 2.242 191 Y HA -0.207 4.343 4.550 -0.000 0.000 0.291 191 Y C 2.871 178.800 175.900 0.047 0.000 1.137 191 Y CA 0.835 59.012 58.100 0.130 0.000 1.181 191 Y CB -0.944 37.573 38.460 0.096 0.000 0.989 191 Y HN 0.394 nan 8.280 nan 0.000 0.527 192 C N -0.147 119.253 119.300 0.168 0.000 2.413 192 C HA -0.197 4.263 4.460 -0.000 0.000 0.276 192 C C 2.738 177.720 174.990 -0.013 0.000 1.248 192 C CA 0.937 59.986 59.018 0.052 0.000 1.742 192 C CB -1.306 26.431 27.740 -0.005 0.000 2.017 192 C HN 0.493 nan 8.230 nan 0.000 0.481 193 I N 0.073 120.610 120.570 -0.054 0.000 2.142 193 I HA -0.185 3.984 4.170 -0.000 0.000 0.240 193 I C 2.317 178.359 176.117 -0.126 0.000 1.078 193 I CA 1.591 62.834 61.300 -0.095 0.000 1.343 193 I CB -0.375 37.545 38.000 -0.134 0.000 1.046 193 I HN 0.218 nan 8.210 nan 0.000 0.405 194 I N 0.174 120.630 120.570 -0.191 0.000 2.617 194 I HA -0.082 4.088 4.170 -0.000 0.000 0.256 194 I C 1.347 177.399 176.117 -0.107 0.000 1.167 194 I CA 0.995 62.108 61.300 -0.311 0.000 1.469 194 I CB -0.069 37.576 38.000 -0.591 0.000 1.098 194 I HN -0.045 nan 8.210 nan 0.000 0.436 195 S N 2.656 118.358 115.700 0.002 0.000 4.120 195 S HA 0.438 4.907 4.470 -0.000 0.000 0.215 195 S C 0.512 175.114 174.600 0.004 0.000 1.347 195 S CA -0.148 58.073 58.200 0.036 0.000 0.889 195 S CB -0.791 62.462 63.200 0.088 0.000 1.585 195 S HN 0.384 nan 8.310 nan 0.000 0.447 196 A N 1.212 124.023 122.820 -0.015 0.000 2.462 196 A HA 0.564 4.884 4.320 -0.000 0.000 0.243 196 A C 1.489 179.070 177.584 -0.004 0.000 1.076 196 A CA 0.157 52.187 52.037 -0.012 0.000 0.773 196 A CB -0.364 18.626 19.000 -0.016 0.000 1.010 196 A HN 1.303 nan 8.150 nan 0.000 0.493 197 G N 0.686 109.484 108.800 -0.004 0.000 2.179 197 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.260 197 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.260 197 G C -0.002 174.898 174.900 0.001 0.000 0.977 197 G CA 0.483 45.583 45.100 -0.001 0.000 0.641 197 G HN 0.920 nan 8.290 nan 0.000 0.533 198 I N 0.243 120.814 120.570 0.003 0.000 2.466 198 I HA 0.396 4.566 4.170 -0.000 0.000 0.289 198 I C 0.465 176.583 176.117 0.003 0.000 1.026 198 I CA -1.021 60.281 61.300 0.005 0.000 1.078 198 I CB 1.948 39.954 38.000 0.010 0.000 1.249 198 I HN 0.100 nan 8.210 nan 0.000 0.429 199 R N 6.168 126.669 120.500 0.001 0.000 2.248 199 R HA 0.540 4.880 4.340 -0.000 0.000 0.328 199 R C -1.593 174.709 176.300 0.003 0.000 1.067 199 R CA -0.219 55.881 56.100 -0.000 0.000 0.924 199 R CB 0.773 31.073 30.300 -0.001 0.000 1.013 199 R HN 0.485 nan 8.270 nan 0.000 0.454 200 V N 4.437 124.354 119.914 0.005 0.000 2.448 200 V HA 0.420 4.540 4.120 -0.000 0.000 0.295 200 V C -0.354 175.749 176.094 0.015 0.000 1.025 200 V CA -0.520 61.787 62.300 0.013 0.000 0.859 200 V CB 1.649 33.490 31.823 0.030 0.000 0.988 200 V HN 0.997 nan 8.190 nan 0.000 0.431 201 S N 3.217 118.927 115.700 0.017 0.000 2.651 201 S HA 0.827 5.297 4.470 -0.000 0.000 0.279 201 S C -0.973 173.646 174.600 0.033 0.000 1.148 201 S CA -0.789 57.425 58.200 0.023 0.000 0.837 201 S CB 2.085 65.294 63.200 0.015 0.000 1.138 201 S HN 1.048 nan 8.310 nan 0.000 0.478 202 C N 1.978 121.304 119.300 0.043 0.000 2.880 202 C HA 0.907 5.367 4.460 -0.000 0.000 0.320 202 C C -0.555 174.470 174.990 0.058 0.000 1.176 202 C CA 0.531 59.583 59.018 0.057 0.000 1.390 202 C CB 0.589 28.375 27.740 0.077 0.000 1.846 202 C HN 1.400 nan 8.230 nan 0.000 0.478 203 T N 2.154 116.738 114.554 0.051 0.000 2.896 203 T HA 0.731 5.081 4.350 -0.000 0.000 0.297 203 T C -1.177 173.538 174.700 0.025 0.000 1.108 203 T CA -0.536 61.585 62.100 0.035 0.000 1.004 203 T CB 1.834 70.711 68.868 0.016 0.000 1.159 203 T HN 0.931 nan 8.240 nan 0.000 0.499 204 N N 0.556 119.248 118.700 -0.014 0.000 2.277 204 N HA 0.424 5.164 4.740 -0.000 0.000 0.286 204 N C -1.846 173.584 175.510 -0.134 0.000 1.140 204 N CA -0.511 52.485 53.050 -0.090 0.000 0.799 204 N CB 2.306 40.704 38.487 -0.148 0.000 1.596 204 N HN 0.733 nan 8.380 nan 0.000 0.473 205 Q N 3.018 122.716 119.800 -0.170 0.000 2.292 205 Q HA 0.396 4.736 4.340 -0.000 0.000 0.270 205 Q C -1.919 173.958 176.000 -0.205 0.000 1.024 205 Q CA -0.690 55.024 55.803 -0.148 0.000 0.768 205 Q CB 1.397 30.083 28.738 -0.087 0.000 1.250 205 Q HN 0.699 nan 8.270 nan 0.000 0.447 206 L N 4.450 125.548 121.223 -0.208 0.000 2.287 206 L HA 0.661 5.000 4.340 -0.000 0.000 0.287 206 L C 0.790 177.594 176.870 -0.111 0.000 1.022 206 L CA 1.395 56.110 54.840 -0.208 0.000 0.814 206 L CB 1.153 43.063 42.059 -0.249 0.000 1.217 206 L HN 0.889 nan 8.230 nan 0.000 0.420 207 G N 4.185 112.933 108.800 -0.086 0.000 2.665 207 G HA2 -0.371 3.588 3.960 -0.000 0.000 0.326 207 G HA3 -0.371 3.588 3.960 -0.000 0.000 0.326 207 G C 0.529 175.404 174.900 -0.042 0.000 1.231 207 G CA 0.740 45.810 45.100 -0.050 0.000 0.992 207 G HN 0.662 nan 8.290 nan 0.000 0.549 208 Q N 1.446 121.226 119.800 -0.033 0.000 2.198 208 Q HA 0.391 4.731 4.340 -0.000 0.000 0.209 208 Q C 1.321 177.304 176.000 -0.028 0.000 0.848 208 Q CA 0.245 56.032 55.803 -0.026 0.000 0.974 208 Q CB 0.868 29.596 28.738 -0.018 0.000 1.115 208 Q HN 0.730 nan 8.270 nan 0.000 0.494 209 G N 1.582 110.360 108.800 -0.038 0.000 2.621 209 G HA2 0.150 4.110 3.960 -0.000 0.000 0.271 209 G HA3 0.150 4.110 3.960 -0.000 0.000 0.271 209 G C -0.170 174.708 174.900 -0.037 0.000 1.236 209 G CA -0.536 44.543 45.100 -0.036 0.000 0.958 209 G HN 0.135 nan 8.290 nan 0.000 0.512 210 K N -0.625 119.756 120.400 -0.031 0.000 2.126 210 K HA 0.362 4.682 4.320 -0.000 0.000 0.257 210 K C 0.110 176.688 176.600 -0.036 0.000 1.007 210 K CA -0.706 55.564 56.287 -0.027 0.000 0.928 210 K CB 1.349 33.838 32.500 -0.018 0.000 1.013 210 K HN 0.443 nan 8.250 nan 0.000 0.473 211 R N 1.169 121.651 120.500 -0.030 0.000 2.491 211 R HA 0.020 4.360 4.340 -0.000 0.000 0.283 211 R C -0.669 175.617 176.300 -0.025 0.000 1.072 211 R CA 0.151 56.231 56.100 -0.034 0.000 1.048 211 R CB 0.668 30.954 30.300 -0.023 0.000 0.983 211 R HN 0.658 nan 8.270 nan 0.000 0.450 212 Q N 4.301 124.085 119.800 -0.027 0.000 2.375 212 Q HA 0.397 4.736 4.340 -0.000 0.000 0.271 212 Q C -2.440 173.564 176.000 0.007 0.000 1.074 212 Q CA -2.321 53.477 55.803 -0.009 0.000 0.808 212 Q CB 2.515 31.247 28.738 -0.010 0.000 1.327 212 Q HN 0.514 nan 8.270 nan 0.000 0.441 213 P HA 0.023 nan 4.420 nan 0.000 0.271 213 P C -0.222 177.107 177.300 0.049 0.000 1.218 213 P CA -0.056 63.060 63.100 0.027 0.000 0.780 213 P CB 1.048 32.761 31.700 0.021 0.000 0.901 214 V N 2.246 122.200 119.914 0.066 0.000 2.854 214 V HA 0.176 4.296 4.120 -0.000 0.000 0.236 214 V C 0.681 176.831 176.094 0.092 0.000 1.157 214 V CA 0.598 62.961 62.300 0.105 0.000 1.187 214 V CB 0.585 32.496 31.823 0.148 0.000 0.949 214 V HN 0.384 nan 8.190 nan 0.000 0.488 215 V N -1.280 118.675 119.914 0.067 0.000 3.204 215 V HA 0.677 4.796 4.120 -0.000 0.000 0.298 215 V C -2.388 173.715 176.094 0.014 0.000 1.328 215 V CA -0.466 61.854 62.300 0.033 0.000 1.035 215 V CB 2.066 33.926 31.823 0.062 0.000 1.095 215 V HN 0.329 nan 8.190 nan 0.000 0.442 216 C N 4.194 123.485 119.300 -0.015 0.000 2.924 216 C HA 0.697 5.156 4.460 -0.000 0.000 0.400 216 C C -0.089 174.883 174.990 -0.031 0.000 1.032 216 C CA 0.296 59.306 59.018 -0.013 0.000 1.236 216 C CB 0.383 28.119 27.740 -0.006 0.000 1.660 216 C HN 1.320 nan 8.230 nan 0.000 0.510 217 T N 1.749 116.287 114.554 -0.027 0.000 2.881 217 T HA 0.615 4.965 4.350 -0.000 0.000 0.278 217 T C 0.971 175.658 174.700 -0.023 0.000 0.982 217 T CA 0.287 62.365 62.100 -0.035 0.000 0.989 217 T CB 1.679 70.528 68.868 -0.033 0.000 1.058 217 T HN 1.240 nan 8.240 nan 0.000 0.529 218 G N -1.536 107.250 108.800 -0.024 0.000 3.502 218 G HA2 0.470 4.429 3.960 -0.000 0.000 0.267 218 G HA3 0.470 4.429 3.960 -0.000 0.000 0.267 218 G C 1.086 175.978 174.900 -0.012 0.000 1.090 218 G CA -0.130 44.960 45.100 -0.017 0.000 0.795 218 G HN 1.756 nan 8.290 nan 0.000 0.535 219 G N -0.001 108.792 108.800 -0.011 0.000 2.153 219 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.252 219 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.252 219 G C 0.609 175.504 174.900 -0.008 0.000 0.994 219 G CA 0.590 45.686 45.100 -0.007 0.000 0.698 219 G HN 1.152 nan 8.290 nan 0.000 0.521 220 S N 0.707 116.400 115.700 -0.012 0.000 2.572 220 S HA 0.460 4.930 4.470 -0.000 0.000 0.279 220 S C 0.034 174.630 174.600 -0.008 0.000 1.341 220 S CA -0.220 57.973 58.200 -0.011 0.000 1.043 220 S CB 1.233 64.423 63.200 -0.017 0.000 0.887 220 S HN 0.200 nan 8.310 nan 0.000 0.516 221 P HA 0.070 nan 4.420 nan 0.000 0.245 221 P C 0.123 177.426 177.300 0.006 0.000 1.206 221 P CA 0.144 63.243 63.100 -0.000 0.000 0.781 221 P CB 0.071 31.772 31.700 0.002 0.000 0.994 222 S N -0.066 115.639 115.700 0.008 0.000 2.457 222 S HA 0.308 4.778 4.470 -0.000 0.000 0.289 222 S C 1.254 175.867 174.600 0.021 0.000 1.163 222 S CA -0.714 57.501 58.200 0.025 0.000 1.078 222 S CB 0.071 63.284 63.200 0.022 0.000 0.987 222 S HN -0.138 nan 8.310 nan 0.000 0.482 223 I N 4.575 125.182 120.570 0.061 0.000 2.361 223 I HA -0.119 4.050 4.170 -0.000 0.000 0.251 223 I C 2.504 178.631 176.117 0.016 0.000 1.133 223 I CA 0.980 62.317 61.300 0.062 0.000 1.413 223 I CB -0.138 37.948 38.000 0.143 0.000 1.073 223 I HN 0.701 nan 8.210 nan 0.000 0.424 224 K N 1.097 121.488 120.400 -0.015 0.000 2.057 224 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 224 K C 1.946 178.435 176.600 -0.186 0.000 1.050 224 K CA 1.296 57.403 56.287 -0.301 0.000 0.935 224 K CB 0.069 32.379 32.500 -0.316 0.000 0.715 224 K HN 0.306 nan 8.250 nan 0.000 0.439 225 E N 0.304 120.450 120.200 -0.091 0.000 2.077 225 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 225 E C 1.783 178.338 176.600 -0.076 0.000 0.989 225 E CA 0.888 57.243 56.400 -0.075 0.000 0.800 225 E CB -0.068 29.607 29.700 -0.043 0.000 0.746 225 E HN 0.347 nan 8.360 nan 0.000 0.452 226 N N 1.031 119.692 118.700 -0.065 0.000 2.166 226 N HA -0.122 4.618 4.740 -0.000 0.000 0.186 226 N C 1.938 177.396 175.510 -0.087 0.000 1.019 226 N CA 0.842 53.850 53.050 -0.070 0.000 0.856 226 N CB -0.207 38.246 38.487 -0.056 0.000 0.993 226 N HN 0.210 nan 8.380 nan 0.000 0.426 227 I N 0.559 121.089 120.570 -0.067 0.000 2.226 227 I HA -0.169 4.000 4.170 -0.000 0.000 0.245 227 I C 2.383 178.490 176.117 -0.018 0.000 1.100 227 I CA 1.200 62.505 61.300 0.008 0.000 1.374 227 I CB -0.591 37.403 38.000 -0.010 0.000 1.057 227 I HN 0.145 nan 8.210 nan 0.000 0.413 228 G N -0.032 108.716 108.800 -0.086 0.000 2.418 228 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 228 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 228 G C 1.755 176.610 174.900 -0.075 0.000 1.158 228 G CA 0.889 45.943 45.100 -0.077 0.000 0.771 228 G HN 0.345 nan 8.290 nan 0.000 0.545 229 S N -0.091 115.553 115.700 -0.093 0.000 2.370 229 S HA -0.119 4.351 4.470 -0.000 0.000 0.226 229 S C 2.486 176.986 174.600 -0.167 0.000 1.033 229 S CA 1.287 59.425 58.200 -0.102 0.000 1.011 229 S CB -0.208 62.937 63.200 -0.091 0.000 0.852 229 S HN 0.200 nan 8.310 nan 0.000 0.457 230 V N 0.009 119.759 119.914 -0.273 0.000 2.302 230 V HA -0.005 4.115 4.120 -0.000 0.000 0.243 230 V C 1.414 177.105 176.094 -0.671 0.000 1.036 230 V CA 1.522 63.470 62.300 -0.586 0.000 1.020 230 V CB -0.543 30.715 31.823 -0.942 0.000 0.657 230 V HN 0.451 nan 8.190 nan 0.000 0.453 231 F N 0.138 120.025 119.950 -0.105 0.000 2.678 231 F HA 0.614 5.141 4.527 -0.000 0.000 0.305 231 F C 1.125 176.893 175.800 -0.053 0.000 1.090 231 F CA 0.239 58.206 58.000 -0.055 0.000 1.272 231 F CB 0.079 39.082 39.000 0.006 0.000 1.060 231 F HN 0.256 nan 8.300 nan 0.000 0.576 232 G N 0.651 109.482 108.800 0.051 0.000 2.692 232 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.686 232 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.686 232 G C -0.131 174.762 174.900 -0.013 0.000 1.243 232 G CA -0.838 44.272 45.100 0.017 0.000 0.782 232 G HN 0.087 nan 8.290 nan 0.000 0.625 233 Q N -0.395 119.387 119.800 -0.031 0.000 2.515 233 Q HA 0.130 4.470 4.340 -0.000 0.000 0.212 233 Q C 2.267 178.233 176.000 -0.056 0.000 0.970 233 Q CA 1.447 57.218 55.803 -0.053 0.000 0.941 233 Q CB 0.133 28.844 28.738 -0.046 0.000 0.998 233 Q HN 0.550 nan 8.270 nan 0.000 0.518 234 K N -0.255 120.121 120.400 -0.040 0.000 2.166 234 K HA -0.103 4.217 4.320 -0.000 0.000 0.201 234 K C 1.785 178.339 176.600 -0.077 0.000 1.052 234 K CA 0.903 57.165 56.287 -0.041 0.000 0.969 234 K CB 0.074 32.565 32.500 -0.016 0.000 0.761 234 K HN 0.028 nan 8.250 nan 0.000 0.459 235 Q N 0.626 120.370 119.800 -0.094 0.000 2.181 235 Q HA -0.038 4.302 4.340 -0.000 0.000 0.205 235 Q C 1.615 177.435 176.000 -0.299 0.000 0.980 235 Q CA 1.630 57.313 55.803 -0.199 0.000 0.862 235 Q CB -0.237 28.382 28.738 -0.199 0.000 0.905 235 Q HN 0.462 nan 8.270 nan 0.000 0.429 236 L N -0.043 121.037 121.223 -0.238 0.000 2.217 236 L HA -0.098 4.242 4.340 -0.000 0.000 0.211 236 L C 2.562 179.330 176.870 -0.169 0.000 1.107 236 L CA 1.066 55.753 54.840 -0.255 0.000 0.783 236 L CB -0.543 41.386 42.059 -0.217 0.000 0.919 236 L HN 0.396 nan 8.230 nan 0.000 0.442 237 Q N 0.536 120.264 119.800 -0.119 0.000 2.226 237 Q HA -0.183 4.157 4.340 -0.000 0.000 0.204 237 Q C 1.800 177.764 176.000 -0.060 0.000 0.975 237 Q CA 1.804 57.563 55.803 -0.072 0.000 0.866 237 Q CB 0.127 28.835 28.738 -0.050 0.000 0.915 237 Q HN 0.547 nan 8.270 nan 0.000 0.440 238 S N -0.875 114.775 115.700 -0.083 0.000 2.582 238 S HA 0.321 4.791 4.470 -0.000 0.000 0.234 238 S C 0.317 174.888 174.600 -0.048 0.000 0.961 238 S CA -0.527 57.642 58.200 -0.052 0.000 0.953 238 S CB 0.035 63.208 63.200 -0.044 0.000 0.800 238 S HN 0.150 nan 8.310 nan 0.000 0.471 239 L N 2.112 123.295 121.223 -0.066 0.000 2.330 239 L HA 0.717 5.057 4.340 -0.000 0.000 0.271 239 L C -0.288 176.640 176.870 0.097 0.000 1.013 239 L CA -1.328 53.509 54.840 -0.005 0.000 0.816 239 L CB 1.816 43.814 42.059 -0.101 0.000 1.287 239 L HN 0.317 nan 8.230 nan 0.000 0.435 240 I N -0.301 120.356 120.570 0.146 0.000 2.608 240 I HA 0.616 4.786 4.170 -0.000 0.000 0.295 240 I C -2.663 173.506 176.117 0.087 0.000 1.049 240 I CA -2.368 59.002 61.300 0.118 0.000 1.063 240 I CB 2.299 40.322 38.000 0.038 0.000 1.248 240 I HN 0.288 nan 8.210 nan 0.000 0.424 241 P HA 0.177 nan 4.420 nan 0.000 0.274 241 P C -0.822 176.337 177.300 -0.234 0.000 1.231 241 P CA 0.069 62.978 63.100 -0.320 0.000 0.790 241 P CB 0.621 32.155 31.700 -0.276 0.000 0.951 242 F N 1.048 120.825 119.950 -0.288 0.000 2.506 242 F HA 0.124 4.651 4.527 -0.000 0.000 0.351 242 F C 0.761 176.469 175.800 -0.155 0.000 1.136 242 F CA 0.719 58.609 58.000 -0.183 0.000 1.298 242 F CB 0.630 39.537 39.000 -0.156 0.000 1.145 242 F HN -0.012 nan 8.300 nan 0.000 0.593 243 V N 4.226 124.180 119.914 0.066 0.000 2.419 243 V HA 0.195 4.314 4.120 -0.000 0.000 0.287 243 V C -0.317 175.796 176.094 0.032 0.000 1.017 243 V CA -0.934 61.376 62.300 0.017 0.000 0.844 243 V CB 1.265 33.068 31.823 -0.034 0.000 1.011 243 V HN 0.676 nan 8.190 nan 0.000 0.429 244 Q N 4.292 124.109 119.800 0.029 0.000 2.313 244 Q HA 0.586 4.926 4.340 -0.000 0.000 0.266 244 Q C -1.284 174.703 176.000 -0.022 0.000 0.989 244 Q CA 0.009 55.812 55.803 -0.000 0.000 0.890 244 Q CB 0.960 29.682 28.738 -0.026 0.000 1.200 244 Q HN 0.671 nan 8.270 nan 0.000 0.396 245 L N 5.059 126.263 121.223 -0.031 0.000 2.333 245 L HA 0.608 4.947 4.340 -0.000 0.000 0.263 245 L C -2.222 174.621 176.870 -0.045 0.000 1.014 245 L CA -2.595 52.225 54.840 -0.034 0.000 0.820 245 L CB 2.004 44.047 42.059 -0.028 0.000 1.352 245 L HN 0.616 nan 8.230 nan 0.000 0.421 246 P HA 0.135 nan 4.420 nan 0.000 0.272 246 P C -2.550 174.724 177.300 -0.042 0.000 1.223 246 P CA -0.995 62.075 63.100 -0.050 0.000 0.784 246 P CB -0.101 31.574 31.700 -0.042 0.000 0.923 247 P HA 0.019 nan 4.420 nan 0.000 0.271 247 P C -0.215 177.074 177.300 -0.018 0.000 1.220 247 P CA 0.047 63.125 63.100 -0.038 0.000 0.768 247 P CB 0.468 32.136 31.700 -0.053 0.000 0.848 248 S N 2.162 117.862 115.700 -0.001 0.000 2.600 248 S HA 0.067 4.536 4.470 -0.000 0.000 0.265 248 S C 0.965 175.576 174.600 0.017 0.000 1.325 248 S CA -0.294 57.912 58.200 0.009 0.000 1.002 248 S CB 0.387 63.599 63.200 0.019 0.000 0.921 248 S HN 0.378 nan 8.310 nan 0.000 0.554 249 D N 1.586 121.995 120.400 0.015 0.000 2.097 249 D HA -0.129 4.511 4.640 -0.000 0.000 0.195 249 D C 2.392 178.710 176.300 0.030 0.000 0.989 249 D CA 2.000 56.011 54.000 0.018 0.000 0.827 249 D CB -0.793 40.015 40.800 0.013 0.000 0.966 249 D HN 0.753 nan 8.370 nan 0.000 0.456 250 S N 0.626 116.345 115.700 0.031 0.000 2.359 250 S HA -0.133 4.337 4.470 -0.000 0.000 0.224 250 S C 2.339 176.974 174.600 0.058 0.000 1.035 250 S CA 1.142 59.363 58.200 0.036 0.000 1.018 250 S CB -0.842 62.376 63.200 0.030 0.000 0.876 250 S HN 0.095 nan 8.310 nan 0.000 0.448 251 V N 1.221 121.181 119.914 0.076 0.000 2.407 251 V HA -0.185 3.935 4.120 -0.000 0.000 0.248 251 V C 2.890 179.100 176.094 0.193 0.000 1.055 251 V CA 1.607 63.990 62.300 0.139 0.000 1.049 251 V CB -1.165 30.730 31.823 0.121 0.000 0.662 251 V HN 0.684 nan 8.190 nan 0.000 0.455 252 C N -0.032 119.336 119.300 0.113 0.000 2.432 252 C HA -0.151 4.308 4.460 -0.000 0.000 0.277 252 C C 2.702 177.764 174.990 0.119 0.000 1.249 252 C CA 1.116 60.198 59.018 0.107 0.000 1.725 252 C CB -0.954 26.814 27.740 0.047 0.000 2.028 252 C HN 0.622 nan 8.230 nan 0.000 0.477 253 E N 0.398 120.644 120.200 0.077 0.000 2.153 253 E HA -0.210 4.139 4.350 -0.000 0.000 0.194 253 E C 1.993 178.618 176.600 0.042 0.000 0.988 253 E CA 1.003 57.434 56.400 0.051 0.000 0.811 253 E CB -0.230 29.488 29.700 0.030 0.000 0.746 253 E HN 0.681 nan 8.360 nan 0.000 0.466 254 E N -0.037 120.191 120.200 0.047 0.000 2.118 254 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 254 E C 1.018 177.529 176.600 -0.148 0.000 0.992 254 E CA 1.019 57.386 56.400 -0.055 0.000 0.804 254 E CB -0.027 29.633 29.700 -0.067 0.000 0.741 254 E HN 0.365 nan 8.360 nan 0.000 0.458 255 Y N -0.523 119.779 120.300 0.004 0.000 2.493 255 Y HA 0.234 4.784 4.550 -0.000 0.000 0.275 255 Y C 1.231 177.137 175.900 0.009 0.000 1.183 255 Y CA 0.303 58.406 58.100 0.005 0.000 1.258 255 Y CB 0.963 39.425 38.460 0.002 0.000 1.108 255 Y HN 0.059 nan 8.280 nan 0.000 0.521 256 G N 1.037 109.903 108.800 0.109 0.000 2.221 256 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.265 256 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.265 256 G C -0.296 174.656 174.900 0.087 0.000 1.041 256 G CA 0.109 45.254 45.100 0.076 0.000 0.807 256 G HN 0.303 nan 8.290 nan 0.000 0.502 257 L N 0.395 121.677 121.223 0.098 0.000 2.330 257 L HA 0.729 5.069 4.340 -0.000 0.000 0.271 257 L C 1.037 177.938 176.870 0.052 0.000 1.013 257 L CA -0.596 54.291 54.840 0.078 0.000 0.816 257 L CB 1.962 44.066 42.059 0.075 0.000 1.287 257 L HN 0.361 nan 8.230 nan 0.000 0.435 258 S N -1.152 114.572 115.700 0.039 0.000 2.646 258 S HA 0.137 4.607 4.470 -0.000 0.000 0.276 258 S C 1.013 175.615 174.600 0.005 0.000 1.222 258 S CA -0.836 57.378 58.200 0.024 0.000 1.014 258 S CB 1.278 64.493 63.200 0.025 0.000 0.991 258 S HN 0.792 nan 8.310 nan 0.000 0.533 259 C N 0.633 119.933 119.300 0.001 0.000 2.443 259 C HA 0.091 4.551 4.460 -0.000 0.000 0.290 259 C C 2.261 177.234 174.990 -0.029 0.000 1.476 259 C CA 0.119 59.131 59.018 -0.011 0.000 1.772 259 C CB -2.388 25.349 27.740 -0.005 0.000 1.714 259 C HN 0.925 nan 8.230 nan 0.000 0.562 260 S N -0.469 115.214 115.700 -0.028 0.000 2.524 260 S HA 0.029 4.499 4.470 -0.000 0.000 0.215 260 S C 1.115 175.658 174.600 -0.094 0.000 0.986 260 S CA 0.289 58.464 58.200 -0.042 0.000 0.911 260 S CB -0.479 62.713 63.200 -0.013 0.000 0.805 260 S HN 0.537 nan 8.310 nan 0.000 0.501 261 D N 2.664 122.994 120.400 -0.117 0.000 2.178 261 D HA 0.002 4.642 4.640 -0.000 0.000 0.201 261 D C 2.029 177.996 176.300 -0.555 0.000 0.980 261 D CA 1.246 55.075 54.000 -0.286 0.000 0.842 261 D CB -0.236 40.496 40.800 -0.113 0.000 0.948 261 D HN 0.602 nan 8.370 nan 0.000 0.472 262 A N 0.624 123.277 122.820 -0.280 0.000 2.131 262 A HA -0.144 4.175 4.320 -0.000 0.000 0.220 262 A C 2.090 179.533 177.584 -0.235 0.000 1.158 262 A CA 0.616 52.514 52.037 -0.231 0.000 0.665 262 A CB -0.454 18.471 19.000 -0.126 0.000 0.795 262 A HN 0.136 nan 8.150 nan 0.000 0.460 263 L N -0.304 120.780 121.223 -0.232 0.000 2.191 263 L HA -0.149 4.190 4.340 -0.000 0.000 0.212 263 L C 1.763 178.586 176.870 -0.079 0.000 1.103 263 L CA 2.034 56.801 54.840 -0.122 0.000 0.769 263 L CB -0.567 41.457 42.059 -0.059 0.000 0.908 263 L HN 0.821 nan 8.230 nan 0.000 0.438 264 H N -3.791 115.264 119.070 -0.025 0.000 2.469 264 H HA 0.265 4.821 4.556 -0.000 0.000 0.286 264 H C 0.341 175.629 175.328 -0.068 0.000 1.106 264 H CA -0.790 55.234 56.048 -0.040 0.000 1.055 264 H CB -1.163 28.579 29.762 -0.034 0.000 1.618 264 H HN 0.199 nan 8.280 nan 0.000 0.559 265 N N 1.457 120.106 118.700 -0.085 0.000 2.438 265 N HA 0.029 4.768 4.740 -0.000 0.000 0.267 265 N C 0.121 175.562 175.510 -0.114 0.000 1.222 265 N CA -0.123 52.883 53.050 -0.073 0.000 0.930 265 N CB 0.621 39.047 38.487 -0.102 0.000 1.083 265 N HN 0.461 nan 8.380 nan 0.000 0.476 266 L N 3.564 124.649 121.223 -0.230 0.000 2.766 266 L HA 0.295 4.635 4.340 -0.000 0.000 0.242 266 L C -0.505 176.218 176.870 -0.245 0.000 1.136 266 L CA -0.355 54.354 54.840 -0.219 0.000 0.933 266 L CB 0.053 41.954 42.059 -0.263 0.000 1.241 266 L HN 0.461 nan 8.230 nan 0.000 0.522 267 F N -0.087 119.823 119.950 -0.066 0.000 2.420 267 F HA 0.319 4.846 4.527 -0.000 0.000 0.352 267 F C -0.192 175.482 175.800 -0.210 0.000 1.108 267 F CA -0.333 57.630 58.000 -0.061 0.000 1.162 267 F CB 0.306 39.257 39.000 -0.081 0.000 1.118 267 F HN -0.158 nan 8.300 nan 0.000 0.510 268 Y N 4.262 124.649 120.300 0.146 0.000 2.338 268 Y HA 0.484 5.034 4.550 -0.000 0.000 0.328 268 Y C 0.087 175.994 175.900 0.012 0.000 0.965 268 Y CA -1.211 56.920 58.100 0.052 0.000 1.208 268 Y CB 1.232 39.703 38.460 0.018 0.000 1.132 268 Y HN 0.413 nan 8.280 nan 0.000 0.469 269 I N 1.042 121.640 120.570 0.046 0.000 2.460 269 I HA 0.934 5.104 4.170 -0.000 0.000 0.298 269 I C -0.357 175.686 176.117 -0.124 0.000 0.989 269 I CA -0.506 60.733 61.300 -0.101 0.000 1.173 269 I CB 1.908 39.758 38.000 -0.249 0.000 1.338 269 I HN 0.493 nan 8.210 nan 0.000 0.456 270 S N 2.989 118.573 115.700 -0.193 0.000 2.625 270 S HA 1.031 5.501 4.470 -0.000 0.000 0.271 270 S C -0.265 174.250 174.600 -0.143 0.000 1.161 270 S CA -0.197 57.926 58.200 -0.128 0.000 0.820 270 S CB 1.535 64.700 63.200 -0.059 0.000 1.137 270 S HN 1.817 nan 8.310 nan 0.000 0.470 271 G N -0.049 108.707 108.800 -0.073 0.000 2.270 271 G HA2 0.338 4.297 3.960 -0.000 0.000 0.268 271 G HA3 0.338 4.297 3.960 -0.000 0.000 0.268 271 G C -1.969 172.850 174.900 -0.134 0.000 1.312 271 G CA -0.646 44.483 45.100 0.049 0.000 1.050 271 G HN 1.000 nan 8.290 nan 0.000 0.474 272 F N -0.394 119.806 119.950 0.417 0.000 2.613 272 F HA 0.894 5.421 4.527 -0.000 0.000 0.314 272 F C 0.179 176.114 175.800 0.225 0.000 1.075 272 F CA -0.767 57.382 58.000 0.249 0.000 0.945 272 F CB 2.425 41.541 39.000 0.192 0.000 1.310 272 F HN 0.608 nan 8.300 nan 0.000 0.467 273 I N 0.011 120.705 120.570 0.206 0.000 2.918 273 I HA 0.387 4.557 4.170 -0.000 0.000 0.301 273 I C -0.931 175.265 176.117 0.132 0.000 1.312 273 I CA -0.402 60.971 61.300 0.122 0.000 1.007 273 I CB 2.190 40.072 38.000 -0.198 0.000 1.281 273 I HN 0.517 nan 8.210 nan 0.000 0.440 274 S N 4.388 120.159 115.700 0.120 0.000 2.560 274 S HA 0.163 4.633 4.470 -0.000 0.000 0.284 274 S C -0.250 174.467 174.600 0.195 0.000 1.327 274 S CA -0.425 57.828 58.200 0.089 0.000 1.055 274 S CB 0.689 63.887 63.200 -0.003 0.000 0.868 274 S HN 0.486 nan 8.310 nan 0.000 0.506 275 Q N 0.348 120.230 119.800 0.138 0.000 2.454 275 Q HA 0.060 4.400 4.340 -0.000 0.000 0.247 275 Q C 1.195 177.208 176.000 0.021 0.000 1.028 275 Q CA -0.226 55.638 55.803 0.101 0.000 0.910 275 Q CB 0.254 29.013 28.738 0.036 0.000 1.276 275 Q HN 0.983 nan 8.270 nan 0.000 0.489 276 C N -1.928 117.175 119.300 -0.329 0.000 2.626 276 C HA 0.127 4.587 4.460 -0.000 0.000 0.266 276 C C 0.866 175.603 174.990 -0.422 0.000 1.317 276 C CA -0.770 57.847 59.018 -0.668 0.000 1.716 276 C CB -1.171 25.845 27.740 -1.207 0.000 1.819 276 C HN 0.588 nan 8.230 nan 0.000 0.578 277 T N 2.470 116.881 114.554 -0.239 0.000 2.923 277 T HA -0.016 4.334 4.350 -0.000 0.000 0.304 277 T C 0.325 174.933 174.700 -0.154 0.000 1.044 277 T CA 0.770 62.750 62.100 -0.199 0.000 1.141 277 T CB -0.082 68.746 68.868 -0.067 0.000 1.023 277 T HN 0.550 nan 8.240 nan 0.000 0.533 278 H N 1.662 120.706 119.070 -0.044 0.000 3.195 278 H HA 0.044 4.600 4.556 -0.000 0.000 0.302 278 H C 1.693 177.029 175.328 0.013 0.000 0.950 278 H CA 1.428 57.462 56.048 -0.023 0.000 1.398 278 H CB -0.234 29.519 29.762 -0.015 0.000 1.377 278 H HN 1.087 nan 8.280 nan 0.000 0.572 279 G N 2.471 111.363 108.800 0.152 0.000 2.189 279 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.267 279 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.267 279 G C 1.208 176.170 174.900 0.103 0.000 0.975 279 G CA 0.490 45.664 45.100 0.124 0.000 0.644 279 G HN 0.522 nan 8.290 nan 0.000 0.537 280 V N 0.942 120.913 119.914 0.094 0.000 3.129 280 V HA 0.301 4.421 4.120 -0.000 0.000 0.259 280 V C 2.324 178.482 176.094 0.108 0.000 1.116 280 V CA 1.478 63.827 62.300 0.081 0.000 1.127 280 V CB -0.370 31.488 31.823 0.058 0.000 0.742 280 V HN 0.758 nan 8.190 nan 0.000 0.474 281 G N 0.126 109.030 108.800 0.174 0.000 2.525 281 G HA2 0.302 4.262 3.960 -0.000 0.000 0.276 281 G HA3 0.302 4.262 3.960 -0.000 0.000 0.276 281 G C 0.008 174.990 174.900 0.137 0.000 1.388 281 G CA -0.476 44.733 45.100 0.182 0.000 1.050 281 G HN 0.185 nan 8.290 nan 0.000 0.520 282 R N -1.195 119.388 120.500 0.138 0.000 2.782 282 R HA 0.381 4.721 4.340 -0.000 0.000 0.258 282 R C 1.213 177.615 176.300 0.170 0.000 1.055 282 R CA -0.122 56.044 56.100 0.111 0.000 1.065 282 R CB 1.277 31.610 30.300 0.055 0.000 1.172 282 R HN 0.589 nan 8.270 nan 0.000 0.510 283 S N -1.630 114.120 115.700 0.083 0.000 2.524 283 S HA 0.066 4.536 4.470 -0.000 0.000 0.216 283 S C 0.802 175.302 174.600 -0.166 0.000 0.987 283 S CA -0.012 58.230 58.200 0.070 0.000 0.909 283 S CB 0.280 63.505 63.200 0.043 0.000 0.781 283 S HN 0.490 nan 8.310 nan 0.000 0.521 284 S N 0.655 116.195 115.700 -0.266 0.000 2.720 284 S HA 0.519 4.989 4.470 -0.000 0.000 0.287 284 S C -0.093 174.276 174.600 -0.386 0.000 1.168 284 S CA -0.023 57.859 58.200 -0.531 0.000 0.832 284 S CB 1.245 64.276 63.200 -0.281 0.000 1.166 284 S HN 0.398 nan 8.310 nan 0.000 0.493 285 T N 0.315 114.662 114.554 -0.345 0.000 3.332 285 T HA 0.193 4.542 4.350 -0.000 0.000 0.246 285 T C 0.624 175.220 174.700 -0.172 0.000 0.943 285 T CA 0.044 62.058 62.100 -0.143 0.000 0.922 285 T CB -0.706 68.142 68.868 -0.032 0.000 1.086 285 T HN 0.627 nan 8.240 nan 0.000 0.590 286 D N 1.470 121.771 120.400 -0.165 0.000 2.312 286 D HA -0.117 4.523 4.640 -0.000 0.000 0.211 286 D C 0.968 177.150 176.300 -0.196 0.000 0.964 286 D CA 0.287 54.204 54.000 -0.139 0.000 0.877 286 D CB 0.006 40.767 40.800 -0.065 0.000 0.924 286 D HN 0.442 nan 8.370 nan 0.000 0.515 287 R N 0.345 120.674 120.500 -0.285 0.000 2.738 287 R HA 0.274 4.613 4.340 -0.000 0.000 0.280 287 R C -0.508 175.385 176.300 -0.678 0.000 1.456 287 R CA -0.234 55.609 56.100 -0.429 0.000 1.612 287 R CB 0.873 30.952 30.300 -0.368 0.000 1.286 287 R HN 0.111 nan 8.270 nan 0.000 0.660 288 Q N 1.372 120.678 119.800 -0.823 0.000 2.339 288 Q HA 0.358 4.698 4.340 -0.000 0.000 0.268 288 Q C -1.202 174.224 176.000 -0.958 0.000 1.027 288 Q CA -0.461 54.919 55.803 -0.705 0.000 0.759 288 Q CB 1.833 30.395 28.738 -0.293 0.000 1.244 288 Q HN 0.143 nan 8.270 nan 0.000 0.464 289 F N 2.382 121.975 119.950 -0.595 0.000 2.449 289 F HA 0.522 5.049 4.527 -0.000 0.000 0.342 289 F C -0.482 174.857 175.800 -0.769 0.000 1.127 289 F CA -0.729 56.954 58.000 -0.529 0.000 0.975 289 F CB 0.913 39.772 39.000 -0.235 0.000 1.146 289 F HN 0.362 nan 8.300 nan 0.000 0.444 290 F N 2.912 122.639 119.950 -0.371 0.000 2.508 290 F HA 0.727 5.254 4.527 -0.000 0.000 0.325 290 F C -0.765 174.701 175.800 -0.556 0.000 1.090 290 F CA -1.163 56.681 58.000 -0.260 0.000 0.945 290 F CB 1.562 40.465 39.000 -0.161 0.000 1.156 290 F HN 0.160 nan 8.300 nan 0.000 0.463 291 F N 2.434 122.475 119.950 0.152 0.000 2.578 291 F HA 0.616 5.143 4.527 -0.000 0.000 0.311 291 F C -0.597 175.243 175.800 0.066 0.000 1.094 291 F CA -1.014 57.030 58.000 0.075 0.000 0.923 291 F CB 1.791 40.809 39.000 0.029 0.000 1.230 291 F HN 0.159 nan 8.300 nan 0.000 0.450 292 I N 3.059 123.764 120.570 0.226 0.000 2.411 292 I HA 0.267 4.436 4.170 -0.000 0.000 0.284 292 I C -0.515 175.691 176.117 0.149 0.000 1.012 292 I CA -0.663 60.732 61.300 0.157 0.000 1.119 292 I CB 1.159 39.224 38.000 0.107 0.000 1.261 292 I HN 0.628 nan 8.210 nan 0.000 0.448 293 N N 6.910 125.689 118.700 0.131 0.000 2.725 293 N HA -0.213 4.527 4.740 -0.000 0.000 0.251 293 N C 0.503 176.071 175.510 0.097 0.000 1.031 293 N CA 0.552 53.659 53.050 0.095 0.000 0.720 293 N CB -0.547 37.987 38.487 0.079 0.000 0.930 293 N HN 0.704 nan 8.380 nan 0.000 0.543 294 R N -3.248 117.319 120.500 0.111 0.000 3.922 294 R HA -0.210 4.130 4.340 -0.000 0.000 0.447 294 R C -0.192 176.234 176.300 0.210 0.000 1.035 294 R CA 1.246 57.392 56.100 0.077 0.000 1.289 294 R CB -1.309 29.006 30.300 0.025 0.000 1.906 294 R HN 0.512 nan 8.270 nan 0.000 0.540 295 R N 1.461 122.103 120.500 0.237 0.000 2.265 295 R HA 0.330 4.670 4.340 -0.000 0.000 0.319 295 R C -2.359 174.042 176.300 0.168 0.000 1.006 295 R CA -1.891 54.331 56.100 0.203 0.000 0.880 295 R CB 1.016 31.402 30.300 0.144 0.000 1.077 295 R HN -0.163 nan 8.270 nan 0.000 0.454 296 P HA -0.045 nan 4.420 nan 0.000 0.265 296 P C -0.500 176.712 177.300 -0.146 0.000 1.193 296 P CA -0.156 62.781 63.100 -0.271 0.000 0.765 296 P CB 0.497 31.959 31.700 -0.395 0.000 0.823 297 C N 0.656 119.856 119.300 -0.165 0.000 3.259 297 C HA 0.645 5.105 4.460 -0.000 0.000 0.344 297 C C -1.418 173.525 174.990 -0.079 0.000 1.401 297 C CA -0.758 58.212 59.018 -0.079 0.000 1.219 297 C CB 1.300 29.022 27.740 -0.031 0.000 1.521 297 C HN 0.468 nan 8.230 nan 0.000 0.455 298 D N 1.815 122.166 120.400 -0.081 0.000 2.434 298 D HA 0.488 5.127 4.640 -0.000 0.000 0.275 298 D C -2.205 173.986 176.300 -0.182 0.000 1.172 298 D CA -0.852 53.072 54.000 -0.126 0.000 0.916 298 D CB 0.822 41.561 40.800 -0.102 0.000 1.041 298 D HN 0.621 nan 8.370 nan 0.000 0.501 299 P HA 0.173 nan 4.420 nan 0.000 0.271 299 P C 0.792 177.907 177.300 -0.308 0.000 1.380 299 P CA -0.253 62.703 63.100 -0.239 0.000 0.992 299 P CB 1.407 32.970 31.700 -0.228 0.000 1.230 300 A N 5.236 127.935 122.820 -0.201 0.000 1.884 300 A HA -0.256 4.064 4.320 -0.000 0.000 0.219 300 A C 2.229 179.715 177.584 -0.162 0.000 1.197 300 A CA 1.950 53.885 52.037 -0.170 0.000 0.637 300 A CB -0.884 18.056 19.000 -0.099 0.000 0.827 300 A HN 0.468 nan 8.150 nan 0.000 0.450 301 K N -0.835 119.489 120.400 -0.127 0.000 2.097 301 K HA -0.028 4.292 4.320 -0.000 0.000 0.205 301 K C 1.871 178.399 176.600 -0.119 0.000 1.050 301 K CA 1.217 57.451 56.287 -0.089 0.000 0.938 301 K CB -0.203 32.267 32.500 -0.050 0.000 0.718 301 K HN 0.279 nan 8.250 nan 0.000 0.442 302 V N 0.655 120.451 119.914 -0.197 0.000 2.343 302 V HA -0.322 3.798 4.120 -0.000 0.000 0.247 302 V C 2.452 178.379 176.094 -0.279 0.000 1.051 302 V CA 1.771 63.940 62.300 -0.219 0.000 1.036 302 V CB -0.377 31.288 31.823 -0.264 0.000 0.654 302 V HN 0.581 nan 8.190 nan 0.000 0.451 303 C N 0.228 119.207 119.300 -0.534 0.000 2.432 303 C HA -0.179 4.280 4.460 -0.000 0.000 0.277 303 C C 2.976 177.894 174.990 -0.120 0.000 1.249 303 C CA 1.682 60.378 59.018 -0.537 0.000 1.725 303 C CB -1.035 26.331 27.740 -0.623 0.000 2.028 303 C HN 0.572 nan 8.230 nan 0.000 0.477 304 R N -0.229 120.212 120.500 -0.098 0.000 2.083 304 R HA -0.169 4.171 4.340 -0.000 0.000 0.237 304 R C 2.159 178.480 176.300 0.036 0.000 1.137 304 R CA 2.090 58.185 56.100 -0.008 0.000 0.951 304 R CB -0.574 29.719 30.300 -0.012 0.000 0.851 304 R HN 0.595 nan 8.270 nan 0.000 0.434 305 L N 0.458 121.699 121.223 0.031 0.000 2.046 305 L HA -0.131 4.208 4.340 -0.000 0.000 0.208 305 L C 2.081 179.018 176.870 0.112 0.000 1.077 305 L CA 1.523 56.410 54.840 0.078 0.000 0.747 305 L CB -0.434 41.669 42.059 0.073 0.000 0.896 305 L HN -0.012 nan 8.230 nan 0.000 0.432 306 V N 0.492 120.482 119.914 0.127 0.000 2.287 306 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 306 V C 2.445 178.638 176.094 0.164 0.000 1.053 306 V CA 2.102 64.520 62.300 0.196 0.000 1.027 306 V CB -0.909 31.101 31.823 0.313 0.000 0.646 306 V HN 0.552 nan 8.190 nan 0.000 0.447 307 N N -0.048 118.709 118.700 0.095 0.000 2.142 307 N HA -0.150 4.589 4.740 -0.000 0.000 0.186 307 N C 1.840 177.293 175.510 -0.095 0.000 1.023 307 N CA 1.439 54.456 53.050 -0.055 0.000 0.852 307 N CB -0.201 38.269 38.487 -0.028 0.000 0.998 307 N HN 0.621 nan 8.380 nan 0.000 0.424 308 E N 0.513 120.760 120.200 0.078 0.000 2.110 308 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 308 E C 1.976 178.679 176.600 0.171 0.000 0.988 308 E CA 0.822 57.312 56.400 0.150 0.000 0.804 308 E CB 0.069 29.846 29.700 0.127 0.000 0.745 308 E HN 0.097 nan 8.360 nan 0.000 0.458 309 V N 0.520 120.552 119.914 0.197 0.000 2.453 309 V HA -0.229 3.891 4.120 -0.000 0.000 0.247 309 V C 1.958 178.296 176.094 0.406 0.000 1.048 309 V CA 1.467 63.942 62.300 0.292 0.000 1.049 309 V CB -0.512 31.471 31.823 0.267 0.000 0.672 309 V HN 0.281 nan 8.190 nan 0.000 0.457 310 Y N 0.427 120.837 120.300 0.183 0.000 2.181 310 Y HA -0.122 4.427 4.550 -0.000 0.000 0.288 310 Y C 1.874 177.754 175.900 -0.033 0.000 1.146 310 Y CA 0.918 59.045 58.100 0.046 0.000 1.164 310 Y CB -0.240 38.154 38.460 -0.111 0.000 0.982 310 Y HN 0.319 nan 8.280 nan 0.000 0.515 314 N N 1.660 120.113 118.700 -0.411 0.000 2.682 314 N HA 0.278 5.018 4.740 -0.000 0.000 0.252 314 N C 0.495 175.889 175.510 -0.193 0.000 1.081 314 N CA -0.071 52.742 53.050 -0.395 0.000 0.844 314 N CB 0.922 39.014 38.487 -0.658 0.000 1.167 314 N HN 0.217 nan 8.380 nan 0.000 0.523 315 R N 0.733 121.061 120.500 -0.287 0.000 2.154 315 R HA -0.162 4.178 4.340 -0.000 0.000 0.236 315 R C 0.186 176.279 176.300 -0.346 0.000 1.121 315 R CA 1.668 57.531 56.100 -0.395 0.000 0.915 315 R CB -0.353 29.526 30.300 -0.703 0.000 0.856 315 R HN 0.625 nan 8.270 nan 0.000 0.431 316 H N 0.626 119.718 119.070 0.037 0.000 2.432 316 H HA 0.424 4.979 4.556 -0.000 0.000 0.226 316 H C -0.471 174.979 175.328 0.203 0.000 1.634 316 H CA -0.166 55.925 56.048 0.071 0.000 1.253 316 H CB 0.132 29.932 29.762 0.062 0.000 1.584 316 H HN 0.267 nan 8.280 nan 0.000 0.545 317 Q N 1.318 121.322 119.800 0.340 0.000 2.468 317 Q HA 0.188 4.528 4.340 -0.000 0.000 0.263 317 Q C -1.612 174.686 176.000 0.497 0.000 0.979 317 Q CA -0.691 55.388 55.803 0.460 0.000 0.932 317 Q CB 2.341 31.298 28.738 0.364 0.000 1.462 317 Q HN 0.329 nan 8.270 nan 0.000 0.403 318 Y N 1.960 122.387 120.300 0.211 0.000 2.334 318 Y HA 0.450 5.000 4.550 -0.000 0.000 0.328 318 Y C -1.999 173.773 175.900 -0.212 0.000 1.130 318 Y CA -2.325 55.790 58.100 0.025 0.000 1.163 318 Y CB 0.471 38.953 38.460 0.036 0.000 1.207 318 Y HN 0.340 nan 8.280 nan 0.000 0.471 319 P HA 0.129 nan 4.420 nan 0.000 0.278 319 P C -0.919 176.276 177.300 -0.175 0.000 1.258 319 P CA -0.393 62.351 63.100 -0.593 0.000 0.811 319 P CB 1.153 32.173 31.700 -1.134 0.000 1.063 320 F N 1.936 121.755 119.950 -0.218 0.000 2.427 320 F HA 0.398 4.925 4.527 -0.000 0.000 0.352 320 F C -0.975 174.776 175.800 -0.081 0.000 1.100 320 F CA -0.029 57.892 58.000 -0.131 0.000 1.191 320 F CB 0.535 39.466 39.000 -0.115 0.000 1.128 320 F HN -0.001 nan 8.300 nan 0.000 0.533 321 V N 6.548 126.170 119.914 -0.487 0.000 2.686 321 V HA 0.505 4.625 4.120 -0.000 0.000 0.306 321 V C -1.096 174.844 176.094 -0.256 0.000 1.065 321 V CA -0.871 61.285 62.300 -0.240 0.000 0.894 321 V CB 1.749 33.388 31.823 -0.307 0.000 1.004 321 V HN 0.611 nan 8.190 nan 0.000 0.424 322 V N 5.891 125.876 119.914 0.117 0.000 2.445 322 V HA 0.498 4.617 4.120 -0.000 0.000 0.283 322 V C -1.010 175.247 176.094 0.272 0.000 1.014 322 V CA -0.290 62.167 62.300 0.263 0.000 0.852 322 V CB 1.585 33.672 31.823 0.440 0.000 1.021 322 V HN 0.670 nan 8.190 nan 0.000 0.435 323 L N 4.933 126.232 121.223 0.128 0.000 2.376 323 L HA 0.697 5.037 4.340 -0.000 0.000 0.275 323 L C -0.683 176.286 176.870 0.165 0.000 0.987 323 L CA -0.073 54.762 54.840 -0.008 0.000 0.828 323 L CB 1.927 43.903 42.059 -0.138 0.000 1.249 323 L HN 0.607 nan 8.230 nan 0.000 0.409 324 N N 4.736 123.467 118.700 0.051 0.000 2.400 324 N HA 0.557 5.297 4.740 -0.000 0.000 0.288 324 N C -1.377 174.154 175.510 0.035 0.000 1.024 324 N CA -0.348 52.770 53.050 0.113 0.000 0.894 324 N CB 1.219 39.704 38.487 -0.003 0.000 1.173 324 N HN 0.617 nan 8.380 nan 0.000 0.487 325 I N 1.998 122.626 120.570 0.096 0.000 2.328 325 I HA 0.211 4.381 4.170 -0.000 0.000 0.287 325 I C -0.046 176.161 176.117 0.150 0.000 1.012 325 I CA -0.593 60.763 61.300 0.094 0.000 1.195 325 I CB 1.354 39.401 38.000 0.078 0.000 1.350 325 I HN 0.425 nan 8.210 nan 0.000 0.464 326 S N 5.963 121.765 115.700 0.170 0.000 2.422 326 S HA 0.642 5.112 4.470 -0.000 0.000 0.308 326 S C -0.777 173.950 174.600 0.212 0.000 1.097 326 S CA -0.443 57.851 58.200 0.156 0.000 1.099 326 S CB 1.004 64.267 63.200 0.106 0.000 0.976 326 S HN 0.424 nan 8.310 nan 0.000 0.471 327 V N 5.043 125.043 119.914 0.143 0.000 3.012 327 V HA 0.395 4.515 4.120 -0.000 0.000 0.307 327 V C -0.685 175.413 176.094 0.008 0.000 1.166 327 V CA -1.002 61.335 62.300 0.062 0.000 0.974 327 V CB 2.026 33.876 31.823 0.044 0.000 1.040 327 V HN 0.993 nan 8.190 nan 0.000 0.428 328 D N 3.333 123.709 120.400 -0.040 0.000 2.515 328 D HA -0.045 4.595 4.640 -0.000 0.000 0.232 328 D C 1.493 177.778 176.300 -0.024 0.000 1.157 328 D CA 1.025 55.004 54.000 -0.035 0.000 0.871 328 D CB 1.737 42.507 40.800 -0.051 0.000 1.200 328 D HN 0.923 nan 8.370 nan 0.000 0.466 329 S N 3.322 119.016 115.700 -0.011 0.000 2.393 329 S HA -0.375 4.095 4.470 -0.000 0.000 0.235 329 S C 1.676 176.274 174.600 -0.004 0.000 1.061 329 S CA 2.135 60.335 58.200 -0.001 0.000 1.129 329 S CB -0.779 62.420 63.200 -0.002 0.000 1.011 329 S HN 0.794 nan 8.310 nan 0.000 0.436 330 E N 0.211 120.401 120.200 -0.017 0.000 2.219 330 E HA -0.169 4.181 4.350 -0.000 0.000 0.198 330 E C 1.720 178.309 176.600 -0.018 0.000 0.998 330 E CA 1.388 57.776 56.400 -0.019 0.000 0.818 330 E CB -0.933 28.748 29.700 -0.032 0.000 0.741 330 E HN 0.619 nan 8.360 nan 0.000 0.477 331 C N 1.297 120.582 119.300 -0.026 0.000 2.576 331 C HA 0.228 4.688 4.460 -0.000 0.000 0.267 331 C C 0.627 175.648 174.990 0.053 0.000 1.364 331 C CA -0.484 58.529 59.018 -0.009 0.000 1.723 331 C CB -0.937 26.748 27.740 -0.091 0.000 1.778 331 C HN 0.237 nan 8.230 nan 0.000 0.572 332 V N 0.205 120.145 119.914 0.042 0.000 3.046 332 V HA 0.680 4.800 4.120 -0.000 0.000 0.316 332 V C -0.563 175.552 176.094 0.035 0.000 1.104 332 V CA -0.443 61.889 62.300 0.054 0.000 1.006 332 V CB 2.260 34.118 31.823 0.059 0.000 1.058 332 V HN 0.194 nan 8.190 nan 0.000 0.440 344 L N 5.591 126.818 121.223 0.008 0.000 2.334 344 L HA 0.645 4.985 4.340 -0.000 0.000 0.277 344 L C -0.554 176.335 176.870 0.031 0.000 1.075 344 L CA -0.642 54.204 54.840 0.010 0.000 0.804 344 L CB 1.266 43.330 42.059 0.008 0.000 1.174 344 L HN 0.365 nan 8.230 nan 0.000 0.438 345 L N 1.963 123.209 121.223 0.039 0.000 2.323 345 L HA 0.513 4.853 4.340 -0.000 0.000 0.265 345 L C -0.560 176.364 176.870 0.089 0.000 1.012 345 L CA -0.763 54.127 54.840 0.084 0.000 0.820 345 L CB 2.117 44.245 42.059 0.115 0.000 1.334 345 L HN 0.572 nan 8.230 nan 0.000 0.427 346 Q N 0.598 120.471 119.800 0.122 0.000 2.274 346 Q HA 0.321 4.660 4.340 -0.000 0.000 0.260 346 Q C -0.731 175.379 176.000 0.183 0.000 0.974 346 Q CA -0.577 55.288 55.803 0.102 0.000 0.876 346 Q CB 1.698 30.468 28.738 0.052 0.000 1.297 346 Q HN 0.516 nan 8.270 nan 0.000 0.446 347 E N 0.595 120.882 120.200 0.145 0.000 2.553 347 E HA -0.289 4.061 4.350 -0.000 0.000 0.264 347 E C 0.407 177.144 176.600 0.230 0.000 1.068 347 E CA 0.648 57.169 56.400 0.201 0.000 0.774 347 E CB -0.697 29.152 29.700 0.249 0.000 1.349 347 E HN 0.774 nan 8.360 nan 0.000 0.404 348 E N 1.269 121.527 120.200 0.097 0.000 2.153 348 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 348 E C 1.558 178.069 176.600 -0.149 0.000 0.988 348 E CA 1.211 57.576 56.400 -0.059 0.000 0.811 348 E CB 0.178 29.851 29.700 -0.046 0.000 0.746 348 E HN 0.313 nan 8.360 nan 0.000 0.466 349 K N 0.152 120.515 120.400 -0.062 0.000 2.147 349 K HA -0.162 4.158 4.320 -0.000 0.000 0.205 349 K C 2.166 178.601 176.600 -0.275 0.000 1.049 349 K CA 0.901 57.106 56.287 -0.137 0.000 0.936 349 K CB -0.138 32.394 32.500 0.052 0.000 0.722 349 K HN 0.164 nan 8.250 nan 0.000 0.446 350 L N 1.253 122.420 121.223 -0.094 0.000 2.093 350 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 350 L C 1.967 178.712 176.870 -0.208 0.000 1.085 350 L CA 1.277 56.084 54.840 -0.055 0.000 0.755 350 L CB -0.450 41.723 42.059 0.191 0.000 0.904 350 L HN 0.074 nan 8.230 nan 0.000 0.435 351 L N -0.942 120.008 121.223 -0.454 0.000 2.056 351 L HA -0.132 4.207 4.340 -0.000 0.000 0.207 351 L C 2.222 178.796 176.870 -0.493 0.000 1.078 351 L CA 1.743 56.106 54.840 -0.795 0.000 0.749 351 L CB -0.583 40.676 42.059 -1.334 0.000 0.901 351 L HN 0.286 nan 8.230 nan 0.000 0.433 352 L N -0.606 120.324 121.223 -0.488 0.000 2.056 352 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 352 L C 2.686 179.228 176.870 -0.548 0.000 1.078 352 L CA 1.067 55.617 54.840 -0.485 0.000 0.749 352 L CB -0.978 40.737 42.059 -0.573 0.000 0.901 352 L HN 0.366 nan 8.230 nan 0.000 0.433 353 A N -0.264 122.143 122.820 -0.687 0.000 1.902 353 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 353 A C 2.338 179.808 177.584 -0.190 0.000 1.181 353 A CA 1.757 53.546 52.037 -0.414 0.000 0.623 353 A CB -0.764 18.061 19.000 -0.292 0.000 0.818 353 A HN 0.188 nan 8.150 nan 0.000 0.443 354 V N -0.457 119.342 119.914 -0.193 0.000 2.307 354 V HA -0.194 3.925 4.120 -0.000 0.000 0.245 354 V C 2.465 178.497 176.094 -0.102 0.000 1.045 354 V CA 1.824 64.049 62.300 -0.124 0.000 1.024 354 V CB -0.720 31.033 31.823 -0.117 0.000 0.651 354 V HN 0.550 nan 8.190 nan 0.000 0.449 355 L N 0.505 121.647 121.223 -0.135 0.000 2.017 355 L HA -0.184 4.155 4.340 -0.000 0.000 0.208 355 L C 2.455 179.318 176.870 -0.010 0.000 1.073 355 L CA 2.310 57.110 54.840 -0.067 0.000 0.745 355 L CB -0.830 41.173 42.059 -0.094 0.000 0.894 355 L HN 0.311 nan 8.230 nan 0.000 0.432 356 K N -1.614 118.776 120.400 -0.016 0.000 2.026 356 K HA -0.162 4.157 4.320 -0.000 0.000 0.208 356 K C 1.878 178.494 176.600 0.026 0.000 1.048 356 K CA 1.928 58.240 56.287 0.042 0.000 0.929 356 K CB -0.243 32.324 32.500 0.111 0.000 0.713 356 K HN 0.356 nan 8.250 nan 0.000 0.439 357 T N 0.517 115.076 114.554 0.008 0.000 2.720 357 T HA -0.122 4.228 4.350 -0.000 0.000 0.268 357 T C 1.989 176.675 174.700 -0.023 0.000 1.037 357 T CA 1.740 63.842 62.100 0.004 0.000 1.144 357 T CB -0.246 68.617 68.868 -0.008 0.000 0.864 357 T HN 0.248 nan 8.240 nan 0.000 0.444 358 S N 1.313 116.993 115.700 -0.032 0.000 2.356 358 S HA 0.035 4.505 4.470 -0.000 0.000 0.223 358 S C 2.071 176.590 174.600 -0.136 0.000 1.032 358 S CA 0.888 59.061 58.200 -0.045 0.000 1.005 358 S CB -0.516 62.693 63.200 0.015 0.000 0.867 358 S HN 0.345 nan 8.310 nan 0.000 0.449 359 L N 1.013 122.133 121.223 -0.171 0.000 2.042 359 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 359 L C 2.225 178.773 176.870 -0.537 0.000 1.076 359 L CA 1.182 55.735 54.840 -0.478 0.000 0.749 359 L CB -0.588 41.264 42.059 -0.345 0.000 0.893 359 L HN 0.307 nan 8.230 nan 0.000 0.432 360 I N -0.468 119.995 120.570 -0.178 0.000 2.226 360 I HA -0.125 4.044 4.170 -0.000 0.000 0.245 360 I C 1.780 177.872 176.117 -0.041 0.000 1.100 360 I CA 0.618 61.912 61.300 -0.009 0.000 1.374 360 I CB -0.827 37.247 38.000 0.124 0.000 1.057 360 I HN 0.234 nan 8.210 nan 0.000 0.413 364 D N 1.007 121.485 120.400 0.130 0.000 2.219 364 D HA 0.012 4.652 4.640 -0.000 0.000 0.205 364 D C 1.099 177.468 176.300 0.114 0.000 0.970 364 D CA 1.009 55.144 54.000 0.224 0.000 0.851 364 D CB 0.068 40.972 40.800 0.172 0.000 0.943 364 D HN 0.118 nan 8.370 nan 0.000 0.488 365 S N 0.000 115.739 115.700 0.064 0.000 2.498 365 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 365 S CA 0.000 58.224 58.200 0.040 0.000 1.107 365 S CB 0.000 63.209 63.200 0.015 0.000 0.593 365 S HN 0.000 nan 8.310 nan 0.000 0.517