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 3k5o_1_A DATA FIRST_RESID 2 DATA SEQUENCE AQAGFILTRH WRDTPQGTEV SFWLATDNGP LQVTLAPQES VAFIPADQVP DATA SEQUENCE RAQHILQGEQ GFRLTPLALK DFHRQPVYGL YCRAHRQLMN YEKRLREGGV DATA SEQUENCE TVYEADVRPP ERYLMERFIT SPVWVEGDMH NGTIVNARLK PHPDYRPPLK DATA SEQUENCE WVSIDIETTR HGELYCIGLE GCGQRIVYML GPENGDASSL DFELEYVASR DATA SEQUENCE PQLLEKLNAW FANYDPDVII GWNVVQFDLR MLQKHAERYR LPLRLGRDNS DATA SEQUENCE ELEWRXXXXX XXXXFAQAKG RLIIDGIEAL KSAFWNFSSF SLETVAQELL DATA SEQUENCE GEXXXXXNPW DRMDEIDRRF AEDKPALATY NLKNCELVTQ IFHKTEIMPF DATA SEQUENCE LLERATVNGL PVDRHGGSVA AFGHLYFPRM HRAGYVAPNL GEVPPHASPG DATA SEQUENCE GYVMDSRPGL YDSVLVLDYK SLYPSIIRTF LIDPVGLVEG MAQPDPEHST DATA SEQUENCE EGFLDAWFSR EKHCLPEIVT NIWHGRDEAK RQGNKPLSQA LKIIMNAFYG DATA SEQUENCE VLGTTACRFF DPRLASSITM RGHQIMRQTK ALIEAQGYDV IYGDTDSTFV DATA SEQUENCE WLKGAHSEEE AAKIGRALVQ HVNAWWAETL QKQRLTSALE LEYETHFCRF DATA SEQUENCE LMPTIRGXXX XXXKRYAGLI QEGDKQRMVF KGLETXXXXW TPLAQQFQQE DATA SEQUENCE LYLRIFRNEP YQEYVRETID KLMAGELDAR LVYRKRLRRP LSEYQRNVPP DATA SEQUENCE HVRAARLADE ENQKRGRPLQ YQNRGTIKYV WTTNGPEPLD YQRSPLDYEH DATA SEQUENCE YLTRQLQPVA EGILPFIEDN FATLMTGQLG LF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.759 177.584 0.292 0.000 1.274 2 A CA 0.000 52.120 52.037 0.137 0.000 0.836 2 A CB 0.000 19.014 19.000 0.024 0.000 0.831 3 Q N 1.039 121.007 119.800 0.280 0.000 2.245 3 Q HA 0.692 5.035 4.340 0.005 0.000 0.256 3 Q C 0.121 176.196 176.000 0.125 0.000 0.942 3 Q CA -0.566 55.363 55.803 0.209 0.000 0.896 3 Q CB 2.390 31.169 28.738 0.069 0.000 1.272 3 Q HN 1.118 nan 8.270 nan 0.000 0.442 4 A N 1.093 123.790 122.820 -0.205 0.000 2.327 4 A HA 0.798 5.120 4.320 0.005 0.000 0.283 4 A C 0.024 177.088 177.584 -0.868 0.000 1.127 4 A CA 0.174 51.726 52.037 -0.808 0.000 0.810 4 A CB 0.788 19.108 19.000 -1.134 0.000 1.066 4 A HN 0.764 nan 8.150 nan 0.000 0.492 5 G N -0.508 107.799 108.800 -0.821 0.000 2.660 5 G HA2 0.552 4.515 3.960 0.005 0.000 0.290 5 G HA3 0.552 4.515 3.960 0.005 0.000 0.290 5 G C -1.781 173.084 174.900 -0.058 0.000 1.432 5 G CA -0.465 44.366 45.100 -0.449 0.000 0.807 5 G HN 0.802 nan 8.290 nan 0.000 0.485 6 F N 1.117 121.126 119.950 0.099 0.000 2.499 6 F HA 0.610 5.140 4.527 0.005 0.000 0.333 6 F C 0.156 176.031 175.800 0.125 0.000 1.138 6 F CA -0.970 57.130 58.000 0.168 0.000 0.945 6 F CB 1.287 40.439 39.000 0.254 0.000 1.181 6 F HN 0.351 nan 8.300 nan 0.000 0.435 7 I N 7.264 127.742 120.570 -0.153 0.000 2.618 7 I HA -0.032 4.141 4.170 0.005 0.000 0.284 7 I C 0.574 176.801 176.117 0.182 0.000 1.146 7 I CA 0.476 61.790 61.300 0.023 0.000 1.425 7 I CB 0.779 38.724 38.000 -0.092 0.000 1.383 7 I HN 0.772 nan 8.210 nan 0.000 0.562 8 L N 4.323 125.722 121.223 0.293 0.000 2.433 8 L HA 0.176 4.519 4.340 0.005 0.000 0.200 8 L C 0.753 177.756 176.870 0.221 0.000 1.059 8 L CA 0.488 55.502 54.840 0.290 0.000 0.835 8 L CB 0.033 42.276 42.059 0.306 0.000 1.076 8 L HN 0.726 nan 8.230 nan 0.000 0.481 9 T N -1.338 113.384 114.554 0.280 0.000 2.903 9 T HA 0.631 4.984 4.350 0.005 0.000 0.299 9 T C -0.592 174.211 174.700 0.172 0.000 1.093 9 T CA -0.798 61.402 62.100 0.167 0.000 1.002 9 T CB 2.750 71.718 68.868 0.167 0.000 1.127 9 T HN 0.005 nan 8.240 nan 0.000 0.488 10 R N 0.859 121.280 120.500 -0.132 0.000 2.670 10 R HA 0.746 5.089 4.340 0.005 0.000 0.289 10 R C -1.083 174.897 176.300 -0.534 0.000 0.965 10 R CA -0.855 55.202 56.100 -0.071 0.000 0.899 10 R CB 1.512 31.906 30.300 0.157 0.000 1.173 10 R HN 0.768 nan 8.270 nan 0.000 0.456 11 H N 0.814 119.855 119.070 -0.047 0.000 3.016 11 H HA 0.542 5.101 4.556 0.005 0.000 0.362 11 H C -1.187 174.141 175.328 -0.000 0.000 1.233 11 H CA -0.842 55.178 56.048 -0.047 0.000 1.124 11 H CB 1.835 31.571 29.762 -0.044 0.000 1.850 11 H HN 0.664 nan 8.280 nan 0.000 0.549 12 W N 0.705 122.016 121.300 0.019 0.000 3.363 12 W HA 0.661 5.324 4.660 0.005 0.000 0.306 12 W C -1.899 174.617 176.519 -0.006 0.000 1.253 12 W CA -1.052 56.266 57.345 -0.045 0.000 1.195 12 W CB 1.926 31.325 29.460 -0.102 0.000 1.366 12 W HN 0.849 nan 8.180 nan 0.000 0.551 13 R N 1.190 121.828 120.500 0.231 0.000 2.561 13 R HA 0.332 4.675 4.340 0.005 0.000 0.266 13 R C -1.497 174.949 176.300 0.244 0.000 1.091 13 R CA -0.724 55.422 56.100 0.076 0.000 0.927 13 R CB 1.987 32.256 30.300 -0.052 0.000 1.240 13 R HN 0.173 nan 8.270 nan 0.000 0.449 14 D N 2.525 123.086 120.400 0.268 0.000 2.304 14 D HA 0.271 4.914 4.640 0.005 0.000 0.250 14 D C -0.043 176.325 176.300 0.113 0.000 1.107 14 D CA 0.443 54.571 54.000 0.214 0.000 0.885 14 D CB 1.966 42.901 40.800 0.226 0.000 1.192 14 D HN 0.670 nan 8.370 nan 0.000 0.436 15 T N -2.180 112.426 114.554 0.088 0.000 2.865 15 T HA 0.434 4.787 4.350 0.005 0.000 0.294 15 T C -2.185 172.544 174.700 0.048 0.000 1.119 15 T CA -1.540 60.593 62.100 0.055 0.000 1.007 15 T CB 2.257 71.150 68.868 0.042 0.000 1.225 15 T HN -0.037 nan 8.240 nan 0.000 0.515 16 P HA -0.036 nan 4.420 nan 0.000 0.226 16 P C 0.867 178.184 177.300 0.029 0.000 1.146 16 P CA 0.917 64.035 63.100 0.031 0.000 0.773 16 P CB 0.234 31.948 31.700 0.024 0.000 0.772 17 Q N -0.491 119.326 119.800 0.029 0.000 2.319 17 Q HA 0.365 4.708 4.340 0.005 0.000 0.202 17 Q C 0.577 176.596 176.000 0.031 0.000 0.896 17 Q CA 0.453 56.270 55.803 0.024 0.000 0.942 17 Q CB 0.384 29.131 28.738 0.015 0.000 1.083 17 Q HN 0.241 nan 8.270 nan 0.000 0.510 18 G N -0.942 107.884 108.800 0.045 0.000 2.497 18 G HA2 -0.166 3.797 3.960 0.005 0.000 0.686 18 G HA3 -0.166 3.797 3.960 0.005 0.000 0.686 18 G C -0.718 174.224 174.900 0.070 0.000 1.288 18 G CA -0.677 44.457 45.100 0.055 0.000 0.899 18 G HN -0.024 nan 8.290 nan 0.000 0.608 19 T N 1.435 116.041 114.554 0.087 0.000 2.867 19 T HA 0.345 4.698 4.350 0.005 0.000 0.297 19 T C 0.528 175.278 174.700 0.082 0.000 0.989 19 T CA 0.694 62.864 62.100 0.117 0.000 1.159 19 T CB 1.079 70.013 68.868 0.111 0.000 0.928 19 T HN 0.603 nan 8.240 nan 0.000 0.538 20 E N 3.787 124.044 120.200 0.095 0.000 2.115 20 E HA 0.298 4.651 4.350 0.005 0.000 0.282 20 E C -1.169 175.452 176.600 0.035 0.000 0.987 20 E CA -0.504 55.920 56.400 0.040 0.000 0.797 20 E CB 0.809 30.526 29.700 0.027 0.000 1.086 20 E HN 0.307 nan 8.360 nan 0.000 0.397 21 V N 4.125 124.008 119.914 -0.051 0.000 2.435 21 V HA 0.379 4.502 4.120 0.005 0.000 0.290 21 V C -0.018 175.881 176.094 -0.324 0.000 1.030 21 V CA -0.442 61.763 62.300 -0.159 0.000 0.881 21 V CB 1.475 33.182 31.823 -0.194 0.000 0.983 21 V HN 0.768 nan 8.190 nan 0.000 0.445 22 S N 4.051 119.488 115.700 -0.439 0.000 2.595 22 S HA 0.896 5.369 4.470 0.005 0.000 0.281 22 S C -1.286 172.941 174.600 -0.621 0.000 1.117 22 S CA -0.707 57.236 58.200 -0.428 0.000 0.873 22 S CB 2.063 65.177 63.200 -0.143 0.000 1.108 22 S HN 0.295 nan 8.310 nan 0.000 0.477 23 F N -0.499 119.507 119.950 0.094 0.000 2.588 23 F HA 0.612 5.142 4.527 0.005 0.000 0.310 23 F C -1.292 174.542 175.800 0.057 0.000 1.082 23 F CA -0.791 57.312 58.000 0.171 0.000 0.929 23 F CB 1.459 40.519 39.000 0.100 0.000 1.254 23 F HN 0.628 nan 8.300 nan 0.000 0.455 24 W N 3.887 125.393 121.300 0.343 0.000 2.376 24 W HA 0.711 5.374 4.660 0.005 0.000 0.312 24 W C -1.320 175.333 176.519 0.224 0.000 1.060 24 W CA -0.465 57.022 57.345 0.236 0.000 1.221 24 W CB 1.332 30.919 29.460 0.212 0.000 1.281 24 W HN 0.112 nan 8.180 nan 0.000 0.456 25 L N 3.276 124.675 121.223 0.293 0.000 2.331 25 L HA 0.746 5.089 4.340 0.005 0.000 0.275 25 L C 0.334 177.367 176.870 0.272 0.000 1.022 25 L CA -1.128 53.860 54.840 0.247 0.000 0.812 25 L CB 1.354 43.488 42.059 0.124 0.000 1.257 25 L HN 0.469 nan 8.230 nan 0.000 0.435 26 A N 0.932 123.936 122.820 0.306 0.000 2.260 26 A HA 0.732 5.055 4.320 0.005 0.000 0.308 26 A C 0.033 177.781 177.584 0.273 0.000 1.254 26 A CA -0.110 52.098 52.037 0.284 0.000 0.874 26 A CB 0.382 19.555 19.000 0.289 0.000 1.153 26 A HN 0.768 nan 8.150 nan 0.000 0.527 27 T N -1.248 113.424 114.554 0.197 0.000 2.864 27 T HA 0.454 4.807 4.350 0.005 0.000 0.289 27 T C 0.009 174.809 174.700 0.168 0.000 1.082 27 T CA -0.393 61.791 62.100 0.140 0.000 1.009 27 T CB 1.214 70.098 68.868 0.026 0.000 1.234 27 T HN 0.263 nan 8.240 nan 0.000 0.526 28 D N 0.290 120.779 120.400 0.148 0.000 2.263 28 D HA 0.002 4.645 4.640 0.005 0.000 0.208 28 D C 1.084 177.437 176.300 0.089 0.000 0.971 28 D CA 1.196 55.277 54.000 0.134 0.000 0.867 28 D CB -0.252 40.625 40.800 0.127 0.000 0.929 28 D HN 0.645 nan 8.370 nan 0.000 0.492 29 N N -0.373 118.371 118.700 0.074 0.000 2.251 29 N HA 0.374 5.117 4.740 0.005 0.000 0.217 29 N C 0.512 176.064 175.510 0.069 0.000 1.124 29 N CA 0.178 53.265 53.050 0.061 0.000 0.843 29 N CB 1.309 39.825 38.487 0.049 0.000 1.024 29 N HN 0.119 nan 8.380 nan 0.000 0.501 30 G N 1.178 110.032 108.800 0.089 0.000 2.548 30 G HA2 -0.177 3.786 3.960 0.005 0.000 0.208 30 G HA3 -0.177 3.786 3.960 0.005 0.000 0.208 30 G C -2.921 172.061 174.900 0.136 0.000 1.308 30 G CA -1.128 44.035 45.100 0.105 0.000 0.924 30 G HN -0.022 nan 8.290 nan 0.000 0.540 31 P HA 0.493 nan 4.420 nan 0.000 0.271 31 P C -0.736 176.672 177.300 0.180 0.000 1.216 31 P CA 0.104 63.356 63.100 0.253 0.000 0.776 31 P CB 1.504 33.422 31.700 0.364 0.000 0.881 32 L N 2.620 123.913 121.223 0.117 0.000 2.439 32 L HA 0.384 4.727 4.340 0.005 0.000 0.270 32 L C -0.381 176.303 176.870 -0.310 0.000 0.972 32 L CA -0.673 54.130 54.840 -0.062 0.000 0.836 32 L CB 1.911 43.959 42.059 -0.019 0.000 1.255 32 L HN 0.354 nan 8.230 nan 0.000 0.404 33 Q N 3.655 123.058 119.800 -0.663 0.000 2.256 33 Q HA 0.697 5.040 4.340 0.005 0.000 0.254 33 Q C -1.756 173.966 176.000 -0.462 0.000 0.916 33 Q CA -0.539 54.616 55.803 -1.080 0.000 0.932 33 Q CB 1.535 29.397 28.738 -1.460 0.000 1.207 33 Q HN 0.619 nan 8.270 nan 0.000 0.426 34 V N 3.468 123.193 119.914 -0.314 0.000 2.588 34 V HA 0.559 4.682 4.120 0.005 0.000 0.304 34 V C -0.372 175.688 176.094 -0.057 0.000 1.042 34 V CA -0.527 61.720 62.300 -0.089 0.000 0.877 34 V CB 2.005 33.862 31.823 0.057 0.000 0.996 34 V HN 0.995 nan 8.190 nan 0.000 0.425 35 T N 2.951 117.474 114.554 -0.052 0.000 2.900 35 T HA 0.791 5.144 4.350 0.005 0.000 0.295 35 T C -0.769 173.898 174.700 -0.056 0.000 1.044 35 T CA -0.682 61.373 62.100 -0.074 0.000 0.995 35 T CB 1.456 70.272 68.868 -0.085 0.000 1.072 35 T HN 0.359 nan 8.240 nan 0.000 0.473 36 L N 1.910 123.074 121.223 -0.099 0.000 2.431 36 L HA 0.759 5.102 4.340 0.005 0.000 0.260 36 L C 1.183 178.011 176.870 -0.069 0.000 1.098 36 L CA -1.481 53.293 54.840 -0.110 0.000 0.800 36 L CB 0.688 42.604 42.059 -0.239 0.000 1.210 36 L HN 0.975 nan 8.230 nan 0.000 0.465 37 A N 0.926 123.721 122.820 -0.043 0.000 2.406 37 A HA 0.413 4.736 4.320 0.005 0.000 0.243 37 A C -2.292 175.284 177.584 -0.014 0.000 1.082 37 A CA -1.099 50.927 52.037 -0.018 0.000 0.786 37 A CB -0.670 18.331 19.000 0.003 0.000 1.029 37 A HN 0.464 nan 8.150 nan 0.000 0.495 38 P HA 0.044 nan 4.420 nan 0.000 0.260 38 P C -0.807 176.511 177.300 0.031 0.000 1.172 38 P CA 0.584 63.693 63.100 0.016 0.000 0.760 38 P CB 0.307 32.020 31.700 0.022 0.000 0.773 39 Q N 2.314 122.136 119.800 0.036 0.000 2.271 39 Q HA 0.262 4.605 4.340 0.005 0.000 0.258 39 Q C -0.025 176.019 176.000 0.073 0.000 0.936 39 Q CA -0.373 55.465 55.803 0.058 0.000 0.909 39 Q CB 1.679 30.447 28.738 0.049 0.000 1.253 39 Q HN 0.468 nan 8.270 nan 0.000 0.440 40 E N 0.893 121.153 120.200 0.100 0.000 2.301 40 E HA 0.301 4.654 4.350 0.005 0.000 0.275 40 E C -0.729 175.946 176.600 0.125 0.000 1.030 40 E CA -0.153 56.324 56.400 0.127 0.000 0.852 40 E CB 0.887 30.690 29.700 0.170 0.000 1.060 40 E HN 0.438 nan 8.360 nan 0.000 0.401 41 S N 1.787 117.544 115.700 0.096 0.000 2.617 41 S HA 0.505 4.978 4.470 0.005 0.000 0.283 41 S C -0.933 173.622 174.600 -0.075 0.000 1.189 41 S CA -0.792 57.435 58.200 0.045 0.000 1.036 41 S CB 1.856 65.113 63.200 0.096 0.000 1.014 41 S HN 0.381 nan 8.310 nan 0.000 0.522 42 V N 0.841 120.627 119.914 -0.213 0.000 2.888 42 V HA 0.879 5.001 4.120 0.005 0.000 0.309 42 V C -1.021 174.696 176.094 -0.628 0.000 1.114 42 V CA -0.387 61.587 62.300 -0.543 0.000 0.940 42 V CB 1.744 33.077 31.823 -0.817 0.000 1.021 42 V HN 1.122 nan 8.190 nan 0.000 0.426 43 A N 4.713 127.080 122.820 -0.755 0.000 2.532 43 A HA 1.005 5.328 4.320 0.005 0.000 0.290 43 A C -1.715 175.365 177.584 -0.840 0.000 1.143 43 A CA -0.557 51.088 52.037 -0.653 0.000 0.728 43 A CB 1.709 20.546 19.000 -0.272 0.000 1.317 43 A HN 0.766 nan 8.150 nan 0.000 0.414 44 F N -0.541 119.448 119.950 0.065 0.000 2.546 44 F HA 0.771 5.301 4.527 0.005 0.000 0.320 44 F C -0.098 175.783 175.800 0.135 0.000 1.076 44 F CA -0.585 57.495 58.000 0.132 0.000 0.928 44 F CB 1.963 41.095 39.000 0.221 0.000 1.189 44 F HN 0.319 nan 8.300 nan 0.000 0.465 45 I N 2.556 123.330 120.570 0.339 0.000 2.619 45 I HA 0.379 4.552 4.170 0.005 0.000 0.292 45 I C -2.648 173.602 176.117 0.222 0.000 1.100 45 I CA -2.387 59.009 61.300 0.159 0.000 1.043 45 I CB 2.814 40.843 38.000 0.047 0.000 1.239 45 I HN 0.261 nan 8.210 nan 0.000 0.420 46 P HA 0.031 nan 4.420 nan 0.000 0.266 46 P C 0.233 177.585 177.300 0.087 0.000 1.195 46 P CA 0.131 63.343 63.100 0.187 0.000 0.768 46 P CB 0.879 32.659 31.700 0.133 0.000 0.838 47 A N 4.068 126.967 122.820 0.132 0.000 1.883 47 A HA -0.221 4.102 4.320 0.005 0.000 0.217 47 A C 1.724 179.250 177.584 -0.096 0.000 1.186 47 A CA 2.123 54.167 52.037 0.012 0.000 0.624 47 A CB -1.443 17.698 19.000 0.235 0.000 0.822 47 A HN 0.649 nan 8.150 nan 0.000 0.444 48 D N -0.564 119.830 120.400 -0.010 0.000 2.354 48 D HA -0.193 4.450 4.640 0.005 0.000 0.216 48 D C 1.446 177.713 176.300 -0.056 0.000 0.970 48 D CA 1.372 55.356 54.000 -0.025 0.000 0.905 48 D CB -0.519 40.283 40.800 0.002 0.000 0.903 48 D HN 0.627 nan 8.370 nan 0.000 0.508 49 Q N -0.415 119.340 119.800 -0.075 0.000 2.247 49 Q HA 0.163 4.506 4.340 0.005 0.000 0.204 49 Q C 1.734 177.661 176.000 -0.121 0.000 0.872 49 Q CA -0.227 55.528 55.803 -0.081 0.000 0.951 49 Q CB 0.838 29.538 28.738 -0.065 0.000 1.099 49 Q HN 0.129 nan 8.270 nan 0.000 0.501 50 V N 1.130 120.922 119.914 -0.203 0.000 2.343 50 V HA -0.176 3.947 4.120 0.005 0.000 0.247 50 V C -0.918 175.100 176.094 -0.125 0.000 1.051 50 V CA 1.757 63.910 62.300 -0.246 0.000 1.036 50 V CB -1.286 30.230 31.823 -0.512 0.000 0.654 50 V HN 0.274 nan 8.190 nan 0.000 0.451 51 P HA -0.181 nan 4.420 nan 0.000 0.215 51 P C 1.759 179.055 177.300 -0.007 0.000 1.157 51 P CA 1.376 64.454 63.100 -0.036 0.000 0.868 51 P CB -0.069 31.610 31.700 -0.034 0.000 0.788 52 R N 0.372 120.860 120.500 -0.020 0.000 2.081 52 R HA -0.059 4.284 4.340 0.005 0.000 0.235 52 R C 2.027 178.332 176.300 0.008 0.000 1.131 52 R CA 2.025 58.131 56.100 0.011 0.000 0.960 52 R CB -1.560 28.731 30.300 -0.015 0.000 0.856 52 R HN 0.057 nan 8.270 nan 0.000 0.436 53 A N 0.352 123.140 122.820 -0.055 0.000 1.902 53 A HA -0.149 4.174 4.320 0.005 0.000 0.217 53 A C 2.011 179.522 177.584 -0.123 0.000 1.181 53 A CA 1.345 53.315 52.037 -0.112 0.000 0.623 53 A CB -0.447 18.473 19.000 -0.134 0.000 0.818 53 A HN 0.403 nan 8.150 nan 0.000 0.443 54 Q N -0.884 118.892 119.800 -0.041 0.000 2.084 54 Q HA -0.225 4.118 4.340 0.005 0.000 0.202 54 Q C 1.981 177.985 176.000 0.007 0.000 0.978 54 Q CA 2.025 57.840 55.803 0.020 0.000 0.844 54 Q CB -0.564 28.212 28.738 0.064 0.000 0.898 54 Q HN 0.986 nan 8.270 nan 0.000 0.426 55 H N 0.806 119.851 119.070 -0.042 0.000 2.321 55 H HA -0.038 4.521 4.556 0.005 0.000 0.300 55 H C 1.929 177.222 175.328 -0.059 0.000 1.087 55 H CA 1.667 57.692 56.048 -0.038 0.000 1.319 55 H CB -0.331 29.408 29.762 -0.038 0.000 1.379 55 H HN 0.133 nan 8.280 nan 0.000 0.501 56 I N 0.085 120.427 120.570 -0.381 0.000 2.361 56 I HA -0.216 3.957 4.170 0.005 0.000 0.251 56 I C 1.468 177.364 176.117 -0.368 0.000 1.133 56 I CA 1.141 62.192 61.300 -0.415 0.000 1.413 56 I CB -0.056 37.813 38.000 -0.219 0.000 1.073 56 I HN 0.290 nan 8.210 nan 0.000 0.424 57 L N -0.165 120.853 121.223 -0.343 0.000 2.667 57 L HA 0.097 4.440 4.340 0.005 0.000 0.232 57 L C 2.085 178.888 176.870 -0.113 0.000 1.138 57 L CA 0.015 54.631 54.840 -0.373 0.000 0.921 57 L CB -0.226 41.358 42.059 -0.792 0.000 1.180 57 L HN 0.243 nan 8.230 nan 0.000 0.487 58 Q N 1.042 120.780 119.800 -0.103 0.000 2.197 58 Q HA -0.188 4.155 4.340 0.005 0.000 0.207 58 Q C 2.071 178.068 176.000 -0.005 0.000 0.984 58 Q CA 1.845 57.640 55.803 -0.013 0.000 0.869 58 Q CB -0.020 28.703 28.738 -0.025 0.000 0.906 58 Q HN 0.588 nan 8.270 nan 0.000 0.426 59 G N -0.226 108.546 108.800 -0.047 0.000 2.511 59 G HA2 -0.085 3.878 3.960 0.005 0.000 0.217 59 G HA3 -0.085 3.878 3.960 0.005 0.000 0.217 59 G C 0.327 175.236 174.900 0.015 0.000 1.133 59 G CA 0.009 45.098 45.100 -0.018 0.000 0.792 59 G HN 0.187 nan 8.290 nan 0.000 0.539 60 E N 0.168 120.376 120.200 0.015 0.000 2.312 60 E HA 0.457 4.810 4.350 0.005 0.000 0.259 60 E C 0.049 176.750 176.600 0.169 0.000 1.122 60 E CA -0.148 56.301 56.400 0.082 0.000 0.922 60 E CB 0.840 30.485 29.700 -0.092 0.000 1.109 60 E HN 0.127 nan 8.360 nan 0.000 0.442 61 Q N -1.117 118.815 119.800 0.221 0.000 2.552 61 Q HA 0.475 4.818 4.340 0.005 0.000 0.289 61 Q C 0.055 176.196 176.000 0.236 0.000 1.097 61 Q CA -0.566 55.320 55.803 0.139 0.000 0.812 61 Q CB 1.932 30.719 28.738 0.082 0.000 1.460 61 Q HN 0.756 nan 8.270 nan 0.000 0.452 62 G N 1.186 110.036 108.800 0.084 0.000 2.273 62 G HA2 -0.258 3.705 3.960 0.005 0.000 0.280 62 G HA3 -0.258 3.705 3.960 0.005 0.000 0.280 62 G C -0.411 174.637 174.900 0.247 0.000 1.047 62 G CA 1.156 46.331 45.100 0.125 0.000 0.869 62 G HN 0.438 nan 8.290 nan 0.000 0.502 63 F N -1.763 118.274 119.950 0.146 0.000 2.685 63 F HA 0.941 5.471 4.527 0.005 0.000 0.315 63 F C -0.540 175.328 175.800 0.112 0.000 1.126 63 F CA -1.716 56.384 58.000 0.166 0.000 0.950 63 F CB 1.130 40.259 39.000 0.216 0.000 1.360 63 F HN 0.486 nan 8.300 nan 0.000 0.469 64 R N 1.500 122.226 120.500 0.378 0.000 2.680 64 R HA 0.805 5.148 4.340 0.005 0.000 0.269 64 R C -2.548 174.036 176.300 0.474 0.000 1.026 64 R CA -1.094 55.135 56.100 0.214 0.000 0.889 64 R CB 1.970 32.312 30.300 0.071 0.000 1.241 64 R HN 0.863 nan 8.270 nan 0.000 0.463 65 L N 1.669 123.131 121.223 0.399 0.000 2.343 65 L HA 0.539 4.882 4.340 0.005 0.000 0.278 65 L C -0.935 176.180 176.870 0.409 0.000 0.996 65 L CA -0.467 54.643 54.840 0.450 0.000 0.831 65 L CB 2.580 44.900 42.059 0.435 0.000 1.232 65 L HN 0.794 nan 8.230 nan 0.000 0.413 66 T N 3.226 117.997 114.554 0.362 0.000 2.861 66 T HA 0.473 4.826 4.350 0.005 0.000 0.287 66 T C -2.745 171.796 174.700 -0.265 0.000 1.003 66 T CA -1.423 60.728 62.100 0.086 0.000 0.977 66 T CB 2.114 71.044 68.868 0.102 0.000 0.996 66 T HN 0.252 nan 8.240 nan 0.000 0.448 67 P HA 0.434 nan 4.420 nan 0.000 0.275 67 P C -1.018 176.102 177.300 -0.300 0.000 1.228 67 P CA -0.405 62.099 63.100 -0.995 0.000 0.786 67 P CB 0.910 32.107 31.700 -0.838 0.000 0.927 68 L N 0.979 122.111 121.223 -0.152 0.000 2.327 68 L HA 0.588 4.931 4.340 0.005 0.000 0.258 68 L C 0.690 177.530 176.870 -0.050 0.000 1.024 68 L CA -1.273 53.546 54.840 -0.034 0.000 0.825 68 L CB 1.859 43.958 42.059 0.065 0.000 1.386 68 L HN 0.211 nan 8.230 nan 0.000 0.417 69 A N 2.519 125.308 122.820 -0.051 0.000 3.117 69 A HA 0.557 4.880 4.320 0.005 0.000 0.255 69 A C -0.282 177.234 177.584 -0.114 0.000 1.583 69 A CA 0.114 52.108 52.037 -0.073 0.000 1.234 69 A CB -0.851 18.110 19.000 -0.065 0.000 1.076 69 A HN 0.472 nan 8.150 nan 0.000 0.653 70 L N -0.339 120.811 121.223 -0.121 0.000 2.354 70 L HA 0.567 4.910 4.340 0.005 0.000 0.264 70 L C -0.254 176.514 176.870 -0.170 0.000 1.008 70 L CA -0.754 53.969 54.840 -0.195 0.000 0.819 70 L CB 2.570 44.475 42.059 -0.256 0.000 1.339 70 L HN 0.302 nan 8.230 nan 0.000 0.420 71 K N 0.271 120.525 120.400 -0.244 0.000 2.395 71 K HA 0.432 4.755 4.320 0.005 0.000 0.247 71 K C -1.434 175.192 176.600 0.043 0.000 0.973 71 K CA -0.995 55.222 56.287 -0.117 0.000 0.828 71 K CB 1.989 34.356 32.500 -0.222 0.000 1.272 71 K HN 0.562 nan 8.250 nan 0.000 0.439 72 D N -0.236 120.239 120.400 0.126 0.000 2.466 72 D HA 0.078 4.721 4.640 0.005 0.000 0.262 72 D C 0.493 176.991 176.300 0.330 0.000 1.177 72 D CA -0.513 53.532 54.000 0.074 0.000 1.035 72 D CB 0.246 41.026 40.800 -0.032 0.000 1.105 72 D HN 0.278 nan 8.370 nan 0.000 0.551 73 F N -0.761 119.125 119.950 -0.107 0.000 2.641 73 F HA -0.066 4.464 4.527 0.005 0.000 0.298 73 F C 1.800 177.484 175.800 -0.193 0.000 1.146 73 F CA 0.645 58.545 58.000 -0.167 0.000 1.464 73 F CB -0.429 38.414 39.000 -0.261 0.000 1.101 73 F HN 0.418 nan 8.300 nan 0.000 0.585 74 H N -0.032 119.162 119.070 0.206 0.000 2.529 74 H HA 0.230 4.789 4.556 0.005 0.000 0.277 74 H C 0.646 176.046 175.328 0.121 0.000 1.004 74 H CA 0.129 56.260 56.048 0.139 0.000 1.167 74 H CB 0.172 30.019 29.762 0.141 0.000 1.445 74 H HN 0.161 nan 8.280 nan 0.000 0.554 75 R N 0.520 121.161 120.500 0.235 0.000 3.776 75 R HA -0.123 4.220 4.340 0.005 0.000 0.312 75 R C -0.686 175.699 176.300 0.142 0.000 1.181 75 R CA 0.254 56.471 56.100 0.195 0.000 0.836 75 R CB -1.321 29.060 30.300 0.135 0.000 1.324 75 R HN 0.245 nan 8.270 nan 0.000 0.501 76 Q N 0.308 120.215 119.800 0.179 0.000 2.282 76 Q HA 0.401 4.744 4.340 0.005 0.000 0.260 76 Q C -2.306 173.777 176.000 0.138 0.000 0.964 76 Q CA -2.647 53.245 55.803 0.147 0.000 0.880 76 Q CB 1.288 30.127 28.738 0.168 0.000 1.286 76 Q HN -0.088 nan 8.270 nan 0.000 0.445 77 P HA -0.043 nan 4.420 nan 0.000 0.266 77 P C -0.563 176.859 177.300 0.203 0.000 1.193 77 P CA 0.099 63.270 63.100 0.120 0.000 0.770 77 P CB 0.538 32.310 31.700 0.120 0.000 0.836 78 V N 0.394 120.435 119.914 0.211 0.000 3.074 78 V HA 0.587 4.709 4.120 0.005 0.000 0.314 78 V C -1.070 175.277 176.094 0.422 0.000 1.117 78 V CA -1.046 61.451 62.300 0.328 0.000 1.014 78 V CB 1.734 33.734 31.823 0.296 0.000 1.057 78 V HN 0.378 nan 8.190 nan 0.000 0.438 79 Y N -0.265 120.165 120.300 0.218 0.000 2.549 79 Y HA 0.769 5.322 4.550 0.005 0.000 0.339 79 Y C 0.836 176.900 175.900 0.273 0.000 1.053 79 Y CA -0.526 57.703 58.100 0.215 0.000 1.105 79 Y CB 2.589 41.146 38.460 0.160 0.000 1.258 79 Y HN 0.998 nan 8.280 nan 0.000 0.478 80 G N 1.940 110.957 108.800 0.361 0.000 2.343 80 G HA2 0.463 4.425 3.960 0.005 0.000 0.319 80 G HA3 0.463 4.425 3.960 0.005 0.000 0.319 80 G C -1.924 172.964 174.900 -0.019 0.000 1.126 80 G CA -0.514 44.611 45.100 0.042 0.000 0.889 80 G HN 0.432 nan 8.290 nan 0.000 0.457 81 L N 3.091 124.180 121.223 -0.223 0.000 2.272 81 L HA 0.536 4.879 4.340 0.005 0.000 0.284 81 L C -1.169 175.613 176.870 -0.146 0.000 1.045 81 L CA -1.138 53.676 54.840 -0.044 0.000 0.842 81 L CB -0.244 41.771 42.059 -0.073 0.000 1.224 81 L HN 0.470 nan 8.230 nan 0.000 0.430 82 Y N 3.564 123.921 120.300 0.095 0.000 2.323 82 Y HA 0.601 5.154 4.550 0.005 0.000 0.331 82 Y C 0.376 176.352 175.900 0.127 0.000 1.092 82 Y CA -0.311 57.830 58.100 0.069 0.000 1.150 82 Y CB 1.383 39.880 38.460 0.062 0.000 1.200 82 Y HN 0.505 nan 8.280 nan 0.000 0.472 83 C N 2.391 121.822 119.300 0.218 0.000 2.898 83 C HA 0.397 4.860 4.460 0.005 0.000 0.304 83 C C 1.021 176.081 174.990 0.116 0.000 1.237 83 C CA -1.170 57.946 59.018 0.164 0.000 1.529 83 C CB 2.338 30.115 27.740 0.062 0.000 2.021 83 C HN 0.900 nan 8.230 nan 0.000 0.474 84 R N 0.711 121.269 120.500 0.097 0.000 2.300 84 R HA 0.295 4.638 4.340 0.005 0.000 0.199 84 R C 0.310 176.651 176.300 0.067 0.000 0.920 84 R CA 0.248 56.395 56.100 0.079 0.000 1.046 84 R CB 0.275 30.615 30.300 0.067 0.000 0.984 84 R HN 0.739 nan 8.270 nan 0.000 0.493 85 A N 0.226 123.073 122.820 0.045 0.000 2.343 85 A HA 0.248 4.571 4.320 0.005 0.000 0.308 85 A C 0.117 177.694 177.584 -0.012 0.000 1.092 85 A CA -0.657 51.407 52.037 0.044 0.000 0.751 85 A CB 0.985 20.001 19.000 0.027 0.000 1.203 85 A HN 0.171 nan 8.150 nan 0.000 0.452 86 H N 1.709 120.741 119.070 -0.065 0.000 2.395 86 H HA -0.071 4.488 4.556 0.005 0.000 0.299 86 H C 1.979 177.222 175.328 -0.140 0.000 1.070 86 H CA 1.909 57.832 56.048 -0.208 0.000 1.356 86 H CB 0.308 29.724 29.762 -0.577 0.000 1.401 86 H HN 0.737 nan 8.280 nan 0.000 0.524 87 R N 1.624 122.165 120.500 0.067 0.000 2.120 87 R HA -0.127 4.216 4.340 0.005 0.000 0.234 87 R C 2.578 178.798 176.300 -0.134 0.000 1.123 87 R CA 1.845 57.984 56.100 0.065 0.000 0.975 87 R CB -0.442 29.965 30.300 0.178 0.000 0.866 87 R HN 0.651 nan 8.270 nan 0.000 0.446 88 Q N -0.532 119.141 119.800 -0.211 0.000 2.137 88 Q HA -0.115 4.228 4.340 0.005 0.000 0.198 88 Q C 1.899 177.461 176.000 -0.730 0.000 0.960 88 Q CA 1.353 56.894 55.803 -0.438 0.000 0.847 88 Q CB -0.499 28.026 28.738 -0.355 0.000 0.915 88 Q HN 0.347 nan 8.270 nan 0.000 0.448 89 L N 0.606 121.523 121.223 -0.510 0.000 2.046 89 L HA -0.066 4.277 4.340 0.005 0.000 0.208 89 L C 2.328 178.971 176.870 -0.379 0.000 1.077 89 L CA 1.750 56.329 54.840 -0.435 0.000 0.747 89 L CB -0.354 41.457 42.059 -0.414 0.000 0.896 89 L HN 0.277 nan 8.230 nan 0.000 0.432 90 M N -0.506 118.855 119.600 -0.399 0.000 2.117 90 M HA -0.206 4.277 4.480 0.005 0.000 0.262 90 M C 2.075 178.287 176.300 -0.146 0.000 1.065 90 M CA 1.994 57.149 55.300 -0.243 0.000 1.114 90 M CB -0.547 31.953 32.600 -0.166 0.000 1.361 90 M HN 0.410 nan 8.290 nan 0.000 0.408 91 N N -0.205 118.391 118.700 -0.174 0.000 2.244 91 N HA -0.170 4.573 4.740 0.005 0.000 0.183 91 N C 1.395 176.924 175.510 0.031 0.000 1.016 91 N CA 1.524 54.527 53.050 -0.078 0.000 0.866 91 N CB -0.116 38.321 38.487 -0.083 0.000 0.980 91 N HN 0.282 nan 8.380 nan 0.000 0.430 92 Y N 1.243 121.477 120.300 -0.110 0.000 2.224 92 Y HA -0.038 4.515 4.550 0.005 0.000 0.289 92 Y C 2.139 177.949 175.900 -0.149 0.000 1.146 92 Y CA 0.831 58.842 58.100 -0.150 0.000 1.182 92 Y CB -0.732 37.605 38.460 -0.205 0.000 0.983 92 Y HN 0.283 nan 8.280 nan 0.000 0.524 93 E N 0.045 120.259 120.200 0.024 0.000 2.077 93 E HA -0.194 4.159 4.350 0.005 0.000 0.193 93 E C 2.179 178.763 176.600 -0.027 0.000 0.989 93 E CA 1.092 57.472 56.400 -0.033 0.000 0.800 93 E CB -0.138 29.525 29.700 -0.061 0.000 0.746 93 E HN 0.337 nan 8.360 nan 0.000 0.452 94 K N 0.922 121.314 120.400 -0.015 0.000 2.009 94 K HA -0.190 4.133 4.320 0.005 0.000 0.210 94 K C 2.292 178.885 176.600 -0.011 0.000 1.049 94 K CA 1.291 57.572 56.287 -0.010 0.000 0.929 94 K CB -0.017 32.482 32.500 -0.002 0.000 0.714 94 K HN -0.083 nan 8.250 nan 0.000 0.440 95 R N 0.459 120.959 120.500 -0.001 0.000 2.083 95 R HA -0.088 4.255 4.340 0.005 0.000 0.237 95 R C 2.336 178.606 176.300 -0.050 0.000 1.137 95 R CA 1.424 57.512 56.100 -0.020 0.000 0.951 95 R CB -0.200 30.093 30.300 -0.012 0.000 0.851 95 R HN 0.176 nan 8.270 nan 0.000 0.434 96 L N -0.332 120.852 121.223 -0.065 0.000 2.056 96 L HA -0.150 4.192 4.340 0.005 0.000 0.207 96 L C 2.747 179.578 176.870 -0.065 0.000 1.078 96 L CA 1.206 55.995 54.840 -0.085 0.000 0.749 96 L CB -0.432 41.563 42.059 -0.106 0.000 0.901 96 L HN 0.195 nan 8.230 nan 0.000 0.433 97 R N 0.244 120.712 120.500 -0.054 0.000 2.081 97 R HA -0.220 4.123 4.340 0.005 0.000 0.235 97 R C 2.225 178.505 176.300 -0.034 0.000 1.131 97 R CA 1.777 57.850 56.100 -0.046 0.000 0.960 97 R CB -0.169 30.109 30.300 -0.036 0.000 0.856 97 R HN 0.406 nan 8.270 nan 0.000 0.436 98 E N -0.883 119.300 120.200 -0.028 0.000 2.110 98 E HA -0.132 4.221 4.350 0.005 0.000 0.193 98 E C 1.338 177.927 176.600 -0.018 0.000 0.988 98 E CA 1.252 57.640 56.400 -0.019 0.000 0.804 98 E CB -0.140 29.551 29.700 -0.016 0.000 0.745 98 E HN 0.456 nan 8.360 nan 0.000 0.458 99 G N -0.805 107.980 108.800 -0.025 0.000 3.181 99 G HA2 0.184 4.147 3.960 0.005 0.000 0.219 99 G HA3 0.184 4.147 3.960 0.005 0.000 0.219 99 G C 0.915 175.805 174.900 -0.018 0.000 1.182 99 G CA 0.224 45.315 45.100 -0.014 0.000 0.791 99 G HN 0.458 nan 8.290 nan 0.000 0.537 100 G N -1.078 107.705 108.800 -0.028 0.000 2.143 100 G HA2 -0.255 3.708 3.960 0.005 0.000 0.249 100 G HA3 -0.255 3.708 3.960 0.005 0.000 0.249 100 G C 0.264 175.135 174.900 -0.048 0.000 0.981 100 G CA 0.168 45.248 45.100 -0.033 0.000 0.665 100 G HN 0.681 nan 8.290 nan 0.000 0.528 101 V N 1.274 121.151 119.914 -0.060 0.000 2.546 101 V HA 0.496 4.619 4.120 0.005 0.000 0.284 101 V C 1.047 177.075 176.094 -0.111 0.000 1.050 101 V CA 0.189 62.440 62.300 -0.082 0.000 0.981 101 V CB 1.533 33.302 31.823 -0.090 0.000 0.990 101 V HN 0.287 nan 8.190 nan 0.000 0.474 102 T N 4.831 119.297 114.554 -0.147 0.000 2.794 102 T HA 0.437 4.790 4.350 0.005 0.000 0.296 102 T C -0.206 174.291 174.700 -0.337 0.000 0.949 102 T CA -0.106 61.845 62.100 -0.248 0.000 1.101 102 T CB 0.837 69.528 68.868 -0.295 0.000 0.905 102 T HN 0.415 nan 8.240 nan 0.000 0.516 103 V N 4.628 124.347 119.914 -0.325 0.000 2.540 103 V HA 0.442 4.564 4.120 0.005 0.000 0.302 103 V C -1.099 174.868 176.094 -0.211 0.000 1.035 103 V CA -1.036 61.121 62.300 -0.238 0.000 0.873 103 V CB 1.245 33.001 31.823 -0.112 0.000 0.992 103 V HN 0.732 nan 8.190 nan 0.000 0.428 104 Y N 1.220 121.596 120.300 0.128 0.000 2.420 104 Y HA 0.440 4.993 4.550 0.005 0.000 0.334 104 Y C 0.997 177.034 175.900 0.228 0.000 1.094 104 Y CA -1.370 56.837 58.100 0.177 0.000 1.126 104 Y CB 1.026 39.630 38.460 0.240 0.000 1.217 104 Y HN 0.800 nan 8.280 nan 0.000 0.462 105 E N 0.086 120.530 120.200 0.406 0.000 2.440 105 E HA -0.284 4.069 4.350 0.005 0.000 0.246 105 E C 0.544 177.273 176.600 0.215 0.000 1.165 105 E CA 0.455 57.084 56.400 0.382 0.000 0.726 105 E CB -0.957 29.079 29.700 0.560 0.000 1.271 105 E HN 0.759 nan 8.360 nan 0.000 0.397 106 A N 0.705 123.605 122.820 0.133 0.000 2.178 106 A HA -0.097 4.226 4.320 0.005 0.000 0.211 106 A C 1.719 179.342 177.584 0.066 0.000 1.157 106 A CA 0.923 52.988 52.037 0.047 0.000 0.780 106 A CB 0.086 19.088 19.000 0.003 0.000 0.828 106 A HN 0.437 nan 8.150 nan 0.000 0.476 107 D N -0.186 120.273 120.400 0.099 0.000 2.347 107 D HA -0.007 4.636 4.640 0.005 0.000 0.213 107 D C 0.219 176.567 176.300 0.079 0.000 0.985 107 D CA 0.261 54.312 54.000 0.084 0.000 0.879 107 D CB -0.414 40.433 40.800 0.080 0.000 0.919 107 D HN 0.137 nan 8.370 nan 0.000 0.526 108 V N 2.888 122.864 119.914 0.103 0.000 2.415 108 V HA 0.078 4.201 4.120 0.005 0.000 0.267 108 V C 0.830 176.924 176.094 0.001 0.000 1.042 108 V CA -0.383 61.959 62.300 0.070 0.000 1.000 108 V CB 0.403 32.317 31.823 0.151 0.000 1.015 108 V HN 0.055 nan 8.190 nan 0.000 0.478 109 R N 5.889 126.325 120.500 -0.106 0.000 2.637 109 R HA 0.259 4.602 4.340 0.005 0.000 0.269 109 R C -1.527 174.529 176.300 -0.406 0.000 1.089 109 R CA -2.274 53.574 56.100 -0.420 0.000 1.177 109 R CB 0.050 30.179 30.300 -0.285 0.000 1.091 109 R HN 0.297 nan 8.270 nan 0.000 0.540 110 P HA -0.107 nan 4.420 nan 0.000 0.215 110 P C -1.437 175.835 177.300 -0.047 0.000 1.157 110 P CA 1.701 64.586 63.100 -0.359 0.000 0.874 110 P CB -0.539 30.862 31.700 -0.497 0.000 0.790 111 P HA -0.140 nan 4.420 nan 0.000 0.215 111 P C 1.392 178.882 177.300 0.317 0.000 1.157 111 P CA 1.488 64.727 63.100 0.231 0.000 0.863 111 P CB -0.335 31.496 31.700 0.218 0.000 0.787 112 E N -0.784 119.525 120.200 0.182 0.000 2.153 112 E HA -0.179 4.174 4.350 0.005 0.000 0.194 112 E C 2.076 178.746 176.600 0.117 0.000 0.988 112 E CA 0.875 57.375 56.400 0.166 0.000 0.811 112 E CB -0.641 29.119 29.700 0.101 0.000 0.746 112 E HN 0.020 nan 8.360 nan 0.000 0.466 113 R N -0.147 120.417 120.500 0.106 0.000 2.083 113 R HA -0.189 4.154 4.340 0.005 0.000 0.237 113 R C 2.150 178.538 176.300 0.147 0.000 1.137 113 R CA 1.554 57.725 56.100 0.119 0.000 0.951 113 R CB -1.064 29.295 30.300 0.100 0.000 0.851 113 R HN 0.342 nan 8.270 nan 0.000 0.434 114 Y N 0.357 120.716 120.300 0.099 0.000 2.163 114 Y HA -0.083 4.470 4.550 0.005 0.000 0.288 114 Y C 1.792 177.742 175.900 0.084 0.000 1.136 114 Y CA 1.935 60.107 58.100 0.120 0.000 1.147 114 Y CB -0.149 38.437 38.460 0.209 0.000 0.987 114 Y HN 0.064 nan 8.280 nan 0.000 0.509 115 L N -0.760 120.549 121.223 0.143 0.000 2.056 115 L HA -0.251 4.092 4.340 0.005 0.000 0.207 115 L C 2.593 179.393 176.870 -0.116 0.000 1.078 115 L CA 1.546 56.389 54.840 0.005 0.000 0.749 115 L CB -0.571 41.578 42.059 0.151 0.000 0.901 115 L HN 0.316 nan 8.230 nan 0.000 0.433 116 M N -0.515 118.979 119.600 -0.177 0.000 2.080 116 M HA -0.213 4.270 4.480 0.005 0.000 0.260 116 M C 2.140 178.216 176.300 -0.374 0.000 1.068 116 M CA 1.645 56.699 55.300 -0.410 0.000 1.109 116 M CB -0.265 32.128 32.600 -0.346 0.000 1.342 116 M HN 0.153 nan 8.290 nan 0.000 0.405 117 E N -0.052 119.998 120.200 -0.250 0.000 2.409 117 E HA -0.116 4.237 4.350 0.005 0.000 0.198 117 E C 1.268 177.633 176.600 -0.393 0.000 1.024 117 E CA 0.935 57.168 56.400 -0.279 0.000 0.861 117 E CB -0.168 29.468 29.700 -0.106 0.000 0.788 117 E HN 0.522 nan 8.360 nan 0.000 0.521 118 R N -0.602 119.692 120.500 -0.342 0.000 2.468 118 R HA 0.150 4.493 4.340 0.005 0.000 0.280 118 R C -0.314 176.029 176.300 0.071 0.000 0.963 118 R CA -0.279 55.730 56.100 -0.151 0.000 1.083 118 R CB 0.123 30.291 30.300 -0.220 0.000 1.200 118 R HN -0.024 nan 8.270 nan 0.000 0.541 119 F N -0.029 119.891 119.950 -0.049 0.000 3.074 119 F HA -0.253 4.277 4.527 0.005 0.000 0.289 119 F C -0.030 175.784 175.800 0.023 0.000 0.863 119 F CA 0.309 58.305 58.000 -0.007 0.000 1.121 119 F CB -1.861 37.140 39.000 0.001 0.000 1.169 119 F HN 0.053 nan 8.300 nan 0.000 0.570 120 I N 0.241 120.880 120.570 0.116 0.000 2.353 120 I HA 0.300 4.472 4.170 0.005 0.000 0.293 120 I C 1.291 177.488 176.117 0.133 0.000 0.992 120 I CA 0.351 61.703 61.300 0.087 0.000 1.268 120 I CB 1.518 39.510 38.000 -0.012 0.000 1.387 120 I HN 0.274 nan 8.210 nan 0.000 0.478 121 T N 0.250 114.828 114.554 0.040 0.000 3.610 121 T HA 0.175 4.528 4.350 0.005 0.000 0.209 121 T C 1.207 175.797 174.700 -0.182 0.000 0.889 121 T CA 0.323 62.392 62.100 -0.052 0.000 1.469 121 T CB 0.245 69.083 68.868 -0.050 0.000 1.557 121 T HN 0.451 nan 8.240 nan 0.000 0.431 122 S N 1.446 116.968 115.700 -0.297 0.000 3.039 122 S HA 0.383 4.856 4.470 0.005 0.000 0.251 122 S C -2.423 171.775 174.600 -0.670 0.000 1.064 122 S CA -0.234 57.580 58.200 -0.643 0.000 0.822 122 S CB -0.089 62.421 63.200 -1.151 0.000 0.802 122 S HN 0.361 nan 8.310 nan 0.000 0.519 123 P HA 0.233 nan 4.420 nan 0.000 0.267 123 P C -0.860 176.403 177.300 -0.062 0.000 1.205 123 P CA 0.191 63.226 63.100 -0.109 0.000 0.765 123 P CB 0.953 32.716 31.700 0.105 0.000 0.828 124 V N 0.421 120.279 119.914 -0.094 0.000 3.188 124 V HA 0.642 4.765 4.120 0.005 0.000 0.305 124 V C -1.812 174.223 176.094 -0.099 0.000 1.232 124 V CA -1.259 61.013 62.300 -0.047 0.000 1.043 124 V CB 2.021 33.813 31.823 -0.053 0.000 1.068 124 V HN 0.401 nan 8.190 nan 0.000 0.439 125 W N 1.225 122.582 121.300 0.096 0.000 2.529 125 W HA 0.796 5.459 4.660 0.005 0.000 0.321 125 W C -0.496 176.046 176.519 0.038 0.000 1.047 125 W CA -0.767 56.626 57.345 0.081 0.000 1.216 125 W CB 2.058 31.550 29.460 0.054 0.000 1.357 125 W HN 0.689 nan 8.180 nan 0.000 0.489 126 V N 4.846 124.939 119.914 0.299 0.000 2.735 126 V HA 0.603 4.726 4.120 0.005 0.000 0.310 126 V C -0.857 175.333 176.094 0.160 0.000 1.061 126 V CA -0.538 61.871 62.300 0.183 0.000 0.913 126 V CB 1.722 33.609 31.823 0.106 0.000 1.005 126 V HN 0.676 nan 8.190 nan 0.000 0.428 127 E N 4.636 124.909 120.200 0.122 0.000 2.393 127 E HA 0.911 5.264 4.350 0.005 0.000 0.273 127 E C -0.271 176.372 176.600 0.071 0.000 0.918 127 E CA -0.644 55.808 56.400 0.086 0.000 0.773 127 E CB 2.656 32.394 29.700 0.063 0.000 1.275 127 E HN 1.226 nan 8.360 nan 0.000 0.451 128 G N 0.831 109.663 108.800 0.053 0.000 2.344 128 G HA2 0.133 4.096 3.960 0.005 0.000 0.282 128 G HA3 0.133 4.096 3.960 0.005 0.000 0.282 128 G C -1.898 173.024 174.900 0.036 0.000 1.281 128 G CA -0.849 44.277 45.100 0.043 0.000 0.877 128 G HN 0.481 nan 8.290 nan 0.000 0.494 129 D N 0.870 121.289 120.400 0.032 0.000 2.232 129 D HA 0.460 5.103 4.640 0.005 0.000 0.242 129 D C 0.152 176.486 176.300 0.056 0.000 1.093 129 D CA -0.286 53.737 54.000 0.039 0.000 0.845 129 D CB 1.872 42.691 40.800 0.031 0.000 1.124 129 D HN 0.384 nan 8.370 nan 0.000 0.467 130 M N 3.385 123.020 119.600 0.058 0.000 2.194 130 M HA 0.059 4.542 4.480 0.005 0.000 0.347 130 M C -0.982 175.382 176.300 0.107 0.000 1.439 130 M CA 0.121 55.457 55.300 0.061 0.000 1.131 130 M CB -0.047 32.575 32.600 0.037 0.000 1.733 130 M HN 0.288 nan 8.290 nan 0.000 0.467 131 H N 6.354 125.417 119.070 -0.012 0.000 2.970 131 H HA 0.298 4.857 4.556 0.005 0.000 0.315 131 H C -0.614 174.707 175.328 -0.012 0.000 0.992 131 H CA -0.074 55.968 56.048 -0.009 0.000 1.363 131 H CB 0.495 30.251 29.762 -0.010 0.000 1.532 131 H HN 0.888 nan 8.280 nan 0.000 0.514 132 N N 3.727 122.270 118.700 -0.261 0.000 2.740 132 N HA -0.185 4.558 4.740 0.005 0.000 0.248 132 N C 1.054 176.523 175.510 -0.069 0.000 1.062 132 N CA 1.258 54.195 53.050 -0.189 0.000 0.704 132 N CB -1.482 36.866 38.487 -0.232 0.000 0.968 132 N HN 1.052 nan 8.380 nan 0.000 0.547 133 G N -2.132 106.643 108.800 -0.042 0.000 2.184 133 G HA2 -0.334 3.629 3.960 0.005 0.000 0.264 133 G HA3 -0.334 3.629 3.960 0.005 0.000 0.264 133 G C 0.194 175.075 174.900 -0.033 0.000 0.975 133 G CA 0.997 46.084 45.100 -0.021 0.000 0.642 133 G HN 0.567 nan 8.290 nan 0.000 0.536 134 T N 0.924 115.462 114.554 -0.027 0.000 2.885 134 T HA 0.647 5.000 4.350 0.005 0.000 0.285 134 T C 0.348 175.039 174.700 -0.014 0.000 1.019 134 T CA -0.512 61.553 62.100 -0.058 0.000 1.010 134 T CB 1.744 70.579 68.868 -0.054 0.000 1.022 134 T HN 0.261 nan 8.240 nan 0.000 0.466 135 I N 3.590 124.135 120.570 -0.041 0.000 2.304 135 I HA 0.405 4.578 4.170 0.005 0.000 0.291 135 I C 0.318 176.430 176.117 -0.008 0.000 1.018 135 I CA -0.827 60.471 61.300 -0.004 0.000 1.260 135 I CB 0.913 38.915 38.000 0.003 0.000 1.390 135 I HN 0.350 nan 8.210 nan 0.000 0.475 136 V N 3.423 123.340 119.914 0.006 0.000 2.881 136 V HA 0.558 4.681 4.120 0.005 0.000 0.316 136 V C 0.446 176.534 176.094 -0.011 0.000 1.070 136 V CA -0.745 61.544 62.300 -0.018 0.000 0.976 136 V CB 1.676 33.468 31.823 -0.051 0.000 1.038 136 V HN 0.871 nan 8.190 nan 0.000 0.446 137 N N 0.201 118.891 118.700 -0.018 0.000 2.735 137 N HA -0.164 4.579 4.740 0.005 0.000 0.248 137 N C 0.267 175.790 175.510 0.022 0.000 1.083 137 N CA 1.144 54.193 53.050 -0.003 0.000 0.703 137 N CB -1.196 37.288 38.487 -0.004 0.000 1.005 137 N HN 1.493 nan 8.380 nan 0.000 0.550 138 A N 0.335 123.171 122.820 0.027 0.000 2.366 138 A HA 0.580 4.903 4.320 0.005 0.000 0.249 138 A C 0.691 178.338 177.584 0.105 0.000 1.084 138 A CA 0.085 52.160 52.037 0.063 0.000 0.794 138 A CB 0.764 19.806 19.000 0.070 0.000 1.034 138 A HN 0.298 nan 8.150 nan 0.000 0.491 139 R N 0.042 120.627 120.500 0.142 0.000 2.575 139 R HA 0.566 4.909 4.340 0.005 0.000 0.293 139 R C -1.873 174.554 176.300 0.213 0.000 0.983 139 R CA -0.618 55.606 56.100 0.207 0.000 0.887 139 R CB 1.607 31.995 30.300 0.147 0.000 1.184 139 R HN 0.551 nan 8.270 nan 0.000 0.445 140 L N 2.860 124.251 121.223 0.280 0.000 2.354 140 L HA 0.579 4.922 4.340 0.005 0.000 0.269 140 L C -0.469 176.484 176.870 0.138 0.000 1.005 140 L CA -0.523 54.433 54.840 0.194 0.000 0.819 140 L CB 1.778 43.934 42.059 0.162 0.000 1.311 140 L HN 0.583 nan 8.230 nan 0.000 0.423 141 K N 0.684 121.178 120.400 0.156 0.000 2.512 141 K HA 0.769 5.092 4.320 0.005 0.000 0.263 141 K C -3.023 173.687 176.600 0.183 0.000 0.966 141 K CA -2.087 54.289 56.287 0.148 0.000 0.851 141 K CB 1.683 34.275 32.500 0.153 0.000 1.395 141 K HN 0.092 nan 8.250 nan 0.000 0.440 142 P HA -0.029 nan 4.420 nan 0.000 0.268 142 P C -1.181 176.250 177.300 0.218 0.000 1.205 142 P CA 0.059 63.254 63.100 0.159 0.000 0.771 142 P CB 0.319 32.106 31.700 0.145 0.000 0.858 143 H N 5.001 124.096 119.070 0.042 0.000 2.481 143 H HA 0.208 4.767 4.556 0.005 0.000 0.333 143 H C -1.534 173.826 175.328 0.054 0.000 1.066 143 H CA -2.247 53.773 56.048 -0.047 0.000 1.209 143 H CB 1.625 31.163 29.762 -0.375 0.000 1.445 143 H HN 0.301 nan 8.280 nan 0.000 0.488 144 P HA -0.109 nan 4.420 nan 0.000 0.218 144 P C -0.057 177.401 177.300 0.264 0.000 1.149 144 P CA 1.399 64.616 63.100 0.195 0.000 0.817 144 P CB 0.675 32.451 31.700 0.126 0.000 0.785 145 D N -4.896 115.770 120.400 0.445 0.000 2.497 145 D HA -0.020 4.623 4.640 0.005 0.000 0.256 145 D C 0.202 176.584 176.300 0.136 0.000 1.273 145 D CA -0.646 53.510 54.000 0.260 0.000 0.812 145 D CB -1.174 39.754 40.800 0.212 0.000 1.190 145 D HN -0.003 nan 8.370 nan 0.000 0.524 146 Y N 2.368 122.565 120.300 -0.171 0.000 2.620 146 Y HA 0.316 4.869 4.550 0.005 0.000 0.330 146 Y C -0.162 175.698 175.900 -0.068 0.000 1.186 146 Y CA 0.113 57.981 58.100 -0.386 0.000 1.467 146 Y CB 0.456 38.331 38.460 -0.975 0.000 1.262 146 Y HN -0.174 nan 8.280 nan 0.000 0.550 147 R N 7.419 127.324 120.500 -0.991 0.000 2.575 147 R HA 0.391 4.734 4.340 0.005 0.000 0.293 147 R C -2.896 172.727 176.300 -1.128 0.000 0.983 147 R CA -2.176 53.464 56.100 -0.766 0.000 0.887 147 R CB 1.625 31.684 30.300 -0.402 0.000 1.184 147 R HN 0.515 nan 8.270 nan 0.000 0.445 148 P HA 0.365 nan 4.420 nan 0.000 0.284 148 P C -2.510 174.676 177.300 -0.189 0.000 1.258 148 P CA -1.524 61.362 63.100 -0.357 0.000 0.824 148 P CB 0.767 32.447 31.700 -0.034 0.000 1.038 149 P HA 0.402 nan 4.420 nan 0.000 0.285 149 P C -0.890 176.430 177.300 0.033 0.000 1.259 149 P CA -0.104 62.986 63.100 -0.016 0.000 0.794 149 P CB 1.060 32.769 31.700 0.014 0.000 0.940 150 L N 2.067 123.320 121.223 0.050 0.000 2.409 150 L HA 0.523 4.866 4.340 0.005 0.000 0.262 150 L C 0.258 177.184 176.870 0.094 0.000 0.992 150 L CA -0.900 54.021 54.840 0.134 0.000 0.817 150 L CB 2.666 44.879 42.059 0.258 0.000 1.350 150 L HN 0.222 nan 8.230 nan 0.000 0.411 151 K N 1.358 121.850 120.400 0.154 0.000 2.207 151 K HA 0.580 4.903 4.320 0.005 0.000 0.255 151 K C -1.604 175.205 176.600 0.349 0.000 0.941 151 K CA -0.722 55.620 56.287 0.093 0.000 0.825 151 K CB 2.182 34.724 32.500 0.069 0.000 1.119 151 K HN 0.274 nan 8.250 nan 0.000 0.430 152 W N 0.974 122.274 121.300 0.001 0.000 2.820 152 W HA 0.591 5.253 4.660 0.005 0.000 0.350 152 W C -0.670 175.838 176.519 -0.019 0.000 1.116 152 W CA -1.019 56.307 57.345 -0.031 0.000 1.146 152 W CB 0.891 30.287 29.460 -0.108 0.000 1.433 152 W HN 0.157 nan 8.180 nan 0.000 0.561 153 V N 1.811 121.850 119.914 0.208 0.000 2.623 153 V HA 0.503 4.626 4.120 0.005 0.000 0.304 153 V C -0.856 175.219 176.094 -0.032 0.000 1.054 153 V CA -0.526 61.816 62.300 0.069 0.000 0.882 153 V CB 1.766 33.590 31.823 0.002 0.000 1.002 153 V HN 0.515 nan 8.190 nan 0.000 0.424 154 S N 7.399 123.045 115.700 -0.091 0.000 2.422 154 S HA 0.609 5.082 4.470 0.005 0.000 0.308 154 S C -0.561 173.952 174.600 -0.146 0.000 1.097 154 S CA -0.493 57.626 58.200 -0.134 0.000 1.099 154 S CB 0.512 63.626 63.200 -0.144 0.000 0.976 154 S HN 0.778 nan 8.310 nan 0.000 0.471 155 I N 4.022 124.536 120.570 -0.094 0.000 2.460 155 I HA 0.595 4.768 4.170 0.005 0.000 0.298 155 I C -1.194 174.897 176.117 -0.044 0.000 0.989 155 I CA -0.524 60.727 61.300 -0.081 0.000 1.173 155 I CB 1.651 39.645 38.000 -0.009 0.000 1.338 155 I HN 0.674 nan 8.210 nan 0.000 0.456 156 D N 7.253 127.619 120.400 -0.057 0.000 2.970 156 D HA 0.421 5.064 4.640 0.005 0.000 0.230 156 D C -1.137 175.167 176.300 0.006 0.000 1.276 156 D CA -0.474 53.521 54.000 -0.009 0.000 0.910 156 D CB 1.579 42.346 40.800 -0.054 0.000 1.590 156 D HN 0.504 nan 8.370 nan 0.000 0.551 157 I N -0.281 120.331 120.570 0.069 0.000 2.648 157 I HA 0.745 4.918 4.170 0.005 0.000 0.304 157 I C -0.743 175.481 176.117 0.178 0.000 1.009 157 I CA -0.666 60.673 61.300 0.065 0.000 1.114 157 I CB 1.976 39.953 38.000 -0.039 0.000 1.293 157 I HN 0.096 nan 8.210 nan 0.000 0.449 158 E N 3.540 123.843 120.200 0.172 0.000 2.222 158 E HA 0.532 4.885 4.350 0.005 0.000 0.267 158 E C -0.627 176.082 176.600 0.181 0.000 0.884 158 E CA -0.402 56.151 56.400 0.255 0.000 0.764 158 E CB 2.334 32.222 29.700 0.313 0.000 1.169 158 E HN 0.884 nan 8.360 nan 0.000 0.413 159 T N -1.804 112.827 114.554 0.128 0.000 2.804 159 T HA 0.597 4.950 4.350 0.005 0.000 0.290 159 T C 0.423 174.891 174.700 -0.386 0.000 1.099 159 T CA -0.700 61.285 62.100 -0.191 0.000 1.011 159 T CB 1.179 70.052 68.868 0.007 0.000 1.291 159 T HN 0.357 nan 8.240 nan 0.000 0.523 160 T N -1.210 112.973 114.554 -0.617 0.000 2.732 160 T HA 0.351 4.704 4.350 0.005 0.000 0.287 160 T C 1.312 175.913 174.700 -0.166 0.000 0.993 160 T CA -0.623 61.231 62.100 -0.411 0.000 0.966 160 T CB 0.580 69.245 68.868 -0.339 0.000 1.047 160 T HN 0.756 nan 8.240 nan 0.000 0.527 161 R N -0.611 119.780 120.500 -0.182 0.000 2.127 161 R HA -0.112 4.231 4.340 0.005 0.000 0.238 161 R C 1.640 177.716 176.300 -0.373 0.000 1.134 161 R CA 1.353 57.278 56.100 -0.292 0.000 0.975 161 R CB -0.291 29.750 30.300 -0.432 0.000 0.865 161 R HN 0.678 nan 8.270 nan 0.000 0.447 162 H N -1.855 117.195 119.070 -0.032 0.000 2.517 162 H HA 0.219 4.778 4.556 0.005 0.000 0.282 162 H C 1.081 176.397 175.328 -0.020 0.000 1.023 162 H CA 0.750 56.781 56.048 -0.029 0.000 1.169 162 H CB 1.077 30.812 29.762 -0.044 0.000 1.454 162 H HN 0.512 nan 8.280 nan 0.000 0.556 163 G N 1.141 109.977 108.800 0.060 0.000 2.175 163 G HA2 -0.254 3.709 3.960 0.005 0.000 0.244 163 G HA3 -0.254 3.709 3.960 0.005 0.000 0.244 163 G C 0.160 175.110 174.900 0.083 0.000 0.982 163 G CA -0.126 45.033 45.100 0.098 0.000 0.641 163 G HN 0.429 nan 8.290 nan 0.000 0.527 164 E N 0.333 120.535 120.200 0.004 0.000 2.360 164 E HA 0.426 4.779 4.350 0.005 0.000 0.269 164 E C 0.876 177.420 176.600 -0.093 0.000 1.022 164 E CA -0.505 55.931 56.400 0.059 0.000 0.887 164 E CB 0.778 30.466 29.700 -0.021 0.000 0.990 164 E HN 0.355 nan 8.360 nan 0.000 0.426 165 L N 3.491 124.751 121.223 0.061 0.000 2.490 165 L HA -0.114 4.229 4.340 0.005 0.000 0.274 165 L C 0.422 177.179 176.870 -0.189 0.000 1.201 165 L CA 0.330 55.075 54.840 -0.158 0.000 0.869 165 L CB 0.063 41.981 42.059 -0.235 0.000 1.123 165 L HN 0.694 nan 8.230 nan 0.000 0.484 166 Y N 1.502 121.726 120.300 -0.127 0.000 2.594 166 Y HA 0.171 4.724 4.550 0.005 0.000 0.283 166 Y C 0.814 176.733 175.900 0.032 0.000 1.140 166 Y CA -0.922 57.035 58.100 -0.237 0.000 1.261 166 Y CB 0.442 38.749 38.460 -0.255 0.000 1.358 166 Y HN 0.730 nan 8.280 nan 0.000 0.513 167 C N -0.814 118.620 119.300 0.223 0.000 3.312 167 C HA 0.738 5.201 4.460 0.005 0.000 0.332 167 C C -0.956 174.093 174.990 0.098 0.000 1.340 167 C CA -1.647 57.476 59.018 0.176 0.000 1.265 167 C CB 1.051 28.904 27.740 0.188 0.000 1.563 167 C HN 0.091 nan 8.230 nan 0.000 0.471 168 I N 1.620 122.242 120.570 0.086 0.000 2.499 168 I HA 0.620 4.793 4.170 0.005 0.000 0.288 168 I C 0.462 176.550 176.117 -0.049 0.000 1.048 168 I CA -0.245 61.076 61.300 0.035 0.000 1.062 168 I CB 1.969 40.020 38.000 0.085 0.000 1.238 168 I HN 1.078 nan 8.210 nan 0.000 0.426 169 G N 6.941 115.671 108.800 -0.118 0.000 2.379 169 G HA2 0.776 4.739 3.960 0.005 0.000 0.327 169 G HA3 0.776 4.739 3.960 0.005 0.000 0.327 169 G C -1.031 173.695 174.900 -0.291 0.000 1.145 169 G CA -0.436 44.526 45.100 -0.231 0.000 0.905 169 G HN 0.444 nan 8.290 nan 0.000 0.466 170 L N 1.690 122.658 121.223 -0.425 0.000 2.406 170 L HA 0.530 4.873 4.340 0.005 0.000 0.272 170 L C -0.425 176.169 176.870 -0.460 0.000 0.980 170 L CA -0.707 53.792 54.840 -0.568 0.000 0.831 170 L CB 2.480 43.870 42.059 -1.115 0.000 1.253 170 L HN 0.445 nan 8.230 nan 0.000 0.406 171 E N 2.821 122.828 120.200 -0.321 0.000 2.218 171 E HA 0.724 5.077 4.350 0.005 0.000 0.263 171 E C -0.594 175.952 176.600 -0.088 0.000 0.879 171 E CA -0.260 56.025 56.400 -0.191 0.000 0.762 171 E CB 2.386 31.982 29.700 -0.173 0.000 1.166 171 E HN 0.792 nan 8.360 nan 0.000 0.415 172 G N 1.418 110.210 108.800 -0.013 0.000 2.369 172 G HA2 -0.039 3.924 3.960 0.005 0.000 0.307 172 G HA3 -0.039 3.924 3.960 0.005 0.000 0.307 172 G C -0.227 174.735 174.900 0.102 0.000 1.327 172 G CA -0.305 44.826 45.100 0.053 0.000 0.963 172 G HN 0.741 nan 8.290 nan 0.000 0.590 173 C N -0.323 119.014 119.300 0.060 0.000 4.356 173 C HA 0.157 4.620 4.460 0.005 0.000 0.296 173 C C 2.284 177.248 174.990 -0.042 0.000 1.424 173 C CA 2.123 61.151 59.018 0.016 0.000 2.000 173 C CB -1.709 26.038 27.740 0.012 0.000 1.262 173 C HN 3.049 nan 8.230 nan 0.000 0.789 174 G N -0.595 108.180 108.800 -0.042 0.000 2.159 174 G HA2 -0.081 3.882 3.960 0.005 0.000 0.256 174 G HA3 -0.081 3.882 3.960 0.005 0.000 0.256 174 G C -0.322 174.538 174.900 -0.067 0.000 0.977 174 G CA 1.472 46.543 45.100 -0.049 0.000 0.652 174 G HN 1.626 nan 8.290 nan 0.000 0.531 175 Q N -1.432 118.320 119.800 -0.081 0.000 2.553 175 Q HA 0.859 5.202 4.340 0.005 0.000 0.293 175 Q C -0.571 175.397 176.000 -0.052 0.000 1.038 175 Q CA -1.105 54.650 55.803 -0.079 0.000 0.777 175 Q CB 0.940 29.566 28.738 -0.186 0.000 1.487 175 Q HN 0.327 nan 8.270 nan 0.000 0.426 176 R N 0.534 121.006 120.500 -0.045 0.000 2.514 176 R HA 0.830 5.173 4.340 0.005 0.000 0.296 176 R C -1.147 175.113 176.300 -0.067 0.000 1.012 176 R CA -0.473 55.577 56.100 -0.082 0.000 0.897 176 R CB 1.919 32.193 30.300 -0.043 0.000 1.184 176 R HN 0.786 nan 8.270 nan 0.000 0.440 177 I N 1.636 122.088 120.570 -0.197 0.000 2.918 177 I HA 0.467 4.640 4.170 0.005 0.000 0.301 177 I C -1.576 174.309 176.117 -0.386 0.000 1.312 177 I CA -1.071 60.089 61.300 -0.233 0.000 1.007 177 I CB 2.534 40.343 38.000 -0.320 0.000 1.281 177 I HN 0.334 nan 8.210 nan 0.000 0.440 178 V N 6.158 125.877 119.914 -0.324 0.000 2.577 178 V HA 0.419 4.542 4.120 0.005 0.000 0.303 178 V C -1.393 174.516 176.094 -0.307 0.000 1.042 178 V CA -0.492 61.635 62.300 -0.288 0.000 0.872 178 V CB 1.700 33.457 31.823 -0.111 0.000 0.998 178 V HN 0.463 nan 8.190 nan 0.000 0.423 179 Y N 4.975 125.260 120.300 -0.025 0.000 2.341 179 Y HA 0.708 5.261 4.550 0.005 0.000 0.340 179 Y C 0.183 176.090 175.900 0.012 0.000 0.997 179 Y CA -0.729 57.372 58.100 0.000 0.000 1.149 179 Y CB 1.663 40.140 38.460 0.028 0.000 1.171 179 Y HN 0.645 nan 8.280 nan 0.000 0.494 180 M N 4.563 124.243 119.600 0.133 0.000 2.393 180 M HA 0.475 4.958 4.480 0.005 0.000 0.316 180 M C -1.778 174.696 176.300 0.289 0.000 1.087 180 M CA -1.098 54.287 55.300 0.141 0.000 0.937 180 M CB 1.210 33.742 32.600 -0.114 0.000 1.668 180 M HN 0.568 nan 8.290 nan 0.000 0.438 181 L N 4.946 126.424 121.223 0.424 0.000 2.462 181 L HA 0.580 4.923 4.340 0.005 0.000 0.272 181 L C 0.376 177.534 176.870 0.480 0.000 1.166 181 L CA 0.737 55.852 54.840 0.457 0.000 0.880 181 L CB 0.091 42.476 42.059 0.543 0.000 1.142 181 L HN 0.842 nan 8.230 nan 0.000 0.473 182 G N 5.398 114.409 108.800 0.351 0.000 2.563 182 G HA2 0.461 4.424 3.960 0.005 0.000 0.283 182 G HA3 0.461 4.424 3.960 0.005 0.000 0.283 182 G C -2.536 172.417 174.900 0.089 0.000 1.309 182 G CA -0.836 44.383 45.100 0.198 0.000 1.022 182 G HN 0.686 nan 8.290 nan 0.000 0.501 183 P HA 0.162 nan 4.420 nan 0.000 0.274 183 P C -0.254 176.839 177.300 -0.345 0.000 1.256 183 P CA -0.407 62.598 63.100 -0.157 0.000 0.795 183 P CB 1.036 32.661 31.700 -0.125 0.000 1.038 184 E N 1.357 121.189 120.200 -0.613 0.000 2.398 184 E HA 0.089 4.442 4.350 0.005 0.000 0.263 184 E C -0.354 176.010 176.600 -0.392 0.000 1.046 184 E CA -0.236 55.616 56.400 -0.913 0.000 0.908 184 E CB 0.244 29.359 29.700 -0.976 0.000 0.963 184 E HN 0.553 nan 8.360 nan 0.000 0.431 185 N N 1.801 120.357 118.700 -0.241 0.000 2.927 185 N HA 0.466 5.209 4.740 0.005 0.000 0.248 185 N C -0.177 175.305 175.510 -0.048 0.000 1.443 185 N CA 0.011 52.983 53.050 -0.131 0.000 0.870 185 N CB 0.840 39.243 38.487 -0.141 0.000 1.444 185 N HN 0.775 nan 8.380 nan 0.000 0.519 186 G N 0.200 108.975 108.800 -0.042 0.000 2.598 186 G HA2 -0.066 3.897 3.960 0.005 0.000 0.244 186 G HA3 -0.066 3.897 3.960 0.005 0.000 0.244 186 G C -1.342 173.554 174.900 -0.006 0.000 1.302 186 G CA 0.396 45.487 45.100 -0.015 0.000 0.903 186 G HN 1.140 nan 8.290 nan 0.000 0.575 187 D N -0.461 119.942 120.400 0.005 0.000 2.549 187 D HA 0.715 5.358 4.640 0.005 0.000 0.251 187 D C 0.571 176.872 176.300 0.002 0.000 1.153 187 D CA 0.530 54.530 54.000 0.000 0.000 0.861 187 D CB 1.087 41.882 40.800 -0.009 0.000 1.207 187 D HN 1.076 nan 8.370 nan 0.000 0.543 188 A N 2.728 125.552 122.820 0.006 0.000 2.423 188 A HA 0.184 4.507 4.320 0.005 0.000 0.246 188 A C 1.712 179.258 177.584 -0.064 0.000 1.278 188 A CA -0.100 51.923 52.037 -0.023 0.000 0.903 188 A CB -0.020 18.999 19.000 0.032 0.000 0.997 188 A HN 0.480 nan 8.150 nan 0.000 0.510 189 S N -0.237 115.436 115.700 -0.045 0.000 2.368 189 S HA -0.100 4.373 4.470 0.005 0.000 0.225 189 S C 1.764 176.324 174.600 -0.068 0.000 1.030 189 S CA 1.657 59.828 58.200 -0.048 0.000 0.999 189 S CB -0.094 63.088 63.200 -0.031 0.000 0.844 189 S HN 0.514 nan 8.310 nan 0.000 0.459 190 S N 0.798 116.456 115.700 -0.071 0.000 2.679 190 S HA 0.359 4.832 4.470 0.005 0.000 0.233 190 S C 0.166 174.695 174.600 -0.118 0.000 0.951 190 S CA -0.284 57.872 58.200 -0.072 0.000 0.973 190 S CB -0.429 62.745 63.200 -0.043 0.000 0.778 190 S HN 0.263 nan 8.310 nan 0.000 0.477 191 L N 1.227 122.325 121.223 -0.209 0.000 2.397 191 L HA 0.255 4.598 4.340 0.005 0.000 0.271 191 L C 1.336 178.002 176.870 -0.340 0.000 1.148 191 L CA -0.491 54.106 54.840 -0.404 0.000 0.825 191 L CB 0.522 42.136 42.059 -0.742 0.000 1.117 191 L HN 0.079 nan 8.230 nan 0.000 0.456 192 D N 1.353 121.590 120.400 -0.271 0.000 2.224 192 D HA -0.030 4.613 4.640 0.005 0.000 0.205 192 D C 0.030 176.349 176.300 0.033 0.000 0.965 192 D CA 1.027 55.024 54.000 -0.004 0.000 0.852 192 D CB 0.266 41.212 40.800 0.244 0.000 0.947 192 D HN 0.327 nan 8.370 nan 0.000 0.494 193 F N -1.066 118.858 119.950 -0.043 0.000 2.764 193 F HA 0.612 5.142 4.527 0.005 0.000 0.347 193 F C -0.157 175.608 175.800 -0.059 0.000 1.151 193 F CA -1.602 56.364 58.000 -0.057 0.000 1.021 193 F CB 0.535 39.487 39.000 -0.080 0.000 1.438 193 F HN -0.438 nan 8.300 nan 0.000 0.516 194 E N 1.255 121.530 120.200 0.126 0.000 2.259 194 E HA 0.438 4.791 4.350 0.005 0.000 0.281 194 E C -1.639 175.005 176.600 0.074 0.000 1.037 194 E CA -0.316 56.103 56.400 0.031 0.000 0.854 194 E CB 1.133 30.857 29.700 0.041 0.000 1.051 194 E HN 0.704 nan 8.360 nan 0.000 0.409 195 L N 4.280 125.476 121.223 -0.045 0.000 2.343 195 L HA 0.493 4.836 4.340 0.005 0.000 0.278 195 L C -1.214 175.602 176.870 -0.091 0.000 0.996 195 L CA -0.327 54.468 54.840 -0.074 0.000 0.831 195 L CB 1.579 43.551 42.059 -0.145 0.000 1.232 195 L HN 0.649 nan 8.230 nan 0.000 0.413 196 E N 3.872 124.030 120.200 -0.070 0.000 2.187 196 E HA 0.345 4.698 4.350 0.005 0.000 0.268 196 E C -1.654 174.986 176.600 0.066 0.000 0.896 196 E CA -0.678 55.773 56.400 0.084 0.000 0.766 196 E CB 1.100 30.956 29.700 0.259 0.000 1.142 196 E HN 0.612 nan 8.360 nan 0.000 0.408 197 Y N 2.259 122.649 120.300 0.150 0.000 2.310 197 Y HA 0.328 4.881 4.550 0.005 0.000 0.326 197 Y C 0.353 176.332 175.900 0.131 0.000 1.151 197 Y CA -0.451 57.730 58.100 0.135 0.000 1.195 197 Y CB 1.575 40.083 38.460 0.080 0.000 1.210 197 Y HN 0.338 nan 8.280 nan 0.000 0.483 198 V N -0.399 119.691 119.914 0.294 0.000 3.019 198 V HA 0.819 4.942 4.120 0.005 0.000 0.317 198 V C 0.468 176.660 176.094 0.164 0.000 1.094 198 V CA -0.510 61.900 62.300 0.184 0.000 1.000 198 V CB 1.417 33.314 31.823 0.122 0.000 1.060 198 V HN 0.856 nan 8.190 nan 0.000 0.443 199 A N 1.925 124.806 122.820 0.100 0.000 1.970 199 A HA 0.382 4.705 4.320 0.005 0.000 0.216 199 A C 1.251 178.875 177.584 0.068 0.000 1.170 199 A CA 1.292 53.373 52.037 0.075 0.000 0.645 199 A CB -0.564 18.461 19.000 0.041 0.000 0.816 199 A HN 1.723 nan 8.150 nan 0.000 0.447 200 S N -3.178 112.550 115.700 0.047 0.000 2.671 200 S HA 0.548 5.021 4.470 0.005 0.000 0.277 200 S C 0.317 174.914 174.600 -0.005 0.000 1.165 200 S CA -0.614 57.593 58.200 0.011 0.000 0.822 200 S CB 0.971 64.133 63.200 -0.062 0.000 1.150 200 S HN 0.245 nan 8.310 nan 0.000 0.479 201 R N 0.408 120.879 120.500 -0.049 0.000 2.081 201 R HA 0.037 4.380 4.340 0.005 0.000 0.235 201 R C -1.023 175.222 176.300 -0.091 0.000 1.131 201 R CA 1.635 57.727 56.100 -0.015 0.000 0.960 201 R CB -1.555 28.799 30.300 0.090 0.000 0.856 201 R HN 0.510 nan 8.270 nan 0.000 0.436 202 P HA -0.153 nan 4.420 nan 0.000 0.218 202 P C 0.850 178.110 177.300 -0.066 0.000 1.148 202 P CA 1.306 64.252 63.100 -0.256 0.000 0.822 202 P CB -0.004 31.459 31.700 -0.396 0.000 0.784 203 Q N -1.013 118.747 119.800 -0.066 0.000 2.224 203 Q HA -0.068 4.275 4.340 0.005 0.000 0.203 203 Q C 2.110 178.083 176.000 -0.045 0.000 0.970 203 Q CA 0.952 56.733 55.803 -0.037 0.000 0.865 203 Q CB -0.555 28.174 28.738 -0.016 0.000 0.922 203 Q HN 0.341 nan 8.270 nan 0.000 0.445 204 L N 0.362 121.575 121.223 -0.016 0.000 2.046 204 L HA -0.211 4.132 4.340 0.005 0.000 0.208 204 L C 2.299 179.143 176.870 -0.043 0.000 1.077 204 L CA 1.029 55.855 54.840 -0.024 0.000 0.747 204 L CB -0.461 41.615 42.059 0.029 0.000 0.896 204 L HN 0.249 nan 8.230 nan 0.000 0.432 205 L N -0.623 120.601 121.223 0.001 0.000 2.093 205 L HA -0.188 4.155 4.340 0.005 0.000 0.208 205 L C 2.490 179.358 176.870 -0.003 0.000 1.085 205 L CA 1.300 56.149 54.840 0.014 0.000 0.755 205 L CB -0.608 41.496 42.059 0.076 0.000 0.904 205 L HN 0.323 nan 8.230 nan 0.000 0.435 206 E N 0.001 120.193 120.200 -0.015 0.000 2.106 206 E HA -0.178 4.175 4.350 0.005 0.000 0.192 206 E C 2.167 178.737 176.600 -0.050 0.000 0.984 206 E CA 0.736 57.125 56.400 -0.019 0.000 0.806 206 E CB 0.080 29.768 29.700 -0.020 0.000 0.750 206 E HN 0.277 nan 8.360 nan 0.000 0.458 207 K N 0.769 121.077 120.400 -0.153 0.000 2.057 207 K HA -0.107 4.216 4.320 0.005 0.000 0.206 207 K C 2.186 178.698 176.600 -0.148 0.000 1.050 207 K CA 0.505 56.591 56.287 -0.334 0.000 0.935 207 K CB -0.523 31.421 32.500 -0.928 0.000 0.715 207 K HN 0.098 nan 8.250 nan 0.000 0.439 208 L N 2.200 123.396 121.223 -0.045 0.000 2.042 208 L HA -0.177 4.166 4.340 0.005 0.000 0.210 208 L C 1.564 178.612 176.870 0.297 0.000 1.076 208 L CA 1.779 56.735 54.840 0.193 0.000 0.749 208 L CB -0.735 41.380 42.059 0.094 0.000 0.893 208 L HN 0.122 nan 8.230 nan 0.000 0.432 209 N N 0.069 118.850 118.700 0.136 0.000 2.120 209 N HA -0.131 4.612 4.740 0.005 0.000 0.188 209 N C 1.828 177.458 175.510 0.200 0.000 1.024 209 N CA 1.603 54.734 53.050 0.134 0.000 0.852 209 N CB -0.526 37.993 38.487 0.052 0.000 1.003 209 N HN 0.530 nan 8.380 nan 0.000 0.424 210 A N -0.346 122.570 122.820 0.160 0.000 1.930 210 A HA -0.137 4.186 4.320 0.005 0.000 0.217 210 A C 2.199 179.912 177.584 0.214 0.000 1.175 210 A CA 1.104 53.222 52.037 0.136 0.000 0.627 210 A CB -1.113 17.936 19.000 0.082 0.000 0.815 210 A HN 0.504 nan 8.150 nan 0.000 0.443 211 W N -0.446 120.986 121.300 0.220 0.000 2.355 211 W HA -0.188 4.475 4.660 0.005 0.000 0.309 211 W C 1.836 178.520 176.519 0.274 0.000 1.206 211 W CA 2.004 59.556 57.345 0.345 0.000 1.284 211 W CB -0.399 29.334 29.460 0.455 0.000 1.145 211 W HN 0.321 nan 8.180 nan 0.000 0.502 212 F N 0.129 120.337 119.950 0.429 0.000 2.171 212 F HA -0.178 4.352 4.527 0.005 0.000 0.300 212 F C 2.539 178.354 175.800 0.024 0.000 1.090 212 F CA 1.763 59.920 58.000 0.261 0.000 1.293 212 F CB -1.021 38.123 39.000 0.241 0.000 1.013 212 F HN -0.045 nan 8.300 nan 0.000 0.486 213 A N 0.212 123.131 122.820 0.164 0.000 1.877 213 A HA -0.200 4.123 4.320 0.005 0.000 0.216 213 A C 2.016 179.526 177.584 -0.124 0.000 1.186 213 A CA 2.035 54.087 52.037 0.024 0.000 0.620 213 A CB -0.714 18.299 19.000 0.021 0.000 0.822 213 A HN 0.327 nan 8.150 nan 0.000 0.443 214 N N -1.382 117.163 118.700 -0.259 0.000 2.171 214 N HA -0.074 4.669 4.740 0.005 0.000 0.184 214 N C 1.388 176.430 175.510 -0.780 0.000 1.021 214 N CA 1.514 54.244 53.050 -0.534 0.000 0.854 214 N CB -0.479 37.577 38.487 -0.717 0.000 0.994 214 N HN 0.610 nan 8.380 nan 0.000 0.426 215 Y N 0.494 120.445 120.300 -0.582 0.000 2.490 215 Y HA 0.074 4.627 4.550 0.005 0.000 0.285 215 Y C 0.215 175.852 175.900 -0.438 0.000 1.117 215 Y CA -0.138 57.544 58.100 -0.696 0.000 1.262 215 Y CB -0.125 37.453 38.460 -1.470 0.000 1.043 215 Y HN -0.032 nan 8.280 nan 0.000 0.553 216 D N 0.587 120.840 120.400 -0.245 0.000 2.803 216 D HA -0.140 4.503 4.640 0.005 0.000 0.233 216 D C -2.686 173.592 176.300 -0.036 0.000 1.182 216 D CA -0.035 53.913 54.000 -0.086 0.000 0.726 216 D CB -0.207 40.564 40.800 -0.048 0.000 0.987 216 D HN 0.163 nan 8.370 nan 0.000 0.412 217 P HA 0.138 nan 4.420 nan 0.000 0.274 217 P C 0.345 177.713 177.300 0.113 0.000 1.231 217 P CA -0.234 62.894 63.100 0.046 0.000 0.790 217 P CB 0.874 32.603 31.700 0.047 0.000 0.951 218 D N 0.105 120.597 120.400 0.154 0.000 2.240 218 D HA 0.052 4.695 4.640 0.005 0.000 0.206 218 D C 0.337 176.732 176.300 0.158 0.000 0.963 218 D CA 1.145 55.245 54.000 0.168 0.000 0.863 218 D CB 0.477 41.391 40.800 0.190 0.000 0.973 218 D HN 0.139 nan 8.370 nan 0.000 0.501 219 V N 1.639 121.653 119.914 0.166 0.000 2.709 219 V HA 0.373 4.496 4.120 0.005 0.000 0.308 219 V C -0.236 175.884 176.094 0.042 0.000 1.062 219 V CA -0.758 61.578 62.300 0.060 0.000 0.901 219 V CB 2.790 34.548 31.823 -0.109 0.000 1.003 219 V HN -0.110 nan 8.190 nan 0.000 0.425 220 I N 5.874 126.459 120.570 0.025 0.000 2.330 220 I HA 0.569 4.742 4.170 0.005 0.000 0.289 220 I C -0.263 175.807 176.117 -0.078 0.000 1.001 220 I CA -0.408 60.918 61.300 0.044 0.000 1.193 220 I CB 1.342 39.424 38.000 0.137 0.000 1.345 220 I HN 0.637 nan 8.210 nan 0.000 0.461 221 I N 2.758 123.226 120.570 -0.169 0.000 2.846 221 I HA 1.064 5.237 4.170 0.005 0.000 0.307 221 I C -0.064 175.972 176.117 -0.134 0.000 1.053 221 I CA -0.440 60.695 61.300 -0.275 0.000 1.050 221 I CB 2.338 39.818 38.000 -0.867 0.000 1.239 221 I HN 0.617 nan 8.210 nan 0.000 0.439 222 G N 2.355 111.150 108.800 -0.007 0.000 2.430 222 G HA2 0.231 4.194 3.960 0.005 0.000 0.300 222 G HA3 0.231 4.194 3.960 0.005 0.000 0.300 222 G C -2.689 172.402 174.900 0.318 0.000 1.330 222 G CA -0.699 44.474 45.100 0.121 0.000 0.813 222 G HN 0.768 nan 8.290 nan 0.000 0.487 223 W N 1.649 122.974 121.300 0.042 0.000 2.318 223 W HA 0.407 5.069 4.660 0.005 0.000 0.315 223 W C 0.610 177.180 176.519 0.085 0.000 1.033 223 W CA -0.227 57.157 57.345 0.065 0.000 1.275 223 W CB 1.297 30.778 29.460 0.034 0.000 1.250 223 W HN 0.771 nan 8.180 nan 0.000 0.421 224 N N 3.361 122.043 118.700 -0.030 0.000 2.754 224 N HA -0.230 4.513 4.740 0.005 0.000 0.248 224 N C 0.593 176.181 175.510 0.129 0.000 1.093 224 N CA 1.053 54.113 53.050 0.017 0.000 0.699 224 N CB -1.110 37.413 38.487 0.061 0.000 1.016 224 N HN 0.311 nan 8.380 nan 0.000 0.552 225 V N -0.807 119.168 119.914 0.102 0.000 2.469 225 V HA -0.229 3.894 4.120 0.005 0.000 0.251 225 V C 1.847 177.987 176.094 0.078 0.000 1.064 225 V CA 2.335 64.696 62.300 0.101 0.000 1.066 225 V CB -0.007 31.856 31.823 0.066 0.000 0.667 225 V HN 0.365 nan 8.190 nan 0.000 0.461 226 V N -0.864 119.086 119.914 0.060 0.000 2.300 226 V HA -0.114 4.009 4.120 0.005 0.000 0.241 226 V C 2.473 178.657 176.094 0.151 0.000 1.034 226 V CA 1.454 63.800 62.300 0.077 0.000 1.021 226 V CB -0.828 31.005 31.823 0.018 0.000 0.662 226 V HN 0.410 nan 8.190 nan 0.000 0.458 227 Q N -0.806 119.048 119.800 0.091 0.000 2.181 227 Q HA -0.149 4.194 4.340 0.005 0.000 0.205 227 Q C 1.817 177.912 176.000 0.159 0.000 0.980 227 Q CA 1.885 57.739 55.803 0.085 0.000 0.862 227 Q CB -0.400 28.358 28.738 0.034 0.000 0.905 227 Q HN 0.677 nan 8.270 nan 0.000 0.429 228 F N 0.473 120.443 119.950 0.033 0.000 2.478 228 F HA 0.061 4.591 4.527 0.005 0.000 0.260 228 F C 1.268 177.100 175.800 0.053 0.000 0.974 228 F CA 0.621 58.642 58.000 0.035 0.000 1.075 228 F CB -0.379 38.644 39.000 0.038 0.000 1.165 228 F HN -0.048 nan 8.300 nan 0.000 0.692 229 D N 1.220 121.488 120.400 -0.220 0.000 2.103 229 D HA -0.239 4.404 4.640 0.005 0.000 0.190 229 D C 2.326 178.522 176.300 -0.173 0.000 0.997 229 D CA 2.372 56.201 54.000 -0.286 0.000 0.833 229 D CB -0.578 40.203 40.800 -0.032 0.000 0.961 229 D HN 0.265 nan 8.370 nan 0.000 0.447 230 L N -0.037 121.183 121.223 -0.006 0.000 2.141 230 L HA -0.094 4.249 4.340 0.005 0.000 0.209 230 L C 2.552 179.597 176.870 0.291 0.000 1.094 230 L CA 0.819 55.730 54.840 0.118 0.000 0.763 230 L CB -0.328 41.790 42.059 0.098 0.000 0.908 230 L HN 0.034 nan 8.230 nan 0.000 0.437 231 R N -0.108 120.508 120.500 0.194 0.000 2.066 231 R HA -0.150 4.193 4.340 0.005 0.000 0.232 231 R C 2.399 178.609 176.300 -0.151 0.000 1.131 231 R CA 1.261 57.316 56.100 -0.076 0.000 0.955 231 R CB 0.006 30.214 30.300 -0.154 0.000 0.851 231 R HN 0.160 nan 8.270 nan 0.000 0.432 232 M N 0.731 120.214 119.600 -0.196 0.000 2.117 232 M HA -0.135 4.348 4.480 0.005 0.000 0.262 232 M C 2.303 178.601 176.300 -0.003 0.000 1.065 232 M CA 1.421 56.629 55.300 -0.153 0.000 1.114 232 M CB -0.917 31.465 32.600 -0.363 0.000 1.361 232 M HN 0.221 nan 8.290 nan 0.000 0.408 233 L N -0.396 120.773 121.223 -0.091 0.000 2.083 233 L HA -0.250 4.093 4.340 0.005 0.000 0.209 233 L C 2.653 179.534 176.870 0.019 0.000 1.083 233 L CA 1.222 56.024 54.840 -0.062 0.000 0.752 233 L CB -0.656 41.357 42.059 -0.076 0.000 0.899 233 L HN 0.293 nan 8.230 nan 0.000 0.433 234 Q N 0.260 120.077 119.800 0.029 0.000 2.084 234 Q HA -0.199 4.144 4.340 0.005 0.000 0.202 234 Q C 2.150 178.089 176.000 -0.102 0.000 0.978 234 Q CA 1.578 57.384 55.803 0.006 0.000 0.844 234 Q CB 0.041 28.763 28.738 -0.026 0.000 0.898 234 Q HN 0.117 nan 8.270 nan 0.000 0.426 235 K N -0.456 119.861 120.400 -0.138 0.000 2.057 235 K HA -0.157 4.165 4.320 0.005 0.000 0.207 235 K C 2.078 178.516 176.600 -0.270 0.000 1.049 235 K CA 1.699 57.860 56.287 -0.209 0.000 0.931 235 K CB -0.583 31.785 32.500 -0.220 0.000 0.714 235 K HN 0.461 nan 8.250 nan 0.000 0.440 236 H N 0.383 119.281 119.070 -0.286 0.000 2.321 236 H HA -0.020 4.539 4.556 0.005 0.000 0.300 236 H C 1.927 176.975 175.328 -0.467 0.000 1.087 236 H CA 1.768 57.544 56.048 -0.454 0.000 1.319 236 H CB -0.227 29.419 29.762 -0.192 0.000 1.379 236 H HN 0.276 nan 8.280 nan 0.000 0.501 237 A N 0.877 123.661 122.820 -0.059 0.000 1.933 237 A HA -0.220 4.103 4.320 0.005 0.000 0.218 237 A C 2.108 179.648 177.584 -0.074 0.000 1.175 237 A CA 1.922 53.951 52.037 -0.013 0.000 0.628 237 A CB -0.346 18.665 19.000 0.019 0.000 0.814 237 A HN 0.523 nan 8.150 nan 0.000 0.444 238 E N -0.907 119.214 120.200 -0.133 0.000 2.072 238 E HA -0.181 4.172 4.350 0.005 0.000 0.191 238 E C 2.308 178.809 176.600 -0.164 0.000 0.985 238 E CA 1.077 57.400 56.400 -0.129 0.000 0.801 238 E CB -0.180 29.432 29.700 -0.147 0.000 0.750 238 E HN 0.625 nan 8.360 nan 0.000 0.452 239 R N 0.293 120.609 120.500 -0.307 0.000 2.081 239 R HA -0.158 4.185 4.340 0.005 0.000 0.235 239 R C 1.232 177.418 176.300 -0.190 0.000 1.131 239 R CA 1.386 57.276 56.100 -0.350 0.000 0.960 239 R CB -0.055 29.871 30.300 -0.624 0.000 0.856 239 R HN 0.211 nan 8.270 nan 0.000 0.436 240 Y N 0.618 120.905 120.300 -0.021 0.000 2.461 240 Y HA 0.275 4.828 4.550 0.005 0.000 0.277 240 Y C 0.169 176.066 175.900 -0.005 0.000 1.182 240 Y CA -0.474 57.623 58.100 -0.006 0.000 1.276 240 Y CB 0.214 38.682 38.460 0.015 0.000 1.087 240 Y HN -0.035 nan 8.280 nan 0.000 0.519 241 R N 0.081 120.629 120.500 0.081 0.000 3.333 241 R HA -0.179 4.164 4.340 0.005 0.000 0.256 241 R C -1.067 175.269 176.300 0.060 0.000 1.010 241 R CA 0.291 56.420 56.100 0.048 0.000 0.680 241 R CB -2.726 27.598 30.300 0.040 0.000 1.102 241 R HN 0.405 nan 8.270 nan 0.000 0.440 242 L N 1.005 122.271 121.223 0.072 0.000 2.341 242 L HA 0.597 4.940 4.340 0.005 0.000 0.267 242 L C -1.712 175.182 176.870 0.040 0.000 1.009 242 L CA -2.166 52.712 54.840 0.065 0.000 0.819 242 L CB 2.267 44.385 42.059 0.098 0.000 1.323 242 L HN -0.123 nan 8.230 nan 0.000 0.425 243 P HA 0.096 nan 4.420 nan 0.000 0.282 243 P C -0.878 176.427 177.300 0.008 0.000 1.262 243 P CA -0.475 62.633 63.100 0.013 0.000 0.773 243 P CB 1.588 33.292 31.700 0.006 0.000 0.879 244 L N 5.415 126.640 121.223 0.003 0.000 2.358 244 L HA 0.241 4.584 4.340 0.005 0.000 0.274 244 L C 0.563 177.396 176.870 -0.061 0.000 1.136 244 L CA -0.216 54.612 54.840 -0.021 0.000 0.970 244 L CB -0.494 41.567 42.059 0.004 0.000 1.314 244 L HN 0.203 nan 8.230 nan 0.000 0.427 245 R N 5.657 126.116 120.500 -0.068 0.000 3.710 245 R HA 0.192 4.535 4.340 0.005 0.000 0.201 245 R C 0.389 176.599 176.300 -0.150 0.000 1.641 245 R CA -0.068 55.984 56.100 -0.080 0.000 1.390 245 R CB -0.032 30.249 30.300 -0.032 0.000 1.341 245 R HN 0.685 nan 8.270 nan 0.000 0.728 246 L N -0.009 121.071 121.223 -0.239 0.000 2.607 246 L HA 0.203 4.546 4.340 0.005 0.000 0.228 246 L C 1.187 177.955 176.870 -0.170 0.000 1.123 246 L CA -0.175 54.418 54.840 -0.411 0.000 0.890 246 L CB 0.306 42.036 42.059 -0.549 0.000 1.103 246 L HN 0.415 nan 8.230 nan 0.000 0.468 247 G N -0.104 108.614 108.800 -0.136 0.000 2.461 247 G HA2 0.498 4.461 3.960 0.005 0.000 0.329 247 G HA3 0.498 4.461 3.960 0.005 0.000 0.329 247 G C -0.261 174.529 174.900 -0.182 0.000 1.170 247 G CA -0.595 44.412 45.100 -0.155 0.000 0.935 247 G HN 0.010 nan 8.290 nan 0.000 0.492 248 R N -0.596 119.694 120.500 -0.350 0.000 2.801 248 R HA 0.199 4.542 4.340 0.005 0.000 0.273 248 R C 0.219 176.264 176.300 -0.425 0.000 1.080 248 R CA 0.287 56.119 56.100 -0.446 0.000 1.197 248 R CB 0.213 30.030 30.300 -0.806 0.000 1.109 248 R HN 0.658 nan 8.270 nan 0.000 0.535 249 D N 0.453 120.724 120.400 -0.215 0.000 2.837 249 D HA -0.219 4.424 4.640 0.005 0.000 0.230 249 D C -0.665 175.614 176.300 -0.035 0.000 1.152 249 D CA 1.076 55.072 54.000 -0.007 0.000 0.736 249 D CB -1.267 39.602 40.800 0.115 0.000 1.084 249 D HN 0.763 nan 8.370 nan 0.000 0.429 250 N N -1.315 117.357 118.700 -0.046 0.000 2.708 250 N HA -0.245 4.498 4.740 0.005 0.000 0.249 250 N C -0.747 174.733 175.510 -0.049 0.000 1.097 250 N CA 1.256 54.289 53.050 -0.028 0.000 0.710 250 N CB -0.870 37.615 38.487 -0.003 0.000 1.032 250 N HN 0.613 nan 8.380 nan 0.000 0.551 251 S N -1.284 114.360 115.700 -0.093 0.000 2.601 251 S HA 0.396 4.868 4.470 0.005 0.000 0.271 251 S C 0.273 174.819 174.600 -0.090 0.000 1.305 251 S CA -0.786 57.355 58.200 -0.098 0.000 1.022 251 S CB 1.765 64.874 63.200 -0.151 0.000 0.940 251 S HN 0.224 nan 8.310 nan 0.000 0.525 252 E N 0.124 120.283 120.200 -0.069 0.000 2.374 252 E HA 0.280 4.633 4.350 0.005 0.000 0.260 252 E C -0.490 176.065 176.600 -0.076 0.000 1.101 252 E CA -0.765 55.602 56.400 -0.055 0.000 0.907 252 E CB 0.513 30.200 29.700 -0.022 0.000 1.014 252 E HN 0.511 nan 8.360 nan 0.000 0.427 253 L N 2.316 123.496 121.223 -0.073 0.000 2.380 253 L HA 0.072 4.415 4.340 0.005 0.000 0.273 253 L C -0.242 176.573 176.870 -0.093 0.000 1.138 253 L CA 0.360 55.120 54.840 -0.133 0.000 0.832 253 L CB 0.418 42.384 42.059 -0.155 0.000 1.124 253 L HN 0.364 nan 8.230 nan 0.000 0.454 254 E N 3.588 123.683 120.200 -0.175 0.000 2.222 254 E HA 0.323 4.675 4.350 0.005 0.000 0.272 254 E C -1.406 175.064 176.600 -0.217 0.000 0.982 254 E CA -0.221 56.130 56.400 -0.081 0.000 0.842 254 E CB 1.257 30.920 29.700 -0.061 0.000 1.144 254 E HN 0.588 nan 8.360 nan 0.000 0.397 255 W N 0.425 121.719 121.300 -0.009 0.000 2.975 255 W HA 0.463 5.126 4.660 0.005 0.000 0.342 255 W C 0.390 176.932 176.519 0.040 0.000 1.168 255 W CA -0.556 56.797 57.345 0.014 0.000 1.141 255 W CB 1.284 30.739 29.460 -0.008 0.000 1.445 255 W HN 0.162 nan 8.180 nan 0.000 0.560 267 A N 2.393 125.045 122.820 -0.281 0.000 2.340 267 A HA 0.851 5.174 4.320 0.005 0.000 0.331 267 A C -1.193 176.166 177.584 -0.375 0.000 1.140 267 A CA -0.717 50.864 52.037 -0.760 0.000 0.801 267 A CB 1.971 20.124 19.000 -1.410 0.000 1.234 267 A HN 0.760 nan 8.150 nan 0.000 0.469 268 Q N 1.048 120.636 119.800 -0.355 0.000 2.304 268 Q HA 0.640 4.983 4.340 0.005 0.000 0.270 268 Q C -1.108 174.779 176.000 -0.188 0.000 1.035 268 Q CA -0.641 55.047 55.803 -0.193 0.000 0.781 268 Q CB 1.858 30.529 28.738 -0.111 0.000 1.261 268 Q HN 1.046 nan 8.270 nan 0.000 0.444 269 A N 4.301 127.040 122.820 -0.136 0.000 2.273 269 A HA 0.363 4.686 4.320 0.005 0.000 0.315 269 A C -0.656 176.878 177.584 -0.084 0.000 1.256 269 A CA -0.677 51.286 52.037 -0.124 0.000 0.851 269 A CB 0.758 19.697 19.000 -0.102 0.000 1.172 269 A HN 0.792 nan 8.150 nan 0.000 0.508 270 K N 2.286 122.611 120.400 -0.125 0.000 2.453 270 K HA 0.266 4.589 4.320 0.005 0.000 0.280 270 K C 1.117 177.452 176.600 -0.441 0.000 1.045 270 K CA 1.305 57.466 56.287 -0.210 0.000 1.059 270 K CB -0.121 32.107 32.500 -0.453 0.000 0.901 270 K HN 1.757 nan 8.250 nan 0.000 0.475 271 G N 3.649 112.289 108.800 -0.266 0.000 2.148 271 G HA2 -0.289 3.674 3.960 0.005 0.000 0.254 271 G HA3 -0.289 3.674 3.960 0.005 0.000 0.254 271 G C -0.288 174.635 174.900 0.039 0.000 0.981 271 G CA 0.441 45.465 45.100 -0.125 0.000 0.670 271 G HN 0.668 nan 8.290 nan 0.000 0.528 272 R N -1.128 119.394 120.500 0.038 0.000 2.771 272 R HA 0.700 5.043 4.340 0.005 0.000 0.274 272 R C -0.412 175.933 176.300 0.075 0.000 0.987 272 R CA -1.017 55.132 56.100 0.082 0.000 0.908 272 R CB 1.456 31.810 30.300 0.090 0.000 1.213 272 R HN 0.123 nan 8.270 nan 0.000 0.468 273 L N 2.663 123.934 121.223 0.080 0.000 2.325 273 L HA 0.555 4.898 4.340 0.005 0.000 0.279 273 L C -0.268 176.616 176.870 0.022 0.000 1.054 273 L CA -0.686 54.184 54.840 0.051 0.000 0.804 273 L CB 1.275 43.367 42.059 0.054 0.000 1.200 273 L HN 0.422 nan 8.230 nan 0.000 0.436 274 I N 4.458 125.031 120.570 0.005 0.000 2.382 274 I HA 0.334 4.506 4.170 0.005 0.000 0.285 274 I C -0.690 175.430 176.117 0.004 0.000 1.007 274 I CA -0.381 60.914 61.300 -0.009 0.000 1.142 274 I CB 1.587 39.561 38.000 -0.044 0.000 1.289 274 I HN 0.327 nan 8.210 nan 0.000 0.453 275 I N 4.963 125.539 120.570 0.011 0.000 2.411 275 I HA 0.220 4.393 4.170 0.005 0.000 0.284 275 I C -0.296 175.885 176.117 0.107 0.000 1.012 275 I CA -0.519 60.818 61.300 0.062 0.000 1.119 275 I CB 1.337 39.407 38.000 0.117 0.000 1.261 275 I HN 0.503 nan 8.210 nan 0.000 0.448 276 D N 4.275 124.709 120.400 0.057 0.000 2.312 276 D HA 0.291 4.934 4.640 0.005 0.000 0.252 276 D C 1.398 177.694 176.300 -0.006 0.000 1.150 276 D CA -0.006 54.004 54.000 0.017 0.000 0.870 276 D CB 1.835 42.604 40.800 -0.052 0.000 1.153 276 D HN 0.690 nan 8.370 nan 0.000 0.457 277 G N 3.585 112.409 108.800 0.040 0.000 2.422 277 G HA2 -0.201 3.762 3.960 0.005 0.000 0.218 277 G HA3 -0.201 3.762 3.960 0.005 0.000 0.218 277 G C 1.598 176.204 174.900 -0.490 0.000 1.146 277 G CA 0.525 45.600 45.100 -0.043 0.000 0.769 277 G HN 0.644 nan 8.290 nan 0.000 0.547 278 I N 0.616 120.657 120.570 -0.881 0.000 2.113 278 I HA -0.183 3.990 4.170 0.005 0.000 0.238 278 I C 2.712 178.601 176.117 -0.380 0.000 1.070 278 I CA 1.805 62.685 61.300 -0.700 0.000 1.332 278 I CB -0.342 37.218 38.000 -0.733 0.000 1.044 278 I HN 0.339 nan 8.210 nan 0.000 0.402 279 E N 1.564 121.598 120.200 -0.278 0.000 2.110 279 E HA -0.249 4.104 4.350 0.005 0.000 0.193 279 E C 2.189 178.738 176.600 -0.084 0.000 0.988 279 E CA 1.415 57.732 56.400 -0.138 0.000 0.804 279 E CB -0.048 29.633 29.700 -0.032 0.000 0.745 279 E HN 0.477 nan 8.360 nan 0.000 0.458 280 A N 0.841 123.604 122.820 -0.095 0.000 1.873 280 A HA -0.128 4.195 4.320 0.005 0.000 0.215 280 A C 2.117 179.682 177.584 -0.032 0.000 1.186 280 A CA 1.096 53.095 52.037 -0.064 0.000 0.616 280 A CB -0.560 18.366 19.000 -0.123 0.000 0.823 280 A HN 0.324 nan 8.150 nan 0.000 0.442 281 L N -0.130 121.071 121.223 -0.036 0.000 2.046 281 L HA -0.120 4.223 4.340 0.005 0.000 0.208 281 L C 2.347 179.379 176.870 0.270 0.000 1.077 281 L CA 1.922 56.850 54.840 0.146 0.000 0.747 281 L CB -0.636 41.584 42.059 0.268 0.000 0.896 281 L HN 0.350 nan 8.230 nan 0.000 0.432 282 K N -0.907 119.521 120.400 0.047 0.000 2.057 282 K HA -0.131 4.192 4.320 0.005 0.000 0.207 282 K C 2.084 178.603 176.600 -0.135 0.000 1.049 282 K CA 1.526 57.773 56.287 -0.067 0.000 0.931 282 K CB -0.229 32.087 32.500 -0.306 0.000 0.714 282 K HN 0.432 nan 8.250 nan 0.000 0.440 283 S N -0.004 115.601 115.700 -0.160 0.000 2.547 283 S HA -0.003 4.470 4.470 0.005 0.000 0.235 283 S C 1.547 175.820 174.600 -0.545 0.000 0.980 283 S CA 0.751 58.774 58.200 -0.296 0.000 0.941 283 S CB 0.164 63.274 63.200 -0.150 0.000 0.763 283 S HN 0.253 nan 8.310 nan 0.000 0.532 284 A N -0.211 122.358 122.820 -0.417 0.000 2.430 284 A HA 0.624 4.947 4.320 0.005 0.000 0.243 284 A C 0.467 177.699 177.584 -0.588 0.000 1.254 284 A CA -0.430 51.254 52.037 -0.588 0.000 0.914 284 A CB -0.584 18.236 19.000 -0.300 0.000 0.998 284 A HN 0.576 nan 8.150 nan 0.000 0.515 285 F N -4.307 115.652 119.950 0.015 0.000 2.965 285 F HA -0.203 4.327 4.527 0.005 0.000 0.287 285 F C 0.064 175.806 175.800 -0.097 0.000 0.790 285 F CA -0.317 57.653 58.000 -0.050 0.000 1.279 285 F CB -2.794 36.119 39.000 -0.145 0.000 1.409 285 F HN 0.423 nan 8.300 nan 0.000 0.446 286 W N 0.813 122.170 121.300 0.095 0.000 2.170 286 W HA 0.515 5.179 4.660 0.006 0.000 0.336 286 W C 0.582 177.090 176.519 -0.019 0.000 1.283 286 W CA 0.677 58.013 57.345 -0.016 0.000 1.224 286 W CB 0.292 29.836 29.460 0.140 0.000 1.132 286 W HN 0.331 nan 8.180 nan 0.000 0.571 287 N N 2.551 121.116 118.700 -0.224 0.000 2.295 287 N HA 0.777 5.520 4.740 0.005 0.000 0.293 287 N C -1.648 173.482 175.510 -0.632 0.000 1.040 287 N CA -0.693 52.256 53.050 -0.167 0.000 0.840 287 N CB 1.322 nan 38.487 nan 0.000 1.468 287 N HN 0.315 nan 8.380 nan 0.000 0.478 288 F N -0.190 119.752 119.950 -0.014 0.000 2.650 288 F HA 0.608 5.139 4.527 0.005 0.000 0.320 288 F C 1.885 177.677 175.800 -0.015 0.000 1.091 288 F CA -0.561 57.383 58.000 -0.093 0.000 0.962 288 F CB 1.968 40.772 39.000 -0.326 0.000 1.363 288 F HN 0.479 nan 8.300 nan 0.000 0.482 289 S N 0.506 116.335 115.700 0.214 0.000 2.368 289 S HA -0.110 4.363 4.470 0.005 0.000 0.226 289 S C 0.551 175.268 174.600 0.196 0.000 1.044 289 S CA 1.860 60.164 58.200 0.174 0.000 1.062 289 S CB -0.333 62.952 63.200 0.142 0.000 0.931 289 S HN 0.762 nan 8.310 nan 0.000 0.440 290 S N -1.902 113.899 115.700 0.169 0.000 2.638 290 S HA 0.628 5.101 4.470 0.005 0.000 0.274 290 S C -0.495 174.188 174.600 0.139 0.000 1.157 290 S CA -0.753 57.576 58.200 0.214 0.000 0.826 290 S CB 0.658 63.966 63.200 0.179 0.000 1.139 290 S HN 0.178 nan 8.310 nan 0.000 0.474 291 F N 2.189 122.275 119.950 0.228 0.000 2.645 291 F HA 0.300 4.830 4.527 0.005 0.000 0.300 291 F C 1.530 177.564 175.800 0.389 0.000 1.115 291 F CA -0.085 58.079 58.000 0.273 0.000 1.355 291 F CB 0.278 39.383 39.000 0.174 0.000 1.026 291 F HN 0.724 nan 8.300 nan 0.000 0.536 292 S N 0.038 115.950 115.700 0.353 0.000 2.572 292 S HA 0.033 4.506 4.470 0.005 0.000 0.279 292 S C 1.279 176.004 174.600 0.208 0.000 1.341 292 S CA -0.686 57.703 58.200 0.316 0.000 1.043 292 S CB 1.145 64.427 63.200 0.137 0.000 0.887 292 S HN 0.314 nan 8.310 nan 0.000 0.516 293 L N 2.483 123.705 121.223 -0.002 0.000 2.042 293 L HA 0.007 4.350 4.340 0.005 0.000 0.210 293 L C 2.901 179.507 176.870 -0.440 0.000 1.076 293 L CA 2.783 57.218 54.840 -0.676 0.000 0.749 293 L CB -1.640 39.910 42.059 -0.849 0.000 0.893 293 L HN 1.015 nan 8.230 nan 0.000 0.432 294 E N -1.614 118.449 120.200 -0.228 0.000 2.150 294 E HA -0.179 4.174 4.350 0.005 0.000 0.193 294 E C 2.038 178.548 176.600 -0.150 0.000 0.985 294 E CA 1.734 58.034 56.400 -0.167 0.000 0.814 294 E CB -1.491 28.161 29.700 -0.081 0.000 0.752 294 E HN 0.670 nan 8.360 nan 0.000 0.466 295 T N 0.145 114.625 114.554 -0.124 0.000 2.770 295 T HA -0.076 4.277 4.350 0.005 0.000 0.263 295 T C 2.207 176.794 174.700 -0.188 0.000 1.039 295 T CA 1.282 63.325 62.100 -0.095 0.000 1.142 295 T CB -0.232 68.618 68.868 -0.030 0.000 0.868 295 T HN 0.264 nan 8.240 nan 0.000 0.435 296 V N 1.805 121.510 119.914 -0.348 0.000 2.343 296 V HA -0.181 3.942 4.120 0.005 0.000 0.247 296 V C 2.882 178.696 176.094 -0.466 0.000 1.051 296 V CA 1.754 63.653 62.300 -0.668 0.000 1.036 296 V CB -1.170 30.178 31.823 -0.792 0.000 0.654 296 V HN 0.529 nan 8.190 nan 0.000 0.451 297 A N -1.100 121.495 122.820 -0.376 0.000 1.902 297 A HA -0.275 4.048 4.320 0.005 0.000 0.217 297 A C 2.262 179.752 177.584 -0.156 0.000 1.181 297 A CA 1.939 53.815 52.037 -0.268 0.000 0.623 297 A CB -0.530 18.312 19.000 -0.262 0.000 0.818 297 A HN 0.521 nan 8.150 nan 0.000 0.443 298 Q N -0.289 119.437 119.800 -0.124 0.000 2.079 298 Q HA -0.193 4.150 4.340 0.005 0.000 0.200 298 Q C 1.874 177.862 176.000 -0.020 0.000 0.974 298 Q CA 1.959 57.727 55.803 -0.059 0.000 0.840 298 Q CB -0.123 28.590 28.738 -0.041 0.000 0.898 298 Q HN 0.817 nan 8.270 nan 0.000 0.430 299 E N -0.077 120.119 120.200 -0.006 0.000 2.112 299 E HA -0.139 4.214 4.350 0.005 0.000 0.190 299 E C 1.951 178.627 176.600 0.127 0.000 0.979 299 E CA 0.657 57.112 56.400 0.091 0.000 0.814 299 E CB 0.086 29.909 29.700 0.203 0.000 0.762 299 E HN 0.150 nan 8.360 nan 0.000 0.460 300 L N -0.033 121.225 121.223 0.058 0.000 2.162 300 L HA 0.017 4.360 4.340 0.005 0.000 0.205 300 L C 1.564 178.454 176.870 0.033 0.000 1.086 300 L CA 1.411 56.304 54.840 0.089 0.000 0.778 300 L CB 0.296 42.331 42.059 -0.041 0.000 0.928 300 L HN 0.036 nan 8.230 nan 0.000 0.446 301 L N -1.384 119.825 121.223 -0.023 0.000 2.858 301 L HA 0.469 4.812 4.340 0.005 0.000 0.251 301 L C 1.168 178.030 176.870 -0.013 0.000 1.149 301 L CA 0.342 55.170 54.840 -0.019 0.000 0.955 301 L CB 0.014 42.042 42.059 -0.051 0.000 1.289 301 L HN 0.240 nan 8.230 nan 0.000 0.542 302 G N 1.101 109.897 108.800 -0.008 0.000 2.221 302 G HA2 -0.300 3.663 3.960 0.005 0.000 0.265 302 G HA3 -0.300 3.663 3.960 0.005 0.000 0.265 302 G C 0.123 175.012 174.900 -0.019 0.000 1.041 302 G CA 0.468 45.566 45.100 -0.004 0.000 0.807 302 G HN 0.358 nan 8.290 nan 0.000 0.502 310 P HA -0.107 nan 4.420 nan 0.000 0.216 310 P C 0.816 178.219 177.300 0.172 0.000 1.153 310 P CA 1.164 64.272 63.100 0.014 0.000 0.858 310 P CB 0.040 31.724 31.700 -0.027 0.000 0.789 311 W N -0.044 121.239 121.300 -0.028 0.000 2.381 311 W HA -0.083 4.580 4.660 0.005 0.000 0.301 311 W C 1.948 178.450 176.519 -0.027 0.000 1.205 311 W CA 0.819 58.148 57.345 -0.026 0.000 1.285 311 W CB -1.716 27.732 29.460 -0.020 0.000 1.133 311 W HN 0.042 nan 8.180 nan 0.000 0.521 312 D N -0.363 120.152 120.400 0.191 0.000 2.117 312 D HA -0.148 4.495 4.640 0.005 0.000 0.198 312 D C 2.142 178.465 176.300 0.038 0.000 0.982 312 D CA 1.474 55.529 54.000 0.091 0.000 0.828 312 D CB -0.291 40.537 40.800 0.047 0.000 0.967 312 D HN -0.023 nan 8.370 nan 0.000 0.464 313 R N 0.472 120.986 120.500 0.025 0.000 2.073 313 R HA -0.025 4.318 4.340 0.005 0.000 0.234 313 R C 2.233 178.517 176.300 -0.028 0.000 1.134 313 R CA 1.178 57.259 56.100 -0.032 0.000 0.952 313 R CB -0.656 29.635 30.300 -0.015 0.000 0.850 313 R HN 0.144 nan 8.270 nan 0.000 0.433 314 M N 0.153 119.774 119.600 0.036 0.000 2.108 314 M HA -0.191 4.292 4.480 0.005 0.000 0.261 314 M C 0.993 177.313 176.300 0.032 0.000 1.066 314 M CA 2.076 57.402 55.300 0.042 0.000 1.107 314 M CB -0.154 32.484 32.600 0.064 0.000 1.356 314 M HN 0.151 nan 8.290 nan 0.000 0.406 315 D N -0.267 120.152 120.400 0.031 0.000 2.097 315 D HA -0.180 4.463 4.640 0.005 0.000 0.197 315 D C 1.836 178.137 176.300 0.003 0.000 0.984 315 D CA 1.243 55.256 54.000 0.021 0.000 0.826 315 D CB -0.400 40.415 40.800 0.025 0.000 0.973 315 D HN 0.334 nan 8.370 nan 0.000 0.460 316 E N 0.666 120.852 120.200 -0.025 0.000 2.110 316 E HA -0.087 4.266 4.350 0.005 0.000 0.193 316 E C 2.085 178.636 176.600 -0.080 0.000 0.988 316 E CA 0.618 56.982 56.400 -0.059 0.000 0.804 316 E CB -0.358 29.285 29.700 -0.096 0.000 0.745 316 E HN 0.301 nan 8.360 nan 0.000 0.458 317 I N 0.581 121.099 120.570 -0.086 0.000 2.252 317 I HA -0.228 3.945 4.170 0.005 0.000 0.245 317 I C 1.677 177.791 176.117 -0.005 0.000 1.102 317 I CA 1.265 62.529 61.300 -0.059 0.000 1.385 317 I CB -0.179 37.825 38.000 0.007 0.000 1.064 317 I HN 0.088 nan 8.210 nan 0.000 0.414 318 D N 0.341 120.770 120.400 0.048 0.000 2.144 318 D HA -0.177 4.466 4.640 0.005 0.000 0.200 318 D C 2.213 178.533 176.300 0.033 0.000 0.978 318 D CA 0.960 55.006 54.000 0.077 0.000 0.833 318 D CB -0.206 40.659 40.800 0.109 0.000 0.961 318 D HN 0.207 nan 8.370 nan 0.000 0.470 319 R N 0.649 121.156 120.500 0.013 0.000 2.092 319 R HA -0.014 4.329 4.340 0.005 0.000 0.231 319 R C 2.162 178.455 176.300 -0.011 0.000 1.119 319 R CA 0.786 56.889 56.100 0.005 0.000 0.970 319 R CB 0.140 30.437 30.300 -0.005 0.000 0.864 319 R HN 0.056 nan 8.270 nan 0.000 0.440 320 R N -0.702 119.783 120.500 -0.024 0.000 2.075 320 R HA -0.128 4.215 4.340 0.005 0.000 0.232 320 R C 2.102 178.382 176.300 -0.032 0.000 1.126 320 R CA 1.555 57.640 56.100 -0.025 0.000 0.963 320 R CB -0.373 29.915 30.300 -0.020 0.000 0.858 320 R HN 0.186 nan 8.270 nan 0.000 0.435 321 F N 1.209 121.010 119.950 -0.247 0.000 2.171 321 F HA -0.147 4.383 4.527 0.005 0.000 0.300 321 F C 2.169 177.878 175.800 -0.152 0.000 1.090 321 F CA 1.329 59.139 58.000 -0.316 0.000 1.293 321 F CB -0.259 38.254 39.000 -0.811 0.000 1.013 321 F HN -0.012 nan 8.300 nan 0.000 0.486 322 A N -0.378 122.419 122.820 -0.038 0.000 1.930 322 A HA -0.119 4.204 4.320 0.005 0.000 0.217 322 A C 1.952 179.482 177.584 -0.090 0.000 1.175 322 A CA 1.926 53.934 52.037 -0.048 0.000 0.627 322 A CB -0.437 18.580 19.000 0.029 0.000 0.815 322 A HN 0.566 nan 8.150 nan 0.000 0.443 323 E N -2.380 117.777 120.200 -0.072 0.000 2.441 323 E HA 0.079 4.432 4.350 0.005 0.000 0.212 323 E C -0.576 175.990 176.600 -0.057 0.000 0.840 323 E CA 0.280 56.644 56.400 -0.059 0.000 1.143 323 E CB 0.578 30.258 29.700 -0.033 0.000 1.153 323 E HN 0.323 nan 8.360 nan 0.000 0.539 324 D N 0.695 121.065 120.400 -0.050 0.000 2.621 324 D HA 0.157 4.800 4.640 0.005 0.000 0.274 324 D C 0.264 176.562 176.300 -0.003 0.000 1.215 324 D CA -0.082 53.905 54.000 -0.021 0.000 0.810 324 D CB 0.371 41.167 40.800 -0.006 0.000 1.248 324 D HN -0.151 nan 8.370 nan 0.000 0.517 325 K N 0.463 120.856 120.400 -0.012 0.000 2.152 325 K HA -0.101 4.222 4.320 0.005 0.000 0.206 325 K C -1.024 175.627 176.600 0.085 0.000 1.048 325 K CA 1.157 57.464 56.287 0.034 0.000 0.933 325 K CB -0.291 32.250 32.500 0.069 0.000 0.721 325 K HN 0.315 nan 8.250 nan 0.000 0.447 326 P HA -0.145 nan 4.420 nan 0.000 0.217 326 P C 1.022 178.395 177.300 0.122 0.000 1.150 326 P CA 1.478 64.632 63.100 0.089 0.000 0.832 326 P CB 0.071 31.805 31.700 0.056 0.000 0.787 327 A N -0.665 122.208 122.820 0.090 0.000 1.930 327 A HA -0.162 4.161 4.320 0.005 0.000 0.217 327 A C 2.098 179.759 177.584 0.129 0.000 1.175 327 A CA 1.326 53.422 52.037 0.098 0.000 0.627 327 A CB -1.623 17.409 19.000 0.053 0.000 0.815 327 A HN 0.159 nan 8.150 nan 0.000 0.443 328 L N -0.320 120.972 121.223 0.114 0.000 2.093 328 L HA -0.000 4.343 4.340 0.005 0.000 0.208 328 L C 2.595 179.580 176.870 0.191 0.000 1.085 328 L CA 2.069 56.999 54.840 0.150 0.000 0.755 328 L CB -0.719 41.415 42.059 0.125 0.000 0.904 328 L HN 0.317 nan 8.230 nan 0.000 0.435 329 A N -1.362 121.556 122.820 0.163 0.000 1.877 329 A HA -0.196 4.127 4.320 0.005 0.000 0.216 329 A C 2.262 179.885 177.584 0.066 0.000 1.186 329 A CA 2.276 54.395 52.037 0.137 0.000 0.620 329 A CB -1.270 17.875 19.000 0.241 0.000 0.822 329 A HN 0.498 nan 8.150 nan 0.000 0.443 330 T N -1.362 113.336 114.554 0.240 0.000 2.684 330 T HA -0.224 4.129 4.350 0.005 0.000 0.267 330 T C 1.799 176.506 174.700 0.012 0.000 1.036 330 T CA 1.878 64.078 62.100 0.167 0.000 1.148 330 T CB -0.483 68.540 68.868 0.259 0.000 0.863 330 T HN 0.615 nan 8.240 nan 0.000 0.436 331 Y N 2.658 122.943 120.300 -0.024 0.000 2.181 331 Y HA -0.170 4.383 4.550 0.005 0.000 0.288 331 Y C 2.421 178.273 175.900 -0.080 0.000 1.146 331 Y CA 1.528 59.603 58.100 -0.043 0.000 1.164 331 Y CB -0.561 37.894 38.460 -0.008 0.000 0.982 331 Y HN 0.124 nan 8.280 nan 0.000 0.515 332 N N 0.749 119.367 118.700 -0.137 0.000 2.058 332 N HA -0.203 4.540 4.740 0.005 0.000 0.191 332 N C 1.836 177.145 175.510 -0.335 0.000 1.037 332 N CA 1.837 54.746 53.050 -0.235 0.000 0.848 332 N CB -0.725 37.727 38.487 -0.058 0.000 1.021 332 N HN 0.486 nan 8.380 nan 0.000 0.422 333 L N 0.852 121.839 121.223 -0.394 0.000 2.141 333 L HA -0.043 4.300 4.340 0.005 0.000 0.209 333 L C 2.162 178.806 176.870 -0.377 0.000 1.094 333 L CA 1.652 56.210 54.840 -0.470 0.000 0.763 333 L CB -0.784 40.785 42.059 -0.817 0.000 0.908 333 L HN 0.132 nan 8.230 nan 0.000 0.437 334 K N -0.033 120.158 120.400 -0.348 0.000 2.063 334 K HA -0.196 4.127 4.320 0.005 0.000 0.208 334 K C 1.847 178.268 176.600 -0.299 0.000 1.048 334 K CA 1.885 58.008 56.287 -0.273 0.000 0.928 334 K CB -0.417 31.949 32.500 -0.223 0.000 0.713 334 K HN 0.339 nan 8.250 nan 0.000 0.442 335 N N -0.025 118.439 118.700 -0.394 0.000 2.166 335 N HA -0.126 4.617 4.740 0.005 0.000 0.186 335 N C 1.705 177.055 175.510 -0.266 0.000 1.019 335 N CA 1.431 54.262 53.050 -0.365 0.000 0.856 335 N CB -0.730 37.499 38.487 -0.430 0.000 0.993 335 N HN 0.267 nan 8.380 nan 0.000 0.426 336 C N 0.999 120.150 119.300 -0.248 0.000 2.432 336 C HA -0.057 4.406 4.460 0.005 0.000 0.277 336 C C 2.426 177.312 174.990 -0.173 0.000 1.249 336 C CA 0.455 59.354 59.018 -0.198 0.000 1.725 336 C CB -0.893 26.714 27.740 -0.221 0.000 2.028 336 C HN 0.536 nan 8.230 nan 0.000 0.477 337 E N 0.522 120.614 120.200 -0.180 0.000 2.106 337 E HA -0.145 4.207 4.350 0.005 0.000 0.192 337 E C 2.101 178.632 176.600 -0.115 0.000 0.984 337 E CA 0.888 57.211 56.400 -0.128 0.000 0.806 337 E CB -0.212 29.411 29.700 -0.128 0.000 0.750 337 E HN 0.632 nan 8.360 nan 0.000 0.458 338 L N 0.570 121.692 121.223 -0.169 0.000 2.046 338 L HA -0.191 4.152 4.340 0.005 0.000 0.208 338 L C 2.484 179.243 176.870 -0.186 0.000 1.077 338 L CA 0.835 55.560 54.840 -0.193 0.000 0.747 338 L CB -0.389 41.507 42.059 -0.273 0.000 0.896 338 L HN 0.060 nan 8.230 nan 0.000 0.432 339 V N -0.680 119.122 119.914 -0.187 0.000 2.407 339 V HA -0.275 3.848 4.120 0.005 0.000 0.248 339 V C 2.510 178.604 176.094 -0.001 0.000 1.055 339 V CA 2.276 64.522 62.300 -0.090 0.000 1.049 339 V CB -0.690 31.109 31.823 -0.040 0.000 0.662 339 V HN 0.486 nan 8.190 nan 0.000 0.455 340 T N -0.836 113.689 114.554 -0.048 0.000 2.821 340 T HA -0.212 4.141 4.350 0.005 0.000 0.267 340 T C 1.933 176.718 174.700 0.142 0.000 1.046 340 T CA 1.381 63.492 62.100 0.019 0.000 1.139 340 T CB -0.190 68.704 68.868 0.044 0.000 0.871 340 T HN 0.525 nan 8.240 nan 0.000 0.454 341 Q N 0.198 120.061 119.800 0.105 0.000 2.084 341 Q HA -0.005 4.338 4.340 0.005 0.000 0.202 341 Q C 2.361 178.438 176.000 0.129 0.000 0.978 341 Q CA 1.186 57.070 55.803 0.135 0.000 0.844 341 Q CB -0.321 28.435 28.738 0.030 0.000 0.898 341 Q HN 0.516 nan 8.270 nan 0.000 0.426 342 I N -0.153 120.452 120.570 0.058 0.000 2.226 342 I HA -0.279 3.894 4.170 0.005 0.000 0.245 342 I C 1.906 178.078 176.117 0.092 0.000 1.100 342 I CA 1.269 62.574 61.300 0.009 0.000 1.374 342 I CB -0.263 37.689 38.000 -0.080 0.000 1.057 342 I HN 0.163 nan 8.210 nan 0.000 0.413 343 F N 0.266 120.195 119.950 -0.034 0.000 2.102 343 F HA -0.269 4.261 4.527 0.005 0.000 0.298 343 F C 2.790 178.634 175.800 0.072 0.000 1.105 343 F CA 1.366 59.345 58.000 -0.035 0.000 1.239 343 F CB -0.398 38.530 39.000 -0.120 0.000 0.991 343 F HN 0.130 nan 8.300 nan 0.000 0.474 344 H N -0.128 119.177 119.070 0.391 0.000 2.352 344 H HA -0.167 4.392 4.556 0.005 0.000 0.299 344 H C 2.124 177.540 175.328 0.147 0.000 1.097 344 H CA 1.687 57.890 56.048 0.260 0.000 1.311 344 H CB -0.424 29.438 29.762 0.166 0.000 1.377 344 H HN 0.087 nan 8.280 nan 0.000 0.504 345 K N 0.627 121.157 120.400 0.218 0.000 2.057 345 K HA -0.092 4.231 4.320 0.005 0.000 0.206 345 K C 2.211 178.865 176.600 0.089 0.000 1.050 345 K CA 1.856 58.215 56.287 0.121 0.000 0.935 345 K CB -0.356 32.179 32.500 0.058 0.000 0.715 345 K HN 0.414 nan 8.250 nan 0.000 0.439 346 T N -1.515 113.011 114.554 -0.047 0.000 3.055 346 T HA 0.016 4.369 4.350 0.005 0.000 0.265 346 T C 0.008 174.793 174.700 0.142 0.000 1.111 346 T CA 0.531 62.557 62.100 -0.122 0.000 1.118 346 T CB -0.406 68.072 68.868 -0.650 0.000 0.909 346 T HN 0.421 nan 8.240 nan 0.000 0.501 347 E N -0.135 120.152 120.200 0.146 0.000 2.389 347 E HA -0.203 4.150 4.350 0.005 0.000 0.243 347 E C 0.501 177.211 176.600 0.183 0.000 1.154 347 E CA 0.390 56.913 56.400 0.205 0.000 0.723 347 E CB -1.843 27.986 29.700 0.214 0.000 1.261 347 E HN 0.498 nan 8.360 nan 0.000 0.390 348 I N -0.295 120.308 120.570 0.055 0.000 2.439 348 I HA -0.208 3.965 4.170 0.005 0.000 0.251 348 I C 1.996 178.162 176.117 0.081 0.000 1.139 348 I CA 1.365 62.673 61.300 0.013 0.000 1.438 348 I CB 0.020 37.805 38.000 -0.358 0.000 1.085 348 I HN 0.237 nan 8.210 nan 0.000 0.427 349 M N 0.473 120.115 119.600 0.070 0.000 2.132 349 M HA -0.033 4.450 4.480 0.005 0.000 0.263 349 M C -0.135 176.236 176.300 0.118 0.000 1.065 349 M CA 1.759 57.116 55.300 0.094 0.000 1.122 349 M CB -2.473 30.233 32.600 0.177 0.000 1.365 349 M HN 0.096 nan 8.290 nan 0.000 0.411 350 P HA -0.154 nan 4.420 nan 0.000 0.217 350 P C 1.644 179.024 177.300 0.133 0.000 1.150 350 P CA 1.062 64.238 63.100 0.127 0.000 0.832 350 P CB -0.330 31.464 31.700 0.157 0.000 0.787 351 F N 0.260 120.241 119.950 0.053 0.000 2.134 351 F HA -0.135 4.395 4.527 0.005 0.000 0.299 351 F C 1.845 177.663 175.800 0.030 0.000 1.097 351 F CA 1.444 59.473 58.000 0.048 0.000 1.264 351 F CB -0.943 38.096 39.000 0.064 0.000 1.001 351 F HN -0.254 nan 8.300 nan 0.000 0.479 352 L N -0.239 120.900 121.223 -0.140 0.000 2.093 352 L HA -0.201 4.142 4.340 0.005 0.000 0.208 352 L C 2.451 179.234 176.870 -0.146 0.000 1.085 352 L CA 0.963 55.665 54.840 -0.230 0.000 0.755 352 L CB -0.717 41.303 42.059 -0.064 0.000 0.904 352 L HN 0.244 nan 8.230 nan 0.000 0.435 353 L N -0.830 120.354 121.223 -0.066 0.000 2.072 353 L HA -0.138 4.205 4.340 0.005 0.000 0.205 353 L C 2.695 179.596 176.870 0.052 0.000 1.079 353 L CA 0.833 55.669 54.840 -0.006 0.000 0.752 353 L CB -0.498 41.463 42.059 -0.164 0.000 0.906 353 L HN 0.233 nan 8.230 nan 0.000 0.436 354 E N 0.238 120.421 120.200 -0.028 0.000 2.072 354 E HA -0.222 4.131 4.350 0.005 0.000 0.191 354 E C 2.146 178.713 176.600 -0.055 0.000 0.985 354 E CA 0.983 57.380 56.400 -0.005 0.000 0.801 354 E CB -0.222 29.478 29.700 0.000 0.000 0.750 354 E HN 0.370 nan 8.360 nan 0.000 0.452 355 R N 0.661 121.036 120.500 -0.208 0.000 2.081 355 R HA -0.085 4.258 4.340 0.005 0.000 0.235 355 R C 2.150 178.377 176.300 -0.121 0.000 1.131 355 R CA 1.479 57.436 56.100 -0.238 0.000 0.960 355 R CB -0.170 29.836 30.300 -0.489 0.000 0.856 355 R HN 0.126 nan 8.270 nan 0.000 0.436 356 A N -0.239 122.538 122.820 -0.072 0.000 1.969 356 A HA -0.079 4.244 4.320 0.005 0.000 0.218 356 A C 2.080 179.649 177.584 -0.025 0.000 1.169 356 A CA 1.755 53.770 52.037 -0.035 0.000 0.635 356 A CB -0.611 18.414 19.000 0.040 0.000 0.810 356 A HN 0.449 nan 8.150 nan 0.000 0.445 357 T N -0.671 113.911 114.554 0.047 0.000 2.867 357 T HA -0.071 4.282 4.350 0.005 0.000 0.268 357 T C 1.793 176.509 174.700 0.027 0.000 1.057 357 T CA 1.540 63.669 62.100 0.049 0.000 1.136 357 T CB -0.163 68.790 68.868 0.142 0.000 0.874 357 T HN 0.164 nan 8.240 nan 0.000 0.466 358 V N 3.054 122.978 119.914 0.016 0.000 2.446 358 V HA -0.059 4.064 4.120 0.005 0.000 0.244 358 V C 2.274 178.377 176.094 0.016 0.000 1.039 358 V CA 1.593 63.910 62.300 0.029 0.000 1.045 358 V CB -0.415 31.422 31.823 0.024 0.000 0.681 358 V HN 0.614 nan 8.190 nan 0.000 0.459 359 N N 0.512 119.192 118.700 -0.033 0.000 2.373 359 N HA 0.131 4.874 4.740 0.005 0.000 0.181 359 N C 1.449 176.875 175.510 -0.140 0.000 1.082 359 N CA 1.097 54.117 53.050 -0.049 0.000 0.885 359 N CB 0.333 38.781 38.487 -0.065 0.000 0.977 359 N HN 0.421 nan 8.380 nan 0.000 0.462 360 G N -0.265 108.400 108.800 -0.224 0.000 2.184 360 G HA2 -0.260 3.703 3.960 0.005 0.000 0.264 360 G HA3 -0.260 3.703 3.960 0.005 0.000 0.264 360 G C -0.224 174.300 174.900 -0.627 0.000 0.975 360 G CA 0.661 45.406 45.100 -0.591 0.000 0.642 360 G HN 0.353 nan 8.290 nan 0.000 0.536 361 L N 0.210 121.246 121.223 -0.312 0.000 2.387 361 L HA 0.526 4.869 4.340 0.005 0.000 0.266 361 L C -1.823 174.974 176.870 -0.122 0.000 1.059 361 L CA -2.441 52.282 54.840 -0.196 0.000 0.801 361 L CB 0.756 42.741 42.059 -0.123 0.000 1.223 361 L HN -0.165 nan 8.230 nan 0.000 0.456 362 P HA -0.006 nan 4.420 nan 0.000 0.269 362 P C 0.812 178.103 177.300 -0.014 0.000 1.215 362 P CA -0.274 62.809 63.100 -0.028 0.000 0.780 362 P CB 0.649 32.336 31.700 -0.021 0.000 0.898 363 V N 1.396 121.329 119.914 0.031 0.000 2.469 363 V HA -0.216 3.907 4.120 0.005 0.000 0.251 363 V C 1.594 177.691 176.094 0.005 0.000 1.064 363 V CA 2.427 64.747 62.300 0.033 0.000 1.066 363 V CB -1.203 30.674 31.823 0.089 0.000 0.667 363 V HN 0.682 nan 8.190 nan 0.000 0.461 364 D N -0.184 120.223 120.400 0.011 0.000 2.339 364 D HA -0.039 4.604 4.640 0.005 0.000 0.217 364 D C 1.124 177.437 176.300 0.020 0.000 1.050 364 D CA -0.356 53.654 54.000 0.017 0.000 0.856 364 D CB -0.351 40.466 40.800 0.028 0.000 0.922 364 D HN 0.267 nan 8.370 nan 0.000 0.518 365 R N 0.918 121.413 120.500 -0.007 0.000 2.537 365 R HA -0.075 4.268 4.340 0.005 0.000 0.281 365 R C 1.258 177.568 176.300 0.017 0.000 0.988 365 R CA 0.251 56.344 56.100 -0.011 0.000 1.077 365 R CB -0.317 29.957 30.300 -0.044 0.000 0.932 365 R HN 0.202 nan 8.270 nan 0.000 0.409 366 H N 2.397 121.446 119.070 -0.034 0.000 2.284 366 H HA 0.010 4.569 4.556 0.005 0.000 0.304 366 H C 0.696 176.015 175.328 -0.015 0.000 1.069 366 H CA 1.880 57.920 56.048 -0.013 0.000 1.327 366 H CB 0.349 30.124 29.762 0.021 0.000 1.387 366 H HN 0.655 nan 8.280 nan 0.000 0.498 367 G N -1.614 107.099 108.800 -0.144 0.000 2.727 367 G HA2 0.321 4.284 3.960 0.005 0.000 0.212 367 G HA3 0.321 4.284 3.960 0.005 0.000 0.212 367 G C 0.714 175.568 174.900 -0.076 0.000 2.076 367 G CA 0.402 45.399 45.100 -0.172 0.000 0.744 367 G HN 0.641 nan 8.290 nan 0.000 0.775 368 G N -0.446 108.339 108.800 -0.025 0.000 2.143 368 G HA2 -0.228 3.735 3.960 0.005 0.000 0.249 368 G HA3 -0.228 3.735 3.960 0.005 0.000 0.249 368 G C 1.518 176.422 174.900 0.007 0.000 0.981 368 G CA 1.466 46.560 45.100 -0.010 0.000 0.665 368 G HN 1.611 nan 8.290 nan 0.000 0.528 369 S N -1.154 114.549 115.700 0.006 0.000 2.399 369 S HA -0.026 4.447 4.470 0.005 0.000 0.231 369 S C 2.212 176.854 174.600 0.072 0.000 1.022 369 S CA 1.782 59.992 58.200 0.017 0.000 0.983 369 S CB -0.149 63.052 63.200 0.002 0.000 0.803 369 S HN 0.739 nan 8.310 nan 0.000 0.480 370 V N 2.256 122.208 119.914 0.065 0.000 2.379 370 V HA -0.014 4.109 4.120 0.005 0.000 0.245 370 V C 3.101 179.296 176.094 0.167 0.000 1.044 370 V CA 1.564 63.922 62.300 0.098 0.000 1.036 370 V CB -1.311 30.540 31.823 0.047 0.000 0.664 370 V HN 0.656 nan 8.190 nan 0.000 0.453 371 A N -0.188 122.697 122.820 0.107 0.000 1.969 371 A HA -0.030 4.293 4.320 0.005 0.000 0.218 371 A C 2.372 180.039 177.584 0.138 0.000 1.169 371 A CA 1.816 53.913 52.037 0.100 0.000 0.635 371 A CB -0.595 18.428 19.000 0.040 0.000 0.810 371 A HN 0.542 nan 8.150 nan 0.000 0.445 372 A N -1.056 121.838 122.820 0.122 0.000 1.898 372 A HA -0.026 4.297 4.320 0.005 0.000 0.216 372 A C 2.055 179.777 177.584 0.230 0.000 1.181 372 A CA 1.426 53.535 52.037 0.120 0.000 0.620 372 A CB -0.724 18.302 19.000 0.043 0.000 0.819 372 A HN 0.678 nan 8.150 nan 0.000 0.442 373 F N 1.088 121.108 119.950 0.117 0.000 2.134 373 F HA -0.068 4.462 4.527 0.005 0.000 0.299 373 F C 2.282 178.254 175.800 0.287 0.000 1.097 373 F CA 1.629 59.751 58.000 0.203 0.000 1.264 373 F CB -0.423 38.681 39.000 0.174 0.000 1.001 373 F HN 0.230 nan 8.300 nan 0.000 0.479 374 G N -1.437 107.732 108.800 0.615 0.000 2.422 374 G HA2 -0.340 3.623 3.960 0.005 0.000 0.218 374 G HA3 -0.340 3.623 3.960 0.005 0.000 0.218 374 G C 1.328 176.367 174.900 0.232 0.000 1.146 374 G CA 1.141 46.578 45.100 0.560 0.000 0.769 374 G HN 0.520 nan 8.290 nan 0.000 0.547 375 H N 0.363 119.463 119.070 0.050 0.000 2.319 375 H HA 0.059 4.618 4.556 0.005 0.000 0.299 375 H C 2.542 177.896 175.328 0.044 0.000 1.092 375 H CA 1.593 57.630 56.048 -0.017 0.000 1.302 375 H CB -0.130 29.627 29.762 -0.009 0.000 1.373 375 H HN 0.278 nan 8.280 nan 0.000 0.497 376 L N -1.244 120.095 121.223 0.193 0.000 2.156 376 L HA -0.148 4.195 4.340 0.005 0.000 0.208 376 L C 2.003 178.901 176.870 0.046 0.000 1.095 376 L CA 0.970 55.886 54.840 0.127 0.000 0.770 376 L CB -0.440 41.701 42.059 0.137 0.000 0.914 376 L HN 0.324 nan 8.230 nan 0.000 0.439 377 Y N -0.069 120.176 120.300 -0.092 0.000 2.184 377 Y HA -0.205 4.348 4.550 0.005 0.000 0.290 377 Y C 2.413 178.331 175.900 0.031 0.000 1.129 377 Y CA 1.234 59.253 58.100 -0.135 0.000 1.144 377 Y CB -0.237 38.042 38.460 -0.302 0.000 0.995 377 Y HN -0.078 nan 8.280 nan 0.000 0.513 378 F N 0.975 120.897 119.950 -0.047 0.000 2.063 378 F HA -0.275 4.255 4.527 0.005 0.000 0.298 378 F C -0.270 175.252 175.800 -0.463 0.000 1.105 378 F CA 2.025 59.879 58.000 -0.243 0.000 1.215 378 F CB -2.209 36.715 39.000 -0.128 0.000 0.972 378 F HN 0.139 nan 8.300 nan 0.000 0.483 379 P HA -0.188 nan 4.420 nan 0.000 0.215 379 P C 1.412 178.599 177.300 -0.189 0.000 1.153 379 P CA 1.879 64.797 63.100 -0.304 0.000 0.853 379 P CB -0.193 30.999 31.700 -0.847 0.000 0.788 380 R N -0.918 119.475 120.500 -0.178 0.000 2.115 380 R HA 0.036 4.379 4.340 0.005 0.000 0.226 380 R C 2.656 178.826 176.300 -0.217 0.000 1.100 380 R CA 1.051 57.069 56.100 -0.136 0.000 0.980 380 R CB -0.765 29.414 30.300 -0.202 0.000 0.875 380 R HN 0.236 nan 8.270 nan 0.000 0.445 381 M N 0.152 119.530 119.600 -0.370 0.000 2.117 381 M HA -0.186 4.297 4.480 0.005 0.000 0.262 381 M C 1.551 177.813 176.300 -0.064 0.000 1.065 381 M CA 1.883 57.039 55.300 -0.240 0.000 1.114 381 M CB -0.114 32.346 32.600 -0.234 0.000 1.361 381 M HN 0.247 nan 8.290 nan 0.000 0.408 382 H N -1.148 117.885 119.070 -0.061 0.000 2.389 382 H HA -0.119 4.440 4.556 0.005 0.000 0.299 382 H C 2.165 177.459 175.328 -0.055 0.000 1.081 382 H CA 1.399 57.406 56.048 -0.069 0.000 1.345 382 H CB -0.039 29.687 29.762 -0.061 0.000 1.393 382 H HN 0.374 nan 8.280 nan 0.000 0.520 383 R N 0.757 121.306 120.500 0.082 0.000 2.148 383 R HA -0.034 4.309 4.340 0.005 0.000 0.227 383 R C 2.059 178.366 176.300 0.012 0.000 1.103 383 R CA 0.907 57.034 56.100 0.045 0.000 0.983 383 R CB 0.017 30.352 30.300 0.058 0.000 0.874 383 R HN 0.288 nan 8.270 nan 0.000 0.451 384 A N -0.810 122.021 122.820 0.017 0.000 2.208 384 A HA 0.232 4.555 4.320 0.005 0.000 0.209 384 A C 1.235 178.811 177.584 -0.014 0.000 1.161 384 A CA 0.709 52.763 52.037 0.029 0.000 0.782 384 A CB 0.038 19.086 19.000 0.080 0.000 0.816 384 A HN 0.500 nan 8.150 nan 0.000 0.477 385 G N -2.612 106.150 108.800 -0.064 0.000 2.134 385 G HA2 -0.207 3.756 3.960 0.005 0.000 0.209 385 G HA3 -0.207 3.756 3.960 0.005 0.000 0.209 385 G C -0.262 174.370 174.900 -0.448 0.000 0.993 385 G CA 0.136 45.082 45.100 -0.256 0.000 0.669 385 G HN 0.416 nan 8.290 nan 0.000 0.519 386 Y N -1.021 119.258 120.300 -0.035 0.000 2.570 386 Y HA 0.663 5.216 4.550 0.005 0.000 0.345 386 Y C 0.592 176.492 175.900 -0.001 0.000 1.014 386 Y CA -0.682 57.410 58.100 -0.014 0.000 1.063 386 Y CB 2.207 40.692 38.460 0.042 0.000 1.272 386 Y HN 0.522 nan 8.280 nan 0.000 0.477 387 V N -0.471 119.494 119.914 0.086 0.000 2.881 387 V HA 0.953 5.076 4.120 0.005 0.000 0.316 387 V C 0.057 176.066 176.094 -0.141 0.000 1.070 387 V CA -1.375 60.851 62.300 -0.123 0.000 0.976 387 V CB 1.203 32.747 31.823 -0.464 0.000 1.038 387 V HN 0.918 nan 8.190 nan 0.000 0.446 388 A N 3.745 126.397 122.820 -0.279 0.000 2.425 388 A HA 0.678 5.001 4.320 0.005 0.000 0.249 388 A C -1.974 175.294 177.584 -0.527 0.000 1.084 388 A CA -1.259 50.501 52.037 -0.461 0.000 0.781 388 A CB -0.368 18.345 19.000 -0.479 0.000 1.019 388 A HN 0.854 nan 8.150 nan 0.000 0.490 389 P HA 0.148 nan 4.420 nan 0.000 0.274 389 P C -0.645 176.513 177.300 -0.238 0.000 1.237 389 P CA -0.524 62.244 63.100 -0.553 0.000 0.793 389 P CB 0.706 31.925 31.700 -0.802 0.000 0.977 390 N N 0.378 119.090 118.700 0.021 0.000 2.413 390 N HA 0.255 4.998 4.740 0.005 0.000 0.266 390 N C 0.037 175.522 175.510 -0.042 0.000 1.238 390 N CA -0.446 52.621 53.050 0.030 0.000 0.972 390 N CB -0.055 38.488 38.487 0.093 0.000 1.210 390 N HN 0.288 nan 8.380 nan 0.000 0.547 391 L N 0.429 121.637 121.223 -0.026 0.000 2.453 391 L HA 0.275 4.618 4.340 0.005 0.000 0.261 391 L C 1.405 178.271 176.870 -0.007 0.000 1.179 391 L CA 0.569 55.390 54.840 -0.032 0.000 0.813 391 L CB -0.193 41.851 42.059 -0.024 0.000 1.110 391 L HN 0.834 nan 8.230 nan 0.000 0.466 392 G N 2.183 110.977 108.800 -0.010 0.000 2.402 392 G HA2 -0.315 3.648 3.960 0.005 0.000 0.300 392 G HA3 -0.315 3.648 3.960 0.005 0.000 0.300 392 G C 0.783 175.701 174.900 0.030 0.000 0.987 392 G CA 1.088 46.188 45.100 -0.000 0.000 0.881 392 G HN 0.801 nan 8.290 nan 0.000 0.512 393 E N -1.670 118.563 120.200 0.055 0.000 2.251 393 E HA 0.176 4.529 4.350 0.005 0.000 0.194 393 E C 1.222 177.885 176.600 0.106 0.000 0.964 393 E CA 0.220 56.666 56.400 0.077 0.000 0.868 393 E CB 0.671 30.426 29.700 0.093 0.000 0.828 393 E HN 0.359 nan 8.360 nan 0.000 0.481 394 V N 4.185 124.180 119.914 0.134 0.000 2.408 394 V HA 0.185 4.308 4.120 0.005 0.000 0.267 394 V C -2.320 173.923 176.094 0.249 0.000 1.047 394 V CA -2.165 60.243 62.300 0.181 0.000 0.937 394 V CB 0.859 32.789 31.823 0.178 0.000 0.999 394 V HN -0.006 nan 8.190 nan 0.000 0.472 395 P HA 0.354 nan 4.420 nan 0.000 0.275 395 P C -2.881 174.651 177.300 0.387 0.000 1.228 395 P CA -1.508 61.726 63.100 0.223 0.000 0.786 395 P CB 0.834 32.637 31.700 0.173 0.000 0.927 396 P HA 0.283 nan 4.420 nan 0.000 0.292 396 P C -0.371 177.177 177.300 0.414 0.000 1.287 396 P CA -0.143 63.227 63.100 0.449 0.000 0.800 396 P CB 0.922 32.666 31.700 0.073 0.000 0.945 397 H N 0.755 119.958 119.070 0.221 0.000 2.495 397 H HA 0.413 4.972 4.556 0.005 0.000 0.350 397 H C 0.483 175.878 175.328 0.111 0.000 1.202 397 H CA -1.095 55.026 56.048 0.122 0.000 1.322 397 H CB 1.358 31.170 29.762 0.083 0.000 1.544 397 H HN 0.504 nan 8.280 nan 0.000 0.565 398 A N 1.832 124.764 122.820 0.188 0.000 2.524 398 A HA 0.059 4.382 4.320 0.005 0.000 0.250 398 A C 0.475 178.136 177.584 0.129 0.000 1.078 398 A CA 0.063 52.175 52.037 0.125 0.000 0.761 398 A CB -0.033 19.016 19.000 0.081 0.000 1.012 398 A HN 0.535 nan 8.150 nan 0.000 0.500 399 S N 3.814 119.583 115.700 0.114 0.000 2.452 399 S HA 0.527 5.000 4.470 0.005 0.000 0.284 399 S C -2.119 172.541 174.600 0.101 0.000 1.171 399 S CA -1.290 56.971 58.200 0.103 0.000 1.064 399 S CB -0.173 63.089 63.200 0.104 0.000 0.967 399 S HN 0.596 nan 8.310 nan 0.000 0.484 400 P HA 0.268 nan 4.420 nan 0.000 0.266 400 P C 0.330 177.729 177.300 0.165 0.000 1.195 400 P CA -0.148 63.014 63.100 0.104 0.000 0.768 400 P CB 0.331 32.036 31.700 0.009 0.000 0.838 401 G N 1.039 109.959 108.800 0.200 0.000 2.547 401 G HA2 0.519 4.482 3.960 0.005 0.000 0.291 401 G HA3 0.519 4.482 3.960 0.005 0.000 0.291 401 G C 0.137 175.237 174.900 0.333 0.000 1.211 401 G CA -0.454 44.773 45.100 0.212 0.000 0.950 401 G HN 0.646 nan 8.290 nan 0.000 0.504 402 G N -1.822 107.138 108.800 0.266 0.000 2.606 402 G HA2 0.382 4.345 3.960 0.005 0.000 0.252 402 G HA3 0.382 4.345 3.960 0.005 0.000 0.252 402 G C -0.479 174.498 174.900 0.129 0.000 1.206 402 G CA -0.451 44.835 45.100 0.311 0.000 0.861 402 G HN 0.647 nan 8.290 nan 0.000 0.561 403 Y N 0.406 120.656 120.300 -0.083 0.000 2.610 403 Y HA 0.373 4.925 4.550 0.004 0.000 0.332 403 Y C -0.237 175.553 175.900 -0.184 0.000 1.201 403 Y CA 0.148 58.028 58.100 -0.365 0.000 1.465 403 Y CB 0.663 39.027 38.460 -0.160 0.000 1.283 403 Y HN 0.274 nan 8.280 nan 0.000 0.563 404 V N 8.466 127.870 119.914 -0.850 0.000 2.655 404 V HA 0.227 4.350 4.120 0.005 0.000 0.301 404 V C -0.472 175.171 176.094 -0.752 0.000 1.082 404 V CA -1.121 60.807 62.300 -0.620 0.000 0.899 404 V CB 1.503 33.190 31.823 -0.226 0.000 1.014 404 V HN 0.947 nan 8.190 nan 0.000 0.429 405 M N 3.094 122.314 119.600 -0.632 0.000 2.300 405 M HA 0.527 5.010 4.480 0.005 0.000 0.348 405 M C -0.702 175.563 176.300 -0.057 0.000 1.151 405 M CA -0.361 54.741 55.300 -0.331 0.000 1.046 405 M CB 1.391 33.903 32.600 -0.146 0.000 1.647 405 M HN 0.653 nan 8.290 nan 0.000 0.451 406 D N 3.643 124.041 120.400 -0.003 0.000 2.417 406 D HA 0.074 4.717 4.640 0.005 0.000 0.250 406 D C 0.269 176.660 176.300 0.152 0.000 1.166 406 D CA 0.389 54.433 54.000 0.075 0.000 0.881 406 D CB 1.010 41.835 40.800 0.041 0.000 1.164 406 D HN 0.714 nan 8.370 nan 0.000 0.467 407 S N 3.219 119.042 115.700 0.204 0.000 2.608 407 S HA 0.229 4.702 4.470 0.005 0.000 0.261 407 S C 0.325 174.981 174.600 0.094 0.000 1.314 407 S CA -0.522 57.790 58.200 0.187 0.000 0.992 407 S CB 1.108 64.256 63.200 -0.088 0.000 0.935 407 S HN 0.361 nan 8.310 nan 0.000 0.564 408 R N 1.871 122.420 120.500 0.082 0.000 2.312 408 R HA 0.379 4.722 4.340 0.005 0.000 0.310 408 R C -2.539 173.792 176.300 0.052 0.000 1.064 408 R CA -2.025 54.124 56.100 0.081 0.000 0.983 408 R CB 1.290 31.664 30.300 0.123 0.000 1.139 408 R HN 0.616 nan 8.270 nan 0.000 0.536 409 P HA 0.156 nan 4.420 nan 0.000 0.269 409 P C 0.083 177.096 177.300 -0.479 0.000 1.209 409 P CA 0.299 63.338 63.100 -0.102 0.000 0.776 409 P CB 1.321 33.127 31.700 0.177 0.000 0.876 410 G N 0.644 108.721 108.800 -1.205 0.000 2.356 410 G HA2 0.311 4.274 3.960 0.005 0.000 0.300 410 G HA3 0.311 4.274 3.960 0.005 0.000 0.300 410 G C -2.454 171.805 174.900 -1.069 0.000 1.331 410 G CA -0.741 43.444 45.100 -1.526 0.000 0.905 410 G HN 0.624 nan 8.290 nan 0.000 0.587 411 L N 0.565 121.279 121.223 -0.849 0.000 2.305 411 L HA 0.871 5.214 4.340 0.005 0.000 0.284 411 L C -1.108 175.493 176.870 -0.448 0.000 1.013 411 L CA -1.079 53.544 54.840 -0.361 0.000 0.819 411 L CB 0.721 42.681 42.059 -0.165 0.000 1.227 411 L HN 0.599 nan 8.230 nan 0.000 0.417 412 Y N 1.882 122.084 120.300 -0.163 0.000 2.630 412 Y HA 0.584 5.134 4.550 0.001 0.000 0.337 412 Y C -0.454 175.473 175.900 0.046 0.000 1.051 412 Y CA -1.021 56.984 58.100 -0.158 0.000 1.121 412 Y CB 1.667 39.935 38.460 -0.321 0.000 1.299 412 Y HN 0.443 nan 8.280 nan 0.000 0.498 413 D N 0.610 121.244 120.400 0.390 0.000 2.408 413 D HA 0.313 4.956 4.640 0.005 0.000 0.243 413 D C -1.015 175.561 176.300 0.459 0.000 1.075 413 D CA -0.183 54.025 54.000 0.346 0.000 0.832 413 D CB 1.689 42.676 40.800 0.313 0.000 1.162 413 D HN 0.587 nan 8.370 nan 0.000 0.515 414 S N 0.232 116.148 115.700 0.359 0.000 3.471 414 S HA -0.097 4.376 4.470 0.005 0.000 0.577 414 S C -0.510 174.293 174.600 0.339 0.000 0.626 414 S CA -0.138 58.311 58.200 0.415 0.000 1.399 414 S CB -0.418 63.029 63.200 0.412 0.000 0.984 414 S HN 0.333 nan 8.310 nan 0.000 0.905 415 V N 5.542 125.595 119.914 0.231 0.000 2.588 415 V HA 0.564 4.687 4.120 0.005 0.000 0.304 415 V C 0.190 176.287 176.094 0.004 0.000 1.042 415 V CA -0.771 61.526 62.300 -0.005 0.000 0.877 415 V CB 1.991 33.546 31.823 -0.447 0.000 0.996 415 V HN 0.663 nan 8.190 nan 0.000 0.425 416 L N 4.505 125.667 121.223 -0.102 0.000 2.334 416 L HA 0.700 5.043 4.340 0.005 0.000 0.275 416 L C -0.691 176.043 176.870 -0.227 0.000 1.036 416 L CA -0.939 53.848 54.840 -0.088 0.000 0.807 416 L CB 1.977 43.950 42.059 -0.144 0.000 1.231 416 L HN 0.321 nan 8.230 nan 0.000 0.438 417 V N 4.212 123.969 119.914 -0.261 0.000 2.384 417 V HA 0.445 4.568 4.120 0.005 0.000 0.287 417 V C -0.124 175.780 176.094 -0.316 0.000 1.020 417 V CA -0.408 61.596 62.300 -0.494 0.000 0.850 417 V CB 1.713 33.204 31.823 -0.553 0.000 0.987 417 V HN 0.485 nan 8.190 nan 0.000 0.436 418 L N 5.672 126.698 121.223 -0.329 0.000 2.349 418 L HA 0.712 5.055 4.340 0.005 0.000 0.278 418 L C -1.001 175.701 176.870 -0.279 0.000 0.996 418 L CA -0.555 54.148 54.840 -0.229 0.000 0.825 418 L CB 1.924 43.864 42.059 -0.198 0.000 1.243 418 L HN 0.723 nan 8.230 nan 0.000 0.412 419 D N 0.881 121.134 120.400 -0.246 0.000 2.601 419 D HA 0.295 4.938 4.640 0.005 0.000 0.230 419 D C -0.929 175.245 176.300 -0.209 0.000 1.106 419 D CA -0.648 53.224 54.000 -0.212 0.000 0.873 419 D CB 1.140 41.869 40.800 -0.119 0.000 1.515 419 D HN 0.119 nan 8.370 nan 0.000 0.468 420 Y N 0.517 120.800 120.300 -0.028 0.000 2.425 420 Y HA 0.135 4.689 4.550 0.006 0.000 0.331 420 Y C 1.412 177.305 175.900 -0.012 0.000 1.157 420 Y CA 0.103 58.202 58.100 -0.002 0.000 1.372 420 Y CB 0.854 39.309 38.460 -0.010 0.000 1.253 420 Y HN 0.259 nan 8.280 nan 0.000 0.536 421 K N 2.193 122.703 120.400 0.184 0.000 2.349 421 K HA 0.103 4.426 4.320 0.005 0.000 0.288 421 K C 0.051 176.690 176.600 0.065 0.000 1.058 421 K CA 0.102 56.428 56.287 0.066 0.000 0.953 421 K CB 0.237 32.785 32.500 0.080 0.000 0.997 421 K HN 0.830 nan 8.250 nan 0.000 0.477 422 S N 3.481 119.130 115.700 -0.084 0.000 3.292 422 S HA -0.176 4.297 4.470 0.005 0.000 0.360 422 S C 0.870 175.536 174.600 0.110 0.000 0.930 422 S CA 0.305 58.458 58.200 -0.078 0.000 1.317 422 S CB -1.074 61.928 63.200 -0.329 0.000 0.920 422 S HN 0.727 nan 8.310 nan 0.000 0.540 423 L N 2.142 123.395 121.223 0.049 0.000 1.971 423 L HA -0.156 4.187 4.340 0.005 0.000 0.215 423 L C 2.012 178.982 176.870 0.166 0.000 1.072 423 L CA 2.143 57.012 54.840 0.049 0.000 0.758 423 L CB -0.661 41.353 42.059 -0.075 0.000 0.889 423 L HN 0.630 nan 8.230 nan 0.000 0.433 424 Y N -0.224 120.049 120.300 -0.045 0.000 2.128 424 Y HA -0.114 4.439 4.550 0.005 0.000 0.284 424 Y C 0.000 175.929 175.900 0.047 0.000 1.154 424 Y CA 0.954 59.022 58.100 -0.055 0.000 1.149 424 Y CB -2.569 35.815 38.460 -0.126 0.000 0.976 424 Y HN 0.312 nan 8.280 nan 0.000 0.505 425 P HA -0.128 nan 4.420 nan 0.000 0.217 425 P C 1.961 179.397 177.300 0.227 0.000 1.150 425 P CA 2.519 65.787 63.100 0.280 0.000 0.832 425 P CB -0.141 31.789 31.700 0.382 0.000 0.787 426 S N -1.180 114.708 115.700 0.313 0.000 2.402 426 S HA -0.108 4.365 4.470 0.005 0.000 0.229 426 S C 1.963 176.532 174.600 -0.051 0.000 1.021 426 S CA 0.920 59.157 58.200 0.062 0.000 0.974 426 S CB -1.535 61.755 63.200 0.150 0.000 0.800 426 S HN 0.046 nan 8.310 nan 0.000 0.484 427 I N 1.076 121.662 120.570 0.027 0.000 2.315 427 I HA -0.069 4.104 4.170 0.005 0.000 0.248 427 I C 2.319 178.448 176.117 0.020 0.000 1.117 427 I CA 1.104 62.445 61.300 0.069 0.000 1.404 427 I CB -0.264 37.739 38.000 0.005 0.000 1.071 427 I HN 0.290 nan 8.210 nan 0.000 0.419 428 I N 0.333 120.873 120.570 -0.051 0.000 2.286 428 I HA -0.281 3.892 4.170 0.005 0.000 0.248 428 I C 2.656 178.652 176.117 -0.203 0.000 1.115 428 I CA 1.352 62.571 61.300 -0.136 0.000 1.392 428 I CB -0.306 37.622 38.000 -0.120 0.000 1.065 428 I HN 0.153 nan 8.210 nan 0.000 0.418 429 R N -0.157 120.219 120.500 -0.206 0.000 2.062 429 R HA -0.089 4.253 4.340 0.005 0.000 0.229 429 R C 2.315 178.419 176.300 -0.327 0.000 1.128 429 R CA 1.887 57.817 56.100 -0.282 0.000 0.960 429 R CB -0.541 29.554 30.300 -0.341 0.000 0.855 429 R HN 0.310 nan 8.270 nan 0.000 0.432 430 T N 0.366 114.707 114.554 -0.356 0.000 2.770 430 T HA -0.050 4.303 4.350 0.005 0.000 0.263 430 T C 1.001 175.273 174.700 -0.713 0.000 1.039 430 T CA 1.180 62.944 62.100 -0.560 0.000 1.142 430 T CB -0.088 68.351 68.868 -0.715 0.000 0.868 430 T HN 0.101 nan 8.240 nan 0.000 0.435 431 F N 0.953 120.762 119.950 -0.235 0.000 2.639 431 F HA 0.466 4.996 4.527 0.004 0.000 0.300 431 F C 0.567 176.180 175.800 -0.313 0.000 1.109 431 F CA -0.464 57.400 58.000 -0.226 0.000 1.335 431 F CB -0.615 38.261 39.000 -0.207 0.000 1.014 431 F HN -0.075 nan 8.300 nan 0.000 0.537 432 L N 0.072 121.132 121.223 -0.273 0.000 3.839 432 L HA -0.256 4.087 4.340 0.005 0.000 0.416 432 L C -0.390 176.190 176.870 -0.483 0.000 1.195 432 L CA -0.204 54.403 54.840 -0.389 0.000 0.946 432 L CB -2.017 39.863 42.059 -0.298 0.000 1.891 432 L HN 0.020 nan 8.230 nan 0.000 0.963 433 I N 1.266 121.483 120.570 -0.588 0.000 2.662 433 I HA 0.148 4.321 4.170 0.005 0.000 0.285 433 I C 0.521 176.422 176.117 -0.361 0.000 1.161 433 I CA 0.932 61.726 61.300 -0.843 0.000 1.415 433 I CB 0.347 38.022 38.000 -0.543 0.000 1.385 433 I HN 0.211 nan 8.210 nan 0.000 0.552 434 D N 7.421 127.740 120.400 -0.135 0.000 2.717 434 D HA 0.385 5.028 4.640 0.005 0.000 0.223 434 D C -2.313 174.121 176.300 0.223 0.000 1.240 434 D CA -1.203 52.858 54.000 0.103 0.000 0.801 434 D CB 2.618 43.503 40.800 0.141 0.000 1.556 434 D HN 0.037 nan 8.370 nan 0.000 0.462 435 P HA -0.068 nan 4.420 nan 0.000 0.215 435 P C 1.369 178.704 177.300 0.058 0.000 1.157 435 P CA 0.469 63.684 63.100 0.191 0.000 0.859 435 P CB 0.334 32.131 31.700 0.161 0.000 0.786 436 V N -0.027 119.919 119.914 0.053 0.000 2.358 436 V HA -0.143 3.980 4.120 0.005 0.000 0.246 436 V C 2.533 178.502 176.094 -0.209 0.000 1.047 436 V CA 2.516 64.627 62.300 -0.316 0.000 1.035 436 V CB -1.808 29.934 31.823 -0.136 0.000 0.658 436 V HN 0.175 nan 8.190 nan 0.000 0.452 437 G N -0.327 108.507 108.800 0.057 0.000 2.450 437 G HA2 -0.257 3.706 3.960 0.005 0.000 0.220 437 G HA3 -0.257 3.706 3.960 0.005 0.000 0.220 437 G C 1.561 176.535 174.900 0.123 0.000 1.130 437 G CA 1.163 46.362 45.100 0.165 0.000 0.760 437 G HN 0.447 nan 8.290 nan 0.000 0.557 438 L N 0.728 122.002 121.223 0.085 0.000 2.027 438 L HA 0.051 4.394 4.340 0.005 0.000 0.206 438 L C 2.925 179.677 176.870 -0.196 0.000 1.074 438 L CA 1.351 56.090 54.840 -0.168 0.000 0.745 438 L CB -0.587 41.398 42.059 -0.123 0.000 0.898 438 L HN 0.067 nan 8.230 nan 0.000 0.433 439 V N -0.107 119.649 119.914 -0.263 0.000 2.287 439 V HA -0.314 3.809 4.120 0.005 0.000 0.248 439 V C 2.650 178.620 176.094 -0.208 0.000 1.053 439 V CA 2.077 64.178 62.300 -0.331 0.000 1.027 439 V CB -0.700 30.689 31.823 -0.724 0.000 0.646 439 V HN 0.544 nan 8.190 nan 0.000 0.447 440 E N 0.579 120.671 120.200 -0.180 0.000 2.072 440 E HA -0.093 4.260 4.350 0.005 0.000 0.191 440 E C 2.221 178.803 176.600 -0.031 0.000 0.985 440 E CA 1.441 57.809 56.400 -0.053 0.000 0.801 440 E CB -0.752 28.947 29.700 -0.002 0.000 0.750 440 E HN 0.486 nan 8.360 nan 0.000 0.452 441 G N 0.379 109.170 108.800 -0.015 0.000 2.418 441 G HA2 -0.237 3.726 3.960 0.005 0.000 0.217 441 G HA3 -0.237 3.726 3.960 0.005 0.000 0.217 441 G C 1.436 176.332 174.900 -0.007 0.000 1.158 441 G CA 1.082 46.202 45.100 0.034 0.000 0.771 441 G HN 0.183 nan 8.290 nan 0.000 0.545 442 M N 1.251 120.819 119.600 -0.054 0.000 2.279 442 M HA 0.054 4.537 4.480 0.005 0.000 0.264 442 M C 2.887 179.123 176.300 -0.107 0.000 1.062 442 M CA 0.988 56.249 55.300 -0.065 0.000 1.099 442 M CB -1.127 31.434 32.600 -0.065 0.000 1.394 442 M HN 0.329 nan 8.290 nan 0.000 0.426 443 A N -0.356 122.409 122.820 -0.093 0.000 1.969 443 A HA -0.099 4.224 4.320 0.005 0.000 0.218 443 A C 1.280 178.777 177.584 -0.145 0.000 1.169 443 A CA 1.022 53.001 52.037 -0.097 0.000 0.635 443 A CB -0.182 18.778 19.000 -0.066 0.000 0.810 443 A HN 0.629 nan 8.150 nan 0.000 0.445 444 Q N -0.151 119.549 119.800 -0.167 0.000 2.928 444 Q HA 0.178 4.521 4.340 0.005 0.000 0.353 444 Q C -2.617 173.212 176.000 -0.285 0.000 0.870 444 Q CA -1.787 53.884 55.803 -0.220 0.000 0.963 444 Q CB 1.294 29.887 28.738 -0.243 0.000 1.419 444 Q HN 0.351 nan 8.270 nan 0.000 0.396 445 P HA -0.054 nan 4.420 nan 0.000 0.235 445 P C -1.263 175.047 177.300 -1.650 0.000 1.765 445 P CA 0.437 62.787 63.100 -1.251 0.000 1.034 445 P CB -0.464 30.460 31.700 -1.293 0.000 1.984 446 D N 0.145 120.003 120.400 -0.903 0.000 2.732 446 D HA 0.302 4.944 4.640 0.005 0.000 0.229 446 D C -2.054 174.239 176.300 -0.012 0.000 1.152 446 D CA -2.401 51.289 54.000 -0.516 0.000 0.854 446 D CB 1.185 41.872 40.800 -0.187 0.000 1.590 446 D HN -0.182 nan 8.370 nan 0.000 0.468 447 P HA -0.242 nan 4.420 nan 0.000 0.220 447 P C 0.867 178.224 177.300 0.094 0.000 1.144 447 P CA 1.179 64.433 63.100 0.257 0.000 0.800 447 P CB 0.431 32.253 31.700 0.204 0.000 0.772 448 E N -1.025 119.153 120.200 -0.036 0.000 2.158 448 E HA -0.153 4.200 4.350 0.005 0.000 0.191 448 E C 1.752 178.194 176.600 -0.262 0.000 0.982 448 E CA 0.679 56.961 56.400 -0.196 0.000 0.823 448 E CB -0.031 29.452 29.700 -0.361 0.000 0.766 448 E HN 0.402 nan 8.360 nan 0.000 0.468 449 H N -1.124 117.969 119.070 0.038 0.000 2.582 449 H HA 0.281 4.840 4.556 0.005 0.000 0.269 449 H C 0.390 175.780 175.328 0.103 0.000 0.962 449 H CA 0.326 56.399 56.048 0.042 0.000 1.230 449 H CB 1.006 30.766 29.762 -0.004 0.000 1.445 449 H HN -0.051 nan 8.280 nan 0.000 0.528 450 S N -0.493 115.374 115.700 0.279 0.000 2.685 450 S HA 0.360 4.833 4.470 0.005 0.000 0.282 450 S C -0.400 174.463 174.600 0.438 0.000 1.159 450 S CA -0.739 57.683 58.200 0.371 0.000 0.833 450 S CB 3.085 66.559 63.200 0.455 0.000 1.151 450 S HN 0.148 nan 8.310 nan 0.000 0.485 451 T N 0.800 115.577 114.554 0.372 0.000 2.824 451 T HA 0.419 4.772 4.350 0.005 0.000 0.282 451 T C -1.100 173.595 174.700 -0.008 0.000 0.993 451 T CA -0.547 61.672 62.100 0.198 0.000 0.967 451 T CB 1.124 70.094 68.868 0.171 0.000 0.960 451 T HN 0.612 nan 8.240 nan 0.000 0.441 452 E N 3.143 123.039 120.200 -0.507 0.000 2.289 452 E HA 0.508 4.861 4.350 0.005 0.000 0.278 452 E C 0.678 177.036 176.600 -0.403 0.000 1.032 452 E CA -0.349 55.478 56.400 -0.956 0.000 0.854 452 E CB 0.672 29.462 29.700 -1.516 0.000 1.046 452 E HN 0.802 nan 8.360 nan 0.000 0.409 453 G N 3.929 112.607 108.800 -0.204 0.000 3.380 453 G HA2 0.240 4.203 3.960 0.005 0.000 0.188 453 G HA3 0.240 4.203 3.960 0.005 0.000 0.188 453 G C -0.731 174.071 174.900 -0.164 0.000 1.892 453 G CA -0.323 44.840 45.100 0.104 0.000 0.912 453 G HN 0.511 nan 8.290 nan 0.000 0.609 454 F N -1.452 118.444 119.950 -0.090 0.000 2.577 454 F HA 0.504 5.034 4.527 0.005 0.000 0.318 454 F C -0.453 175.294 175.800 -0.088 0.000 1.065 454 F CA -0.647 57.289 58.000 -0.107 0.000 0.929 454 F CB 2.170 41.113 39.000 -0.095 0.000 1.237 454 F HN 0.034 nan 8.300 nan 0.000 0.468 455 L N 2.732 123.999 121.223 0.073 0.000 3.533 455 L HA -0.241 4.102 4.340 0.005 0.000 0.477 455 L C -0.128 176.745 176.870 0.005 0.000 1.306 455 L CA 0.192 55.064 54.840 0.054 0.000 0.850 455 L CB -2.659 39.449 42.059 0.082 0.000 1.654 455 L HN 0.754 nan 8.230 nan 0.000 0.863 456 D N -2.781 117.595 120.400 -0.040 0.000 2.955 456 D HA -0.211 4.432 4.640 0.005 0.000 0.226 456 D C 0.875 177.178 176.300 0.004 0.000 1.178 456 D CA 1.454 55.466 54.000 0.019 0.000 0.808 456 D CB -0.542 40.326 40.800 0.113 0.000 1.099 456 D HN 0.922 nan 8.370 nan 0.000 0.421 457 A N -0.229 122.490 122.820 -0.169 0.000 2.320 457 A HA 0.456 4.779 4.320 0.005 0.000 0.287 457 A C -0.352 176.936 177.584 -0.494 0.000 1.181 457 A CA -0.289 51.588 52.037 -0.266 0.000 0.831 457 A CB 0.498 19.347 19.000 -0.253 0.000 1.102 457 A HN 0.192 nan 8.150 nan 0.000 0.513 458 W N 1.635 122.645 121.300 -0.484 0.000 2.632 458 W HA 0.648 5.311 4.660 0.006 0.000 0.328 458 W C -1.061 175.113 176.519 -0.575 0.000 1.044 458 W CA -0.307 56.817 57.345 -0.368 0.000 1.225 458 W CB 1.490 30.849 29.460 -0.168 0.000 1.396 458 W HN 0.514 nan 8.180 nan 0.000 0.499 459 F N 2.051 122.120 119.950 0.198 0.000 2.444 459 F HA 0.350 4.880 4.527 0.005 0.000 0.342 459 F C 0.759 176.661 175.800 0.170 0.000 1.121 459 F CA -1.054 57.025 58.000 0.131 0.000 0.997 459 F CB 1.605 40.642 39.000 0.060 0.000 1.130 459 F HN 0.150 nan 8.300 nan 0.000 0.454 460 S N 2.934 118.813 115.700 0.298 0.000 2.560 460 S HA 0.150 4.623 4.470 0.005 0.000 0.284 460 S C 1.327 176.107 174.600 0.301 0.000 1.327 460 S CA -0.282 58.065 58.200 0.246 0.000 1.055 460 S CB 0.652 63.950 63.200 0.163 0.000 0.868 460 S HN 0.764 nan 8.310 nan 0.000 0.506 461 R N 2.565 123.208 120.500 0.239 0.000 2.112 461 R HA 0.033 4.376 4.340 0.005 0.000 0.216 461 R C 1.864 178.263 176.300 0.165 0.000 1.080 461 R CA 1.337 57.571 56.100 0.224 0.000 0.996 461 R CB -0.098 30.288 30.300 0.144 0.000 0.902 461 R HN 0.687 nan 8.270 nan 0.000 0.449 462 E N 0.635 120.881 120.200 0.078 0.000 2.122 462 E HA -0.028 4.325 4.350 0.005 0.000 0.190 462 E C 0.435 176.932 176.600 -0.172 0.000 0.977 462 E CA 0.770 57.151 56.400 -0.033 0.000 0.820 462 E CB 0.279 29.986 29.700 0.012 0.000 0.770 462 E HN -0.035 nan 8.360 nan 0.000 0.462 463 K N 0.790 121.120 120.400 -0.117 0.000 2.483 463 K HA 0.268 4.591 4.320 0.005 0.000 0.256 463 K C -1.673 174.877 176.600 -0.083 0.000 0.961 463 K CA -0.517 55.678 56.287 -0.154 0.000 0.873 463 K CB 0.535 33.019 32.500 -0.026 0.000 1.107 463 K HN 0.123 nan 8.250 nan 0.000 0.432 464 H N -0.082 118.993 119.070 0.008 0.000 3.014 464 H HA 0.418 4.977 4.556 0.005 0.000 0.337 464 H C -0.431 174.871 175.328 -0.043 0.000 1.320 464 H CA -0.968 55.081 56.048 0.002 0.000 1.128 464 H CB 0.926 30.700 29.762 0.019 0.000 1.862 464 H HN 0.351 nan 8.280 nan 0.000 0.536 465 C N -0.250 119.129 119.300 0.132 0.000 2.683 465 C HA 0.148 4.611 4.460 0.005 0.000 0.491 465 C C 2.293 177.270 174.990 -0.023 0.000 1.342 465 C CA 0.215 59.200 59.018 -0.056 0.000 2.476 465 C CB -0.492 26.973 27.740 -0.458 0.000 3.150 465 C HN 0.785 nan 8.230 nan 0.000 0.551 466 L N 2.456 123.733 121.223 0.089 0.000 2.083 466 L HA 0.014 4.357 4.340 0.005 0.000 0.209 466 L C -0.930 175.854 176.870 -0.143 0.000 1.083 466 L CA 2.330 57.163 54.840 -0.012 0.000 0.752 466 L CB -1.444 40.640 42.059 0.041 0.000 0.899 466 L HN 0.137 nan 8.230 nan 0.000 0.433 467 P HA -0.150 nan 4.420 nan 0.000 0.215 467 P C 1.267 178.487 177.300 -0.133 0.000 1.153 467 P CA 1.334 64.313 63.100 -0.203 0.000 0.853 467 P CB 0.117 31.609 31.700 -0.345 0.000 0.788 468 E N -0.750 119.422 120.200 -0.047 0.000 2.077 468 E HA -0.129 4.224 4.350 0.005 0.000 0.193 468 E C 1.988 178.558 176.600 -0.050 0.000 0.989 468 E CA 0.951 57.331 56.400 -0.032 0.000 0.800 468 E CB -0.855 28.844 29.700 -0.001 0.000 0.746 468 E HN 0.228 nan 8.360 nan 0.000 0.452 469 I N -0.012 120.515 120.570 -0.072 0.000 2.179 469 I HA -0.248 3.925 4.170 0.005 0.000 0.242 469 I C 2.028 178.109 176.117 -0.060 0.000 1.088 469 I CA 0.761 62.031 61.300 -0.051 0.000 1.357 469 I CB -0.156 37.794 38.000 -0.082 0.000 1.051 469 I HN 0.016 nan 8.210 nan 0.000 0.409 470 V N 0.273 120.071 119.914 -0.193 0.000 2.427 470 V HA -0.260 3.863 4.120 0.005 0.000 0.248 470 V C 2.461 178.553 176.094 -0.004 0.000 1.051 470 V CA 2.306 64.514 62.300 -0.154 0.000 1.048 470 V CB -0.933 30.731 31.823 -0.264 0.000 0.666 470 V HN 0.460 nan 8.190 nan 0.000 0.456 471 T N -0.079 114.418 114.554 -0.095 0.000 2.746 471 T HA -0.193 4.160 4.350 0.005 0.000 0.267 471 T C 1.956 176.611 174.700 -0.076 0.000 1.039 471 T CA 1.594 63.587 62.100 -0.180 0.000 1.142 471 T CB -0.411 68.356 68.868 -0.168 0.000 0.866 471 T HN 0.458 nan 8.240 nan 0.000 0.444 472 N N 0.897 119.614 118.700 0.029 0.000 2.084 472 N HA -0.041 4.702 4.740 0.005 0.000 0.190 472 N C 1.932 177.528 175.510 0.143 0.000 1.030 472 N CA 1.169 54.280 53.050 0.101 0.000 0.849 472 N CB -0.197 38.336 38.487 0.077 0.000 1.012 472 N HN 0.360 nan 8.380 nan 0.000 0.423 473 I N 0.122 120.788 120.570 0.160 0.000 2.286 473 I HA -0.245 3.928 4.170 0.005 0.000 0.248 473 I C 2.395 178.634 176.117 0.203 0.000 1.115 473 I CA 0.674 62.092 61.300 0.197 0.000 1.392 473 I CB -0.275 37.891 38.000 0.277 0.000 1.065 473 I HN 0.369 nan 8.210 nan 0.000 0.418 474 W N 1.966 123.243 121.300 -0.038 0.000 2.333 474 W HA -0.237 4.426 4.660 0.004 0.000 0.316 474 W C 2.546 179.025 176.519 -0.068 0.000 1.215 474 W CA 2.043 59.329 57.345 -0.098 0.000 1.278 474 W CB -0.855 28.456 29.460 -0.249 0.000 1.154 474 W HN 0.281 nan 8.180 nan 0.000 0.486 475 H N -1.340 117.976 119.070 0.409 0.000 2.423 475 H HA -0.059 4.500 4.556 0.005 0.000 0.297 475 H C 2.494 177.919 175.328 0.162 0.000 1.075 475 H CA 1.251 57.458 56.048 0.264 0.000 1.342 475 H CB -0.666 29.196 29.762 0.167 0.000 1.395 475 H HN 0.209 nan 8.280 nan 0.000 0.530 476 G N 0.808 109.754 108.800 0.244 0.000 2.418 476 G HA2 -0.338 3.625 3.960 0.005 0.000 0.217 476 G HA3 -0.338 3.625 3.960 0.005 0.000 0.217 476 G C 1.728 176.703 174.900 0.124 0.000 1.158 476 G CA 0.908 46.106 45.100 0.164 0.000 0.771 476 G HN 0.256 nan 8.290 nan 0.000 0.545 477 R N 0.862 121.421 120.500 0.098 0.000 2.073 477 R HA -0.069 4.274 4.340 0.005 0.000 0.234 477 R C 2.070 178.393 176.300 0.039 0.000 1.134 477 R CA 1.992 58.115 56.100 0.038 0.000 0.952 477 R CB -0.608 29.665 30.300 -0.044 0.000 0.850 477 R HN 0.219 nan 8.270 nan 0.000 0.433 478 D N -0.049 120.390 120.400 0.065 0.000 2.144 478 D HA -0.163 4.480 4.640 0.005 0.000 0.199 478 D C 1.721 178.074 176.300 0.088 0.000 0.984 478 D CA 1.388 55.437 54.000 0.081 0.000 0.834 478 D CB -0.223 40.673 40.800 0.159 0.000 0.955 478 D HN 0.338 nan 8.370 nan 0.000 0.465 479 E N 1.183 121.449 120.200 0.109 0.000 2.047 479 E HA -0.090 4.263 4.350 0.005 0.000 0.191 479 E C 1.931 178.575 176.600 0.072 0.000 0.987 479 E CA 1.528 57.982 56.400 0.090 0.000 0.799 479 E CB -0.413 29.347 29.700 0.100 0.000 0.752 479 E HN 0.120 nan 8.360 nan 0.000 0.449 480 A N 0.708 123.572 122.820 0.073 0.000 1.908 480 A HA -0.250 4.072 4.320 0.005 0.000 0.218 480 A C 2.221 179.836 177.584 0.052 0.000 1.181 480 A CA 2.103 54.179 52.037 0.064 0.000 0.627 480 A CB -0.620 18.421 19.000 0.067 0.000 0.818 480 A HN 0.266 nan 8.150 nan 0.000 0.445 481 K N -0.734 119.693 120.400 0.044 0.000 2.097 481 K HA -0.099 4.224 4.320 0.005 0.000 0.205 481 K C 2.335 178.955 176.600 0.033 0.000 1.050 481 K CA 1.294 57.600 56.287 0.031 0.000 0.938 481 K CB -0.150 32.359 32.500 0.016 0.000 0.718 481 K HN 0.453 nan 8.250 nan 0.000 0.442 482 R N 0.490 121.014 120.500 0.040 0.000 2.092 482 R HA -0.097 4.246 4.340 0.005 0.000 0.231 482 R C 1.544 177.866 176.300 0.037 0.000 1.119 482 R CA 1.536 57.658 56.100 0.038 0.000 0.970 482 R CB 0.091 30.417 30.300 0.044 0.000 0.864 482 R HN 0.295 nan 8.270 nan 0.000 0.440 483 Q N -0.696 119.129 119.800 0.042 0.000 2.403 483 Q HA 0.092 4.435 4.340 0.005 0.000 0.203 483 Q C 0.403 176.427 176.000 0.040 0.000 0.932 483 Q CA 0.509 56.337 55.803 0.042 0.000 0.945 483 Q CB 0.908 29.675 28.738 0.048 0.000 1.045 483 Q HN 0.641 nan 8.270 nan 0.000 0.511 484 G N 2.727 111.549 108.800 0.038 0.000 2.221 484 G HA2 -0.249 3.714 3.960 0.005 0.000 0.265 484 G HA3 -0.249 3.714 3.960 0.005 0.000 0.265 484 G C -0.115 174.812 174.900 0.045 0.000 1.041 484 G CA 0.194 45.317 45.100 0.037 0.000 0.807 484 G HN 0.313 nan 8.290 nan 0.000 0.502 485 N N 0.346 119.077 118.700 0.051 0.000 2.767 485 N HA 0.234 4.977 4.740 0.005 0.000 0.238 485 N C 1.449 177.001 175.510 0.070 0.000 1.083 485 N CA 0.028 53.114 53.050 0.060 0.000 0.964 485 N CB 0.575 39.099 38.487 0.062 0.000 1.252 485 N HN 0.547 nan 8.380 nan 0.000 0.512 486 K N 3.627 124.070 120.400 0.072 0.000 2.044 486 K HA -0.054 4.269 4.320 0.005 0.000 0.210 486 K C -0.929 175.742 176.600 0.119 0.000 1.049 486 K CA 1.435 57.770 56.287 0.080 0.000 0.927 486 K CB -0.232 32.312 32.500 0.072 0.000 0.713 486 K HN 0.355 nan 8.250 nan 0.000 0.443 487 P HA -0.158 nan 4.420 nan 0.000 0.217 487 P C 1.458 178.878 177.300 0.200 0.000 1.151 487 P CA 0.941 64.186 63.100 0.243 0.000 0.828 487 P CB -0.004 31.844 31.700 0.246 0.000 0.788 488 L N 0.037 121.335 121.223 0.125 0.000 2.056 488 L HA -0.030 4.313 4.340 0.005 0.000 0.207 488 L C 2.661 179.589 176.870 0.095 0.000 1.078 488 L CA 1.861 56.758 54.840 0.095 0.000 0.749 488 L CB -1.566 40.541 42.059 0.079 0.000 0.901 488 L HN -0.104 nan 8.230 nan 0.000 0.433 489 S N -1.087 114.667 115.700 0.090 0.000 2.370 489 S HA -0.293 4.180 4.470 0.005 0.000 0.226 489 S C 2.056 176.705 174.600 0.082 0.000 1.033 489 S CA 1.730 59.971 58.200 0.069 0.000 1.011 489 S CB -0.313 62.917 63.200 0.051 0.000 0.852 489 S HN 0.684 nan 8.310 nan 0.000 0.457 490 Q N 0.132 120.007 119.800 0.125 0.000 2.050 490 Q HA -0.098 4.245 4.340 0.005 0.000 0.202 490 Q C 2.186 178.319 176.000 0.221 0.000 0.980 490 Q CA 1.566 57.472 55.803 0.172 0.000 0.840 490 Q CB -0.461 28.412 28.738 0.226 0.000 0.898 490 Q HN 0.644 nan 8.270 nan 0.000 0.424 491 A N 0.617 123.563 122.820 0.210 0.000 1.902 491 A HA -0.136 4.187 4.320 0.005 0.000 0.217 491 A C 2.034 179.665 177.584 0.078 0.000 1.181 491 A CA 1.179 53.286 52.037 0.116 0.000 0.623 491 A CB -0.643 18.352 19.000 -0.008 0.000 0.818 491 A HN 0.449 nan 8.150 nan 0.000 0.443 492 L N -0.576 120.692 121.223 0.074 0.000 2.141 492 L HA -0.152 4.191 4.340 0.005 0.000 0.209 492 L C 2.575 179.478 176.870 0.055 0.000 1.094 492 L CA 1.667 56.547 54.840 0.066 0.000 0.763 492 L CB -0.344 41.756 42.059 0.069 0.000 0.908 492 L HN 0.480 nan 8.230 nan 0.000 0.437 493 K N 1.077 121.506 120.400 0.048 0.000 2.026 493 K HA -0.183 4.140 4.320 0.005 0.000 0.208 493 K C 2.116 178.739 176.600 0.038 0.000 1.048 493 K CA 1.478 57.778 56.287 0.021 0.000 0.929 493 K CB -0.089 32.422 32.500 0.018 0.000 0.713 493 K HN 0.212 nan 8.250 nan 0.000 0.439 494 I N 1.162 121.778 120.570 0.076 0.000 2.179 494 I HA -0.289 3.884 4.170 0.005 0.000 0.242 494 I C 2.558 178.689 176.117 0.022 0.000 1.088 494 I CA 1.148 62.499 61.300 0.085 0.000 1.357 494 I CB -0.191 37.912 38.000 0.172 0.000 1.051 494 I HN 0.297 nan 8.210 nan 0.000 0.409 495 I N 0.215 120.778 120.570 -0.011 0.000 2.286 495 I HA -0.334 3.839 4.170 0.005 0.000 0.248 495 I C 2.530 178.508 176.117 -0.232 0.000 1.115 495 I CA 1.425 62.641 61.300 -0.140 0.000 1.392 495 I CB 0.108 38.038 38.000 -0.117 0.000 1.065 495 I HN 0.255 nan 8.210 nan 0.000 0.418 496 M N 0.447 120.061 119.600 0.022 0.000 2.175 496 M HA -0.232 4.251 4.480 0.005 0.000 0.264 496 M C 1.675 178.121 176.300 0.245 0.000 1.063 496 M CA 1.938 57.395 55.300 0.261 0.000 1.119 496 M CB -0.294 32.443 32.600 0.228 0.000 1.377 496 M HN 0.254 nan 8.290 nan 0.000 0.415 497 N N -0.222 118.542 118.700 0.107 0.000 2.459 497 N HA -0.044 4.699 4.740 0.005 0.000 0.181 497 N C 1.392 176.985 175.510 0.138 0.000 1.046 497 N CA 0.691 53.807 53.050 0.111 0.000 0.904 497 N CB -0.017 38.494 38.487 0.040 0.000 0.964 497 N HN 0.372 nan 8.380 nan 0.000 0.444 498 A N 0.382 123.231 122.820 0.047 0.000 2.072 498 A HA 0.030 4.353 4.320 0.005 0.000 0.216 498 A C 1.513 179.142 177.584 0.076 0.000 1.156 498 A CA 0.358 52.408 52.037 0.021 0.000 0.701 498 A CB -0.428 18.524 19.000 -0.079 0.000 0.816 498 A HN 0.102 nan 8.150 nan 0.000 0.458 499 F N -1.066 119.020 119.950 0.227 0.000 2.091 499 F HA -0.251 4.279 4.527 0.005 0.000 0.299 499 F C 2.186 178.111 175.800 0.209 0.000 1.103 499 F CA 1.903 60.060 58.000 0.261 0.000 1.228 499 F CB -1.065 38.101 39.000 0.277 0.000 0.984 499 F HN 0.473 nan 8.300 nan 0.000 0.477 500 Y N 0.711 121.209 120.300 0.330 0.000 2.128 500 Y HA -0.144 4.409 4.550 0.006 0.000 0.284 500 Y C 2.484 178.468 175.900 0.140 0.000 1.154 500 Y CA 1.589 59.814 58.100 0.208 0.000 1.149 500 Y CB -1.024 37.622 38.460 0.310 0.000 0.976 500 Y HN 0.008 nan 8.280 nan 0.000 0.505 501 G N -0.655 108.191 108.800 0.076 0.000 2.422 501 G HA2 -0.214 3.749 3.960 0.005 0.000 0.218 501 G HA3 -0.214 3.749 3.960 0.005 0.000 0.218 501 G C 1.722 176.574 174.900 -0.079 0.000 1.146 501 G CA 1.227 46.297 45.100 -0.050 0.000 0.769 501 G HN 0.381 nan 8.290 nan 0.000 0.547 502 V N 0.863 120.757 119.914 -0.034 0.000 2.343 502 V HA -0.089 4.034 4.120 0.005 0.000 0.247 502 V C 2.859 178.855 176.094 -0.162 0.000 1.051 502 V CA 1.333 63.575 62.300 -0.097 0.000 1.036 502 V CB -0.302 31.454 31.823 -0.113 0.000 0.654 502 V HN 0.350 nan 8.190 nan 0.000 0.451 503 L N 0.287 121.413 121.223 -0.161 0.000 2.275 503 L HA -0.006 4.337 4.340 0.005 0.000 0.215 503 L C 2.297 179.138 176.870 -0.048 0.000 1.119 503 L CA 1.353 56.103 54.840 -0.150 0.000 0.790 503 L CB -0.698 41.289 42.059 -0.119 0.000 0.919 503 L HN 0.465 nan 8.230 nan 0.000 0.443 504 G N -1.653 107.078 108.800 -0.116 0.000 3.042 504 G HA2 -0.042 3.921 3.960 0.005 0.000 0.212 504 G HA3 -0.042 3.921 3.960 0.005 0.000 0.212 504 G C 0.587 175.543 174.900 0.093 0.000 1.166 504 G CA 0.110 45.202 45.100 -0.013 0.000 0.767 504 G HN 0.177 nan 8.290 nan 0.000 0.546 505 T N -0.287 114.280 114.554 0.022 0.000 2.859 505 T HA 0.383 4.736 4.350 0.005 0.000 0.281 505 T C 1.838 176.358 174.700 -0.301 0.000 1.005 505 T CA 0.284 62.294 62.100 -0.149 0.000 1.025 505 T CB 1.394 70.200 68.868 -0.104 0.000 0.977 505 T HN 0.077 nan 8.240 nan 0.000 0.458 506 T N 1.922 116.121 114.554 -0.591 0.000 3.072 506 T HA 0.075 4.428 4.350 0.005 0.000 0.266 506 T C 2.009 176.569 174.700 -0.233 0.000 1.127 506 T CA 0.706 62.442 62.100 -0.606 0.000 1.107 506 T CB -0.276 68.253 68.868 -0.565 0.000 0.910 506 T HN 0.614 nan 8.240 nan 0.000 0.513 507 A N 0.060 122.781 122.820 -0.164 0.000 2.209 507 A HA 0.241 4.564 4.320 0.005 0.000 0.212 507 A C 1.394 178.946 177.584 -0.054 0.000 1.158 507 A CA 0.110 52.096 52.037 -0.086 0.000 0.742 507 A CB -0.923 18.040 19.000 -0.063 0.000 0.790 507 A HN 0.682 nan 8.150 nan 0.000 0.472 508 C N 0.800 120.071 119.300 -0.048 0.000 2.295 508 C HA 0.520 4.983 4.460 0.005 0.000 0.331 508 C C 2.038 177.008 174.990 -0.034 0.000 1.280 508 C CA -0.719 58.284 59.018 -0.024 0.000 1.746 508 C CB 0.353 28.069 27.740 -0.040 0.000 2.328 508 C HN 0.743 nan 8.230 nan 0.000 0.521 509 R N 2.517 122.934 120.500 -0.138 0.000 2.241 509 R HA -0.065 4.277 4.340 0.005 0.000 0.224 509 R C 0.323 176.365 176.300 -0.430 0.000 1.101 509 R CA 1.866 57.788 56.100 -0.296 0.000 0.995 509 R CB -0.373 29.670 30.300 -0.428 0.000 0.870 509 R HN 0.675 nan 8.270 nan 0.000 0.463 510 F N 0.170 120.056 119.950 -0.106 0.000 2.727 510 F HA 0.222 4.752 4.527 0.005 0.000 0.302 510 F C 0.457 176.201 175.800 -0.093 0.000 1.097 510 F CA -1.216 56.694 58.000 -0.150 0.000 1.330 510 F CB -0.102 38.754 39.000 -0.240 0.000 1.084 510 F HN -0.097 nan 8.300 nan 0.000 0.578 511 F N 2.520 122.445 119.950 -0.041 0.000 2.608 511 F HA 0.146 4.676 4.527 0.005 0.000 0.380 511 F C 0.124 175.907 175.800 -0.029 0.000 1.083 511 F CA 0.200 58.168 58.000 -0.053 0.000 1.266 511 F CB 0.179 39.136 39.000 -0.072 0.000 1.076 511 F HN -0.030 nan 8.300 nan 0.000 0.574 512 D N 7.868 127.644 120.400 -1.040 0.000 2.966 512 D HA 0.214 4.857 4.640 0.005 0.000 0.222 512 D C -2.346 173.338 176.300 -1.028 0.000 1.292 512 D CA -1.584 51.894 54.000 -0.869 0.000 0.907 512 D CB 2.523 43.122 40.800 -0.334 0.000 1.621 512 D HN 0.166 nan 8.370 nan 0.000 0.557 513 P HA -0.105 nan 4.420 nan 0.000 0.217 513 P C 1.123 178.223 177.300 -0.333 0.000 1.148 513 P CA 1.101 63.863 63.100 -0.563 0.000 0.834 513 P CB 0.301 31.665 31.700 -0.560 0.000 0.783 514 R N -1.096 119.223 120.500 -0.301 0.000 2.148 514 R HA -0.003 4.340 4.340 0.005 0.000 0.227 514 R C 2.249 178.551 176.300 0.002 0.000 1.103 514 R CA 0.795 56.823 56.100 -0.119 0.000 0.983 514 R CB -0.742 29.491 30.300 -0.111 0.000 0.874 514 R HN 0.264 nan 8.270 nan 0.000 0.451 515 L N -0.173 121.016 121.223 -0.057 0.000 1.988 515 L HA -0.114 4.229 4.340 0.005 0.000 0.207 515 L C 2.660 179.488 176.870 -0.070 0.000 1.071 515 L CA 1.396 56.236 54.840 0.001 0.000 0.744 515 L CB -0.642 41.384 42.059 -0.054 0.000 0.893 515 L HN 0.209 nan 8.230 nan 0.000 0.433 516 A N 0.231 122.974 122.820 -0.128 0.000 1.930 516 A HA -0.196 4.127 4.320 0.005 0.000 0.217 516 A C 2.513 180.049 177.584 -0.080 0.000 1.175 516 A CA 1.932 53.896 52.037 -0.122 0.000 0.627 516 A CB -0.727 18.147 19.000 -0.211 0.000 0.815 516 A HN 0.539 nan 8.150 nan 0.000 0.443 517 S N -0.460 115.184 115.700 -0.093 0.000 2.402 517 S HA -0.114 4.359 4.470 0.005 0.000 0.229 517 S C 1.986 176.452 174.600 -0.223 0.000 1.021 517 S CA 1.547 59.672 58.200 -0.125 0.000 0.974 517 S CB -0.619 62.543 63.200 -0.064 0.000 0.800 517 S HN 0.413 nan 8.310 nan 0.000 0.484 518 S N 1.894 117.528 115.700 -0.110 0.000 2.383 518 S HA 0.127 4.600 4.470 0.005 0.000 0.227 518 S C 1.748 176.163 174.600 -0.308 0.000 1.026 518 S CA 1.231 59.379 58.200 -0.086 0.000 0.981 518 S CB -0.485 62.803 63.200 0.147 0.000 0.818 518 S HN 0.522 nan 8.310 nan 0.000 0.472 519 I N 1.249 121.643 120.570 -0.294 0.000 2.163 519 I HA -0.176 3.997 4.170 0.005 0.000 0.240 519 I C 2.519 178.286 176.117 -0.583 0.000 1.081 519 I CA 1.214 62.268 61.300 -0.410 0.000 1.353 519 I CB -0.915 36.866 38.000 -0.365 0.000 1.054 519 I HN 0.250 nan 8.210 nan 0.000 0.407 520 T N 0.922 115.152 114.554 -0.540 0.000 2.720 520 T HA -0.265 4.088 4.350 0.005 0.000 0.268 520 T C 2.257 176.472 174.700 -0.808 0.000 1.037 520 T CA 2.390 64.157 62.100 -0.554 0.000 1.144 520 T CB -0.529 68.153 68.868 -0.310 0.000 0.864 520 T HN 0.467 nan 8.240 nan 0.000 0.444 521 M N 1.310 120.349 119.600 -0.935 0.000 2.175 521 M HA 0.184 4.667 4.480 0.005 0.000 0.264 521 M C 2.335 178.034 176.300 -1.001 0.000 1.063 521 M CA 2.215 56.762 55.300 -1.255 0.000 1.119 521 M CB -1.396 29.923 32.600 -2.135 0.000 1.377 521 M HN 0.188 nan 8.290 nan 0.000 0.415 522 R N 0.935 120.928 120.500 -0.845 0.000 2.096 522 R HA 0.045 4.388 4.340 0.005 0.000 0.235 522 R C 2.412 178.500 176.300 -0.355 0.000 1.127 522 R CA 2.145 57.941 56.100 -0.506 0.000 0.968 522 R CB -1.556 28.386 30.300 -0.596 0.000 0.861 522 R HN 0.545 nan 8.270 nan 0.000 0.440 523 G N -0.616 107.999 108.800 -0.309 0.000 2.440 523 G HA2 -0.277 3.686 3.960 0.005 0.000 0.218 523 G HA3 -0.277 3.686 3.960 0.005 0.000 0.218 523 G C 1.182 176.080 174.900 -0.003 0.000 1.154 523 G CA 1.195 46.231 45.100 -0.107 0.000 0.767 523 G HN 0.544 nan 8.290 nan 0.000 0.552 524 H N -0.431 118.582 119.070 -0.096 0.000 2.319 524 H HA -0.083 4.477 4.556 0.005 0.000 0.299 524 H C 2.772 178.064 175.328 -0.060 0.000 1.092 524 H CA 1.193 57.248 56.048 0.011 0.000 1.302 524 H CB 0.073 29.889 29.762 0.090 0.000 1.373 524 H HN 0.359 nan 8.280 nan 0.000 0.497 525 Q N 0.659 120.517 119.800 0.096 0.000 2.061 525 Q HA -0.162 4.181 4.340 0.005 0.000 0.204 525 Q C 2.429 178.493 176.000 0.108 0.000 0.984 525 Q CA 1.438 57.309 55.803 0.114 0.000 0.846 525 Q CB 0.014 28.825 28.738 0.122 0.000 0.902 525 Q HN 0.471 nan 8.270 nan 0.000 0.421 526 I N 0.029 120.601 120.570 0.003 0.000 2.163 526 I HA -0.320 3.853 4.170 0.005 0.000 0.243 526 I C 2.255 178.401 176.117 0.048 0.000 1.085 526 I CA 0.868 62.182 61.300 0.023 0.000 1.347 526 I CB -0.176 37.587 38.000 -0.396 0.000 1.044 526 I HN 0.339 nan 8.210 nan 0.000 0.408 527 M N -0.347 119.116 119.600 -0.227 0.000 2.175 527 M HA -0.160 4.323 4.480 0.005 0.000 0.264 527 M C 2.370 178.390 176.300 -0.467 0.000 1.063 527 M CA 1.550 56.567 55.300 -0.472 0.000 1.119 527 M CB -1.214 30.668 32.600 -1.197 0.000 1.377 527 M HN 0.164 nan 8.290 nan 0.000 0.415 528 R N -0.148 120.143 120.500 -0.349 0.000 2.075 528 R HA -0.191 4.152 4.340 0.005 0.000 0.232 528 R C 2.269 178.572 176.300 0.004 0.000 1.126 528 R CA 1.472 57.546 56.100 -0.043 0.000 0.963 528 R CB -0.095 30.271 30.300 0.110 0.000 0.858 528 R HN 0.227 nan 8.270 nan 0.000 0.435 529 Q N -0.313 119.514 119.800 0.044 0.000 2.119 529 Q HA -0.090 4.253 4.340 0.005 0.000 0.201 529 Q C 1.617 177.539 176.000 -0.131 0.000 0.972 529 Q CA 2.163 57.941 55.803 -0.042 0.000 0.847 529 Q CB -0.144 28.629 28.738 0.058 0.000 0.903 529 Q HN 0.229 nan 8.270 nan 0.000 0.433 530 T N 0.339 114.921 114.554 0.046 0.000 2.746 530 T HA -0.153 4.200 4.350 0.005 0.000 0.267 530 T C 1.563 176.249 174.700 -0.023 0.000 1.039 530 T CA 1.508 63.644 62.100 0.060 0.000 1.142 530 T CB -0.209 68.800 68.868 0.235 0.000 0.866 530 T HN 0.372 nan 8.240 nan 0.000 0.444 531 K N 1.151 121.545 120.400 -0.009 0.000 2.057 531 K HA -0.035 4.288 4.320 0.005 0.000 0.207 531 K C 2.511 179.096 176.600 -0.024 0.000 1.049 531 K CA 1.249 57.543 56.287 0.013 0.000 0.931 531 K CB -0.338 32.202 32.500 0.067 0.000 0.714 531 K HN 0.267 nan 8.250 nan 0.000 0.440 532 A N 1.382 124.163 122.820 -0.065 0.000 1.902 532 A HA -0.128 4.195 4.320 0.005 0.000 0.217 532 A C 2.135 179.627 177.584 -0.153 0.000 1.181 532 A CA 1.365 53.342 52.037 -0.099 0.000 0.623 532 A CB -0.630 18.294 19.000 -0.126 0.000 0.818 532 A HN 0.334 nan 8.150 nan 0.000 0.443 533 L N -0.679 120.400 121.223 -0.240 0.000 2.017 533 L HA -0.190 4.153 4.340 0.005 0.000 0.208 533 L C 2.500 179.317 176.870 -0.088 0.000 1.073 533 L CA 1.434 56.126 54.840 -0.246 0.000 0.745 533 L CB -0.540 41.294 42.059 -0.375 0.000 0.894 533 L HN 0.375 nan 8.230 nan 0.000 0.432 534 I N -0.392 120.149 120.570 -0.049 0.000 2.286 534 I HA -0.259 3.914 4.170 0.005 0.000 0.248 534 I C 2.386 178.513 176.117 0.017 0.000 1.115 534 I CA 1.276 62.584 61.300 0.013 0.000 1.392 534 I CB -0.260 37.752 38.000 0.020 0.000 1.065 534 I HN 0.296 nan 8.210 nan 0.000 0.418 535 E N 0.949 121.140 120.200 -0.015 0.000 2.106 535 E HA -0.154 4.199 4.350 0.005 0.000 0.192 535 E C 2.322 178.873 176.600 -0.082 0.000 0.984 535 E CA 1.096 57.478 56.400 -0.030 0.000 0.806 535 E CB -0.159 29.532 29.700 -0.014 0.000 0.750 535 E HN 0.492 nan 8.360 nan 0.000 0.458 536 A N 1.063 123.830 122.820 -0.088 0.000 2.070 536 A HA -0.162 4.161 4.320 0.005 0.000 0.220 536 A C 1.899 179.394 177.584 -0.148 0.000 1.159 536 A CA 1.020 52.995 52.037 -0.104 0.000 0.656 536 A CB -0.055 18.890 19.000 -0.092 0.000 0.800 536 A HN 0.077 nan 8.150 nan 0.000 0.453 537 Q N -1.419 118.281 119.800 -0.166 0.000 2.360 537 Q HA 0.191 4.534 4.340 0.005 0.000 0.202 537 Q C 1.032 176.776 176.000 -0.426 0.000 0.915 537 Q CA 0.714 56.376 55.803 -0.236 0.000 0.943 537 Q CB 0.277 28.924 28.738 -0.152 0.000 1.064 537 Q HN 0.958 nan 8.270 nan 0.000 0.511 538 G N 0.309 108.869 108.800 -0.401 0.000 2.131 538 G HA2 -0.247 3.716 3.960 0.005 0.000 0.223 538 G HA3 -0.247 3.716 3.960 0.005 0.000 0.223 538 G C -0.499 173.954 174.900 -0.743 0.000 0.990 538 G CA -0.199 44.564 45.100 -0.561 0.000 0.671 538 G HN 0.237 nan 8.290 nan 0.000 0.521 539 Y N 0.119 120.349 120.300 -0.118 0.000 2.524 539 Y HA 0.635 5.184 4.550 -0.002 0.000 0.344 539 Y C 0.079 175.945 175.900 -0.057 0.000 1.012 539 Y CA -1.457 56.569 58.100 -0.123 0.000 1.068 539 Y CB 1.356 39.729 38.460 -0.145 0.000 1.249 539 Y HN 0.008 nan 8.280 nan 0.000 0.468 540 D N 0.724 121.218 120.400 0.157 0.000 2.256 540 D HA 0.420 5.063 4.640 0.005 0.000 0.250 540 D C -1.010 175.403 176.300 0.188 0.000 1.093 540 D CA -0.116 53.998 54.000 0.191 0.000 0.882 540 D CB 1.576 42.585 40.800 0.348 0.000 1.185 540 D HN 0.151 nan 8.370 nan 0.000 0.437 541 V N 4.022 124.026 119.914 0.150 0.000 2.333 541 V HA 0.159 4.282 4.120 0.005 0.000 0.274 541 V C 1.349 177.529 176.094 0.143 0.000 1.028 541 V CA -0.456 61.921 62.300 0.128 0.000 0.851 541 V CB 1.010 32.899 31.823 0.109 0.000 1.000 541 V HN 0.534 nan 8.190 nan 0.000 0.456 542 I N 2.345 122.984 120.570 0.116 0.000 3.728 542 I HA 0.384 4.557 4.170 0.005 0.000 0.307 542 I C 0.190 176.421 176.117 0.190 0.000 1.276 542 I CA 0.575 61.928 61.300 0.088 0.000 1.285 542 I CB 0.207 38.123 38.000 -0.140 0.000 1.038 542 I HN 0.519 nan 8.210 nan 0.000 0.445 543 Y N 0.582 120.910 120.300 0.046 0.000 2.732 543 Y HA 0.626 5.179 4.550 0.004 0.000 0.342 543 Y C -1.113 174.920 175.900 0.221 0.000 1.203 543 Y CA -0.913 57.210 58.100 0.038 0.000 1.092 543 Y CB 1.315 39.661 38.460 -0.191 0.000 1.345 543 Y HN 0.028 nan 8.280 nan 0.000 0.458 544 G N 2.999 111.343 108.800 -0.760 0.000 2.750 544 G HA2 0.497 4.460 3.960 0.005 0.000 0.298 544 G HA3 0.497 4.460 3.960 0.005 0.000 0.298 544 G C -1.954 172.654 174.900 -0.487 0.000 1.412 544 G CA -0.373 44.555 45.100 -0.288 0.000 1.078 544 G HN 0.746 nan 8.290 nan 0.000 0.573 545 D N -0.213 120.097 120.400 -0.149 0.000 2.602 545 D HA 0.451 5.094 4.640 0.005 0.000 0.228 545 D C 1.596 178.013 176.300 0.194 0.000 1.202 545 D CA 0.354 54.346 54.000 -0.013 0.000 1.084 545 D CB -0.319 40.534 40.800 0.089 0.000 1.204 545 D HN 0.168 nan 8.370 nan 0.000 0.629 546 T N -0.728 113.909 114.554 0.139 0.000 2.699 546 T HA -0.107 4.246 4.350 0.005 0.000 0.268 546 T C 0.502 175.242 174.700 0.068 0.000 1.036 546 T CA 2.239 64.406 62.100 0.111 0.000 1.147 546 T CB -0.455 68.415 68.868 0.003 0.000 0.862 546 T HN 0.692 nan 8.240 nan 0.000 0.446 547 D N -1.167 119.274 120.400 0.067 0.000 2.516 547 D HA 0.179 4.822 4.640 0.005 0.000 0.241 547 D C -0.107 176.272 176.300 0.130 0.000 1.246 547 D CA -0.237 53.825 54.000 0.104 0.000 0.808 547 D CB 0.028 40.841 40.800 0.021 0.000 1.147 547 D HN 0.089 nan 8.370 nan 0.000 0.527 548 S N -0.344 115.424 115.700 0.113 0.000 2.503 548 S HA 0.718 5.191 4.470 0.005 0.000 0.301 548 S C -0.645 173.997 174.600 0.071 0.000 1.087 548 S CA -0.518 57.706 58.200 0.039 0.000 1.042 548 S CB 2.002 65.236 63.200 0.058 0.000 1.043 548 S HN 0.096 nan 8.310 nan 0.000 0.489 549 T N 2.898 117.388 114.554 -0.106 0.000 2.824 549 T HA 0.535 4.888 4.350 0.005 0.000 0.282 549 T C -1.005 173.571 174.700 -0.206 0.000 0.993 549 T CA -0.326 61.769 62.100 -0.009 0.000 0.967 549 T CB 0.324 69.172 68.868 -0.034 0.000 0.960 549 T HN 0.396 nan 8.240 nan 0.000 0.441 550 F N 2.015 121.919 119.950 -0.076 0.000 2.388 550 F HA 0.539 5.068 4.527 0.002 0.000 0.358 550 F C 0.042 175.742 175.800 -0.166 0.000 1.122 550 F CA -1.037 56.859 58.000 -0.174 0.000 1.056 550 F CB 1.243 40.120 39.000 -0.205 0.000 1.155 550 F HN 0.167 nan 8.300 nan 0.000 0.461 551 V N 3.024 122.880 119.914 -0.097 0.000 2.384 551 V HA 0.159 4.281 4.120 0.005 0.000 0.287 551 V C -0.811 175.257 176.094 -0.043 0.000 1.020 551 V CA -0.876 61.383 62.300 -0.067 0.000 0.850 551 V CB 1.184 32.919 31.823 -0.146 0.000 0.987 551 V HN 0.701 nan 8.190 nan 0.000 0.436 552 W N 5.797 126.989 121.300 -0.179 0.000 2.322 552 W HA 0.480 5.136 4.660 -0.007 0.000 0.307 552 W C 0.176 176.673 176.519 -0.037 0.000 1.220 552 W CA -1.147 56.111 57.345 -0.145 0.000 1.210 552 W CB 1.113 30.503 29.460 -0.117 0.000 1.223 552 W HN 0.416 nan 8.180 nan 0.000 0.511 553 L N 6.719 127.845 121.223 -0.161 0.000 2.645 553 L HA 0.064 4.407 4.340 0.005 0.000 0.235 553 L C 1.349 177.957 176.870 -0.437 0.000 1.150 553 L CA 0.393 55.038 54.840 -0.324 0.000 0.911 553 L CB -1.321 40.468 42.059 -0.450 0.000 1.077 553 L HN 0.593 nan 8.230 nan 0.000 0.438 554 K N -0.657 118.942 120.400 -1.335 0.000 3.209 554 K HA -0.171 4.152 4.320 0.005 0.000 0.289 554 K C 0.600 176.828 176.600 -0.620 0.000 1.191 554 K CA 0.554 55.901 56.287 -1.566 0.000 0.851 554 K CB -1.723 30.333 32.500 -0.741 0.000 1.242 554 K HN 0.577 nan 8.250 nan 0.000 0.480 555 G N -1.268 107.421 108.800 -0.184 0.000 2.350 555 G HA2 0.430 4.392 3.960 0.005 0.000 0.304 555 G HA3 0.430 4.392 3.960 0.005 0.000 0.304 555 G C -1.427 173.657 174.900 0.305 0.000 1.421 555 G CA -0.493 44.708 45.100 0.168 0.000 0.934 555 G HN 0.437 nan 8.290 nan 0.000 0.632 556 A N 0.236 123.193 122.820 0.229 0.000 2.477 556 A HA 0.681 5.004 4.320 0.005 0.000 0.246 556 A C -0.070 177.595 177.584 0.134 0.000 1.078 556 A CA 0.450 52.621 52.037 0.223 0.000 0.770 556 A CB 0.132 19.219 19.000 0.146 0.000 1.011 556 A HN 0.962 nan 8.150 nan 0.000 0.494 557 H N 0.136 119.252 119.070 0.076 0.000 2.797 557 H HA 0.523 5.097 4.556 0.031 0.000 0.372 557 H C 0.443 175.787 175.328 0.027 0.000 1.168 557 H CA 0.267 56.317 56.048 0.003 0.000 1.163 557 H CB 1.753 31.457 29.762 -0.097 0.000 1.778 557 H HN 0.796 nan 8.280 nan 0.000 0.551 558 S N 0.928 116.685 115.700 0.094 0.000 2.579 558 S HA 0.016 4.489 4.470 0.005 0.000 0.275 558 S C 1.029 175.671 174.600 0.071 0.000 1.345 558 S CA -0.596 57.648 58.200 0.074 0.000 1.031 558 S CB 0.892 64.110 63.200 0.031 0.000 0.892 558 S HN 0.655 nan 8.310 nan 0.000 0.529 559 E N 1.241 121.503 120.200 0.103 0.000 2.118 559 E HA -0.199 4.154 4.350 0.005 0.000 0.195 559 E C 1.833 178.447 176.600 0.024 0.000 0.992 559 E CA 1.629 58.098 56.400 0.114 0.000 0.804 559 E CB -0.386 29.387 29.700 0.122 0.000 0.741 559 E HN 0.958 nan 8.360 nan 0.000 0.458 560 E N 0.740 120.948 120.200 0.014 0.000 2.047 560 E HA -0.177 4.176 4.350 0.005 0.000 0.191 560 E C 2.003 178.579 176.600 -0.040 0.000 0.987 560 E CA 0.880 57.276 56.400 -0.007 0.000 0.799 560 E CB 0.107 29.807 29.700 0.000 0.000 0.752 560 E HN 0.182 nan 8.360 nan 0.000 0.449 561 E N -0.092 120.089 120.200 -0.031 0.000 2.077 561 E HA -0.194 4.158 4.350 0.005 0.000 0.193 561 E C 2.012 178.527 176.600 -0.143 0.000 0.989 561 E CA 0.895 57.276 56.400 -0.033 0.000 0.800 561 E CB -0.102 29.643 29.700 0.075 0.000 0.746 561 E HN 0.358 nan 8.360 nan 0.000 0.452 562 A N 1.350 124.027 122.820 -0.240 0.000 1.902 562 A HA -0.126 4.197 4.320 0.005 0.000 0.217 562 A C 2.367 179.688 177.584 -0.439 0.000 1.181 562 A CA 1.853 53.590 52.037 -0.499 0.000 0.623 562 A CB -0.518 17.862 19.000 -1.033 0.000 0.818 562 A HN 0.304 nan 8.150 nan 0.000 0.443 563 A N -0.171 122.503 122.820 -0.244 0.000 1.898 563 A HA -0.140 4.183 4.320 0.005 0.000 0.216 563 A C 2.105 179.521 177.584 -0.280 0.000 1.181 563 A CA 1.717 53.656 52.037 -0.163 0.000 0.620 563 A CB -0.403 18.614 19.000 0.027 0.000 0.819 563 A HN 0.552 nan 8.150 nan 0.000 0.442 564 K N -0.426 119.850 120.400 -0.206 0.000 2.026 564 K HA -0.090 4.233 4.320 0.005 0.000 0.208 564 K C 1.819 178.265 176.600 -0.257 0.000 1.048 564 K CA 1.626 57.806 56.287 -0.178 0.000 0.929 564 K CB -0.426 32.005 32.500 -0.115 0.000 0.713 564 K HN 0.510 nan 8.250 nan 0.000 0.439 565 I N 0.895 121.271 120.570 -0.323 0.000 2.226 565 I HA -0.222 3.951 4.170 0.005 0.000 0.245 565 I C 2.541 178.351 176.117 -0.512 0.000 1.100 565 I CA 1.442 62.512 61.300 -0.382 0.000 1.374 565 I CB -0.659 37.051 38.000 -0.484 0.000 1.057 565 I HN 0.311 nan 8.210 nan 0.000 0.413 566 G N 0.567 108.896 108.800 -0.786 0.000 2.446 566 G HA2 -0.230 3.733 3.960 0.005 0.000 0.217 566 G HA3 -0.230 3.733 3.960 0.005 0.000 0.217 566 G C 1.816 176.301 174.900 -0.691 0.000 1.168 566 G CA 0.511 44.923 45.100 -1.147 0.000 0.771 566 G HN 0.289 nan 8.290 nan 0.000 0.551 567 R N 0.420 120.620 120.500 -0.500 0.000 2.092 567 R HA 0.055 4.398 4.340 0.005 0.000 0.231 567 R C 3.021 179.239 176.300 -0.136 0.000 1.119 567 R CA 1.070 57.052 56.100 -0.197 0.000 0.970 567 R CB -0.348 29.888 30.300 -0.107 0.000 0.864 567 R HN 0.361 nan 8.270 nan 0.000 0.440 568 A N 1.293 124.017 122.820 -0.160 0.000 1.898 568 A HA -0.101 4.222 4.320 0.005 0.000 0.216 568 A C 2.186 179.735 177.584 -0.057 0.000 1.181 568 A CA 0.997 52.981 52.037 -0.088 0.000 0.620 568 A CB -0.482 18.462 19.000 -0.093 0.000 0.819 568 A HN 0.157 nan 8.150 nan 0.000 0.442 569 L N 0.077 121.224 121.223 -0.125 0.000 2.012 569 L HA -0.190 4.153 4.340 0.005 0.000 0.210 569 L C 2.731 179.596 176.870 -0.009 0.000 1.073 569 L CA 1.750 56.547 54.840 -0.072 0.000 0.748 569 L CB -0.659 41.300 42.059 -0.168 0.000 0.891 569 L HN 0.479 nan 8.230 nan 0.000 0.431 570 V N -3.178 116.706 119.914 -0.049 0.000 2.515 570 V HA -0.229 3.894 4.120 0.005 0.000 0.250 570 V C 2.349 178.471 176.094 0.047 0.000 1.058 570 V CA 1.488 63.783 62.300 -0.008 0.000 1.064 570 V CB -0.712 31.101 31.823 -0.017 0.000 0.675 570 V HN 0.492 nan 8.190 nan 0.000 0.461 571 Q N 0.672 120.501 119.800 0.048 0.000 2.119 571 Q HA -0.282 4.061 4.340 0.005 0.000 0.201 571 Q C 2.284 178.345 176.000 0.103 0.000 0.972 571 Q CA 2.556 58.401 55.803 0.070 0.000 0.847 571 Q CB -0.484 28.285 28.738 0.052 0.000 0.903 571 Q HN 0.924 nan 8.270 nan 0.000 0.433 572 H N -0.106 118.978 119.070 0.024 0.000 2.326 572 H HA -0.051 4.509 4.556 0.006 0.000 0.301 572 H C 1.993 177.364 175.328 0.072 0.000 1.081 572 H CA 2.085 58.155 56.048 0.038 0.000 1.334 572 H CB -0.123 29.640 29.762 0.002 0.000 1.385 572 H HN 0.039 nan 8.280 nan 0.000 0.504 573 V N 1.062 120.981 119.914 0.008 0.000 2.343 573 V HA -0.260 3.863 4.120 0.005 0.000 0.247 573 V C 2.095 178.282 176.094 0.155 0.000 1.051 573 V CA 1.976 64.266 62.300 -0.018 0.000 1.036 573 V CB -0.501 31.375 31.823 0.089 0.000 0.654 573 V HN 0.551 nan 8.190 nan 0.000 0.451 574 N N 0.558 119.381 118.700 0.204 0.000 2.166 574 N HA -0.106 4.637 4.740 0.005 0.000 0.186 574 N C 1.832 177.468 175.510 0.210 0.000 1.019 574 N CA 1.646 54.864 53.050 0.279 0.000 0.856 574 N CB -0.433 38.167 38.487 0.189 0.000 0.993 574 N HN 0.504 nan 8.380 nan 0.000 0.426 575 A N -0.458 122.424 122.820 0.102 0.000 1.929 575 A HA -0.102 4.221 4.320 0.005 0.000 0.216 575 A C 2.163 179.761 177.584 0.023 0.000 1.176 575 A CA 0.774 52.841 52.037 0.051 0.000 0.628 575 A CB -0.988 18.026 19.000 0.023 0.000 0.816 575 A HN 0.476 nan 8.150 nan 0.000 0.444 576 W N -0.551 120.604 121.300 -0.241 0.000 2.358 576 W HA -0.196 4.468 4.660 0.007 0.000 0.303 576 W C 1.922 178.302 176.519 -0.232 0.000 1.208 576 W CA 1.870 59.014 57.345 -0.335 0.000 1.274 576 W CB -0.370 28.746 29.460 -0.573 0.000 1.138 576 W HN 0.465 nan 8.180 nan 0.000 0.515 577 W N -0.029 121.433 121.300 0.269 0.000 2.358 577 W HA -0.163 4.500 4.660 0.005 0.000 0.303 577 W C 2.623 179.108 176.519 -0.056 0.000 1.208 577 W CA 1.777 59.212 57.345 0.149 0.000 1.274 577 W CB -1.003 28.577 29.460 0.200 0.000 1.138 577 W HN -0.062 nan 8.180 nan 0.000 0.515 578 A N 0.385 123.311 122.820 0.177 0.000 1.877 578 A HA -0.220 4.103 4.320 0.005 0.000 0.216 578 A C 1.907 179.457 177.584 -0.056 0.000 1.186 578 A CA 1.807 53.870 52.037 0.043 0.000 0.620 578 A CB -0.682 18.337 19.000 0.032 0.000 0.822 578 A HN 0.187 nan 8.150 nan 0.000 0.443 579 E N -0.427 119.697 120.200 -0.127 0.000 2.047 579 E HA -0.118 4.235 4.350 0.005 0.000 0.191 579 E C 2.216 178.650 176.600 -0.276 0.000 0.987 579 E CA 1.726 58.008 56.400 -0.197 0.000 0.799 579 E CB -0.993 28.562 29.700 -0.242 0.000 0.752 579 E HN 0.589 nan 8.360 nan 0.000 0.449 580 T N 2.340 116.614 114.554 -0.465 0.000 2.652 580 T HA -0.109 4.244 4.350 0.005 0.000 0.267 580 T C 2.130 176.702 174.700 -0.213 0.000 1.039 580 T CA 0.977 62.761 62.100 -0.526 0.000 1.153 580 T CB -0.311 67.922 68.868 -1.058 0.000 0.863 580 T HN 0.081 nan 8.240 nan 0.000 0.428 581 L N 1.354 122.530 121.223 -0.078 0.000 2.275 581 L HA -0.118 4.225 4.340 0.005 0.000 0.215 581 L C 2.918 179.750 176.870 -0.064 0.000 1.119 581 L CA 1.145 55.975 54.840 -0.016 0.000 0.790 581 L CB -0.669 41.387 42.059 -0.006 0.000 0.919 581 L HN 0.465 nan 8.230 nan 0.000 0.443 582 Q N 0.747 120.497 119.800 -0.083 0.000 2.224 582 Q HA -0.217 4.126 4.340 0.005 0.000 0.203 582 Q C 1.822 177.782 176.000 -0.066 0.000 0.970 582 Q CA 1.308 57.065 55.803 -0.076 0.000 0.865 582 Q CB -0.104 28.588 28.738 -0.077 0.000 0.922 582 Q HN 0.396 nan 8.270 nan 0.000 0.445 583 K N 0.261 120.616 120.400 -0.075 0.000 2.280 583 K HA -0.121 4.202 4.320 0.005 0.000 0.202 583 K C 1.580 178.160 176.600 -0.033 0.000 1.047 583 K CA 1.360 57.612 56.287 -0.059 0.000 0.942 583 K CB 0.116 32.571 32.500 -0.074 0.000 0.739 583 K HN 0.426 nan 8.250 nan 0.000 0.457 584 Q N 0.147 119.933 119.800 -0.023 0.000 2.280 584 Q HA 0.137 4.480 4.340 0.005 0.000 0.201 584 Q C -0.541 175.454 176.000 -0.008 0.000 0.890 584 Q CA -0.199 55.605 55.803 0.002 0.000 0.947 584 Q CB 0.749 29.505 28.738 0.031 0.000 1.081 584 Q HN 0.080 nan 8.270 nan 0.000 0.502 585 R N -0.173 120.310 120.500 -0.028 0.000 3.531 585 R HA -0.163 4.180 4.340 0.005 0.000 0.280 585 R C -0.938 175.332 176.300 -0.049 0.000 1.130 585 R CA 0.603 56.683 56.100 -0.034 0.000 0.757 585 R CB -2.699 27.590 30.300 -0.019 0.000 1.218 585 R HN 0.283 nan 8.270 nan 0.000 0.454 586 L N -0.110 121.065 121.223 -0.079 0.000 2.342 586 L HA 0.493 4.836 4.340 0.005 0.000 0.271 586 L C 0.482 177.258 176.870 -0.156 0.000 1.008 586 L CA -0.744 54.012 54.840 -0.140 0.000 0.818 586 L CB 2.257 44.187 42.059 -0.215 0.000 1.296 586 L HN -0.111 nan 8.230 nan 0.000 0.427 587 T N 0.665 115.109 114.554 -0.184 0.000 2.770 587 T HA 0.151 4.504 4.350 0.005 0.000 0.297 587 T C 0.011 174.579 174.700 -0.221 0.000 0.997 587 T CA -0.268 61.734 62.100 -0.163 0.000 0.949 587 T CB 1.239 70.028 68.868 -0.132 0.000 0.941 587 T HN 0.518 nan 8.240 nan 0.000 0.457 588 S N 2.284 117.878 115.700 -0.177 0.000 2.510 588 S HA 0.401 4.874 4.470 0.005 0.000 0.279 588 S C 0.995 175.488 174.600 -0.178 0.000 1.284 588 S CA -0.489 57.598 58.200 -0.187 0.000 1.059 588 S CB 0.136 63.311 63.200 -0.042 0.000 0.901 588 S HN 0.821 nan 8.310 nan 0.000 0.491 589 A N 5.692 128.360 122.820 -0.253 0.000 2.503 589 A HA 0.393 4.716 4.320 0.005 0.000 0.263 589 A C 0.422 177.886 177.584 -0.200 0.000 1.258 589 A CA -0.416 51.446 52.037 -0.293 0.000 0.936 589 A CB -0.032 18.681 19.000 -0.479 0.000 1.070 589 A HN 0.766 nan 8.150 nan 0.000 0.522 590 L N 0.738 121.879 121.223 -0.138 0.000 2.453 590 L HA 0.268 4.611 4.340 0.005 0.000 0.272 590 L C 0.408 177.367 176.870 0.148 0.000 1.182 590 L CA 0.258 55.061 54.840 -0.062 0.000 0.858 590 L CB 0.548 42.418 42.059 -0.314 0.000 1.120 590 L HN 0.414 nan 8.230 nan 0.000 0.474 591 E N 3.563 123.952 120.200 0.314 0.000 2.528 591 E HA 0.250 4.603 4.350 0.005 0.000 0.277 591 E C -1.473 175.290 176.600 0.271 0.000 0.980 591 E CA -0.757 55.823 56.400 0.300 0.000 0.796 591 E CB 1.498 31.374 29.700 0.293 0.000 1.427 591 E HN 0.387 nan 8.360 nan 0.000 0.394 592 L N 3.280 124.569 121.223 0.111 0.000 2.397 592 L HA 0.387 4.730 4.340 0.005 0.000 0.271 592 L C -0.574 176.239 176.870 -0.096 0.000 1.148 592 L CA 0.522 55.194 54.840 -0.281 0.000 0.825 592 L CB 0.921 42.724 42.059 -0.427 0.000 1.117 592 L HN 0.512 nan 8.230 nan 0.000 0.456 593 E N 2.777 122.904 120.200 -0.123 0.000 2.312 593 E HA 0.191 4.544 4.350 0.005 0.000 0.267 593 E C -1.800 174.780 176.600 -0.033 0.000 0.894 593 E CA -0.854 55.520 56.400 -0.044 0.000 0.773 593 E CB 1.969 31.644 29.700 -0.042 0.000 1.241 593 E HN 0.494 nan 8.360 nan 0.000 0.432 594 Y N 2.192 122.411 120.300 -0.135 0.000 2.477 594 Y HA 0.123 4.676 4.550 0.004 0.000 0.349 594 Y C 0.756 176.559 175.900 -0.160 0.000 0.977 594 Y CA -0.146 57.856 58.100 -0.162 0.000 1.214 594 Y CB 0.598 38.972 38.460 -0.143 0.000 1.124 594 Y HN 0.693 nan 8.280 nan 0.000 0.521 595 E N 2.901 122.849 120.200 -0.420 0.000 2.075 595 E HA 0.106 4.459 4.350 0.005 0.000 0.190 595 E C -0.442 175.766 176.600 -0.653 0.000 0.969 595 E CA 0.922 57.036 56.400 -0.476 0.000 0.815 595 E CB 0.472 29.994 29.700 -0.297 0.000 0.776 595 E HN 0.668 nan 8.360 nan 0.000 0.457 596 T N -1.144 112.998 114.554 -0.686 0.000 2.885 596 T HA 0.164 4.517 4.350 0.005 0.000 0.322 596 T C -1.633 172.809 174.700 -0.430 0.000 1.387 596 T CA -0.707 60.996 62.100 -0.661 0.000 1.041 596 T CB 1.499 69.896 68.868 -0.786 0.000 1.287 596 T HN 0.215 nan 8.240 nan 0.000 0.491 597 H N 1.899 120.700 119.070 -0.448 0.000 2.708 597 H HA 0.507 5.063 4.556 -0.001 0.000 0.320 597 H C -1.488 173.675 175.328 -0.275 0.000 0.991 597 H CA -0.802 55.119 56.048 -0.211 0.000 1.243 597 H CB 0.342 30.095 29.762 -0.015 0.000 1.446 597 H HN 0.360 nan 8.280 nan 0.000 0.502 598 F N 5.052 124.844 119.950 -0.263 0.000 2.391 598 F HA 0.110 4.638 4.527 0.000 0.000 0.359 598 F C 1.774 177.320 175.800 -0.424 0.000 1.122 598 F CA -0.751 57.072 58.000 -0.294 0.000 1.120 598 F CB 0.731 39.723 39.000 -0.013 0.000 1.142 598 F HN 0.666 nan 8.300 nan 0.000 0.483 599 C N 1.270 120.370 119.300 -0.333 0.000 2.432 599 C HA 0.159 4.622 4.460 0.005 0.000 0.280 599 C C 0.914 175.893 174.990 -0.018 0.000 1.353 599 C CA 0.098 59.012 59.018 -0.174 0.000 1.766 599 C CB -0.691 26.980 27.740 -0.115 0.000 1.924 599 C HN 0.564 nan 8.230 nan 0.000 0.509 600 R N -0.200 120.232 120.500 -0.114 0.000 2.628 600 R HA 0.648 4.991 4.340 0.005 0.000 0.288 600 R C -1.837 174.271 176.300 -0.320 0.000 0.980 600 R CA -0.428 55.532 56.100 -0.232 0.000 0.891 600 R CB 1.907 31.912 30.300 -0.492 0.000 1.188 600 R HN 0.454 nan 8.270 nan 0.000 0.450 601 F N 2.549 122.327 119.950 -0.286 0.000 2.574 601 F HA 0.421 4.949 4.527 0.001 0.000 0.313 601 F C -1.462 174.316 175.800 -0.037 0.000 1.130 601 F CA -1.085 56.759 58.000 -0.261 0.000 0.936 601 F CB 1.495 40.389 39.000 -0.176 0.000 1.219 601 F HN 0.334 nan 8.300 nan 0.000 0.445 602 L N 7.250 128.090 121.223 -0.639 0.000 2.280 602 L HA 0.638 4.981 4.340 0.005 0.000 0.287 602 L C -1.242 175.284 176.870 -0.574 0.000 1.023 602 L CA -0.507 54.134 54.840 -0.332 0.000 0.819 602 L CB 1.203 43.224 42.059 -0.064 0.000 1.212 602 L HN 0.712 nan 8.230 nan 0.000 0.420 603 M N 8.567 128.015 119.600 -0.254 0.000 2.072 603 M HA 0.638 5.121 4.480 0.005 0.000 0.331 603 M C -2.575 173.660 176.300 -0.108 0.000 1.004 603 M CA -2.274 52.937 55.300 -0.149 0.000 0.952 603 M CB 1.410 34.051 32.600 0.068 0.000 1.511 603 M HN 0.299 nan 8.290 nan 0.000 0.422 604 P HA 0.342 nan 4.420 nan 0.000 0.277 604 P C -0.918 176.394 177.300 0.020 0.000 1.271 604 P CA -0.463 62.685 63.100 0.080 0.000 0.795 604 P CB 0.557 32.261 31.700 0.008 0.000 1.101 605 T N 1.466 116.063 114.554 0.072 0.000 2.761 605 T HA 0.408 4.761 4.350 0.005 0.000 0.296 605 T C 0.117 174.799 174.700 -0.029 0.000 0.934 605 T CA 0.259 62.379 62.100 0.034 0.000 1.091 605 T CB -0.640 68.262 68.868 0.056 0.000 0.896 605 T HN 0.157 nan 8.240 nan 0.000 0.515 606 I N 3.712 124.253 120.570 -0.050 0.000 2.468 606 I HA 0.399 4.572 4.170 0.005 0.000 0.285 606 I C 0.790 176.920 176.117 0.021 0.000 1.039 606 I CA -0.691 60.582 61.300 -0.045 0.000 1.074 606 I CB 2.159 40.070 38.000 -0.148 0.000 1.228 606 I HN 0.552 nan 8.210 nan 0.000 0.436 607 R N 3.190 123.701 120.500 0.019 0.000 2.287 607 R HA 0.340 4.683 4.340 0.005 0.000 0.197 607 R C 1.005 177.315 176.300 0.016 0.000 0.900 607 R CA 0.230 56.343 56.100 0.021 0.000 1.052 607 R CB 0.663 30.971 30.300 0.013 0.000 1.117 607 R HN 0.870 nan 8.270 nan 0.000 0.568 616 R N 2.844 123.302 120.500 -0.069 0.000 2.575 616 R HA 0.663 5.006 4.340 0.005 0.000 0.293 616 R C -1.328 174.899 176.300 -0.120 0.000 0.983 616 R CA -0.937 55.063 56.100 -0.167 0.000 0.887 616 R CB 1.396 31.614 30.300 -0.138 0.000 1.184 616 R HN 0.775 nan 8.270 nan 0.000 0.445 617 Y N -1.103 119.096 120.300 -0.169 0.000 2.851 617 Y HA 0.720 5.273 4.550 0.006 0.000 0.359 617 Y C -2.151 173.555 175.900 -0.323 0.000 1.231 617 Y CA -1.476 56.433 58.100 -0.319 0.000 1.106 617 Y CB 0.675 38.913 38.460 -0.370 0.000 1.409 617 Y HN 0.713 nan 8.280 nan 0.000 0.454 618 A N 0.602 123.258 122.820 -0.273 0.000 2.515 618 A HA 0.989 5.312 4.320 0.005 0.000 0.298 618 A C -0.613 176.624 177.584 -0.579 0.000 1.059 618 A CA -0.376 51.426 52.037 -0.392 0.000 0.698 618 A CB 1.483 20.375 19.000 -0.180 0.000 1.289 618 A HN 2.067 nan 8.150 nan 0.000 0.404 619 G N -0.497 107.928 108.800 -0.626 0.000 2.677 619 G HA2 0.627 4.590 3.960 0.005 0.000 0.291 619 G HA3 0.627 4.590 3.960 0.005 0.000 0.291 619 G C -2.179 172.474 174.900 -0.411 0.000 1.435 619 G CA -0.532 44.064 45.100 -0.840 0.000 0.826 619 G HN 1.244 nan 8.290 nan 0.000 0.491 620 L N 0.662 121.644 121.223 -0.402 0.000 2.322 620 L HA 0.768 5.111 4.340 0.005 0.000 0.281 620 L C -0.673 176.228 176.870 0.052 0.000 1.014 620 L CA -0.800 53.942 54.840 -0.164 0.000 0.815 620 L CB 1.363 43.212 42.059 -0.350 0.000 1.247 620 L HN 0.430 nan 8.230 nan 0.000 0.421 621 I N 4.070 124.677 120.570 0.062 0.000 2.389 621 I HA 0.336 4.509 4.170 0.005 0.000 0.288 621 I C -0.588 175.506 176.117 -0.038 0.000 0.999 621 I CA -0.786 60.498 61.300 -0.026 0.000 1.129 621 I CB 1.785 39.754 38.000 -0.052 0.000 1.288 621 I HN 0.565 nan 8.210 nan 0.000 0.444 622 Q N 6.196 125.957 119.800 -0.066 0.000 2.337 622 Q HA 0.223 4.566 4.340 0.005 0.000 0.255 622 Q C -0.990 175.001 176.000 -0.014 0.000 0.997 622 Q CA 0.143 55.932 55.803 -0.023 0.000 0.925 622 Q CB 0.638 29.371 28.738 -0.009 0.000 1.212 622 Q HN 0.469 nan 8.270 nan 0.000 0.436 623 E N 3.646 123.843 120.200 -0.004 0.000 2.183 623 E HA 0.445 4.798 4.350 0.005 0.000 0.250 623 E C 0.323 176.927 176.600 0.007 0.000 0.901 623 E CA -0.132 56.266 56.400 -0.003 0.000 0.741 623 E CB 0.874 30.569 29.700 -0.009 0.000 1.182 623 E HN 0.960 nan 8.360 nan 0.000 0.425 624 G N 3.918 112.725 108.800 0.012 0.000 2.596 624 G HA2 -0.394 3.569 3.960 0.005 0.000 0.304 624 G HA3 -0.394 3.569 3.960 0.005 0.000 0.304 624 G C 0.639 175.550 174.900 0.018 0.000 1.189 624 G CA 0.467 45.577 45.100 0.015 0.000 0.986 624 G HN 0.579 nan 8.290 nan 0.000 0.548 625 D N 1.254 121.665 120.400 0.017 0.000 2.340 625 D HA 0.194 4.837 4.640 0.005 0.000 0.220 625 D C 0.884 177.197 176.300 0.021 0.000 1.039 625 D CA 0.702 54.713 54.000 0.019 0.000 0.866 625 D CB 0.037 40.847 40.800 0.018 0.000 0.913 625 D HN 0.287 nan 8.370 nan 0.000 0.523 626 K N 0.252 120.665 120.400 0.020 0.000 2.295 626 K HA 0.472 4.795 4.320 0.005 0.000 0.239 626 K C -0.275 176.339 176.600 0.024 0.000 0.991 626 K CA -0.610 55.692 56.287 0.024 0.000 0.845 626 K CB 1.970 34.483 32.500 0.023 0.000 1.197 626 K HN -0.017 nan 8.250 nan 0.000 0.441 627 Q N 1.138 120.957 119.800 0.033 0.000 2.372 627 Q HA 0.481 4.824 4.340 0.005 0.000 0.273 627 Q C -0.707 175.323 176.000 0.050 0.000 1.078 627 Q CA -0.963 54.862 55.803 0.036 0.000 0.806 627 Q CB 3.160 31.925 28.738 0.045 0.000 1.332 627 Q HN 0.542 nan 8.270 nan 0.000 0.435 628 R N 1.205 121.737 120.500 0.053 0.000 2.725 628 R HA 0.672 5.015 4.340 0.005 0.000 0.277 628 R C -1.110 175.245 176.300 0.091 0.000 0.987 628 R CA -0.779 55.365 56.100 0.073 0.000 0.901 628 R CB 1.674 32.009 30.300 0.059 0.000 1.207 628 R HN 0.470 nan 8.270 nan 0.000 0.463 629 M N 1.979 121.647 119.600 0.113 0.000 2.409 629 M HA 0.472 4.955 4.480 0.005 0.000 0.329 629 M C -0.877 175.455 176.300 0.053 0.000 1.180 629 M CA -1.122 54.224 55.300 0.077 0.000 1.053 629 M CB 2.281 34.957 32.600 0.128 0.000 1.586 629 M HN 0.411 nan 8.290 nan 0.000 0.461 630 V N 2.225 122.085 119.914 -0.090 0.000 2.638 630 V HA 0.530 4.652 4.120 0.005 0.000 0.306 630 V C -1.435 174.445 176.094 -0.357 0.000 1.052 630 V CA -0.595 61.693 62.300 -0.019 0.000 0.885 630 V CB 2.051 34.033 31.823 0.265 0.000 0.999 630 V HN 0.610 nan 8.190 nan 0.000 0.424 631 F N 3.937 123.855 119.950 -0.053 0.000 2.507 631 F HA 0.649 5.181 4.527 0.007 0.000 0.328 631 F C 0.185 175.807 175.800 -0.296 0.000 1.136 631 F CA -0.734 57.153 58.000 -0.188 0.000 0.930 631 F CB 2.086 40.966 39.000 -0.199 0.000 1.166 631 F HN 0.154 nan 8.300 nan 0.000 0.436 632 K N 1.645 121.819 120.400 -0.376 0.000 2.345 632 K HA 0.488 4.811 4.320 0.005 0.000 0.255 632 K C 0.364 176.747 176.600 -0.362 0.000 0.934 632 K CA -0.576 55.436 56.287 -0.457 0.000 0.801 632 K CB 1.715 33.686 32.500 -0.883 0.000 1.137 632 K HN 0.785 nan 8.250 nan 0.000 0.424 633 G N 2.894 111.543 108.800 -0.252 0.000 2.395 633 G HA2 -0.247 3.716 3.960 0.005 0.000 0.300 633 G HA3 -0.247 3.716 3.960 0.005 0.000 0.300 633 G C -0.079 174.681 174.900 -0.233 0.000 0.998 633 G CA 0.217 45.186 45.100 -0.219 0.000 1.046 633 G HN 0.509 nan 8.290 nan 0.000 0.513 634 L N 0.041 121.090 121.223 -0.290 0.000 2.679 634 L HA 0.472 4.815 4.340 0.005 0.000 0.238 634 L C 0.363 176.857 176.870 -0.628 0.000 1.330 634 L CA -0.173 54.483 54.840 -0.306 0.000 0.935 634 L CB 0.677 42.639 42.059 -0.161 0.000 1.243 634 L HN 0.303 nan 8.230 nan 0.000 0.484 635 E N -0.204 119.617 120.200 -0.631 0.000 2.369 635 E HA 0.432 4.785 4.350 0.005 0.000 0.270 635 E C -0.494 175.906 176.600 -0.333 0.000 0.909 635 E CA -0.643 55.154 56.400 -1.005 0.000 0.775 635 E CB 2.438 31.533 29.700 -1.008 0.000 1.270 635 E HN 0.105 nan 8.360 nan 0.000 0.445 642 T N 0.857 115.068 114.554 -0.573 0.000 2.916 642 T HA 0.507 4.860 4.350 0.005 0.000 0.292 642 T C -2.488 171.920 174.700 -0.486 0.000 1.064 642 T CA -1.604 60.181 62.100 -0.524 0.000 1.011 642 T CB 2.777 71.296 68.868 -0.580 0.000 1.152 642 T HN 0.074 nan 8.240 nan 0.000 0.510 643 P HA 0.025 nan 4.420 nan 0.000 0.221 643 P C 1.715 178.874 177.300 -0.236 0.000 1.150 643 P CA 0.152 63.133 63.100 -0.199 0.000 0.800 643 P CB -0.010 31.611 31.700 -0.132 0.000 0.787 644 L N -0.015 121.037 121.223 -0.285 0.000 1.989 644 L HA -0.199 4.144 4.340 0.005 0.000 0.211 644 L C 2.201 178.908 176.870 -0.272 0.000 1.071 644 L CA 2.468 57.155 54.840 -0.255 0.000 0.749 644 L CB -1.415 40.479 42.059 -0.275 0.000 0.890 644 L HN -0.095 nan 8.230 nan 0.000 0.431 645 A N -1.061 121.455 122.820 -0.507 0.000 1.873 645 A HA -0.265 4.058 4.320 0.005 0.000 0.215 645 A C 2.288 179.564 177.584 -0.513 0.000 1.186 645 A CA 1.721 53.351 52.037 -0.679 0.000 0.616 645 A CB -0.812 17.277 19.000 -1.518 0.000 0.823 645 A HN 0.653 nan 8.150 nan 0.000 0.442 646 Q N -0.404 119.094 119.800 -0.502 0.000 2.084 646 Q HA -0.248 4.095 4.340 0.005 0.000 0.202 646 Q C 2.204 178.155 176.000 -0.083 0.000 0.978 646 Q CA 2.318 58.080 55.803 -0.069 0.000 0.844 646 Q CB -0.301 28.489 28.738 0.088 0.000 0.898 646 Q HN 0.773 nan 8.270 nan 0.000 0.426 647 Q N -1.278 118.488 119.800 -0.058 0.000 2.119 647 Q HA -0.158 4.185 4.340 0.005 0.000 0.201 647 Q C 1.772 177.837 176.000 0.108 0.000 0.972 647 Q CA 1.256 57.069 55.803 0.017 0.000 0.847 647 Q CB -0.216 28.540 28.738 0.031 0.000 0.903 647 Q HN 0.500 nan 8.270 nan 0.000 0.433 648 F N 1.494 121.418 119.950 -0.043 0.000 2.102 648 F HA -0.197 4.334 4.527 0.007 0.000 0.298 648 F C 2.348 178.178 175.800 0.051 0.000 1.105 648 F CA 2.090 60.129 58.000 0.066 0.000 1.239 648 F CB -0.533 38.447 39.000 -0.034 0.000 0.991 648 F HN 0.159 nan 8.300 nan 0.000 0.474 649 Q N -0.092 119.583 119.800 -0.207 0.000 2.050 649 Q HA -0.302 4.041 4.340 0.005 0.000 0.202 649 Q C 2.362 178.131 176.000 -0.386 0.000 0.980 649 Q CA 2.049 57.586 55.803 -0.443 0.000 0.840 649 Q CB -0.320 28.102 28.738 -0.527 0.000 0.898 649 Q HN 0.602 nan 8.270 nan 0.000 0.424 650 Q N 0.358 119.989 119.800 -0.283 0.000 2.002 650 Q HA -0.223 4.120 4.340 0.005 0.000 0.204 650 Q C 1.757 177.740 176.000 -0.029 0.000 0.988 650 Q CA 2.254 57.993 55.803 -0.107 0.000 0.843 650 Q CB 0.061 28.755 28.738 -0.074 0.000 0.908 650 Q HN 0.441 nan 8.270 nan 0.000 0.420 651 E N -0.424 119.731 120.200 -0.074 0.000 2.106 651 E HA -0.173 4.180 4.350 0.005 0.000 0.192 651 E C 1.907 178.329 176.600 -0.296 0.000 0.984 651 E CA 0.924 57.218 56.400 -0.177 0.000 0.806 651 E CB -0.084 29.486 29.700 -0.216 0.000 0.750 651 E HN 0.265 nan 8.360 nan 0.000 0.458 652 L N -0.047 121.012 121.223 -0.273 0.000 2.027 652 L HA -0.160 4.183 4.340 0.005 0.000 0.206 652 L C 1.894 178.647 176.870 -0.195 0.000 1.074 652 L CA 1.707 56.389 54.840 -0.264 0.000 0.745 652 L CB -0.476 41.344 42.059 -0.398 0.000 0.898 652 L HN 0.168 nan 8.230 nan 0.000 0.433 653 Y N -1.687 118.381 120.300 -0.387 0.000 2.224 653 Y HA -0.259 4.295 4.550 0.007 0.000 0.289 653 Y C 2.375 177.892 175.900 -0.639 0.000 1.146 653 Y CA 0.811 58.557 58.100 -0.591 0.000 1.182 653 Y CB -0.086 38.124 38.460 -0.416 0.000 0.983 653 Y HN 0.256 nan 8.280 nan 0.000 0.524 654 L N 0.561 121.732 121.223 -0.087 0.000 2.056 654 L HA -0.171 4.172 4.340 0.005 0.000 0.207 654 L C 2.220 179.085 176.870 -0.009 0.000 1.078 654 L CA 1.589 56.449 54.840 0.035 0.000 0.749 654 L CB -0.573 41.530 42.059 0.073 0.000 0.901 654 L HN 0.027 nan 8.230 nan 0.000 0.433 655 R N -0.651 119.794 120.500 -0.091 0.000 2.083 655 R HA -0.136 4.207 4.340 0.005 0.000 0.237 655 R C 2.288 178.563 176.300 -0.042 0.000 1.137 655 R CA 2.042 58.108 56.100 -0.056 0.000 0.951 655 R CB -0.471 29.785 30.300 -0.073 0.000 0.851 655 R HN 0.375 nan 8.270 nan 0.000 0.434 656 I N -0.177 120.283 120.570 -0.183 0.000 2.315 656 I HA -0.241 3.932 4.170 0.005 0.000 0.248 656 I C 1.652 177.752 176.117 -0.027 0.000 1.117 656 I CA 0.905 62.078 61.300 -0.211 0.000 1.404 656 I CB -0.148 37.561 38.000 -0.484 0.000 1.071 656 I HN 0.062 nan 8.210 nan 0.000 0.419 657 F N 1.161 121.068 119.950 -0.071 0.000 2.186 657 F HA -0.106 4.423 4.527 0.004 0.000 0.299 657 F C 2.288 178.085 175.800 -0.006 0.000 1.090 657 F CA 1.240 59.216 58.000 -0.039 0.000 1.307 657 F CB -0.715 38.272 39.000 -0.022 0.000 1.019 657 F HN -0.022 nan 8.300 nan 0.000 0.489 658 R N 0.340 120.957 120.500 0.196 0.000 2.334 658 R HA 0.080 4.423 4.340 0.005 0.000 0.220 658 R C 0.034 176.389 176.300 0.092 0.000 0.917 658 R CA 0.118 56.291 56.100 0.122 0.000 1.073 658 R CB -0.358 30.000 30.300 0.097 0.000 1.056 658 R HN 0.185 nan 8.270 nan 0.000 0.506 659 N N 1.587 120.342 118.700 0.092 0.000 2.725 659 N HA -0.193 4.550 4.740 0.005 0.000 0.249 659 N C -0.901 174.662 175.510 0.087 0.000 1.103 659 N CA 1.217 54.319 53.050 0.085 0.000 0.707 659 N CB -0.959 37.575 38.487 0.078 0.000 1.043 659 N HN 0.523 nan 8.380 nan 0.000 0.553 660 E N 0.315 120.567 120.200 0.087 0.000 2.250 660 E HA 0.435 4.788 4.350 0.005 0.000 0.265 660 E C -2.331 174.346 176.600 0.129 0.000 1.033 660 E CA -1.805 54.644 56.400 0.081 0.000 0.888 660 E CB 0.644 30.377 29.700 0.054 0.000 1.151 660 E HN -0.009 nan 8.360 nan 0.000 0.412 661 P HA -0.037 nan 4.420 nan 0.000 0.268 661 P C -0.859 176.509 177.300 0.114 0.000 1.205 661 P CA 0.493 63.624 63.100 0.052 0.000 0.771 661 P CB 0.112 31.809 31.700 -0.004 0.000 0.858 662 Y N -0.061 120.261 120.300 0.038 0.000 2.435 662 Y HA 0.285 4.837 4.550 0.003 0.000 0.270 662 Y C 1.846 177.840 175.900 0.156 0.000 1.093 662 Y CA -0.144 58.005 58.100 0.082 0.000 1.226 662 Y CB -0.650 37.829 38.460 0.032 0.000 1.289 662 Y HN 0.113 nan 8.280 nan 0.000 0.529 663 Q N 1.128 120.558 119.800 -0.616 0.000 2.077 663 Q HA -0.257 4.086 4.340 0.005 0.000 0.206 663 Q C 1.818 177.783 176.000 -0.059 0.000 0.989 663 Q CA 2.385 57.992 55.803 -0.326 0.000 0.853 663 Q CB -0.081 28.410 28.738 -0.410 0.000 0.907 663 Q HN 0.473 nan 8.270 nan 0.000 0.418 664 E N -0.322 119.859 120.200 -0.032 0.000 2.150 664 E HA -0.183 4.170 4.350 0.005 0.000 0.193 664 E C 1.503 178.147 176.600 0.074 0.000 0.985 664 E CA 0.863 57.268 56.400 0.008 0.000 0.814 664 E CB -0.239 29.465 29.700 0.006 0.000 0.752 664 E HN 0.452 nan 8.360 nan 0.000 0.466 665 Y N -0.231 120.096 120.300 0.045 0.000 2.181 665 Y HA -0.184 4.370 4.550 0.007 0.000 0.288 665 Y C 1.930 177.928 175.900 0.165 0.000 1.146 665 Y CA 1.663 59.825 58.100 0.104 0.000 1.164 665 Y CB -0.304 38.242 38.460 0.144 0.000 0.982 665 Y HN -0.060 nan 8.280 nan 0.000 0.515 666 V N 0.893 120.946 119.914 0.231 0.000 2.295 666 V HA -0.306 3.817 4.120 0.005 0.000 0.246 666 V C 2.411 178.493 176.094 -0.020 0.000 1.049 666 V CA 2.308 64.743 62.300 0.224 0.000 1.024 666 V CB -0.632 31.431 31.823 0.400 0.000 0.648 666 V HN 0.338 nan 8.190 nan 0.000 0.447 667 R N -0.154 120.322 120.500 -0.040 0.000 2.083 667 R HA -0.216 4.127 4.340 0.005 0.000 0.237 667 R C 2.393 178.611 176.300 -0.137 0.000 1.137 667 R CA 1.815 57.854 56.100 -0.101 0.000 0.951 667 R CB -0.363 29.885 30.300 -0.086 0.000 0.851 667 R HN 0.431 nan 8.270 nan 0.000 0.434 668 E N -0.025 120.093 120.200 -0.136 0.000 2.110 668 E HA -0.132 4.221 4.350 0.005 0.000 0.193 668 E C 1.764 178.231 176.600 -0.222 0.000 0.988 668 E CA 1.762 58.069 56.400 -0.155 0.000 0.804 668 E CB -0.103 29.524 29.700 -0.121 0.000 0.745 668 E HN 0.201 nan 8.360 nan 0.000 0.458 669 T N 0.406 114.769 114.554 -0.318 0.000 2.737 669 T HA -0.086 4.267 4.350 0.005 0.000 0.265 669 T C 1.916 176.430 174.700 -0.311 0.000 1.038 669 T CA 1.363 63.237 62.100 -0.377 0.000 1.144 669 T CB -0.250 68.288 68.868 -0.550 0.000 0.866 669 T HN 0.140 nan 8.240 nan 0.000 0.434 670 I N 1.118 121.528 120.570 -0.267 0.000 2.127 670 I HA -0.195 3.978 4.170 0.005 0.000 0.241 670 I C 2.516 178.515 176.117 -0.195 0.000 1.075 670 I CA 1.514 62.689 61.300 -0.209 0.000 1.334 670 I CB -0.382 37.516 38.000 -0.171 0.000 1.040 670 I HN 0.188 nan 8.210 nan 0.000 0.405 671 D N 0.950 121.239 120.400 -0.184 0.000 2.117 671 D HA -0.186 4.457 4.640 0.005 0.000 0.197 671 D C 2.165 178.347 176.300 -0.197 0.000 0.987 671 D CA 1.473 55.369 54.000 -0.173 0.000 0.829 671 D CB 0.071 40.783 40.800 -0.146 0.000 0.961 671 D HN 0.129 nan 8.370 nan 0.000 0.460 672 K N -0.571 119.707 120.400 -0.204 0.000 2.148 672 K HA -0.091 4.232 4.320 0.005 0.000 0.204 672 K C 1.954 178.386 176.600 -0.280 0.000 1.050 672 K CA 0.542 56.700 56.287 -0.215 0.000 0.942 672 K CB -0.124 32.262 32.500 -0.190 0.000 0.724 672 K HN 0.136 nan 8.250 nan 0.000 0.446 673 L N 0.679 121.730 121.223 -0.287 0.000 2.017 673 L HA -0.145 4.198 4.340 0.005 0.000 0.208 673 L C 1.872 178.425 176.870 -0.527 0.000 1.073 673 L CA 1.765 56.406 54.840 -0.331 0.000 0.745 673 L CB -0.283 41.636 42.059 -0.233 0.000 0.894 673 L HN 0.119 nan 8.230 nan 0.000 0.432 674 M N -0.343 119.024 119.600 -0.387 0.000 2.296 674 M HA 0.019 4.502 4.480 0.005 0.000 0.265 674 M C 2.323 178.309 176.300 -0.524 0.000 1.064 674 M CA 1.378 56.437 55.300 -0.402 0.000 1.109 674 M CB -1.915 30.579 32.600 -0.177 0.000 1.396 674 M HN 0.448 nan 8.290 nan 0.000 0.430 675 A N -0.497 122.069 122.820 -0.423 0.000 2.066 675 A HA 0.344 4.667 4.320 0.005 0.000 0.218 675 A C 1.790 179.144 177.584 -0.384 0.000 1.157 675 A CA 1.292 53.139 52.037 -0.317 0.000 0.670 675 A CB -0.695 18.175 19.000 -0.216 0.000 0.804 675 A HN 0.633 nan 8.150 nan 0.000 0.453 676 G N -0.885 107.531 108.800 -0.640 0.000 2.131 676 G HA2 -0.216 3.747 3.960 0.005 0.000 0.223 676 G HA3 -0.216 3.747 3.960 0.005 0.000 0.223 676 G C 0.282 175.050 174.900 -0.220 0.000 0.990 676 G CA 0.451 45.266 45.100 -0.475 0.000 0.671 676 G HN 0.590 nan 8.290 nan 0.000 0.521 677 E N -0.604 119.455 120.200 -0.236 0.000 2.489 677 E HA 0.280 4.633 4.350 0.005 0.000 0.193 677 E C 1.675 178.188 176.600 -0.146 0.000 1.057 677 E CA 0.097 56.404 56.400 -0.155 0.000 0.866 677 E CB 0.181 29.795 29.700 -0.145 0.000 0.916 677 E HN 0.570 nan 8.360 nan 0.000 0.500 678 L N 0.728 121.844 121.223 -0.179 0.000 3.066 678 L HA 0.141 4.484 4.340 0.005 0.000 0.265 678 L C 0.521 177.297 176.870 -0.157 0.000 1.232 678 L CA -0.248 54.492 54.840 -0.167 0.000 1.031 678 L CB 0.357 42.293 42.059 -0.206 0.000 1.379 678 L HN -0.077 nan 8.230 nan 0.000 0.563 679 D N 1.717 122.053 120.400 -0.108 0.000 2.190 679 D HA -0.199 4.444 4.640 0.005 0.000 0.200 679 D C 2.172 178.405 176.300 -0.112 0.000 0.992 679 D CA 1.471 55.420 54.000 -0.085 0.000 0.854 679 D CB 0.260 41.047 40.800 -0.021 0.000 0.936 679 D HN 0.371 nan 8.370 nan 0.000 0.462 680 A N 0.427 123.188 122.820 -0.098 0.000 2.067 680 A HA -0.120 4.203 4.320 0.005 0.000 0.219 680 A C 1.911 179.426 177.584 -0.115 0.000 1.158 680 A CA 0.848 52.832 52.037 -0.088 0.000 0.661 680 A CB -0.219 18.740 19.000 -0.068 0.000 0.801 680 A HN 0.170 nan 8.150 nan 0.000 0.452 681 R N -0.485 119.924 120.500 -0.153 0.000 2.317 681 R HA 0.278 4.621 4.340 0.005 0.000 0.208 681 R C 0.497 176.643 176.300 -0.257 0.000 0.914 681 R CA 0.047 56.038 56.100 -0.182 0.000 1.060 681 R CB -0.070 30.123 30.300 -0.179 0.000 1.015 681 R HN 0.441 nan 8.270 nan 0.000 0.498 682 L N 0.954 122.001 121.223 -0.292 0.000 2.629 682 L HA 0.176 4.519 4.340 0.005 0.000 0.230 682 L C 0.054 176.789 176.870 -0.226 0.000 1.151 682 L CA -0.122 54.480 54.840 -0.396 0.000 0.924 682 L CB 0.331 41.965 42.059 -0.708 0.000 1.137 682 L HN -0.123 nan 8.230 nan 0.000 0.457 683 V N 0.032 119.824 119.914 -0.203 0.000 2.432 683 V HA 0.102 4.225 4.120 0.005 0.000 0.271 683 V C -0.128 175.825 176.094 -0.235 0.000 1.046 683 V CA -0.426 61.784 62.300 -0.150 0.000 0.945 683 V CB 0.079 31.856 31.823 -0.076 0.000 0.992 683 V HN 0.056 nan 8.190 nan 0.000 0.471 684 Y N 4.300 124.434 120.300 -0.277 0.000 2.309 684 Y HA 0.523 5.075 4.550 0.005 0.000 0.327 684 Y C 0.822 176.591 175.900 -0.217 0.000 1.172 684 Y CA -0.228 57.641 58.100 -0.386 0.000 1.280 684 Y CB 0.854 38.674 38.460 -1.067 0.000 1.234 684 Y HN 0.442 nan 8.280 nan 0.000 0.512 685 R N 3.194 123.763 120.500 0.116 0.000 2.451 685 R HA 0.406 4.749 4.340 0.005 0.000 0.307 685 R C -1.125 175.283 176.300 0.180 0.000 0.965 685 R CA -0.790 55.398 56.100 0.147 0.000 0.865 685 R CB 1.425 31.785 30.300 0.101 0.000 1.174 685 R HN 0.616 nan 8.270 nan 0.000 0.455 686 K N 2.284 122.814 120.400 0.217 0.000 2.502 686 K HA 0.394 4.717 4.320 0.005 0.000 0.257 686 K C -0.756 175.932 176.600 0.146 0.000 0.938 686 K CA -0.859 55.497 56.287 0.115 0.000 0.819 686 K CB 2.083 34.547 32.500 -0.060 0.000 1.333 686 K HN 0.390 nan 8.250 nan 0.000 0.434 687 R N 2.151 122.715 120.500 0.107 0.000 2.438 687 R HA 0.221 4.564 4.340 0.005 0.000 0.287 687 R C -0.470 175.986 176.300 0.260 0.000 1.077 687 R CA -0.652 55.556 56.100 0.181 0.000 1.034 687 R CB 0.427 30.824 30.300 0.163 0.000 0.993 687 R HN 0.228 nan 8.270 nan 0.000 0.459 688 L N 3.841 125.230 121.223 0.278 0.000 2.259 688 L HA 0.207 4.550 4.340 0.005 0.000 0.288 688 L C 1.599 178.635 176.870 0.276 0.000 1.051 688 L CA 0.553 55.562 54.840 0.282 0.000 0.824 688 L CB 0.817 43.010 42.059 0.223 0.000 1.206 688 L HN 0.774 nan 8.230 nan 0.000 0.429 689 R N 3.713 124.395 120.500 0.304 0.000 2.310 689 R HA 0.226 4.569 4.340 0.005 0.000 0.202 689 R C 0.817 177.235 176.300 0.196 0.000 0.933 689 R CA 0.530 56.770 56.100 0.234 0.000 1.054 689 R CB -0.201 30.223 30.300 0.206 0.000 0.985 689 R HN 0.588 nan 8.270 nan 0.000 0.489 690 R N -0.203 120.451 120.500 0.256 0.000 2.795 690 R HA 0.404 4.747 4.340 0.005 0.000 0.275 690 R C -2.883 173.519 176.300 0.170 0.000 0.981 690 R CA -2.307 53.855 56.100 0.103 0.000 0.917 690 R CB 2.159 32.328 30.300 -0.219 0.000 1.202 690 R HN -0.014 nan 8.270 nan 0.000 0.469 691 P HA -0.039 nan 4.420 nan 0.000 0.265 691 P C 0.519 177.913 177.300 0.158 0.000 1.193 691 P CA -0.054 63.106 63.100 0.100 0.000 0.765 691 P CB 0.548 32.273 31.700 0.042 0.000 0.823 692 L N 3.896 125.240 121.223 0.202 0.000 2.129 692 L HA -0.231 4.112 4.340 0.005 0.000 0.212 692 L C 2.345 179.337 176.870 0.203 0.000 1.087 692 L CA 2.123 57.112 54.840 0.248 0.000 0.757 692 L CB -1.347 40.796 42.059 0.139 0.000 0.896 692 L HN 0.401 nan 8.230 nan 0.000 0.434 693 S N -0.909 114.853 115.700 0.103 0.000 2.387 693 S HA -0.277 4.196 4.470 0.005 0.000 0.230 693 S C 1.902 176.516 174.600 0.022 0.000 1.035 693 S CA 1.859 60.091 58.200 0.053 0.000 1.014 693 S CB -0.264 62.952 63.200 0.027 0.000 0.836 693 S HN 0.649 nan 8.310 nan 0.000 0.466 694 E N -0.546 119.630 120.200 -0.041 0.000 2.107 694 E HA -0.016 4.337 4.350 0.005 0.000 0.191 694 E C -0.261 176.231 176.600 -0.181 0.000 0.982 694 E CA 0.524 56.829 56.400 -0.157 0.000 0.809 694 E CB -0.110 29.425 29.700 -0.276 0.000 0.756 694 E HN 0.686 nan 8.360 nan 0.000 0.459 695 Y N -0.099 120.189 120.300 -0.019 0.000 2.650 695 Y HA 0.097 4.650 4.550 0.005 0.000 0.331 695 Y C 1.453 177.335 175.900 -0.030 0.000 1.165 695 Y CA 0.712 58.794 58.100 -0.029 0.000 1.473 695 Y CB 0.339 38.766 38.460 -0.056 0.000 1.224 695 Y HN 0.042 nan 8.280 nan 0.000 0.533 696 Q N 2.449 122.308 119.800 0.098 0.000 2.046 696 Q HA 0.214 4.557 4.340 0.005 0.000 0.226 696 Q C 0.319 176.346 176.000 0.046 0.000 0.755 696 Q CA -0.248 55.587 55.803 0.054 0.000 0.924 696 Q CB 0.357 nan 28.738 nan 0.000 1.188 696 Q HN 0.716 nan 8.270 nan 0.000 0.450 697 R N 2.456 122.993 120.500 0.062 0.000 2.204 697 R HA 0.364 4.707 4.340 0.005 0.000 0.341 697 R C -0.845 175.491 176.300 0.059 0.000 1.035 697 R CA -1.014 55.116 56.100 0.050 0.000 0.887 697 R CB 0.425 30.751 30.300 0.043 0.000 1.114 697 R HN 0.351 nan 8.270 nan 0.000 0.473 698 N N 1.112 119.834 118.700 0.036 0.000 2.724 698 N HA -0.165 4.578 4.740 0.005 0.000 0.293 698 N C -0.333 175.195 175.510 0.030 0.000 1.090 698 N CA 0.617 53.683 53.050 0.027 0.000 0.793 698 N CB -0.839 37.666 38.487 0.030 0.000 0.958 698 N HN 0.309 nan 8.380 nan 0.000 0.575 699 V N 2.488 122.404 119.914 0.003 0.000 2.557 699 V HA 0.048 4.171 4.120 0.005 0.000 0.301 699 V C -1.065 174.971 176.094 -0.096 0.000 1.026 699 V CA -0.876 61.393 62.300 -0.052 0.000 1.137 699 V CB 0.044 31.804 31.823 -0.104 0.000 0.917 699 V HN 0.418 nan 8.190 nan 0.000 0.484 700 P HA 0.171 nan 4.420 nan 0.000 0.269 700 P C -2.280 174.909 177.300 -0.185 0.000 1.209 700 P CA -1.561 61.499 63.100 -0.066 0.000 0.776 700 P CB 0.520 32.245 31.700 0.042 0.000 0.876 701 P HA -0.248 nan 4.420 nan 0.000 0.216 701 P C 1.663 178.575 177.300 -0.648 0.000 1.157 701 P CA 1.849 64.777 63.100 -0.286 0.000 0.880 701 P CB -0.537 31.160 31.700 -0.006 0.000 0.791 702 H N -1.185 117.421 119.070 -0.773 0.000 2.387 702 H HA -0.053 4.506 4.556 0.005 0.000 0.299 702 H C 1.695 176.673 175.328 -0.582 0.000 1.099 702 H CA 1.374 56.867 56.048 -0.925 0.000 1.315 702 H CB -1.415 28.144 29.762 -0.338 0.000 1.380 702 H HN -0.015 nan 8.280 nan 0.000 0.513 703 V N 2.444 121.685 119.914 -1.121 0.000 2.358 703 V HA -0.246 3.877 4.120 0.005 0.000 0.246 703 V C 2.957 178.721 176.094 -0.550 0.000 1.047 703 V CA 2.311 64.064 62.300 -0.912 0.000 1.035 703 V CB -0.595 30.555 31.823 -1.123 0.000 0.658 703 V HN 0.543 nan 8.190 nan 0.000 0.452 704 R N 1.104 121.316 120.500 -0.480 0.000 2.235 704 R HA 0.089 4.432 4.340 0.005 0.000 0.213 704 R C 2.028 178.123 176.300 -0.341 0.000 1.059 704 R CA 1.242 57.134 56.100 -0.345 0.000 0.997 704 R CB -0.470 29.659 30.300 -0.285 0.000 0.884 704 R HN 0.390 nan 8.270 nan 0.000 0.462 705 A N 1.605 124.160 122.820 -0.441 0.000 1.930 705 A HA 0.162 4.485 4.320 0.005 0.000 0.215 705 A C 2.453 179.865 177.584 -0.285 0.000 1.176 705 A CA 1.025 52.846 52.037 -0.360 0.000 0.632 705 A CB -0.484 18.243 19.000 -0.454 0.000 0.819 705 A HN 0.465 nan 8.150 nan 0.000 0.445 706 A N -0.198 122.401 122.820 -0.370 0.000 1.930 706 A HA -0.132 4.191 4.320 0.005 0.000 0.217 706 A C 2.190 179.692 177.584 -0.137 0.000 1.175 706 A CA 1.696 53.504 52.037 -0.382 0.000 0.627 706 A CB -0.447 18.304 19.000 -0.415 0.000 0.815 706 A HN 0.496 nan 8.150 nan 0.000 0.443 707 R N -1.162 119.244 120.500 -0.155 0.000 2.091 707 R HA -0.120 4.223 4.340 0.005 0.000 0.238 707 R C 1.824 178.078 176.300 -0.075 0.000 1.136 707 R CA 1.430 57.474 56.100 -0.093 0.000 0.959 707 R CB -0.329 29.894 30.300 -0.129 0.000 0.856 707 R HN 0.405 nan 8.270 nan 0.000 0.437 708 L N -0.114 121.046 121.223 -0.104 0.000 2.109 708 L HA 0.013 4.356 4.340 0.005 0.000 0.207 708 L C 2.289 179.115 176.870 -0.073 0.000 1.086 708 L CA 1.907 56.692 54.840 -0.093 0.000 0.760 708 L CB -1.034 40.964 42.059 -0.101 0.000 0.910 708 L HN 0.238 nan 8.230 nan 0.000 0.437 709 A N -0.756 122.068 122.820 0.006 0.000 1.883 709 A HA -0.221 4.102 4.320 0.005 0.000 0.217 709 A C 2.015 179.624 177.584 0.042 0.000 1.186 709 A CA 2.017 54.147 52.037 0.155 0.000 0.624 709 A CB -0.586 18.616 19.000 0.337 0.000 0.822 709 A HN 0.397 nan 8.150 nan 0.000 0.444 710 D N -1.038 119.415 120.400 0.088 0.000 2.234 710 D HA -0.057 4.586 4.640 0.005 0.000 0.205 710 D C 1.846 178.101 176.300 -0.074 0.000 0.962 710 D CA 0.863 54.876 54.000 0.021 0.000 0.855 710 D CB -0.226 40.614 40.800 0.067 0.000 0.951 710 D HN 0.679 nan 8.370 nan 0.000 0.500 711 E N 0.503 120.647 120.200 -0.093 0.000 2.058 711 E HA -0.233 4.120 4.350 0.005 0.000 0.194 711 E C 1.729 178.225 176.600 -0.173 0.000 0.997 711 E CA 1.079 57.415 56.400 -0.108 0.000 0.801 711 E CB 0.178 29.817 29.700 -0.102 0.000 0.746 711 E HN 0.063 nan 8.360 nan 0.000 0.450 712 E N 0.492 120.503 120.200 -0.316 0.000 2.208 712 E HA -0.143 4.210 4.350 0.005 0.000 0.193 712 E C 1.692 178.040 176.600 -0.421 0.000 0.988 712 E CA 1.041 57.160 56.400 -0.468 0.000 0.828 712 E CB -0.049 29.095 29.700 -0.926 0.000 0.763 712 E HN 0.172 nan 8.360 nan 0.000 0.478 713 N N -0.109 118.379 118.700 -0.354 0.000 2.120 713 N HA -0.204 4.539 4.740 0.005 0.000 0.188 713 N C 1.978 177.428 175.510 -0.099 0.000 1.024 713 N CA 2.018 54.963 53.050 -0.175 0.000 0.852 713 N CB -0.631 37.788 38.487 -0.113 0.000 1.003 713 N HN 0.504 nan 8.380 nan 0.000 0.424 714 Q N 1.038 120.791 119.800 -0.079 0.000 2.046 714 Q HA -0.078 4.265 4.340 0.005 0.000 0.200 714 Q C 2.365 178.360 176.000 -0.008 0.000 0.975 714 Q CA 2.318 58.113 55.803 -0.013 0.000 0.836 714 Q CB -1.286 27.448 28.738 -0.006 0.000 0.896 714 Q HN 0.624 nan 8.270 nan 0.000 0.428 715 K N 0.247 120.617 120.400 -0.049 0.000 2.103 715 K HA 0.004 4.327 4.320 0.005 0.000 0.207 715 K C 2.321 178.911 176.600 -0.017 0.000 1.048 715 K CA 2.073 58.338 56.287 -0.036 0.000 0.930 715 K CB -1.220 31.243 32.500 -0.062 0.000 0.716 715 K HN 0.846 nan 8.250 nan 0.000 0.444 716 R N -0.178 120.305 120.500 -0.029 0.000 2.334 716 R HA 0.431 4.773 4.340 0.005 0.000 0.220 716 R C 2.038 178.365 176.300 0.045 0.000 0.917 716 R CA 1.177 57.282 56.100 0.009 0.000 1.073 716 R CB -1.244 29.065 30.300 0.014 0.000 1.056 716 R HN 1.565 nan 8.270 nan 0.000 0.506 717 G N 0.223 109.061 108.800 0.063 0.000 2.148 717 G HA2 -0.283 3.680 3.960 0.005 0.000 0.254 717 G HA3 -0.283 3.680 3.960 0.005 0.000 0.254 717 G C 0.464 175.480 174.900 0.194 0.000 0.981 717 G CA 0.467 45.656 45.100 0.147 0.000 0.670 717 G HN 0.660 nan 8.290 nan 0.000 0.528 718 R N 0.354 120.867 120.500 0.021 0.000 2.541 718 R HA 0.541 4.884 4.340 0.005 0.000 0.263 718 R C -2.404 173.561 176.300 -0.559 0.000 1.112 718 R CA -1.659 54.338 56.100 -0.172 0.000 1.170 718 R CB 0.424 30.662 30.300 -0.104 0.000 1.167 718 R HN 0.104 nan 8.270 nan 0.000 0.582 719 P HA 0.133 nan 4.420 nan 0.000 0.282 719 P C -0.738 176.251 177.300 -0.518 0.000 1.249 719 P CA -0.254 62.125 63.100 -1.202 0.000 0.806 719 P CB 0.575 31.477 31.700 -1.330 0.000 0.984 720 L N 2.683 123.703 121.223 -0.337 0.000 2.426 720 L HA 0.121 4.464 4.340 0.005 0.000 0.271 720 L C 1.414 178.132 176.870 -0.252 0.000 1.169 720 L CA 0.375 55.098 54.840 -0.194 0.000 0.836 720 L CB 0.135 42.143 42.059 -0.084 0.000 1.112 720 L HN 0.465 nan 8.230 nan 0.000 0.465 721 Q N 1.546 121.143 119.800 -0.338 0.000 2.316 721 Q HA 0.070 4.413 4.340 0.005 0.000 0.235 721 Q C -0.117 175.452 176.000 -0.718 0.000 0.863 721 Q CA 0.468 55.903 55.803 -0.613 0.000 0.939 721 Q CB 0.641 28.808 28.738 -0.951 0.000 1.108 721 Q HN 0.620 nan 8.270 nan 0.000 0.522 722 Y N 0.041 120.350 120.300 0.014 0.000 2.696 722 Y HA 0.228 4.781 4.550 0.005 0.000 0.260 722 Y C 1.523 177.443 175.900 0.034 0.000 1.165 722 Y CA -0.380 57.738 58.100 0.030 0.000 1.189 722 Y CB 0.673 39.145 38.460 0.021 0.000 1.180 722 Y HN -0.024 nan 8.280 nan 0.000 0.538 723 Q N 0.785 120.642 119.800 0.095 0.000 2.123 723 Q HA -0.023 4.320 4.340 0.005 0.000 0.199 723 Q C -0.221 175.837 176.000 0.096 0.000 0.966 723 Q CA 1.059 56.914 55.803 0.088 0.000 0.845 723 Q CB -0.253 28.514 28.738 0.048 0.000 0.907 723 Q HN 0.568 nan 8.270 nan 0.000 0.439 724 N N 0.732 119.484 118.700 0.086 0.000 2.904 724 N HA 0.310 5.053 4.740 0.005 0.000 0.257 724 N C -0.987 174.596 175.510 0.123 0.000 1.363 724 N CA -0.280 52.825 53.050 0.091 0.000 0.856 724 N CB 1.061 39.583 38.487 0.060 0.000 1.166 724 N HN 0.043 nan 8.380 nan 0.000 0.499 725 R N 0.217 120.815 120.500 0.163 0.000 3.969 725 R HA -0.076 4.266 4.340 0.005 0.000 0.424 725 R C 0.379 176.817 176.300 0.229 0.000 0.241 725 R CA 0.605 56.824 56.100 0.199 0.000 1.349 725 R CB -1.396 29.014 30.300 0.182 0.000 1.085 725 R HN 0.750 nan 8.270 nan 0.000 0.523 726 G N -1.252 107.699 108.800 0.252 0.000 2.526 726 G HA2 -0.031 3.932 3.960 0.005 0.000 0.250 726 G HA3 -0.031 3.932 3.960 0.005 0.000 0.250 726 G C -1.049 174.022 174.900 0.284 0.000 1.289 726 G CA -0.232 45.026 45.100 0.264 0.000 0.947 726 G HN 0.699 nan 8.290 nan 0.000 0.517 727 T N 0.228 114.957 114.554 0.292 0.000 2.829 727 T HA 0.657 5.010 4.350 0.005 0.000 0.280 727 T C -0.191 174.680 174.700 0.285 0.000 0.999 727 T CA -0.027 62.230 62.100 0.261 0.000 0.983 727 T CB 1.457 70.451 68.868 0.209 0.000 0.968 727 T HN 0.891 nan 8.240 nan 0.000 0.446 728 I N 2.619 123.295 120.570 0.178 0.000 2.509 728 I HA 0.545 4.718 4.170 0.005 0.000 0.293 728 I C -0.961 175.254 176.117 0.164 0.000 1.020 728 I CA -0.885 60.435 61.300 0.033 0.000 1.088 728 I CB 1.402 39.225 38.000 -0.295 0.000 1.267 728 I HN 0.422 nan 8.210 nan 0.000 0.430 729 K N 7.358 127.842 120.400 0.141 0.000 2.206 729 K HA 0.495 4.818 4.320 0.005 0.000 0.264 729 K C -1.586 175.157 176.600 0.238 0.000 0.967 729 K CA -0.458 55.932 56.287 0.173 0.000 0.844 729 K CB 1.666 34.229 32.500 0.104 0.000 1.099 729 K HN 0.531 nan 8.250 nan 0.000 0.441 730 Y N -1.111 119.254 120.300 0.109 0.000 2.655 730 Y HA 0.710 5.263 4.550 0.005 0.000 0.336 730 Y C -1.071 174.974 175.900 0.243 0.000 1.154 730 Y CA -1.460 56.699 58.100 0.098 0.000 1.055 730 Y CB 0.978 39.447 38.460 0.015 0.000 1.295 730 Y HN 0.253 nan 8.280 nan 0.000 0.465 731 V N -2.577 117.505 119.914 0.280 0.000 3.130 731 V HA 0.526 4.649 4.120 0.005 0.000 0.310 731 V C -1.527 174.770 176.094 0.338 0.000 1.158 731 V CA -1.040 61.461 62.300 0.334 0.000 1.029 731 V CB 2.457 34.407 31.823 0.211 0.000 1.057 731 V HN 1.030 nan 8.190 nan 0.000 0.436 732 W N 3.383 124.845 121.300 0.269 0.000 2.316 732 W HA 0.620 5.283 4.660 0.006 0.000 0.308 732 W C 0.121 176.637 176.519 -0.007 0.000 1.106 732 W CA 0.489 57.809 57.345 -0.040 0.000 1.262 732 W CB 1.641 30.793 29.460 -0.514 0.000 1.233 732 W HN 1.062 nan 8.180 nan 0.000 0.447 733 T N 0.235 114.669 114.554 -0.200 0.000 2.937 733 T HA 0.222 4.575 4.350 0.005 0.000 0.283 733 T C 1.437 176.101 174.700 -0.061 0.000 1.012 733 T CA 0.109 62.157 62.100 -0.087 0.000 0.997 733 T CB 1.517 70.314 68.868 -0.117 0.000 1.136 733 T HN 0.387 nan 8.240 nan 0.000 0.551 734 T N -1.135 113.403 114.554 -0.027 0.000 2.929 734 T HA -0.076 4.276 4.350 0.005 0.000 0.271 734 T C 1.124 175.809 174.700 -0.025 0.000 1.085 734 T CA 1.324 63.428 62.100 0.007 0.000 1.125 734 T CB -0.763 68.106 68.868 0.001 0.000 0.874 734 T HN 0.715 nan 8.240 nan 0.000 0.494 735 N N 0.816 119.462 118.700 -0.090 0.000 2.238 735 N HA 0.487 5.230 4.740 0.005 0.000 0.222 735 N C 0.641 176.019 175.510 -0.221 0.000 1.133 735 N CA 0.037 53.019 53.050 -0.113 0.000 0.854 735 N CB 0.811 39.239 38.487 -0.098 0.000 1.041 735 N HN 0.656 nan 8.380 nan 0.000 0.510 736 G N 1.025 109.605 108.800 -0.367 0.000 2.582 736 G HA2 -0.180 3.783 3.960 0.005 0.000 0.222 736 G HA3 -0.180 3.783 3.960 0.005 0.000 0.222 736 G C -2.987 171.284 174.900 -1.048 0.000 1.311 736 G CA -1.237 43.393 45.100 -0.783 0.000 0.915 736 G HN -0.054 nan 8.290 nan 0.000 0.528 737 P HA 0.403 nan 4.420 nan 0.000 0.271 737 P C -0.490 176.578 177.300 -0.387 0.000 1.220 737 P CA 0.497 63.122 63.100 -0.792 0.000 0.768 737 P CB 0.810 32.018 31.700 -0.821 0.000 0.848 738 E N 3.859 123.963 120.200 -0.160 0.000 2.314 738 E HA 0.335 4.688 4.350 0.005 0.000 0.272 738 E C -2.561 174.064 176.600 0.042 0.000 0.884 738 E CA -2.622 53.731 56.400 -0.078 0.000 0.753 738 E CB 2.012 31.674 29.700 -0.064 0.000 1.213 738 E HN 0.347 nan 8.360 nan 0.000 0.432 739 P HA -0.052 nan 4.420 nan 0.000 0.268 739 P C 0.587 177.939 177.300 0.088 0.000 1.205 739 P CA -0.134 63.018 63.100 0.087 0.000 0.771 739 P CB 1.006 32.783 31.700 0.128 0.000 0.858 740 L N 3.408 124.678 121.223 0.078 0.000 2.042 740 L HA -0.179 4.164 4.340 0.005 0.000 0.210 740 L C 1.720 178.569 176.870 -0.035 0.000 1.076 740 L CA 2.101 56.961 54.840 0.033 0.000 0.749 740 L CB -1.098 40.980 42.059 0.032 0.000 0.893 740 L HN 0.243 nan 8.230 nan 0.000 0.432 741 D N -1.254 119.088 120.400 -0.096 0.000 2.178 741 D HA -0.183 4.460 4.640 0.005 0.000 0.201 741 D C 0.642 176.625 176.300 -0.527 0.000 0.980 741 D CA 1.435 55.231 54.000 -0.340 0.000 0.842 741 D CB -0.055 40.452 40.800 -0.488 0.000 0.948 741 D HN 0.461 nan 8.370 nan 0.000 0.472 742 Y N 0.556 120.871 120.300 0.025 0.000 2.699 742 Y HA 0.218 4.771 4.550 0.005 0.000 0.282 742 Y C 0.469 176.367 175.900 -0.004 0.000 1.058 742 Y CA -0.652 57.454 58.100 0.009 0.000 1.194 742 Y CB -0.169 38.295 38.460 0.008 0.000 1.193 742 Y HN -0.200 nan 8.280 nan 0.000 0.562 743 Q N 1.926 121.770 119.800 0.074 0.000 2.247 743 Q HA -0.010 4.333 4.340 0.005 0.000 0.288 743 Q C 1.294 177.321 176.000 0.043 0.000 1.079 743 Q CA 0.466 56.296 55.803 0.044 0.000 0.932 743 Q CB 0.682 29.431 28.738 0.018 0.000 1.133 743 Q HN 0.569 nan 8.270 nan 0.000 0.377 744 R N 1.610 122.126 120.500 0.027 0.000 2.316 744 R HA 0.191 4.534 4.340 0.005 0.000 0.201 744 R C -0.344 175.954 176.300 -0.004 0.000 0.888 744 R CA 0.199 56.310 56.100 0.017 0.000 1.041 744 R CB 0.832 31.139 30.300 0.012 0.000 1.115 744 R HN 0.479 nan 8.270 nan 0.000 0.559 745 S N 1.116 116.805 115.700 -0.019 0.000 2.600 745 S HA 0.521 4.994 4.470 0.005 0.000 0.300 745 S C -2.757 171.823 174.600 -0.033 0.000 1.087 745 S CA -1.385 56.797 58.200 -0.029 0.000 0.965 745 S CB 2.170 65.340 63.200 -0.050 0.000 1.089 745 S HN -0.004 nan 8.310 nan 0.000 0.496 746 P HA 0.189 nan 4.420 nan 0.000 0.268 746 P C -0.739 176.503 177.300 -0.096 0.000 1.205 746 P CA -0.261 62.807 63.100 -0.053 0.000 0.771 746 P CB 0.222 31.900 31.700 -0.036 0.000 0.858 747 L N 2.316 123.434 121.223 -0.176 0.000 2.483 747 L HA 0.085 4.428 4.340 0.005 0.000 0.276 747 L C 1.000 177.661 176.870 -0.348 0.000 1.213 747 L CA 0.362 55.056 54.840 -0.242 0.000 0.843 747 L CB 0.027 41.834 42.059 -0.420 0.000 1.107 747 L HN 0.367 nan 8.230 nan 0.000 0.487 748 D N 1.170 121.538 120.400 -0.054 0.000 2.485 748 D HA 0.114 4.757 4.640 0.005 0.000 0.221 748 D C 0.480 176.883 176.300 0.171 0.000 1.112 748 D CA -0.295 53.735 54.000 0.050 0.000 0.911 748 D CB 0.519 41.467 40.800 0.246 0.000 1.019 748 D HN 0.261 nan 8.370 nan 0.000 0.516 749 Y N 1.703 122.158 120.300 0.259 0.000 2.333 749 Y HA -0.082 4.471 4.550 0.005 0.000 0.290 749 Y C 2.172 178.194 175.900 0.204 0.000 1.144 749 Y CA 0.757 58.993 58.100 0.227 0.000 1.228 749 Y CB -0.247 38.255 38.460 0.070 0.000 0.985 749 Y HN 0.413 nan 8.280 nan 0.000 0.542 750 E N -0.639 119.724 120.200 0.271 0.000 2.110 750 E HA -0.221 4.132 4.350 0.005 0.000 0.193 750 E C 2.291 178.954 176.600 0.105 0.000 0.988 750 E CA 1.349 57.845 56.400 0.160 0.000 0.804 750 E CB -0.424 29.348 29.700 0.120 0.000 0.745 750 E HN 0.522 nan 8.360 nan 0.000 0.458 751 H N -0.962 118.110 119.070 0.003 0.000 2.352 751 H HA -0.180 4.379 4.556 0.005 0.000 0.299 751 H C 1.533 176.705 175.328 -0.259 0.000 1.097 751 H CA 2.004 57.915 56.048 -0.229 0.000 1.311 751 H CB -0.167 29.336 29.762 -0.432 0.000 1.377 751 H HN 0.332 nan 8.280 nan 0.000 0.504 752 Y N 0.079 120.404 120.300 0.041 0.000 2.242 752 Y HA -0.167 4.386 4.550 0.004 0.000 0.291 752 Y C 2.744 178.570 175.900 -0.124 0.000 1.137 752 Y CA 0.960 59.037 58.100 -0.039 0.000 1.181 752 Y CB -0.347 38.131 38.460 0.032 0.000 0.989 752 Y HN 0.173 nan 8.280 nan 0.000 0.527 753 L N -0.644 120.633 121.223 0.090 0.000 2.017 753 L HA -0.175 4.168 4.340 0.005 0.000 0.208 753 L C 2.122 178.976 176.870 -0.028 0.000 1.073 753 L CA 2.230 57.090 54.840 0.033 0.000 0.745 753 L CB -1.097 41.010 42.059 0.079 0.000 0.894 753 L HN 0.096 nan 8.230 nan 0.000 0.432 754 T N -0.496 114.014 114.554 -0.073 0.000 2.896 754 T HA -0.006 4.347 4.350 0.005 0.000 0.263 754 T C 1.741 176.304 174.700 -0.229 0.000 1.050 754 T CA 0.975 63.003 62.100 -0.121 0.000 1.140 754 T CB -0.004 68.794 68.868 -0.116 0.000 0.877 754 T HN 0.227 nan 8.240 nan 0.000 0.457 755 R N 0.262 120.543 120.500 -0.366 0.000 2.334 755 R HA 0.329 4.672 4.340 0.005 0.000 0.212 755 R C 1.744 177.878 176.300 -0.277 0.000 0.897 755 R CA 0.292 56.151 56.100 -0.401 0.000 1.056 755 R CB 0.183 30.037 30.300 -0.744 0.000 1.046 755 R HN 0.354 nan 8.270 nan 0.000 0.513 756 Q N -0.361 119.289 119.800 -0.250 0.000 2.644 756 Q HA 0.267 4.610 4.340 0.005 0.000 0.220 756 Q C 2.206 178.066 176.000 -0.233 0.000 0.866 756 Q CA 0.345 56.009 55.803 -0.232 0.000 0.915 756 Q CB 0.195 28.808 28.738 -0.209 0.000 1.191 756 Q HN 0.135 nan 8.270 nan 0.000 0.641 757 L N 1.064 122.140 121.223 -0.244 0.000 2.044 757 L HA -0.126 4.217 4.340 0.005 0.000 0.205 757 L C 2.688 179.310 176.870 -0.414 0.000 1.075 757 L CA 1.241 55.897 54.840 -0.307 0.000 0.747 757 L CB -0.439 41.370 42.059 -0.417 0.000 0.903 757 L HN 0.322 nan 8.230 nan 0.000 0.435 758 Q N 0.199 119.639 119.800 -0.599 0.000 2.077 758 Q HA -0.192 4.151 4.340 0.005 0.000 0.206 758 Q C -0.580 175.111 176.000 -0.515 0.000 0.989 758 Q CA 2.194 57.420 55.803 -0.963 0.000 0.853 758 Q CB -0.670 27.794 28.738 -0.455 0.000 0.907 758 Q HN 0.330 nan 8.270 nan 0.000 0.418 759 P HA -0.129 nan 4.420 nan 0.000 0.217 759 P C 1.426 178.706 177.300 -0.033 0.000 1.150 759 P CA 1.149 64.184 63.100 -0.108 0.000 0.832 759 P CB -0.071 31.607 31.700 -0.037 0.000 0.787 760 V N 0.967 120.892 119.914 0.017 0.000 2.295 760 V HA -0.230 3.893 4.120 0.005 0.000 0.246 760 V C 2.862 179.007 176.094 0.085 0.000 1.049 760 V CA 2.384 64.754 62.300 0.117 0.000 1.024 760 V CB -1.720 30.198 31.823 0.158 0.000 0.648 760 V HN 0.106 nan 8.190 nan 0.000 0.447 761 A N -0.502 122.318 122.820 0.000 0.000 1.873 761 A HA -0.229 4.094 4.320 0.005 0.000 0.215 761 A C 2.137 179.676 177.584 -0.074 0.000 1.186 761 A CA 1.738 53.764 52.037 -0.019 0.000 0.616 761 A CB -0.529 18.481 19.000 0.017 0.000 0.823 761 A HN 0.606 nan 8.150 nan 0.000 0.442 762 E N -0.650 119.468 120.200 -0.136 0.000 2.333 762 E HA -0.107 4.246 4.350 0.005 0.000 0.198 762 E C 1.845 178.352 176.600 -0.154 0.000 1.007 762 E CA 0.504 56.832 56.400 -0.119 0.000 0.845 762 E CB -0.273 29.360 29.700 -0.112 0.000 0.766 762 E HN 0.643 nan 8.360 nan 0.000 0.507 763 G N 0.603 109.351 108.800 -0.086 0.000 2.534 763 G HA2 -0.122 3.841 3.960 0.005 0.000 0.217 763 G HA3 -0.122 3.841 3.960 0.005 0.000 0.217 763 G C 1.438 176.257 174.900 -0.135 0.000 1.128 763 G CA 0.223 45.293 45.100 -0.049 0.000 0.784 763 G HN 0.266 nan 8.290 nan 0.000 0.542 764 I N -1.485 118.935 120.570 -0.251 0.000 4.578 764 I HA 0.269 4.442 4.170 0.005 0.000 0.312 764 I C 2.093 178.020 176.117 -0.316 0.000 1.224 764 I CA -0.045 61.063 61.300 -0.320 0.000 1.318 764 I CB 0.197 37.790 38.000 -0.679 0.000 1.388 764 I HN -0.026 nan 8.210 nan 0.000 0.461 765 L N 2.190 123.251 121.223 -0.271 0.000 2.043 765 L HA -0.148 4.195 4.340 0.005 0.000 0.212 765 L C -0.660 176.105 176.870 -0.174 0.000 1.075 765 L CA 1.772 56.506 54.840 -0.176 0.000 0.752 765 L CB -2.105 39.938 42.059 -0.026 0.000 0.891 765 L HN 0.242 nan 8.230 nan 0.000 0.432 766 P HA -0.159 nan 4.420 nan 0.000 0.219 766 P C 1.335 178.505 177.300 -0.216 0.000 1.146 766 P CA 1.313 64.227 63.100 -0.311 0.000 0.808 766 P CB -0.033 31.365 31.700 -0.502 0.000 0.779 767 F N -0.716 119.173 119.950 -0.102 0.000 2.604 767 F HA 0.060 4.591 4.527 0.007 0.000 0.298 767 F C 1.748 177.481 175.800 -0.112 0.000 1.131 767 F CA 0.429 58.355 58.000 -0.123 0.000 1.457 767 F CB -1.011 37.893 39.000 -0.160 0.000 1.095 767 F HN -0.018 nan 8.300 nan 0.000 0.574 768 I N -2.776 117.824 120.570 0.050 0.000 3.569 768 I HA 0.356 4.529 4.170 0.005 0.000 0.334 768 I C -0.327 175.818 176.117 0.046 0.000 1.570 768 I CA -0.278 61.041 61.300 0.031 0.000 1.082 768 I CB -0.473 37.522 38.000 -0.010 0.000 1.323 768 I HN -0.026 nan 8.210 nan 0.000 0.489 769 E N 1.299 121.518 120.200 0.033 0.000 2.297 769 E HA -0.228 4.125 4.350 0.005 0.000 0.228 769 E C -0.471 176.156 176.600 0.044 0.000 1.213 769 E CA 0.779 57.198 56.400 0.030 0.000 0.712 769 E CB -1.004 28.717 29.700 0.035 0.000 1.202 769 E HN 0.722 nan 8.360 nan 0.000 0.376 770 D N -0.166 120.258 120.400 0.041 0.000 2.531 770 D HA 0.415 5.058 4.640 0.005 0.000 0.244 770 D C -1.192 175.136 176.300 0.046 0.000 1.090 770 D CA -0.665 53.380 54.000 0.075 0.000 0.989 770 D CB 1.461 42.368 40.800 0.177 0.000 1.433 770 D HN 0.040 nan 8.370 nan 0.000 0.492 771 N N 1.477 120.216 118.700 0.065 0.000 2.310 771 N HA 0.128 4.871 4.740 0.005 0.000 0.292 771 N C -0.053 175.519 175.510 0.103 0.000 1.049 771 N CA -0.444 52.643 53.050 0.062 0.000 0.849 771 N CB 1.127 39.629 38.487 0.026 0.000 1.532 771 N HN 0.334 nan 8.380 nan 0.000 0.479 772 F N 3.992 123.949 119.950 0.012 0.000 2.146 772 F HA 0.075 4.604 4.527 0.004 0.000 0.298 772 F C 2.053 177.862 175.800 0.015 0.000 1.096 772 F CA 1.878 59.899 58.000 0.034 0.000 1.275 772 F CB -0.109 38.913 39.000 0.036 0.000 1.008 772 F HN 0.662 nan 8.300 nan 0.000 0.480 773 A N -0.383 122.440 122.820 0.005 0.000 1.908 773 A HA -0.204 4.119 4.320 0.005 0.000 0.218 773 A C 2.182 179.670 177.584 -0.159 0.000 1.181 773 A CA 2.378 54.359 52.037 -0.093 0.000 0.627 773 A CB -1.482 17.528 19.000 0.017 0.000 0.818 773 A HN 0.450 nan 8.150 nan 0.000 0.445 774 T N 0.440 114.932 114.554 -0.102 0.000 2.788 774 T HA -0.070 4.283 4.350 0.005 0.000 0.268 774 T C 1.759 176.374 174.700 -0.142 0.000 1.044 774 T CA 1.476 63.521 62.100 -0.092 0.000 1.139 774 T CB -0.346 68.494 68.868 -0.046 0.000 0.867 774 T HN 0.397 nan 8.240 nan 0.000 0.454 775 L N 0.345 121.451 121.223 -0.195 0.000 2.109 775 L HA 0.038 4.381 4.340 0.005 0.000 0.207 775 L C 2.723 179.402 176.870 -0.318 0.000 1.086 775 L CA 0.777 55.487 54.840 -0.217 0.000 0.760 775 L CB -0.518 41.433 42.059 -0.180 0.000 0.910 775 L HN 0.266 nan 8.230 nan 0.000 0.437 776 M N 0.419 119.717 119.600 -0.503 0.000 2.123 776 M HA -0.139 4.344 4.480 0.005 0.000 0.263 776 M C 2.439 178.583 176.300 -0.261 0.000 1.069 776 M CA 2.477 57.493 55.300 -0.474 0.000 1.133 776 M CB -0.572 31.638 32.600 -0.651 0.000 1.356 776 M HN 0.391 nan 8.290 nan 0.000 0.415 777 T N -2.302 112.130 114.554 -0.203 0.000 2.915 777 T HA -0.010 4.343 4.350 0.005 0.000 0.269 777 T C 1.892 176.518 174.700 -0.125 0.000 1.071 777 T CA 1.262 63.281 62.100 -0.135 0.000 1.132 777 T CB -1.242 67.573 68.868 -0.088 0.000 0.878 777 T HN 0.498 nan 8.240 nan 0.000 0.479 778 G N 0.433 109.156 108.800 -0.129 0.000 2.443 778 G HA2 -0.111 3.852 3.960 0.005 0.000 0.219 778 G HA3 -0.111 3.852 3.960 0.005 0.000 0.219 778 G C 1.616 176.447 174.900 -0.115 0.000 1.131 778 G CA 0.693 45.729 45.100 -0.106 0.000 0.775 778 G HN 0.502 nan 8.290 nan 0.000 0.547 779 Q N -0.276 119.439 119.800 -0.142 0.000 2.134 779 Q HA 0.264 4.607 4.340 0.005 0.000 0.195 779 Q C 2.280 178.191 176.000 -0.147 0.000 0.958 779 Q CA 0.831 56.549 55.803 -0.141 0.000 0.840 779 Q CB -0.177 28.466 28.738 -0.158 0.000 0.918 779 Q HN 0.425 nan 8.270 nan 0.000 0.467 780 L N -0.819 120.306 121.223 -0.163 0.000 2.616 780 L HA 0.412 4.755 4.340 0.005 0.000 0.229 780 L C 0.820 177.553 176.870 -0.229 0.000 1.110 780 L CA 0.087 54.820 54.840 -0.179 0.000 0.884 780 L CB 0.145 42.109 42.059 -0.159 0.000 1.115 780 L HN 0.346 nan 8.230 nan 0.000 0.481 781 G N 0.270 108.954 108.800 -0.194 0.000 2.685 781 G HA2 -0.235 3.728 3.960 0.005 0.000 0.387 781 G HA3 -0.235 3.728 3.960 0.005 0.000 0.387 781 G C -0.107 174.705 174.900 -0.147 0.000 1.324 781 G CA -0.499 44.475 45.100 -0.209 0.000 0.878 781 G HN 0.016 nan 8.290 nan 0.000 0.527 782 L N 0.341 121.537 121.223 -0.045 0.000 2.592 782 L HA 0.445 4.788 4.340 0.005 0.000 0.227 782 L C 0.919 177.909 176.870 0.201 0.000 1.127 782 L CA 0.454 55.345 54.840 0.085 0.000 0.884 782 L CB -0.592 41.554 42.059 0.146 0.000 1.065 782 L HN 0.554 nan 8.230 nan 0.000 0.457 783 F N 0.000 119.943 119.950 -0.012 0.000 2.286 783 F HA 0.000 4.530 4.527 0.005 0.000 0.279 783 F CA 0.000 57.998 58.000 -0.004 0.000 1.383 783 F CB 0.000 38.998 39.000 -0.003 0.000 1.145 783 F HN 0.000 nan 8.300 nan 0.000 0.574