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 2cn3_1_A DATA FIRST_RESID 33 DATA SEQUENCE VTSVPYKWDN VVIGGGGGFM PGIVFNETEK DLIYARAAIG GAYRWDPSTE DATA SEQUENCE TWIPLLDHFQ MDEYSYYGVE SIATDPVDPN RVYIVAGMYT NDWLPNMGAI DATA SEQUENCE LRSTDRGETW EKTILPFKMG GNMPGRSMGE RLAIDPNDNR ILYLGTRCGN DATA SEQUENCE GLWRSTDYGV TWSKVESFPN PGTYIYDPNF DYTKDIIGVV WVVFDKSSST DATA SEQUENCE PGNPTKTIYV GVADKNESIY RSTDGGVTWK AVPGQPKGLL PHHGVLASNG DATA SEQUENCE MLYITYGDTC GPYDGNGKGQ VWKFNTRTGE WIDITPIPYS SSDNRFCFAG DATA SEQUENCE LAVDRQNPDI IMVTSMNAWW PDEYIFRSTD GGATWKNIWE WGMYPERILH DATA SEQUENCE YEIDISAAPW LDWGTEKQLP EINPKLGWMI GDIEIDPFNS DRMMYVTGAT DATA SEQUENCE IYGCDNLTDW DRGGKVKIEV KATGIEECAV LDLVSPPEGA PLVSAVGDLV DATA SEQUENCE GFVHDDLKVG PKKMHVPSYS SGTGIDYAEL VPNFMALVAK ADLYDVKKIS DATA SEQUENCE FSYDGGRNWF QPPNEAPNSV GGGSVAVAAD AKSVIWTPEN ASPAVTTDNG DATA SEQUENCE NSWKVCTNLG MGAVVASDRV NGKKFYAFYN GKFYISTDGG LTFTDTKAPQ DATA SEQUENCE LPKSVNKIKA VPGKEGHVWL AAREGGLWRS TDGGYTFEKL SNVDTAHVVG DATA SEQUENCE FGKAAPGQDY MAIYITGKID NVLGFFRSDD AGKTWVRIND DEHGYGAVDT DATA SEQUENCE AITGDPRVYG RVYIATNGRG IVYGEPAS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 33 V HA 0.000 nan 4.120 nan 0.000 0.244 33 V C 0.000 176.178 176.094 0.140 0.000 1.182 33 V CA 0.000 62.377 62.300 0.129 0.000 1.235 33 V CB 0.000 31.914 31.823 0.151 0.000 1.184 34 T N 3.215 117.854 114.554 0.143 0.000 2.927 34 T HA 0.802 5.151 4.350 -0.001 0.000 0.281 34 T C 0.036 174.821 174.700 0.142 0.000 0.998 34 T CA -0.526 61.648 62.100 0.122 0.000 1.019 34 T CB 1.728 70.656 68.868 0.100 0.000 1.061 34 T HN 0.813 nan 8.240 nan 0.000 0.518 35 S N 0.517 116.284 115.700 0.112 0.000 2.509 35 S HA 0.678 5.147 4.470 -0.001 0.000 0.297 35 S C -0.084 174.584 174.600 0.115 0.000 1.118 35 S CA -0.831 57.432 58.200 0.104 0.000 1.074 35 S CB 1.308 64.554 63.200 0.076 0.000 1.038 35 S HN 1.008 nan 8.310 nan 0.000 0.498 36 V N 0.410 120.406 119.914 0.137 0.000 2.628 36 V HA 0.735 4.854 4.120 -0.001 0.000 0.306 36 V C -2.777 173.457 176.094 0.233 0.000 1.045 36 V CA -2.786 59.621 62.300 0.178 0.000 0.905 36 V CB 1.285 33.242 31.823 0.223 0.000 0.997 36 V HN 0.664 nan 8.190 nan 0.000 0.436 37 P HA 0.346 nan 4.420 nan 0.000 0.276 37 P C -1.632 175.810 177.300 0.237 0.000 1.235 37 P CA 0.309 63.518 63.100 0.182 0.000 0.772 37 P CB 0.384 32.139 31.700 0.093 0.000 0.871 38 Y N 1.120 121.394 120.300 -0.043 0.000 2.536 38 Y HA 0.427 4.976 4.550 -0.001 0.000 0.347 38 Y C 0.689 176.386 175.900 -0.340 0.000 1.000 38 Y CA -0.930 57.021 58.100 -0.247 0.000 1.051 38 Y CB 2.469 40.709 38.460 -0.368 0.000 1.259 38 Y HN 0.249 nan 8.280 nan 0.000 0.468 39 K N 2.418 122.558 120.400 -0.433 0.000 2.213 39 K HA 0.370 4.689 4.320 -0.001 0.000 0.270 39 K C -1.845 174.387 176.600 -0.614 0.000 1.002 39 K CA -0.348 55.713 56.287 -0.376 0.000 0.868 39 K CB 0.744 33.072 32.500 -0.288 0.000 1.093 39 K HN 0.662 nan 8.250 nan 0.000 0.454 40 W N 2.738 123.919 121.300 -0.199 0.000 2.666 40 W HA 0.358 5.017 4.660 -0.001 0.000 0.334 40 W C -0.174 176.273 176.519 -0.120 0.000 1.051 40 W CA -0.241 57.014 57.345 -0.150 0.000 1.224 40 W CB 1.696 31.160 29.460 0.006 0.000 1.405 40 W HN 0.570 nan 8.180 nan 0.000 0.513 41 D N 0.536 120.935 120.400 -0.001 0.000 2.639 41 D HA 0.196 4.835 4.640 -0.001 0.000 0.271 41 D C -1.120 175.235 176.300 0.092 0.000 1.254 41 D CA -0.642 53.378 54.000 0.033 0.000 0.810 41 D CB 1.578 42.336 40.800 -0.071 0.000 1.351 41 D HN 0.197 nan 8.370 nan 0.000 0.427 42 N N 0.087 118.890 118.700 0.171 0.000 2.529 42 N HA 0.225 4.964 4.740 -0.001 0.000 0.278 42 N C -0.463 175.221 175.510 0.289 0.000 1.146 42 N CA -0.184 52.974 53.050 0.181 0.000 0.980 42 N CB 1.429 40.003 38.487 0.145 0.000 1.124 42 N HN 0.121 nan 8.380 nan 0.000 0.458 43 V N 2.676 122.730 119.914 0.232 0.000 2.521 43 V HA 0.023 4.142 4.120 -0.001 0.000 0.286 43 V C 0.538 176.647 176.094 0.026 0.000 1.034 43 V CA -0.444 61.888 62.300 0.052 0.000 1.045 43 V CB 1.031 32.759 31.823 -0.158 0.000 0.974 43 V HN 0.284 nan 8.190 nan 0.000 0.480 44 V N 7.405 127.347 119.914 0.046 0.000 2.470 44 V HA 0.143 4.262 4.120 -0.001 0.000 0.276 44 V C 1.008 177.115 176.094 0.020 0.000 1.040 44 V CA 0.385 62.716 62.300 0.053 0.000 1.008 44 V CB 0.692 32.551 31.823 0.059 0.000 0.990 44 V HN 0.749 nan 8.190 nan 0.000 0.477 45 I N 3.057 123.617 120.570 -0.016 0.000 2.927 45 I HA 0.362 4.532 4.170 -0.001 0.000 0.268 45 I C 1.203 177.326 176.117 0.009 0.000 1.153 45 I CA 0.968 62.164 61.300 -0.173 0.000 1.459 45 I CB 0.002 37.867 38.000 -0.225 0.000 1.149 45 I HN 0.904 nan 8.210 nan 0.000 0.443 46 G N 0.384 109.250 108.800 0.111 0.000 2.879 46 G HA2 0.143 4.102 3.960 -0.001 0.000 0.686 46 G HA3 0.143 4.102 3.960 -0.001 0.000 0.686 46 G C 0.538 175.603 174.900 0.275 0.000 1.115 46 G CA -0.486 44.711 45.100 0.162 0.000 0.770 46 G HN 0.874 nan 8.290 nan 0.000 0.601 47 G N -0.123 108.757 108.800 0.133 0.000 2.143 47 G HA2 0.366 4.325 3.960 -0.001 0.000 0.248 47 G HA3 0.366 4.325 3.960 -0.001 0.000 0.248 47 G C 1.651 176.634 174.900 0.137 0.000 0.991 47 G CA 0.865 46.009 45.100 0.073 0.000 0.689 47 G HN 3.221 nan 8.290 nan 0.000 0.522 48 G N -0.653 108.218 108.800 0.118 0.000 5.353 48 G HA2 0.270 4.229 3.960 -0.001 0.000 0.283 48 G HA3 0.270 4.229 3.960 -0.001 0.000 0.283 48 G C 1.544 176.533 174.900 0.148 0.000 1.457 48 G CA 2.062 47.195 45.100 0.056 0.000 0.951 48 G HN 2.563 nan 8.290 nan 0.000 0.731 49 G N -0.539 108.423 108.800 0.270 0.000 2.176 49 G HA2 0.385 4.345 3.960 -0.001 0.000 0.232 49 G HA3 0.385 4.345 3.960 -0.001 0.000 0.232 49 G C 1.460 176.475 174.900 0.192 0.000 0.986 49 G CA 1.015 46.234 45.100 0.199 0.000 0.643 49 G HN 2.482 nan 8.290 nan 0.000 0.522 50 G N -1.242 107.681 108.800 0.205 0.000 2.870 50 G HA2 0.630 4.590 3.960 -0.001 0.000 0.299 50 G HA3 0.630 4.590 3.960 -0.001 0.000 0.299 50 G C -1.273 173.792 174.900 0.276 0.000 1.324 50 G CA -0.537 44.709 45.100 0.244 0.000 0.808 50 G HN 0.828 nan 8.290 nan 0.000 0.535 51 F N 2.048 122.065 119.950 0.110 0.000 2.404 51 F HA 0.617 5.143 4.527 -0.001 0.000 0.358 51 F C 0.042 175.861 175.800 0.032 0.000 1.120 51 F CA -1.852 56.186 58.000 0.064 0.000 1.144 51 F CB 1.154 40.212 39.000 0.097 0.000 1.133 51 F HN 0.002 nan 8.300 nan 0.000 0.495 52 M N 9.531 128.992 119.600 -0.232 0.000 2.080 52 M HA 0.256 4.735 4.480 -0.001 0.000 0.350 52 M C -1.922 173.964 176.300 -0.690 0.000 1.143 52 M CA -2.157 52.913 55.300 -0.385 0.000 1.064 52 M CB 0.841 33.284 32.600 -0.261 0.000 1.429 52 M HN 0.298 nan 8.290 nan 0.000 0.418 53 P HA 0.017 nan 4.420 nan 0.000 0.230 53 P C 0.414 177.566 177.300 -0.247 0.000 1.158 53 P CA 0.657 63.252 63.100 -0.841 0.000 0.769 53 P CB 0.452 31.799 31.700 -0.590 0.000 0.807 54 G N -0.951 107.750 108.800 -0.165 0.000 2.742 54 G HA2 0.626 4.585 3.960 -0.001 0.000 0.296 54 G HA3 0.626 4.585 3.960 -0.001 0.000 0.296 54 G C -1.723 173.169 174.900 -0.014 0.000 1.436 54 G CA -0.394 44.697 45.100 -0.016 0.000 0.928 54 G HN -0.085 nan 8.290 nan 0.000 0.520 55 I N 0.758 121.355 120.570 0.044 0.000 2.509 55 I HA 0.538 4.708 4.170 -0.001 0.000 0.293 55 I C -0.646 175.556 176.117 0.141 0.000 1.020 55 I CA -1.194 60.143 61.300 0.062 0.000 1.088 55 I CB 2.549 40.588 38.000 0.066 0.000 1.267 55 I HN 0.161 nan 8.210 nan 0.000 0.430 56 V N 6.084 126.096 119.914 0.164 0.000 2.482 56 V HA 0.389 4.508 4.120 -0.001 0.000 0.295 56 V C -0.584 175.636 176.094 0.211 0.000 1.026 56 V CA -0.575 61.865 62.300 0.233 0.000 0.856 56 V CB 1.560 33.533 31.823 0.250 0.000 1.001 56 V HN 0.388 nan 8.190 nan 0.000 0.424 57 F N 3.275 123.345 119.950 0.201 0.000 2.384 57 F HA 0.337 4.863 4.527 -0.001 0.000 0.338 57 F C 1.062 177.005 175.800 0.239 0.000 1.103 57 F CA 0.002 58.122 58.000 0.200 0.000 1.157 57 F CB 0.848 39.930 39.000 0.137 0.000 1.167 57 F HN 0.483 nan 8.300 nan 0.000 0.529 58 N N 2.692 121.652 118.700 0.433 0.000 2.513 58 N HA -0.045 4.695 4.740 -0.001 0.000 0.268 58 N C 0.642 176.397 175.510 0.408 0.000 1.180 58 N CA 0.031 53.311 53.050 0.383 0.000 0.948 58 N CB 0.853 39.542 38.487 0.336 0.000 1.083 58 N HN 0.653 nan 8.380 nan 0.000 0.455 59 E N 1.362 121.752 120.200 0.317 0.000 2.358 59 E HA -0.071 4.278 4.350 -0.001 0.000 0.195 59 E C 1.122 177.926 176.600 0.340 0.000 1.010 59 E CA 1.020 57.569 56.400 0.249 0.000 0.856 59 E CB 0.282 30.086 29.700 0.173 0.000 0.795 59 E HN 0.815 nan 8.360 nan 0.000 0.504 60 T N -3.195 111.604 114.554 0.409 0.000 2.964 60 T HA 0.117 4.467 4.350 -0.001 0.000 0.250 60 T C 0.708 175.575 174.700 0.278 0.000 0.982 60 T CA -0.364 61.986 62.100 0.418 0.000 0.959 60 T CB 0.514 69.520 68.868 0.229 0.000 1.141 60 T HN -0.083 nan 8.240 nan 0.000 0.494 61 E N 1.770 122.065 120.200 0.157 0.000 2.134 61 E HA 0.359 4.708 4.350 -0.001 0.000 0.278 61 E C -0.609 175.848 176.600 -0.240 0.000 0.959 61 E CA -0.673 55.673 56.400 -0.090 0.000 0.783 61 E CB 1.095 30.798 29.700 0.005 0.000 1.095 61 E HN 0.277 nan 8.360 nan 0.000 0.399 62 K N 3.777 123.756 120.400 -0.701 0.000 2.448 62 K HA -0.067 4.252 4.320 -0.001 0.000 0.278 62 K C -0.391 176.151 176.600 -0.098 0.000 1.009 62 K CA 0.450 56.403 56.287 -0.557 0.000 0.995 62 K CB 0.386 32.507 32.500 -0.632 0.000 0.917 62 K HN 0.604 nan 8.250 nan 0.000 0.481 63 D N 0.819 121.274 120.400 0.092 0.000 2.946 63 D HA -0.211 4.428 4.640 -0.001 0.000 0.202 63 D C -0.529 175.843 176.300 0.120 0.000 1.068 63 D CA 0.794 54.884 54.000 0.149 0.000 1.011 63 D CB -0.812 40.069 40.800 0.135 0.000 1.105 63 D HN 0.319 nan 8.370 nan 0.000 0.425 64 L N 1.703 122.979 121.223 0.088 0.000 2.295 64 L HA 0.420 4.759 4.340 -0.001 0.000 0.288 64 L C -0.138 176.706 176.870 -0.044 0.000 1.079 64 L CA -0.022 54.830 54.840 0.020 0.000 0.830 64 L CB 0.058 42.164 42.059 0.079 0.000 1.200 64 L HN 0.027 nan 8.230 nan 0.000 0.438 65 I N 4.346 124.775 120.570 -0.235 0.000 2.647 65 I HA 0.422 4.592 4.170 -0.001 0.000 0.295 65 I C -1.178 174.853 176.117 -0.144 0.000 1.078 65 I CA -0.811 60.297 61.300 -0.320 0.000 1.048 65 I CB 1.848 39.413 38.000 -0.724 0.000 1.239 65 I HN 0.333 nan 8.210 nan 0.000 0.421 66 Y N 2.712 123.150 120.300 0.229 0.000 2.570 66 Y HA 0.835 5.385 4.550 -0.001 0.000 0.345 66 Y C 0.035 176.083 175.900 0.246 0.000 1.014 66 Y CA -0.936 57.386 58.100 0.369 0.000 1.063 66 Y CB 2.325 40.938 38.460 0.256 0.000 1.272 66 Y HN 0.663 nan 8.280 nan 0.000 0.477 67 A N 2.290 125.286 122.820 0.293 0.000 2.422 67 A HA 0.826 5.145 4.320 -0.001 0.000 0.302 67 A C -1.202 176.417 177.584 0.058 0.000 1.041 67 A CA -1.057 50.945 52.037 -0.059 0.000 0.708 67 A CB 1.316 19.894 19.000 -0.703 0.000 1.257 67 A HN 0.818 nan 8.150 nan 0.000 0.414 68 R N 1.391 121.892 120.500 0.001 0.000 2.589 68 R HA 0.840 5.179 4.340 -0.001 0.000 0.293 68 R C -0.317 175.952 176.300 -0.051 0.000 0.963 68 R CA -0.302 55.805 56.100 0.011 0.000 0.905 68 R CB 1.839 32.140 30.300 0.001 0.000 1.144 68 R HN 0.836 nan 8.270 nan 0.000 0.459 69 A N 1.745 124.566 122.820 0.002 0.000 2.320 69 A HA 0.643 4.962 4.320 -0.001 0.000 0.334 69 A C 0.816 178.378 177.584 -0.038 0.000 1.147 69 A CA -0.374 51.656 52.037 -0.011 0.000 0.820 69 A CB 1.468 20.536 19.000 0.114 0.000 1.218 69 A HN 0.966 nan 8.150 nan 0.000 0.482 70 A N 0.870 123.665 122.820 -0.042 0.000 1.898 70 A HA 0.060 4.379 4.320 -0.001 0.000 0.216 70 A C 1.412 178.993 177.584 -0.004 0.000 1.181 70 A CA 1.958 53.990 52.037 -0.007 0.000 0.620 70 A CB -0.564 18.496 19.000 0.100 0.000 0.819 70 A HN 1.469 nan 8.150 nan 0.000 0.442 71 I N -6.004 114.597 120.570 0.051 0.000 4.310 71 I HA 0.485 4.654 4.170 -0.001 0.000 0.328 71 I C 0.961 177.147 176.117 0.114 0.000 1.406 71 I CA 0.444 61.770 61.300 0.044 0.000 1.174 71 I CB 0.669 38.746 38.000 0.128 0.000 1.279 71 I HN 0.054 nan 8.210 nan 0.000 0.471 72 G N 0.661 109.551 108.800 0.150 0.000 3.863 72 G HA2 0.583 4.542 3.960 -0.001 0.000 0.290 72 G HA3 0.583 4.542 3.960 -0.001 0.000 0.290 72 G C 0.654 175.728 174.900 0.291 0.000 1.018 72 G CA 0.130 45.362 45.100 0.221 0.000 0.824 72 G HN 0.756 nan 8.290 nan 0.000 0.507 73 G N -0.099 108.861 108.800 0.267 0.000 2.525 73 G HA2 0.338 4.297 3.960 -0.001 0.000 0.248 73 G HA3 0.338 4.297 3.960 -0.001 0.000 0.248 73 G C 0.138 175.060 174.900 0.036 0.000 1.238 73 G CA -0.007 45.167 45.100 0.124 0.000 0.926 73 G HN 1.649 nan 8.290 nan 0.000 0.574 74 A N -1.540 121.249 122.820 -0.052 0.000 2.527 74 A HA 0.911 5.231 4.320 -0.001 0.000 0.293 74 A C -1.273 176.291 177.584 -0.033 0.000 1.117 74 A CA -0.396 51.676 52.037 0.059 0.000 0.723 74 A CB 1.461 20.518 19.000 0.095 0.000 1.313 74 A HN 1.505 nan 8.150 nan 0.000 0.411 75 Y N -0.406 120.044 120.300 0.250 0.000 2.545 75 Y HA 0.687 5.237 4.550 -0.001 0.000 0.348 75 Y C 0.247 176.470 175.900 0.537 0.000 1.002 75 Y CA -0.606 57.711 58.100 0.362 0.000 1.039 75 Y CB 2.161 40.804 38.460 0.306 0.000 1.271 75 Y HN 0.784 nan 8.280 nan 0.000 0.467 76 R N 2.396 123.263 120.500 0.611 0.000 2.514 76 R HA 0.201 4.540 4.340 -0.001 0.000 0.301 76 R C -1.056 175.403 176.300 0.265 0.000 0.962 76 R CA -0.636 55.633 56.100 0.282 0.000 0.882 76 R CB 1.081 31.401 30.300 0.033 0.000 1.143 76 R HN 0.903 nan 8.270 nan 0.000 0.452 77 W N 5.193 126.310 121.300 -0.304 0.000 2.210 77 W HA 0.033 4.692 4.660 -0.001 0.000 0.330 77 W C -0.872 175.398 176.519 -0.415 0.000 1.334 77 W CA 0.296 57.181 57.345 -0.765 0.000 1.227 77 W CB 0.916 29.743 29.460 -1.055 0.000 1.178 77 W HN 0.542 nan 8.180 nan 0.000 0.560 78 D N 8.232 128.083 120.400 -0.915 0.000 2.460 78 D HA 0.203 4.842 4.640 -0.001 0.000 0.232 78 D C -1.365 174.315 176.300 -1.034 0.000 1.079 78 D CA -2.478 51.096 54.000 -0.709 0.000 0.864 78 D CB 1.578 42.109 40.800 -0.448 0.000 1.048 78 D HN 0.102 nan 8.370 nan 0.000 0.523 79 P HA -0.132 nan 4.420 nan 0.000 0.223 79 P C 1.213 178.345 177.300 -0.279 0.000 1.151 79 P CA 0.700 63.563 63.100 -0.395 0.000 0.787 79 P CB 0.194 31.889 31.700 -0.009 0.000 0.788 80 S N -0.254 115.290 115.700 -0.259 0.000 2.406 80 S HA -0.093 4.376 4.470 -0.001 0.000 0.228 80 S C 1.850 176.334 174.600 -0.193 0.000 1.020 80 S CA 1.836 59.932 58.200 -0.173 0.000 0.965 80 S CB -1.839 61.280 63.200 -0.134 0.000 0.798 80 S HN 0.323 nan 8.310 nan 0.000 0.488 81 T N -1.761 112.620 114.554 -0.289 0.000 3.022 81 T HA 0.300 4.650 4.350 -0.001 0.000 0.250 81 T C 0.202 174.694 174.700 -0.346 0.000 1.060 81 T CA 0.119 62.063 62.100 -0.260 0.000 1.013 81 T CB -0.393 68.342 68.868 -0.222 0.000 0.982 81 T HN 0.359 nan 8.240 nan 0.000 0.508 82 E N 2.053 121.894 120.200 -0.597 0.000 2.297 82 E HA -0.161 4.188 4.350 -0.001 0.000 0.228 82 E C -0.152 175.941 176.600 -0.845 0.000 1.213 82 E CA 1.070 56.966 56.400 -0.840 0.000 0.712 82 E CB -2.171 27.430 29.700 -0.165 0.000 1.202 82 E HN 0.901 nan 8.360 nan 0.000 0.376 83 T N -3.716 110.253 114.554 -0.974 0.000 2.865 83 T HA 0.650 5.000 4.350 -0.001 0.000 0.294 83 T C -0.479 173.898 174.700 -0.539 0.000 1.119 83 T CA -0.921 60.877 62.100 -0.502 0.000 1.007 83 T CB 1.398 70.154 68.868 -0.187 0.000 1.225 83 T HN 0.209 nan 8.240 nan 0.000 0.515 84 W N 0.439 121.709 121.300 -0.049 0.000 2.496 84 W HA 0.718 5.377 4.660 -0.001 0.000 0.327 84 W C -0.404 176.250 176.519 0.224 0.000 1.086 84 W CA -1.052 56.359 57.345 0.109 0.000 1.222 84 W CB 1.126 30.632 29.460 0.077 0.000 1.304 84 W HN 0.555 nan 8.180 nan 0.000 0.547 85 I N 5.718 126.598 120.570 0.517 0.000 2.362 85 I HA 0.253 4.423 4.170 -0.001 0.000 0.289 85 I C -1.874 174.475 176.117 0.387 0.000 0.994 85 I CA -2.393 59.134 61.300 0.379 0.000 1.158 85 I CB 1.451 39.561 38.000 0.184 0.000 1.315 85 I HN -0.023 nan 8.210 nan 0.000 0.451 86 P HA 0.135 nan 4.420 nan 0.000 0.271 86 P C 0.053 177.336 177.300 -0.029 0.000 1.216 86 P CA -0.045 62.907 63.100 -0.246 0.000 0.771 86 P CB 1.403 33.026 31.700 -0.129 0.000 0.864 87 L N 2.154 123.359 121.223 -0.030 0.000 2.609 87 L HA 0.229 4.568 4.340 -0.001 0.000 0.230 87 L C 1.560 178.535 176.870 0.176 0.000 1.087 87 L CA 0.397 55.354 54.840 0.196 0.000 0.874 87 L CB -0.007 42.293 42.059 0.402 0.000 1.114 87 L HN 0.301 nan 8.230 nan 0.000 0.488 88 L N -0.736 120.456 121.223 -0.053 0.000 3.066 88 L HA 0.194 4.533 4.340 -0.001 0.000 0.265 88 L C 0.603 177.239 176.870 -0.390 0.000 1.232 88 L CA -0.188 54.471 54.840 -0.302 0.000 1.031 88 L CB 0.295 42.123 42.059 -0.385 0.000 1.379 88 L HN 0.017 nan 8.230 nan 0.000 0.563 89 D N 0.151 120.462 120.400 -0.148 0.000 2.350 89 D HA -0.143 4.496 4.640 -0.001 0.000 0.216 89 D C 1.841 177.944 176.300 -0.329 0.000 0.968 89 D CA 1.009 54.916 54.000 -0.155 0.000 0.894 89 D CB 0.073 40.713 40.800 -0.267 0.000 0.909 89 D HN 0.604 nan 8.370 nan 0.000 0.520 90 H N -1.201 117.638 119.070 -0.384 0.000 2.491 90 H HA -0.027 4.528 4.556 -0.001 0.000 0.290 90 H C 0.241 175.397 175.328 -0.286 0.000 1.050 90 H CA 0.116 55.931 56.048 -0.390 0.000 1.309 90 H CB -0.651 28.863 29.762 -0.413 0.000 1.392 90 H HN -0.095 nan 8.280 nan 0.000 0.554 91 F N 3.323 122.881 119.950 -0.653 0.000 2.557 91 F HA 0.071 4.597 4.527 -0.001 0.000 0.384 91 F C 0.859 176.654 175.800 -0.008 0.000 1.057 91 F CA -0.165 57.620 58.000 -0.359 0.000 1.169 91 F CB 0.309 38.966 39.000 -0.572 0.000 1.070 91 F HN 0.295 nan 8.300 nan 0.000 0.554 92 Q N 3.867 123.787 119.800 0.200 0.000 2.189 92 Q HA 0.193 4.532 4.340 -0.001 0.000 0.193 92 Q C 1.677 177.788 176.000 0.185 0.000 1.034 92 Q CA -0.448 55.433 55.803 0.129 0.000 1.062 92 Q CB 0.502 29.272 28.738 0.054 0.000 1.118 92 Q HN 0.792 nan 8.270 nan 0.000 0.569 93 M N -0.318 119.365 119.600 0.138 0.000 2.279 93 M HA -0.143 4.336 4.480 -0.001 0.000 0.264 93 M C 0.801 177.164 176.300 0.104 0.000 1.062 93 M CA 2.147 57.517 55.300 0.117 0.000 1.099 93 M CB -0.511 32.136 32.600 0.079 0.000 1.394 93 M HN 0.433 nan 8.290 nan 0.000 0.426 94 D N 0.661 121.117 120.400 0.094 0.000 2.348 94 D HA -0.139 4.501 4.640 -0.001 0.000 0.216 94 D C 0.572 176.869 176.300 -0.005 0.000 0.970 94 D CA 0.935 54.969 54.000 0.056 0.000 0.889 94 D CB -0.444 40.392 40.800 0.060 0.000 0.912 94 D HN 0.663 nan 8.370 nan 0.000 0.524 95 E N -1.081 119.123 120.200 0.007 0.000 2.789 95 E HA 0.015 4.364 4.350 -0.001 0.000 0.208 95 E C 0.269 176.743 176.600 -0.210 0.000 0.988 95 E CA -0.508 55.767 56.400 -0.208 0.000 1.092 95 E CB 0.082 29.735 29.700 -0.078 0.000 1.066 95 E HN 0.110 nan 8.360 nan 0.000 0.465 96 Y N 1.478 121.725 120.300 -0.087 0.000 2.181 96 Y HA -0.337 4.212 4.550 -0.001 0.000 0.284 96 Y C 2.372 178.249 175.900 -0.039 0.000 1.179 96 Y CA 1.977 60.116 58.100 0.065 0.000 1.179 96 Y CB -0.387 38.083 38.460 0.017 0.000 0.973 96 Y HN 0.095 nan 8.280 nan 0.000 0.519 97 S N -0.787 114.637 115.700 -0.460 0.000 2.402 97 S HA -0.238 4.231 4.470 -0.001 0.000 0.233 97 S C 1.609 175.868 174.600 -0.570 0.000 1.030 97 S CA 1.551 59.392 58.200 -0.599 0.000 1.003 97 S CB -0.677 62.187 63.200 -0.561 0.000 0.813 97 S HN 0.605 nan 8.310 nan 0.000 0.477 98 Y N 0.006 119.925 120.300 -0.635 0.000 2.578 98 Y HA 0.192 4.742 4.550 -0.001 0.000 0.297 98 Y C 1.307 176.763 175.900 -0.740 0.000 1.176 98 Y CA -0.599 56.980 58.100 -0.869 0.000 1.315 98 Y CB -1.052 36.427 38.460 -1.635 0.000 1.031 98 Y HN 0.404 nan 8.280 nan 0.000 0.524 99 Y N -0.413 119.683 120.300 -0.340 0.000 2.561 99 Y HA 0.136 4.686 4.550 -0.001 0.000 0.291 99 Y C 1.883 177.646 175.900 -0.228 0.000 1.141 99 Y CA 0.150 58.129 58.100 -0.203 0.000 1.303 99 Y CB -0.152 38.237 38.460 -0.119 0.000 1.015 99 Y HN -0.021 nan 8.280 nan 0.000 0.547 100 G N 0.886 109.563 108.800 -0.204 0.000 2.444 100 G HA2 0.378 4.337 3.960 -0.001 0.000 0.303 100 G HA3 0.378 4.337 3.960 -0.001 0.000 0.303 100 G C -0.851 173.953 174.900 -0.159 0.000 1.032 100 G CA -0.244 44.729 45.100 -0.211 0.000 1.137 100 G HN -0.029 nan 8.290 nan 0.000 0.430 101 V N 3.246 123.093 119.914 -0.112 0.000 2.304 101 V HA 0.126 4.246 4.120 -0.001 0.000 0.269 101 V C 1.192 177.237 176.094 -0.082 0.000 1.036 101 V CA -0.301 61.938 62.300 -0.101 0.000 0.840 101 V CB 1.006 32.785 31.823 -0.075 0.000 1.036 101 V HN 0.966 nan 8.190 nan 0.000 0.466 102 E N 3.761 123.909 120.200 -0.085 0.000 2.107 102 E HA -0.040 4.309 4.350 -0.001 0.000 0.191 102 E C 0.888 177.471 176.600 -0.028 0.000 0.982 102 E CA 1.053 57.416 56.400 -0.061 0.000 0.809 102 E CB 0.306 29.963 29.700 -0.072 0.000 0.756 102 E HN 0.642 nan 8.360 nan 0.000 0.459 103 S N -1.359 114.329 115.700 -0.021 0.000 2.547 103 S HA 0.497 4.966 4.470 -0.001 0.000 0.270 103 S C -1.811 172.812 174.600 0.039 0.000 1.150 103 S CA -0.867 57.349 58.200 0.027 0.000 0.850 103 S CB 0.936 64.165 63.200 0.049 0.000 1.118 103 S HN 0.232 nan 8.310 nan 0.000 0.461 104 I N 2.765 123.382 120.570 0.078 0.000 2.582 104 I HA 0.829 4.998 4.170 -0.001 0.000 0.292 104 I C -0.841 175.353 176.117 0.129 0.000 1.066 104 I CA -0.483 60.868 61.300 0.085 0.000 1.053 104 I CB 1.684 39.724 38.000 0.066 0.000 1.241 104 I HN 0.816 nan 8.210 nan 0.000 0.421 105 A N 4.449 127.364 122.820 0.159 0.000 2.356 105 A HA 0.689 5.008 4.320 -0.001 0.000 0.310 105 A C -0.732 176.972 177.584 0.201 0.000 1.075 105 A CA -0.501 51.664 52.037 0.215 0.000 0.746 105 A CB 1.702 20.863 19.000 0.268 0.000 1.221 105 A HN 0.591 nan 8.150 nan 0.000 0.443 106 T N 1.167 115.836 114.554 0.191 0.000 2.779 106 T HA 0.371 4.721 4.350 -0.001 0.000 0.280 106 T C -0.873 173.976 174.700 0.248 0.000 0.987 106 T CA -0.468 61.744 62.100 0.187 0.000 0.966 106 T CB 0.620 69.654 68.868 0.278 0.000 0.933 106 T HN 0.632 nan 8.240 nan 0.000 0.442 107 D N 5.854 126.401 120.400 0.245 0.000 2.371 107 D HA 0.178 4.818 4.640 -0.001 0.000 0.256 107 D C -1.285 175.132 176.300 0.195 0.000 1.193 107 D CA -1.974 52.169 54.000 0.238 0.000 0.881 107 D CB 1.869 42.821 40.800 0.252 0.000 1.143 107 D HN 0.342 nan 8.370 nan 0.000 0.473 108 P HA -0.066 nan 4.420 nan 0.000 0.227 108 P C 1.422 178.800 177.300 0.130 0.000 1.161 108 P CA 0.193 63.390 63.100 0.161 0.000 0.788 108 P CB 0.644 32.432 31.700 0.147 0.000 0.822 109 V N 0.413 120.397 119.914 0.116 0.000 2.331 109 V HA -0.028 4.092 4.120 -0.001 0.000 0.242 109 V C 1.053 177.205 176.094 0.096 0.000 1.034 109 V CA 1.780 64.138 62.300 0.097 0.000 1.027 109 V CB -0.836 31.041 31.823 0.089 0.000 0.667 109 V HN 0.099 nan 8.190 nan 0.000 0.457 110 D N -0.279 120.187 120.400 0.110 0.000 2.462 110 D HA 0.276 4.916 4.640 -0.001 0.000 0.249 110 D C -2.193 174.162 176.300 0.091 0.000 1.117 110 D CA -2.373 51.677 54.000 0.084 0.000 0.900 110 D CB 1.748 42.587 40.800 0.066 0.000 1.039 110 D HN 0.098 nan 8.370 nan 0.000 0.516 111 P HA -0.043 nan 4.420 nan 0.000 0.231 111 P C 0.839 178.192 177.300 0.090 0.000 1.158 111 P CA 0.455 63.625 63.100 0.115 0.000 0.763 111 P CB 0.303 32.068 31.700 0.108 0.000 0.805 112 N N -0.479 118.241 118.700 0.034 0.000 2.381 112 N HA -0.053 4.686 4.740 -0.001 0.000 0.182 112 N C 0.690 176.162 175.510 -0.064 0.000 1.025 112 N CA 0.694 53.735 53.050 -0.016 0.000 0.888 112 N CB -0.175 38.282 38.487 -0.050 0.000 0.965 112 N HN 0.259 nan 8.380 nan 0.000 0.438 113 R N 0.339 120.812 120.500 -0.046 0.000 2.357 113 R HA 0.451 4.790 4.340 -0.001 0.000 0.296 113 R C -0.672 175.539 176.300 -0.150 0.000 1.052 113 R CA -0.274 55.736 56.100 -0.150 0.000 0.988 113 R CB 2.089 32.361 30.300 -0.047 0.000 1.025 113 R HN -0.186 nan 8.270 nan 0.000 0.469 114 V N 4.219 123.903 119.914 -0.383 0.000 2.932 114 V HA 0.506 4.625 4.120 -0.001 0.000 0.307 114 V C -1.862 174.045 176.094 -0.311 0.000 1.147 114 V CA -0.667 61.466 62.300 -0.279 0.000 0.951 114 V CB 1.907 33.508 31.823 -0.371 0.000 1.031 114 V HN 0.693 nan 8.190 nan 0.000 0.426 115 Y N 5.237 125.625 120.300 0.148 0.000 2.512 115 Y HA 0.753 5.302 4.550 -0.001 0.000 0.348 115 Y C -0.053 175.940 175.900 0.154 0.000 0.990 115 Y CA -0.813 57.431 58.100 0.241 0.000 1.033 115 Y CB 2.292 40.886 38.460 0.224 0.000 1.259 115 Y HN 0.483 nan 8.280 nan 0.000 0.461 116 I N 2.440 123.150 120.570 0.234 0.000 2.533 116 I HA 0.352 4.521 4.170 -0.001 0.000 0.290 116 I C -1.172 174.909 176.117 -0.061 0.000 1.056 116 I CA -1.150 60.157 61.300 0.011 0.000 1.057 116 I CB 2.241 40.117 38.000 -0.207 0.000 1.240 116 I HN 0.380 nan 8.210 nan 0.000 0.423 117 V N 6.717 126.583 119.914 -0.081 0.000 2.385 117 V HA 0.815 4.934 4.120 -0.001 0.000 0.269 117 V C -0.049 175.937 176.094 -0.181 0.000 1.043 117 V CA 0.064 62.267 62.300 -0.162 0.000 0.906 117 V CB 0.879 32.616 31.823 -0.144 0.000 0.995 117 V HN 0.780 nan 8.190 nan 0.000 0.467 118 A N 4.936 127.607 122.820 -0.247 0.000 2.365 118 A HA 1.029 5.349 4.320 -0.001 0.000 0.318 118 A C 0.172 177.701 177.584 -0.093 0.000 1.091 118 A CA -0.138 51.766 52.037 -0.221 0.000 0.763 118 A CB 1.717 20.499 19.000 -0.364 0.000 1.248 118 A HN 2.341 nan 8.150 nan 0.000 0.442 119 G N 0.662 109.428 108.800 -0.055 0.000 2.220 119 G HA2 0.287 4.246 3.960 -0.001 0.000 0.232 119 G HA3 0.287 4.246 3.960 -0.001 0.000 0.232 119 G C -0.098 174.688 174.900 -0.189 0.000 1.680 119 G CA 0.058 45.112 45.100 -0.077 0.000 0.922 119 G HN 0.923 nan 8.290 nan 0.000 0.723 120 M N 0.851 120.268 119.600 -0.304 0.000 2.325 120 M HA 0.371 4.851 4.480 -0.001 0.000 0.265 120 M C -0.161 175.790 176.300 -0.582 0.000 1.094 120 M CA 0.999 55.981 55.300 -0.531 0.000 1.161 120 M CB 0.310 32.428 32.600 -0.803 0.000 1.358 120 M HN 0.536 nan 8.290 nan 0.000 0.446 121 Y N -1.166 119.137 120.300 0.004 0.000 2.512 121 Y HA 0.274 4.823 4.550 -0.001 0.000 0.348 121 Y C 1.065 176.940 175.900 -0.040 0.000 0.990 121 Y CA -1.095 57.016 58.100 0.019 0.000 1.033 121 Y CB 1.267 39.785 38.460 0.097 0.000 1.259 121 Y HN 0.051 nan 8.280 nan 0.000 0.461 122 T N -3.024 111.582 114.554 0.087 0.000 3.081 122 T HA 0.068 4.417 4.350 -0.001 0.000 0.250 122 T C 0.459 175.140 174.700 -0.030 0.000 1.100 122 T CA 0.179 62.282 62.100 0.006 0.000 1.038 122 T CB -0.424 68.425 68.868 -0.032 0.000 0.962 122 T HN 0.608 nan 8.240 nan 0.000 0.516 123 N N 1.462 120.116 118.700 -0.076 0.000 2.547 123 N HA 0.194 4.933 4.740 -0.001 0.000 0.301 123 N C -0.065 175.417 175.510 -0.046 0.000 1.328 123 N CA -0.635 52.331 53.050 -0.140 0.000 0.932 123 N CB -0.084 38.184 38.487 -0.365 0.000 1.104 123 N HN -0.173 nan 8.380 nan 0.000 0.548 124 D N -1.829 118.551 120.400 -0.034 0.000 2.342 124 D HA 0.094 4.734 4.640 -0.001 0.000 0.221 124 D C 0.699 177.123 176.300 0.207 0.000 1.101 124 D CA -0.117 53.929 54.000 0.077 0.000 0.837 124 D CB -0.292 40.551 40.800 0.072 0.000 0.938 124 D HN 0.413 nan 8.370 nan 0.000 0.508 125 W N 0.820 122.113 121.300 -0.012 0.000 2.350 125 W HA 0.040 4.700 4.660 -0.001 0.000 0.289 125 W C 0.747 177.288 176.519 0.036 0.000 1.215 125 W CA 0.429 57.733 57.345 -0.068 0.000 1.236 125 W CB -0.292 28.959 29.460 -0.348 0.000 1.130 125 W HN -0.035 nan 8.180 nan 0.000 0.541 126 L N 0.419 121.837 121.223 0.325 0.000 2.388 126 L HA 0.241 4.580 4.340 -0.001 0.000 0.264 126 L C -1.149 175.782 176.870 0.102 0.000 0.998 126 L CA -1.779 53.183 54.840 0.204 0.000 0.817 126 L CB 2.687 44.874 42.059 0.214 0.000 1.338 126 L HN -0.430 nan 8.230 nan 0.000 0.414 127 P HA 0.001 nan 4.420 nan 0.000 0.239 127 P C -0.273 177.012 177.300 -0.025 0.000 1.188 127 P CA 0.314 63.424 63.100 0.017 0.000 0.794 127 P CB 0.226 31.936 31.700 0.016 0.000 0.937 128 N N 0.918 119.566 118.700 -0.087 0.000 2.454 128 N HA 0.068 4.807 4.740 -0.001 0.000 0.254 128 N C 0.593 176.047 175.510 -0.092 0.000 1.228 128 N CA 0.028 52.990 53.050 -0.146 0.000 0.900 128 N CB 0.394 38.638 38.487 -0.405 0.000 1.089 128 N HN -0.040 nan 8.380 nan 0.000 0.449 129 M N 0.997 120.564 119.600 -0.055 0.000 2.198 129 M HA 0.158 4.637 4.480 -0.001 0.000 0.315 129 M C 1.319 177.595 176.300 -0.040 0.000 1.134 129 M CA -0.390 54.865 55.300 -0.073 0.000 1.171 129 M CB -0.167 32.371 32.600 -0.103 0.000 1.413 129 M HN 0.531 nan 8.290 nan 0.000 0.467 130 G N 0.509 109.212 108.800 -0.163 0.000 2.636 130 G HA2 0.531 4.490 3.960 -0.001 0.000 0.246 130 G HA3 0.531 4.490 3.960 -0.001 0.000 0.246 130 G C -1.012 173.713 174.900 -0.291 0.000 1.216 130 G CA -0.189 44.801 45.100 -0.184 0.000 0.854 130 G HN 0.905 nan 8.290 nan 0.000 0.572 131 A N 0.051 122.640 122.820 -0.384 0.000 2.549 131 A HA 0.621 4.940 4.320 -0.001 0.000 0.297 131 A C -0.865 176.446 177.584 -0.455 0.000 1.061 131 A CA -0.632 51.110 52.037 -0.492 0.000 0.690 131 A CB 1.464 20.017 19.000 -0.746 0.000 1.287 131 A HN 0.531 nan 8.150 nan 0.000 0.402 132 I N 2.490 122.838 120.570 -0.369 0.000 2.321 132 I HA 0.296 4.465 4.170 -0.001 0.000 0.291 132 I C -0.395 175.694 176.117 -0.046 0.000 0.998 132 I CA -0.121 61.048 61.300 -0.219 0.000 1.227 132 I CB 0.796 38.663 38.000 -0.221 0.000 1.368 132 I HN 0.503 nan 8.210 nan 0.000 0.466 133 L N 7.419 128.627 121.223 -0.026 0.000 2.307 133 L HA 0.560 4.900 4.340 -0.001 0.000 0.282 133 L C 0.340 177.445 176.870 0.391 0.000 1.051 133 L CA -0.770 54.118 54.840 0.080 0.000 0.804 133 L CB 0.887 42.782 42.059 -0.273 0.000 1.197 133 L HN 0.618 nan 8.230 nan 0.000 0.431 134 R N 1.521 122.294 120.500 0.455 0.000 2.621 134 R HA 0.773 5.112 4.340 -0.001 0.000 0.292 134 R C -1.082 175.226 176.300 0.014 0.000 0.969 134 R CA -0.598 55.640 56.100 0.230 0.000 0.887 134 R CB 2.094 32.523 30.300 0.215 0.000 1.180 134 R HN 0.524 nan 8.270 nan 0.000 0.450 135 S N 0.325 115.766 115.700 -0.430 0.000 2.549 135 S HA 0.353 4.822 4.470 -0.001 0.000 0.280 135 S C -0.075 174.217 174.600 -0.514 0.000 1.109 135 S CA -0.483 57.308 58.200 -0.683 0.000 0.905 135 S CB 1.891 64.228 63.200 -1.438 0.000 1.081 135 S HN 0.735 nan 8.310 nan 0.000 0.477 136 T N -0.184 114.134 114.554 -0.394 0.000 3.174 136 T HA 0.318 4.667 4.350 -0.001 0.000 0.269 136 T C -0.077 174.483 174.700 -0.234 0.000 1.017 136 T CA 0.130 62.061 62.100 -0.281 0.000 0.899 136 T CB -0.247 68.489 68.868 -0.220 0.000 1.077 136 T HN 0.646 nan 8.240 nan 0.000 0.552 137 D N 0.098 120.330 120.400 -0.281 0.000 2.682 137 D HA 0.070 4.709 4.640 -0.001 0.000 0.291 137 D C 0.047 176.246 176.300 -0.169 0.000 1.585 137 D CA -0.492 53.385 54.000 -0.206 0.000 0.845 137 D CB -0.178 40.500 40.800 -0.204 0.000 1.323 137 D HN 0.267 nan 8.370 nan 0.000 0.438 138 R N 0.301 120.715 120.500 -0.144 0.000 2.734 138 R HA 0.574 4.913 4.340 -0.001 0.000 0.268 138 R C 0.433 176.675 176.300 -0.096 0.000 1.785 138 R CA 0.018 56.053 56.100 -0.108 0.000 1.461 138 R CB 1.249 31.595 30.300 0.078 0.000 1.308 138 R HN 0.116 nan 8.270 nan 0.000 0.586 139 G N 0.596 109.096 108.800 -0.499 0.000 2.175 139 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.244 139 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.244 139 G C 0.846 175.575 174.900 -0.286 0.000 0.982 139 G CA -0.040 44.761 45.100 -0.499 0.000 0.641 139 G HN 0.442 nan 8.290 nan 0.000 0.527 140 E N 0.344 120.360 120.200 -0.308 0.000 2.072 140 E HA 0.040 4.389 4.350 -0.001 0.000 0.190 140 E C 1.637 178.077 176.600 -0.267 0.000 0.982 140 E CA 1.802 58.086 56.400 -0.193 0.000 0.803 140 E CB -0.121 29.491 29.700 -0.147 0.000 0.755 140 E HN 0.889 nan 8.360 nan 0.000 0.453 141 T N -2.588 111.691 114.554 -0.459 0.000 2.906 141 T HA 0.572 4.921 4.350 -0.001 0.000 0.295 141 T C -1.026 173.288 174.700 -0.644 0.000 1.061 141 T CA -0.922 60.929 62.100 -0.415 0.000 1.000 141 T CB 1.467 70.172 68.868 -0.273 0.000 1.103 141 T HN 0.031 nan 8.240 nan 0.000 0.486 142 W N -0.029 121.109 121.300 -0.269 0.000 3.033 142 W HA 0.665 5.324 4.660 -0.001 0.000 0.336 142 W C -0.211 176.201 176.519 -0.179 0.000 1.173 142 W CA -0.710 56.509 57.345 -0.210 0.000 1.185 142 W CB 1.922 31.261 29.460 -0.200 0.000 1.425 142 W HN 0.779 nan 8.180 nan 0.000 0.536 143 E N 1.362 121.664 120.200 0.170 0.000 2.359 143 E HA 0.574 4.924 4.350 -0.001 0.000 0.266 143 E C -0.959 175.733 176.600 0.153 0.000 0.920 143 E CA -1.331 55.135 56.400 0.110 0.000 0.788 143 E CB 2.735 32.472 29.700 0.062 0.000 1.279 143 E HN 0.376 nan 8.360 nan 0.000 0.438 144 K N -0.386 120.073 120.400 0.098 0.000 2.477 144 K HA 0.597 4.916 4.320 -0.001 0.000 0.255 144 K C -1.288 175.340 176.600 0.047 0.000 0.952 144 K CA -0.775 55.543 56.287 0.053 0.000 0.826 144 K CB 2.077 34.554 32.500 -0.038 0.000 1.331 144 K HN 0.263 nan 8.250 nan 0.000 0.437 145 T N 2.450 117.022 114.554 0.031 0.000 2.786 145 T HA 0.382 4.732 4.350 -0.001 0.000 0.283 145 T C -0.374 174.274 174.700 -0.087 0.000 0.992 145 T CA -0.625 61.497 62.100 0.036 0.000 0.954 145 T CB 0.423 69.394 68.868 0.171 0.000 0.934 145 T HN 0.403 nan 8.240 nan 0.000 0.440 146 I N 3.748 124.271 120.570 -0.078 0.000 2.496 146 I HA 0.255 4.424 4.170 -0.001 0.000 0.285 146 I C 0.190 176.192 176.117 -0.192 0.000 1.080 146 I CA -0.046 61.172 61.300 -0.137 0.000 1.404 146 I CB 0.380 38.349 38.000 -0.052 0.000 1.403 146 I HN 0.438 nan 8.210 nan 0.000 0.539 147 L N 7.957 128.955 121.223 -0.376 0.000 2.387 147 L HA 0.467 4.806 4.340 -0.001 0.000 0.266 147 L C -1.484 175.076 176.870 -0.516 0.000 1.059 147 L CA -1.431 53.051 54.840 -0.597 0.000 0.801 147 L CB 0.827 42.154 42.059 -1.219 0.000 1.223 147 L HN 0.456 nan 8.230 nan 0.000 0.456 148 P HA 0.071 nan 4.420 nan 0.000 0.255 148 P C -0.871 176.384 177.300 -0.076 0.000 1.357 148 P CA 0.435 63.451 63.100 -0.140 0.000 0.839 148 P CB -0.272 31.486 31.700 0.097 0.000 1.356 149 F N -2.391 117.430 119.950 -0.215 0.000 2.715 149 F HA 0.656 5.182 4.527 -0.001 0.000 0.318 149 F C -0.460 175.225 175.800 -0.191 0.000 1.141 149 F CA -1.826 56.056 58.000 -0.198 0.000 0.950 149 F CB 1.034 39.874 39.000 -0.266 0.000 1.374 149 F HN -0.488 nan 8.300 nan 0.000 0.477 150 K N 0.889 121.348 120.400 0.098 0.000 2.098 150 K HA 0.602 4.922 4.320 -0.001 0.000 0.258 150 K C -0.995 175.636 176.600 0.052 0.000 0.973 150 K CA -0.889 55.403 56.287 0.008 0.000 0.898 150 K CB 1.463 33.969 32.500 0.010 0.000 1.057 150 K HN 0.522 nan 8.250 nan 0.000 0.447 151 M N 0.121 119.702 119.600 -0.031 0.000 2.573 151 M HA 0.325 4.804 4.480 -0.001 0.000 0.309 151 M C 0.481 176.751 176.300 -0.051 0.000 1.202 151 M CA -0.179 55.095 55.300 -0.043 0.000 0.975 151 M CB 1.734 34.278 32.600 -0.093 0.000 1.600 151 M HN 0.725 nan 8.290 nan 0.000 0.479 152 G N -0.186 108.581 108.800 -0.056 0.000 4.956 152 G HA2 0.429 4.388 3.960 -0.001 0.000 0.290 152 G HA3 0.429 4.388 3.960 -0.001 0.000 0.290 152 G C 0.748 175.611 174.900 -0.062 0.000 1.352 152 G CA -0.201 44.870 45.100 -0.048 0.000 0.983 152 G HN 0.971 nan 8.290 nan 0.000 0.581 153 G N 1.122 109.851 108.800 -0.118 0.000 2.475 153 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.220 153 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.220 153 G C 1.176 176.032 174.900 -0.073 0.000 1.125 153 G CA 0.868 45.901 45.100 -0.113 0.000 0.755 153 G HN 0.513 nan 8.290 nan 0.000 0.565 154 N N -0.595 118.043 118.700 -0.102 0.000 2.401 154 N HA 0.204 4.943 4.740 -0.001 0.000 0.264 154 N C 0.223 175.941 175.510 0.347 0.000 1.238 154 N CA -0.288 52.810 53.050 0.080 0.000 0.889 154 N CB 0.073 38.548 38.487 -0.019 0.000 1.196 154 N HN -0.038 nan 8.380 nan 0.000 0.511 155 M N 0.320 120.048 119.600 0.213 0.000 2.494 155 M HA 0.506 4.986 4.480 -0.001 0.000 0.300 155 M C -1.998 174.355 176.300 0.087 0.000 1.189 155 M CA -2.615 52.771 55.300 0.144 0.000 0.982 155 M CB -0.321 32.269 32.600 -0.017 0.000 1.534 155 M HN -0.131 nan 8.290 nan 0.000 0.488 156 P HA 0.168 nan 4.420 nan 0.000 0.268 156 P C 0.663 177.946 177.300 -0.029 0.000 1.208 156 P CA 0.846 63.891 63.100 -0.093 0.000 0.777 156 P CB 0.297 31.836 31.700 -0.269 0.000 0.875 157 G N 2.354 111.149 108.800 -0.009 0.000 2.148 157 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.254 157 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.254 157 G C 1.074 175.976 174.900 0.003 0.000 0.981 157 G CA 0.533 45.628 45.100 -0.007 0.000 0.670 157 G HN 0.709 nan 8.290 nan 0.000 0.528 158 R N 0.455 120.989 120.500 0.057 0.000 2.237 158 R HA 0.055 4.395 4.340 -0.001 0.000 0.219 158 R C 2.407 178.729 176.300 0.038 0.000 1.080 158 R CA 1.887 58.016 56.100 0.048 0.000 0.995 158 R CB -0.491 29.850 30.300 0.068 0.000 0.875 158 R HN 0.813 nan 8.270 nan 0.000 0.462 159 S N 0.489 116.254 115.700 0.108 0.000 2.527 159 S HA 0.072 4.541 4.470 -0.001 0.000 0.222 159 S C 1.022 175.647 174.600 0.041 0.000 0.985 159 S CA -0.239 58.035 58.200 0.124 0.000 0.921 159 S CB -0.163 63.229 63.200 0.319 0.000 0.772 159 S HN 0.206 nan 8.310 nan 0.000 0.529 160 M N 2.115 121.672 119.600 -0.072 0.000 2.239 160 M HA 0.502 4.981 4.480 -0.001 0.000 0.348 160 M C 0.820 177.093 176.300 -0.044 0.000 1.239 160 M CA 0.687 55.874 55.300 -0.188 0.000 1.114 160 M CB 0.457 32.919 32.600 -0.231 0.000 1.641 160 M HN 0.525 nan 8.290 nan 0.000 0.453 161 G N 1.722 110.527 108.800 0.008 0.000 2.343 161 G HA2 0.117 4.076 3.960 -0.001 0.000 0.289 161 G HA3 0.117 4.076 3.960 -0.001 0.000 0.289 161 G C -1.754 173.314 174.900 0.281 0.000 1.295 161 G CA -0.927 44.278 45.100 0.176 0.000 0.869 161 G HN 0.519 nan 8.290 nan 0.000 0.522 162 E N 0.247 120.614 120.200 0.277 0.000 2.289 162 E HA 0.296 4.645 4.350 -0.001 0.000 0.278 162 E C 1.135 177.871 176.600 0.226 0.000 1.032 162 E CA -0.426 56.108 56.400 0.222 0.000 0.854 162 E CB 1.855 31.677 29.700 0.205 0.000 1.046 162 E HN 0.530 nan 8.360 nan 0.000 0.409 163 R N 1.068 121.660 120.500 0.152 0.000 2.148 163 R HA -0.017 4.322 4.340 -0.001 0.000 0.223 163 R C 0.580 176.955 176.300 0.124 0.000 1.088 163 R CA 0.382 56.547 56.100 0.107 0.000 0.985 163 R CB 0.085 30.407 30.300 0.037 0.000 0.880 163 R HN 0.205 nan 8.270 nan 0.000 0.451 164 L N 0.271 121.582 121.223 0.147 0.000 2.307 164 L HA 0.555 4.894 4.340 -0.001 0.000 0.284 164 L C -1.136 175.884 176.870 0.251 0.000 1.023 164 L CA -0.406 54.547 54.840 0.187 0.000 0.810 164 L CB 1.693 43.837 42.059 0.143 0.000 1.231 164 L HN -0.040 nan 8.230 nan 0.000 0.423 165 A N 5.638 128.655 122.820 0.329 0.000 2.520 165 A HA 0.776 5.096 4.320 -0.001 0.000 0.298 165 A C -1.282 176.600 177.584 0.496 0.000 1.051 165 A CA -0.491 51.799 52.037 0.421 0.000 0.690 165 A CB 1.032 20.302 19.000 0.451 0.000 1.281 165 A HN 0.627 nan 8.150 nan 0.000 0.402 166 I N 1.682 122.481 120.570 0.381 0.000 2.377 166 I HA 0.231 4.400 4.170 -0.001 0.000 0.293 166 I C -0.217 175.807 176.117 -0.155 0.000 0.987 166 I CA -0.613 60.778 61.300 0.152 0.000 1.185 166 I CB 1.650 39.720 38.000 0.115 0.000 1.341 166 I HN 0.654 nan 8.210 nan 0.000 0.455 167 D N 9.117 129.194 120.400 -0.539 0.000 2.412 167 D HA 0.021 4.660 4.640 -0.001 0.000 0.257 167 D C -1.557 174.455 176.300 -0.480 0.000 1.217 167 D CA -1.494 51.839 54.000 -1.112 0.000 0.897 167 D CB 1.323 41.731 40.800 -0.654 0.000 1.132 167 D HN 0.273 nan 8.370 nan 0.000 0.493 168 P HA -0.006 nan 4.420 nan 0.000 0.241 168 P C 0.241 177.501 177.300 -0.067 0.000 1.191 168 P CA 0.679 63.712 63.100 -0.112 0.000 0.771 168 P CB 0.480 32.169 31.700 -0.019 0.000 0.929 169 N N -0.695 117.941 118.700 -0.107 0.000 2.499 169 N HA -0.006 4.734 4.740 -0.001 0.000 0.182 169 N C 0.197 175.675 175.510 -0.053 0.000 1.034 169 N CA 0.251 53.270 53.050 -0.051 0.000 0.882 169 N CB 0.155 38.621 38.487 -0.035 0.000 1.125 169 N HN -0.074 nan 8.380 nan 0.000 0.436 170 D N 0.396 120.739 120.400 -0.095 0.000 2.438 170 D HA 0.080 4.720 4.640 -0.001 0.000 0.257 170 D C -0.292 175.928 176.300 -0.134 0.000 1.148 170 D CA -0.482 53.461 54.000 -0.094 0.000 0.902 170 D CB -0.010 40.734 40.800 -0.093 0.000 1.062 170 D HN 0.152 nan 8.370 nan 0.000 0.518 171 N N 2.919 121.573 118.700 -0.076 0.000 2.575 171 N HA -0.089 4.651 4.740 -0.001 0.000 0.192 171 N C 0.966 176.378 175.510 -0.164 0.000 1.200 171 N CA 0.080 53.106 53.050 -0.041 0.000 0.897 171 N CB -0.090 38.464 38.487 0.112 0.000 0.990 171 N HN 0.355 nan 8.380 nan 0.000 0.449 172 R N -0.083 120.159 120.500 -0.430 0.000 2.189 172 R HA 0.204 4.543 4.340 -0.001 0.000 0.218 172 R C 0.331 176.338 176.300 -0.488 0.000 1.074 172 R CA 0.509 56.103 56.100 -0.843 0.000 0.991 172 R CB 0.067 29.926 30.300 -0.734 0.000 0.883 172 R HN 0.280 nan 8.270 nan 0.000 0.457 173 I N 1.774 122.159 120.570 -0.308 0.000 2.331 173 I HA 0.194 4.363 4.170 -0.001 0.000 0.292 173 I C -0.732 175.293 176.117 -0.153 0.000 0.998 173 I CA -0.559 60.602 61.300 -0.232 0.000 1.267 173 I CB 1.201 39.139 38.000 -0.104 0.000 1.386 173 I HN -0.131 nan 8.210 nan 0.000 0.476 174 L N 7.015 128.111 121.223 -0.211 0.000 2.401 174 L HA 0.511 4.851 4.340 -0.001 0.000 0.266 174 L C -1.019 175.881 176.870 0.049 0.000 0.991 174 L CA -0.351 54.484 54.840 -0.008 0.000 0.818 174 L CB 1.707 43.698 42.059 -0.114 0.000 1.321 174 L HN 0.320 nan 8.230 nan 0.000 0.413 175 Y N 2.339 122.844 120.300 0.343 0.000 2.509 175 Y HA 0.763 5.312 4.550 -0.001 0.000 0.341 175 Y C -0.681 175.421 175.900 0.336 0.000 1.038 175 Y CA -0.757 57.542 58.100 0.332 0.000 1.089 175 Y CB 2.246 40.820 38.460 0.190 0.000 1.241 175 Y HN 0.398 nan 8.280 nan 0.000 0.468 176 L N 2.012 123.504 121.223 0.448 0.000 2.441 176 L HA 0.748 5.087 4.340 -0.001 0.000 0.270 176 L C -0.393 176.531 176.870 0.090 0.000 0.973 176 L CA -0.215 54.754 54.840 0.214 0.000 0.842 176 L CB 1.491 43.576 42.059 0.044 0.000 1.239 176 L HN 0.672 nan 8.230 nan 0.000 0.406 177 G N 2.467 111.264 108.800 -0.005 0.000 2.403 177 G HA2 0.507 4.466 3.960 -0.001 0.000 0.259 177 G HA3 0.507 4.466 3.960 -0.001 0.000 0.259 177 G C -0.216 174.617 174.900 -0.112 0.000 1.244 177 G CA 0.358 45.392 45.100 -0.110 0.000 0.849 177 G HN 0.792 nan 8.290 nan 0.000 0.532 178 T N -0.186 114.265 114.554 -0.171 0.000 2.930 178 T HA 0.679 5.029 4.350 -0.001 0.000 0.290 178 T C 0.235 174.818 174.700 -0.195 0.000 1.052 178 T CA -0.986 60.973 62.100 -0.235 0.000 1.017 178 T CB 2.047 70.583 68.868 -0.553 0.000 1.137 178 T HN 0.549 nan 8.240 nan 0.000 0.511 179 R N -0.610 119.787 120.500 -0.173 0.000 2.549 179 R HA 0.569 4.909 4.340 -0.001 0.000 0.259 179 R C 0.225 176.437 176.300 -0.146 0.000 1.095 179 R CA -0.441 55.586 56.100 -0.122 0.000 1.148 179 R CB 0.314 30.568 30.300 -0.077 0.000 1.181 179 R HN 0.939 nan 8.270 nan 0.000 0.571 180 C N -0.331 118.911 119.300 -0.097 0.000 4.465 180 C HA -0.125 4.334 4.460 -0.001 0.000 0.274 180 C C 1.189 176.128 174.990 -0.085 0.000 1.337 180 C CA 0.604 59.571 59.018 -0.084 0.000 1.822 180 C CB -2.373 25.322 27.740 -0.075 0.000 1.357 180 C HN 1.280 nan 8.230 nan 0.000 0.753 181 G N 0.011 108.757 108.800 -0.090 0.000 2.136 181 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.242 181 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.242 181 G C 0.218 175.070 174.900 -0.079 0.000 0.989 181 G CA 0.721 45.780 45.100 -0.069 0.000 0.682 181 G HN 0.738 nan 8.290 nan 0.000 0.522 182 N N 0.412 119.015 118.700 -0.160 0.000 2.467 182 N HA 0.397 5.136 4.740 -0.001 0.000 0.184 182 N C 1.824 177.337 175.510 0.006 0.000 1.106 182 N CA 1.344 54.298 53.050 -0.160 0.000 0.892 182 N CB 0.128 38.224 38.487 -0.650 0.000 0.969 182 N HN 1.401 nan 8.380 nan 0.000 0.454 183 G N 0.886 109.647 108.800 -0.064 0.000 2.527 183 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.268 183 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.268 183 G C -0.714 174.140 174.900 -0.078 0.000 1.175 183 G CA -0.164 44.908 45.100 -0.047 0.000 0.962 183 G HN 0.231 nan 8.290 nan 0.000 0.560 184 L N -0.166 120.968 121.223 -0.148 0.000 2.322 184 L HA 0.856 5.195 4.340 -0.001 0.000 0.281 184 L C -0.869 176.058 176.870 0.095 0.000 1.014 184 L CA -0.741 53.977 54.840 -0.203 0.000 0.815 184 L CB 1.253 42.818 42.059 -0.825 0.000 1.247 184 L HN 0.632 nan 8.230 nan 0.000 0.421 185 W N 4.710 126.001 121.300 -0.014 0.000 2.736 185 W HA 0.762 5.421 4.660 -0.001 0.000 0.355 185 W C -0.407 176.256 176.519 0.239 0.000 1.102 185 W CA -0.613 56.823 57.345 0.152 0.000 1.164 185 W CB 1.441 31.049 29.460 0.247 0.000 1.422 185 W HN 0.420 nan 8.180 nan 0.000 0.572 186 R N 1.241 121.966 120.500 0.375 0.000 2.668 186 R HA 0.623 4.962 4.340 -0.001 0.000 0.272 186 R C -1.326 174.739 176.300 -0.391 0.000 1.019 186 R CA -0.477 55.543 56.100 -0.133 0.000 0.894 186 R CB 2.144 32.168 30.300 -0.460 0.000 1.228 186 R HN 0.422 nan 8.270 nan 0.000 0.460 187 S N 0.386 115.543 115.700 -0.906 0.000 2.526 187 S HA 0.382 4.851 4.470 -0.001 0.000 0.293 187 S C 0.011 174.241 174.600 -0.618 0.000 1.092 187 S CA -0.322 57.261 58.200 -1.028 0.000 0.980 187 S CB 1.633 63.734 63.200 -1.830 0.000 1.048 187 S HN 0.698 nan 8.310 nan 0.000 0.483 188 T N -0.233 114.053 114.554 -0.447 0.000 3.145 188 T HA 0.278 4.627 4.350 -0.001 0.000 0.281 188 T C -0.410 174.096 174.700 -0.322 0.000 1.003 188 T CA -0.235 61.661 62.100 -0.340 0.000 0.901 188 T CB -0.297 68.428 68.868 -0.238 0.000 1.112 188 T HN 0.596 nan 8.240 nan 0.000 0.535 189 D N 0.179 120.394 120.400 -0.309 0.000 2.957 189 D HA 0.152 4.791 4.640 -0.001 0.000 0.352 189 D C -0.460 175.833 176.300 -0.011 0.000 1.352 189 D CA -1.122 52.775 54.000 -0.171 0.000 0.831 189 D CB -1.083 39.674 40.800 -0.071 0.000 1.147 189 D HN 0.260 nan 8.370 nan 0.000 0.467 190 Y N 0.630 120.875 120.300 -0.091 0.000 3.389 190 Y HA -0.097 4.452 4.550 -0.001 0.000 0.213 190 Y C 1.751 177.712 175.900 0.100 0.000 1.272 190 Y CA 0.812 58.928 58.100 0.027 0.000 1.444 190 Y CB -1.855 36.683 38.460 0.131 0.000 1.445 190 Y HN 0.583 nan 8.280 nan 0.000 0.583 191 G N -2.277 106.491 108.800 -0.052 0.000 2.162 191 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.260 191 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.260 191 G C 0.864 175.927 174.900 0.272 0.000 0.976 191 G CA 0.340 45.492 45.100 0.087 0.000 0.655 191 G HN 0.599 nan 8.290 nan 0.000 0.533 192 V N 0.136 120.117 119.914 0.111 0.000 2.323 192 V HA 0.391 4.510 4.120 -0.001 0.000 0.244 192 V C 1.946 178.123 176.094 0.137 0.000 1.041 192 V CA 3.016 65.407 62.300 0.152 0.000 1.025 192 V CB -0.663 31.228 31.823 0.112 0.000 0.656 192 V HN 1.135 nan 8.190 nan 0.000 0.451 193 T N -2.237 112.294 114.554 -0.037 0.000 2.912 193 T HA 0.583 4.933 4.350 -0.001 0.000 0.288 193 T C -1.347 173.232 174.700 -0.202 0.000 1.030 193 T CA -0.547 61.563 62.100 0.017 0.000 1.020 193 T CB 1.075 nan 68.868 nan 0.000 1.056 193 T HN 0.195 nan 8.240 nan 0.000 0.480 194 W N 1.584 122.960 121.300 0.127 0.000 2.998 194 W HA 0.580 5.239 4.660 -0.001 0.000 0.335 194 W C -0.041 176.645 176.519 0.279 0.000 1.110 194 W CA -0.323 57.155 57.345 0.222 0.000 1.230 194 W CB 2.289 31.929 29.460 0.301 0.000 1.405 194 W HN 0.881 nan 8.180 nan 0.000 0.493 195 S N 1.289 117.201 115.700 0.353 0.000 2.564 195 S HA 0.567 5.036 4.470 -0.001 0.000 0.274 195 S C -1.009 173.241 174.600 -0.583 0.000 1.124 195 S CA -1.272 56.870 58.200 -0.096 0.000 0.869 195 S CB 2.022 65.153 63.200 -0.116 0.000 1.105 195 S HN 0.436 nan 8.310 nan 0.000 0.472 196 K N 1.152 120.710 120.400 -1.404 0.000 2.401 196 K HA 0.314 4.634 4.320 -0.001 0.000 0.278 196 K C -0.795 175.467 176.600 -0.563 0.000 1.018 196 K CA -0.462 54.936 56.287 -1.481 0.000 0.981 196 K CB 0.389 32.123 32.500 -1.275 0.000 0.933 196 K HN 0.548 nan 8.250 nan 0.000 0.477 197 V N 5.994 125.701 119.914 -0.345 0.000 2.352 197 V HA 0.007 4.126 4.120 -0.001 0.000 0.253 197 V C 0.989 177.049 176.094 -0.057 0.000 1.083 197 V CA -0.057 62.197 62.300 -0.077 0.000 0.993 197 V CB 0.612 32.493 31.823 0.096 0.000 1.111 197 V HN 0.860 nan 8.190 nan 0.000 0.490 198 E N 2.544 122.708 120.200 -0.059 0.000 2.268 198 E HA -0.132 4.217 4.350 -0.001 0.000 0.195 198 E C 2.210 178.823 176.600 0.023 0.000 0.995 198 E CA 1.376 57.749 56.400 -0.044 0.000 0.836 198 E CB 0.068 29.737 29.700 -0.052 0.000 0.763 198 E HN 0.846 nan 8.360 nan 0.000 0.491 199 S N 0.042 115.807 115.700 0.107 0.000 2.522 199 S HA -0.047 4.423 4.470 -0.001 0.000 0.227 199 S C 0.677 175.387 174.600 0.184 0.000 0.986 199 S CA -0.372 57.932 58.200 0.174 0.000 0.929 199 S CB -0.453 62.907 63.200 0.266 0.000 0.769 199 S HN 0.081 nan 8.310 nan 0.000 0.529 200 F N 4.118 123.992 119.950 -0.128 0.000 2.541 200 F HA 0.349 4.875 4.527 -0.001 0.000 0.378 200 F C -1.615 173.983 175.800 -0.337 0.000 1.068 200 F CA -2.194 55.522 58.000 -0.473 0.000 1.199 200 F CB 0.972 39.544 39.000 -0.713 0.000 1.091 200 F HN 0.017 nan 8.300 nan 0.000 0.555 201 P HA -0.063 nan 4.420 nan 0.000 0.222 201 P C -0.602 176.407 177.300 -0.486 0.000 1.153 201 P CA 0.963 63.724 63.100 -0.565 0.000 0.798 201 P CB 0.242 31.610 31.700 -0.554 0.000 0.796 202 N N -0.754 117.533 118.700 -0.688 0.000 2.581 202 N HA 0.162 4.901 4.740 -0.001 0.000 0.279 202 N C -2.428 173.034 175.510 -0.081 0.000 1.124 202 N CA -2.047 50.793 53.050 -0.350 0.000 0.833 202 N CB 1.224 39.476 38.487 -0.393 0.000 1.338 202 N HN -0.172 nan 8.380 nan 0.000 0.533 203 P HA 0.219 nan 4.420 nan 0.000 0.245 203 P C 0.124 177.415 177.300 -0.015 0.000 1.212 203 P CA 0.497 63.594 63.100 -0.004 0.000 0.774 203 P CB 0.037 31.722 31.700 -0.024 0.000 0.999 204 G N -0.384 108.416 108.800 0.000 0.000 2.674 204 G HA2 -0.014 3.946 3.960 -0.001 0.000 0.686 204 G HA3 -0.014 3.946 3.960 -0.001 0.000 0.686 204 G C 0.317 175.236 174.900 0.030 0.000 1.195 204 G CA -0.048 45.067 45.100 0.026 0.000 0.776 204 G HN 0.179 nan 8.290 nan 0.000 0.654 205 T N -1.715 112.877 114.554 0.064 0.000 2.964 205 T HA 0.296 4.646 4.350 -0.001 0.000 0.249 205 T C 0.954 175.700 174.700 0.077 0.000 1.000 205 T CA 0.783 62.914 62.100 0.052 0.000 0.992 205 T CB 0.189 69.085 68.868 0.046 0.000 1.087 205 T HN 1.461 nan 8.240 nan 0.000 0.489 206 Y N 2.379 122.685 120.300 0.010 0.000 2.620 206 Y HA 0.514 5.063 4.550 -0.001 0.000 0.330 206 Y C -0.499 175.418 175.900 0.027 0.000 1.186 206 Y CA -1.041 57.074 58.100 0.025 0.000 1.467 206 Y CB 0.102 38.588 38.460 0.045 0.000 1.262 206 Y HN 0.204 nan 8.280 nan 0.000 0.550 207 I N 7.864 128.037 120.570 -0.662 0.000 2.498 207 I HA 0.075 4.245 4.170 -0.001 0.000 0.290 207 I C -0.095 175.581 176.117 -0.736 0.000 1.032 207 I CA -0.822 60.184 61.300 -0.491 0.000 1.073 207 I CB 1.491 39.343 38.000 -0.246 0.000 1.251 207 I HN 0.734 nan 8.210 nan 0.000 0.426 208 Y N 4.080 124.084 120.300 -0.493 0.000 2.097 208 Y HA -0.168 4.381 4.550 -0.001 0.000 0.282 208 Y C 0.698 176.521 175.900 -0.128 0.000 1.152 208 Y CA 1.757 59.707 58.100 -0.250 0.000 1.136 208 Y CB 0.296 38.754 38.460 -0.004 0.000 0.975 208 Y HN 0.552 nan 8.280 nan 0.000 0.498 209 D N -2.231 118.126 120.400 -0.072 0.000 2.333 209 D HA 0.192 4.831 4.640 -0.001 0.000 0.225 209 D C -2.531 173.768 176.300 -0.002 0.000 1.345 209 D CA -1.672 52.295 54.000 -0.055 0.000 0.971 209 D CB 1.437 42.288 40.800 0.084 0.000 1.451 209 D HN -0.115 nan 8.370 nan 0.000 0.561 210 P HA -0.020 nan 4.420 nan 0.000 0.228 210 P C 0.839 178.069 177.300 -0.117 0.000 1.151 210 P CA 0.570 63.619 63.100 -0.085 0.000 0.770 210 P CB 0.333 31.973 31.700 -0.101 0.000 0.786 211 N N -1.296 117.289 118.700 -0.191 0.000 2.515 211 N HA 0.029 4.768 4.740 -0.001 0.000 0.185 211 N C 0.015 175.115 175.510 -0.683 0.000 1.109 211 N CA 0.665 53.443 53.050 -0.454 0.000 0.903 211 N CB -0.049 38.068 38.487 -0.616 0.000 0.969 211 N HN 0.235 nan 8.380 nan 0.000 0.450 212 F N -0.869 119.093 119.950 0.020 0.000 2.576 212 F HA 0.184 4.711 4.527 -0.001 0.000 0.313 212 F C 1.361 177.176 175.800 0.026 0.000 1.078 212 F CA -1.242 56.788 58.000 0.050 0.000 0.921 212 F CB 1.642 40.707 39.000 0.108 0.000 1.232 212 F HN -0.268 nan 8.300 nan 0.000 0.459 213 D N 0.996 121.526 120.400 0.216 0.000 2.116 213 D HA -0.301 4.338 4.640 -0.001 0.000 0.193 213 D C 1.965 178.257 176.300 -0.014 0.000 0.998 213 D CA 1.956 55.997 54.000 0.069 0.000 0.836 213 D CB -0.209 40.629 40.800 0.063 0.000 0.951 213 D HN 0.571 nan 8.370 nan 0.000 0.449 214 Y N 0.350 120.590 120.300 -0.099 0.000 2.274 214 Y HA -0.113 4.437 4.550 -0.001 0.000 0.290 214 Y C 1.986 177.844 175.900 -0.071 0.000 1.145 214 Y CA 2.127 60.072 58.100 -0.258 0.000 1.203 214 Y CB -0.447 37.912 38.460 -0.169 0.000 0.984 214 Y HN 0.134 nan 8.280 nan 0.000 0.533 215 T N -2.890 111.617 114.554 -0.078 0.000 3.054 215 T HA 0.095 4.444 4.350 -0.001 0.000 0.255 215 T C 1.253 175.945 174.700 -0.014 0.000 1.035 215 T CA 0.122 62.185 62.100 -0.062 0.000 0.941 215 T CB -0.219 68.816 68.868 0.277 0.000 1.026 215 T HN 0.497 nan 8.240 nan 0.000 0.533 216 K N 0.850 121.224 120.400 -0.043 0.000 2.459 216 K HA 0.126 4.446 4.320 -0.001 0.000 0.193 216 K C -0.260 176.294 176.600 -0.076 0.000 1.030 216 K CA -0.051 56.206 56.287 -0.049 0.000 1.026 216 K CB 0.096 32.571 32.500 -0.042 0.000 0.809 216 K HN 0.213 nan 8.250 nan 0.000 0.504 217 D N 1.754 122.098 120.400 -0.094 0.000 2.304 217 D HA 0.154 4.793 4.640 -0.001 0.000 0.247 217 D C 0.162 176.421 176.300 -0.069 0.000 1.089 217 D CA -0.422 53.528 54.000 -0.083 0.000 0.910 217 D CB 1.258 42.003 40.800 -0.093 0.000 1.199 217 D HN 0.071 nan 8.370 nan 0.000 0.426 218 I N 2.782 123.318 120.570 -0.056 0.000 2.741 218 I HA -0.179 3.990 4.170 -0.001 0.000 0.288 218 I C 1.847 177.957 176.117 -0.012 0.000 1.192 218 I CA -0.286 60.995 61.300 -0.032 0.000 1.426 218 I CB 0.588 38.568 38.000 -0.033 0.000 1.367 218 I HN 0.277 nan 8.210 nan 0.000 0.563 219 I N 4.951 125.551 120.570 0.051 0.000 2.226 219 I HA -0.089 4.080 4.170 -0.001 0.000 0.245 219 I C 1.525 177.646 176.117 0.007 0.000 1.100 219 I CA 1.673 63.012 61.300 0.066 0.000 1.374 219 I CB -1.739 36.380 38.000 0.199 0.000 1.057 219 I HN 0.961 nan 8.210 nan 0.000 0.413 220 G N 0.323 109.128 108.800 0.007 0.000 2.466 220 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.218 220 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.218 220 G C -0.423 174.433 174.900 -0.073 0.000 1.237 220 G CA -0.266 44.807 45.100 -0.044 0.000 0.954 220 G HN 0.069 nan 8.290 nan 0.000 0.580 221 V N 1.699 121.538 119.914 -0.125 0.000 2.406 221 V HA 0.431 4.551 4.120 -0.001 0.000 0.272 221 V C 1.655 177.642 176.094 -0.179 0.000 1.043 221 V CA 0.418 62.602 62.300 -0.193 0.000 0.915 221 V CB 0.923 32.566 31.823 -0.300 0.000 0.988 221 V HN 1.602 nan 8.190 nan 0.000 0.466 222 V N 1.827 121.607 119.914 -0.224 0.000 3.379 222 V HA 0.399 4.518 4.120 -0.001 0.000 0.249 222 V C 0.311 176.432 176.094 0.044 0.000 1.184 222 V CA 0.169 62.402 62.300 -0.112 0.000 1.106 222 V CB 0.116 31.884 31.823 -0.091 0.000 0.826 222 V HN 0.833 nan 8.190 nan 0.000 0.465 223 W N -1.607 119.676 121.300 -0.030 0.000 3.146 223 W HA 0.792 5.451 4.660 -0.001 0.000 0.319 223 W C -2.145 174.364 176.519 -0.017 0.000 1.258 223 W CA -1.111 56.235 57.345 0.002 0.000 1.189 223 W CB 1.210 30.695 29.460 0.043 0.000 1.412 223 W HN -0.219 nan 8.180 nan 0.000 0.567 224 V N 2.174 122.309 119.914 0.369 0.000 2.577 224 V HA 0.526 4.646 4.120 -0.001 0.000 0.303 224 V C -0.663 175.555 176.094 0.207 0.000 1.042 224 V CA -0.844 61.549 62.300 0.155 0.000 0.872 224 V CB 1.596 33.374 31.823 -0.075 0.000 0.998 224 V HN 0.405 nan 8.190 nan 0.000 0.423 225 V N 5.150 125.194 119.914 0.216 0.000 2.483 225 V HA 0.527 4.646 4.120 -0.001 0.000 0.297 225 V C -0.740 175.426 176.094 0.121 0.000 1.027 225 V CA -0.499 61.934 62.300 0.222 0.000 0.855 225 V CB 1.670 33.678 31.823 0.307 0.000 0.995 225 V HN 0.669 nan 8.190 nan 0.000 0.424 226 F N 2.423 122.520 119.950 0.244 0.000 2.385 226 F HA 0.391 4.917 4.527 -0.001 0.000 0.336 226 F C 0.685 176.609 175.800 0.207 0.000 1.100 226 F CA -0.419 57.698 58.000 0.195 0.000 1.116 226 F CB 0.967 40.056 39.000 0.149 0.000 1.166 226 F HN 0.409 nan 8.300 nan 0.000 0.511 227 D N 3.390 124.020 120.400 0.384 0.000 2.456 227 D HA 0.064 4.703 4.640 -0.001 0.000 0.219 227 D C 1.042 177.469 176.300 0.212 0.000 1.126 227 D CA -0.013 54.159 54.000 0.286 0.000 0.890 227 D CB 0.695 41.667 40.800 0.286 0.000 1.025 227 D HN 0.549 nan 8.370 nan 0.000 0.511 228 K N 1.550 122.058 120.400 0.180 0.000 2.113 228 K HA -0.176 4.143 4.320 -0.001 0.000 0.208 228 K C 1.615 178.265 176.600 0.083 0.000 1.047 228 K CA 1.449 57.806 56.287 0.117 0.000 0.928 228 K CB 0.134 32.692 32.500 0.096 0.000 0.716 228 K HN 0.392 nan 8.250 nan 0.000 0.446 229 S N -0.058 115.690 115.700 0.080 0.000 2.507 229 S HA -0.085 4.385 4.470 -0.001 0.000 0.235 229 S C 1.719 176.350 174.600 0.051 0.000 0.988 229 S CA 1.178 59.412 58.200 0.056 0.000 0.944 229 S CB -0.186 63.042 63.200 0.046 0.000 0.762 229 S HN 0.381 nan 8.310 nan 0.000 0.526 230 S N -0.128 115.612 115.700 0.066 0.000 2.561 230 S HA 0.286 4.755 4.470 -0.001 0.000 0.225 230 S C 0.590 175.211 174.600 0.036 0.000 0.977 230 S CA -0.135 58.095 58.200 0.051 0.000 0.926 230 S CB -0.235 63.001 63.200 0.059 0.000 0.769 230 S HN 0.392 nan 8.310 nan 0.000 0.533 231 S N 0.349 116.072 115.700 0.037 0.000 2.671 231 S HA 0.657 5.126 4.470 -0.001 0.000 0.277 231 S C -0.614 173.998 174.600 0.020 0.000 1.165 231 S CA -0.614 57.600 58.200 0.024 0.000 0.822 231 S CB 1.894 65.107 63.200 0.022 0.000 1.150 231 S HN 0.582 nan 8.310 nan 0.000 0.479 232 T N -0.070 114.492 114.554 0.013 0.000 2.925 232 T HA 0.676 5.025 4.350 -0.001 0.000 0.285 232 T C -3.103 171.602 174.700 0.008 0.000 1.021 232 T CA -2.523 59.584 62.100 0.012 0.000 1.042 232 T CB 0.786 69.660 68.868 0.009 0.000 1.037 232 T HN 0.180 nan 8.240 nan 0.000 0.481 233 P HA 0.240 nan 4.420 nan 0.000 0.263 233 P C 1.186 178.489 177.300 0.005 0.000 1.175 233 P CA 1.415 64.520 63.100 0.009 0.000 0.761 233 P CB 0.097 31.807 31.700 0.017 0.000 0.794 234 G N 1.989 110.789 108.800 -0.000 0.000 2.258 234 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.233 234 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.233 234 G C 0.183 175.075 174.900 -0.014 0.000 1.006 234 G CA -0.426 44.672 45.100 -0.003 0.000 0.620 234 G HN 0.572 nan 8.290 nan 0.000 0.511 235 N N 1.888 120.580 118.700 -0.013 0.000 2.405 235 N HA 0.501 5.240 4.740 -0.001 0.000 0.299 235 N C -2.992 172.507 175.510 -0.018 0.000 1.075 235 N CA -1.364 51.678 53.050 -0.014 0.000 0.884 235 N CB 1.764 40.247 38.487 -0.006 0.000 1.194 235 N HN 0.006 nan 8.380 nan 0.000 0.491 236 P HA -0.020 nan 4.420 nan 0.000 0.262 236 P C -0.280 177.035 177.300 0.026 0.000 1.182 236 P CA 0.449 63.550 63.100 0.000 0.000 0.761 236 P CB 0.168 31.878 31.700 0.017 0.000 0.795 237 T N 4.144 118.722 114.554 0.041 0.000 2.867 237 T HA 0.009 4.358 4.350 -0.001 0.000 0.297 237 T C 1.450 176.221 174.700 0.119 0.000 0.989 237 T CA 0.220 62.376 62.100 0.092 0.000 1.159 237 T CB 0.376 69.328 68.868 0.141 0.000 0.928 237 T HN 0.349 nan 8.240 nan 0.000 0.538 238 K N 1.718 122.154 120.400 0.060 0.000 2.098 238 K HA 0.020 4.339 4.320 -0.001 0.000 0.203 238 K C 0.764 177.335 176.600 -0.048 0.000 1.051 238 K CA 0.738 57.026 56.287 0.002 0.000 0.957 238 K CB 0.305 32.797 32.500 -0.014 0.000 0.738 238 K HN 0.449 nan 8.250 nan 0.000 0.447 239 T N 1.695 116.237 114.554 -0.019 0.000 2.744 239 T HA 0.467 4.817 4.350 -0.001 0.000 0.291 239 T C -0.278 174.364 174.700 -0.096 0.000 0.957 239 T CA -0.317 61.717 62.100 -0.110 0.000 1.002 239 T CB 0.869 69.697 68.868 -0.067 0.000 0.919 239 T HN -0.014 nan 8.240 nan 0.000 0.468 240 I N 3.136 123.543 120.570 -0.271 0.000 2.533 240 I HA 0.412 4.581 4.170 -0.001 0.000 0.290 240 I C -1.190 174.799 176.117 -0.213 0.000 1.056 240 I CA -1.087 60.087 61.300 -0.211 0.000 1.057 240 I CB 1.875 39.730 38.000 -0.240 0.000 1.240 240 I HN 0.543 nan 8.210 nan 0.000 0.423 241 Y N 4.709 125.091 120.300 0.137 0.000 2.360 241 Y HA 0.685 5.235 4.550 -0.001 0.000 0.337 241 Y C -0.156 175.862 175.900 0.197 0.000 1.039 241 Y CA -0.925 57.327 58.100 0.254 0.000 1.109 241 Y CB 1.958 40.619 38.460 0.334 0.000 1.201 241 Y HN 0.142 nan 8.280 nan 0.000 0.458 242 V N 2.286 122.346 119.914 0.244 0.000 2.577 242 V HA 0.646 4.766 4.120 -0.001 0.000 0.303 242 V C 0.095 175.897 176.094 -0.486 0.000 1.042 242 V CA -0.983 61.236 62.300 -0.135 0.000 0.872 242 V CB 1.800 33.513 31.823 -0.185 0.000 0.998 242 V HN 0.950 nan 8.190 nan 0.000 0.423 243 G N 3.053 110.991 108.800 -1.438 0.000 2.348 243 G HA2 0.620 4.579 3.960 -0.001 0.000 0.312 243 G HA3 0.620 4.579 3.960 -0.001 0.000 0.312 243 G C -0.998 173.470 174.900 -0.719 0.000 1.126 243 G CA -0.381 43.794 45.100 -1.542 0.000 0.865 243 G HN 0.576 nan 8.290 nan 0.000 0.474 244 V N 1.224 120.957 119.914 -0.301 0.000 2.709 244 V HA 0.611 4.730 4.120 -0.001 0.000 0.308 244 V C 0.442 176.502 176.094 -0.056 0.000 1.062 244 V CA -0.983 61.256 62.300 -0.102 0.000 0.901 244 V CB 1.899 33.788 31.823 0.110 0.000 1.003 244 V HN 1.063 nan 8.190 nan 0.000 0.425 245 A N 3.000 125.797 122.820 -0.039 0.000 2.797 245 A HA 0.503 4.823 4.320 -0.001 0.000 0.296 245 A C -0.069 177.561 177.584 0.076 0.000 1.580 245 A CA 0.354 52.391 52.037 -0.001 0.000 1.277 245 A CB -0.542 18.477 19.000 0.032 0.000 1.101 245 A HN 0.770 nan 8.150 nan 0.000 0.562 246 D N 1.938 122.374 120.400 0.060 0.000 2.613 246 D HA 0.156 4.795 4.640 -0.001 0.000 0.230 246 D C 0.529 176.860 176.300 0.051 0.000 1.365 246 D CA -0.428 53.623 54.000 0.084 0.000 0.976 246 D CB 0.948 41.798 40.800 0.084 0.000 1.415 246 D HN 0.320 nan 8.370 nan 0.000 0.589 247 K N 1.953 122.390 120.400 0.062 0.000 2.283 247 K HA -0.121 4.198 4.320 -0.001 0.000 0.202 247 K C 1.395 177.983 176.600 -0.020 0.000 1.048 247 K CA 0.865 57.168 56.287 0.026 0.000 0.948 247 K CB 0.216 32.751 32.500 0.058 0.000 0.742 247 K HN 0.256 nan 8.250 nan 0.000 0.458 248 N N 0.876 119.568 118.700 -0.013 0.000 2.290 248 N HA -0.105 4.634 4.740 -0.001 0.000 0.179 248 N C -0.429 175.028 175.510 -0.088 0.000 1.016 248 N CA 0.788 53.809 53.050 -0.047 0.000 0.871 248 N CB 0.551 39.023 38.487 -0.024 0.000 0.987 248 N HN 0.061 nan 8.380 nan 0.000 0.431 249 E N -1.159 119.002 120.200 -0.064 0.000 2.454 249 E HA 0.152 4.501 4.350 -0.001 0.000 0.315 249 E C -0.905 175.652 176.600 -0.072 0.000 0.907 249 E CA -0.147 56.180 56.400 -0.123 0.000 0.797 249 E CB 0.566 30.212 29.700 -0.089 0.000 1.396 249 E HN 0.269 nan 8.360 nan 0.000 0.389 250 S N 3.978 119.590 115.700 -0.146 0.000 2.593 250 S HA 0.316 4.786 4.470 -0.001 0.000 0.235 250 S C 0.478 175.017 174.600 -0.101 0.000 1.059 250 S CA -0.274 57.905 58.200 -0.035 0.000 0.953 250 S CB 0.549 63.769 63.200 0.033 0.000 0.897 250 S HN 0.376 nan 8.310 nan 0.000 0.507 251 I N 2.619 123.015 120.570 -0.289 0.000 2.389 251 I HA 0.524 4.694 4.170 -0.001 0.000 0.288 251 I C -1.278 174.603 176.117 -0.392 0.000 0.999 251 I CA -1.056 60.146 61.300 -0.165 0.000 1.129 251 I CB 0.585 38.637 38.000 0.087 0.000 1.288 251 I HN 0.176 nan 8.210 nan 0.000 0.444 252 Y N 4.908 125.261 120.300 0.087 0.000 2.524 252 Y HA 0.678 5.228 4.550 -0.001 0.000 0.344 252 Y C 0.338 176.403 175.900 0.275 0.000 1.012 252 Y CA -0.848 57.340 58.100 0.145 0.000 1.068 252 Y CB 2.223 40.730 38.460 0.078 0.000 1.249 252 Y HN 0.449 nan 8.280 nan 0.000 0.468 253 R N 1.114 121.851 120.500 0.395 0.000 2.564 253 R HA 0.609 4.948 4.340 -0.001 0.000 0.284 253 R C -1.566 174.736 176.300 0.004 0.000 1.031 253 R CA -0.469 55.695 56.100 0.106 0.000 0.904 253 R CB 1.945 32.195 30.300 -0.083 0.000 1.199 253 R HN 0.715 nan 8.270 nan 0.000 0.443 254 S N 0.766 116.243 115.700 -0.371 0.000 2.501 254 S HA 0.334 4.803 4.470 -0.001 0.000 0.301 254 S C 0.527 174.862 174.600 -0.441 0.000 1.096 254 S CA -0.388 57.380 58.200 -0.719 0.000 1.063 254 S CB 1.469 63.724 63.200 -1.574 0.000 1.042 254 S HN 0.697 nan 8.310 nan 0.000 0.494 255 T N -0.363 113.999 114.554 -0.320 0.000 3.040 255 T HA 0.212 4.561 4.350 -0.001 0.000 0.266 255 T C -0.077 174.524 174.700 -0.165 0.000 1.005 255 T CA -0.125 61.855 62.100 -0.198 0.000 0.906 255 T CB -0.194 68.601 68.868 -0.122 0.000 1.082 255 T HN 0.613 nan 8.240 nan 0.000 0.531 256 D N 0.926 121.196 120.400 -0.216 0.000 2.892 256 D HA 0.368 5.007 4.640 -0.001 0.000 0.291 256 D C 1.255 177.469 176.300 -0.144 0.000 1.341 256 D CA -0.562 53.347 54.000 -0.152 0.000 0.844 256 D CB -0.315 40.404 40.800 -0.135 0.000 1.093 256 D HN 0.336 nan 8.370 nan 0.000 0.480 257 G N -0.078 108.642 108.800 -0.134 0.000 2.249 257 G HA2 -0.029 3.930 3.960 -0.001 0.000 0.273 257 G HA3 -0.029 3.930 3.960 -0.001 0.000 0.273 257 G C 1.142 176.030 174.900 -0.020 0.000 1.036 257 G CA 0.357 45.433 45.100 -0.040 0.000 0.824 257 G HN 1.500 nan 8.290 nan 0.000 0.504 258 G N -3.284 105.361 108.800 -0.259 0.000 2.157 258 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.239 258 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.239 258 G C 1.213 176.071 174.900 -0.070 0.000 0.982 258 G CA 0.902 45.882 45.100 -0.200 0.000 0.650 258 G HN 1.421 nan 8.290 nan 0.000 0.527 259 V N 0.742 120.557 119.914 -0.165 0.000 2.323 259 V HA 0.166 4.286 4.120 -0.001 0.000 0.244 259 V C 1.800 177.834 176.094 -0.099 0.000 1.041 259 V CA 2.531 64.791 62.300 -0.066 0.000 1.025 259 V CB -0.333 31.452 31.823 -0.064 0.000 0.656 259 V HN 1.113 nan 8.190 nan 0.000 0.451 260 T N -3.180 111.197 114.554 -0.294 0.000 2.907 260 T HA 0.594 4.944 4.350 -0.001 0.000 0.292 260 T C -1.555 172.840 174.700 -0.507 0.000 1.043 260 T CA -0.663 61.304 62.100 -0.222 0.000 1.003 260 T CB 2.089 70.890 68.868 -0.110 0.000 1.084 260 T HN 0.225 nan 8.240 nan 0.000 0.483 261 W N 0.541 121.827 121.300 -0.023 0.000 2.915 261 W HA 0.691 5.350 4.660 -0.001 0.000 0.337 261 W C -0.346 176.155 176.519 -0.029 0.000 1.102 261 W CA -0.809 56.516 57.345 -0.033 0.000 1.224 261 W CB 2.220 31.605 29.460 -0.126 0.000 1.416 261 W HN 0.577 nan 8.180 nan 0.000 0.503 262 K N 1.760 122.309 120.400 0.248 0.000 2.464 262 K HA 0.726 5.046 4.320 -0.001 0.000 0.253 262 K C -0.470 176.244 176.600 0.190 0.000 0.933 262 K CA -1.149 55.246 56.287 0.180 0.000 0.801 262 K CB 2.415 34.958 32.500 0.072 0.000 1.271 262 K HN 0.541 nan 8.250 nan 0.000 0.430 263 A N 1.705 124.562 122.820 0.061 0.000 2.531 263 A HA 0.148 4.467 4.320 -0.001 0.000 0.236 263 A C 0.172 177.667 177.584 -0.148 0.000 1.062 263 A CA -0.202 51.653 52.037 -0.303 0.000 0.760 263 A CB 0.067 18.857 19.000 -0.350 0.000 0.995 263 A HN 0.414 nan 8.150 nan 0.000 0.501 264 V N 5.567 125.382 119.914 -0.165 0.000 2.470 264 V HA 0.177 4.296 4.120 -0.001 0.000 0.276 264 V C -1.961 174.114 176.094 -0.032 0.000 1.040 264 V CA -0.992 61.276 62.300 -0.054 0.000 1.008 264 V CB 0.658 32.425 31.823 -0.093 0.000 0.990 264 V HN 0.768 nan 8.190 nan 0.000 0.477 265 P HA 0.267 nan 4.420 nan 0.000 0.268 265 P C 0.929 178.282 177.300 0.089 0.000 1.204 265 P CA 1.030 64.151 63.100 0.034 0.000 0.768 265 P CB 0.708 32.456 31.700 0.080 0.000 0.842 266 G N 1.221 109.952 108.800 -0.115 0.000 2.176 266 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.253 266 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.253 266 G C 0.120 174.464 174.900 -0.927 0.000 0.979 266 G CA 0.088 45.043 45.100 -0.241 0.000 0.641 266 G HN 0.762 nan 8.290 nan 0.000 0.530 267 Q N 1.061 120.206 119.800 -1.091 0.000 2.392 267 Q HA 0.542 4.881 4.340 -0.001 0.000 0.262 267 Q C -2.094 173.135 176.000 -1.285 0.000 1.003 267 Q CA -1.228 53.514 55.803 -1.768 0.000 0.888 267 Q CB 0.720 28.817 28.738 -1.069 0.000 1.260 267 Q HN 0.313 nan 8.270 nan 0.000 0.435 268 P HA 0.107 nan 4.420 nan 0.000 0.272 268 P C -1.236 175.616 177.300 -0.746 0.000 1.223 268 P CA -0.110 62.301 63.100 -1.147 0.000 0.784 268 P CB 0.841 31.585 31.700 -1.594 0.000 0.923 269 K N 0.099 120.196 120.400 -0.505 0.000 2.350 269 K HA 0.707 5.027 4.320 -0.001 0.000 0.241 269 K C 0.172 176.608 176.600 -0.273 0.000 0.994 269 K CA -0.952 55.142 56.287 -0.322 0.000 0.839 269 K CB 1.715 34.079 32.500 -0.226 0.000 1.244 269 K HN 0.490 nan 8.250 nan 0.000 0.443 270 G N 1.671 110.375 108.800 -0.159 0.000 3.678 270 G HA2 0.485 4.444 3.960 -0.001 0.000 0.344 270 G HA3 0.485 4.444 3.960 -0.001 0.000 0.344 270 G C -0.618 174.267 174.900 -0.025 0.000 1.450 270 G CA -0.269 44.781 45.100 -0.083 0.000 1.078 270 G HN 0.285 nan 8.290 nan 0.000 0.474 271 L N 0.069 121.274 121.223 -0.031 0.000 2.216 271 L HA 0.674 5.014 4.340 -0.001 0.000 0.260 271 L C -0.446 176.540 176.870 0.194 0.000 1.036 271 L CA -1.314 53.584 54.840 0.096 0.000 0.914 271 L CB 1.873 44.017 42.059 0.143 0.000 1.501 271 L HN 0.115 nan 8.230 nan 0.000 0.485 272 L N 1.767 123.148 121.223 0.263 0.000 2.356 272 L HA 0.439 4.778 4.340 -0.001 0.000 0.277 272 L C -2.494 174.516 176.870 0.233 0.000 0.996 272 L CA -1.639 53.297 54.840 0.160 0.000 0.822 272 L CB 2.008 44.019 42.059 -0.081 0.000 1.256 272 L HN 0.222 nan 8.230 nan 0.000 0.413 273 P HA 0.081 nan 4.420 nan 0.000 0.277 273 P C 0.208 177.667 177.300 0.265 0.000 1.354 273 P CA 0.049 63.112 63.100 -0.062 0.000 0.891 273 P CB 0.353 32.081 31.700 0.046 0.000 1.058 274 H N 2.022 121.127 119.070 0.059 0.000 2.353 274 H HA -0.040 4.516 4.556 -0.001 0.000 0.300 274 H C 0.318 175.511 175.328 -0.225 0.000 1.090 274 H CA 1.257 57.285 56.048 -0.034 0.000 1.327 274 H CB 0.407 30.146 29.762 -0.039 0.000 1.383 274 H HN 0.552 nan 8.280 nan 0.000 0.508 275 H N -1.674 117.447 119.070 0.085 0.000 2.974 275 H HA 0.366 4.921 4.556 -0.001 0.000 0.366 275 H C -0.296 174.563 175.328 -0.781 0.000 1.155 275 H CA -0.346 55.489 56.048 -0.355 0.000 1.186 275 H CB 2.105 31.796 29.762 -0.118 0.000 1.799 275 H HN 0.308 nan 8.280 nan 0.000 0.541 276 G N 0.779 108.778 108.800 -1.335 0.000 2.617 276 G HA2 0.540 4.500 3.960 -0.001 0.000 0.306 276 G HA3 0.540 4.500 3.960 -0.001 0.000 0.306 276 G C -1.339 173.229 174.900 -0.553 0.000 1.360 276 G CA -0.485 43.941 45.100 -1.124 0.000 0.983 276 G HN 0.348 nan 8.290 nan 0.000 0.496 277 V N 2.566 122.341 119.914 -0.232 0.000 2.569 277 V HA 0.382 4.501 4.120 -0.001 0.000 0.301 277 V C -0.791 175.305 176.094 0.004 0.000 1.044 277 V CA -0.785 61.471 62.300 -0.073 0.000 0.874 277 V CB 1.670 33.483 31.823 -0.017 0.000 1.002 277 V HN 0.719 nan 8.190 nan 0.000 0.424 278 L N 5.195 126.418 121.223 0.000 0.000 2.261 278 L HA 0.822 5.161 4.340 -0.001 0.000 0.289 278 L C 0.574 177.466 176.870 0.036 0.000 1.059 278 L CA 0.255 55.093 54.840 -0.003 0.000 0.816 278 L CB 0.732 42.801 42.059 0.016 0.000 1.191 278 L HN 0.813 nan 8.230 nan 0.000 0.431 279 A N 3.092 125.942 122.820 0.049 0.000 2.287 279 A HA 0.453 4.772 4.320 -0.001 0.000 0.273 279 A C 1.220 178.811 177.584 0.012 0.000 1.091 279 A CA 0.218 52.294 52.037 0.065 0.000 0.817 279 A CB 0.347 19.453 19.000 0.177 0.000 1.069 279 A HN 0.963 nan 8.150 nan 0.000 0.492 280 S N 0.363 116.065 115.700 0.004 0.000 2.474 280 S HA -0.162 4.307 4.470 -0.001 0.000 0.235 280 S C 1.026 175.613 174.600 -0.022 0.000 0.997 280 S CA 1.252 59.447 58.200 -0.009 0.000 0.949 280 S CB -0.531 62.658 63.200 -0.018 0.000 0.766 280 S HN 0.891 nan 8.310 nan 0.000 0.517 281 N N 1.190 119.871 118.700 -0.032 0.000 2.398 281 N HA 0.215 4.954 4.740 -0.001 0.000 0.188 281 N C 1.231 176.687 175.510 -0.090 0.000 1.122 281 N CA 0.697 53.714 53.050 -0.055 0.000 0.866 281 N CB -0.452 38.002 38.487 -0.055 0.000 0.970 281 N HN 0.615 nan 8.380 nan 0.000 0.462 282 G N -0.481 108.264 108.800 -0.092 0.000 2.175 282 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.244 282 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.244 282 G C -0.195 174.566 174.900 -0.231 0.000 0.982 282 G CA 0.146 45.168 45.100 -0.130 0.000 0.641 282 G HN 0.222 nan 8.290 nan 0.000 0.527 283 M N 0.594 120.032 119.600 -0.269 0.000 2.146 283 M HA 0.487 4.967 4.480 -0.001 0.000 0.352 283 M C 0.168 176.199 176.300 -0.449 0.000 1.343 283 M CA -1.032 53.992 55.300 -0.460 0.000 1.115 283 M CB 0.855 33.056 32.600 -0.665 0.000 1.657 283 M HN 0.228 nan 8.290 nan 0.000 0.471 284 L N 6.560 127.535 121.223 -0.413 0.000 2.259 284 L HA 0.364 4.703 4.340 -0.001 0.000 0.288 284 L C -1.417 175.321 176.870 -0.220 0.000 1.051 284 L CA -0.100 54.576 54.840 -0.273 0.000 0.824 284 L CB -0.110 41.787 42.059 -0.270 0.000 1.206 284 L HN 0.408 nan 8.230 nan 0.000 0.429 285 Y N 5.647 125.926 120.300 -0.036 0.000 2.304 285 Y HA 0.579 5.128 4.550 -0.001 0.000 0.328 285 Y C 0.166 176.084 175.900 0.030 0.000 1.123 285 Y CA -0.163 57.962 58.100 0.041 0.000 1.218 285 Y CB 0.942 39.416 38.460 0.024 0.000 1.207 285 Y HN 0.414 nan 8.280 nan 0.000 0.495 286 I N 2.512 123.270 120.570 0.314 0.000 2.534 286 I HA 0.290 4.459 4.170 -0.001 0.000 0.288 286 I C -0.717 175.546 176.117 0.245 0.000 1.077 286 I CA -0.901 60.515 61.300 0.193 0.000 1.051 286 I CB 2.338 40.485 38.000 0.245 0.000 1.234 286 I HN 0.557 nan 8.210 nan 0.000 0.425 287 T N 1.602 116.233 114.554 0.128 0.000 2.875 287 T HA 0.665 5.015 4.350 -0.001 0.000 0.284 287 T C -0.858 173.913 174.700 0.118 0.000 0.995 287 T CA -0.548 61.679 62.100 0.213 0.000 1.060 287 T CB 0.999 70.001 68.868 0.224 0.000 0.967 287 T HN 0.317 nan 8.240 nan 0.000 0.476 288 Y N 0.126 120.615 120.300 0.314 0.000 2.499 288 Y HA 0.702 5.252 4.550 -0.001 0.000 0.347 288 Y C 0.667 176.699 175.900 0.220 0.000 0.987 288 Y CA -0.871 57.400 58.100 0.285 0.000 1.044 288 Y CB 2.822 41.434 38.460 0.253 0.000 1.245 288 Y HN 1.164 nan 8.280 nan 0.000 0.461 289 G N 0.080 109.102 108.800 0.369 0.000 2.672 289 G HA2 0.304 4.264 3.960 -0.001 0.000 0.292 289 G HA3 0.304 4.264 3.960 -0.001 0.000 0.292 289 G C -0.684 174.357 174.900 0.233 0.000 1.375 289 G CA -0.826 44.420 45.100 0.243 0.000 0.890 289 G HN 0.620 nan 8.290 nan 0.000 0.476 290 D N -1.152 119.365 120.400 0.195 0.000 2.347 290 D HA 0.023 4.662 4.640 -0.001 0.000 0.215 290 D C 1.128 177.511 176.300 0.139 0.000 0.976 290 D CA 0.984 55.080 54.000 0.159 0.000 0.884 290 D CB 0.017 40.919 40.800 0.170 0.000 0.915 290 D HN 0.530 nan 8.370 nan 0.000 0.526 291 T N -3.162 111.506 114.554 0.191 0.000 2.887 291 T HA 0.392 4.742 4.350 -0.001 0.000 0.292 291 T C 1.205 176.049 174.700 0.239 0.000 1.087 291 T CA -0.320 61.937 62.100 0.261 0.000 1.009 291 T CB 1.313 70.451 68.868 0.449 0.000 1.203 291 T HN 0.175 nan 8.240 nan 0.000 0.518 292 C N -0.284 119.169 119.300 0.255 0.000 2.594 292 C HA 0.668 5.128 4.460 -0.001 0.000 0.265 292 C C 1.706 176.781 174.990 0.142 0.000 1.351 292 C CA 0.022 59.096 59.018 0.093 0.000 1.744 292 C CB -1.870 25.954 27.740 0.140 0.000 1.890 292 C HN 1.745 nan 8.230 nan 0.000 0.551 293 G N 1.897 110.827 108.800 0.217 0.000 2.693 293 G HA2 -0.115 3.845 3.960 -0.001 0.000 0.226 293 G HA3 -0.115 3.845 3.960 -0.001 0.000 0.226 293 G C -1.764 173.124 174.900 -0.019 0.000 1.354 293 G CA 0.099 45.285 45.100 0.144 0.000 0.873 293 G HN 0.262 nan 8.290 nan 0.000 0.562 294 P HA 0.183 nan 4.420 nan 0.000 0.261 294 P C 0.683 177.861 177.300 -0.204 0.000 1.268 294 P CA 0.930 63.892 63.100 -0.230 0.000 0.833 294 P CB 0.042 31.430 31.700 -0.520 0.000 1.231 295 Y N 0.189 120.600 120.300 0.185 0.000 2.462 295 Y HA 0.154 4.703 4.550 -0.001 0.000 0.261 295 Y C 0.577 176.773 175.900 0.494 0.000 1.146 295 Y CA -0.629 57.689 58.100 0.364 0.000 1.283 295 Y CB -0.302 38.329 38.460 0.285 0.000 1.090 295 Y HN -0.067 nan 8.280 nan 0.000 0.526 296 D N 0.270 120.961 120.400 0.485 0.000 2.423 296 D HA 0.347 4.986 4.640 -0.001 0.000 0.238 296 D C 0.556 177.137 176.300 0.469 0.000 1.142 296 D CA 0.719 54.997 54.000 0.464 0.000 0.884 296 D CB 0.940 41.981 40.800 0.401 0.000 1.199 296 D HN 0.307 nan 8.370 nan 0.000 0.438 297 G N 0.190 109.264 108.800 0.458 0.000 2.730 297 G HA2 0.309 4.268 3.960 -0.001 0.000 0.289 297 G HA3 0.309 4.268 3.960 -0.001 0.000 0.289 297 G C -0.488 174.587 174.900 0.291 0.000 1.341 297 G CA -0.979 44.381 45.100 0.434 0.000 0.932 297 G HN 0.729 nan 8.290 nan 0.000 0.481 298 N N -0.304 118.550 118.700 0.256 0.000 2.691 298 N HA -0.083 4.656 4.740 -0.001 0.000 0.277 298 N C 0.292 175.872 175.510 0.117 0.000 1.029 298 N CA 1.208 54.353 53.050 0.158 0.000 0.798 298 N CB -0.883 37.685 38.487 0.134 0.000 0.922 298 N HN 2.056 nan 8.380 nan 0.000 0.562 299 G N 0.806 109.670 108.800 0.107 0.000 3.393 299 G HA2 -0.028 3.931 3.960 -0.001 0.000 0.676 299 G HA3 -0.028 3.931 3.960 -0.001 0.000 0.676 299 G C -1.462 173.433 174.900 -0.009 0.000 1.224 299 G CA -0.733 44.420 45.100 0.088 0.000 1.109 299 G HN 0.330 nan 8.290 nan 0.000 0.519 300 K N 0.277 120.695 120.400 0.030 0.000 2.502 300 K HA 0.920 5.240 4.320 -0.001 0.000 0.257 300 K C 0.200 176.877 176.600 0.128 0.000 0.938 300 K CA -0.111 56.193 56.287 0.028 0.000 0.819 300 K CB 2.469 35.035 32.500 0.110 0.000 1.333 300 K HN 1.448 nan 8.250 nan 0.000 0.434 301 G N 0.828 109.729 108.800 0.168 0.000 2.690 301 G HA2 0.645 4.604 3.960 -0.001 0.000 0.293 301 G HA3 0.645 4.604 3.960 -0.001 0.000 0.293 301 G C -1.442 173.757 174.900 0.499 0.000 1.399 301 G CA -0.405 44.879 45.100 0.306 0.000 0.890 301 G HN 0.334 nan 8.290 nan 0.000 0.485 302 Q N -0.977 119.127 119.800 0.507 0.000 2.456 302 Q HA 0.677 5.016 4.340 -0.001 0.000 0.283 302 Q C -1.351 174.871 176.000 0.371 0.000 1.084 302 Q CA -0.959 55.053 55.803 0.348 0.000 0.801 302 Q CB 3.441 32.339 28.738 0.267 0.000 1.434 302 Q HN 0.411 nan 8.270 nan 0.000 0.419 303 V N 0.727 120.678 119.914 0.062 0.000 2.638 303 V HA 0.541 4.661 4.120 -0.001 0.000 0.306 303 V C -1.433 174.714 176.094 0.088 0.000 1.052 303 V CA -0.788 61.594 62.300 0.137 0.000 0.885 303 V CB 1.208 32.928 31.823 -0.172 0.000 0.999 303 V HN 0.678 nan 8.190 nan 0.000 0.424 304 W N 2.922 124.439 121.300 0.361 0.000 2.882 304 W HA 0.742 5.401 4.660 -0.001 0.000 0.345 304 W C -0.276 176.433 176.519 0.317 0.000 1.125 304 W CA -0.833 56.741 57.345 0.382 0.000 1.167 304 W CB 1.977 31.791 29.460 0.591 0.000 1.431 304 W HN 0.510 nan 8.180 nan 0.000 0.543 305 K N 1.673 122.323 120.400 0.417 0.000 2.376 305 K HA 0.655 4.974 4.320 -0.001 0.000 0.257 305 K C -1.525 175.080 176.600 0.010 0.000 0.939 305 K CA -0.742 55.577 56.287 0.053 0.000 0.809 305 K CB 2.062 34.403 32.500 -0.266 0.000 1.121 305 K HN 0.340 nan 8.250 nan 0.000 0.425 306 F N 3.352 123.032 119.950 -0.452 0.000 2.404 306 F HA 0.295 4.821 4.527 -0.001 0.000 0.354 306 F C -0.333 175.139 175.800 -0.547 0.000 1.122 306 F CA -1.151 56.353 58.000 -0.826 0.000 1.080 306 F CB 1.102 39.231 39.000 -1.451 0.000 1.131 306 F HN 0.663 nan 8.300 nan 0.000 0.471 307 N N 4.108 122.185 118.700 -1.037 0.000 2.415 307 N HA -0.003 4.736 4.740 -0.001 0.000 0.250 307 N C 1.128 175.893 175.510 -1.241 0.000 1.127 307 N CA 0.586 53.120 53.050 -0.861 0.000 0.945 307 N CB 1.028 39.216 38.487 -0.498 0.000 1.196 307 N HN 0.838 nan 8.380 nan 0.000 0.499 308 T N 1.283 115.291 114.554 -0.911 0.000 3.007 308 T HA -0.031 4.319 4.350 -0.001 0.000 0.270 308 T C 1.544 176.075 174.700 -0.281 0.000 1.107 308 T CA 0.882 62.644 62.100 -0.564 0.000 1.118 308 T CB 0.121 68.918 68.868 -0.118 0.000 0.889 308 T HN 0.436 nan 8.240 nan 0.000 0.506 309 R N 0.989 121.318 120.500 -0.284 0.000 2.080 309 R HA 0.051 4.391 4.340 -0.001 0.000 0.222 309 R C 2.834 179.045 176.300 -0.148 0.000 1.107 309 R CA 1.719 57.723 56.100 -0.160 0.000 0.980 309 R CB -0.351 29.867 30.300 -0.136 0.000 0.879 309 R HN 0.657 nan 8.270 nan 0.000 0.439 310 T N -4.155 110.268 114.554 -0.218 0.000 2.990 310 T HA 0.227 4.576 4.350 -0.001 0.000 0.250 310 T C 1.394 176.024 174.700 -0.116 0.000 1.041 310 T CA 0.519 62.533 62.100 -0.144 0.000 1.010 310 T CB 1.060 69.848 68.868 -0.133 0.000 1.003 310 T HN 0.360 nan 8.240 nan 0.000 0.499 311 G N 1.275 109.932 108.800 -0.238 0.000 2.179 311 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.260 311 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.260 311 G C -0.181 174.777 174.900 0.098 0.000 0.977 311 G CA 0.253 45.359 45.100 0.010 0.000 0.641 311 G HN 0.820 nan 8.290 nan 0.000 0.533 312 E N -0.350 119.784 120.200 -0.111 0.000 2.289 312 E HA 0.422 4.771 4.350 -0.001 0.000 0.278 312 E C -0.443 176.189 176.600 0.053 0.000 1.032 312 E CA -0.931 55.494 56.400 0.042 0.000 0.854 312 E CB 0.390 30.087 29.700 -0.006 0.000 1.046 312 E HN 0.301 nan 8.360 nan 0.000 0.409 313 W N 4.843 126.299 121.300 0.261 0.000 2.433 313 W HA 0.440 5.099 4.660 -0.001 0.000 0.315 313 W C -0.376 176.389 176.519 0.410 0.000 1.087 313 W CA -0.358 57.218 57.345 0.386 0.000 1.205 313 W CB 0.870 30.505 29.460 0.291 0.000 1.288 313 W HN 0.342 nan 8.180 nan 0.000 0.504 314 I N 3.277 124.208 120.570 0.600 0.000 2.447 314 I HA 0.083 4.252 4.170 -0.001 0.000 0.287 314 I C -0.384 175.732 176.117 -0.001 0.000 1.023 314 I CA -0.989 60.474 61.300 0.272 0.000 1.083 314 I CB 1.568 39.625 38.000 0.094 0.000 1.245 314 I HN 0.216 nan 8.210 nan 0.000 0.434 315 D N 7.471 127.526 120.400 -0.574 0.000 2.339 315 D HA 0.200 4.839 4.640 -0.001 0.000 0.256 315 D C 0.389 176.392 176.300 -0.495 0.000 1.214 315 D CA 0.061 53.338 54.000 -1.205 0.000 0.877 315 D CB 0.850 40.941 40.800 -1.182 0.000 1.111 315 D HN 0.522 nan 8.370 nan 0.000 0.478 316 I N 0.426 120.781 120.570 -0.358 0.000 3.707 316 I HA 0.228 4.397 4.170 -0.001 0.000 0.330 316 I C -0.031 176.055 176.117 -0.051 0.000 1.572 316 I CA -0.690 60.590 61.300 -0.034 0.000 1.104 316 I CB 0.317 38.422 38.000 0.176 0.000 1.240 316 I HN -0.048 nan 8.210 nan 0.000 0.475 317 T N 3.805 118.175 114.554 -0.308 0.000 2.829 317 T HA 0.103 4.452 4.350 -0.001 0.000 0.293 317 T C -1.415 172.934 174.700 -0.585 0.000 0.970 317 T CA -0.363 61.452 62.100 -0.475 0.000 1.168 317 T CB 0.729 69.427 68.868 -0.283 0.000 0.911 317 T HN 0.182 nan 8.240 nan 0.000 0.535 318 P HA -0.002 nan 4.420 nan 0.000 0.216 318 P C 0.144 177.024 177.300 -0.701 0.000 1.153 318 P CA 1.053 63.309 63.100 -1.407 0.000 0.858 318 P CB 0.140 30.363 31.700 -2.461 0.000 0.789 319 I N -0.613 119.693 120.570 -0.440 0.000 2.362 319 I HA 0.284 4.453 4.170 -0.001 0.000 0.289 319 I C -2.418 173.639 176.117 -0.100 0.000 0.994 319 I CA -3.124 58.073 61.300 -0.171 0.000 1.158 319 I CB 1.809 39.758 38.000 -0.086 0.000 1.315 319 I HN -0.315 nan 8.210 nan 0.000 0.451 320 P HA -0.136 nan 4.420 nan 0.000 0.261 320 P C 0.272 177.580 177.300 0.014 0.000 1.173 320 P CA 0.298 63.381 63.100 -0.027 0.000 0.760 320 P CB 0.284 31.971 31.700 -0.020 0.000 0.783 321 Y N 3.973 124.235 120.300 -0.065 0.000 2.241 321 Y HA -0.290 4.259 4.550 -0.001 0.000 0.286 321 Y C 2.085 177.962 175.900 -0.038 0.000 1.166 321 Y CA 2.418 60.494 58.100 -0.039 0.000 1.203 321 Y CB -0.495 37.961 38.460 -0.007 0.000 0.977 321 Y HN 0.372 nan 8.280 nan 0.000 0.529 322 S N -1.272 114.417 115.700 -0.018 0.000 2.447 322 S HA -0.072 4.397 4.470 -0.001 0.000 0.233 322 S C 1.278 175.808 174.600 -0.117 0.000 1.006 322 S CA 0.430 58.575 58.200 -0.091 0.000 0.957 322 S CB -0.664 62.538 63.200 0.003 0.000 0.773 322 S HN 0.335 nan 8.310 nan 0.000 0.507 323 S N 1.975 117.616 115.700 -0.099 0.000 2.549 323 S HA 0.273 4.742 4.470 -0.001 0.000 0.279 323 S C 1.353 175.879 174.600 -0.125 0.000 1.321 323 S CA -0.067 58.081 58.200 -0.087 0.000 1.054 323 S CB 0.798 63.964 63.200 -0.056 0.000 0.899 323 S HN 0.549 nan 8.310 nan 0.000 0.497 324 S N 2.959 118.604 115.700 -0.091 0.000 2.507 324 S HA -0.069 4.400 4.470 -0.001 0.000 0.235 324 S C 0.915 175.470 174.600 -0.075 0.000 0.988 324 S CA 0.750 58.897 58.200 -0.089 0.000 0.944 324 S CB -0.259 62.907 63.200 -0.056 0.000 0.762 324 S HN 0.786 nan 8.310 nan 0.000 0.526 325 D N 1.984 122.351 120.400 -0.056 0.000 2.269 325 D HA -0.018 4.621 4.640 -0.001 0.000 0.208 325 D C 0.534 176.715 176.300 -0.198 0.000 0.963 325 D CA 0.474 54.452 54.000 -0.037 0.000 0.864 325 D CB -0.499 40.321 40.800 0.033 0.000 0.936 325 D HN 0.432 nan 8.370 nan 0.000 0.505 326 N N 1.508 120.052 118.700 -0.260 0.000 2.400 326 N HA -0.030 4.710 4.740 -0.001 0.000 0.267 326 N C 0.255 175.469 175.510 -0.493 0.000 1.208 326 N CA 0.112 52.897 53.050 -0.442 0.000 0.951 326 N CB 0.175 38.503 38.487 -0.265 0.000 1.227 326 N HN 0.232 nan 8.380 nan 0.000 0.488 327 R N 2.449 122.470 120.500 -0.799 0.000 2.615 327 R HA 0.208 4.547 4.340 -0.001 0.000 0.448 327 R C -0.958 175.199 176.300 -0.238 0.000 1.009 327 R CA -0.454 55.417 56.100 -0.382 0.000 1.111 327 R CB -0.346 29.895 30.300 -0.099 0.000 1.461 327 R HN 0.204 nan 8.270 nan 0.000 0.587 328 F N -2.282 117.595 119.950 -0.122 0.000 2.703 328 F HA 0.488 5.015 4.527 -0.001 0.000 0.308 328 F C -0.537 175.115 175.800 -0.246 0.000 1.126 328 F CA -2.137 55.772 58.000 -0.152 0.000 0.959 328 F CB 0.119 39.008 39.000 -0.183 0.000 1.297 328 F HN -0.209 nan 8.300 nan 0.000 0.441 329 C N 1.847 121.197 119.300 0.083 0.000 2.597 329 C HA 0.212 4.672 4.460 -0.001 0.000 0.412 329 C C 0.105 175.010 174.990 -0.141 0.000 1.348 329 C CA 0.056 59.072 59.018 -0.003 0.000 1.769 329 C CB -1.303 26.423 27.740 -0.023 0.000 2.641 329 C HN 0.500 nan 8.230 nan 0.000 0.612 330 F N 1.525 121.538 119.950 0.104 0.000 2.404 330 F HA 0.515 5.041 4.527 -0.001 0.000 0.345 330 F C 0.809 176.538 175.800 -0.119 0.000 1.110 330 F CA 0.218 58.245 58.000 0.046 0.000 1.130 330 F CB 0.801 39.837 39.000 0.061 0.000 1.129 330 F HN 0.779 nan 8.300 nan 0.000 0.500 331 A N 2.643 125.507 122.820 0.073 0.000 1.878 331 A HA 0.529 4.849 4.320 -0.001 0.000 0.188 331 A C 1.173 178.933 177.584 0.294 0.000 2.104 331 A CA 0.379 52.398 52.037 -0.030 0.000 1.140 331 A CB -0.979 17.988 19.000 -0.057 0.000 1.057 331 A HN 0.776 nan 8.150 nan 0.000 0.646 332 G N 0.086 109.032 108.800 0.243 0.000 2.414 332 G HA2 0.430 4.390 3.960 -0.001 0.000 0.236 332 G HA3 0.430 4.390 3.960 -0.001 0.000 0.236 332 G C -0.769 174.196 174.900 0.108 0.000 1.293 332 G CA 0.428 45.635 45.100 0.178 0.000 0.869 332 G HN 0.902 nan 8.290 nan 0.000 0.556 333 L N 2.191 123.384 121.223 -0.049 0.000 2.476 333 L HA 0.777 5.116 4.340 -0.001 0.000 0.269 333 L C -0.214 176.590 176.870 -0.111 0.000 0.965 333 L CA -0.704 54.110 54.840 -0.043 0.000 0.845 333 L CB 1.690 43.747 42.059 -0.004 0.000 1.259 333 L HN 0.820 nan 8.230 nan 0.000 0.403 334 A N 4.502 127.280 122.820 -0.070 0.000 2.386 334 A HA 0.903 5.222 4.320 -0.001 0.000 0.311 334 A C -1.532 175.968 177.584 -0.140 0.000 1.068 334 A CA -0.568 51.416 52.037 -0.089 0.000 0.743 334 A CB 1.906 20.878 19.000 -0.047 0.000 1.258 334 A HN 0.537 nan 8.150 nan 0.000 0.429 335 V N 2.155 121.978 119.914 -0.151 0.000 2.588 335 V HA 0.276 4.395 4.120 -0.001 0.000 0.304 335 V C -0.615 175.386 176.094 -0.154 0.000 1.042 335 V CA -0.774 61.410 62.300 -0.193 0.000 0.877 335 V CB 1.867 33.591 31.823 -0.165 0.000 0.996 335 V HN 0.958 nan 8.190 nan 0.000 0.425 336 D N 3.566 123.870 120.400 -0.160 0.000 2.382 336 D HA 0.039 4.678 4.640 -0.001 0.000 0.259 336 D C 1.261 177.478 176.300 -0.138 0.000 1.224 336 D CA 0.158 54.068 54.000 -0.149 0.000 0.894 336 D CB 0.804 41.522 40.800 -0.138 0.000 1.127 336 D HN 0.552 nan 8.370 nan 0.000 0.487 337 R N 3.104 123.505 120.500 -0.164 0.000 2.152 337 R HA -0.158 4.182 4.340 -0.001 0.000 0.232 337 R C 1.187 177.406 176.300 -0.136 0.000 1.117 337 R CA 1.291 57.295 56.100 -0.159 0.000 0.981 337 R CB 0.238 30.395 30.300 -0.238 0.000 0.870 337 R HN 0.583 nan 8.270 nan 0.000 0.451 338 Q N -0.705 119.015 119.800 -0.133 0.000 2.392 338 Q HA 0.060 4.399 4.340 -0.001 0.000 0.203 338 Q C -0.300 175.652 176.000 -0.080 0.000 0.917 338 Q CA 0.076 55.819 55.803 -0.100 0.000 0.939 338 Q CB 0.500 29.183 28.738 -0.092 0.000 1.063 338 Q HN 0.058 nan 8.270 nan 0.000 0.516 339 N N 0.082 118.730 118.700 -0.087 0.000 2.699 339 N HA 0.099 4.838 4.740 -0.001 0.000 0.271 339 N C -2.522 172.938 175.510 -0.083 0.000 1.216 339 N CA -1.593 51.409 53.050 -0.081 0.000 0.844 339 N CB 1.517 39.951 38.487 -0.089 0.000 1.462 339 N HN -0.232 nan 8.380 nan 0.000 0.555 340 P HA 0.048 nan 4.420 nan 0.000 0.234 340 P C 0.038 177.340 177.300 0.004 0.000 1.167 340 P CA 0.717 63.812 63.100 -0.008 0.000 0.763 340 P CB 0.595 32.306 31.700 0.019 0.000 0.835 341 D N -0.278 120.088 120.400 -0.058 0.000 2.349 341 D HA 0.101 4.741 4.640 -0.001 0.000 0.215 341 D C 0.889 177.066 176.300 -0.204 0.000 1.016 341 D CA 0.314 54.255 54.000 -0.098 0.000 0.870 341 D CB 0.177 40.912 40.800 -0.108 0.000 0.917 341 D HN 0.291 nan 8.370 nan 0.000 0.524 342 I N 2.681 123.130 120.570 -0.202 0.000 2.312 342 I HA 0.237 4.406 4.170 -0.001 0.000 0.291 342 I C 0.216 176.162 176.117 -0.286 0.000 1.031 342 I CA -0.380 60.774 61.300 -0.243 0.000 1.293 342 I CB 0.610 38.498 38.000 -0.186 0.000 1.403 342 I HN -0.156 nan 8.210 nan 0.000 0.484 343 I N 3.702 124.069 120.570 -0.339 0.000 2.894 343 I HA 0.665 4.834 4.170 -0.001 0.000 0.302 343 I C -1.316 174.744 176.117 -0.095 0.000 1.188 343 I CA -0.958 60.153 61.300 -0.316 0.000 1.014 343 I CB 2.564 40.232 38.000 -0.553 0.000 1.242 343 I HN 0.449 nan 8.210 nan 0.000 0.430 344 M N 5.251 124.867 119.600 0.026 0.000 2.446 344 M HA 0.721 5.200 4.480 -0.001 0.000 0.294 344 M C -0.959 175.444 176.300 0.172 0.000 1.158 344 M CA -0.946 54.462 55.300 0.181 0.000 0.899 344 M CB 2.866 35.533 32.600 0.112 0.000 1.687 344 M HN 0.609 nan 8.290 nan 0.000 0.455 345 V N -1.057 118.981 119.914 0.206 0.000 3.078 345 V HA 0.988 5.107 4.120 -0.001 0.000 0.311 345 V C -0.576 175.642 176.094 0.207 0.000 1.138 345 V CA -0.579 61.800 62.300 0.133 0.000 1.007 345 V CB 1.811 33.607 31.823 -0.045 0.000 1.045 345 V HN 0.964 nan 8.190 nan 0.000 0.432 346 T N -0.405 114.276 114.554 0.212 0.000 2.916 346 T HA 0.743 5.092 4.350 -0.001 0.000 0.292 346 T C 0.033 174.820 174.700 0.145 0.000 1.055 346 T CA -0.020 62.164 62.100 0.140 0.000 1.009 346 T CB 1.519 70.385 68.868 -0.002 0.000 1.118 346 T HN 1.738 nan 8.240 nan 0.000 0.497 347 S N 1.901 117.558 115.700 -0.071 0.000 2.601 347 S HA 0.611 5.080 4.470 -0.001 0.000 0.271 347 S C -0.138 174.292 174.600 -0.284 0.000 1.305 347 S CA -0.955 57.001 58.200 -0.407 0.000 1.022 347 S CB 0.522 63.063 63.200 -1.099 0.000 0.940 347 S HN 1.021 nan 8.310 nan 0.000 0.525 348 M N 2.705 122.165 119.600 -0.233 0.000 2.210 348 M HA 0.385 4.864 4.480 -0.001 0.000 0.235 348 M C -2.279 173.978 176.300 -0.071 0.000 0.974 348 M CA -0.288 54.910 55.300 -0.170 0.000 1.043 348 M CB 0.431 32.986 32.600 -0.076 0.000 2.331 348 M HN 0.878 nan 8.290 nan 0.000 0.452 349 N N 2.028 120.653 118.700 -0.124 0.000 2.258 349 N HA 0.629 5.369 4.740 -0.001 0.000 0.299 349 N C 0.439 175.843 175.510 -0.177 0.000 1.047 349 N CA -0.418 52.380 53.050 -0.420 0.000 0.814 349 N CB 2.069 39.844 38.487 -1.187 0.000 1.413 349 N HN 0.593 nan 8.380 nan 0.000 0.478 350 A N 1.218 123.924 122.820 -0.189 0.000 1.969 350 A HA -0.064 4.256 4.320 -0.001 0.000 0.218 350 A C 0.622 178.440 177.584 0.390 0.000 1.169 350 A CA 1.068 53.233 52.037 0.213 0.000 0.635 350 A CB -0.928 18.264 19.000 0.321 0.000 0.810 350 A HN 1.051 nan 8.150 nan 0.000 0.445 351 W N -4.481 116.949 121.300 0.218 0.000 1.286 351 W HA -0.277 4.383 4.660 -0.001 0.000 0.226 351 W C 0.535 177.204 176.519 0.251 0.000 0.936 351 W CA 1.351 58.812 57.345 0.193 0.000 0.382 351 W CB -1.199 28.358 29.460 0.162 0.000 1.933 351 W HN 0.573 nan 8.180 nan 0.000 1.446 352 W N 2.221 123.710 121.300 0.315 0.000 3.129 352 W HA 0.475 5.134 4.660 -0.001 0.000 0.333 352 W C -1.987 174.694 176.519 0.270 0.000 1.141 352 W CA -1.601 55.877 57.345 0.223 0.000 1.224 352 W CB 1.145 30.733 29.460 0.214 0.000 1.393 352 W HN -0.395 nan 8.180 nan 0.000 0.499 353 P HA 0.051 nan 4.420 nan 0.000 0.231 353 P C -0.384 176.555 177.300 -0.601 0.000 1.168 353 P CA 1.336 63.722 63.100 -1.189 0.000 0.779 353 P CB 0.833 31.667 31.700 -1.443 0.000 0.844 354 D N -1.988 118.169 120.400 -0.405 0.000 2.769 354 D HA 0.130 4.769 4.640 -0.001 0.000 0.309 354 D C -0.865 175.361 176.300 -0.124 0.000 1.315 354 D CA -0.392 53.449 54.000 -0.266 0.000 0.780 354 D CB 0.760 41.271 40.800 -0.481 0.000 1.312 354 D HN -0.338 nan 8.370 nan 0.000 0.437 355 E N -0.040 120.112 120.200 -0.080 0.000 2.369 355 E HA 0.271 4.621 4.350 -0.001 0.000 0.255 355 E C -0.579 175.974 176.600 -0.079 0.000 1.172 355 E CA 0.085 56.445 56.400 -0.067 0.000 0.932 355 E CB 0.227 29.853 29.700 -0.124 0.000 1.040 355 E HN 0.323 nan 8.360 nan 0.000 0.454 356 Y N -0.096 120.074 120.300 -0.216 0.000 2.341 356 Y HA 0.422 4.971 4.550 -0.001 0.000 0.337 356 Y C 0.235 175.936 175.900 -0.331 0.000 1.014 356 Y CA -0.552 57.337 58.100 -0.352 0.000 1.111 356 Y CB 1.097 39.319 38.460 -0.397 0.000 1.194 356 Y HN 0.159 nan 8.280 nan 0.000 0.462 357 I N 4.640 125.043 120.570 -0.279 0.000 2.420 357 I HA 0.252 4.422 4.170 -0.001 0.000 0.282 357 I C -1.201 174.898 176.117 -0.029 0.000 1.019 357 I CA -0.414 60.811 61.300 -0.125 0.000 1.130 357 I CB 0.704 38.595 38.000 -0.181 0.000 1.262 357 I HN 0.417 nan 8.210 nan 0.000 0.454 358 F N 5.274 125.335 119.950 0.184 0.000 2.404 358 F HA 0.561 5.088 4.527 -0.001 0.000 0.339 358 F C 0.522 176.514 175.800 0.320 0.000 1.105 358 F CA -0.439 57.702 58.000 0.236 0.000 1.087 358 F CB 1.319 40.310 39.000 -0.015 0.000 1.143 358 F HN 0.353 nan 8.300 nan 0.000 0.491 359 R N 1.730 122.457 120.500 0.378 0.000 2.599 359 R HA 0.636 4.975 4.340 -0.001 0.000 0.295 359 R C -1.185 175.041 176.300 -0.124 0.000 0.963 359 R CA -0.454 55.629 56.100 -0.027 0.000 0.883 359 R CB 1.779 31.628 30.300 -0.752 0.000 1.171 359 R HN 0.687 nan 8.270 nan 0.000 0.450 360 S N 0.860 116.311 115.700 -0.415 0.000 2.513 360 S HA 0.313 4.782 4.470 -0.001 0.000 0.299 360 S C 0.249 174.543 174.600 -0.510 0.000 1.087 360 S CA -0.499 57.273 58.200 -0.713 0.000 1.012 360 S CB 1.638 63.946 63.200 -1.488 0.000 1.044 360 S HN 0.724 nan 8.310 nan 0.000 0.485 361 T N -0.330 113.973 114.554 -0.419 0.000 3.084 361 T HA 0.262 4.611 4.350 -0.001 0.000 0.270 361 T C -0.207 174.335 174.700 -0.263 0.000 1.008 361 T CA -0.087 61.828 62.100 -0.308 0.000 0.900 361 T CB -0.264 68.452 68.868 -0.254 0.000 1.084 361 T HN 0.609 nan 8.240 nan 0.000 0.538 362 D N 0.349 120.562 120.400 -0.311 0.000 2.895 362 D HA 0.343 4.982 4.640 -0.001 0.000 0.350 362 D C 1.246 177.402 176.300 -0.240 0.000 1.389 362 D CA -0.463 53.394 54.000 -0.237 0.000 0.812 362 D CB -0.244 40.432 40.800 -0.208 0.000 1.164 362 D HN 0.319 nan 8.370 nan 0.000 0.455 363 G N -0.098 108.556 108.800 -0.245 0.000 2.225 363 G HA2 -0.037 3.922 3.960 -0.001 0.000 0.267 363 G HA3 -0.037 3.922 3.960 -0.001 0.000 0.267 363 G C 1.183 175.985 174.900 -0.163 0.000 1.024 363 G CA 0.495 45.523 45.100 -0.120 0.000 0.784 363 G HN 1.535 nan 8.290 nan 0.000 0.507 364 G N -1.997 106.496 108.800 -0.512 0.000 2.175 364 G HA2 0.112 4.071 3.960 -0.001 0.000 0.244 364 G HA3 0.112 4.071 3.960 -0.001 0.000 0.244 364 G C 1.544 176.216 174.900 -0.379 0.000 0.982 364 G CA 1.181 45.898 45.100 -0.637 0.000 0.641 364 G HN 2.005 nan 8.290 nan 0.000 0.527 365 A N -0.995 121.640 122.820 -0.308 0.000 1.902 365 A HA 0.421 4.740 4.320 -0.001 0.000 0.217 365 A C 1.492 178.970 177.584 -0.176 0.000 1.181 365 A CA 2.711 54.641 52.037 -0.179 0.000 0.623 365 A CB -0.117 18.795 19.000 -0.146 0.000 0.818 365 A HN 1.471 nan 8.150 nan 0.000 0.443 366 T N -2.595 111.773 114.554 -0.310 0.000 2.906 366 T HA 0.539 4.888 4.350 -0.001 0.000 0.295 366 T C -2.016 172.449 174.700 -0.393 0.000 1.061 366 T CA -0.564 61.414 62.100 -0.203 0.000 1.000 366 T CB 0.743 69.541 68.868 -0.117 0.000 1.103 366 T HN 0.346 nan 8.240 nan 0.000 0.486 367 W N 1.668 122.922 121.300 -0.078 0.000 3.031 367 W HA 0.697 5.356 4.660 -0.001 0.000 0.337 367 W C -0.452 176.106 176.519 0.066 0.000 1.187 367 W CA -0.832 56.491 57.345 -0.036 0.000 1.166 367 W CB 1.637 31.049 29.460 -0.079 0.000 1.437 367 W HN 0.475 nan 8.180 nan 0.000 0.551 368 K N 2.038 122.657 120.400 0.366 0.000 2.443 368 K HA 0.343 4.662 4.320 -0.001 0.000 0.252 368 K C -0.852 176.007 176.600 0.432 0.000 0.933 368 K CA -0.774 55.694 56.287 0.301 0.000 0.792 368 K CB 1.359 33.884 32.500 0.042 0.000 1.185 368 K HN 0.469 nan 8.250 nan 0.000 0.425 369 N N 3.009 121.875 118.700 0.277 0.000 2.530 369 N HA 0.109 4.849 4.740 -0.001 0.000 0.277 369 N C 0.810 176.424 175.510 0.173 0.000 1.168 369 N CA -0.083 52.864 53.050 -0.171 0.000 0.979 369 N CB 0.807 38.838 38.487 -0.761 0.000 1.141 369 N HN 0.711 nan 8.380 nan 0.000 0.459 370 I N 1.546 122.106 120.570 -0.017 0.000 3.083 370 I HA 0.006 4.175 4.170 -0.001 0.000 0.273 370 I C -0.249 175.909 176.117 0.069 0.000 1.297 370 I CA 0.287 61.468 61.300 -0.199 0.000 1.452 370 I CB -0.076 37.638 38.000 -0.477 0.000 1.078 370 I HN 0.488 nan 8.210 nan 0.000 0.484 371 W N 0.317 121.561 121.300 -0.094 0.000 3.062 371 W HA 0.636 5.295 4.660 -0.001 0.000 0.336 371 W C -1.382 175.018 176.519 -0.199 0.000 1.224 371 W CA -0.859 56.343 57.345 -0.239 0.000 1.159 371 W CB 0.572 29.838 29.460 -0.323 0.000 1.454 371 W HN -0.246 nan 8.180 nan 0.000 0.569 372 E N 0.076 120.339 120.200 0.106 0.000 2.367 372 E HA 0.266 4.615 4.350 -0.001 0.000 0.273 372 E C -1.626 175.100 176.600 0.211 0.000 0.903 372 E CA -0.827 55.630 56.400 0.095 0.000 0.764 372 E CB 2.467 32.260 29.700 0.154 0.000 1.252 372 E HN 0.349 nan 8.360 nan 0.000 0.446 373 W N 1.093 122.600 121.300 0.346 0.000 2.251 373 W HA 0.314 4.973 4.660 -0.001 0.000 0.327 373 W C 0.959 177.583 176.519 0.175 0.000 1.361 373 W CA -0.066 57.450 57.345 0.284 0.000 1.234 373 W CB 0.685 30.328 29.460 0.306 0.000 1.212 373 W HN 0.643 nan 8.180 nan 0.000 0.557 374 G N 3.420 112.447 108.800 0.378 0.000 3.075 374 G HA2 0.362 4.321 3.960 -0.001 0.000 0.156 374 G HA3 0.362 4.321 3.960 -0.001 0.000 0.156 374 G C -0.104 174.957 174.900 0.267 0.000 1.403 374 G CA -0.883 44.365 45.100 0.247 0.000 1.033 374 G HN 0.375 nan 8.290 nan 0.000 0.589 375 M N 0.930 120.640 119.600 0.184 0.000 2.455 375 M HA 0.308 4.787 4.480 -0.001 0.000 0.331 375 M C -0.754 175.670 176.300 0.206 0.000 1.481 375 M CA -1.324 54.080 55.300 0.172 0.000 1.362 375 M CB -0.971 31.696 32.600 0.111 0.000 1.564 375 M HN 0.354 nan 8.290 nan 0.000 0.458 376 Y N 6.241 126.623 120.300 0.137 0.000 2.944 376 Y HA -0.036 4.513 4.550 -0.001 0.000 0.340 376 Y C -1.060 174.902 175.900 0.104 0.000 1.275 376 Y CA 0.259 58.443 58.100 0.141 0.000 1.590 376 Y CB -0.026 38.459 38.460 0.042 0.000 1.218 376 Y HN 0.634 nan 8.280 nan 0.000 0.576 377 P HA -0.293 nan 4.420 nan 0.000 0.227 377 P C -0.430 176.644 177.300 -0.377 0.000 1.141 377 P CA 1.817 64.605 63.100 -0.521 0.000 0.964 377 P CB 0.186 31.756 31.700 -0.217 0.000 0.784 378 E N -0.833 119.351 120.200 -0.026 0.000 2.272 378 E HA 0.381 4.731 4.350 -0.001 0.000 0.269 378 E C -0.377 176.223 176.600 -0.000 0.000 0.877 378 E CA -0.513 55.857 56.400 -0.051 0.000 0.755 378 E CB 2.048 31.747 29.700 -0.002 0.000 1.192 378 E HN 0.033 nan 8.360 nan 0.000 0.422 379 R N 2.528 122.944 120.500 -0.141 0.000 2.686 379 R HA 0.569 4.908 4.340 -0.001 0.000 0.286 379 R C -0.190 176.001 176.300 -0.183 0.000 0.969 379 R CA -0.831 55.153 56.100 -0.193 0.000 0.898 379 R CB 1.849 31.839 30.300 -0.515 0.000 1.183 379 R HN 0.396 nan 8.270 nan 0.000 0.456 380 I N 4.349 124.839 120.570 -0.133 0.000 2.304 380 I HA 0.240 4.409 4.170 -0.001 0.000 0.291 380 I C -0.305 175.591 176.117 -0.369 0.000 1.018 380 I CA -0.380 60.795 61.300 -0.209 0.000 1.260 380 I CB 0.768 38.687 38.000 -0.136 0.000 1.390 380 I HN 0.262 nan 8.210 nan 0.000 0.475 381 L N 6.034 126.987 121.223 -0.449 0.000 2.317 381 L HA 0.406 4.745 4.340 -0.001 0.000 0.281 381 L C 0.343 176.872 176.870 -0.568 0.000 1.024 381 L CA -0.813 53.695 54.840 -0.553 0.000 0.810 381 L CB 1.065 42.634 42.059 -0.816 0.000 1.240 381 L HN 0.554 nan 8.230 nan 0.000 0.427 382 H N 3.014 121.960 119.070 -0.207 0.000 2.524 382 H HA 0.234 4.789 4.556 -0.001 0.000 0.299 382 H C -1.027 174.138 175.328 -0.272 0.000 1.074 382 H CA 0.013 55.901 56.048 -0.266 0.000 1.115 382 H CB -0.184 29.338 29.762 -0.399 0.000 1.522 382 H HN 0.599 nan 8.280 nan 0.000 0.543 383 Y N -2.039 118.135 120.300 -0.210 0.000 2.624 383 Y HA 0.598 5.147 4.550 -0.001 0.000 0.334 383 Y C -1.317 174.489 175.900 -0.155 0.000 1.155 383 Y CA -1.328 56.649 58.100 -0.205 0.000 1.046 383 Y CB 1.278 39.590 38.460 -0.247 0.000 1.316 383 Y HN -0.154 nan 8.280 nan 0.000 0.457 384 E N 2.212 122.419 120.200 0.012 0.000 2.277 384 E HA 0.688 5.037 4.350 -0.001 0.000 0.266 384 E C -1.415 175.252 176.600 0.112 0.000 0.901 384 E CA -1.090 55.297 56.400 -0.020 0.000 0.782 384 E CB 3.084 32.754 29.700 -0.049 0.000 1.228 384 E HN 0.622 nan 8.360 nan 0.000 0.424 385 I N 1.431 122.036 120.570 0.059 0.000 2.406 385 I HA 0.225 4.394 4.170 -0.001 0.000 0.290 385 I C -0.797 175.320 176.117 -0.000 0.000 0.999 385 I CA -0.775 60.517 61.300 -0.013 0.000 1.124 385 I CB 1.557 39.500 38.000 -0.095 0.000 1.289 385 I HN 0.358 nan 8.210 nan 0.000 0.441 386 D N 7.494 127.902 120.400 0.014 0.000 2.373 386 D HA 0.307 4.946 4.640 -0.001 0.000 0.227 386 D C 0.300 176.630 176.300 0.049 0.000 1.091 386 D CA -0.428 53.587 54.000 0.026 0.000 0.840 386 D CB 1.271 42.086 40.800 0.026 0.000 1.060 386 D HN 0.571 nan 8.370 nan 0.000 0.502 387 I N 1.213 121.801 120.570 0.030 0.000 3.889 387 I HA 0.148 4.318 4.170 -0.001 0.000 0.332 387 I C 1.340 177.424 176.117 -0.054 0.000 1.493 387 I CA -0.436 60.864 61.300 0.001 0.000 1.158 387 I CB 0.108 38.104 38.000 -0.007 0.000 1.117 387 I HN 0.139 nan 8.210 nan 0.000 0.411 388 S N 1.636 117.322 115.700 -0.024 0.000 2.419 388 S HA -0.114 4.355 4.470 -0.001 0.000 0.235 388 S C 1.997 176.571 174.600 -0.044 0.000 1.019 388 S CA 1.000 59.183 58.200 -0.028 0.000 0.982 388 S CB -0.341 62.854 63.200 -0.008 0.000 0.789 388 S HN 0.619 nan 8.310 nan 0.000 0.490 389 A N 0.787 123.579 122.820 -0.047 0.000 2.167 389 A HA 0.689 5.009 4.320 -0.001 0.000 0.214 389 A C 1.289 178.807 177.584 -0.109 0.000 1.151 389 A CA 0.643 52.651 52.037 -0.049 0.000 0.735 389 A CB -0.343 18.648 19.000 -0.015 0.000 0.802 389 A HN 1.249 nan 8.150 nan 0.000 0.467 390 A N -0.710 121.974 122.820 -0.226 0.000 3.277 390 A HA 0.578 4.897 4.320 -0.001 0.000 0.281 390 A C -2.244 174.939 177.584 -0.668 0.000 1.179 390 A CA -0.537 51.201 52.037 -0.499 0.000 0.879 390 A CB 0.257 18.843 19.000 -0.690 0.000 1.374 390 A HN 0.047 nan 8.150 nan 0.000 0.590 391 P HA -0.126 nan 4.420 nan 0.000 0.228 391 P C 1.454 178.681 177.300 -0.122 0.000 1.151 391 P CA 0.811 63.806 63.100 -0.176 0.000 0.770 391 P CB -0.136 31.532 31.700 -0.054 0.000 0.786 392 W N -1.158 120.125 121.300 -0.030 0.000 2.611 392 W HA 0.031 4.690 4.660 -0.001 0.000 0.251 392 W C 0.794 177.236 176.519 -0.129 0.000 1.265 392 W CA 0.048 57.347 57.345 -0.076 0.000 1.295 392 W CB -1.517 27.925 29.460 -0.029 0.000 1.129 392 W HN -0.063 nan 8.180 nan 0.000 0.630 393 L N 2.189 123.209 121.223 -0.338 0.000 2.450 393 L HA -0.206 4.133 4.340 -0.001 0.000 0.224 393 L C 1.950 179.107 176.870 0.477 0.000 1.149 393 L CA 1.750 56.596 54.840 0.009 0.000 0.816 393 L CB -0.629 41.314 42.059 -0.194 0.000 0.932 393 L HN -0.038 nan 8.230 nan 0.000 0.449 394 D N -2.996 117.596 120.400 0.320 0.000 2.339 394 D HA -0.206 4.434 4.640 -0.001 0.000 0.217 394 D C 0.861 177.463 176.300 0.504 0.000 1.050 394 D CA -0.273 53.946 54.000 0.366 0.000 0.856 394 D CB -0.267 40.648 40.800 0.191 0.000 0.922 394 D HN 0.224 nan 8.370 nan 0.000 0.518 395 W N 0.855 122.278 121.300 0.204 0.000 4.551 395 W HA -0.243 4.416 4.660 -0.001 0.000 0.343 395 W C 1.238 177.816 176.519 0.098 0.000 1.269 395 W CA 0.540 57.988 57.345 0.171 0.000 0.799 395 W CB -1.761 27.781 29.460 0.136 0.000 2.352 395 W HN 0.442 nan 8.180 nan 0.000 1.462 396 G N 0.695 109.619 108.800 0.207 0.000 2.296 396 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.282 396 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.282 396 G C 0.146 175.116 174.900 0.116 0.000 1.014 396 G CA 1.105 46.282 45.100 0.129 0.000 0.812 396 G HN 0.311 nan 8.290 nan 0.000 0.508 397 T N -0.311 114.331 114.554 0.148 0.000 2.879 397 T HA 0.465 4.814 4.350 -0.001 0.000 0.290 397 T C -0.370 174.380 174.700 0.083 0.000 0.993 397 T CA -0.556 61.606 62.100 0.104 0.000 0.975 397 T CB 2.157 71.094 68.868 0.115 0.000 0.981 397 T HN 0.354 nan 8.240 nan 0.000 0.439 398 E N 3.461 123.690 120.200 0.048 0.000 2.194 398 E HA 0.204 4.553 4.350 -0.001 0.000 0.284 398 E C -0.245 176.368 176.600 0.022 0.000 1.035 398 E CA -0.770 55.648 56.400 0.030 0.000 0.836 398 E CB 0.456 30.166 29.700 0.017 0.000 1.070 398 E HN 0.249 nan 8.360 nan 0.000 0.401 399 K N 3.130 123.539 120.400 0.014 0.000 2.098 399 K HA 0.123 4.442 4.320 -0.001 0.000 0.257 399 K C -0.183 176.417 176.600 -0.001 0.000 0.999 399 K CA -0.608 55.685 56.287 0.011 0.000 0.924 399 K CB 0.940 33.439 32.500 -0.002 0.000 1.028 399 K HN 0.517 nan 8.250 nan 0.000 0.466 400 Q N 1.697 121.508 119.800 0.017 0.000 2.293 400 Q HA 0.166 4.505 4.340 -0.001 0.000 0.263 400 Q C -0.481 175.512 176.000 -0.011 0.000 1.002 400 Q CA -0.027 55.785 55.803 0.015 0.000 0.910 400 Q CB 0.320 29.088 28.738 0.050 0.000 1.185 400 Q HN 0.426 nan 8.270 nan 0.000 0.401 401 L N 6.856 128.045 121.223 -0.057 0.000 2.529 401 L HA 0.011 4.351 4.340 -0.001 0.000 0.287 401 L C -1.180 175.620 176.870 -0.117 0.000 1.241 401 L CA -0.817 53.949 54.840 -0.125 0.000 0.857 401 L CB 0.286 42.256 42.059 -0.148 0.000 1.113 401 L HN 0.775 nan 8.230 nan 0.000 0.504 402 P HA -0.010 nan 4.420 nan 0.000 0.245 402 P C -0.077 176.978 177.300 -0.409 0.000 1.212 402 P CA 0.444 63.349 63.100 -0.325 0.000 0.774 402 P CB 0.273 31.788 31.700 -0.308 0.000 0.999 403 E N 0.569 120.605 120.200 -0.274 0.000 2.373 403 E HA 0.363 4.712 4.350 -0.001 0.000 0.267 403 E C -0.040 176.446 176.600 -0.190 0.000 1.032 403 E CA -0.026 56.225 56.400 -0.249 0.000 0.889 403 E CB 0.646 30.291 29.700 -0.092 0.000 0.984 403 E HN 0.172 nan 8.360 nan 0.000 0.425 404 I N 2.600 123.059 120.570 -0.185 0.000 2.571 404 I HA 0.213 4.382 4.170 -0.001 0.000 0.289 404 I C -0.763 175.324 176.117 -0.051 0.000 1.115 404 I CA -0.944 60.284 61.300 -0.121 0.000 1.045 404 I CB 1.868 39.770 38.000 -0.164 0.000 1.238 404 I HN 0.331 nan 8.210 nan 0.000 0.424 405 N N 6.620 125.324 118.700 0.007 0.000 2.456 405 N HA 0.498 5.238 4.740 -0.001 0.000 0.288 405 N C -2.464 173.095 175.510 0.082 0.000 1.059 405 N CA -1.450 51.650 53.050 0.083 0.000 0.946 405 N CB 1.168 39.736 38.487 0.136 0.000 1.150 405 N HN 0.328 nan 8.380 nan 0.000 0.479 406 P HA 0.203 nan 4.420 nan 0.000 0.278 406 P C -0.589 176.797 177.300 0.144 0.000 1.238 406 P CA -0.235 62.984 63.100 0.198 0.000 0.794 406 P CB 1.300 33.130 31.700 0.216 0.000 0.955 407 K N 1.414 121.941 120.400 0.211 0.000 2.168 407 K HA 0.191 4.510 4.320 -0.001 0.000 0.258 407 K C 1.636 178.286 176.600 0.085 0.000 1.010 407 K CA -0.622 55.751 56.287 0.144 0.000 0.929 407 K CB 0.448 33.109 32.500 0.268 0.000 0.998 407 K HN 0.340 nan 8.250 nan 0.000 0.479 408 L N 0.809 121.988 121.223 -0.074 0.000 2.043 408 L HA -0.235 4.104 4.340 -0.001 0.000 0.212 408 L C 1.275 178.215 176.870 0.116 0.000 1.075 408 L CA 1.799 56.535 54.840 -0.174 0.000 0.752 408 L CB -0.417 41.447 42.059 -0.325 0.000 0.891 408 L HN 1.040 nan 8.230 nan 0.000 0.432 409 G N -2.584 106.328 108.800 0.187 0.000 2.356 409 G HA2 0.247 4.206 3.960 -0.001 0.000 0.266 409 G HA3 0.247 4.206 3.960 -0.001 0.000 0.266 409 G C -2.370 172.728 174.900 0.331 0.000 1.312 409 G CA -0.372 44.842 45.100 0.189 0.000 0.922 409 G HN 0.211 nan 8.290 nan 0.000 0.480 410 W N -3.581 117.733 121.300 0.023 0.000 3.064 410 W HA 0.607 5.266 4.660 -0.001 0.000 0.328 410 W C 0.155 176.574 176.519 -0.166 0.000 1.210 410 W CA -0.844 56.380 57.345 -0.203 0.000 1.178 410 W CB 0.219 29.580 29.460 -0.163 0.000 1.416 410 W HN 1.131 nan 8.180 nan 0.000 0.568 411 M N 1.139 120.628 119.600 -0.185 0.000 2.302 411 M HA -0.259 4.221 4.480 -0.001 0.000 0.200 411 M C -0.385 175.875 176.300 -0.067 0.000 0.366 411 M CA 0.923 56.074 55.300 -0.250 0.000 0.440 411 M CB -1.464 30.819 32.600 -0.529 0.000 1.475 411 M HN 0.458 nan 8.290 nan 0.000 0.905 412 I N 0.256 120.810 120.570 -0.027 0.000 2.268 412 I HA 0.126 4.295 4.170 -0.001 0.000 0.298 412 I C 1.567 177.768 176.117 0.141 0.000 1.185 412 I CA 0.316 61.667 61.300 0.085 0.000 1.548 412 I CB 0.047 38.044 38.000 -0.004 0.000 1.492 412 I HN 0.495 nan 8.210 nan 0.000 0.711 413 G N 2.816 111.773 108.800 0.262 0.000 2.985 413 G HA2 -0.029 3.931 3.960 -0.001 0.000 0.209 413 G HA3 -0.029 3.931 3.960 -0.001 0.000 0.209 413 G C 0.022 175.157 174.900 0.391 0.000 1.165 413 G CA 0.194 45.491 45.100 0.327 0.000 0.776 413 G HN 0.515 nan 8.290 nan 0.000 0.541 414 D N -0.959 119.605 120.400 0.273 0.000 2.977 414 D HA 0.507 5.146 4.640 -0.001 0.000 0.220 414 D C -1.418 174.968 176.300 0.142 0.000 1.267 414 D CA -0.533 53.572 54.000 0.175 0.000 0.884 414 D CB 1.988 42.888 40.800 0.167 0.000 1.667 414 D HN -0.029 nan 8.370 nan 0.000 0.536 415 I N 1.744 122.354 120.570 0.067 0.000 2.722 415 I HA 0.486 4.655 4.170 -0.001 0.000 0.295 415 I C -1.501 174.660 176.117 0.073 0.000 1.161 415 I CA -0.451 60.924 61.300 0.125 0.000 1.032 415 I CB 1.649 39.712 38.000 0.105 0.000 1.244 415 I HN 0.214 nan 8.210 nan 0.000 0.421 416 E N 7.383 127.661 120.200 0.131 0.000 2.272 416 E HA 0.491 4.841 4.350 -0.001 0.000 0.269 416 E C -1.226 175.375 176.600 0.002 0.000 0.877 416 E CA -0.540 55.917 56.400 0.095 0.000 0.755 416 E CB 2.999 32.883 29.700 0.306 0.000 1.192 416 E HN 0.502 nan 8.360 nan 0.000 0.422 417 I N 1.704 122.197 120.570 -0.128 0.000 2.336 417 I HA 0.083 4.252 4.170 -0.001 0.000 0.292 417 I C 0.425 176.244 176.117 -0.496 0.000 0.991 417 I CA -0.789 60.383 61.300 -0.214 0.000 1.227 417 I CB 1.066 38.976 38.000 -0.150 0.000 1.366 417 I HN 0.285 nan 8.210 nan 0.000 0.466 418 D N 9.544 129.561 120.400 -0.639 0.000 2.520 418 D HA -0.011 4.628 4.640 -0.001 0.000 0.243 418 D C -1.481 174.524 176.300 -0.493 0.000 1.160 418 D CA -1.375 52.085 54.000 -0.900 0.000 0.877 418 D CB 1.237 41.785 40.800 -0.420 0.000 1.150 418 D HN 0.270 nan 8.370 nan 0.000 0.494 419 P HA -0.050 nan 4.420 nan 0.000 0.234 419 P C 0.467 177.375 177.300 -0.653 0.000 1.167 419 P CA 0.641 63.443 63.100 -0.497 0.000 0.763 419 P CB -0.019 31.370 31.700 -0.517 0.000 0.835 420 F N -1.224 118.666 119.950 -0.099 0.000 2.706 420 F HA 0.334 4.861 4.527 -0.001 0.000 0.313 420 F C 0.614 176.389 175.800 -0.042 0.000 1.096 420 F CA -0.258 57.719 58.000 -0.039 0.000 1.219 420 F CB 0.273 39.277 39.000 0.007 0.000 1.051 420 F HN -0.145 nan 8.300 nan 0.000 0.568 421 N N -0.618 118.102 118.700 0.033 0.000 2.699 421 N HA 0.107 4.847 4.740 -0.001 0.000 0.271 421 N C 0.133 175.614 175.510 -0.048 0.000 1.216 421 N CA 0.079 53.137 53.050 0.014 0.000 0.844 421 N CB 1.157 39.672 38.487 0.046 0.000 1.462 421 N HN -0.207 nan 8.380 nan 0.000 0.555 422 S N 1.120 116.793 115.700 -0.045 0.000 2.442 422 S HA -0.072 4.398 4.470 -0.001 0.000 0.236 422 S C 0.827 175.413 174.600 -0.024 0.000 1.007 422 S CA 0.719 58.886 58.200 -0.055 0.000 0.965 422 S CB 0.114 63.283 63.200 -0.051 0.000 0.773 422 S HN 0.572 nan 8.310 nan 0.000 0.504 423 D N 0.565 120.964 120.400 -0.001 0.000 2.355 423 D HA 0.028 4.668 4.640 -0.001 0.000 0.218 423 D C 0.844 177.164 176.300 0.032 0.000 1.004 423 D CA 0.310 54.326 54.000 0.026 0.000 0.880 423 D CB 0.160 40.980 40.800 0.033 0.000 0.911 423 D HN 0.268 nan 8.370 nan 0.000 0.528 424 R N 1.394 121.899 120.500 0.008 0.000 2.295 424 R HA 0.356 4.696 4.340 -0.001 0.000 0.324 424 R C -0.625 175.674 176.300 -0.002 0.000 0.968 424 R CA -0.346 55.762 56.100 0.013 0.000 0.837 424 R CB 0.978 31.286 30.300 0.013 0.000 1.133 424 R HN -0.027 nan 8.270 nan 0.000 0.450 425 M N 5.581 125.214 119.600 0.055 0.000 2.535 425 M HA 0.464 4.944 4.480 -0.001 0.000 0.314 425 M C -1.752 174.628 176.300 0.133 0.000 1.153 425 M CA -0.612 54.743 55.300 0.093 0.000 0.924 425 M CB 2.326 35.013 32.600 0.144 0.000 1.710 425 M HN 0.615 nan 8.290 nan 0.000 0.451 426 M N 4.124 123.833 119.600 0.181 0.000 2.457 426 M HA 0.526 5.005 4.480 -0.001 0.000 0.300 426 M C -1.792 174.642 176.300 0.224 0.000 1.141 426 M CA -0.710 54.682 55.300 0.152 0.000 0.901 426 M CB 2.665 35.362 32.600 0.161 0.000 1.687 426 M HN 0.765 nan 8.290 nan 0.000 0.449 427 Y N 0.215 120.576 120.300 0.102 0.000 2.588 427 Y HA 0.826 5.376 4.550 -0.001 0.000 0.343 427 Y C -1.039 174.895 175.900 0.057 0.000 1.065 427 Y CA -1.524 56.623 58.100 0.080 0.000 1.038 427 Y CB 0.574 39.077 38.460 0.071 0.000 1.297 427 Y HN 0.508 nan 8.280 nan 0.000 0.467 428 V N 0.166 120.211 119.914 0.219 0.000 2.716 428 V HA 0.960 5.079 4.120 -0.001 0.000 0.304 428 V C -0.118 176.081 176.094 0.174 0.000 1.053 428 V CA 0.295 62.655 62.300 0.101 0.000 0.984 428 V CB 1.073 32.949 31.823 0.088 0.000 1.021 428 V HN 1.337 nan 8.190 nan 0.000 0.467 429 T N -0.276 114.294 114.554 0.027 0.000 2.804 429 T HA 0.611 4.960 4.350 -0.001 0.000 0.290 429 T C 1.000 175.630 174.700 -0.117 0.000 1.099 429 T CA -0.072 61.932 62.100 -0.160 0.000 1.011 429 T CB 1.179 69.776 68.868 -0.451 0.000 1.291 429 T HN 1.278 nan 8.240 nan 0.000 0.523 430 G N -0.624 107.873 108.800 -0.504 0.000 2.559 430 G HA2 0.298 4.257 3.960 -0.001 0.000 0.216 430 G HA3 0.298 4.257 3.960 -0.001 0.000 0.216 430 G C 1.061 176.079 174.900 0.198 0.000 1.126 430 G CA 0.687 45.748 45.100 -0.065 0.000 0.778 430 G HN 1.218 nan 8.290 nan 0.000 0.543 431 A N -1.937 120.886 122.820 0.006 0.000 2.242 431 A HA 0.585 4.904 4.320 -0.001 0.000 0.205 431 A C 0.799 178.491 177.584 0.180 0.000 1.353 431 A CA 1.275 53.496 52.037 0.306 0.000 1.005 431 A CB 0.783 20.205 19.000 0.704 0.000 1.127 431 A HN 0.324 nan 8.150 nan 0.000 0.498 432 T N -1.318 113.177 114.554 -0.098 0.000 2.661 432 T HA 0.555 4.905 4.350 -0.001 0.000 0.305 432 T C -1.995 172.507 174.700 -0.330 0.000 1.441 432 T CA -0.343 61.616 62.100 -0.236 0.000 0.999 432 T CB 0.783 69.376 68.868 -0.457 0.000 1.650 432 T HN 0.159 nan 8.240 nan 0.000 0.489 433 I N 2.265 122.613 120.570 -0.370 0.000 2.406 433 I HA 0.471 4.640 4.170 -0.001 0.000 0.290 433 I C -1.158 174.706 176.117 -0.422 0.000 0.999 433 I CA -0.743 60.356 61.300 -0.335 0.000 1.124 433 I CB 1.405 39.285 38.000 -0.201 0.000 1.289 433 I HN 0.546 nan 8.210 nan 0.000 0.441 434 Y N 3.521 123.528 120.300 -0.488 0.000 2.496 434 Y HA 0.836 5.385 4.550 -0.001 0.000 0.331 434 Y C 0.707 176.338 175.900 -0.449 0.000 1.140 434 Y CA -0.776 57.001 58.100 -0.538 0.000 1.166 434 Y CB 2.166 40.094 38.460 -0.887 0.000 1.249 434 Y HN 0.589 nan 8.280 nan 0.000 0.479 435 G N -0.638 108.154 108.800 -0.013 0.000 2.576 435 G HA2 0.539 4.499 3.960 -0.001 0.000 0.290 435 G HA3 0.539 4.499 3.960 -0.001 0.000 0.290 435 G C -1.692 173.245 174.900 0.061 0.000 1.442 435 G CA -0.532 44.582 45.100 0.023 0.000 0.792 435 G HN 1.035 nan 8.290 nan 0.000 0.491 436 C N -1.468 117.876 119.300 0.074 0.000 3.236 436 C HA 0.874 5.334 4.460 -0.001 0.000 0.312 436 C C -0.388 174.642 174.990 0.067 0.000 1.374 436 C CA -0.742 58.319 59.018 0.072 0.000 1.455 436 C CB 1.959 29.747 27.740 0.080 0.000 1.834 436 C HN 0.683 nan 8.230 nan 0.000 0.460 437 D N 0.594 121.032 120.400 0.064 0.000 2.503 437 D HA 0.092 4.732 4.640 -0.001 0.000 0.218 437 D C 0.214 176.548 176.300 0.056 0.000 1.183 437 D CA 0.382 54.418 54.000 0.059 0.000 0.827 437 D CB 0.219 41.056 40.800 0.062 0.000 1.034 437 D HN 0.805 nan 8.370 nan 0.000 0.510 438 N N 1.327 120.064 118.700 0.062 0.000 2.497 438 N HA -0.010 4.729 4.740 -0.001 0.000 0.284 438 N C 1.219 176.781 175.510 0.088 0.000 1.459 438 N CA -0.338 52.751 53.050 0.065 0.000 0.899 438 N CB 0.249 38.770 38.487 0.057 0.000 1.316 438 N HN -0.035 nan 8.380 nan 0.000 0.500 439 L N 1.877 123.158 121.223 0.097 0.000 2.013 439 L HA -0.138 4.202 4.340 -0.001 0.000 0.212 439 L C 2.258 179.230 176.870 0.171 0.000 1.073 439 L CA 2.619 57.548 54.840 0.147 0.000 0.753 439 L CB -1.238 40.896 42.059 0.125 0.000 0.890 439 L HN 0.485 nan 8.230 nan 0.000 0.432 440 T N -4.632 109.981 114.554 0.098 0.000 3.098 440 T HA -0.128 4.221 4.350 -0.001 0.000 0.266 440 T C 1.506 176.263 174.700 0.094 0.000 1.145 440 T CA 0.984 63.126 62.100 0.070 0.000 1.092 440 T CB -0.707 68.174 68.868 0.021 0.000 0.908 440 T HN 0.323 nan 8.240 nan 0.000 0.526 441 D N 0.337 120.807 120.400 0.116 0.000 2.182 441 D HA -0.081 4.558 4.640 -0.001 0.000 0.201 441 D C 1.327 177.736 176.300 0.182 0.000 0.986 441 D CA 0.681 54.750 54.000 0.115 0.000 0.847 441 D CB -0.461 40.395 40.800 0.094 0.000 0.942 441 D HN 0.506 nan 8.370 nan 0.000 0.467 442 W N 2.173 123.470 121.300 -0.005 0.000 2.338 442 W HA -0.149 4.511 4.660 -0.001 0.000 0.304 442 W C 1.138 177.626 176.519 -0.053 0.000 1.212 442 W CA 1.151 58.482 57.345 -0.025 0.000 1.264 442 W CB -0.493 28.957 29.460 -0.015 0.000 1.142 442 W HN -0.038 nan 8.180 nan 0.000 0.512 443 D N -0.252 120.203 120.400 0.092 0.000 2.310 443 D HA -0.128 4.512 4.640 -0.001 0.000 0.212 443 D C 1.769 178.064 176.300 -0.008 0.000 0.965 443 D CA 1.177 55.140 54.000 -0.060 0.000 0.879 443 D CB -0.316 40.427 40.800 -0.095 0.000 0.921 443 D HN 0.432 nan 8.370 nan 0.000 0.510 444 R N -0.610 119.916 120.500 0.042 0.000 2.586 444 R HA 0.390 4.730 4.340 -0.001 0.000 0.336 444 R C 0.914 177.246 176.300 0.053 0.000 1.060 444 R CA 0.285 56.406 56.100 0.034 0.000 1.079 444 R CB -0.082 30.234 30.300 0.027 0.000 1.317 444 R HN -0.056 nan 8.270 nan 0.000 0.568 445 G N 0.036 108.885 108.800 0.083 0.000 2.136 445 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.242 445 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.242 445 G C 0.236 175.190 174.900 0.089 0.000 0.989 445 G CA -0.095 45.056 45.100 0.084 0.000 0.682 445 G HN 0.701 nan 8.290 nan 0.000 0.522 446 G N -0.771 108.087 108.800 0.097 0.000 2.521 446 G HA2 0.621 4.581 3.960 -0.001 0.000 0.323 446 G HA3 0.621 4.581 3.960 -0.001 0.000 0.323 446 G C -0.138 174.802 174.900 0.067 0.000 1.211 446 G CA -0.784 44.360 45.100 0.073 0.000 0.979 446 G HN 0.339 nan 8.290 nan 0.000 0.490 447 K N -0.113 120.304 120.400 0.029 0.000 2.172 447 K HA 0.366 4.685 4.320 -0.001 0.000 0.276 447 K C -0.316 176.281 176.600 -0.005 0.000 1.013 447 K CA -0.515 55.764 56.287 -0.014 0.000 0.913 447 K CB 2.098 34.573 32.500 -0.042 0.000 1.055 447 K HN 0.162 nan 8.250 nan 0.000 0.461 448 V N 4.192 124.080 119.914 -0.044 0.000 2.529 448 V HA -0.014 4.106 4.120 -0.001 0.000 0.292 448 V C 0.382 176.492 176.094 0.025 0.000 1.028 448 V CA 0.029 62.328 62.300 -0.000 0.000 1.074 448 V CB 0.168 31.958 31.823 -0.056 0.000 0.958 448 V HN 0.602 nan 8.190 nan 0.000 0.481 449 K N 6.492 126.913 120.400 0.035 0.000 2.257 449 K HA 0.466 4.785 4.320 -0.001 0.000 0.270 449 K C -0.575 176.046 176.600 0.036 0.000 1.098 449 K CA -0.138 56.169 56.287 0.033 0.000 0.943 449 K CB 0.875 33.393 32.500 0.030 0.000 1.316 449 K HN 0.528 nan 8.250 nan 0.000 0.447 450 I N 2.941 123.525 120.570 0.024 0.000 2.428 450 I HA 0.089 4.258 4.170 -0.001 0.000 0.289 450 I C 0.638 176.761 176.117 0.010 0.000 1.019 450 I CA -0.186 61.111 61.300 -0.006 0.000 1.351 450 I CB 0.859 38.793 38.000 -0.110 0.000 1.412 450 I HN 0.587 nan 8.210 nan 0.000 0.513 451 E N 4.495 124.737 120.200 0.070 0.000 2.429 451 E HA 0.466 4.815 4.350 -0.001 0.000 0.276 451 E C -1.391 175.344 176.600 0.224 0.000 0.953 451 E CA -1.023 55.451 56.400 0.124 0.000 0.787 451 E CB 1.860 31.610 29.700 0.085 0.000 1.307 451 E HN 0.186 nan 8.360 nan 0.000 0.458 452 V N 2.448 122.473 119.914 0.185 0.000 2.557 452 V HA -0.005 4.115 4.120 -0.001 0.000 0.301 452 V C 0.542 176.678 176.094 0.069 0.000 1.026 452 V CA 0.332 62.655 62.300 0.038 0.000 1.137 452 V CB 0.152 31.935 31.823 -0.067 0.000 0.917 452 V HN 0.639 nan 8.190 nan 0.000 0.484 453 K N 3.935 124.374 120.400 0.065 0.000 2.618 453 K HA 0.383 4.703 4.320 -0.001 0.000 0.207 453 K C 0.778 177.610 176.600 0.387 0.000 1.058 453 K CA 0.218 56.634 56.287 0.215 0.000 1.086 453 K CB 1.344 33.938 32.500 0.155 0.000 0.827 453 K HN 0.721 nan 8.250 nan 0.000 0.481 454 A N 0.750 123.691 122.820 0.201 0.000 2.500 454 A HA 0.137 4.456 4.320 -0.001 0.000 0.267 454 A C 0.379 178.088 177.584 0.208 0.000 1.290 454 A CA -0.157 51.974 52.037 0.156 0.000 0.928 454 A CB -0.014 18.932 19.000 -0.091 0.000 1.066 454 A HN 0.012 nan 8.150 nan 0.000 0.516 455 T N 0.392 115.105 114.554 0.264 0.000 2.867 455 T HA 0.408 4.758 4.350 -0.001 0.000 0.297 455 T C 1.483 176.312 174.700 0.215 0.000 0.989 455 T CA 1.429 63.633 62.100 0.173 0.000 1.159 455 T CB 0.715 69.646 68.868 0.104 0.000 0.928 455 T HN 1.346 nan 8.240 nan 0.000 0.538 456 G N 3.258 112.150 108.800 0.153 0.000 2.254 456 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.225 456 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.225 456 G C 0.204 175.196 174.900 0.155 0.000 1.003 456 G CA -0.480 44.733 45.100 0.188 0.000 0.622 456 G HN 0.710 nan 8.290 nan 0.000 0.507 457 I N 1.836 122.374 120.570 -0.054 0.000 2.441 457 I HA 0.409 4.578 4.170 -0.001 0.000 0.287 457 I C -0.275 175.828 176.117 -0.022 0.000 1.049 457 I CA -0.014 61.068 61.300 -0.363 0.000 1.381 457 I CB 1.046 38.639 38.000 -0.679 0.000 1.409 457 I HN -0.020 nan 8.210 nan 0.000 0.523 458 E N 6.744 127.023 120.200 0.132 0.000 2.316 458 E HA 0.174 4.524 4.350 -0.001 0.000 0.254 458 E C -0.359 176.349 176.600 0.181 0.000 0.902 458 E CA -0.116 56.371 56.400 0.145 0.000 0.801 458 E CB 1.869 31.660 29.700 0.153 0.000 1.270 458 E HN 0.596 nan 8.360 nan 0.000 0.414 459 E N 1.300 121.579 120.200 0.132 0.000 2.583 459 E HA 0.123 4.473 4.350 -0.001 0.000 0.213 459 E C -0.267 176.400 176.600 0.112 0.000 0.989 459 E CA -0.168 56.318 56.400 0.144 0.000 0.991 459 E CB 0.576 30.359 29.700 0.139 0.000 1.040 459 E HN 0.399 nan 8.360 nan 0.000 0.481 460 C N 1.534 120.883 119.300 0.081 0.000 2.679 460 C HA 0.339 4.799 4.460 -0.001 0.000 0.417 460 C C 0.842 175.860 174.990 0.048 0.000 1.302 460 C CA -0.247 58.806 59.018 0.059 0.000 1.973 460 C CB 0.129 27.888 27.740 0.033 0.000 2.715 460 C HN 0.422 nan 8.230 nan 0.000 0.628 461 A N 3.610 126.457 122.820 0.044 0.000 2.252 461 A HA 0.568 4.888 4.320 -0.001 0.000 0.309 461 A C -0.361 177.218 177.584 -0.009 0.000 1.285 461 A CA -0.215 51.833 52.037 0.019 0.000 0.900 461 A CB 0.212 19.233 19.000 0.036 0.000 1.157 461 A HN 0.742 nan 8.150 nan 0.000 0.536 462 V N 4.759 124.657 119.914 -0.028 0.000 2.394 462 V HA 0.225 4.345 4.120 -0.001 0.000 0.282 462 V C 0.896 176.962 176.094 -0.047 0.000 1.031 462 V CA -0.120 62.161 62.300 -0.032 0.000 0.881 462 V CB 1.190 32.995 31.823 -0.030 0.000 0.982 462 V HN 0.926 nan 8.190 nan 0.000 0.451 463 L N 1.879 123.075 121.223 -0.045 0.000 2.425 463 L HA 0.456 4.795 4.340 -0.001 0.000 0.215 463 L C 0.294 177.141 176.870 -0.038 0.000 1.065 463 L CA 0.578 55.387 54.840 -0.051 0.000 0.842 463 L CB 0.358 42.379 42.059 -0.062 0.000 1.033 463 L HN 0.606 nan 8.230 nan 0.000 0.474 464 D N -0.827 119.558 120.400 -0.026 0.000 2.623 464 D HA 0.613 5.252 4.640 -0.001 0.000 0.241 464 D C -1.537 174.768 176.300 0.009 0.000 1.241 464 D CA -0.236 53.761 54.000 -0.005 0.000 0.788 464 D CB 2.318 43.115 40.800 -0.004 0.000 1.413 464 D HN -0.203 nan 8.370 nan 0.000 0.429 465 L N 0.951 122.189 121.223 0.024 0.000 2.482 465 L HA 0.675 5.015 4.340 -0.001 0.000 0.263 465 L C -0.828 176.074 176.870 0.052 0.000 0.957 465 L CA -1.133 53.717 54.840 0.016 0.000 0.836 465 L CB 2.173 44.220 42.059 -0.019 0.000 1.324 465 L HN 0.317 nan 8.230 nan 0.000 0.406 466 V N -1.022 118.922 119.914 0.051 0.000 2.789 466 V HA 0.707 4.826 4.120 -0.001 0.000 0.311 466 V C -0.538 175.533 176.094 -0.039 0.000 1.073 466 V CA -0.548 61.819 62.300 0.112 0.000 0.921 466 V CB 1.917 33.922 31.823 0.303 0.000 1.009 466 V HN 0.729 nan 8.190 nan 0.000 0.426 467 S N 5.553 121.236 115.700 -0.028 0.000 2.516 467 S HA 0.601 5.070 4.470 -0.001 0.000 0.268 467 S C -2.224 172.267 174.600 -0.181 0.000 1.251 467 S CA -1.256 56.870 58.200 -0.123 0.000 1.153 467 S CB 0.728 63.920 63.200 -0.013 0.000 1.009 467 S HN 0.873 nan 8.310 nan 0.000 0.479 468 P HA 0.278 nan 4.420 nan 0.000 0.274 468 P C -2.246 174.877 177.300 -0.296 0.000 1.237 468 P CA -1.397 61.272 63.100 -0.718 0.000 0.793 468 P CB 0.409 31.675 31.700 -0.723 0.000 0.977 469 P HA 0.010 nan 4.420 nan 0.000 0.233 469 P C -0.016 177.258 177.300 -0.043 0.000 1.167 469 P CA 1.253 64.325 63.100 -0.048 0.000 0.770 469 P CB 0.576 32.291 31.700 0.025 0.000 0.837 470 E N -1.269 118.885 120.200 -0.076 0.000 2.367 470 E HA 0.527 4.876 4.350 -0.001 0.000 0.273 470 E C 0.068 176.626 176.600 -0.070 0.000 0.903 470 E CA -0.731 55.640 56.400 -0.047 0.000 0.764 470 E CB 2.139 31.827 29.700 -0.020 0.000 1.252 470 E HN 0.036 nan 8.360 nan 0.000 0.446 471 G N 0.860 109.633 108.800 -0.046 0.000 2.482 471 G HA2 0.016 3.975 3.960 -0.001 0.000 0.214 471 G HA3 0.016 3.975 3.960 -0.001 0.000 0.214 471 G C -0.349 174.524 174.900 -0.045 0.000 1.271 471 G CA -0.505 44.567 45.100 -0.046 0.000 0.944 471 G HN 0.823 nan 8.290 nan 0.000 0.568 472 A N 1.180 123.974 122.820 -0.044 0.000 2.425 472 A HA 0.645 4.964 4.320 -0.001 0.000 0.242 472 A C -0.054 177.496 177.584 -0.056 0.000 1.077 472 A CA 0.345 52.363 52.037 -0.032 0.000 0.781 472 A CB 0.224 19.219 19.000 -0.009 0.000 1.020 472 A HN 0.713 nan 8.150 nan 0.000 0.494 473 P HA 0.030 nan 4.420 nan 0.000 0.223 473 P C -0.148 177.023 177.300 -0.215 0.000 1.151 473 P CA 0.929 63.988 63.100 -0.068 0.000 0.787 473 P CB 0.043 31.734 31.700 -0.014 0.000 0.788 474 L N -0.976 120.130 121.223 -0.195 0.000 2.549 474 L HA 0.384 4.723 4.340 -0.001 0.000 0.259 474 L C -1.499 175.382 176.870 0.017 0.000 0.934 474 L CA -0.921 53.752 54.840 -0.279 0.000 0.865 474 L CB 2.604 44.306 42.059 -0.595 0.000 1.352 474 L HN -0.413 nan 8.230 nan 0.000 0.410 475 V N 2.732 122.668 119.914 0.037 0.000 2.531 475 V HA 0.793 4.912 4.120 -0.001 0.000 0.301 475 V C -0.251 175.961 176.094 0.197 0.000 1.034 475 V CA -0.377 62.038 62.300 0.193 0.000 0.865 475 V CB 1.838 33.762 31.823 0.169 0.000 0.995 475 V HN 0.856 nan 8.190 nan 0.000 0.424 476 S N 3.052 118.929 115.700 0.295 0.000 2.621 476 S HA 0.940 5.410 4.470 -0.001 0.000 0.302 476 S C -0.352 174.340 174.600 0.153 0.000 1.093 476 S CA -0.454 57.867 58.200 0.203 0.000 1.017 476 S CB 2.211 65.588 63.200 0.294 0.000 1.077 476 S HN 1.420 nan 8.310 nan 0.000 0.517 477 A N 1.344 124.191 122.820 0.045 0.000 2.340 477 A HA 0.721 5.040 4.320 -0.001 0.000 0.297 477 A C -0.264 177.281 177.584 -0.064 0.000 1.195 477 A CA -0.690 51.326 52.037 -0.035 0.000 0.769 477 A CB 0.592 19.558 19.000 -0.058 0.000 1.163 477 A HN 1.849 nan 8.150 nan 0.000 0.472 478 V N 0.499 120.343 119.914 -0.116 0.000 3.001 478 V HA 0.981 5.101 4.120 -0.001 0.000 0.314 478 V C 0.403 176.439 176.094 -0.097 0.000 1.099 478 V CA -0.188 62.059 62.300 -0.089 0.000 0.989 478 V CB 1.455 33.245 31.823 -0.056 0.000 1.040 478 V HN 1.330 nan 8.190 nan 0.000 0.434 479 G N 1.403 110.172 108.800 -0.052 0.000 2.442 479 G HA2 0.485 4.444 3.960 -0.001 0.000 0.249 479 G HA3 0.485 4.444 3.960 -0.001 0.000 0.249 479 G C 0.106 175.004 174.900 -0.003 0.000 1.263 479 G CA 0.763 45.847 45.100 -0.027 0.000 0.846 479 G HN 1.327 nan 8.290 nan 0.000 0.555 480 D N -0.034 120.385 120.400 0.031 0.000 3.031 480 D HA -0.187 4.453 4.640 -0.001 0.000 0.180 480 D C 1.464 177.835 176.300 0.119 0.000 1.571 480 D CA 1.690 55.762 54.000 0.120 0.000 2.057 480 D CB -0.680 40.236 40.800 0.194 0.000 1.356 480 D HN 0.327 nan 8.370 nan 0.000 0.442 481 L N 0.352 121.532 121.223 -0.070 0.000 2.693 481 L HA 0.274 4.613 4.340 -0.001 0.000 0.235 481 L C 1.682 178.249 176.870 -0.506 0.000 1.127 481 L CA 0.452 55.108 54.840 -0.308 0.000 0.914 481 L CB 0.766 42.544 42.059 -0.469 0.000 1.193 481 L HN 0.207 nan 8.230 nan 0.000 0.502 482 V N -1.124 118.597 119.914 -0.322 0.000 0.516 482 V HA -0.244 3.875 4.120 -0.001 0.000 0.092 482 V C 0.908 176.727 176.094 -0.458 0.000 2.243 482 V CA 1.426 63.533 62.300 -0.322 0.000 3.573 482 V CB -1.990 29.673 31.823 -0.268 0.000 0.862 482 V HN 0.751 nan 8.190 nan 0.000 0.902 483 G N -1.299 106.931 108.800 -0.950 0.000 2.347 483 G HA2 0.522 4.481 3.960 -0.001 0.000 0.321 483 G HA3 0.522 4.481 3.960 -0.001 0.000 0.321 483 G C -1.482 172.272 174.900 -1.909 0.000 1.412 483 G CA -0.257 44.223 45.100 -1.034 0.000 0.990 483 G HN 1.094 nan 8.290 nan 0.000 0.637 484 F N -1.167 118.271 119.950 -0.854 0.000 2.626 484 F HA 0.659 5.185 4.527 -0.001 0.000 0.311 484 F C 0.284 175.848 175.800 -0.393 0.000 1.088 484 F CA -1.110 56.423 58.000 -0.778 0.000 0.949 484 F CB 2.238 40.787 39.000 -0.752 0.000 1.322 484 F HN 0.373 nan 8.300 nan 0.000 0.461 485 V N 1.066 120.974 119.914 -0.011 0.000 2.461 485 V HA 0.220 4.340 4.120 -0.001 0.000 0.275 485 V C -0.797 175.174 176.094 -0.205 0.000 1.047 485 V CA -0.543 61.772 62.300 0.025 0.000 0.955 485 V CB 0.684 32.567 31.823 0.099 0.000 0.988 485 V HN 0.633 nan 8.190 nan 0.000 0.471 486 H N 3.038 122.124 119.070 0.028 0.000 2.700 486 H HA 0.286 4.841 4.556 -0.001 0.000 0.269 486 H C 0.481 175.782 175.328 -0.045 0.000 1.222 486 H CA -0.518 55.511 56.048 -0.032 0.000 1.254 486 H CB 0.494 30.206 29.762 -0.082 0.000 1.413 486 H HN 0.575 nan 8.280 nan 0.000 0.507 487 D N 0.769 121.190 120.400 0.035 0.000 2.144 487 D HA -0.114 4.525 4.640 -0.001 0.000 0.200 487 D C 0.276 176.582 176.300 0.011 0.000 0.978 487 D CA 1.481 55.490 54.000 0.015 0.000 0.833 487 D CB 0.465 41.269 40.800 0.006 0.000 0.961 487 D HN 0.492 nan 8.370 nan 0.000 0.470 488 D N -0.422 119.987 120.400 0.016 0.000 2.788 488 D HA 0.126 4.765 4.640 -0.001 0.000 0.247 488 D C 1.164 177.462 176.300 -0.004 0.000 1.236 488 D CA -0.406 53.594 54.000 0.000 0.000 0.898 488 D CB 1.529 42.332 40.800 0.004 0.000 1.401 488 D HN -0.143 nan 8.370 nan 0.000 0.549 489 L N 2.348 123.535 121.223 -0.060 0.000 2.265 489 L HA -0.088 4.251 4.340 -0.001 0.000 0.215 489 L C 1.806 178.656 176.870 -0.033 0.000 1.117 489 L CA 0.802 55.565 54.840 -0.128 0.000 0.782 489 L CB -0.110 41.707 42.059 -0.403 0.000 0.914 489 L HN 0.144 nan 8.230 nan 0.000 0.441 490 K N -0.292 120.113 120.400 0.008 0.000 2.358 490 K HA 0.258 4.578 4.320 -0.001 0.000 0.197 490 K C -0.204 176.419 176.600 0.039 0.000 1.025 490 K CA 0.172 56.487 56.287 0.048 0.000 1.104 490 K CB 0.735 33.269 32.500 0.057 0.000 0.855 490 K HN 0.018 nan 8.250 nan 0.000 0.531 491 V N 0.519 120.449 119.914 0.027 0.000 2.487 491 V HA 0.439 4.559 4.120 -0.001 0.000 0.298 491 V C 0.486 176.588 176.094 0.014 0.000 1.028 491 V CA -1.423 60.889 62.300 0.020 0.000 0.860 491 V CB 1.559 33.389 31.823 0.012 0.000 0.991 491 V HN 0.207 nan 8.190 nan 0.000 0.427 492 G N 5.284 114.087 108.800 0.005 0.000 2.441 492 G HA2 0.440 4.400 3.960 -0.001 0.000 0.243 492 G HA3 0.440 4.400 3.960 -0.001 0.000 0.243 492 G C -2.498 172.367 174.900 -0.058 0.000 1.281 492 G CA -0.629 44.456 45.100 -0.026 0.000 0.854 492 G HN 0.540 nan 8.290 nan 0.000 0.560 493 P HA 0.180 nan 4.420 nan 0.000 0.272 493 P C 0.650 177.950 177.300 0.000 0.000 1.230 493 P CA -0.482 62.538 63.100 -0.134 0.000 0.788 493 P CB 0.959 32.475 31.700 -0.306 0.000 0.949 494 K N 0.479 120.910 120.400 0.052 0.000 2.323 494 K HA 0.106 4.425 4.320 -0.001 0.000 0.197 494 K C 0.611 177.300 176.600 0.149 0.000 1.043 494 K CA 0.885 57.220 56.287 0.080 0.000 0.997 494 K CB 0.404 32.934 32.500 0.049 0.000 0.807 494 K HN 0.405 nan 8.250 nan 0.000 0.497 495 K N 0.770 121.284 120.400 0.191 0.000 2.551 495 K HA 0.245 4.564 4.320 -0.001 0.000 0.269 495 K C -0.853 175.851 176.600 0.173 0.000 0.949 495 K CA -0.505 55.890 56.287 0.180 0.000 0.849 495 K CB 1.774 34.333 32.500 0.100 0.000 1.411 495 K HN -0.072 nan 8.250 nan 0.000 0.432 496 M N 1.357 120.931 119.600 -0.043 0.000 2.227 496 M HA 0.260 4.739 4.480 -0.001 0.000 0.316 496 M C 0.560 176.674 176.300 -0.309 0.000 1.144 496 M CA 0.093 55.101 55.300 -0.488 0.000 1.121 496 M CB 0.582 32.770 32.600 -0.686 0.000 1.440 496 M HN 0.722 nan 8.290 nan 0.000 0.473 497 H N 0.235 119.078 119.070 -0.379 0.000 2.265 497 H HA -0.009 4.546 4.556 -0.001 0.000 0.295 497 H C -0.113 175.011 175.328 -0.338 0.000 1.084 497 H CA 1.306 57.147 56.048 -0.344 0.000 1.261 497 H CB 0.125 29.426 29.762 -0.769 0.000 1.360 497 H HN 0.426 nan 8.280 nan 0.000 0.487 498 V N 1.038 120.774 119.914 -0.297 0.000 2.498 498 V HA 0.091 4.210 4.120 -0.001 0.000 0.283 498 V C -1.915 174.014 176.094 -0.275 0.000 1.015 498 V CA -0.988 61.069 62.300 -0.405 0.000 0.867 498 V CB 2.040 33.304 31.823 -0.930 0.000 1.025 498 V HN 0.111 nan 8.190 nan 0.000 0.441 499 P HA -0.112 nan 4.420 nan 0.000 0.222 499 P C 1.536 178.889 177.300 0.088 0.000 1.147 499 P CA 1.438 64.576 63.100 0.063 0.000 0.790 499 P CB 0.246 32.006 31.700 0.100 0.000 0.780 500 S N -3.516 112.108 115.700 -0.127 0.000 2.562 500 S HA -0.011 4.458 4.470 -0.001 0.000 0.221 500 S C 0.706 175.408 174.600 0.171 0.000 0.975 500 S CA -0.030 58.089 58.200 -0.135 0.000 0.918 500 S CB -0.885 62.109 63.200 -0.342 0.000 0.772 500 S HN -0.059 nan 8.310 nan 0.000 0.531 501 Y N 2.596 122.896 120.300 0.000 0.000 2.326 501 Y HA 0.498 5.047 4.550 -0.001 0.000 0.324 501 Y C 1.943 177.864 175.900 0.035 0.000 1.291 501 Y CA -1.428 56.660 58.100 -0.021 0.000 1.348 501 Y CB 1.182 39.564 38.460 -0.129 0.000 1.294 501 Y HN 0.298 nan 8.280 nan 0.000 0.525 502 S N -1.251 114.541 115.700 0.154 0.000 2.566 502 S HA 0.263 4.733 4.470 -0.001 0.000 0.234 502 S C 0.148 174.767 174.600 0.033 0.000 1.075 502 S CA 0.034 58.292 58.200 0.098 0.000 0.926 502 S CB 0.169 63.391 63.200 0.036 0.000 0.811 502 S HN 0.326 nan 8.310 nan 0.000 0.518 503 S N 0.581 116.253 115.700 -0.047 0.000 2.571 503 S HA 0.707 5.177 4.470 -0.001 0.000 0.284 503 S C -0.319 174.185 174.600 -0.159 0.000 1.128 503 S CA -0.695 57.451 58.200 -0.090 0.000 0.970 503 S CB 1.706 64.856 63.200 -0.083 0.000 1.039 503 S HN 0.639 nan 8.310 nan 0.000 0.485 504 G N 0.951 109.655 108.800 -0.160 0.000 2.333 504 G HA2 0.430 4.390 3.960 -0.001 0.000 0.290 504 G HA3 0.430 4.390 3.960 -0.001 0.000 0.290 504 G C 0.792 175.597 174.900 -0.159 0.000 1.150 504 G CA -0.302 44.682 45.100 -0.192 0.000 0.895 504 G HN 0.741 nan 8.290 nan 0.000 0.444 505 T N -0.408 114.042 114.554 -0.175 0.000 2.971 505 T HA 0.478 4.827 4.350 -0.001 0.000 0.252 505 T C 0.920 175.563 174.700 -0.096 0.000 1.022 505 T CA 0.433 62.461 62.100 -0.121 0.000 0.980 505 T CB 0.791 69.594 68.868 -0.108 0.000 1.044 505 T HN 1.036 nan 8.240 nan 0.000 0.501 506 G N 0.480 109.205 108.800 -0.126 0.000 2.732 506 G HA2 0.640 4.599 3.960 -0.001 0.000 0.296 506 G HA3 0.640 4.599 3.960 -0.001 0.000 0.296 506 G C -2.164 172.668 174.900 -0.114 0.000 1.448 506 G CA -0.766 44.282 45.100 -0.086 0.000 0.911 506 G HN 0.432 nan 8.290 nan 0.000 0.528 507 I N 0.759 121.304 120.570 -0.043 0.000 2.752 507 I HA 0.648 4.817 4.170 -0.001 0.000 0.295 507 I C -2.106 174.049 176.117 0.062 0.000 1.219 507 I CA -0.684 60.606 61.300 -0.016 0.000 1.030 507 I CB 2.573 40.574 38.000 0.001 0.000 1.259 507 I HN 0.550 nan 8.210 nan 0.000 0.423 508 D N 4.132 124.586 120.400 0.089 0.000 2.602 508 D HA 0.465 5.104 4.640 -0.001 0.000 0.236 508 D C -1.812 174.584 176.300 0.161 0.000 1.209 508 D CA -0.025 54.038 54.000 0.105 0.000 0.831 508 D CB 1.922 42.761 40.800 0.064 0.000 1.478 508 D HN 0.347 nan 8.370 nan 0.000 0.438 509 Y N -0.448 119.916 120.300 0.106 0.000 2.562 509 Y HA 0.833 5.382 4.550 -0.002 0.000 0.343 509 Y C -0.640 175.362 175.900 0.171 0.000 1.025 509 Y CA -1.628 56.539 58.100 0.113 0.000 1.082 509 Y CB 1.065 39.573 38.460 0.081 0.000 1.264 509 Y HN 0.337 nan 8.280 nan 0.000 0.478 510 A N 2.216 125.226 122.820 0.317 0.000 2.396 510 A HA 0.245 4.564 4.320 -0.001 0.000 0.279 510 A C 1.094 178.821 177.584 0.238 0.000 1.165 510 A CA -0.147 52.025 52.037 0.225 0.000 0.824 510 A CB 0.072 19.256 19.000 0.306 0.000 1.100 510 A HN 0.965 nan 8.150 nan 0.000 0.516 511 E N 2.562 122.804 120.200 0.070 0.000 2.097 511 E HA -0.187 4.163 4.350 -0.001 0.000 0.196 511 E C 1.192 177.914 176.600 0.202 0.000 1.000 511 E CA 1.914 58.424 56.400 0.184 0.000 0.804 511 E CB -0.195 29.539 29.700 0.057 0.000 0.740 511 E HN 0.774 nan 8.360 nan 0.000 0.454 512 L N -0.693 120.602 121.223 0.120 0.000 2.567 512 L HA 0.161 4.501 4.340 -0.001 0.000 0.225 512 L C 0.027 176.949 176.870 0.087 0.000 1.119 512 L CA -0.143 54.748 54.840 0.084 0.000 0.871 512 L CB 0.776 42.860 42.059 0.041 0.000 1.036 512 L HN -0.091 nan 8.230 nan 0.000 0.459 513 V N 0.355 120.347 119.914 0.130 0.000 2.468 513 V HA 0.185 4.305 4.120 -0.001 0.000 0.256 513 V C -1.682 174.544 176.094 0.220 0.000 0.998 513 V CA -0.612 61.767 62.300 0.132 0.000 1.114 513 V CB 0.756 32.630 31.823 0.085 0.000 1.378 513 V HN 0.000 nan 8.190 nan 0.000 0.573 514 P HA -0.090 nan 4.420 nan 0.000 0.230 514 P C 1.164 178.544 177.300 0.133 0.000 1.158 514 P CA 0.940 64.172 63.100 0.220 0.000 0.769 514 P CB 0.151 31.897 31.700 0.077 0.000 0.807 515 N N -0.309 118.467 118.700 0.127 0.000 2.459 515 N HA -0.135 4.604 4.740 -0.001 0.000 0.181 515 N C 0.208 175.813 175.510 0.158 0.000 1.046 515 N CA 0.126 53.235 53.050 0.098 0.000 0.904 515 N CB -0.723 37.820 38.487 0.092 0.000 0.964 515 N HN 0.124 nan 8.380 nan 0.000 0.444 516 F N 1.894 121.908 119.950 0.107 0.000 2.411 516 F HA 0.480 5.006 4.527 -0.001 0.000 0.355 516 F C -0.182 175.709 175.800 0.151 0.000 1.117 516 F CA -0.714 57.374 58.000 0.146 0.000 1.139 516 F CB 0.663 39.762 39.000 0.165 0.000 1.120 516 F HN -0.170 nan 8.300 nan 0.000 0.493 517 M N 5.360 124.625 119.600 -0.558 0.000 2.619 517 M HA 0.699 5.178 4.480 -0.001 0.000 0.297 517 M C -1.145 174.941 176.300 -0.358 0.000 1.229 517 M CA -1.052 54.062 55.300 -0.311 0.000 0.860 517 M CB 2.327 34.851 32.600 -0.127 0.000 1.741 517 M HN 0.584 nan 8.290 nan 0.000 0.462 518 A N 2.053 124.846 122.820 -0.045 0.000 2.371 518 A HA 0.899 5.218 4.320 -0.001 0.000 0.311 518 A C -1.813 175.722 177.584 -0.083 0.000 1.068 518 A CA -0.601 51.422 52.037 -0.023 0.000 0.744 518 A CB 1.558 20.599 19.000 0.068 0.000 1.239 518 A HN 0.758 nan 8.150 nan 0.000 0.435 519 L N 3.262 124.298 121.223 -0.312 0.000 2.385 519 L HA 0.777 5.116 4.340 -0.001 0.000 0.273 519 L C -0.509 175.998 176.870 -0.606 0.000 0.990 519 L CA -0.499 54.032 54.840 -0.514 0.000 0.821 519 L CB 2.039 43.498 42.059 -1.000 0.000 1.279 519 L HN 0.883 nan 8.230 nan 0.000 0.412 520 V N 2.339 121.914 119.914 -0.566 0.000 2.769 520 V HA 1.084 5.203 4.120 -0.001 0.000 0.312 520 V C -0.206 175.570 176.094 -0.530 0.000 1.058 520 V CA 0.074 61.950 62.300 -0.705 0.000 0.952 520 V CB 1.055 32.386 31.823 -0.821 0.000 1.019 520 V HN 1.225 nan 8.190 nan 0.000 0.445 521 A N 2.911 125.376 122.820 -0.592 0.000 2.610 521 A HA 0.772 5.091 4.320 -0.001 0.000 0.291 521 A C -0.859 176.449 177.584 -0.460 0.000 1.086 521 A CA -1.083 50.581 52.037 -0.622 0.000 0.677 521 A CB 1.690 19.965 19.000 -1.210 0.000 1.278 521 A HN 0.878 nan 8.150 nan 0.000 0.414 522 K N -0.006 120.188 120.400 -0.342 0.000 2.118 522 K HA 0.717 5.036 4.320 -0.001 0.000 0.254 522 K C -0.546 175.929 176.600 -0.209 0.000 0.961 522 K CA -0.353 55.800 56.287 -0.223 0.000 0.876 522 K CB 2.144 34.559 32.500 -0.142 0.000 1.077 522 K HN 0.948 nan 8.250 nan 0.000 0.440 523 A N 2.493 125.247 122.820 -0.110 0.000 2.855 523 A HA 0.193 4.512 4.320 -0.001 0.000 0.313 523 A C -0.350 177.229 177.584 -0.009 0.000 1.173 523 A CA -0.633 51.412 52.037 0.014 0.000 0.753 523 A CB 0.225 19.298 19.000 0.122 0.000 1.200 523 A HN 0.709 nan 8.150 nan 0.000 0.442 524 D N 1.077 121.451 120.400 -0.044 0.000 2.219 524 D HA -0.083 4.556 4.640 -0.001 0.000 0.205 524 D C 1.525 177.735 176.300 -0.149 0.000 0.970 524 D CA 1.272 55.210 54.000 -0.103 0.000 0.851 524 D CB 0.327 41.048 40.800 -0.132 0.000 0.943 524 D HN 0.623 nan 8.370 nan 0.000 0.488 525 L N -1.689 119.444 121.223 -0.150 0.000 2.609 525 L HA 0.150 4.489 4.340 -0.001 0.000 0.230 525 L C -0.154 176.358 176.870 -0.596 0.000 1.087 525 L CA 0.137 54.741 54.840 -0.393 0.000 0.874 525 L CB 0.365 42.136 42.059 -0.480 0.000 1.114 525 L HN -0.089 nan 8.230 nan 0.000 0.488 526 Y N -1.101 119.180 120.300 -0.031 0.000 2.512 526 Y HA 0.265 4.815 4.550 -0.001 0.000 0.348 526 Y C -0.262 175.643 175.900 0.008 0.000 0.990 526 Y CA -1.232 56.862 58.100 -0.009 0.000 1.033 526 Y CB 1.498 39.962 38.460 0.008 0.000 1.259 526 Y HN -0.229 nan 8.280 nan 0.000 0.461 527 D N 2.623 123.122 120.400 0.166 0.000 2.551 527 D HA 0.208 4.848 4.640 -0.001 0.000 0.223 527 D C -1.207 175.170 176.300 0.129 0.000 1.144 527 D CA 0.450 54.514 54.000 0.107 0.000 1.025 527 D CB 0.191 41.032 40.800 0.068 0.000 1.085 527 D HN 0.312 nan 8.370 nan 0.000 0.506 528 V N 2.812 122.818 119.914 0.153 0.000 2.864 528 V HA 0.376 4.495 4.120 -0.001 0.000 0.314 528 V C -0.644 175.554 176.094 0.173 0.000 1.073 528 V CA -0.910 61.482 62.300 0.155 0.000 0.956 528 V CB 2.057 33.974 31.823 0.157 0.000 1.023 528 V HN 0.111 nan 8.190 nan 0.000 0.435 529 K N 4.120 124.619 120.400 0.164 0.000 2.412 529 K HA 0.229 4.548 4.320 -0.001 0.000 0.281 529 K C 0.252 176.964 176.600 0.187 0.000 1.027 529 K CA 0.236 56.623 56.287 0.167 0.000 0.989 529 K CB 0.512 33.113 32.500 0.169 0.000 0.935 529 K HN 0.572 nan 8.250 nan 0.000 0.475 530 K N 1.832 122.296 120.400 0.106 0.000 2.446 530 K HA 0.227 4.546 4.320 -0.001 0.000 0.203 530 K C 0.346 176.622 176.600 -0.540 0.000 1.027 530 K CA -0.037 56.144 56.287 -0.175 0.000 1.166 530 K CB 0.129 32.573 32.500 -0.093 0.000 0.869 530 K HN 0.469 nan 8.250 nan 0.000 0.504 531 I N -0.103 120.150 120.570 -0.529 0.000 2.569 531 I HA 0.235 4.405 4.170 -0.001 0.000 0.296 531 I C -1.131 174.661 176.117 -0.541 0.000 1.028 531 I CA -0.472 60.318 61.300 -0.851 0.000 1.082 531 I CB 2.029 39.310 38.000 -1.198 0.000 1.264 531 I HN -0.124 nan 8.210 nan 0.000 0.429 532 S N 5.496 120.812 115.700 -0.640 0.000 2.568 532 S HA 0.671 5.140 4.470 -0.001 0.000 0.293 532 S C -1.135 173.028 174.600 -0.728 0.000 1.089 532 S CA -0.391 57.476 58.200 -0.556 0.000 0.945 532 S CB 1.575 64.610 63.200 -0.274 0.000 1.077 532 S HN 0.415 nan 8.310 nan 0.000 0.485 533 F N 1.011 120.678 119.950 -0.472 0.000 2.522 533 F HA 0.670 5.197 4.527 -0.001 0.000 0.324 533 F C 0.588 175.898 175.800 -0.816 0.000 1.077 533 F CA -0.652 56.938 58.000 -0.684 0.000 0.944 533 F CB 1.980 40.428 39.000 -0.920 0.000 1.175 533 F HN 0.464 nan 8.300 nan 0.000 0.468 534 S N 1.070 116.307 115.700 -0.771 0.000 2.513 534 S HA 0.468 4.937 4.470 -0.001 0.000 0.299 534 S C -0.597 173.759 174.600 -0.407 0.000 1.087 534 S CA -0.425 57.226 58.200 -0.915 0.000 1.012 534 S CB 0.707 62.901 63.200 -1.675 0.000 1.044 534 S HN 0.524 nan 8.310 nan 0.000 0.485 535 Y N 1.546 121.796 120.300 -0.084 0.000 2.444 535 Y HA 0.258 4.808 4.550 -0.001 0.000 0.249 535 Y C 0.864 176.751 175.900 -0.022 0.000 1.134 535 Y CA -0.540 57.602 58.100 0.069 0.000 1.261 535 Y CB 0.221 38.767 38.460 0.143 0.000 1.143 535 Y HN 0.686 nan 8.280 nan 0.000 0.523 536 D N -1.624 118.773 120.400 -0.006 0.000 2.891 536 D HA 0.299 4.938 4.640 -0.001 0.000 0.312 536 D C 1.355 177.587 176.300 -0.113 0.000 1.354 536 D CA -0.073 53.904 54.000 -0.039 0.000 0.838 536 D CB -0.064 40.716 40.800 -0.032 0.000 1.117 536 D HN 0.194 nan 8.370 nan 0.000 0.473 537 G N -0.185 108.535 108.800 -0.134 0.000 2.198 537 G HA2 -0.024 3.935 3.960 -0.001 0.000 0.260 537 G HA3 -0.024 3.935 3.960 -0.001 0.000 0.260 537 G C 1.119 175.909 174.900 -0.184 0.000 1.025 537 G CA 0.315 45.338 45.100 -0.129 0.000 0.769 537 G HN 1.478 nan 8.290 nan 0.000 0.507 538 G N -1.479 107.063 108.800 -0.430 0.000 2.157 538 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.239 538 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.239 538 G C 1.167 175.924 174.900 -0.238 0.000 0.982 538 G CA 1.121 45.919 45.100 -0.504 0.000 0.650 538 G HN 0.929 nan 8.290 nan 0.000 0.527 539 R N -0.326 120.027 120.500 -0.244 0.000 2.075 539 R HA 0.098 4.438 4.340 -0.001 0.000 0.226 539 R C 0.464 176.715 176.300 -0.081 0.000 1.114 539 R CA 0.932 56.993 56.100 -0.066 0.000 0.972 539 R CB -0.048 30.222 30.300 -0.050 0.000 0.869 539 R HN 0.392 nan 8.270 nan 0.000 0.437 540 N N -0.452 118.082 118.700 -0.277 0.000 2.238 540 N HA 0.209 4.949 4.740 -0.001 0.000 0.302 540 N C -1.479 173.771 175.510 -0.434 0.000 1.072 540 N CA -0.365 52.579 53.050 -0.176 0.000 0.792 540 N CB 1.846 40.298 38.487 -0.059 0.000 1.425 540 N HN -0.040 nan 8.380 nan 0.000 0.478 541 W N 1.495 122.756 121.300 -0.066 0.000 2.844 541 W HA 0.542 5.201 4.660 -0.001 0.000 0.340 541 W C -0.387 176.105 176.519 -0.046 0.000 1.093 541 W CA -0.783 56.471 57.345 -0.151 0.000 1.212 541 W CB 1.096 30.412 29.460 -0.241 0.000 1.422 541 W HN 0.377 nan 8.180 nan 0.000 0.515 542 F N 0.053 120.051 119.950 0.080 0.000 2.603 542 F HA 0.803 5.329 4.527 -0.001 0.000 0.317 542 F C -0.826 175.018 175.800 0.074 0.000 1.066 542 F CA -1.583 56.444 58.000 0.045 0.000 0.941 542 F CB 1.326 40.331 39.000 0.009 0.000 1.291 542 F HN 0.232 nan 8.300 nan 0.000 0.472 543 Q N 2.933 122.865 119.800 0.219 0.000 2.274 543 Q HA 0.562 4.901 4.340 -0.001 0.000 0.260 543 Q C -2.518 173.694 176.000 0.354 0.000 0.974 543 Q CA -1.854 54.027 55.803 0.129 0.000 0.876 543 Q CB 1.592 30.386 28.738 0.093 0.000 1.297 543 Q HN 0.498 nan 8.270 nan 0.000 0.446 544 P HA 0.212 nan 4.420 nan 0.000 0.278 544 P C -2.136 175.361 177.300 0.329 0.000 1.266 544 P CA -1.394 61.976 63.100 0.450 0.000 0.807 544 P CB 0.555 32.600 31.700 0.575 0.000 1.094 545 P HA -0.013 nan 4.420 nan 0.000 0.225 545 P C -0.051 177.395 177.300 0.242 0.000 1.156 545 P CA 1.241 64.476 63.100 0.224 0.000 0.787 545 P CB 0.384 32.192 31.700 0.181 0.000 0.802 546 N N -0.096 118.811 118.700 0.345 0.000 2.321 546 N HA 0.283 5.022 4.740 -0.001 0.000 0.290 546 N C -0.517 175.290 175.510 0.496 0.000 1.212 546 N CA -0.499 52.777 53.050 0.376 0.000 0.767 546 N CB 2.281 41.009 38.487 0.402 0.000 1.494 546 N HN -0.012 nan 8.380 nan 0.000 0.479 547 E N 0.252 120.551 120.200 0.164 0.000 2.235 547 E HA 0.629 4.979 4.350 -0.001 0.000 0.265 547 E C -0.477 175.552 176.600 -0.952 0.000 0.940 547 E CA -1.035 55.258 56.400 -0.178 0.000 0.819 547 E CB 1.818 31.464 29.700 -0.091 0.000 1.206 547 E HN 0.623 nan 8.360 nan 0.000 0.409 548 A N 2.671 124.436 122.820 -1.759 0.000 2.520 548 A HA 0.164 4.483 4.320 -0.001 0.000 0.235 548 A C -2.181 174.889 177.584 -0.856 0.000 1.065 548 A CA -0.831 50.408 52.037 -1.329 0.000 0.764 548 A CB -0.589 17.583 19.000 -1.380 0.000 1.002 548 A HN 0.292 nan 8.150 nan 0.000 0.502 549 P HA 0.067 nan 4.420 nan 0.000 0.261 549 P C -0.621 176.387 177.300 -0.487 0.000 1.183 549 P CA 0.470 63.337 63.100 -0.388 0.000 0.761 549 P CB 0.234 31.782 31.700 -0.252 0.000 0.785 550 N N 0.292 118.744 118.700 -0.414 0.000 2.859 550 N HA 0.125 4.864 4.740 -0.001 0.000 0.250 550 N C -0.040 175.316 175.510 -0.258 0.000 1.341 550 N CA -0.659 52.146 53.050 -0.408 0.000 0.881 550 N CB 1.029 39.159 38.487 -0.593 0.000 1.516 550 N HN 0.224 nan 8.380 nan 0.000 0.503 551 S N -0.807 114.767 115.700 -0.211 0.000 2.502 551 S HA 0.062 4.532 4.470 -0.001 0.000 0.228 551 S C 1.297 175.820 174.600 -0.128 0.000 1.061 551 S CA 1.066 59.177 58.200 -0.147 0.000 0.935 551 S CB -0.532 62.595 63.200 -0.122 0.000 0.809 551 S HN 0.848 nan 8.310 nan 0.000 0.510 552 V N -2.198 117.634 119.914 -0.136 0.000 3.276 552 V HA 0.710 4.829 4.120 -0.001 0.000 0.319 552 V C 1.059 177.097 176.094 -0.093 0.000 1.476 552 V CA -0.283 61.952 62.300 -0.108 0.000 1.097 552 V CB -0.645 31.116 31.823 -0.102 0.000 0.988 552 V HN 0.786 nan 8.190 nan 0.000 0.473 553 G N 1.259 110.001 108.800 -0.097 0.000 2.574 553 G HA2 0.178 4.137 3.960 -0.001 0.000 0.286 553 G HA3 0.178 4.137 3.960 -0.001 0.000 0.286 553 G C 1.192 176.128 174.900 0.059 0.000 1.212 553 G CA 0.732 45.861 45.100 0.049 0.000 0.979 553 G HN 2.445 nan 8.290 nan 0.000 0.557 554 G N -1.358 107.489 108.800 0.078 0.000 2.575 554 G HA2 0.410 4.369 3.960 -0.001 0.000 0.267 554 G HA3 0.410 4.369 3.960 -0.001 0.000 0.267 554 G C 1.412 176.400 174.900 0.146 0.000 1.264 554 G CA 1.616 46.728 45.100 0.019 0.000 0.935 554 G HN 3.312 nan 8.290 nan 0.000 0.568 555 G N -1.959 106.869 108.800 0.046 0.000 2.553 555 G HA2 0.358 4.317 3.960 -0.001 0.000 0.242 555 G HA3 0.358 4.317 3.960 -0.001 0.000 0.242 555 G C 0.510 175.459 174.900 0.081 0.000 1.277 555 G CA 1.642 46.782 45.100 0.067 0.000 0.910 555 G HN 2.884 nan 8.290 nan 0.000 0.576 556 S N -2.041 113.735 115.700 0.127 0.000 2.677 556 S HA 0.846 5.315 4.470 -0.001 0.000 0.304 556 S C -0.684 174.003 174.600 0.145 0.000 1.108 556 S CA 0.063 58.319 58.200 0.094 0.000 0.944 556 S CB 2.212 65.461 63.200 0.081 0.000 1.127 556 S HN 2.242 nan 8.310 nan 0.000 0.511 557 V N -0.224 119.745 119.914 0.092 0.000 2.888 557 V HA 0.841 4.960 4.120 -0.001 0.000 0.309 557 V C -1.245 174.952 176.094 0.171 0.000 1.114 557 V CA -0.274 62.094 62.300 0.114 0.000 0.940 557 V CB 1.735 33.535 31.823 -0.039 0.000 1.021 557 V HN 1.565 nan 8.190 nan 0.000 0.426 558 A N 5.431 128.411 122.820 0.267 0.000 2.359 558 A HA 0.846 5.165 4.320 -0.001 0.000 0.303 558 A C -1.329 176.514 177.584 0.431 0.000 1.066 558 A CA -0.492 51.746 52.037 0.335 0.000 0.730 558 A CB 1.850 21.125 19.000 0.458 0.000 1.211 558 A HN 0.992 nan 8.150 nan 0.000 0.439 559 V N 2.271 122.365 119.914 0.300 0.000 2.435 559 V HA 0.614 4.734 4.120 -0.001 0.000 0.290 559 V C 0.950 177.161 176.094 0.195 0.000 1.030 559 V CA -0.346 62.150 62.300 0.327 0.000 0.881 559 V CB 1.340 33.339 31.823 0.293 0.000 0.983 559 V HN 1.261 nan 8.190 nan 0.000 0.445 560 A N 3.835 126.828 122.820 0.288 0.000 2.520 560 A HA 0.468 4.788 4.320 -0.001 0.000 0.235 560 A C 1.688 179.267 177.584 -0.007 0.000 1.065 560 A CA 0.533 52.598 52.037 0.048 0.000 0.764 560 A CB 0.154 19.281 19.000 0.212 0.000 1.002 560 A HN 1.463 nan 8.150 nan 0.000 0.502 561 A N 1.578 124.343 122.820 -0.091 0.000 1.948 561 A HA -0.187 4.133 4.320 -0.001 0.000 0.220 561 A C 1.332 178.919 177.584 0.004 0.000 1.177 561 A CA 2.191 54.203 52.037 -0.042 0.000 0.636 561 A CB -0.513 18.456 19.000 -0.052 0.000 0.815 561 A HN 0.945 nan 8.150 nan 0.000 0.449 562 D N -2.675 117.721 120.400 -0.007 0.000 2.368 562 D HA 0.444 5.083 4.640 -0.001 0.000 0.218 562 D C 0.673 176.937 176.300 -0.059 0.000 1.112 562 D CA 0.575 54.563 54.000 -0.020 0.000 0.834 562 D CB -0.322 40.461 40.800 -0.028 0.000 0.953 562 D HN 1.011 nan 8.370 nan 0.000 0.505 563 A N 0.202 123.000 122.820 -0.036 0.000 2.861 563 A HA -0.344 3.975 4.320 -0.001 0.000 0.261 563 A C 1.421 178.851 177.584 -0.255 0.000 1.351 563 A CA 1.582 53.511 52.037 -0.180 0.000 0.904 563 A CB -2.537 16.186 19.000 -0.462 0.000 1.076 563 A HN 0.383 nan 8.150 nan 0.000 0.729 564 K N -0.161 120.178 120.400 -0.101 0.000 2.400 564 K HA 0.152 4.471 4.320 -0.001 0.000 0.194 564 K C 0.708 177.280 176.600 -0.047 0.000 1.033 564 K CA 0.970 57.198 56.287 -0.097 0.000 1.021 564 K CB 0.109 32.575 32.500 -0.058 0.000 0.808 564 K HN 1.090 nan 8.250 nan 0.000 0.505 565 S N -1.006 114.726 115.700 0.053 0.000 2.570 565 S HA 0.548 5.017 4.470 -0.001 0.000 0.270 565 S C -0.953 173.784 174.600 0.229 0.000 1.149 565 S CA -1.012 57.235 58.200 0.079 0.000 0.837 565 S CB 2.155 65.381 63.200 0.044 0.000 1.124 565 S HN -0.182 nan 8.310 nan 0.000 0.465 566 V N 1.935 121.954 119.914 0.174 0.000 2.686 566 V HA 0.525 4.645 4.120 -0.001 0.000 0.306 566 V C -0.884 175.378 176.094 0.280 0.000 1.065 566 V CA -0.628 61.867 62.300 0.326 0.000 0.894 566 V CB 1.679 33.779 31.823 0.463 0.000 1.004 566 V HN 0.933 nan 8.190 nan 0.000 0.424 567 I N 3.915 124.660 120.570 0.291 0.000 2.339 567 I HA 0.338 4.507 4.170 -0.001 0.000 0.290 567 I C -1.048 175.315 176.117 0.411 0.000 0.994 567 I CA -0.287 61.175 61.300 0.270 0.000 1.191 567 I CB 1.364 39.400 38.000 0.060 0.000 1.343 567 I HN 0.652 nan 8.210 nan 0.000 0.458 568 W N 7.013 128.460 121.300 0.244 0.000 2.349 568 W HA 0.413 5.072 4.660 -0.001 0.000 0.309 568 W C -0.653 175.833 176.519 -0.055 0.000 1.083 568 W CA -1.024 56.353 57.345 0.055 0.000 1.224 568 W CB 1.461 30.857 29.460 -0.107 0.000 1.256 568 W HN 0.306 nan 8.180 nan 0.000 0.461 569 T N 8.917 123.635 114.554 0.274 0.000 3.149 569 T HA 0.271 4.620 4.350 -0.001 0.000 0.373 569 T C -2.411 172.253 174.700 -0.060 0.000 1.364 569 T CA -1.171 60.924 62.100 -0.008 0.000 1.110 569 T CB 0.715 69.582 68.868 -0.001 0.000 1.127 569 T HN 0.089 nan 8.240 nan 0.000 0.576 570 P HA 0.152 nan 4.420 nan 0.000 0.274 570 P C 0.089 177.269 177.300 -0.201 0.000 1.246 570 P CA -0.653 62.223 63.100 -0.374 0.000 0.795 570 P CB 0.578 31.764 31.700 -0.857 0.000 1.006 571 E N 1.947 122.072 120.200 -0.125 0.000 2.480 571 E HA -0.111 4.238 4.350 -0.001 0.000 0.258 571 E C -0.073 176.445 176.600 -0.136 0.000 0.984 571 E CA 0.129 56.464 56.400 -0.108 0.000 0.930 571 E CB -0.603 29.041 29.700 -0.092 0.000 0.936 571 E HN 0.319 nan 8.360 nan 0.000 0.466 572 N N 1.157 119.789 118.700 -0.112 0.000 2.725 572 N HA -0.235 4.505 4.740 -0.001 0.000 0.249 572 N C -1.291 174.136 175.510 -0.138 0.000 1.103 572 N CA 1.245 54.230 53.050 -0.107 0.000 0.707 572 N CB -1.353 37.078 38.487 -0.094 0.000 1.043 572 N HN 0.498 nan 8.380 nan 0.000 0.553 573 A N -1.151 121.564 122.820 -0.174 0.000 2.515 573 A HA 0.724 5.043 4.320 -0.001 0.000 0.296 573 A C -0.010 177.437 177.584 -0.228 0.000 1.094 573 A CA -0.350 51.553 52.037 -0.223 0.000 0.718 573 A CB 1.727 20.534 19.000 -0.322 0.000 1.307 573 A HN 0.055 nan 8.150 nan 0.000 0.408 574 S N 0.992 116.549 115.700 -0.238 0.000 2.580 574 S HA 0.518 4.987 4.470 -0.001 0.000 0.274 574 S C -2.428 172.012 174.600 -0.266 0.000 1.329 574 S CA -0.985 57.061 58.200 -0.257 0.000 1.036 574 S CB 0.182 63.242 63.200 -0.233 0.000 0.919 574 S HN 0.450 nan 8.310 nan 0.000 0.515 575 P HA 0.221 nan 4.420 nan 0.000 0.265 575 P C -1.467 175.752 177.300 -0.135 0.000 1.193 575 P CA 0.067 63.044 63.100 -0.204 0.000 0.765 575 P CB 0.442 31.972 31.700 -0.282 0.000 0.823 576 A N 2.913 125.718 122.820 -0.024 0.000 2.435 576 A HA 0.646 4.965 4.320 -0.001 0.000 0.304 576 A C -1.140 176.668 177.584 0.373 0.000 1.064 576 A CA -0.740 51.373 52.037 0.127 0.000 0.727 576 A CB 1.683 20.736 19.000 0.089 0.000 1.284 576 A HN 0.413 nan 8.150 nan 0.000 0.415 577 V N 0.876 120.980 119.914 0.317 0.000 2.581 577 V HA 0.837 4.956 4.120 -0.001 0.000 0.303 577 V C -0.124 175.989 176.094 0.032 0.000 1.041 577 V CA 0.103 62.514 62.300 0.185 0.000 0.907 577 V CB 2.022 33.833 31.823 -0.021 0.000 0.994 577 V HN 1.153 nan 8.190 nan 0.000 0.442 578 T N 2.509 116.897 114.554 -0.278 0.000 2.861 578 T HA 0.483 4.832 4.350 -0.001 0.000 0.287 578 T C 0.522 175.046 174.700 -0.294 0.000 1.003 578 T CA 0.235 61.993 62.100 -0.569 0.000 0.977 578 T CB 1.392 69.463 68.868 -1.329 0.000 0.996 578 T HN 1.011 nan 8.240 nan 0.000 0.448 579 T N -0.111 114.301 114.554 -0.236 0.000 3.044 579 T HA 0.234 4.583 4.350 -0.001 0.000 0.260 579 T C 0.155 174.756 174.700 -0.164 0.000 1.019 579 T CA -0.042 61.964 62.100 -0.158 0.000 0.921 579 T CB -0.082 68.722 68.868 -0.108 0.000 1.053 579 T HN 0.642 nan 8.240 nan 0.000 0.533 580 D N 0.104 120.383 120.400 -0.202 0.000 2.895 580 D HA 0.221 4.860 4.640 -0.001 0.000 0.350 580 D C -0.060 176.151 176.300 -0.148 0.000 1.389 580 D CA -0.929 52.980 54.000 -0.151 0.000 0.812 580 D CB -0.896 39.840 40.800 -0.106 0.000 1.164 580 D HN -0.026 nan 8.370 nan 0.000 0.455 581 N N 0.885 119.444 118.700 -0.234 0.000 2.727 581 N HA -0.136 4.604 4.740 -0.001 0.000 0.249 581 N C 1.225 176.742 175.510 0.011 0.000 1.048 581 N CA 1.494 54.347 53.050 -0.328 0.000 0.714 581 N CB -1.283 37.103 38.487 -0.168 0.000 0.959 581 N HN 0.775 nan 8.380 nan 0.000 0.544 582 G N -1.591 107.142 108.800 -0.111 0.000 2.159 582 G HA2 -0.386 3.573 3.960 -0.001 0.000 0.256 582 G HA3 -0.386 3.573 3.960 -0.001 0.000 0.256 582 G C 1.058 176.052 174.900 0.157 0.000 0.977 582 G CA 0.425 45.568 45.100 0.071 0.000 0.652 582 G HN 0.494 nan 8.290 nan 0.000 0.531 583 N N 0.417 119.138 118.700 0.035 0.000 2.188 583 N HA 0.017 4.756 4.740 -0.001 0.000 0.184 583 N C 1.365 176.909 175.510 0.058 0.000 1.018 583 N CA 1.669 54.764 53.050 0.075 0.000 0.858 583 N CB -0.063 38.447 38.487 0.038 0.000 0.989 583 N HN 1.030 nan 8.380 nan 0.000 0.426 584 S N -1.446 114.201 115.700 -0.088 0.000 2.564 584 S HA 0.632 5.102 4.470 -0.001 0.000 0.274 584 S C -1.637 172.823 174.600 -0.233 0.000 1.124 584 S CA -0.965 57.217 58.200 -0.031 0.000 0.869 584 S CB 1.498 64.692 63.200 -0.010 0.000 1.105 584 S HN 0.199 nan 8.310 nan 0.000 0.472 585 W N 0.720 122.057 121.300 0.062 0.000 2.915 585 W HA 0.703 5.362 4.660 -0.001 0.000 0.337 585 W C -0.205 176.323 176.519 0.014 0.000 1.102 585 W CA -0.559 56.817 57.345 0.052 0.000 1.224 585 W CB 2.106 31.600 29.460 0.056 0.000 1.416 585 W HN 0.776 nan 8.180 nan 0.000 0.503 586 K N 1.788 122.327 120.400 0.232 0.000 2.443 586 K HA 0.569 4.888 4.320 -0.001 0.000 0.252 586 K C -0.946 175.717 176.600 0.104 0.000 0.933 586 K CA -0.734 55.626 56.287 0.123 0.000 0.792 586 K CB 1.788 34.323 32.500 0.057 0.000 1.185 586 K HN 0.329 nan 8.250 nan 0.000 0.425 587 V N 3.793 123.734 119.914 0.046 0.000 2.599 587 V HA -0.051 4.068 4.120 -0.001 0.000 0.300 587 V C 0.220 176.308 176.094 -0.010 0.000 1.034 587 V CA -0.493 61.801 62.300 -0.009 0.000 1.115 587 V CB 0.067 31.860 31.823 -0.050 0.000 0.934 587 V HN 0.818 nan 8.190 nan 0.000 0.485 588 C N 5.131 124.413 119.300 -0.030 0.000 2.648 588 C HA 0.341 4.800 4.460 -0.001 0.000 0.419 588 C C 1.364 176.333 174.990 -0.036 0.000 1.352 588 C CA -0.465 58.560 59.018 0.013 0.000 1.816 588 C CB -0.691 27.039 27.740 -0.017 0.000 2.598 588 C HN 1.039 nan 8.230 nan 0.000 0.598 589 T N 0.736 115.320 114.554 0.050 0.000 2.918 589 T HA 0.219 4.568 4.350 -0.001 0.000 0.302 589 T C 0.564 175.252 174.700 -0.021 0.000 1.045 589 T CA 0.058 62.167 62.100 0.015 0.000 1.114 589 T CB 0.024 68.924 68.868 0.052 0.000 0.965 589 T HN 0.906 nan 8.240 nan 0.000 0.540 590 N N -0.309 118.350 118.700 -0.069 0.000 2.936 590 N HA -0.153 4.586 4.740 -0.001 0.000 0.236 590 N C -0.054 175.204 175.510 -0.419 0.000 0.930 590 N CA 0.951 53.943 53.050 -0.097 0.000 0.966 590 N CB -1.352 37.191 38.487 0.094 0.000 1.090 590 N HN 0.590 nan 8.380 nan 0.000 0.592 591 L N -0.647 120.209 121.223 -0.611 0.000 2.687 591 L HA 0.844 5.183 4.340 -0.001 0.000 0.252 591 L C 1.141 177.336 176.870 -1.126 0.000 1.115 591 L CA -0.364 53.785 54.840 -1.152 0.000 0.893 591 L CB 0.990 42.414 42.059 -1.058 0.000 1.670 591 L HN 0.144 nan 8.230 nan 0.000 0.531 592 G N -0.935 107.048 108.800 -1.363 0.000 2.349 592 G HA2 0.287 4.247 3.960 -0.001 0.000 0.294 592 G HA3 0.287 4.247 3.960 -0.001 0.000 0.294 592 G C -1.321 173.347 174.900 -0.386 0.000 1.380 592 G CA -0.992 43.709 45.100 -0.664 0.000 0.811 592 G HN 0.272 nan 8.290 nan 0.000 0.519 593 M N 1.012 120.538 119.600 -0.123 0.000 2.255 593 M HA 0.267 4.746 4.480 -0.001 0.000 0.356 593 M C 1.594 177.922 176.300 0.047 0.000 1.338 593 M CA 2.448 57.714 55.300 -0.057 0.000 0.962 593 M CB 0.170 32.749 32.600 -0.034 0.000 1.877 593 M HN 1.982 nan 8.290 nan 0.000 0.463 594 G N 1.643 110.446 108.800 0.005 0.000 2.199 594 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.254 594 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.254 594 G C 0.245 175.207 174.900 0.103 0.000 0.982 594 G CA -0.012 45.123 45.100 0.058 0.000 0.632 594 G HN 1.112 nan 8.290 nan 0.000 0.529 595 A N -0.150 122.696 122.820 0.044 0.000 2.531 595 A HA 0.548 4.867 4.320 -0.001 0.000 0.236 595 A C 0.513 178.105 177.584 0.012 0.000 1.062 595 A CA 0.814 52.853 52.037 0.003 0.000 0.760 595 A CB 0.723 19.502 19.000 -0.370 0.000 0.995 595 A HN 1.189 nan 8.150 nan 0.000 0.501 596 V N 4.327 124.296 119.914 0.090 0.000 2.328 596 V HA 0.358 4.477 4.120 -0.001 0.000 0.278 596 V C -0.160 176.007 176.094 0.122 0.000 1.021 596 V CA -0.342 62.025 62.300 0.112 0.000 0.838 596 V CB 1.045 32.958 31.823 0.150 0.000 0.999 596 V HN 0.633 nan 8.190 nan 0.000 0.447 597 V N 4.089 124.072 119.914 0.115 0.000 2.581 597 V HA 0.943 5.062 4.120 -0.001 0.000 0.303 597 V C 0.239 176.499 176.094 0.277 0.000 1.041 597 V CA -0.332 62.069 62.300 0.168 0.000 0.907 597 V CB 1.797 33.681 31.823 0.102 0.000 0.994 597 V HN 0.976 nan 8.190 nan 0.000 0.442 598 A N 2.888 125.941 122.820 0.388 0.000 2.539 598 A HA 0.872 5.191 4.320 -0.001 0.000 0.296 598 A C -0.299 177.518 177.584 0.388 0.000 1.073 598 A CA -0.448 51.821 52.037 0.386 0.000 0.700 598 A CB 1.992 21.226 19.000 0.390 0.000 1.296 598 A HN 1.007 nan 8.150 nan 0.000 0.405 599 S N 0.567 116.357 115.700 0.150 0.000 2.585 599 S HA 0.540 5.009 4.470 -0.001 0.000 0.277 599 S C -0.279 174.288 174.600 -0.055 0.000 1.241 599 S CA -0.424 57.572 58.200 -0.340 0.000 1.041 599 S CB 1.142 63.979 63.200 -0.605 0.000 0.987 599 S HN 0.738 nan 8.310 nan 0.000 0.512 600 D N -0.147 120.166 120.400 -0.144 0.000 2.399 600 D HA 0.156 4.795 4.640 -0.001 0.000 0.241 600 D C 1.038 177.329 176.300 -0.016 0.000 1.133 600 D CA -0.291 53.782 54.000 0.120 0.000 0.890 600 D CB 0.647 41.495 40.800 0.079 0.000 1.201 600 D HN 0.395 nan 8.370 nan 0.000 0.432 601 R N 2.498 123.025 120.500 0.045 0.000 2.317 601 R HA 0.095 4.434 4.340 -0.001 0.000 0.208 601 R C 0.595 176.894 176.300 -0.001 0.000 0.914 601 R CA 0.181 56.282 56.100 0.002 0.000 1.060 601 R CB 0.289 30.601 30.300 0.019 0.000 1.015 601 R HN 0.345 nan 8.270 nan 0.000 0.498 602 V N -0.117 119.799 119.914 0.005 0.000 2.996 602 V HA 0.101 4.221 4.120 -0.001 0.000 0.235 602 V C 0.401 176.492 176.094 -0.005 0.000 1.205 602 V CA 0.140 62.441 62.300 0.002 0.000 1.225 602 V CB 0.143 31.970 31.823 0.007 0.000 0.995 602 V HN 0.112 nan 8.190 nan 0.000 0.484 603 N N 1.326 120.021 118.700 -0.007 0.000 2.501 603 N HA 0.270 5.009 4.740 -0.001 0.000 0.245 603 N C 1.010 176.483 175.510 -0.062 0.000 0.974 603 N CA 0.473 53.513 53.050 -0.017 0.000 0.941 603 N CB 1.653 40.145 38.487 0.007 0.000 1.122 603 N HN 0.229 nan 8.380 nan 0.000 0.507 604 G N 2.827 111.599 108.800 -0.047 0.000 2.501 604 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.220 604 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.220 604 G C 1.303 176.208 174.900 0.008 0.000 1.114 604 G CA 0.605 45.678 45.100 -0.045 0.000 0.757 604 G HN 0.475 nan 8.290 nan 0.000 0.559 605 K N 0.261 120.664 120.400 0.006 0.000 2.366 605 K HA 0.085 4.404 4.320 -0.001 0.000 0.198 605 K C 0.702 177.325 176.600 0.038 0.000 1.044 605 K CA 0.374 56.686 56.287 0.042 0.000 0.973 605 K CB 0.212 32.719 32.500 0.011 0.000 0.767 605 K HN 0.265 nan 8.250 nan 0.000 0.475 606 K N 0.480 120.832 120.400 -0.080 0.000 2.211 606 K HA 0.333 4.653 4.320 -0.001 0.000 0.275 606 K C -0.704 175.629 176.600 -0.445 0.000 1.024 606 K CA -0.285 55.873 56.287 -0.215 0.000 0.887 606 K CB 0.862 33.242 32.500 -0.200 0.000 1.084 606 K HN -0.210 nan 8.250 nan 0.000 0.463 607 F N 1.454 121.106 119.950 -0.496 0.000 2.603 607 F HA 0.452 4.979 4.527 -0.001 0.000 0.317 607 F C -0.641 174.885 175.800 -0.457 0.000 1.066 607 F CA -0.876 56.913 58.000 -0.353 0.000 0.941 607 F CB 1.444 40.434 39.000 -0.016 0.000 1.291 607 F HN 0.344 nan 8.300 nan 0.000 0.472 608 Y N 0.658 121.270 120.300 0.520 0.000 2.536 608 Y HA 0.795 5.344 4.550 -0.002 0.000 0.347 608 Y C -0.381 175.658 175.900 0.233 0.000 1.000 608 Y CA -1.434 56.877 58.100 0.353 0.000 1.051 608 Y CB 2.045 40.755 38.460 0.416 0.000 1.259 608 Y HN 0.642 nan 8.280 nan 0.000 0.468 609 A N 2.066 124.895 122.820 0.016 0.000 2.488 609 A HA 0.693 5.012 4.320 -0.001 0.000 0.298 609 A C -2.267 175.214 177.584 -0.171 0.000 1.044 609 A CA -0.599 51.378 52.037 -0.100 0.000 0.693 609 A CB 0.949 19.718 19.000 -0.385 0.000 1.272 609 A HN 0.648 nan 8.150 nan 0.000 0.402 610 F N 2.501 122.413 119.950 -0.063 0.000 2.411 610 F HA 0.681 5.207 4.527 -0.002 0.000 0.352 610 F C -1.086 174.798 175.800 0.140 0.000 1.123 610 F CA -0.191 57.853 58.000 0.073 0.000 1.044 610 F CB 1.204 40.267 39.000 0.105 0.000 1.135 610 F HN 0.617 nan 8.300 nan 0.000 0.461 611 Y N 6.229 126.415 120.300 -0.191 0.000 2.358 611 Y HA 0.268 4.817 4.550 -0.001 0.000 0.324 611 Y C -0.409 175.413 175.900 -0.130 0.000 1.123 611 Y CA -1.650 56.374 58.100 -0.126 0.000 1.067 611 Y CB 0.723 39.003 38.460 -0.300 0.000 1.230 611 Y HN 0.674 nan 8.280 nan 0.000 0.429 612 N N 4.257 122.638 118.700 -0.531 0.000 2.705 612 N HA -0.183 4.556 4.740 -0.001 0.000 0.255 612 N C 0.974 176.288 175.510 -0.327 0.000 1.008 612 N CA 1.950 54.707 53.050 -0.487 0.000 0.742 612 N CB -1.152 36.888 38.487 -0.745 0.000 0.906 612 N HN 1.601 nan 8.380 nan 0.000 0.541 613 G N -1.661 106.958 108.800 -0.303 0.000 2.168 613 G HA2 -0.373 3.587 3.960 -0.001 0.000 0.263 613 G HA3 -0.373 3.587 3.960 -0.001 0.000 0.263 613 G C 0.081 174.652 174.900 -0.549 0.000 0.977 613 G CA 1.119 46.039 45.100 -0.300 0.000 0.659 613 G HN 0.594 nan 8.290 nan 0.000 0.533 614 K N -1.026 118.964 120.400 -0.683 0.000 2.340 614 K HA 0.703 5.022 4.320 -0.001 0.000 0.244 614 K C -1.145 175.118 176.600 -0.563 0.000 0.973 614 K CA -1.023 54.954 56.287 -0.518 0.000 0.828 614 K CB 1.884 34.177 32.500 -0.344 0.000 1.226 614 K HN 0.042 nan 8.250 nan 0.000 0.437 615 F N 1.638 121.306 119.950 -0.470 0.000 2.450 615 F HA 0.430 4.956 4.527 -0.001 0.000 0.332 615 F C -1.128 174.552 175.800 -0.199 0.000 1.093 615 F CA -0.285 57.621 58.000 -0.156 0.000 1.003 615 F CB 0.810 39.846 39.000 0.060 0.000 1.151 615 F HN 0.379 nan 8.300 nan 0.000 0.474 616 Y N 5.945 126.009 120.300 -0.393 0.000 2.499 616 Y HA 0.595 5.144 4.550 -0.001 0.000 0.347 616 Y C -0.688 175.242 175.900 0.051 0.000 0.987 616 Y CA -1.006 57.064 58.100 -0.050 0.000 1.044 616 Y CB 2.024 40.517 38.460 0.056 0.000 1.245 616 Y HN 0.483 nan 8.280 nan 0.000 0.461 617 I N 1.502 122.262 120.570 0.317 0.000 2.569 617 I HA 0.548 4.717 4.170 -0.001 0.000 0.296 617 I C -0.976 175.084 176.117 -0.094 0.000 1.028 617 I CA -0.385 61.037 61.300 0.203 0.000 1.082 617 I CB 1.639 39.778 38.000 0.231 0.000 1.264 617 I HN 0.584 nan 8.210 nan 0.000 0.429 618 S N 3.034 118.461 115.700 -0.454 0.000 2.472 618 S HA 0.482 4.951 4.470 -0.001 0.000 0.303 618 S C 0.334 174.778 174.600 -0.261 0.000 1.099 618 S CA -0.191 57.632 58.200 -0.628 0.000 1.077 618 S CB 1.155 63.602 63.200 -1.254 0.000 1.031 618 S HN 0.736 nan 8.310 nan 0.000 0.487 619 T N -0.039 114.424 114.554 -0.152 0.000 3.132 619 T HA 0.237 4.586 4.350 -0.001 0.000 0.274 619 T C -0.060 174.612 174.700 -0.047 0.000 1.011 619 T CA -0.167 61.897 62.100 -0.059 0.000 0.899 619 T CB -0.206 68.662 68.868 0.000 0.000 1.089 619 T HN 0.612 nan 8.240 nan 0.000 0.543 620 D N 0.440 120.790 120.400 -0.082 0.000 2.623 620 D HA 0.348 4.987 4.640 -0.001 0.000 0.252 620 D C 1.367 177.638 176.300 -0.047 0.000 1.294 620 D CA -0.287 53.679 54.000 -0.056 0.000 0.824 620 D CB -0.281 40.483 40.800 -0.060 0.000 1.070 620 D HN 0.379 nan 8.370 nan 0.000 0.487 621 G N -0.486 108.322 108.800 0.012 0.000 2.143 621 G HA2 -0.034 3.926 3.960 -0.001 0.000 0.248 621 G HA3 -0.034 3.926 3.960 -0.001 0.000 0.248 621 G C 1.132 175.924 174.900 -0.181 0.000 0.991 621 G CA 0.344 45.503 45.100 0.099 0.000 0.689 621 G HN 1.462 nan 8.290 nan 0.000 0.522 622 G N -1.461 107.138 108.800 -0.335 0.000 2.201 622 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.212 622 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.212 622 G C 1.286 176.084 174.900 -0.170 0.000 0.994 622 G CA 0.617 45.426 45.100 -0.485 0.000 0.644 622 G HN 1.153 nan 8.290 nan 0.000 0.508 623 L N 1.050 122.187 121.223 -0.143 0.000 2.017 623 L HA 0.177 4.516 4.340 -0.001 0.000 0.208 623 L C 1.829 178.696 176.870 -0.004 0.000 1.073 623 L CA 1.956 56.765 54.840 -0.052 0.000 0.745 623 L CB -0.463 41.567 42.059 -0.049 0.000 0.894 623 L HN 0.606 nan 8.230 nan 0.000 0.432 624 T N -3.100 111.412 114.554 -0.070 0.000 2.876 624 T HA 0.570 4.919 4.350 -0.001 0.000 0.289 624 T C -0.845 173.791 174.700 -0.106 0.000 1.014 624 T CA -0.566 61.535 62.100 0.001 0.000 0.986 624 T CB 1.851 70.721 68.868 0.003 0.000 1.021 624 T HN -0.143 nan 8.240 nan 0.000 0.458 625 F N 0.761 120.716 119.950 0.008 0.000 2.522 625 F HA 0.663 5.189 4.527 -0.001 0.000 0.324 625 F C 0.516 176.419 175.800 0.173 0.000 1.077 625 F CA -0.650 57.393 58.000 0.072 0.000 0.944 625 F CB 2.887 41.890 39.000 0.005 0.000 1.175 625 F HN 0.633 nan 8.300 nan 0.000 0.468 626 T N 1.125 115.896 114.554 0.362 0.000 2.848 626 T HA 0.142 4.491 4.350 -0.001 0.000 0.285 626 T C -1.198 173.588 174.700 0.143 0.000 0.995 626 T CA -0.734 61.522 62.100 0.260 0.000 0.970 626 T CB 1.450 70.409 68.868 0.151 0.000 0.976 626 T HN 0.405 nan 8.240 nan 0.000 0.441 627 D N 2.323 122.681 120.400 -0.070 0.000 2.472 627 D HA -0.004 4.635 4.640 -0.001 0.000 0.248 627 D C 1.547 177.723 176.300 -0.206 0.000 1.174 627 D CA 0.261 53.978 54.000 -0.472 0.000 0.883 627 D CB 1.015 41.586 40.800 -0.382 0.000 1.149 627 D HN 0.649 nan 8.370 nan 0.000 0.488 628 T N 0.782 115.194 114.554 -0.236 0.000 3.085 628 T HA -0.070 4.279 4.350 -0.001 0.000 0.263 628 T C 0.895 175.563 174.700 -0.053 0.000 1.127 628 T CA 0.187 62.112 62.100 -0.292 0.000 1.103 628 T CB -0.266 68.277 68.868 -0.540 0.000 0.921 628 T HN 0.669 nan 8.240 nan 0.000 0.510 629 K N 0.598 120.961 120.400 -0.061 0.000 3.117 629 K HA -0.118 4.201 4.320 -0.001 0.000 0.269 629 K C 0.206 176.831 176.600 0.042 0.000 1.098 629 K CA 0.069 56.352 56.287 -0.007 0.000 0.785 629 K CB -2.383 30.138 32.500 0.035 0.000 1.242 629 K HN 0.702 nan 8.250 nan 0.000 0.491 630 A N 1.339 124.188 122.820 0.049 0.000 2.545 630 A HA 0.157 4.476 4.320 -0.001 0.000 0.253 630 A C -0.320 177.311 177.584 0.078 0.000 1.074 630 A CA -0.753 51.346 52.037 0.103 0.000 0.760 630 A CB 0.111 19.221 19.000 0.183 0.000 1.005 630 A HN 0.158 nan 8.150 nan 0.000 0.506 631 P HA -0.064 nan 4.420 nan 0.000 0.225 631 P C -0.009 177.346 177.300 0.091 0.000 1.156 631 P CA 1.095 64.240 63.100 0.075 0.000 0.787 631 P CB 0.301 32.046 31.700 0.076 0.000 0.802 632 Q N -0.185 119.698 119.800 0.138 0.000 2.290 632 Q HA 0.641 4.980 4.340 -0.001 0.000 0.269 632 Q C -0.941 175.140 176.000 0.134 0.000 1.016 632 Q CA -0.229 55.693 55.803 0.199 0.000 0.754 632 Q CB 2.328 31.249 28.738 0.305 0.000 1.247 632 Q HN 0.019 nan 8.270 nan 0.000 0.451 633 L N 2.790 123.940 121.223 -0.122 0.000 2.415 633 L HA 0.687 5.027 4.340 -0.001 0.000 0.256 633 L C -2.312 174.103 176.870 -0.757 0.000 1.010 633 L CA -2.201 52.278 54.840 -0.602 0.000 0.826 633 L CB 2.437 44.347 42.059 -0.249 0.000 1.405 633 L HN 0.483 nan 8.230 nan 0.000 0.410 634 P HA 0.151 nan 4.420 nan 0.000 0.274 634 P C -0.335 176.867 177.300 -0.162 0.000 1.246 634 P CA -0.465 62.290 63.100 -0.576 0.000 0.795 634 P CB 0.983 32.230 31.700 -0.754 0.000 1.006 635 K N -0.130 120.241 120.400 -0.047 0.000 2.097 635 K HA 0.013 4.332 4.320 -0.001 0.000 0.205 635 K C 1.172 177.832 176.600 0.101 0.000 1.050 635 K CA 1.311 57.617 56.287 0.032 0.000 0.938 635 K CB -0.349 32.164 32.500 0.022 0.000 0.718 635 K HN 0.728 nan 8.250 nan 0.000 0.442 636 S N -0.912 114.778 115.700 -0.017 0.000 2.638 636 S HA 0.578 5.048 4.470 -0.001 0.000 0.274 636 S C -0.544 173.825 174.600 -0.385 0.000 1.157 636 S CA -0.937 57.230 58.200 -0.055 0.000 0.826 636 S CB 2.064 65.263 63.200 -0.001 0.000 1.139 636 S HN -0.025 nan 8.310 nan 0.000 0.474 637 V N -0.614 119.028 119.914 -0.454 0.000 2.962 637 V HA 0.692 4.812 4.120 -0.001 0.000 0.313 637 V C 0.349 176.343 176.094 -0.167 0.000 1.099 637 V CA -0.722 61.315 62.300 -0.438 0.000 0.971 637 V CB 1.594 32.975 31.823 -0.737 0.000 1.028 637 V HN 0.961 nan 8.190 nan 0.000 0.430 638 N N 1.671 120.319 118.700 -0.086 0.000 2.278 638 N HA 0.158 4.897 4.740 -0.001 0.000 0.181 638 N C 0.236 175.751 175.510 0.009 0.000 1.023 638 N CA 1.087 54.129 53.050 -0.014 0.000 0.862 638 N CB 0.258 38.764 38.487 0.031 0.000 1.003 638 N HN 0.744 nan 8.380 nan 0.000 0.431 639 K N 0.170 120.583 120.400 0.022 0.000 2.477 639 K HA 0.367 4.686 4.320 -0.001 0.000 0.255 639 K C -0.857 175.810 176.600 0.112 0.000 0.952 639 K CA -0.689 55.644 56.287 0.075 0.000 0.826 639 K CB 2.476 35.030 32.500 0.090 0.000 1.331 639 K HN 0.247 nan 8.250 nan 0.000 0.437 640 I N -2.215 118.467 120.570 0.186 0.000 2.689 640 I HA 0.638 4.808 4.170 -0.001 0.000 0.299 640 I C -1.101 175.219 176.117 0.338 0.000 1.059 640 I CA -0.688 60.786 61.300 0.290 0.000 1.055 640 I CB 2.599 40.819 38.000 0.367 0.000 1.243 640 I HN 0.440 nan 8.210 nan 0.000 0.425 641 K N 4.179 124.840 120.400 0.435 0.000 2.543 641 K HA 0.766 5.085 4.320 -0.001 0.000 0.255 641 K C -1.464 175.472 176.600 0.560 0.000 0.934 641 K CA -0.563 56.007 56.287 0.470 0.000 0.810 641 K CB 2.322 35.096 32.500 0.457 0.000 1.315 641 K HN 0.953 nan 8.250 nan 0.000 0.433 642 A N 2.369 125.451 122.820 0.437 0.000 2.279 642 A HA 0.586 4.905 4.320 -0.001 0.000 0.303 642 A C -0.687 177.020 177.584 0.204 0.000 1.108 642 A CA -0.609 51.627 52.037 0.332 0.000 0.830 642 A CB 1.047 20.237 19.000 0.316 0.000 1.106 642 A HN 0.378 nan 8.150 nan 0.000 0.493 643 V N 2.704 122.623 119.914 0.009 0.000 2.407 643 V HA 0.291 4.410 4.120 -0.001 0.000 0.278 643 V C -2.262 173.726 176.094 -0.176 0.000 1.037 643 V CA -1.566 60.525 62.300 -0.349 0.000 0.900 643 V CB 1.079 32.594 31.823 -0.515 0.000 0.983 643 V HN 0.749 nan 8.190 nan 0.000 0.459 644 P HA 0.167 nan 4.420 nan 0.000 0.262 644 P C 1.008 178.230 177.300 -0.130 0.000 1.182 644 P CA 1.375 64.442 63.100 -0.054 0.000 0.761 644 P CB 0.535 32.254 31.700 0.031 0.000 0.795 645 G N 1.867 110.613 108.800 -0.090 0.000 2.184 645 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.264 645 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.264 645 G C 0.029 174.824 174.900 -0.176 0.000 0.975 645 G CA -0.076 44.956 45.100 -0.113 0.000 0.642 645 G HN 0.535 nan 8.290 nan 0.000 0.536 646 K N 0.970 121.236 120.400 -0.223 0.000 2.626 646 K HA 0.294 4.613 4.320 -0.001 0.000 0.223 646 K C -0.102 176.413 176.600 -0.142 0.000 0.992 646 K CA -0.585 55.491 56.287 -0.352 0.000 1.024 646 K CB 1.468 33.507 32.500 -0.768 0.000 1.225 646 K HN 0.558 nan 8.250 nan 0.000 0.498 647 E N 0.286 120.469 120.200 -0.029 0.000 2.465 647 E HA 0.065 4.415 4.350 -0.001 0.000 0.260 647 E C 0.818 177.545 176.600 0.212 0.000 0.980 647 E CA 1.173 57.632 56.400 0.099 0.000 0.927 647 E CB 0.235 29.984 29.700 0.082 0.000 0.934 647 E HN 0.774 nan 8.360 nan 0.000 0.459 648 G N 3.890 112.860 108.800 0.284 0.000 2.179 648 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.260 648 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.260 648 G C -0.320 174.665 174.900 0.142 0.000 0.977 648 G CA 0.422 45.677 45.100 0.259 0.000 0.641 648 G HN 0.705 nan 8.290 nan 0.000 0.533 649 H N -0.098 118.976 119.070 0.006 0.000 2.782 649 H HA 0.583 5.138 4.556 -0.001 0.000 0.285 649 H C 0.019 175.367 175.328 0.033 0.000 1.093 649 H CA -0.081 55.976 56.048 0.014 0.000 1.410 649 H CB 1.247 31.104 29.762 0.158 0.000 1.439 649 H HN 0.222 nan 8.280 nan 0.000 0.469 650 V N 4.265 124.165 119.914 -0.023 0.000 2.638 650 V HA 0.278 4.397 4.120 -0.001 0.000 0.306 650 V C -0.879 175.342 176.094 0.211 0.000 1.052 650 V CA -1.014 61.353 62.300 0.111 0.000 0.885 650 V CB 1.488 33.236 31.823 -0.125 0.000 0.999 650 V HN 0.673 nan 8.190 nan 0.000 0.424 651 W N 4.168 125.693 121.300 0.374 0.000 2.666 651 W HA 0.797 5.455 4.660 -0.002 0.000 0.334 651 W C -0.643 176.086 176.519 0.349 0.000 1.051 651 W CA -0.604 56.995 57.345 0.422 0.000 1.224 651 W CB 1.544 31.315 29.460 0.518 0.000 1.405 651 W HN 0.316 nan 8.180 nan 0.000 0.513 652 L N 3.527 125.034 121.223 0.474 0.000 2.313 652 L HA 0.711 5.050 4.340 -0.001 0.000 0.283 652 L C 0.193 177.206 176.870 0.239 0.000 1.013 652 L CA -1.211 53.757 54.840 0.214 0.000 0.816 652 L CB 1.254 43.235 42.059 -0.131 0.000 1.236 652 L HN 0.532 nan 8.230 nan 0.000 0.419 653 A N 2.678 125.585 122.820 0.145 0.000 2.341 653 A HA 0.658 4.977 4.320 -0.001 0.000 0.326 653 A C 0.626 178.219 177.584 0.015 0.000 1.402 653 A CA -0.282 51.822 52.037 0.111 0.000 0.957 653 A CB 0.727 19.790 19.000 0.104 0.000 1.151 653 A HN 0.847 nan 8.150 nan 0.000 0.533 654 A N 3.260 126.094 122.820 0.022 0.000 2.507 654 A HA 0.483 4.802 4.320 -0.001 0.000 0.270 654 A C 1.207 178.780 177.584 -0.017 0.000 1.318 654 A CA 0.019 52.024 52.037 -0.053 0.000 0.924 654 A CB -0.370 18.594 19.000 -0.060 0.000 1.061 654 A HN 1.024 nan 8.150 nan 0.000 0.516 655 R N -0.639 119.846 120.500 -0.024 0.000 3.835 655 R HA -0.264 4.075 4.340 -0.001 0.000 0.455 655 R C 0.757 176.997 176.300 -0.099 0.000 0.241 655 R CA 1.867 57.927 56.100 -0.067 0.000 1.439 655 R CB -1.094 29.266 30.300 0.099 0.000 0.987 655 R HN 0.569 nan 8.270 nan 0.000 0.570 656 E N 0.760 120.938 120.200 -0.037 0.000 2.401 656 E HA -0.080 4.269 4.350 -0.001 0.000 0.199 656 E C 1.721 178.327 176.600 0.009 0.000 1.023 656 E CA 0.824 57.209 56.400 -0.025 0.000 0.859 656 E CB -0.188 29.517 29.700 0.008 0.000 0.780 656 E HN 0.638 nan 8.360 nan 0.000 0.523 657 G N 0.780 109.606 108.800 0.043 0.000 2.776 657 G HA2 0.183 4.143 3.960 -0.001 0.000 0.209 657 G HA3 0.183 4.143 3.960 -0.001 0.000 0.209 657 G C 0.758 175.811 174.900 0.254 0.000 1.145 657 G CA 0.312 45.492 45.100 0.134 0.000 0.791 657 G HN 0.456 nan 8.290 nan 0.000 0.530 658 G N -1.030 107.839 108.800 0.114 0.000 2.587 658 G HA2 0.092 4.051 3.960 -0.001 0.000 0.212 658 G HA3 0.092 4.051 3.960 -0.001 0.000 0.212 658 G C -0.944 174.043 174.900 0.145 0.000 1.327 658 G CA -0.213 44.917 45.100 0.049 0.000 0.898 658 G HN 0.976 nan 8.290 nan 0.000 0.551 659 L N -0.692 120.561 121.223 0.051 0.000 2.362 659 L HA 0.921 5.260 4.340 -0.001 0.000 0.275 659 L C -1.193 175.762 176.870 0.143 0.000 0.998 659 L CA -0.864 54.104 54.840 0.214 0.000 0.820 659 L CB 1.411 43.575 42.059 0.174 0.000 1.270 659 L HN 0.693 nan 8.230 nan 0.000 0.415 660 W N 4.617 125.992 121.300 0.126 0.000 2.864 660 W HA 0.774 5.433 4.660 -0.002 0.000 0.343 660 W C -0.598 175.916 176.519 -0.008 0.000 1.109 660 W CA -0.642 56.739 57.345 0.060 0.000 1.192 660 W CB 1.487 30.941 29.460 -0.011 0.000 1.426 660 W HN 0.536 nan 8.180 nan 0.000 0.529 661 R N 0.601 121.097 120.500 -0.006 0.000 2.673 661 R HA 0.858 5.197 4.340 -0.001 0.000 0.281 661 R C -1.090 174.933 176.300 -0.462 0.000 0.991 661 R CA -0.777 54.968 56.100 -0.591 0.000 0.896 661 R CB 2.142 31.521 30.300 -1.535 0.000 1.201 661 R HN 0.316 nan 8.270 nan 0.000 0.457 662 S N 0.089 115.321 115.700 -0.780 0.000 2.536 662 S HA 0.391 4.860 4.470 -0.001 0.000 0.298 662 S C 0.152 174.324 174.600 -0.713 0.000 1.083 662 S CA -0.269 57.352 58.200 -0.965 0.000 0.995 662 S CB 1.777 63.969 63.200 -1.680 0.000 1.058 662 S HN 0.768 nan 8.310 nan 0.000 0.488 663 T N -0.531 113.664 114.554 -0.599 0.000 3.091 663 T HA 0.249 4.598 4.350 -0.001 0.000 0.277 663 T C -0.074 174.471 174.700 -0.259 0.000 0.996 663 T CA 0.002 61.723 62.100 -0.632 0.000 0.897 663 T CB -0.211 68.251 68.868 -0.676 0.000 1.109 663 T HN 0.609 nan 8.240 nan 0.000 0.534 664 D N 0.556 120.824 120.400 -0.220 0.000 2.696 664 D HA 0.343 4.982 4.640 -0.001 0.000 0.269 664 D C 1.373 177.731 176.300 0.096 0.000 1.319 664 D CA -0.258 53.717 54.000 -0.041 0.000 0.826 664 D CB -0.280 40.499 40.800 -0.036 0.000 1.086 664 D HN 0.395 nan 8.370 nan 0.000 0.481 665 G N -0.267 108.552 108.800 0.031 0.000 2.143 665 G HA2 -0.049 3.911 3.960 -0.001 0.000 0.248 665 G HA3 -0.049 3.911 3.960 -0.001 0.000 0.248 665 G C 1.137 176.118 174.900 0.135 0.000 0.991 665 G CA 0.322 45.554 45.100 0.220 0.000 0.689 665 G HN 1.463 nan 8.290 nan 0.000 0.522 666 G N -2.216 106.386 108.800 -0.331 0.000 2.157 666 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.239 666 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.239 666 G C 0.796 175.509 174.900 -0.313 0.000 0.982 666 G CA 0.809 45.486 45.100 -0.705 0.000 0.650 666 G HN 0.940 nan 8.290 nan 0.000 0.527 667 Y N 1.435 121.667 120.300 -0.113 0.000 2.314 667 Y HA 0.218 4.768 4.550 -0.001 0.000 0.293 667 Y C 2.076 177.947 175.900 -0.049 0.000 1.129 667 Y CA 1.963 60.055 58.100 -0.013 0.000 1.201 667 Y CB 0.405 38.867 38.460 0.003 0.000 0.999 667 Y HN 0.544 nan 8.280 nan 0.000 0.541 668 T N -2.772 111.747 114.554 -0.059 0.000 2.916 668 T HA 0.588 4.937 4.350 -0.001 0.000 0.298 668 T C -1.048 173.484 174.700 -0.281 0.000 1.031 668 T CA -0.724 61.342 62.100 -0.056 0.000 0.993 668 T CB 1.420 70.272 68.868 -0.028 0.000 1.045 668 T HN -0.126 nan 8.240 nan 0.000 0.454 669 F N 0.816 120.752 119.950 -0.024 0.000 2.546 669 F HA 0.619 5.146 4.527 0.000 0.000 0.320 669 F C 0.336 176.194 175.800 0.096 0.000 1.076 669 F CA -0.856 57.157 58.000 0.021 0.000 0.928 669 F CB 2.246 41.321 39.000 0.125 0.000 1.189 669 F HN 0.755 nan 8.300 nan 0.000 0.465 670 E N 3.354 123.663 120.200 0.180 0.000 2.187 670 E HA 0.216 4.565 4.350 -0.001 0.000 0.268 670 E C -1.222 175.274 176.600 -0.173 0.000 0.896 670 E CA -0.827 55.569 56.400 -0.006 0.000 0.766 670 E CB 1.559 31.194 29.700 -0.109 0.000 1.142 670 E HN 0.590 nan 8.360 nan 0.000 0.408 671 K N 5.038 125.070 120.400 -0.614 0.000 2.312 671 K HA 0.155 4.474 4.320 -0.001 0.000 0.287 671 K C -0.587 175.692 176.600 -0.534 0.000 1.062 671 K CA -0.611 54.986 56.287 -1.149 0.000 0.934 671 K CB 0.447 31.862 32.500 -1.809 0.000 1.027 671 K HN 0.411 nan 8.250 nan 0.000 0.478 672 L N 3.954 124.963 121.223 -0.356 0.000 2.462 672 L HA -0.023 4.317 4.340 -0.001 0.000 0.272 672 L C 1.406 178.179 176.870 -0.162 0.000 1.166 672 L CA 0.605 55.366 54.840 -0.132 0.000 0.880 672 L CB 1.240 43.347 42.059 0.080 0.000 1.142 672 L HN 0.782 nan 8.230 nan 0.000 0.473 673 S N 0.595 116.229 115.700 -0.110 0.000 2.562 673 S HA -0.041 4.428 4.470 -0.001 0.000 0.221 673 S C 0.975 175.527 174.600 -0.079 0.000 0.975 673 S CA 0.443 58.578 58.200 -0.108 0.000 0.918 673 S CB -0.423 62.728 63.200 -0.082 0.000 0.772 673 S HN 0.782 nan 8.310 nan 0.000 0.531 674 N N 0.815 119.492 118.700 -0.039 0.000 2.238 674 N HA 0.189 4.928 4.740 -0.001 0.000 0.222 674 N C -0.610 174.773 175.510 -0.212 0.000 1.133 674 N CA -0.319 52.708 53.050 -0.039 0.000 0.854 674 N CB 0.378 38.935 38.487 0.116 0.000 1.041 674 N HN 0.291 nan 8.380 nan 0.000 0.510 675 V N 0.565 120.317 119.914 -0.269 0.000 2.577 675 V HA 0.187 4.307 4.120 -0.001 0.000 0.303 675 V C 0.391 176.307 176.094 -0.298 0.000 1.042 675 V CA -0.817 61.223 62.300 -0.433 0.000 0.872 675 V CB 2.079 33.595 31.823 -0.511 0.000 0.998 675 V HN 0.083 nan 8.190 nan 0.000 0.423 676 D N 2.943 123.164 120.400 -0.297 0.000 2.154 676 D HA -0.011 4.629 4.640 -0.001 0.000 0.211 676 D C 0.373 176.564 176.300 -0.181 0.000 0.977 676 D CA 1.176 55.058 54.000 -0.198 0.000 0.869 676 D CB 0.752 41.453 40.800 -0.166 0.000 1.022 676 D HN 0.555 nan 8.370 nan 0.000 0.461 677 T N 0.006 114.424 114.554 -0.226 0.000 2.824 677 T HA 0.685 5.034 4.350 -0.001 0.000 0.282 677 T C -0.829 173.688 174.700 -0.305 0.000 0.993 677 T CA -0.624 61.326 62.100 -0.250 0.000 0.967 677 T CB 1.951 70.662 68.868 -0.261 0.000 0.960 677 T HN 0.213 nan 8.240 nan 0.000 0.441 678 A N 2.306 124.958 122.820 -0.280 0.000 2.457 678 A HA 0.512 4.832 4.320 -0.001 0.000 0.283 678 A C 0.523 178.006 177.584 -0.168 0.000 1.166 678 A CA -0.617 51.300 52.037 -0.199 0.000 0.740 678 A CB 0.439 19.387 19.000 -0.087 0.000 1.181 678 A HN 0.959 nan 8.150 nan 0.000 0.446 679 H N 1.204 120.291 119.070 0.029 0.000 2.403 679 H HA 0.080 4.635 4.556 -0.001 0.000 0.298 679 H C 0.880 176.217 175.328 0.015 0.000 1.059 679 H CA 2.237 58.295 56.048 0.016 0.000 1.363 679 H CB 0.204 29.971 29.762 0.009 0.000 1.410 679 H HN 0.686 nan 8.280 nan 0.000 0.528 680 V N -2.333 117.661 119.914 0.134 0.000 3.114 680 V HA 0.652 4.771 4.120 -0.001 0.000 0.308 680 V C -0.581 175.545 176.094 0.053 0.000 1.168 680 V CA -1.058 61.290 62.300 0.080 0.000 1.015 680 V CB 2.626 34.480 31.823 0.052 0.000 1.050 680 V HN -0.089 nan 8.190 nan 0.000 0.433 681 V N 1.092 121.013 119.914 0.013 0.000 2.808 681 V HA 1.023 5.142 4.120 -0.001 0.000 0.308 681 V C 0.112 176.031 176.094 -0.292 0.000 1.099 681 V CA 0.758 63.001 62.300 -0.096 0.000 0.920 681 V CB 1.723 33.533 31.823 -0.022 0.000 1.014 681 V HN 1.752 nan 8.190 nan 0.000 0.425 682 G N 4.180 112.691 108.800 -0.482 0.000 2.708 682 G HA2 0.791 4.750 3.960 -0.001 0.000 0.289 682 G HA3 0.791 4.750 3.960 -0.001 0.000 0.289 682 G C -2.055 172.408 174.900 -0.728 0.000 1.416 682 G CA -0.613 44.159 45.100 -0.548 0.000 0.829 682 G HN 0.574 nan 8.290 nan 0.000 0.480 683 F N -0.685 119.390 119.950 0.209 0.000 2.578 683 F HA 0.803 5.330 4.527 0.000 0.000 0.311 683 F C 0.628 176.571 175.800 0.239 0.000 1.094 683 F CA -0.600 57.524 58.000 0.208 0.000 0.923 683 F CB 2.610 41.666 39.000 0.093 0.000 1.230 683 F HN 0.795 nan 8.300 nan 0.000 0.450 684 G N 0.654 109.742 108.800 0.480 0.000 2.798 684 G HA2 0.458 4.417 3.960 -0.001 0.000 0.286 684 G HA3 0.458 4.417 3.960 -0.001 0.000 0.286 684 G C -1.569 173.506 174.900 0.292 0.000 1.389 684 G CA -1.187 44.117 45.100 0.340 0.000 0.894 684 G HN 0.610 nan 8.290 nan 0.000 0.488 685 K N 0.177 120.715 120.400 0.231 0.000 2.550 685 K HA 0.332 4.651 4.320 -0.001 0.000 0.280 685 K C 0.776 177.567 176.600 0.317 0.000 0.987 685 K CA 0.158 56.581 56.287 0.227 0.000 1.048 685 K CB 0.220 32.846 32.500 0.210 0.000 0.879 685 K HN 0.643 nan 8.250 nan 0.000 0.491 686 A N 3.358 126.304 122.820 0.210 0.000 2.531 686 A HA 0.299 4.618 4.320 -0.001 0.000 0.236 686 A C 0.113 177.784 177.584 0.145 0.000 1.062 686 A CA 0.315 52.459 52.037 0.179 0.000 0.760 686 A CB 0.138 19.189 19.000 0.084 0.000 0.995 686 A HN 0.887 nan 8.150 nan 0.000 0.501 687 A N 3.681 126.532 122.820 0.052 0.000 2.425 687 A HA 0.546 4.865 4.320 -0.001 0.000 0.242 687 A C -2.161 175.284 177.584 -0.232 0.000 1.077 687 A CA -1.076 50.743 52.037 -0.363 0.000 0.781 687 A CB -0.643 18.212 19.000 -0.241 0.000 1.020 687 A HN 0.671 nan 8.150 nan 0.000 0.494 688 P HA 0.290 nan 4.420 nan 0.000 0.268 688 P C 0.967 178.205 177.300 -0.103 0.000 1.205 688 P CA 1.550 64.557 63.100 -0.154 0.000 0.771 688 P CB 0.600 32.207 31.700 -0.155 0.000 0.858 689 G N 0.356 109.121 108.800 -0.059 0.000 2.184 689 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.264 689 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.264 689 G C 0.046 174.934 174.900 -0.020 0.000 0.975 689 G CA -0.115 44.963 45.100 -0.036 0.000 0.642 689 G HN 0.554 nan 8.290 nan 0.000 0.536 690 Q N 0.106 119.896 119.800 -0.016 0.000 2.345 690 Q HA 0.468 4.807 4.340 -0.001 0.000 0.268 690 Q C 0.103 176.130 176.000 0.046 0.000 1.054 690 Q CA -0.108 55.706 55.803 0.017 0.000 0.835 690 Q CB 1.707 30.458 28.738 0.021 0.000 1.339 690 Q HN 0.423 nan 8.270 nan 0.000 0.447 691 D N -0.402 120.047 120.400 0.082 0.000 2.424 691 D HA 0.078 4.717 4.640 -0.001 0.000 0.220 691 D C -0.434 175.975 176.300 0.182 0.000 1.150 691 D CA 0.029 54.089 54.000 0.100 0.000 0.831 691 D CB 0.068 40.923 40.800 0.092 0.000 0.981 691 D HN 0.265 nan 8.370 nan 0.000 0.500 692 Y N 0.227 120.542 120.300 0.025 0.000 2.524 692 Y HA 0.402 4.951 4.550 -0.002 0.000 0.347 692 Y C -0.119 175.808 175.900 0.045 0.000 1.005 692 Y CA -1.273 56.848 58.100 0.036 0.000 1.025 692 Y CB 1.807 40.304 38.460 0.063 0.000 1.275 692 Y HN -0.266 nan 8.280 nan 0.000 0.460 693 M N 3.566 123.098 119.600 -0.113 0.000 2.250 693 M HA 0.176 4.655 4.480 -0.001 0.000 0.337 693 M C 0.377 176.814 176.300 0.229 0.000 1.161 693 M CA 0.261 55.593 55.300 0.053 0.000 1.088 693 M CB 0.293 32.875 32.600 -0.031 0.000 1.639 693 M HN 0.796 nan 8.290 nan 0.000 0.447 694 A N 4.663 127.620 122.820 0.229 0.000 2.498 694 A HA 0.432 4.751 4.320 -0.001 0.000 0.239 694 A C -0.271 177.342 177.584 0.050 0.000 1.068 694 A CA -0.089 52.011 52.037 0.105 0.000 0.766 694 A CB -0.145 18.929 19.000 0.124 0.000 1.003 694 A HN 0.795 nan 8.150 nan 0.000 0.497 695 I N 1.504 121.958 120.570 -0.195 0.000 2.441 695 I HA 0.407 4.577 4.170 -0.001 0.000 0.295 695 I C -1.159 174.758 176.117 -0.332 0.000 0.994 695 I CA -0.341 60.869 61.300 -0.149 0.000 1.144 695 I CB 1.487 39.382 38.000 -0.176 0.000 1.314 695 I HN 0.623 nan 8.210 nan 0.000 0.445 696 Y N 6.301 126.615 120.300 0.024 0.000 2.391 696 Y HA 0.685 5.234 4.550 -0.001 0.000 0.341 696 Y C -0.021 175.932 175.900 0.089 0.000 0.965 696 Y CA -0.886 57.282 58.100 0.113 0.000 1.067 696 Y CB 1.855 40.339 38.460 0.040 0.000 1.199 696 Y HN 0.375 nan 8.280 nan 0.000 0.450 697 I N -0.660 120.103 120.570 0.321 0.000 3.074 697 I HA 0.903 5.072 4.170 -0.001 0.000 0.310 697 I C -0.670 175.606 176.117 0.265 0.000 1.153 697 I CA -1.011 60.410 61.300 0.201 0.000 0.993 697 I CB 2.696 40.738 38.000 0.071 0.000 1.237 697 I HN 0.539 nan 8.210 nan 0.000 0.443 698 T N 0.283 114.967 114.554 0.216 0.000 2.912 698 T HA 0.947 5.296 4.350 -0.001 0.000 0.288 698 T C -0.003 174.864 174.700 0.279 0.000 1.030 698 T CA 0.019 62.316 62.100 0.329 0.000 1.020 698 T CB 1.590 70.624 68.868 0.277 0.000 1.056 698 T HN 1.673 nan 8.240 nan 0.000 0.480 699 G N 1.261 110.269 108.800 0.347 0.000 2.384 699 G HA2 0.295 4.255 3.960 -0.001 0.000 0.113 699 G HA3 0.295 4.255 3.960 -0.001 0.000 0.113 699 G C -1.571 173.457 174.900 0.214 0.000 1.224 699 G CA -0.361 44.810 45.100 0.119 0.000 1.126 699 G HN 0.898 nan 8.290 nan 0.000 0.461 700 K N 0.130 120.519 120.400 -0.020 0.000 2.553 700 K HA 0.707 5.026 4.320 -0.001 0.000 0.250 700 K C -1.627 174.753 176.600 -0.367 0.000 0.953 700 K CA -0.708 55.545 56.287 -0.058 0.000 0.800 700 K CB 1.477 33.956 32.500 -0.035 0.000 1.243 700 K HN 0.478 nan 8.250 nan 0.000 0.435 701 I N 3.364 123.636 120.570 -0.496 0.000 2.499 701 I HA 0.194 4.363 4.170 -0.001 0.000 0.288 701 I C -0.701 175.277 176.117 -0.231 0.000 1.048 701 I CA -0.738 60.229 61.300 -0.554 0.000 1.062 701 I CB 2.044 39.437 38.000 -1.013 0.000 1.238 701 I HN 0.803 nan 8.210 nan 0.000 0.426 702 D N 4.655 124.962 120.400 -0.156 0.000 2.697 702 D HA -0.234 4.406 4.640 -0.001 0.000 0.235 702 D C 0.276 176.562 176.300 -0.022 0.000 1.167 702 D CA 0.960 54.921 54.000 -0.066 0.000 0.656 702 D CB -1.056 39.723 40.800 -0.036 0.000 1.025 702 D HN 0.855 nan 8.370 nan 0.000 0.419 703 N N -1.961 116.725 118.700 -0.024 0.000 2.693 703 N HA -0.221 4.518 4.740 -0.001 0.000 0.249 703 N C -0.842 174.695 175.510 0.045 0.000 1.119 703 N CA 1.136 54.192 53.050 0.010 0.000 0.717 703 N CB -0.191 38.303 38.487 0.012 0.000 1.071 703 N HN 0.269 nan 8.380 nan 0.000 0.555 704 V N 1.131 121.091 119.914 0.077 0.000 2.409 704 V HA 0.397 4.516 4.120 -0.001 0.000 0.291 704 V C 0.460 176.704 176.094 0.251 0.000 1.020 704 V CA -0.697 61.696 62.300 0.155 0.000 0.848 704 V CB 1.720 33.676 31.823 0.223 0.000 0.990 704 V HN 0.096 nan 8.190 nan 0.000 0.430 705 L N 4.711 126.030 121.223 0.160 0.000 2.350 705 L HA 0.886 5.225 4.340 -0.001 0.000 0.275 705 L C 0.931 177.817 176.870 0.027 0.000 1.099 705 L CA 0.528 55.462 54.840 0.157 0.000 0.808 705 L CB 1.307 43.422 42.059 0.093 0.000 1.149 705 L HN 0.929 nan 8.230 nan 0.000 0.442 706 G N 1.630 110.434 108.800 0.007 0.000 2.441 706 G HA2 0.161 4.121 3.960 -0.001 0.000 0.222 706 G HA3 0.161 4.121 3.960 -0.001 0.000 0.222 706 G C -1.766 172.950 174.900 -0.308 0.000 1.254 706 G CA -0.788 44.043 45.100 -0.448 0.000 0.959 706 G HN 0.171 nan 8.290 nan 0.000 0.474 707 F N 0.355 119.958 119.950 -0.579 0.000 2.480 707 F HA 0.903 5.430 4.527 -0.001 0.000 0.329 707 F C -0.345 175.077 175.800 -0.630 0.000 1.091 707 F CA -1.806 55.982 58.000 -0.353 0.000 0.972 707 F CB 1.422 40.354 39.000 -0.113 0.000 1.150 707 F HN 0.313 nan 8.300 nan 0.000 0.467 708 F N 0.957 121.082 119.950 0.293 0.000 2.588 708 F HA 0.658 5.185 4.527 -0.001 0.000 0.310 708 F C -0.196 175.810 175.800 0.343 0.000 1.082 708 F CA -1.013 57.143 58.000 0.260 0.000 0.929 708 F CB 2.344 41.442 39.000 0.164 0.000 1.254 708 F HN 0.364 nan 8.300 nan 0.000 0.455 709 R N 0.994 121.771 120.500 0.463 0.000 2.686 709 R HA 0.707 5.046 4.340 -0.001 0.000 0.286 709 R C -1.503 174.797 176.300 -0.000 0.000 0.969 709 R CA -0.476 55.678 56.100 0.088 0.000 0.898 709 R CB 2.093 32.328 30.300 -0.108 0.000 1.183 709 R HN 0.716 nan 8.270 nan 0.000 0.456 710 S N 1.871 117.300 115.700 -0.452 0.000 2.519 710 S HA 0.246 4.715 4.470 -0.001 0.000 0.309 710 S C -0.291 174.073 174.600 -0.392 0.000 1.100 710 S CA -0.731 57.040 58.200 -0.715 0.000 1.059 710 S CB 1.401 63.629 63.200 -1.620 0.000 1.008 710 S HN 0.707 nan 8.310 nan 0.000 0.478 711 D N 2.512 122.783 120.400 -0.215 0.000 2.350 711 D HA 0.058 4.698 4.640 -0.001 0.000 0.213 711 D C -0.179 176.088 176.300 -0.056 0.000 1.031 711 D CA 0.426 54.392 54.000 -0.057 0.000 0.861 711 D CB 0.314 41.130 40.800 0.027 0.000 0.926 711 D HN 0.756 nan 8.370 nan 0.000 0.520 712 D N -0.487 119.826 120.400 -0.145 0.000 2.891 712 D HA 0.368 5.007 4.640 -0.001 0.000 0.332 712 D C 0.579 176.789 176.300 -0.151 0.000 1.369 712 D CA -0.762 53.175 54.000 -0.105 0.000 0.827 712 D CB 0.256 40.997 40.800 -0.099 0.000 1.141 712 D HN -0.046 nan 8.370 nan 0.000 0.464 713 A N -0.197 122.518 122.820 -0.175 0.000 2.872 713 A HA 0.127 4.446 4.320 -0.001 0.000 0.273 713 A C 1.706 179.225 177.584 -0.108 0.000 1.442 713 A CA 1.150 53.022 52.037 -0.276 0.000 0.801 713 A CB -1.986 16.729 19.000 -0.475 0.000 1.031 713 A HN 1.662 nan 8.150 nan 0.000 0.582 714 G N -1.938 106.687 108.800 -0.292 0.000 2.175 714 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.244 714 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.244 714 G C 0.783 175.586 174.900 -0.161 0.000 0.982 714 G CA 1.189 46.147 45.100 -0.236 0.000 0.641 714 G HN 0.960 nan 8.290 nan 0.000 0.527 715 K N 0.125 120.411 120.400 -0.190 0.000 2.057 715 K HA 0.077 4.396 4.320 -0.001 0.000 0.206 715 K C 1.401 177.941 176.600 -0.100 0.000 1.050 715 K CA 1.637 57.867 56.287 -0.095 0.000 0.935 715 K CB -0.102 32.351 32.500 -0.080 0.000 0.715 715 K HN 0.706 nan 8.250 nan 0.000 0.439 716 T N -2.416 111.992 114.554 -0.243 0.000 2.906 716 T HA 0.508 4.858 4.350 -0.001 0.000 0.295 716 T C -1.451 173.028 174.700 -0.368 0.000 1.061 716 T CA -0.993 61.016 62.100 -0.152 0.000 1.000 716 T CB 1.296 70.130 68.868 -0.056 0.000 1.103 716 T HN 0.135 nan 8.240 nan 0.000 0.486 717 W N 1.087 122.404 121.300 0.029 0.000 2.844 717 W HA 0.656 5.316 4.660 -0.000 0.000 0.340 717 W C -0.711 175.875 176.519 0.112 0.000 1.093 717 W CA -0.913 56.467 57.345 0.059 0.000 1.212 717 W CB 2.218 31.685 29.460 0.011 0.000 1.422 717 W HN 0.759 nan 8.180 nan 0.000 0.515 718 V N 0.013 120.166 119.914 0.399 0.000 2.735 718 V HA 0.614 4.733 4.120 -0.001 0.000 0.310 718 V C -0.243 176.085 176.094 0.390 0.000 1.061 718 V CA -1.656 60.840 62.300 0.326 0.000 0.913 718 V CB 1.643 33.587 31.823 0.201 0.000 1.005 718 V HN 0.651 nan 8.190 nan 0.000 0.428 719 R N 2.595 123.274 120.500 0.298 0.000 2.347 719 R HA 0.445 4.784 4.340 -0.001 0.000 0.304 719 R C 0.724 176.980 176.300 -0.073 0.000 1.072 719 R CA 0.144 56.236 56.100 -0.013 0.000 0.980 719 R CB 0.916 31.184 30.300 -0.054 0.000 0.986 719 R HN 0.993 nan 8.270 nan 0.000 0.448 720 I N 0.696 121.158 120.570 -0.181 0.000 4.035 720 I HA 0.135 4.304 4.170 -0.001 0.000 0.321 720 I C 0.536 176.690 176.117 0.062 0.000 1.289 720 I CA -0.578 60.566 61.300 -0.260 0.000 1.236 720 I CB -0.075 37.502 38.000 -0.704 0.000 1.076 720 I HN 0.418 nan 8.210 nan 0.000 0.418 721 N N 2.635 121.279 118.700 -0.094 0.000 2.495 721 N HA 0.316 5.056 4.740 -0.001 0.000 0.294 721 N C -0.884 174.520 175.510 -0.178 0.000 1.276 721 N CA -0.015 52.887 53.050 -0.247 0.000 0.973 721 N CB 0.693 38.531 38.487 -1.082 0.000 1.143 721 N HN 0.407 nan 8.380 nan 0.000 0.589 722 D N -3.359 116.925 120.400 -0.194 0.000 2.677 722 D HA 0.282 4.921 4.640 -0.001 0.000 0.298 722 D C -0.373 175.855 176.300 -0.121 0.000 1.250 722 D CA -0.578 53.374 54.000 -0.080 0.000 0.888 722 D CB 0.223 41.062 40.800 0.064 0.000 1.397 722 D HN 0.214 nan 8.370 nan 0.000 0.461 723 D N -0.436 119.921 120.400 -0.071 0.000 2.218 723 D HA -0.108 4.532 4.640 -0.001 0.000 0.204 723 D C 0.959 177.193 176.300 -0.110 0.000 0.976 723 D CA 1.087 55.038 54.000 -0.082 0.000 0.853 723 D CB 0.091 40.862 40.800 -0.049 0.000 0.939 723 D HN 0.531 nan 8.370 nan 0.000 0.481 724 E N -0.657 119.472 120.200 -0.120 0.000 2.478 724 E HA -0.020 4.329 4.350 -0.001 0.000 0.194 724 E C -0.093 176.139 176.600 -0.612 0.000 1.045 724 E CA 0.235 56.470 56.400 -0.275 0.000 0.868 724 E CB 0.211 29.757 29.700 -0.255 0.000 0.885 724 E HN 0.394 nan 8.360 nan 0.000 0.505 725 H N -0.935 117.920 119.070 -0.358 0.000 2.423 725 H HA 0.253 4.809 4.556 -0.001 0.000 0.237 725 H C 0.739 175.604 175.328 -0.771 0.000 1.391 725 H CA -0.334 55.307 56.048 -0.679 0.000 1.453 725 H CB 1.205 30.608 29.762 -0.598 0.000 1.484 725 H HN 0.114 nan 8.280 nan 0.000 0.505 726 G N -0.225 108.243 108.800 -0.554 0.000 2.570 726 G HA2 -0.105 3.854 3.960 -0.001 0.000 0.209 726 G HA3 -0.105 3.854 3.960 -0.001 0.000 0.209 726 G C -0.113 174.795 174.900 0.014 0.000 1.168 726 G CA -0.008 44.917 45.100 -0.292 0.000 0.831 726 G HN 0.618 nan 8.290 nan 0.000 0.564 727 Y N -0.244 120.140 120.300 0.141 0.000 4.753 727 Y HA -0.200 4.350 4.550 -0.001 0.000 0.232 727 Y C 1.953 177.752 175.900 -0.168 0.000 1.029 727 Y CA 0.810 58.931 58.100 0.036 0.000 1.996 727 Y CB -1.637 36.850 38.460 0.045 0.000 1.602 727 Y HN 1.148 nan 8.280 nan 0.000 0.621 728 G N -0.493 108.392 108.800 0.142 0.000 2.527 728 G HA2 0.031 3.990 3.960 -0.001 0.000 0.262 728 G HA3 0.031 3.990 3.960 -0.001 0.000 0.262 728 G C 0.189 175.059 174.900 -0.050 0.000 1.153 728 G CA 0.235 45.405 45.100 0.117 0.000 0.954 728 G HN 1.531 nan 8.290 nan 0.000 0.552 729 A N 0.302 122.860 122.820 -0.438 0.000 2.347 729 A HA 0.654 4.974 4.320 -0.001 0.000 0.287 729 A C 0.750 178.127 177.584 -0.345 0.000 1.199 729 A CA 0.706 52.382 52.037 -0.602 0.000 0.851 729 A CB 0.418 18.637 19.000 -1.302 0.000 1.118 729 A HN 2.226 nan 8.150 nan 0.000 0.525 730 V N 0.819 120.605 119.914 -0.214 0.000 2.647 730 V HA 0.339 4.459 4.120 -0.001 0.000 0.305 730 V C -0.420 175.600 176.094 -0.123 0.000 1.162 730 V CA -0.125 62.088 62.300 -0.146 0.000 1.248 730 V CB 0.099 31.876 31.823 -0.076 0.000 1.508 730 V HN 0.745 nan 8.190 nan 0.000 0.647 731 D N -0.729 119.565 120.400 -0.176 0.000 2.623 731 D HA 0.103 4.743 4.640 -0.001 0.000 0.252 731 D C 1.122 177.371 176.300 -0.085 0.000 1.294 731 D CA 0.642 54.565 54.000 -0.128 0.000 0.824 731 D CB 0.519 41.147 40.800 -0.287 0.000 1.070 731 D HN 0.527 nan 8.370 nan 0.000 0.487 732 T N -3.338 111.165 114.554 -0.086 0.000 3.056 732 T HA 0.586 4.935 4.350 -0.001 0.000 0.243 732 T C 0.810 175.490 174.700 -0.033 0.000 0.995 732 T CA 0.462 62.525 62.100 -0.063 0.000 1.091 732 T CB 0.515 69.334 68.868 -0.081 0.000 0.990 732 T HN 0.301 nan 8.240 nan 0.000 0.464 733 A N 0.233 123.030 122.820 -0.038 0.000 2.577 733 A HA 0.767 5.087 4.320 -0.001 0.000 0.297 733 A C -1.811 175.756 177.584 -0.028 0.000 1.060 733 A CA -0.803 51.224 52.037 -0.016 0.000 0.697 733 A CB 1.237 20.233 19.000 -0.006 0.000 1.281 733 A HN 0.554 nan 8.150 nan 0.000 0.402 734 I N 0.797 121.361 120.570 -0.009 0.000 2.722 734 I HA 0.788 4.958 4.170 -0.001 0.000 0.295 734 I C -0.879 175.246 176.117 0.013 0.000 1.161 734 I CA -0.018 61.273 61.300 -0.015 0.000 1.032 734 I CB 2.417 40.400 38.000 -0.029 0.000 1.244 734 I HN 0.796 nan 8.210 nan 0.000 0.421 735 T N 4.205 118.783 114.554 0.040 0.000 2.956 735 T HA 0.631 4.981 4.350 -0.001 0.000 0.312 735 T C -0.222 174.488 174.700 0.017 0.000 1.151 735 T CA -0.062 62.082 62.100 0.074 0.000 1.024 735 T CB 1.331 70.284 68.868 0.142 0.000 1.140 735 T HN 0.847 nan 8.240 nan 0.000 0.473 736 G N 1.395 110.187 108.800 -0.012 0.000 2.588 736 G HA2 0.411 4.371 3.960 -0.001 0.000 0.278 736 G HA3 0.411 4.371 3.960 -0.001 0.000 0.278 736 G C -0.787 174.165 174.900 0.086 0.000 1.307 736 G CA -0.216 44.793 45.100 -0.152 0.000 1.016 736 G HN 0.678 nan 8.290 nan 0.000 0.503 737 D N -0.382 120.047 120.400 0.048 0.000 2.381 737 D HA 0.286 4.926 4.640 -0.001 0.000 0.235 737 D C -1.461 174.911 176.300 0.119 0.000 1.068 737 D CA -1.945 52.142 54.000 0.145 0.000 0.832 737 D CB 2.286 43.145 40.800 0.099 0.000 1.101 737 D HN -0.007 nan 8.370 nan 0.000 0.515 738 P HA -0.053 nan 4.420 nan 0.000 0.225 738 P C 0.795 178.151 177.300 0.093 0.000 1.148 738 P CA 0.615 63.786 63.100 0.118 0.000 0.779 738 P CB 0.570 32.334 31.700 0.107 0.000 0.780 739 R N -1.025 119.521 120.500 0.077 0.000 2.335 739 R HA 0.238 4.577 4.340 -0.001 0.000 0.210 739 R C -0.051 176.288 176.300 0.065 0.000 0.892 739 R CA 0.135 56.272 56.100 0.062 0.000 1.048 739 R CB 0.899 31.224 30.300 0.041 0.000 1.067 739 R HN 0.007 nan 8.270 nan 0.000 0.524 740 V N 1.499 121.452 119.914 0.065 0.000 2.419 740 V HA 0.135 4.254 4.120 -0.001 0.000 0.287 740 V C -0.938 175.185 176.094 0.049 0.000 1.017 740 V CA -1.194 61.134 62.300 0.048 0.000 0.844 740 V CB 1.107 32.928 31.823 -0.002 0.000 1.011 740 V HN 0.098 nan 8.190 nan 0.000 0.429 741 Y N 4.157 124.475 120.300 0.031 0.000 2.610 741 Y HA 0.423 4.973 4.550 -0.001 0.000 0.332 741 Y C 1.350 177.280 175.900 0.050 0.000 1.201 741 Y CA 1.572 59.708 58.100 0.061 0.000 1.465 741 Y CB 0.875 39.365 38.460 0.049 0.000 1.283 741 Y HN 0.972 nan 8.280 nan 0.000 0.563 742 G N 4.410 112.496 108.800 -1.189 0.000 2.253 742 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.251 742 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.251 742 G C 0.534 175.248 174.900 -0.309 0.000 0.998 742 G CA 0.179 44.790 45.100 -0.814 0.000 0.621 742 G HN 0.833 nan 8.290 nan 0.000 0.524 743 R N 0.291 120.585 120.500 -0.345 0.000 2.438 743 R HA 0.590 4.930 4.340 -0.001 0.000 0.287 743 R C -0.699 175.236 176.300 -0.608 0.000 1.077 743 R CA 0.172 56.032 56.100 -0.400 0.000 1.034 743 R CB 1.177 31.258 30.300 -0.365 0.000 0.993 743 R HN 0.446 nan 8.270 nan 0.000 0.459 744 V N 5.601 125.141 119.914 -0.624 0.000 2.841 744 V HA 0.460 4.580 4.120 -0.001 0.000 0.310 744 V C -1.820 173.989 176.094 -0.476 0.000 1.090 744 V CA -0.675 61.219 62.300 -0.676 0.000 0.930 744 V CB 1.886 33.318 31.823 -0.652 0.000 1.014 744 V HN 0.748 nan 8.190 nan 0.000 0.425 745 Y N 5.995 126.219 120.300 -0.127 0.000 2.352 745 Y HA 0.727 5.276 4.550 -0.002 0.000 0.339 745 Y C 0.165 176.010 175.900 -0.091 0.000 0.992 745 Y CA -0.794 57.273 58.100 -0.054 0.000 1.100 745 Y CB 1.770 40.182 38.460 -0.079 0.000 1.192 745 Y HN 0.438 nan 8.280 nan 0.000 0.458 746 I N 2.734 123.331 120.570 0.044 0.000 2.466 746 I HA 0.589 4.758 4.170 -0.001 0.000 0.289 746 I C -0.443 175.608 176.117 -0.109 0.000 1.026 746 I CA -1.188 60.043 61.300 -0.115 0.000 1.078 746 I CB 1.917 39.703 38.000 -0.356 0.000 1.249 746 I HN 0.712 nan 8.210 nan 0.000 0.429 747 A N 4.336 127.094 122.820 -0.103 0.000 2.362 747 A HA 0.613 4.932 4.320 -0.001 0.000 0.276 747 A C 0.296 177.801 177.584 -0.130 0.000 1.153 747 A CA -0.144 51.837 52.037 -0.094 0.000 0.813 747 A CB 0.182 19.140 19.000 -0.070 0.000 1.081 747 A HN 0.767 nan 8.150 nan 0.000 0.507 748 T N -0.295 114.186 114.554 -0.120 0.000 2.949 748 T HA 0.462 4.811 4.350 -0.001 0.000 0.287 748 T C -0.140 174.490 174.700 -0.118 0.000 1.034 748 T CA -0.873 61.145 62.100 -0.137 0.000 1.018 748 T CB 1.298 70.094 68.868 -0.120 0.000 1.135 748 T HN 0.411 nan 8.240 nan 0.000 0.532 749 N N 0.025 118.630 118.700 -0.158 0.000 3.228 749 N HA 0.402 5.142 4.740 -0.001 0.000 0.289 749 N C 0.812 176.363 175.510 0.068 0.000 1.419 749 N CA 0.464 53.463 53.050 -0.085 0.000 1.088 749 N CB -0.144 38.202 38.487 -0.236 0.000 1.357 749 N HN 1.165 nan 8.380 nan 0.000 0.504 750 G N 1.500 110.330 108.800 0.051 0.000 2.273 750 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.162 750 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.162 750 G C 0.582 175.528 174.900 0.077 0.000 1.006 750 G CA -0.459 44.697 45.100 0.094 0.000 0.704 750 G HN 0.374 nan 8.290 nan 0.000 0.487 751 R N 0.676 121.192 120.500 0.026 0.000 2.629 751 R HA 0.471 4.810 4.340 -0.001 0.000 0.386 751 R C 1.372 177.693 176.300 0.035 0.000 1.071 751 R CA 0.739 56.881 56.100 0.069 0.000 1.104 751 R CB 0.191 30.537 30.300 0.077 0.000 1.370 751 R HN 1.398 nan 8.270 nan 0.000 0.574 752 G N 1.515 110.332 108.800 0.027 0.000 2.552 752 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.265 752 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.265 752 G C -0.121 174.760 174.900 -0.031 0.000 1.234 752 G CA -0.260 44.848 45.100 0.013 0.000 0.944 752 G HN 0.231 nan 8.290 nan 0.000 0.568 753 I N 1.291 121.844 120.570 -0.029 0.000 2.321 753 I HA 0.506 4.676 4.170 -0.001 0.000 0.291 753 I C 0.793 176.901 176.117 -0.014 0.000 0.998 753 I CA -0.884 60.391 61.300 -0.042 0.000 1.227 753 I CB 1.457 39.408 38.000 -0.082 0.000 1.368 753 I HN 0.674 nan 8.210 nan 0.000 0.466 754 V N 4.782 124.666 119.914 -0.050 0.000 2.630 754 V HA 0.668 4.787 4.120 -0.001 0.000 0.305 754 V C -0.952 175.275 176.094 0.222 0.000 1.046 754 V CA -0.645 61.644 62.300 -0.017 0.000 0.934 754 V CB 1.444 33.020 31.823 -0.413 0.000 1.003 754 V HN 0.702 nan 8.190 nan 0.000 0.451 755 Y N 1.335 121.701 120.300 0.111 0.000 2.524 755 Y HA 0.969 5.518 4.550 -0.001 0.000 0.347 755 Y C -0.164 175.677 175.900 -0.097 0.000 1.005 755 Y CA -0.600 57.499 58.100 -0.002 0.000 1.025 755 Y CB 1.922 40.304 38.460 -0.130 0.000 1.275 755 Y HN 1.046 nan 8.280 nan 0.000 0.460 756 G N 2.113 110.579 108.800 -0.556 0.000 2.524 756 G HA2 0.646 4.605 3.960 -0.001 0.000 0.310 756 G HA3 0.646 4.605 3.960 -0.001 0.000 0.310 756 G C -1.814 172.678 174.900 -0.680 0.000 1.279 756 G CA -1.041 43.327 45.100 -1.221 0.000 0.974 756 G HN 0.724 nan 8.290 nan 0.000 0.484 757 E N 0.863 120.569 120.200 -0.824 0.000 2.367 757 E HA 0.332 4.681 4.350 -0.001 0.000 0.273 757 E C -2.719 173.070 176.600 -1.352 0.000 0.903 757 E CA -1.912 53.980 56.400 -0.848 0.000 0.764 757 E CB 3.200 32.620 29.700 -0.465 0.000 1.252 757 E HN 0.191 nan 8.360 nan 0.000 0.446 758 P HA -0.063 nan 4.420 nan 0.000 0.264 758 P C -0.879 176.127 177.300 -0.490 0.000 1.183 758 P CA 0.296 62.820 63.100 -0.960 0.000 0.763 758 P CB 0.394 31.834 31.700 -0.434 0.000 0.807 759 A N 3.365 125.998 122.820 -0.311 0.000 2.483 759 A HA 0.290 4.609 4.320 -0.001 0.000 0.238 759 A C 0.676 178.190 177.584 -0.117 0.000 1.070 759 A CA 0.516 52.450 52.037 -0.171 0.000 0.770 759 A CB -0.246 18.706 19.000 -0.081 0.000 1.008 759 A HN 0.500 nan 8.150 nan 0.000 0.497 760 S N 0.000 115.646 115.700 -0.090 0.000 2.498 760 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 760 S CA 0.000 58.165 58.200 -0.058 0.000 1.107 760 S CB 0.000 63.167 63.200 -0.055 0.000 0.593 760 S HN 0.000 nan 8.310 nan 0.000 0.517