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 2p1n_1_E DATA FIRST_RESID 8 DATA SEQUENCE SFPEEVLEHV FSFIQLDKDR NSVSLVCKSW YEIERWCRRK VFIGNCYAVS DATA SEQUENCE PATVIRRFPK VRSVELKGKP HFADFNLVPD GWGGYVYPWI EAMSSSYTWL DATA SEQUENCE EEIRLKRMVV TDDCLELIAK SFKNFKVLVL SSCEGFSTDG LAAIAATCRN DATA SEQUENCE LKELDLRESD VDDVSGHWLS HFPDTYTSLV SLNISCLASE VSFSALERLV DATA SEQUENCE TRCPNLKSLK LNRAVPLEKL ATLLQRAPQL EELGTGGYTA EVRPDVYSGL DATA SEQUENCE SVALSGCKEL RCLSGFWDAV PAYLPAVYSV CSRLTTLNLS YATVQSYDLV DATA SEQUENCE KLLCQCPKLQ RLWVLDYIED AGLEVLASTC KDLRELRVFP SEPFVMEPNV DATA SEQUENCE ALTEQGLVSV SMGCPKLESV LYFCRQMTNA ALITIARNRP NMTRFRLCII DATA SEQUENCE EPKAPDYLTL EPLDIGFGAI VEHCKDLRRL SLSGLLTDKV FEYIGTYAKK DATA SEQUENCE MEMLSVAFAG DSDLGMHHVL SGCDSLRKLE IRDCPFGDKA LLANASKLET DATA SEQUENCE MRSLWMSSCS VSFGACKLLG QKMPKLNVEV IDERGAPDSR PESCPVERVF DATA SEQUENCE IYRTVAGPRF DMPGFVWNMD Q 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 8 S HA 0.000 nan 4.470 nan 0.000 0.327 8 S C 0.000 174.142 174.600 -0.763 0.000 1.055 8 S CA 0.000 57.927 58.200 -0.455 0.000 1.107 8 S CB 0.000 63.029 63.200 -0.284 0.000 0.593 9 F N 3.280 123.279 119.950 0.081 0.000 2.569 9 F HA 0.684 5.210 4.527 -0.001 0.000 0.312 9 F C -2.746 173.053 175.800 -0.001 0.000 1.109 9 F CA -2.113 55.903 58.000 0.026 0.000 0.919 9 F CB 1.073 40.070 39.000 -0.005 0.000 1.211 9 F HN 0.119 nan 8.300 nan 0.000 0.446 10 P HA -0.092 nan 4.420 nan 0.000 0.260 10 P C 0.454 177.781 177.300 0.045 0.000 1.147 10 P CA 0.676 63.826 63.100 0.083 0.000 0.758 10 P CB 0.670 32.404 31.700 0.056 0.000 0.744 11 E N 2.193 122.400 120.200 0.011 0.000 2.571 11 E HA -0.347 4.002 4.350 -0.001 0.000 0.249 11 E C 1.631 178.177 176.600 -0.089 0.000 1.061 11 E CA 2.640 59.014 56.400 -0.042 0.000 1.264 11 E CB -0.376 29.306 29.700 -0.029 0.000 1.145 11 E HN 0.800 nan 8.360 nan 0.000 0.484 12 E N 0.569 120.734 120.200 -0.058 0.000 2.299 12 E HA -0.085 4.264 4.350 -0.001 0.000 0.193 12 E C 2.044 178.599 176.600 -0.075 0.000 0.998 12 E CA 1.021 57.383 56.400 -0.065 0.000 0.851 12 E CB 0.138 29.812 29.700 -0.045 0.000 0.795 12 E HN 0.200 nan 8.360 nan 0.000 0.492 13 V N 1.633 121.500 119.914 -0.079 0.000 2.295 13 V HA -0.257 3.862 4.120 -0.001 0.000 0.246 13 V C 2.537 178.493 176.094 -0.230 0.000 1.049 13 V CA 1.515 63.739 62.300 -0.128 0.000 1.024 13 V CB -0.529 31.204 31.823 -0.150 0.000 0.648 13 V HN 0.231 nan 8.190 nan 0.000 0.447 14 L N -0.154 120.884 121.223 -0.307 0.000 1.970 14 L HA -0.241 4.099 4.340 -0.001 0.000 0.212 14 L C 2.603 178.880 176.870 -0.989 0.000 1.071 14 L CA 2.283 56.679 54.840 -0.740 0.000 0.751 14 L CB -0.635 40.920 42.059 -0.840 0.000 0.889 14 L HN 0.412 nan 8.230 nan 0.000 0.432 15 E N -0.583 119.249 120.200 -0.614 0.000 2.119 15 E HA -0.419 3.930 4.350 -0.001 0.000 0.221 15 E C 2.128 178.619 176.600 -0.183 0.000 1.062 15 E CA 2.295 58.508 56.400 -0.311 0.000 0.894 15 E CB -0.232 29.390 29.700 -0.131 0.000 0.785 15 E HN 0.545 nan 8.360 nan 0.000 0.472 16 H N -0.719 118.227 119.070 -0.207 0.000 2.423 16 H HA -0.063 4.493 4.556 -0.001 0.000 0.297 16 H C 1.888 177.176 175.328 -0.067 0.000 1.075 16 H CA 1.588 57.548 56.048 -0.146 0.000 1.342 16 H CB 0.023 29.735 29.762 -0.083 0.000 1.395 16 H HN 0.073 nan 8.280 nan 0.000 0.530 17 V N 0.578 120.494 119.914 0.003 0.000 2.214 17 V HA -0.300 3.820 4.120 -0.001 0.000 0.244 17 V C 1.961 178.196 176.094 0.234 0.000 1.045 17 V CA 2.135 64.512 62.300 0.128 0.000 0.993 17 V CB -1.053 30.780 31.823 0.016 0.000 0.633 17 V HN 0.552 nan 8.190 nan 0.000 0.449 18 F N 1.255 121.137 119.950 -0.112 0.000 2.128 18 F HA -0.446 4.080 4.527 -0.001 0.000 0.272 18 F C 2.786 178.472 175.800 -0.189 0.000 1.090 18 F CA 1.936 59.854 58.000 -0.138 0.000 1.405 18 F CB -1.467 37.443 39.000 -0.149 0.000 0.898 18 F HN 0.417 nan 8.300 nan 0.000 0.496 19 S N 0.053 115.671 115.700 -0.136 0.000 2.461 19 S HA -0.246 4.224 4.470 -0.001 0.000 0.246 19 S C 1.199 175.495 174.600 -0.507 0.000 1.007 19 S CA 1.461 59.417 58.200 -0.407 0.000 0.976 19 S CB -1.190 61.628 63.200 -0.636 0.000 0.763 19 S HN 0.439 nan 8.310 nan 0.000 0.508 20 F N 0.666 120.560 119.950 -0.094 0.000 2.660 20 F HA 0.519 5.046 4.527 -0.001 0.000 0.302 20 F C 0.254 176.026 175.800 -0.047 0.000 1.103 20 F CA -0.453 57.500 58.000 -0.079 0.000 1.340 20 F CB 0.269 39.224 39.000 -0.074 0.000 1.048 20 F HN 0.130 nan 8.300 nan 0.000 0.551 21 I N 0.467 121.069 120.570 0.053 0.000 2.476 21 I HA 0.187 4.356 4.170 -0.001 0.000 0.281 21 I C 0.283 176.372 176.117 -0.048 0.000 1.040 21 I CA -0.105 61.203 61.300 0.013 0.000 1.094 21 I CB 1.478 39.470 38.000 -0.014 0.000 1.219 21 I HN -0.070 nan 8.210 nan 0.000 0.450 22 Q N 3.650 123.425 119.800 -0.041 0.000 2.322 22 Q HA 0.332 4.672 4.340 -0.001 0.000 0.250 22 Q C -0.097 175.861 176.000 -0.070 0.000 0.853 22 Q CA 0.074 55.840 55.803 -0.062 0.000 0.951 22 Q CB 0.677 29.386 28.738 -0.049 0.000 1.114 22 Q HN 0.366 nan 8.270 nan 0.000 0.523 23 L N 3.297 124.485 121.223 -0.058 0.000 2.410 23 L HA 0.033 4.373 4.340 -0.001 0.000 0.273 23 L C 1.133 177.964 176.870 -0.065 0.000 1.144 23 L CA 0.542 55.346 54.840 -0.061 0.000 0.863 23 L CB 0.442 42.474 42.059 -0.045 0.000 1.140 23 L HN 0.058 nan 8.230 nan 0.000 0.463 24 D N 2.752 123.111 120.400 -0.068 0.000 2.157 24 D HA -0.237 4.402 4.640 -0.001 0.000 0.191 24 D C 1.574 177.860 176.300 -0.023 0.000 1.004 24 D CA 1.661 55.632 54.000 -0.048 0.000 0.854 24 D CB 0.249 41.041 40.800 -0.014 0.000 0.936 24 D HN 0.528 nan 8.370 nan 0.000 0.446 25 K N 0.502 120.891 120.400 -0.018 0.000 2.097 25 K HA -0.119 4.201 4.320 -0.001 0.000 0.206 25 K C 1.659 178.260 176.600 0.002 0.000 1.049 25 K CA 0.852 57.142 56.287 0.004 0.000 0.933 25 K CB -0.139 32.365 32.500 0.005 0.000 0.717 25 K HN 0.170 nan 8.250 nan 0.000 0.442 26 D N 0.822 121.213 120.400 -0.016 0.000 2.084 26 D HA -0.121 4.519 4.640 -0.001 0.000 0.194 26 D C 2.045 178.318 176.300 -0.044 0.000 0.990 26 D CA 0.881 54.870 54.000 -0.018 0.000 0.826 26 D CB -0.089 40.696 40.800 -0.025 0.000 0.971 26 D HN 0.046 nan 8.370 nan 0.000 0.453 27 R N 0.697 121.150 120.500 -0.078 0.000 2.103 27 R HA -0.103 4.237 4.340 -0.001 0.000 0.242 27 R C 1.806 178.083 176.300 -0.039 0.000 1.142 27 R CA 0.906 56.936 56.100 -0.118 0.000 0.960 27 R CB -0.702 29.515 30.300 -0.139 0.000 0.858 27 R HN 0.257 nan 8.270 nan 0.000 0.439 28 N N 0.198 118.909 118.700 0.019 0.000 2.171 28 N HA -0.061 4.679 4.740 -0.001 0.000 0.184 28 N C 1.762 177.328 175.510 0.093 0.000 1.021 28 N CA 0.914 54.015 53.050 0.085 0.000 0.854 28 N CB -0.482 38.062 38.487 0.096 0.000 0.994 28 N HN -0.002 nan 8.380 nan 0.000 0.426 29 S N 0.587 116.327 115.700 0.065 0.000 2.401 29 S HA -0.216 4.254 4.470 -0.001 0.000 0.236 29 S C 2.220 176.887 174.600 0.112 0.000 1.058 29 S CA 2.102 60.346 58.200 0.074 0.000 1.151 29 S CB -0.753 62.482 63.200 0.057 0.000 1.049 29 S HN 0.373 nan 8.310 nan 0.000 0.432 30 V N 1.864 121.831 119.914 0.088 0.000 2.282 30 V HA -0.188 3.931 4.120 -0.001 0.000 0.249 30 V C 2.226 178.488 176.094 0.279 0.000 1.057 30 V CA 2.689 65.088 62.300 0.164 0.000 1.032 30 V CB -1.560 30.152 31.823 -0.186 0.000 0.645 30 V HN 0.692 nan 8.190 nan 0.000 0.447 31 S N 0.058 115.874 115.700 0.193 0.000 2.465 31 S HA -0.050 4.420 4.470 -0.001 0.000 0.241 31 S C 1.737 176.549 174.600 0.354 0.000 1.000 31 S CA 1.947 60.336 58.200 0.315 0.000 0.964 31 S CB -0.767 62.610 63.200 0.296 0.000 0.763 31 S HN 0.654 nan 8.310 nan 0.000 0.512 32 L N 1.273 122.634 121.223 0.229 0.000 2.769 32 L HA 0.316 4.655 4.340 -0.001 0.000 0.240 32 L C 2.051 178.973 176.870 0.088 0.000 1.163 32 L CA 0.180 55.113 54.840 0.155 0.000 0.962 32 L CB 0.615 42.739 42.059 0.108 0.000 1.258 32 L HN 0.375 nan 8.230 nan 0.000 0.513 33 V N -0.806 119.162 119.914 0.091 0.000 2.346 33 V HA -0.036 4.083 4.120 -0.001 0.000 0.244 33 V C 0.766 176.770 176.094 -0.151 0.000 1.037 33 V CA 1.228 63.464 62.300 -0.107 0.000 1.029 33 V CB 0.430 32.049 31.823 -0.340 0.000 0.663 33 V HN 0.557 nan 8.190 nan 0.000 0.454 34 C N -2.288 116.981 119.300 -0.051 0.000 3.295 34 C HA 0.481 4.941 4.460 -0.001 0.000 0.341 34 C C 0.991 176.081 174.990 0.166 0.000 1.418 34 C CA -0.720 58.297 59.018 -0.000 0.000 1.240 34 C CB 1.066 28.757 27.740 -0.083 0.000 1.562 34 C HN 0.340 nan 8.230 nan 0.000 0.457 35 K N 0.520 121.003 120.400 0.139 0.000 2.360 35 K HA -0.086 4.233 4.320 -0.001 0.000 0.201 35 K C 2.040 178.833 176.600 0.321 0.000 1.046 35 K CA 1.505 57.906 56.287 0.189 0.000 0.945 35 K CB -0.053 32.512 32.500 0.108 0.000 0.750 35 K HN 0.672 nan 8.250 nan 0.000 0.464 36 S N -0.080 115.820 115.700 0.333 0.000 2.356 36 S HA -0.088 4.382 4.470 -0.001 0.000 0.219 36 S C 1.409 176.353 174.600 0.573 0.000 1.036 36 S CA 0.466 58.908 58.200 0.404 0.000 0.965 36 S CB -0.106 63.327 63.200 0.387 0.000 0.864 36 S HN 0.364 nan 8.310 nan 0.000 0.471 37 W N 1.261 122.728 121.300 0.279 0.000 2.374 37 W HA 0.030 4.690 4.660 -0.001 0.000 0.288 37 W C 2.139 178.872 176.519 0.358 0.000 1.218 37 W CA 0.199 57.775 57.345 0.385 0.000 1.245 37 W CB -1.425 28.262 29.460 0.377 0.000 1.126 37 W HN 0.495 nan 8.180 nan 0.000 0.545 38 Y N 1.909 122.470 120.300 0.435 0.000 2.081 38 Y HA -0.311 4.239 4.550 -0.000 0.000 0.280 38 Y C 2.336 178.416 175.900 0.300 0.000 1.163 38 Y CA 2.505 60.787 58.100 0.304 0.000 1.135 38 Y CB -0.346 38.242 38.460 0.213 0.000 0.970 38 Y HN -0.117 nan 8.280 nan 0.000 0.498 39 E N 0.259 120.690 120.200 0.384 0.000 2.072 39 E HA -0.190 4.160 4.350 -0.001 0.000 0.191 39 E C 2.398 179.202 176.600 0.340 0.000 0.985 39 E CA 1.626 58.219 56.400 0.321 0.000 0.801 39 E CB -0.359 29.564 29.700 0.371 0.000 0.750 39 E HN 0.603 nan 8.360 nan 0.000 0.452 40 I N 1.214 121.976 120.570 0.319 0.000 2.202 40 I HA -0.270 3.900 4.170 -0.001 0.000 0.242 40 I C 2.480 178.817 176.117 0.366 0.000 1.091 40 I CA 1.145 62.610 61.300 0.275 0.000 1.368 40 I CB -0.596 37.458 38.000 0.090 0.000 1.058 40 I HN 0.093 nan 8.210 nan 0.000 0.410 41 E N 2.686 123.138 120.200 0.419 0.000 2.507 41 E HA -0.384 3.966 4.350 -0.001 0.000 0.243 41 E C 1.896 178.581 176.600 0.141 0.000 0.925 41 E CA 3.060 59.574 56.400 0.191 0.000 1.067 41 E CB -0.713 28.991 29.700 0.007 0.000 1.075 41 E HN 0.434 nan 8.360 nan 0.000 0.528 42 R N -1.218 119.310 120.500 0.046 0.000 2.119 42 R HA -0.175 4.165 4.340 -0.001 0.000 0.246 42 R C 2.545 178.892 176.300 0.078 0.000 1.146 42 R CA 1.983 58.130 56.100 0.078 0.000 0.962 42 R CB -0.929 29.190 30.300 -0.302 0.000 0.863 42 R HN 0.461 nan 8.270 nan 0.000 0.442 43 W N 0.235 121.607 121.300 0.121 0.000 3.003 43 W HA 0.072 4.732 4.660 -0.001 0.000 0.257 43 W C 1.408 177.973 176.519 0.077 0.000 1.308 43 W CA 0.086 57.493 57.345 0.105 0.000 1.529 43 W CB 0.309 29.818 29.460 0.081 0.000 1.115 43 W HN 0.355 nan 8.180 nan 0.000 0.659 44 C N -1.571 117.873 119.300 0.240 0.000 3.491 44 C HA 0.435 4.894 4.460 -0.001 0.000 0.298 44 C C 0.993 175.992 174.990 0.014 0.000 1.424 44 C CA -0.788 58.307 59.018 0.128 0.000 1.772 44 C CB -1.368 26.448 27.740 0.127 0.000 2.447 44 C HN 0.025 nan 8.230 nan 0.000 0.670 45 R N 1.734 122.203 120.500 -0.051 0.000 2.504 45 R HA 0.084 4.424 4.340 -0.001 0.000 0.291 45 R C 1.309 177.488 176.300 -0.203 0.000 0.974 45 R CA 0.350 56.312 56.100 -0.230 0.000 1.077 45 R CB 0.378 30.316 30.300 -0.602 0.000 0.926 45 R HN 0.487 nan 8.270 nan 0.000 0.407 46 R N 2.498 122.880 120.500 -0.197 0.000 2.225 46 R HA 0.036 4.375 4.340 -0.001 0.000 0.194 46 R C -0.023 176.169 176.300 -0.180 0.000 0.957 46 R CA 0.755 56.763 56.100 -0.154 0.000 1.042 46 R CB 0.300 30.525 30.300 -0.125 0.000 1.004 46 R HN 0.570 nan 8.270 nan 0.000 0.509 47 K N -0.362 119.915 120.400 -0.205 0.000 2.523 47 K HA 0.372 4.691 4.320 -0.001 0.000 0.257 47 K C -1.541 174.956 176.600 -0.172 0.000 0.932 47 K CA -0.619 55.570 56.287 -0.163 0.000 0.812 47 K CB 2.486 34.920 32.500 -0.111 0.000 1.326 47 K HN -0.222 nan 8.250 nan 0.000 0.433 48 V N 3.908 123.758 119.914 -0.106 0.000 2.823 48 V HA 0.637 4.757 4.120 -0.001 0.000 0.312 48 V C -1.684 174.433 176.094 0.038 0.000 1.072 48 V CA -0.775 61.491 62.300 -0.057 0.000 0.937 48 V CB 1.779 33.596 31.823 -0.010 0.000 1.013 48 V HN 0.762 nan 8.190 nan 0.000 0.430 49 F N 6.286 126.198 119.950 -0.063 0.000 2.460 49 F HA 0.709 5.236 4.527 -0.001 0.000 0.341 49 F C -0.750 175.022 175.800 -0.047 0.000 1.130 49 F CA -0.694 57.270 58.000 -0.061 0.000 0.962 49 F CB 1.189 40.160 39.000 -0.049 0.000 1.171 49 F HN 0.318 nan 8.300 nan 0.000 0.436 50 I N 6.609 126.734 120.570 -0.741 0.000 2.502 50 I HA 0.267 4.436 4.170 -0.001 0.000 0.276 50 I C 1.122 176.761 176.117 -0.797 0.000 1.057 50 I CA -0.433 60.507 61.300 -0.600 0.000 1.163 50 I CB 1.513 39.270 38.000 -0.405 0.000 1.288 50 I HN 0.893 nan 8.210 nan 0.000 0.479 51 G N 4.434 112.729 108.800 -0.842 0.000 2.448 51 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.219 51 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.219 51 G C 0.603 175.357 174.900 -0.243 0.000 1.127 51 G CA 0.423 45.195 45.100 -0.547 0.000 0.766 51 G HN 0.665 nan 8.290 nan 0.000 0.552 52 N N -1.032 117.551 118.700 -0.195 0.000 2.581 52 N HA 0.126 4.866 4.740 -0.001 0.000 0.279 52 N C 1.385 176.801 175.510 -0.156 0.000 1.124 52 N CA -0.231 52.746 53.050 -0.121 0.000 0.833 52 N CB 0.716 39.174 38.487 -0.048 0.000 1.338 52 N HN 0.067 nan 8.380 nan 0.000 0.533 53 C N 2.465 121.607 119.300 -0.263 0.000 2.401 53 C HA -0.113 4.347 4.460 -0.001 0.000 0.286 53 C C 1.403 176.324 174.990 -0.114 0.000 1.332 53 C CA 0.413 59.260 59.018 -0.286 0.000 1.795 53 C CB -1.891 25.578 27.740 -0.450 0.000 1.922 53 C HN 0.780 nan 8.230 nan 0.000 0.520 54 Y N 0.825 121.173 120.300 0.079 0.000 2.466 54 Y HA 0.403 4.953 4.550 -0.001 0.000 0.272 54 Y C 2.563 178.560 175.900 0.163 0.000 1.169 54 Y CA 0.229 58.396 58.100 0.112 0.000 1.285 54 Y CB -0.343 38.136 38.460 0.031 0.000 1.078 54 Y HN 0.301 nan 8.280 nan 0.000 0.523 55 A N 0.067 123.007 122.820 0.200 0.000 2.019 55 A HA 0.060 4.380 4.320 -0.001 0.000 0.219 55 A C 0.769 178.485 177.584 0.219 0.000 1.164 55 A CA 1.526 53.689 52.037 0.211 0.000 0.644 55 A CB -0.262 18.813 19.000 0.126 0.000 0.805 55 A HN 0.179 nan 8.150 nan 0.000 0.449 56 V N -0.943 119.122 119.914 0.251 0.000 3.147 56 V HA 0.509 4.629 4.120 -0.001 0.000 0.299 56 V C -0.372 175.871 176.094 0.249 0.000 1.302 56 V CA -0.191 62.247 62.300 0.230 0.000 1.015 56 V CB 2.072 34.029 31.823 0.223 0.000 1.086 56 V HN 0.649 nan 8.190 nan 0.000 0.437 57 S N 5.749 121.514 115.700 0.108 0.000 2.584 57 S HA 0.526 4.995 4.470 -0.001 0.000 0.273 57 S C -1.712 172.703 174.600 -0.309 0.000 1.311 57 S CA -0.460 57.702 58.200 -0.062 0.000 1.034 57 S CB 1.432 64.617 63.200 -0.025 0.000 0.939 57 S HN 0.709 nan 8.310 nan 0.000 0.513 58 P HA -0.030 nan 4.420 nan 0.000 0.219 58 P C 1.379 178.482 177.300 -0.329 0.000 1.146 58 P CA 1.601 64.153 63.100 -0.914 0.000 0.808 58 P CB -0.250 30.777 31.700 -1.123 0.000 0.779 59 A N -0.146 122.515 122.820 -0.264 0.000 1.873 59 A HA -0.175 4.144 4.320 -0.001 0.000 0.215 59 A C 2.412 179.925 177.584 -0.118 0.000 1.186 59 A CA 2.461 54.392 52.037 -0.175 0.000 0.616 59 A CB -1.992 16.921 19.000 -0.145 0.000 0.823 59 A HN 0.294 nan 8.150 nan 0.000 0.442 60 T N -1.068 113.435 114.554 -0.086 0.000 2.668 60 T HA -0.248 4.102 4.350 -0.001 0.000 0.265 60 T C 1.642 176.313 174.700 -0.048 0.000 1.041 60 T CA 2.818 64.890 62.100 -0.046 0.000 1.160 60 T CB -0.599 68.256 68.868 -0.023 0.000 0.857 60 T HN 0.144 nan 8.240 nan 0.000 0.455 61 V N 0.051 119.975 119.914 0.017 0.000 2.575 61 V HA 0.201 4.321 4.120 -0.001 0.000 0.242 61 V C 2.604 178.750 176.094 0.086 0.000 1.045 61 V CA 1.205 63.577 62.300 0.119 0.000 1.065 61 V CB -0.312 31.724 31.823 0.355 0.000 0.717 61 V HN 0.481 nan 8.190 nan 0.000 0.467 62 I N 0.058 120.633 120.570 0.008 0.000 2.361 62 I HA -0.196 3.973 4.170 -0.001 0.000 0.251 62 I C 2.592 178.654 176.117 -0.092 0.000 1.133 62 I CA 1.511 62.759 61.300 -0.087 0.000 1.413 62 I CB -0.347 37.461 38.000 -0.320 0.000 1.073 62 I HN 0.153 nan 8.210 nan 0.000 0.424 63 R N 0.922 121.351 120.500 -0.119 0.000 2.115 63 R HA -0.125 4.214 4.340 -0.001 0.000 0.226 63 R C 2.438 178.610 176.300 -0.213 0.000 1.100 63 R CA 1.188 57.208 56.100 -0.134 0.000 0.980 63 R CB -0.026 30.214 30.300 -0.101 0.000 0.875 63 R HN 0.294 nan 8.270 nan 0.000 0.445 64 R N -0.830 119.491 120.500 -0.297 0.000 2.156 64 R HA 0.040 4.380 4.340 -0.001 0.000 0.207 64 R C -0.189 175.744 176.300 -0.612 0.000 1.040 64 R CA 0.615 56.407 56.100 -0.513 0.000 1.013 64 R CB 0.283 30.161 30.300 -0.704 0.000 0.931 64 R HN 0.073 nan 8.270 nan 0.000 0.465 65 F N 0.964 120.840 119.950 -0.124 0.000 2.371 65 F HA 0.428 4.955 4.527 -0.000 0.000 0.343 65 F C -1.979 173.812 175.800 -0.016 0.000 1.150 65 F CA -2.581 55.351 58.000 -0.114 0.000 1.220 65 F CB 2.064 41.046 39.000 -0.031 0.000 1.475 65 F HN -0.045 nan 8.300 nan 0.000 0.521 66 P HA -0.090 nan 4.420 nan 0.000 0.225 66 P C 1.240 178.675 177.300 0.225 0.000 1.156 66 P CA 0.967 64.087 63.100 0.034 0.000 0.787 66 P CB 0.267 31.692 31.700 -0.458 0.000 0.802 67 K N -0.881 119.583 120.400 0.107 0.000 2.373 67 K HA 0.174 4.494 4.320 -0.001 0.000 0.202 67 K C -0.087 176.463 176.600 -0.083 0.000 1.025 67 K CA -0.327 56.021 56.287 0.102 0.000 1.115 67 K CB -0.059 32.547 32.500 0.176 0.000 0.858 67 K HN 0.003 nan 8.250 nan 0.000 0.525 68 V N 2.899 122.632 119.914 -0.302 0.000 2.678 68 V HA -0.133 3.987 4.120 -0.001 0.000 0.304 68 V C 1.399 177.191 176.094 -0.504 0.000 1.086 68 V CA 0.749 62.750 62.300 -0.497 0.000 1.246 68 V CB 0.234 31.663 31.823 -0.655 0.000 0.861 68 V HN 0.197 nan 8.190 nan 0.000 0.491 69 R N 2.023 122.361 120.500 -0.269 0.000 2.373 69 R HA 0.243 4.582 4.340 -0.001 0.000 0.221 69 R C 0.519 176.729 176.300 -0.149 0.000 0.893 69 R CA 0.192 56.193 56.100 -0.165 0.000 1.049 69 R CB 0.865 31.116 30.300 -0.083 0.000 1.119 69 R HN 0.617 nan 8.270 nan 0.000 0.535 70 S N 0.675 116.277 115.700 -0.162 0.000 2.733 70 S HA 0.484 4.954 4.470 -0.001 0.000 0.294 70 S C -1.139 173.399 174.600 -0.102 0.000 1.149 70 S CA -0.427 57.705 58.200 -0.113 0.000 1.034 70 S CB 1.275 64.420 63.200 -0.092 0.000 1.015 70 S HN -0.121 nan 8.310 nan 0.000 0.486 71 V N 5.024 124.894 119.914 -0.073 0.000 2.448 71 V HA 0.565 4.684 4.120 -0.001 0.000 0.295 71 V C -0.106 175.948 176.094 -0.067 0.000 1.025 71 V CA -0.648 61.616 62.300 -0.059 0.000 0.859 71 V CB 1.577 33.389 31.823 -0.018 0.000 0.988 71 V HN 0.891 nan 8.190 nan 0.000 0.431 72 E N 5.046 125.194 120.200 -0.085 0.000 2.187 72 E HA 0.715 5.064 4.350 -0.001 0.000 0.268 72 E C -1.836 174.597 176.600 -0.280 0.000 0.896 72 E CA -0.664 55.671 56.400 -0.108 0.000 0.766 72 E CB 1.832 31.555 29.700 0.037 0.000 1.142 72 E HN 0.611 nan 8.360 nan 0.000 0.408 73 L N 4.071 125.123 121.223 -0.285 0.000 2.381 73 L HA 0.511 4.851 4.340 -0.001 0.000 0.274 73 L C -0.652 176.037 176.870 -0.301 0.000 0.988 73 L CA -0.635 53.960 54.840 -0.408 0.000 0.824 73 L CB 1.938 43.686 42.059 -0.519 0.000 1.263 73 L HN 0.475 nan 8.230 nan 0.000 0.410 74 K N 1.325 121.529 120.400 -0.327 0.000 2.292 74 K HA 0.626 4.945 4.320 -0.001 0.000 0.257 74 K C 0.169 176.669 176.600 -0.166 0.000 0.940 74 K CA -0.422 55.748 56.287 -0.195 0.000 0.811 74 K CB 2.457 34.863 32.500 -0.156 0.000 1.120 74 K HN 0.708 nan 8.250 nan 0.000 0.428 75 G N 2.567 111.315 108.800 -0.085 0.000 2.529 75 G HA2 0.096 4.056 3.960 -0.001 0.000 0.220 75 G HA3 0.096 4.056 3.960 -0.001 0.000 0.220 75 G C -0.454 174.517 174.900 0.120 0.000 1.976 75 G CA -0.196 44.903 45.100 -0.003 0.000 0.789 75 G HN 0.391 nan 8.290 nan 0.000 0.695 76 K N 1.842 122.288 120.400 0.076 0.000 2.258 76 K HA 0.327 4.646 4.320 -0.001 0.000 0.264 76 K C -2.252 174.170 176.600 -0.297 0.000 1.007 76 K CA -1.281 54.904 56.287 -0.169 0.000 0.941 76 K CB 0.904 33.269 32.500 -0.224 0.000 0.966 76 K HN 0.177 nan 8.250 nan 0.000 0.480 77 P HA -0.053 nan 4.420 nan 0.000 0.274 77 P C 0.083 177.146 177.300 -0.395 0.000 1.256 77 P CA -0.059 62.769 63.100 -0.452 0.000 0.795 77 P CB 0.484 31.724 31.700 -0.767 0.000 1.038 78 H N -0.083 118.768 119.070 -0.365 0.000 2.353 78 H HA -0.118 4.438 4.556 -0.001 0.000 0.300 78 H C 1.251 176.351 175.328 -0.380 0.000 1.090 78 H CA 1.139 57.026 56.048 -0.268 0.000 1.327 78 H CB -0.157 29.528 29.762 -0.128 0.000 1.383 78 H HN 0.133 nan 8.280 nan 0.000 0.508 79 F N 1.418 120.818 119.950 -0.918 0.000 2.271 79 F HA -0.159 4.368 4.527 -0.001 0.000 0.302 79 F C 2.790 178.037 175.800 -0.922 0.000 1.063 79 F CA 0.828 58.205 58.000 -1.038 0.000 1.362 79 F CB -1.230 37.105 39.000 -1.108 0.000 1.060 79 F HN 0.307 nan 8.300 nan 0.000 0.521 80 A N -0.204 122.252 122.820 -0.607 0.000 2.019 80 A HA -0.191 4.129 4.320 -0.001 0.000 0.219 80 A C 1.888 179.221 177.584 -0.419 0.000 1.164 80 A CA 1.686 53.457 52.037 -0.444 0.000 0.644 80 A CB -0.701 18.084 19.000 -0.358 0.000 0.805 80 A HN 0.223 nan 8.150 nan 0.000 0.449 81 D N -0.864 119.159 120.400 -0.627 0.000 2.311 81 D HA -0.094 4.546 4.640 -0.001 0.000 0.212 81 D C 0.125 176.092 176.300 -0.554 0.000 0.972 81 D CA 0.954 54.570 54.000 -0.640 0.000 0.887 81 D CB -0.240 40.075 40.800 -0.808 0.000 0.915 81 D HN 0.525 nan 8.370 nan 0.000 0.497 82 F N 0.572 120.400 119.950 -0.202 0.000 2.850 82 F HA 0.221 4.748 4.527 -0.001 0.000 0.306 82 F C 0.342 176.055 175.800 -0.146 0.000 1.162 82 F CA -1.178 56.709 58.000 -0.189 0.000 1.327 82 F CB -1.241 37.567 39.000 -0.321 0.000 0.953 82 F HN -0.111 nan 8.300 nan 0.000 0.507 83 N N 0.909 119.599 118.700 -0.018 0.000 2.702 83 N HA -0.254 4.486 4.740 -0.001 0.000 0.255 83 N C 0.427 175.931 175.510 -0.010 0.000 0.983 83 N CA 0.510 53.546 53.050 -0.022 0.000 0.768 83 N CB -1.435 37.053 38.487 0.002 0.000 0.918 83 N HN 0.474 nan 8.380 nan 0.000 0.540 84 L N -0.531 120.664 121.223 -0.047 0.000 2.638 84 L HA 0.175 4.515 4.340 -0.001 0.000 0.232 84 L C 0.963 177.894 176.870 0.101 0.000 1.099 84 L CA 0.125 54.991 54.840 0.044 0.000 0.883 84 L CB 0.571 42.650 42.059 0.034 0.000 1.136 84 L HN 0.246 nan 8.230 nan 0.000 0.492 85 V N 1.333 121.215 119.914 -0.054 0.000 2.328 85 V HA 0.465 4.584 4.120 -0.001 0.000 0.278 85 V C -2.248 173.877 176.094 0.053 0.000 1.021 85 V CA -1.807 60.497 62.300 0.006 0.000 0.838 85 V CB 1.162 32.812 31.823 -0.288 0.000 0.999 85 V HN -0.057 nan 8.190 nan 0.000 0.447 86 P HA 0.190 nan 4.420 nan 0.000 0.269 86 P C -0.547 176.857 177.300 0.172 0.000 1.217 86 P CA -0.044 63.054 63.100 -0.003 0.000 0.783 86 P CB 0.344 31.798 31.700 -0.410 0.000 0.898 87 D N 0.490 120.965 120.400 0.126 0.000 2.472 87 D HA 0.231 4.871 4.640 -0.001 0.000 0.237 87 D C 1.543 178.071 176.300 0.379 0.000 1.141 87 D CA 1.819 55.940 54.000 0.201 0.000 0.875 87 D CB 0.105 40.986 40.800 0.134 0.000 1.192 87 D HN 0.673 nan 8.370 nan 0.000 0.450 88 G N 1.889 110.895 108.800 0.343 0.000 2.176 88 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.253 88 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.253 88 G C 0.881 175.971 174.900 0.316 0.000 0.979 88 G CA 0.512 45.821 45.100 0.348 0.000 0.641 88 G HN 0.615 nan 8.290 nan 0.000 0.530 89 W N 1.002 122.442 121.300 0.233 0.000 2.355 89 W HA 0.326 4.986 4.660 -0.001 0.000 0.309 89 W C 1.424 177.967 176.519 0.039 0.000 1.206 89 W CA 3.441 60.882 57.345 0.160 0.000 1.284 89 W CB 0.019 29.615 29.460 0.228 0.000 1.145 89 W HN 1.141 nan 8.180 nan 0.000 0.502 90 G N -3.007 105.777 108.800 -0.026 0.000 2.398 90 G HA2 0.359 4.319 3.960 -0.001 0.000 0.251 90 G HA3 0.359 4.319 3.960 -0.001 0.000 0.251 90 G C 0.355 175.137 174.900 -0.198 0.000 1.277 90 G CA 0.089 44.939 45.100 -0.417 0.000 0.927 90 G HN 1.019 nan 8.290 nan 0.000 0.477 91 G N -1.320 107.502 108.800 0.037 0.000 2.171 91 G HA2 -0.128 3.832 3.960 -0.001 0.000 0.238 91 G HA3 -0.128 3.832 3.960 -0.001 0.000 0.238 91 G C 0.144 174.985 174.900 -0.098 0.000 1.039 91 G CA 0.639 45.753 45.100 0.023 0.000 0.759 91 G HN 1.297 nan 8.290 nan 0.000 0.501 92 Y N -1.238 119.187 120.300 0.208 0.000 2.377 92 Y HA 0.375 4.925 4.550 -0.001 0.000 0.330 92 Y C 1.433 177.474 175.900 0.235 0.000 1.108 92 Y CA 0.247 58.468 58.100 0.201 0.000 1.308 92 Y CB 1.749 40.328 38.460 0.199 0.000 1.216 92 Y HN 0.029 nan 8.280 nan 0.000 0.518 93 V N 4.730 124.870 119.914 0.375 0.000 3.471 93 V HA -0.148 3.972 4.120 -0.001 0.000 0.258 93 V C 1.618 177.927 176.094 0.359 0.000 1.192 93 V CA 0.621 63.121 62.300 0.333 0.000 1.116 93 V CB -0.735 31.177 31.823 0.148 0.000 0.792 93 V HN 0.948 nan 8.190 nan 0.000 0.459 94 Y N 2.747 123.181 120.300 0.223 0.000 2.096 94 Y HA -0.217 4.332 4.550 -0.001 0.000 0.278 94 Y C -0.315 175.649 175.900 0.107 0.000 1.192 94 Y CA 3.072 61.251 58.100 0.131 0.000 1.143 94 Y CB -1.435 37.065 38.460 0.065 0.000 0.963 94 Y HN 0.361 nan 8.280 nan 0.000 0.505 95 P HA -0.154 nan 4.420 nan 0.000 0.220 95 P C 0.845 178.038 177.300 -0.178 0.000 1.148 95 P CA 2.021 65.077 63.100 -0.072 0.000 0.803 95 P CB -0.306 31.344 31.700 -0.084 0.000 0.782 96 W N -0.718 120.542 121.300 -0.067 0.000 2.379 96 W HA -0.075 4.585 4.660 -0.001 0.000 0.307 96 W C 2.006 178.468 176.519 -0.094 0.000 1.200 96 W CA 0.438 57.749 57.345 -0.056 0.000 1.297 96 W CB -1.060 28.389 29.460 -0.018 0.000 1.140 96 W HN -0.152 nan 8.180 nan 0.000 0.507 97 I N 0.308 120.918 120.570 0.066 0.000 2.286 97 I HA -0.280 3.890 4.170 -0.001 0.000 0.248 97 I C 2.293 178.287 176.117 -0.205 0.000 1.115 97 I CA 1.850 63.126 61.300 -0.041 0.000 1.392 97 I CB -0.994 36.934 38.000 -0.120 0.000 1.065 97 I HN 0.019 nan 8.210 nan 0.000 0.418 98 E N 0.905 120.856 120.200 -0.415 0.000 2.049 98 E HA -0.276 4.074 4.350 -0.001 0.000 0.198 98 E C 2.270 178.733 176.600 -0.228 0.000 1.007 98 E CA 1.833 58.002 56.400 -0.384 0.000 0.809 98 E CB -0.221 29.255 29.700 -0.373 0.000 0.749 98 E HN 0.452 nan 8.360 nan 0.000 0.450 99 A N 0.536 123.233 122.820 -0.205 0.000 1.898 99 A HA -0.149 4.170 4.320 -0.001 0.000 0.216 99 A C 2.271 179.745 177.584 -0.183 0.000 1.181 99 A CA 1.800 53.717 52.037 -0.200 0.000 0.620 99 A CB -0.522 18.333 19.000 -0.241 0.000 0.819 99 A HN 0.371 nan 8.150 nan 0.000 0.442 100 M N 0.619 120.167 119.600 -0.087 0.000 2.229 100 M HA -0.124 4.355 4.480 -0.001 0.000 0.264 100 M C 2.404 178.742 176.300 0.064 0.000 1.063 100 M CA 1.639 56.926 55.300 -0.021 0.000 1.114 100 M CB -0.578 32.185 32.600 0.272 0.000 1.387 100 M HN 0.635 nan 8.290 nan 0.000 0.420 101 S N 0.614 116.296 115.700 -0.030 0.000 2.382 101 S HA -0.136 4.333 4.470 -0.001 0.000 0.228 101 S C 2.037 176.545 174.600 -0.154 0.000 1.027 101 S CA 1.422 59.514 58.200 -0.181 0.000 0.991 101 S CB -0.844 62.175 63.200 -0.302 0.000 0.823 101 S HN 0.588 nan 8.310 nan 0.000 0.469 102 S N 2.657 118.271 115.700 -0.143 0.000 2.353 102 S HA -0.132 4.337 4.470 -0.001 0.000 0.222 102 S C 1.987 176.511 174.600 -0.126 0.000 1.035 102 S CA 1.604 59.723 58.200 -0.135 0.000 1.025 102 S CB -1.111 62.012 63.200 -0.127 0.000 0.902 102 S HN 0.634 nan 8.310 nan 0.000 0.440 103 S N -0.185 115.419 115.700 -0.161 0.000 2.483 103 S HA 0.259 4.728 4.470 -0.001 0.000 0.221 103 S C 0.422 175.054 174.600 0.054 0.000 1.030 103 S CA -0.253 57.864 58.200 -0.138 0.000 0.925 103 S CB -0.323 62.738 63.200 -0.230 0.000 0.795 103 S HN 0.668 nan 8.310 nan 0.000 0.511 104 Y N 3.220 123.543 120.300 0.039 0.000 2.827 104 Y HA 0.160 4.709 4.550 -0.001 0.000 0.373 104 Y C 1.390 177.347 175.900 0.094 0.000 1.198 104 Y CA -0.839 57.302 58.100 0.068 0.000 1.589 104 Y CB -0.471 38.046 38.460 0.095 0.000 1.682 104 Y HN 0.230 nan 8.280 nan 0.000 0.506 105 T N -3.289 111.235 114.554 -0.050 0.000 2.946 105 T HA -0.222 4.127 4.350 -0.001 0.000 0.271 105 T C 0.786 175.489 174.700 0.005 0.000 1.104 105 T CA 1.047 62.977 62.100 -0.283 0.000 1.114 105 T CB -0.163 68.071 68.868 -1.056 0.000 0.867 105 T HN 0.647 nan 8.240 nan 0.000 0.513 106 W N 0.411 121.865 121.300 0.256 0.000 2.991 106 W HA 0.562 5.222 4.660 -0.001 0.000 0.391 106 W C -0.166 176.401 176.519 0.081 0.000 1.054 106 W CA -1.421 56.023 57.345 0.165 0.000 1.856 106 W CB 0.160 29.686 29.460 0.111 0.000 1.132 106 W HN 0.035 nan 8.180 nan 0.000 0.601 107 L N 1.961 123.309 121.223 0.208 0.000 2.678 107 L HA -0.170 4.170 4.340 -0.001 0.000 0.285 107 L C 1.114 177.992 176.870 0.013 0.000 1.233 107 L CA 1.636 56.399 54.840 -0.127 0.000 0.920 107 L CB 0.640 42.248 42.059 -0.752 0.000 1.176 107 L HN 0.131 nan 8.230 nan 0.000 0.495 108 E N 2.396 122.603 120.200 0.012 0.000 2.372 108 E HA 0.139 4.488 4.350 -0.001 0.000 0.201 108 E C -0.467 176.082 176.600 -0.085 0.000 0.938 108 E CA 0.293 56.708 56.400 0.024 0.000 0.944 108 E CB 0.450 30.137 29.700 -0.022 0.000 0.937 108 E HN 0.668 nan 8.360 nan 0.000 0.495 109 E N 0.635 120.810 120.200 -0.041 0.000 2.304 109 E HA 0.442 4.792 4.350 -0.001 0.000 0.277 109 E C -1.205 175.420 176.600 0.041 0.000 0.898 109 E CA -0.269 56.098 56.400 -0.055 0.000 0.764 109 E CB 2.638 32.284 29.700 -0.090 0.000 1.216 109 E HN -0.052 nan 8.360 nan 0.000 0.419 110 I N 2.952 123.599 120.570 0.129 0.000 2.447 110 I HA 0.370 4.540 4.170 -0.001 0.000 0.287 110 I C -0.702 175.444 176.117 0.049 0.000 1.023 110 I CA -0.634 60.722 61.300 0.094 0.000 1.083 110 I CB 1.257 39.354 38.000 0.161 0.000 1.245 110 I HN 0.292 nan 8.210 nan 0.000 0.434 111 R N 7.409 127.909 120.500 -0.001 0.000 2.439 111 R HA 0.719 5.059 4.340 -0.001 0.000 0.310 111 R C -1.460 174.819 176.300 -0.035 0.000 0.955 111 R CA -0.822 55.277 56.100 -0.002 0.000 0.853 111 R CB 1.710 32.017 30.300 0.011 0.000 1.171 111 R HN 0.472 nan 8.270 nan 0.000 0.449 112 L N 2.396 123.602 121.223 -0.029 0.000 2.346 112 L HA 0.570 4.910 4.340 -0.001 0.000 0.276 112 L C -0.138 176.720 176.870 -0.020 0.000 1.006 112 L CA -0.857 53.951 54.840 -0.054 0.000 0.817 112 L CB 2.017 44.047 42.059 -0.050 0.000 1.272 112 L HN 0.471 nan 8.230 nan 0.000 0.421 113 K N 2.638 123.017 120.400 -0.035 0.000 2.397 113 K HA 0.432 4.751 4.320 -0.001 0.000 0.253 113 K C -0.543 176.050 176.600 -0.013 0.000 0.932 113 K CA -0.812 55.472 56.287 -0.004 0.000 0.795 113 K CB 1.577 34.079 32.500 0.003 0.000 1.159 113 K HN 0.476 nan 8.250 nan 0.000 0.424 114 R N 2.329 122.837 120.500 0.012 0.000 3.251 114 R HA -0.178 4.161 4.340 -0.001 0.000 0.249 114 R C -0.249 176.063 176.300 0.019 0.000 0.949 114 R CA 0.775 56.881 56.100 0.010 0.000 0.645 114 R CB -1.266 29.020 30.300 -0.022 0.000 1.065 114 R HN 0.458 nan 8.270 nan 0.000 0.452 115 M N -0.216 119.401 119.600 0.028 0.000 2.578 115 M HA 0.335 4.815 4.480 -0.001 0.000 0.321 115 M C 0.504 176.849 176.300 0.076 0.000 1.182 115 M CA -1.089 54.230 55.300 0.032 0.000 0.965 115 M CB 1.543 34.149 32.600 0.010 0.000 1.694 115 M HN -0.206 nan 8.290 nan 0.000 0.461 116 V N 2.924 122.873 119.914 0.059 0.000 2.470 116 V HA 0.253 4.373 4.120 -0.001 0.000 0.276 116 V C -0.025 176.203 176.094 0.223 0.000 1.040 116 V CA -0.305 62.078 62.300 0.140 0.000 1.008 116 V CB 0.681 32.553 31.823 0.082 0.000 0.990 116 V HN 0.630 nan 8.190 nan 0.000 0.477 117 V N 4.166 124.227 119.914 0.244 0.000 2.577 117 V HA 0.474 4.594 4.120 -0.001 0.000 0.303 117 V C 0.058 176.296 176.094 0.240 0.000 1.042 117 V CA -0.365 62.040 62.300 0.174 0.000 0.872 117 V CB 2.131 33.945 31.823 -0.016 0.000 0.998 117 V HN 0.868 nan 8.190 nan 0.000 0.423 118 T N 2.068 116.732 114.554 0.183 0.000 2.940 118 T HA 0.280 4.629 4.350 -0.001 0.000 0.288 118 T C 0.635 175.410 174.700 0.125 0.000 1.033 118 T CA -0.340 61.864 62.100 0.172 0.000 1.033 118 T CB 1.761 70.704 68.868 0.125 0.000 1.079 118 T HN 0.758 nan 8.240 nan 0.000 0.496 119 D N 1.273 121.739 120.400 0.110 0.000 2.123 119 D HA -0.107 4.532 4.640 -0.001 0.000 0.196 119 D C 1.602 177.926 176.300 0.040 0.000 0.992 119 D CA 1.153 55.193 54.000 0.066 0.000 0.833 119 D CB -0.024 40.803 40.800 0.046 0.000 0.954 119 D HN 0.479 nan 8.370 nan 0.000 0.455 120 D N -0.087 120.335 120.400 0.037 0.000 2.160 120 D HA -0.183 4.457 4.640 -0.001 0.000 0.189 120 D C 2.240 178.626 176.300 0.143 0.000 1.003 120 D CA 1.013 55.046 54.000 0.056 0.000 0.846 120 D CB -0.717 40.065 40.800 -0.030 0.000 0.949 120 D HN 0.228 nan 8.370 nan 0.000 0.446 121 C N 0.202 119.630 119.300 0.214 0.000 2.392 121 C HA -0.176 4.284 4.460 -0.001 0.000 0.276 121 C C 2.941 177.946 174.990 0.025 0.000 1.212 121 C CA 0.471 59.594 59.018 0.174 0.000 1.791 121 C CB -1.257 26.569 27.740 0.144 0.000 2.063 121 C HN 0.364 nan 8.230 nan 0.000 0.481 122 L N -0.194 121.025 121.223 -0.007 0.000 2.127 122 L HA -0.061 4.279 4.340 -0.001 0.000 0.203 122 L C 2.588 179.420 176.870 -0.063 0.000 1.080 122 L CA 1.272 56.073 54.840 -0.066 0.000 0.768 122 L CB -0.596 41.407 42.059 -0.094 0.000 0.924 122 L HN 0.296 nan 8.230 nan 0.000 0.444 123 E N 0.142 120.321 120.200 -0.036 0.000 2.051 123 E HA -0.266 4.084 4.350 -0.001 0.000 0.192 123 E C 2.041 178.598 176.600 -0.071 0.000 0.991 123 E CA 1.153 57.528 56.400 -0.042 0.000 0.799 123 E CB -0.138 29.549 29.700 -0.021 0.000 0.748 123 E HN 0.168 nan 8.360 nan 0.000 0.449 124 L N 0.875 122.061 121.223 -0.063 0.000 2.043 124 L HA -0.222 4.118 4.340 -0.001 0.000 0.212 124 L C 1.944 178.661 176.870 -0.254 0.000 1.075 124 L CA 1.557 56.319 54.840 -0.130 0.000 0.752 124 L CB -0.320 41.685 42.059 -0.090 0.000 0.891 124 L HN 0.228 nan 8.230 nan 0.000 0.432 125 I N -0.614 119.834 120.570 -0.203 0.000 2.163 125 I HA -0.304 3.866 4.170 -0.001 0.000 0.243 125 I C 2.563 178.512 176.117 -0.280 0.000 1.085 125 I CA 1.511 62.658 61.300 -0.255 0.000 1.347 125 I CB -1.443 36.410 38.000 -0.245 0.000 1.044 125 I HN 0.368 nan 8.210 nan 0.000 0.408 126 A N 1.179 123.896 122.820 -0.171 0.000 1.897 126 A HA -0.206 4.114 4.320 -0.001 0.000 0.215 126 A C 2.331 179.861 177.584 -0.090 0.000 1.181 126 A CA 1.647 53.632 52.037 -0.086 0.000 0.620 126 A CB -0.448 18.523 19.000 -0.048 0.000 0.821 126 A HN 0.485 nan 8.150 nan 0.000 0.443 127 K N -0.612 119.707 120.400 -0.135 0.000 2.444 127 K HA 0.167 4.486 4.320 -0.001 0.000 0.193 127 K C 0.856 177.339 176.600 -0.194 0.000 1.024 127 K CA 1.032 57.249 56.287 -0.116 0.000 1.077 127 K CB 0.062 32.508 32.500 -0.088 0.000 0.833 127 K HN 0.319 nan 8.250 nan 0.000 0.517 128 S N -0.066 115.406 115.700 -0.379 0.000 2.527 128 S HA 0.240 4.710 4.470 -0.001 0.000 0.227 128 S C -0.169 174.095 174.600 -0.561 0.000 1.059 128 S CA -0.308 57.542 58.200 -0.583 0.000 0.919 128 S CB 0.160 62.804 63.200 -0.927 0.000 0.805 128 S HN 0.242 nan 8.310 nan 0.000 0.500 129 F N 2.022 121.964 119.950 -0.013 0.000 2.347 129 F HA 0.487 5.014 4.527 -0.001 0.000 0.366 129 F C 0.940 176.852 175.800 0.187 0.000 1.107 129 F CA -0.878 57.179 58.000 0.095 0.000 1.058 129 F CB 1.227 40.280 39.000 0.087 0.000 1.236 129 F HN -0.117 nan 8.300 nan 0.000 0.456 130 K N 1.583 122.219 120.400 0.394 0.000 2.305 130 K HA -0.020 4.300 4.320 -0.001 0.000 0.199 130 K C 1.114 177.910 176.600 0.326 0.000 1.047 130 K CA 0.838 57.313 56.287 0.315 0.000 0.976 130 K CB 0.100 32.773 32.500 0.287 0.000 0.765 130 K HN 0.464 nan 8.250 nan 0.000 0.474 131 N N -0.089 118.845 118.700 0.390 0.000 2.276 131 N HA 0.043 4.782 4.740 -0.001 0.000 0.212 131 N C -0.874 174.827 175.510 0.318 0.000 1.127 131 N CA -0.325 52.903 53.050 0.296 0.000 0.834 131 N CB 0.031 38.672 38.487 0.256 0.000 1.014 131 N HN 0.002 nan 8.380 nan 0.000 0.491 132 F N 1.214 121.289 119.950 0.209 0.000 2.635 132 F HA -0.054 4.473 4.527 -0.001 0.000 0.379 132 F C 1.359 177.228 175.800 0.115 0.000 1.094 132 F CA 0.968 59.057 58.000 0.150 0.000 1.300 132 F CB 0.743 39.867 39.000 0.208 0.000 1.035 132 F HN -0.008 nan 8.300 nan 0.000 0.581 133 K N 2.330 122.320 120.400 -0.685 0.000 2.485 133 K HA 0.312 4.632 4.320 -0.001 0.000 0.200 133 K C -1.059 175.243 176.600 -0.497 0.000 1.352 133 K CA 0.252 56.295 56.287 -0.407 0.000 0.953 133 K CB 0.957 33.340 32.500 -0.194 0.000 1.387 133 K HN 0.318 nan 8.250 nan 0.000 0.512 134 V N 2.573 122.054 119.914 -0.721 0.000 2.524 134 V HA 0.298 4.418 4.120 -0.001 0.000 0.297 134 V C -1.620 174.247 176.094 -0.379 0.000 1.035 134 V CA -0.827 61.236 62.300 -0.395 0.000 0.867 134 V CB 1.776 33.479 31.823 -0.200 0.000 1.004 134 V HN 0.075 nan 8.190 nan 0.000 0.426 135 L N 7.053 128.190 121.223 -0.143 0.000 2.294 135 L HA 0.703 5.043 4.340 -0.001 0.000 0.283 135 L C -0.657 176.244 176.870 0.051 0.000 1.015 135 L CA -0.072 54.831 54.840 0.104 0.000 0.831 135 L CB 1.647 43.855 42.059 0.248 0.000 1.217 135 L HN 0.420 nan 8.230 nan 0.000 0.420 136 V N 6.963 126.901 119.914 0.040 0.000 2.334 136 V HA 0.429 4.549 4.120 -0.001 0.000 0.281 136 V C -0.170 175.941 176.094 0.029 0.000 1.016 136 V CA -0.433 61.888 62.300 0.035 0.000 0.832 136 V CB 1.540 33.379 31.823 0.027 0.000 0.999 136 V HN 0.550 nan 8.190 nan 0.000 0.439 137 L N 4.599 125.843 121.223 0.035 0.000 2.295 137 L HA 0.553 4.893 4.340 -0.001 0.000 0.281 137 L C 0.071 176.996 176.870 0.091 0.000 1.018 137 L CA -0.026 54.835 54.840 0.036 0.000 0.841 137 L CB 1.705 43.754 42.059 -0.017 0.000 1.218 137 L HN 0.630 nan 8.230 nan 0.000 0.424 138 S N 1.684 117.432 115.700 0.079 0.000 2.596 138 S HA 0.360 4.829 4.470 -0.001 0.000 0.318 138 S C 0.281 174.935 174.600 0.090 0.000 1.097 138 S CA -0.366 57.887 58.200 0.089 0.000 1.080 138 S CB 0.988 64.232 63.200 0.073 0.000 0.991 138 S HN 0.624 nan 8.310 nan 0.000 0.471 139 S N 2.360 118.122 115.700 0.105 0.000 3.628 139 S HA -0.145 4.324 4.470 -0.001 0.000 0.373 139 S C 0.251 174.906 174.600 0.092 0.000 0.968 139 S CA 0.661 58.913 58.200 0.087 0.000 1.215 139 S CB -2.343 60.892 63.200 0.058 0.000 0.912 139 S HN 0.797 nan 8.310 nan 0.000 0.495 140 C N 1.324 120.714 119.300 0.150 0.000 2.399 140 C HA 0.773 5.232 4.460 -0.001 0.000 0.348 140 C C 0.564 175.688 174.990 0.223 0.000 1.183 140 C CA -0.796 58.341 59.018 0.198 0.000 2.023 140 C CB 1.433 29.325 27.740 0.253 0.000 2.361 140 C HN 0.802 nan 8.230 nan 0.000 0.521 141 E N -0.102 120.220 120.200 0.204 0.000 2.369 141 E HA 0.675 5.024 4.350 -0.001 0.000 0.270 141 E C 0.019 176.751 176.600 0.221 0.000 0.909 141 E CA -0.408 56.063 56.400 0.119 0.000 0.775 141 E CB 1.590 31.324 29.700 0.056 0.000 1.270 141 E HN 1.033 nan 8.360 nan 0.000 0.445 142 G N 0.458 109.316 108.800 0.096 0.000 2.234 142 G HA2 -0.095 3.865 3.960 -0.001 0.000 0.153 142 G HA3 -0.095 3.865 3.960 -0.001 0.000 0.153 142 G C -0.435 174.586 174.900 0.201 0.000 1.013 142 G CA -0.108 45.082 45.100 0.151 0.000 0.712 142 G HN 0.545 nan 8.290 nan 0.000 0.491 143 F N 0.288 120.243 119.950 0.008 0.000 2.782 143 F HA 0.931 5.457 4.527 -0.001 0.000 0.366 143 F C 0.174 175.948 175.800 -0.044 0.000 1.171 143 F CA -0.809 57.181 58.000 -0.015 0.000 1.064 143 F CB 1.309 40.296 39.000 -0.023 0.000 1.449 143 F HN 0.636 nan 8.300 nan 0.000 0.520 144 S N -1.596 114.156 115.700 0.087 0.000 2.625 144 S HA 0.321 4.790 4.470 -0.001 0.000 0.271 144 S C 0.304 174.873 174.600 -0.051 0.000 1.161 144 S CA -0.050 58.104 58.200 -0.077 0.000 0.820 144 S CB 0.788 63.965 63.200 -0.039 0.000 1.137 144 S HN 1.229 nan 8.310 nan 0.000 0.470 145 T N -1.172 113.308 114.554 -0.124 0.000 2.977 145 T HA -0.052 4.297 4.350 -0.001 0.000 0.271 145 T C 0.870 175.505 174.700 -0.109 0.000 1.105 145 T CA 1.689 63.663 62.100 -0.210 0.000 1.116 145 T CB -0.802 68.027 68.868 -0.065 0.000 0.878 145 T HN 0.567 nan 8.240 nan 0.000 0.509 146 D N 1.772 122.147 120.400 -0.041 0.000 2.117 146 D HA 0.020 4.660 4.640 -0.001 0.000 0.197 146 D C 2.392 178.656 176.300 -0.060 0.000 0.987 146 D CA 1.399 55.379 54.000 -0.033 0.000 0.829 146 D CB -0.925 39.869 40.800 -0.010 0.000 0.961 146 D HN 0.576 nan 8.370 nan 0.000 0.460 147 G N 0.944 109.723 108.800 -0.035 0.000 2.433 147 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.216 147 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.216 147 G C 1.777 176.612 174.900 -0.110 0.000 1.186 147 G CA 0.541 45.617 45.100 -0.040 0.000 0.779 147 G HN 0.266 nan 8.290 nan 0.000 0.543 148 L N 1.025 122.136 121.223 -0.186 0.000 2.043 148 L HA -0.124 4.216 4.340 -0.001 0.000 0.212 148 L C 3.403 180.175 176.870 -0.164 0.000 1.075 148 L CA 1.156 55.814 54.840 -0.303 0.000 0.752 148 L CB -0.816 40.752 42.059 -0.819 0.000 0.891 148 L HN 0.276 nan 8.230 nan 0.000 0.432 149 A N 0.470 123.220 122.820 -0.117 0.000 1.954 149 A HA -0.330 3.990 4.320 -0.001 0.000 0.222 149 A C 2.547 179.991 177.584 -0.234 0.000 1.199 149 A CA 2.623 54.514 52.037 -0.245 0.000 0.657 149 A CB -0.877 17.860 19.000 -0.438 0.000 0.823 149 A HN 0.485 nan 8.150 nan 0.000 0.463 150 A N -0.375 122.356 122.820 -0.149 0.000 1.854 150 A HA 0.026 4.346 4.320 -0.001 0.000 0.214 150 A C 2.020 179.555 177.584 -0.081 0.000 1.192 150 A CA 1.410 53.390 52.037 -0.094 0.000 0.611 150 A CB -0.505 18.455 19.000 -0.067 0.000 0.832 150 A HN 0.411 nan 8.150 nan 0.000 0.442 151 I N 0.413 120.934 120.570 -0.082 0.000 2.145 151 I HA -0.327 3.843 4.170 -0.001 0.000 0.244 151 I C 2.821 178.860 176.117 -0.131 0.000 1.075 151 I CA 1.879 63.149 61.300 -0.049 0.000 1.332 151 I CB -1.603 36.388 38.000 -0.015 0.000 1.033 151 I HN 0.374 nan 8.210 nan 0.000 0.410 152 A N 0.093 122.728 122.820 -0.309 0.000 2.119 152 A HA 0.121 4.441 4.320 -0.001 0.000 0.217 152 A C 2.424 179.741 177.584 -0.445 0.000 1.153 152 A CA 1.440 53.013 52.037 -0.774 0.000 0.692 152 A CB -0.439 17.523 19.000 -1.729 0.000 0.799 152 A HN 0.453 nan 8.150 nan 0.000 0.458 153 A N -1.581 121.141 122.820 -0.163 0.000 1.997 153 A HA 0.133 4.452 4.320 -0.001 0.000 0.212 153 A C 2.111 179.697 177.584 0.004 0.000 1.178 153 A CA 1.768 53.789 52.037 -0.027 0.000 0.698 153 A CB -0.333 18.714 19.000 0.078 0.000 0.842 153 A HN 0.348 nan 8.150 nan 0.000 0.458 154 T N -1.401 113.156 114.554 0.005 0.000 3.034 154 T HA 0.037 4.386 4.350 -0.001 0.000 0.248 154 T C 0.629 175.387 174.700 0.096 0.000 1.040 154 T CA 0.386 62.514 62.100 0.047 0.000 1.107 154 T CB -0.252 68.632 68.868 0.027 0.000 0.932 154 T HN 0.339 nan 8.240 nan 0.000 0.474 155 C N 4.540 123.906 119.300 0.110 0.000 2.485 155 C HA 0.221 4.681 4.460 -0.001 0.000 0.408 155 C C 2.087 177.229 174.990 0.254 0.000 1.034 155 C CA -1.049 58.097 59.018 0.214 0.000 1.267 155 C CB -1.648 26.262 27.740 0.283 0.000 1.703 155 C HN 0.564 nan 8.230 nan 0.000 0.530 156 R N 1.616 122.265 120.500 0.249 0.000 2.193 156 R HA -0.065 4.274 4.340 -0.001 0.000 0.229 156 R C 1.113 177.617 176.300 0.339 0.000 1.110 156 R CA 1.687 57.971 56.100 0.307 0.000 0.988 156 R CB -0.293 30.141 30.300 0.223 0.000 0.871 156 R HN 0.529 nan 8.270 nan 0.000 0.458 157 N N 0.286 119.150 118.700 0.273 0.000 2.236 157 N HA 0.058 4.797 4.740 -0.001 0.000 0.196 157 N C -0.361 175.258 175.510 0.181 0.000 1.114 157 N CA -0.309 52.853 53.050 0.186 0.000 0.859 157 N CB 0.281 38.850 38.487 0.136 0.000 0.982 157 N HN 0.125 nan 8.380 nan 0.000 0.493 158 L N 1.957 123.367 121.223 0.311 0.000 2.543 158 L HA -0.107 4.233 4.340 -0.001 0.000 0.285 158 L C 1.313 178.295 176.870 0.185 0.000 1.236 158 L CA 0.991 55.977 54.840 0.244 0.000 0.871 158 L CB 0.626 42.908 42.059 0.371 0.000 1.121 158 L HN 0.058 nan 8.230 nan 0.000 0.501 159 K N 2.551 122.984 120.400 0.054 0.000 2.443 159 K HA 0.257 4.577 4.320 -0.001 0.000 0.200 159 K C -0.505 176.112 176.600 0.027 0.000 1.278 159 K CA 0.040 56.341 56.287 0.024 0.000 0.925 159 K CB 0.777 33.259 32.500 -0.030 0.000 1.225 159 K HN 0.565 nan 8.250 nan 0.000 0.514 160 E N 1.839 122.042 120.200 0.005 0.000 2.216 160 E HA 0.284 4.634 4.350 -0.001 0.000 0.260 160 E C -1.552 175.081 176.600 0.054 0.000 0.880 160 E CA -0.719 55.695 56.400 0.023 0.000 0.765 160 E CB 2.138 31.831 29.700 -0.011 0.000 1.174 160 E HN -0.116 nan 8.360 nan 0.000 0.417 161 L N 3.465 124.759 121.223 0.118 0.000 2.283 161 L HA 0.318 4.658 4.340 -0.001 0.000 0.281 161 L C -0.976 175.966 176.870 0.121 0.000 1.033 161 L CA -0.230 54.693 54.840 0.138 0.000 0.848 161 L CB 0.742 42.939 42.059 0.230 0.000 1.226 161 L HN 0.433 nan 8.230 nan 0.000 0.429 162 D N 4.955 125.409 120.400 0.090 0.000 2.440 162 D HA 0.298 4.937 4.640 -0.001 0.000 0.239 162 D C -0.325 176.034 176.300 0.098 0.000 1.084 162 D CA -0.234 53.820 54.000 0.090 0.000 0.843 162 D CB 1.194 42.032 40.800 0.064 0.000 1.097 162 D HN 0.510 nan 8.370 nan 0.000 0.531 163 L N 4.745 126.042 121.223 0.123 0.000 3.108 163 L HA 0.316 4.655 4.340 -0.001 0.000 0.251 163 L C 0.863 177.824 176.870 0.152 0.000 1.315 163 L CA -0.707 54.221 54.840 0.147 0.000 1.048 163 L CB -0.199 41.962 42.059 0.170 0.000 1.432 163 L HN 0.111 nan 8.230 nan 0.000 0.543 164 R N 0.539 121.120 120.500 0.135 0.000 2.449 164 R HA 0.098 4.438 4.340 -0.001 0.000 0.296 164 R C 0.056 176.444 176.300 0.147 0.000 1.047 164 R CA -0.369 55.817 56.100 0.143 0.000 1.018 164 R CB 0.171 30.547 30.300 0.127 0.000 0.962 164 R HN 0.347 nan 8.270 nan 0.000 0.428 165 E N -0.007 120.288 120.200 0.159 0.000 2.604 165 E HA -0.247 4.103 4.350 -0.001 0.000 0.255 165 E C -0.867 175.799 176.600 0.110 0.000 1.164 165 E CA 1.092 57.576 56.400 0.141 0.000 0.737 165 E CB -1.898 27.890 29.700 0.147 0.000 1.317 165 E HN 0.677 nan 8.360 nan 0.000 0.417 166 S N 0.820 116.592 115.700 0.120 0.000 2.585 166 S HA 0.193 4.662 4.470 -0.001 0.000 0.273 166 S C 0.162 174.766 174.600 0.006 0.000 1.339 166 S CA -0.401 57.863 58.200 0.108 0.000 1.028 166 S CB 1.162 64.504 63.200 0.238 0.000 0.906 166 S HN 0.247 nan 8.310 nan 0.000 0.528 167 D N 2.110 122.467 120.400 -0.071 0.000 2.473 167 D HA 0.341 4.981 4.640 -0.001 0.000 0.226 167 D C -1.064 175.026 176.300 -0.350 0.000 1.089 167 D CA -0.375 53.543 54.000 -0.137 0.000 0.883 167 D CB 0.532 41.282 40.800 -0.084 0.000 1.029 167 D HN 0.114 nan 8.370 nan 0.000 0.517 168 V N 3.640 123.340 119.914 -0.356 0.000 2.370 168 V HA 0.151 4.271 4.120 -0.001 0.000 0.279 168 V C 0.271 176.169 176.094 -0.328 0.000 1.029 168 V CA -1.048 60.931 62.300 -0.535 0.000 0.870 168 V CB 1.427 32.946 31.823 -0.507 0.000 0.984 168 V HN 0.500 nan 8.190 nan 0.000 0.451 169 D N 3.687 123.886 120.400 -0.334 0.000 2.349 169 D HA -0.051 4.589 4.640 -0.001 0.000 0.266 169 D C -0.084 176.141 176.300 -0.125 0.000 1.293 169 D CA 0.254 54.149 54.000 -0.175 0.000 0.926 169 D CB 0.413 41.139 40.800 -0.124 0.000 1.090 169 D HN 0.491 nan 8.370 nan 0.000 0.502 170 D N 4.068 124.417 120.400 -0.085 0.000 2.557 170 D HA 0.082 4.722 4.640 -0.001 0.000 0.236 170 D C 0.709 177.007 176.300 -0.004 0.000 1.154 170 D CA -0.291 53.677 54.000 -0.052 0.000 0.985 170 D CB 1.198 41.972 40.800 -0.043 0.000 1.010 170 D HN 0.255 nan 8.370 nan 0.000 0.516 171 V N 1.008 120.928 119.914 0.011 0.000 3.174 171 V HA 0.039 4.158 4.120 -0.001 0.000 0.254 171 V C 0.881 177.016 176.094 0.068 0.000 1.120 171 V CA 0.639 62.955 62.300 0.028 0.000 1.114 171 V CB 0.000 31.835 31.823 0.020 0.000 0.756 171 V HN 0.588 nan 8.190 nan 0.000 0.467 172 S N -1.752 114.024 115.700 0.126 0.000 2.710 172 S HA 0.420 4.890 4.470 -0.001 0.000 0.274 172 S C 0.173 174.956 174.600 0.306 0.000 1.029 172 S CA 0.037 58.337 58.200 0.167 0.000 0.864 172 S CB 0.722 64.002 63.200 0.134 0.000 1.103 172 S HN 0.306 nan 8.310 nan 0.000 0.460 173 G N -0.212 108.735 108.800 0.244 0.000 3.126 173 G HA2 0.143 4.103 3.960 -0.001 0.000 0.224 173 G HA3 0.143 4.103 3.960 -0.001 0.000 0.224 173 G C 0.806 175.693 174.900 -0.022 0.000 1.142 173 G CA 0.584 45.796 45.100 0.187 0.000 0.759 173 G HN 1.002 nan 8.290 nan 0.000 0.550 174 H N 0.844 119.940 119.070 0.044 0.000 2.444 174 H HA -0.236 4.319 4.556 -0.001 0.000 0.294 174 H C 2.265 177.640 175.328 0.078 0.000 1.125 174 H CA 2.691 58.776 56.048 0.061 0.000 1.230 174 H CB -0.097 29.750 29.762 0.140 0.000 1.361 174 H HN 0.668 nan 8.280 nan 0.000 0.508 175 W N 0.245 121.618 121.300 0.122 0.000 2.321 175 W HA -0.240 4.420 4.660 -0.000 0.000 0.306 175 W C 1.807 178.339 176.519 0.022 0.000 1.217 175 W CA 0.973 58.318 57.345 -0.000 0.000 1.257 175 W CB -1.507 27.907 29.460 -0.076 0.000 1.145 175 W HN 0.357 nan 8.180 nan 0.000 0.509 176 L N 2.037 122.550 121.223 -1.184 0.000 2.353 176 L HA -0.110 4.229 4.340 -0.001 0.000 0.220 176 L C 2.322 179.020 176.870 -0.286 0.000 1.133 176 L CA 1.632 55.900 54.840 -0.953 0.000 0.798 176 L CB -0.418 40.900 42.059 -1.235 0.000 0.922 176 L HN -0.166 nan 8.230 nan 0.000 0.445 177 S N -1.239 114.274 115.700 -0.312 0.000 2.555 177 S HA -0.073 4.397 4.470 -0.001 0.000 0.230 177 S C 1.513 175.968 174.600 -0.241 0.000 0.978 177 S CA 0.270 58.293 58.200 -0.295 0.000 0.934 177 S CB -0.515 62.362 63.200 -0.539 0.000 0.766 177 S HN 0.628 nan 8.310 nan 0.000 0.533 178 H N -0.351 118.575 119.070 -0.241 0.000 2.462 178 H HA 0.069 4.625 4.556 -0.001 0.000 0.292 178 H C -0.056 175.172 175.328 -0.166 0.000 1.049 178 H CA 0.244 56.189 56.048 -0.173 0.000 1.334 178 H CB -0.140 29.535 29.762 -0.145 0.000 1.404 178 H HN 0.385 nan 8.280 nan 0.000 0.544 179 F N 3.783 123.719 119.950 -0.024 0.000 2.514 179 F HA -0.046 4.481 4.527 -0.001 0.000 0.399 179 F C -1.492 174.289 175.800 -0.032 0.000 1.011 179 F CA -1.371 56.556 58.000 -0.122 0.000 1.109 179 F CB 0.153 39.060 39.000 -0.154 0.000 0.980 179 F HN 0.154 nan 8.300 nan 0.000 0.538 180 P HA 0.142 nan 4.420 nan 0.000 0.282 180 P C -0.344 177.057 177.300 0.169 0.000 1.287 180 P CA -0.364 62.809 63.100 0.121 0.000 0.792 180 P CB 0.979 32.738 31.700 0.097 0.000 1.163 181 D N -1.767 118.696 120.400 0.104 0.000 2.323 181 D HA -0.086 4.553 4.640 -0.001 0.000 0.209 181 D C 1.722 178.072 176.300 0.084 0.000 0.973 181 D CA 1.249 55.299 54.000 0.084 0.000 0.874 181 D CB -1.354 39.470 40.800 0.040 0.000 0.930 181 D HN 0.440 nan 8.370 nan 0.000 0.521 182 T N -1.705 112.907 114.554 0.098 0.000 2.778 182 T HA -0.265 4.085 4.350 -0.001 0.000 0.269 182 T C 0.897 175.669 174.700 0.120 0.000 1.050 182 T CA 0.532 62.688 62.100 0.094 0.000 1.137 182 T CB -0.877 68.052 68.868 0.102 0.000 0.860 182 T HN 0.237 nan 8.240 nan 0.000 0.468 183 Y N 2.868 123.203 120.300 0.059 0.000 2.377 183 Y HA 0.401 4.950 4.550 -0.001 0.000 0.330 183 Y C 1.066 176.970 175.900 0.007 0.000 1.108 183 Y CA 0.247 58.388 58.100 0.069 0.000 1.308 183 Y CB 1.061 39.621 38.460 0.166 0.000 1.216 183 Y HN 0.247 nan 8.280 nan 0.000 0.518 184 T N -0.995 113.125 114.554 -0.723 0.000 3.502 184 T HA 0.051 4.401 4.350 -0.001 0.000 0.310 184 T C 0.527 174.893 174.700 -0.557 0.000 0.902 184 T CA 0.222 62.009 62.100 -0.522 0.000 0.964 184 T CB -0.973 67.754 68.868 -0.235 0.000 1.200 184 T HN 0.506 nan 8.240 nan 0.000 0.599 185 S N 0.878 116.083 115.700 -0.824 0.000 2.556 185 S HA 0.370 4.840 4.470 -0.001 0.000 0.216 185 S C 0.503 174.942 174.600 -0.269 0.000 0.970 185 S CA -0.552 57.405 58.200 -0.406 0.000 0.912 185 S CB -0.261 62.789 63.200 -0.250 0.000 0.790 185 S HN 0.471 nan 8.310 nan 0.000 0.504 186 L N 2.527 123.565 121.223 -0.309 0.000 2.540 186 L HA 0.169 4.508 4.340 -0.001 0.000 0.276 186 L C 0.811 177.639 176.870 -0.070 0.000 1.212 186 L CA 0.483 55.273 54.840 -0.082 0.000 0.893 186 L CB 0.656 42.687 42.059 -0.046 0.000 1.138 186 L HN 0.055 nan 8.230 nan 0.000 0.491 187 V N 2.462 122.358 119.914 -0.029 0.000 3.151 187 V HA 0.245 4.364 4.120 -0.001 0.000 0.241 187 V C 0.556 176.640 176.094 -0.016 0.000 1.173 187 V CA 0.868 63.148 62.300 -0.033 0.000 1.154 187 V CB 0.503 32.307 31.823 -0.032 0.000 0.898 187 V HN 0.863 nan 8.190 nan 0.000 0.473 188 S N 0.533 116.236 115.700 0.005 0.000 2.619 188 S HA 0.685 5.155 4.470 -0.001 0.000 0.280 188 S C -1.696 172.935 174.600 0.051 0.000 1.150 188 S CA -0.428 57.783 58.200 0.019 0.000 0.978 188 S CB 1.785 64.992 63.200 0.013 0.000 1.041 188 S HN 0.160 nan 8.310 nan 0.000 0.485 189 L N 4.619 125.879 121.223 0.062 0.000 2.406 189 L HA 0.669 5.008 4.340 -0.001 0.000 0.270 189 L C -1.203 175.737 176.870 0.117 0.000 0.982 189 L CA -0.209 54.695 54.840 0.106 0.000 0.843 189 L CB 1.684 43.800 42.059 0.094 0.000 1.225 189 L HN 0.810 nan 8.230 nan 0.000 0.412 190 N N 5.524 124.306 118.700 0.137 0.000 2.626 190 N HA 0.327 5.066 4.740 -0.001 0.000 0.242 190 N C -0.062 175.556 175.510 0.180 0.000 1.005 190 N CA -0.467 52.669 53.050 0.143 0.000 0.905 190 N CB 0.630 39.188 38.487 0.118 0.000 1.128 190 N HN 0.696 nan 8.380 nan 0.000 0.512 191 I N 0.583 121.276 120.570 0.205 0.000 3.856 191 I HA 0.250 4.420 4.170 -0.001 0.000 0.333 191 I C 0.856 177.084 176.117 0.185 0.000 1.525 191 I CA -0.291 61.145 61.300 0.227 0.000 1.173 191 I CB 0.025 38.211 38.000 0.310 0.000 1.175 191 I HN 0.255 nan 8.210 nan 0.000 0.424 192 S N 0.373 116.201 115.700 0.212 0.000 2.603 192 S HA -0.065 4.405 4.470 -0.001 0.000 0.220 192 S C 1.531 176.246 174.600 0.190 0.000 0.967 192 S CA 0.330 58.694 58.200 0.274 0.000 0.920 192 S CB -0.938 62.549 63.200 0.478 0.000 0.773 192 S HN 0.792 nan 8.310 nan 0.000 0.529 193 C N 0.229 119.614 119.300 0.142 0.000 2.754 193 C HA 0.567 5.027 4.460 -0.001 0.000 0.276 193 C C 0.467 175.460 174.990 0.005 0.000 1.264 193 C CA -1.175 57.890 59.018 0.078 0.000 1.700 193 C CB -1.848 25.948 27.740 0.092 0.000 1.885 193 C HN 0.484 nan 8.230 nan 0.000 0.607 194 L N 1.480 122.709 121.223 0.009 0.000 2.264 194 L HA 0.474 4.814 4.340 -0.001 0.000 0.289 194 L C 1.467 178.308 176.870 -0.048 0.000 1.044 194 L CA -0.175 54.670 54.840 0.008 0.000 0.807 194 L CB 1.524 43.651 42.059 0.114 0.000 1.192 194 L HN 0.290 nan 8.230 nan 0.000 0.425 195 A N 2.229 125.013 122.820 -0.060 0.000 2.014 195 A HA -0.032 4.288 4.320 -0.001 0.000 0.218 195 A C 1.164 178.728 177.584 -0.033 0.000 1.163 195 A CA 0.778 52.767 52.037 -0.080 0.000 0.652 195 A CB -0.220 18.736 19.000 -0.072 0.000 0.808 195 A HN 0.713 nan 8.150 nan 0.000 0.449 196 S N -0.172 115.545 115.700 0.029 0.000 2.610 196 S HA 0.399 4.869 4.470 -0.001 0.000 0.273 196 S C -0.202 174.438 174.600 0.067 0.000 1.274 196 S CA -0.622 57.611 58.200 0.056 0.000 1.023 196 S CB 1.159 64.421 63.200 0.103 0.000 0.962 196 S HN 0.427 nan 8.310 nan 0.000 0.523 197 E N 2.262 122.489 120.200 0.045 0.000 2.052 197 E HA 0.283 4.633 4.350 -0.001 0.000 0.283 197 E C -0.478 176.146 176.600 0.041 0.000 1.071 197 E CA -0.696 55.725 56.400 0.035 0.000 0.851 197 E CB 0.543 30.252 29.700 0.016 0.000 1.066 197 E HN 0.517 nan 8.360 nan 0.000 0.396 198 V N 3.690 123.616 119.914 0.020 0.000 3.209 198 V HA -0.122 3.998 4.120 -0.001 0.000 0.305 198 V C 0.731 176.806 176.094 -0.031 0.000 1.127 198 V CA 0.551 62.803 62.300 -0.080 0.000 1.235 198 V CB 1.320 33.072 31.823 -0.117 0.000 0.987 198 V HN 0.783 nan 8.190 nan 0.000 0.499 199 S N 2.562 118.214 115.700 -0.079 0.000 2.505 199 S HA 0.141 4.611 4.470 -0.001 0.000 0.276 199 S C 0.490 175.091 174.600 0.001 0.000 1.274 199 S CA -0.409 57.780 58.200 -0.018 0.000 1.053 199 S CB 0.057 63.224 63.200 -0.055 0.000 0.919 199 S HN 0.600 nan 8.310 nan 0.000 0.490 200 F N 4.886 124.803 119.950 -0.055 0.000 2.234 200 F HA 0.035 4.561 4.527 -0.001 0.000 0.296 200 F C 2.467 178.238 175.800 -0.047 0.000 1.089 200 F CA 1.681 59.651 58.000 -0.050 0.000 1.343 200 F CB -0.658 38.319 39.000 -0.039 0.000 1.040 200 F HN 0.750 nan 8.300 nan 0.000 0.498 201 S N 0.702 116.381 115.700 -0.036 0.000 2.399 201 S HA -0.143 4.327 4.470 -0.001 0.000 0.231 201 S C 2.259 176.737 174.600 -0.203 0.000 1.022 201 S CA 0.806 58.927 58.200 -0.132 0.000 0.983 201 S CB -1.187 62.011 63.200 -0.004 0.000 0.803 201 S HN 0.429 nan 8.310 nan 0.000 0.480 202 A N 2.190 124.910 122.820 -0.166 0.000 1.858 202 A HA 0.083 4.402 4.320 -0.001 0.000 0.216 202 A C 2.232 179.689 177.584 -0.212 0.000 1.190 202 A CA 1.525 53.463 52.037 -0.165 0.000 0.617 202 A CB -1.068 17.837 19.000 -0.158 0.000 0.827 202 A HN 0.510 nan 8.150 nan 0.000 0.443 203 L N 0.263 121.324 121.223 -0.271 0.000 2.013 203 L HA -0.245 4.094 4.340 -0.001 0.000 0.212 203 L C 2.423 179.074 176.870 -0.365 0.000 1.073 203 L CA 2.886 57.547 54.840 -0.299 0.000 0.753 203 L CB -0.508 41.376 42.059 -0.291 0.000 0.890 203 L HN 0.671 nan 8.230 nan 0.000 0.432 204 E N -0.998 118.875 120.200 -0.544 0.000 2.107 204 E HA -0.245 4.105 4.350 -0.001 0.000 0.191 204 E C 2.403 178.859 176.600 -0.241 0.000 0.982 204 E CA 0.773 56.898 56.400 -0.458 0.000 0.809 204 E CB -0.200 29.162 29.700 -0.564 0.000 0.756 204 E HN 0.452 nan 8.360 nan 0.000 0.459 205 R N 0.378 120.756 120.500 -0.203 0.000 2.096 205 R HA -0.083 4.256 4.340 -0.001 0.000 0.235 205 R C 2.569 178.806 176.300 -0.104 0.000 1.127 205 R CA 1.157 57.184 56.100 -0.123 0.000 0.968 205 R CB -0.260 29.983 30.300 -0.096 0.000 0.861 205 R HN 0.332 nan 8.270 nan 0.000 0.440 206 L N 0.401 121.549 121.223 -0.124 0.000 2.027 206 L HA -0.157 4.183 4.340 -0.001 0.000 0.206 206 L C 2.025 178.822 176.870 -0.122 0.000 1.074 206 L CA 1.411 56.183 54.840 -0.114 0.000 0.745 206 L CB -0.201 41.770 42.059 -0.146 0.000 0.898 206 L HN 0.087 nan 8.230 nan 0.000 0.433 207 V N -0.641 119.193 119.914 -0.133 0.000 2.626 207 V HA -0.244 3.876 4.120 -0.001 0.000 0.252 207 V C 2.508 178.545 176.094 -0.095 0.000 1.067 207 V CA 2.031 64.265 62.300 -0.111 0.000 1.081 207 V CB -0.414 31.345 31.823 -0.107 0.000 0.686 207 V HN 0.486 nan 8.190 nan 0.000 0.468 208 T N 0.362 114.858 114.554 -0.096 0.000 2.896 208 T HA -0.109 4.241 4.350 -0.001 0.000 0.263 208 T C 1.651 176.309 174.700 -0.070 0.000 1.050 208 T CA 1.204 63.258 62.100 -0.076 0.000 1.140 208 T CB -0.158 68.666 68.868 -0.072 0.000 0.877 208 T HN 0.651 nan 8.240 nan 0.000 0.457 209 R N 0.450 120.904 120.500 -0.075 0.000 2.449 209 R HA 0.236 4.576 4.340 -0.001 0.000 0.262 209 R C -0.418 175.817 176.300 -0.107 0.000 1.006 209 R CA -0.087 55.967 56.100 -0.076 0.000 1.104 209 R CB -0.780 29.484 30.300 -0.059 0.000 1.206 209 R HN 0.220 nan 8.270 nan 0.000 0.538 210 C N 2.614 121.845 119.300 -0.115 0.000 2.621 210 C HA 0.358 4.818 4.460 -0.001 0.000 0.272 210 C C -1.321 173.605 174.990 -0.107 0.000 1.119 210 C CA -1.559 57.374 59.018 -0.141 0.000 1.593 210 C CB 1.204 28.839 27.740 -0.174 0.000 1.749 210 C HN 0.331 nan 8.230 nan 0.000 0.420 211 P HA -0.149 nan 4.420 nan 0.000 0.218 211 P C 0.845 178.106 177.300 -0.064 0.000 1.146 211 P CA 1.552 64.610 63.100 -0.069 0.000 0.813 211 P CB 0.181 31.843 31.700 -0.063 0.000 0.778 212 N N -0.550 118.105 118.700 -0.075 0.000 2.336 212 N HA 0.024 4.764 4.740 -0.001 0.000 0.189 212 N C 0.659 176.134 175.510 -0.059 0.000 1.113 212 N CA -0.291 52.721 53.050 -0.064 0.000 0.858 212 N CB -0.094 38.352 38.487 -0.068 0.000 0.970 212 N HN 0.123 nan 8.380 nan 0.000 0.471 213 L N 1.941 123.124 121.223 -0.065 0.000 2.747 213 L HA -0.157 4.182 4.340 -0.001 0.000 0.286 213 L C 0.983 177.830 176.870 -0.037 0.000 1.216 213 L CA 0.915 55.724 54.840 -0.052 0.000 0.930 213 L CB 0.513 42.538 42.059 -0.057 0.000 1.216 213 L HN -0.141 nan 8.230 nan 0.000 0.486 214 K N 1.627 122.010 120.400 -0.029 0.000 2.511 214 K HA 0.260 4.580 4.320 -0.001 0.000 0.209 214 K C -0.132 176.458 176.600 -0.016 0.000 1.301 214 K CA 0.336 56.609 56.287 -0.023 0.000 0.967 214 K CB 0.652 33.138 32.500 -0.024 0.000 1.109 214 K HN 0.507 nan 8.250 nan 0.000 0.561 215 S N 1.260 116.954 115.700 -0.011 0.000 2.745 215 S HA 0.449 4.918 4.470 -0.001 0.000 0.283 215 S C -1.672 172.935 174.600 0.011 0.000 1.170 215 S CA -0.625 57.573 58.200 -0.002 0.000 1.119 215 S CB 0.171 63.370 63.200 -0.001 0.000 1.035 215 S HN 0.059 nan 8.310 nan 0.000 0.483 216 L N 5.866 127.097 121.223 0.013 0.000 2.283 216 L HA 0.569 4.908 4.340 -0.001 0.000 0.281 216 L C -0.670 176.228 176.870 0.047 0.000 1.033 216 L CA 0.067 54.924 54.840 0.029 0.000 0.848 216 L CB 0.556 42.626 42.059 0.017 0.000 1.226 216 L HN 0.549 nan 8.230 nan 0.000 0.429 217 K N 6.213 126.658 120.400 0.075 0.000 2.334 217 K HA 0.464 4.783 4.320 -0.001 0.000 0.265 217 K C -0.809 175.890 176.600 0.165 0.000 1.039 217 K CA -0.448 55.904 56.287 0.109 0.000 0.920 217 K CB 1.153 33.719 32.500 0.110 0.000 1.160 217 K HN 0.526 nan 8.250 nan 0.000 0.451 218 L N 2.593 123.928 121.223 0.187 0.000 2.439 218 L HA 0.235 4.575 4.340 -0.001 0.000 0.261 218 L C 0.731 177.733 176.870 0.221 0.000 1.153 218 L CA -0.687 54.264 54.840 0.185 0.000 0.808 218 L CB 0.626 42.781 42.059 0.160 0.000 1.126 218 L HN 0.708 nan 8.230 nan 0.000 0.460 219 N N 0.191 118.947 118.700 0.094 0.000 2.483 219 N HA 0.173 4.912 4.740 -0.001 0.000 0.269 219 N C 0.785 176.132 175.510 -0.273 0.000 1.209 219 N CA -0.861 52.129 53.050 -0.100 0.000 0.969 219 N CB 1.067 39.524 38.487 -0.051 0.000 1.173 219 N HN 0.524 nan 8.380 nan 0.000 0.475 220 R N 0.653 120.722 120.500 -0.717 0.000 2.133 220 R HA -0.238 4.102 4.340 -0.001 0.000 0.247 220 R C 1.424 177.579 176.300 -0.241 0.000 1.151 220 R CA 1.909 57.587 56.100 -0.703 0.000 0.971 220 R CB -0.564 29.200 30.300 -0.894 0.000 0.866 220 R HN 0.805 nan 8.270 nan 0.000 0.447 221 A N 0.272 122.986 122.820 -0.177 0.000 2.238 221 A HA 0.160 4.480 4.320 -0.001 0.000 0.208 221 A C 0.369 177.930 177.584 -0.037 0.000 1.177 221 A CA -0.074 51.908 52.037 -0.091 0.000 0.804 221 A CB 0.322 19.281 19.000 -0.068 0.000 0.823 221 A HN 0.098 nan 8.150 nan 0.000 0.482 222 V N 2.903 122.814 119.914 -0.005 0.000 2.405 222 V HA 0.201 4.321 4.120 -0.001 0.000 0.264 222 V C -2.282 173.802 176.094 -0.017 0.000 1.048 222 V CA -1.658 60.655 62.300 0.021 0.000 0.966 222 V CB 0.395 32.278 31.823 0.101 0.000 1.015 222 V HN 0.289 nan 8.190 nan 0.000 0.477 223 P HA 0.139 nan 4.420 nan 0.000 0.279 223 P C 0.853 178.069 177.300 -0.140 0.000 1.239 223 P CA -0.506 62.530 63.100 -0.107 0.000 0.789 223 P CB 1.418 33.034 31.700 -0.140 0.000 0.933 224 L N 3.719 124.841 121.223 -0.167 0.000 2.082 224 L HA -0.289 4.051 4.340 -0.001 0.000 0.223 224 L C 1.968 178.674 176.870 -0.274 0.000 1.086 224 L CA 2.242 56.915 54.840 -0.279 0.000 0.793 224 L CB -1.379 40.393 42.059 -0.477 0.000 0.896 224 L HN 0.381 nan 8.230 nan 0.000 0.441 225 E N -1.001 119.045 120.200 -0.257 0.000 2.265 225 E HA -0.167 4.183 4.350 -0.001 0.000 0.196 225 E C 1.813 178.294 176.600 -0.199 0.000 0.996 225 E CA 0.845 57.115 56.400 -0.216 0.000 0.832 225 E CB -0.042 29.547 29.700 -0.184 0.000 0.756 225 E HN 0.343 nan 8.360 nan 0.000 0.491 226 K N 0.075 120.331 120.400 -0.240 0.000 2.400 226 K HA 0.090 4.410 4.320 -0.001 0.000 0.194 226 K C 1.810 178.368 176.600 -0.070 0.000 1.033 226 K CA 0.057 56.169 56.287 -0.291 0.000 1.021 226 K CB 0.023 32.107 32.500 -0.694 0.000 0.808 226 K HN 0.230 nan 8.250 nan 0.000 0.505 227 L N 0.856 122.039 121.223 -0.066 0.000 1.989 227 L HA -0.218 4.122 4.340 -0.001 0.000 0.211 227 L C 2.158 179.040 176.870 0.019 0.000 1.071 227 L CA 1.634 56.472 54.840 -0.003 0.000 0.749 227 L CB -0.457 41.575 42.059 -0.044 0.000 0.890 227 L HN 0.133 nan 8.230 nan 0.000 0.431 228 A N -0.496 122.314 122.820 -0.016 0.000 1.859 228 A HA -0.305 4.014 4.320 -0.001 0.000 0.217 228 A C 2.141 179.743 177.584 0.030 0.000 1.198 228 A CA 2.779 54.814 52.037 -0.004 0.000 0.629 228 A CB -1.316 17.669 19.000 -0.026 0.000 0.830 228 A HN 0.508 nan 8.150 nan 0.000 0.446 229 T N 0.488 115.076 114.554 0.056 0.000 2.616 229 T HA -0.289 4.060 4.350 -0.001 0.000 0.261 229 T C 1.746 176.506 174.700 0.100 0.000 1.105 229 T CA 2.060 64.226 62.100 0.111 0.000 1.159 229 T CB -0.662 68.352 68.868 0.243 0.000 0.856 229 T HN 0.395 nan 8.240 nan 0.000 0.449 230 L N 0.019 121.320 121.223 0.130 0.000 2.027 230 L HA -0.025 4.315 4.340 -0.001 0.000 0.206 230 L C 2.661 179.546 176.870 0.024 0.000 1.074 230 L CA 1.165 56.042 54.840 0.062 0.000 0.745 230 L CB -0.628 41.483 42.059 0.086 0.000 0.898 230 L HN 0.284 nan 8.230 nan 0.000 0.433 231 L N -0.546 120.694 121.223 0.028 0.000 2.079 231 L HA -0.226 4.113 4.340 -0.001 0.000 0.210 231 L C 2.851 179.724 176.870 0.005 0.000 1.081 231 L CA 1.110 55.957 54.840 0.012 0.000 0.752 231 L CB -0.558 41.507 42.059 0.010 0.000 0.896 231 L HN 0.406 nan 8.230 nan 0.000 0.433 232 Q N -0.059 119.745 119.800 0.008 0.000 2.226 232 Q HA -0.142 4.198 4.340 -0.001 0.000 0.204 232 Q C 2.003 177.999 176.000 -0.005 0.000 0.975 232 Q CA 1.064 56.869 55.803 0.003 0.000 0.866 232 Q CB -0.177 28.566 28.738 0.008 0.000 0.915 232 Q HN 0.455 nan 8.270 nan 0.000 0.440 233 R N -0.486 120.008 120.500 -0.010 0.000 2.310 233 R HA 0.231 4.571 4.340 -0.001 0.000 0.202 233 R C 0.347 176.630 176.300 -0.029 0.000 0.933 233 R CA 0.355 56.441 56.100 -0.025 0.000 1.054 233 R CB 0.538 30.813 30.300 -0.041 0.000 0.985 233 R HN 0.041 nan 8.270 nan 0.000 0.489 234 A N 1.386 124.193 122.820 -0.021 0.000 3.448 234 A HA 0.308 4.628 4.320 -0.001 0.000 0.232 234 A C -2.076 175.499 177.584 -0.016 0.000 1.018 234 A CA -0.733 51.290 52.037 -0.024 0.000 0.996 234 A CB 0.801 19.785 19.000 -0.028 0.000 1.283 234 A HN -0.127 nan 8.150 nan 0.000 0.586 235 P HA -0.164 nan 4.420 nan 0.000 0.230 235 P C 0.998 178.292 177.300 -0.010 0.000 1.158 235 P CA 0.953 64.048 63.100 -0.009 0.000 0.769 235 P CB 0.182 31.878 31.700 -0.008 0.000 0.807 236 Q N -0.611 119.180 119.800 -0.015 0.000 2.322 236 Q HA 0.064 4.403 4.340 -0.001 0.000 0.203 236 Q C 0.193 176.184 176.000 -0.015 0.000 0.923 236 Q CA -0.202 55.592 55.803 -0.016 0.000 0.949 236 Q CB -0.628 28.097 28.738 -0.021 0.000 1.039 236 Q HN 0.157 nan 8.270 nan 0.000 0.496 237 L N 1.820 123.035 121.223 -0.012 0.000 2.426 237 L HA 0.058 4.398 4.340 -0.001 0.000 0.271 237 L C 1.184 178.048 176.870 -0.010 0.000 1.169 237 L CA 0.824 55.657 54.840 -0.012 0.000 0.836 237 L CB 0.837 42.890 42.059 -0.009 0.000 1.112 237 L HN 0.186 nan 8.230 nan 0.000 0.465 238 E N 1.303 121.496 120.200 -0.013 0.000 2.413 238 E HA 0.157 4.507 4.350 -0.001 0.000 0.203 238 E C -0.465 176.126 176.600 -0.015 0.000 0.957 238 E CA 0.207 56.599 56.400 -0.013 0.000 0.950 238 E CB 0.666 30.356 29.700 -0.016 0.000 0.957 238 E HN 0.577 nan 8.360 nan 0.000 0.497 239 E N 1.245 121.436 120.200 -0.016 0.000 2.281 239 E HA 0.290 4.639 4.350 -0.001 0.000 0.266 239 E C -1.671 174.919 176.600 -0.017 0.000 0.893 239 E CA -0.528 55.859 56.400 -0.022 0.000 0.798 239 E CB 2.312 31.998 29.700 -0.024 0.000 1.245 239 E HN -0.097 nan 8.360 nan 0.000 0.410 240 L N 1.567 122.777 121.223 -0.022 0.000 2.341 240 L HA 0.697 5.036 4.340 -0.001 0.000 0.278 240 L C -0.394 176.445 176.870 -0.052 0.000 1.005 240 L CA -0.188 54.637 54.840 -0.025 0.000 0.818 240 L CB 1.721 43.764 42.059 -0.027 0.000 1.259 240 L HN 0.516 nan 8.230 nan 0.000 0.418 241 G N 2.814 111.600 108.800 -0.024 0.000 2.468 241 G HA2 0.458 4.417 3.960 -0.001 0.000 0.320 241 G HA3 0.458 4.417 3.960 -0.001 0.000 0.320 241 G C 0.018 174.918 174.900 -0.000 0.000 1.137 241 G CA 0.078 45.161 45.100 -0.029 0.000 0.984 241 G HN 0.877 nan 8.290 nan 0.000 0.462 242 T N 0.813 115.288 114.554 -0.131 0.000 2.791 242 T HA 0.448 4.798 4.350 -0.001 0.000 0.323 242 T C 1.310 176.149 174.700 0.232 0.000 1.082 242 T CA 0.261 62.353 62.100 -0.014 0.000 1.084 242 T CB 1.424 70.220 68.868 -0.121 0.000 0.992 242 T HN 0.531 nan 8.240 nan 0.000 0.547 243 G N 0.312 109.256 108.800 0.240 0.000 2.928 243 G HA2 0.571 4.531 3.960 -0.001 0.000 0.163 243 G HA3 0.571 4.531 3.960 -0.001 0.000 0.163 243 G C 0.571 175.707 174.900 0.394 0.000 1.573 243 G CA -0.583 44.697 45.100 0.299 0.000 1.084 243 G HN 1.073 nan 8.290 nan 0.000 0.569 244 G N -2.007 106.931 108.800 0.231 0.000 2.544 244 G HA2 0.323 4.282 3.960 -0.001 0.000 0.242 244 G HA3 0.323 4.282 3.960 -0.001 0.000 0.242 244 G C -0.947 174.099 174.900 0.243 0.000 1.247 244 G CA -0.177 45.080 45.100 0.261 0.000 0.840 244 G HN 0.360 nan 8.290 nan 0.000 0.578 245 Y N 0.598 120.987 120.300 0.149 0.000 2.685 245 Y HA 0.454 5.004 4.550 -0.001 0.000 0.339 245 Y C 0.774 176.713 175.900 0.065 0.000 0.961 245 Y CA -0.354 57.802 58.100 0.093 0.000 1.330 245 Y CB 0.698 39.278 38.460 0.200 0.000 1.269 245 Y HN 0.632 nan 8.280 nan 0.000 0.566 246 T N 0.364 114.878 114.554 -0.067 0.000 2.903 246 T HA 0.912 5.261 4.350 -0.001 0.000 0.299 246 T C -1.508 173.099 174.700 -0.155 0.000 1.093 246 T CA -0.092 61.981 62.100 -0.044 0.000 1.002 246 T CB 1.392 70.301 68.868 0.068 0.000 1.127 246 T HN 0.376 nan 8.240 nan 0.000 0.488 247 A N 2.202 124.967 122.820 -0.091 0.000 2.581 247 A HA 0.581 4.901 4.320 -0.001 0.000 0.294 247 A C -0.712 176.929 177.584 0.097 0.000 1.035 247 A CA -0.762 51.217 52.037 -0.096 0.000 0.684 247 A CB 0.898 19.684 19.000 -0.355 0.000 1.282 247 A HN 0.960 nan 8.150 nan 0.000 0.417 248 E N 0.808 121.055 120.200 0.078 0.000 2.502 248 E HA 0.242 4.592 4.350 -0.001 0.000 0.261 248 E C -0.354 176.385 176.600 0.232 0.000 0.974 248 E CA -0.094 56.375 56.400 0.114 0.000 0.936 248 E CB 0.485 30.223 29.700 0.063 0.000 0.926 248 E HN 0.477 nan 8.360 nan 0.000 0.459 249 V N 6.663 126.691 119.914 0.189 0.000 2.400 249 V HA 0.033 4.153 4.120 -0.001 0.000 0.263 249 V C 0.193 176.326 176.094 0.064 0.000 1.026 249 V CA 0.695 63.057 62.300 0.103 0.000 1.077 249 V CB -0.716 31.089 31.823 -0.030 0.000 1.054 249 V HN 0.570 nan 8.190 nan 0.000 0.477 250 R N 4.977 125.560 120.500 0.138 0.000 2.744 250 R HA 0.486 4.826 4.340 -0.001 0.000 0.279 250 R C -2.242 174.113 176.300 0.092 0.000 0.977 250 R CA -1.834 54.316 56.100 0.084 0.000 0.906 250 R CB 1.292 31.646 30.300 0.090 0.000 1.197 250 R HN 0.206 nan 8.270 nan 0.000 0.463 251 P HA -0.175 nan 4.420 nan 0.000 0.215 251 P C 0.590 177.961 177.300 0.119 0.000 1.157 251 P CA 1.238 64.379 63.100 0.067 0.000 0.859 251 P CB 0.113 31.826 31.700 0.021 0.000 0.786 252 D N -0.044 120.406 120.400 0.083 0.000 2.190 252 D HA -0.138 4.502 4.640 -0.001 0.000 0.200 252 D C 1.670 178.026 176.300 0.093 0.000 0.992 252 D CA 1.237 55.283 54.000 0.076 0.000 0.854 252 D CB -1.294 39.533 40.800 0.046 0.000 0.936 252 D HN 0.054 nan 8.370 nan 0.000 0.462 253 V N -0.347 119.647 119.914 0.133 0.000 2.453 253 V HA -0.204 3.916 4.120 -0.001 0.000 0.247 253 V C 2.343 178.567 176.094 0.218 0.000 1.048 253 V CA 1.464 63.850 62.300 0.144 0.000 1.049 253 V CB -0.976 30.956 31.823 0.182 0.000 0.672 253 V HN 0.172 nan 8.190 nan 0.000 0.457 254 Y N 0.754 121.185 120.300 0.218 0.000 2.200 254 Y HA -0.210 4.339 4.550 -0.001 0.000 0.290 254 Y C 2.885 178.837 175.900 0.088 0.000 1.137 254 Y CA 1.870 60.087 58.100 0.194 0.000 1.163 254 Y CB -0.216 38.236 38.460 -0.014 0.000 0.988 254 Y HN 0.219 nan 8.280 nan 0.000 0.518 255 S N -0.341 115.452 115.700 0.154 0.000 2.338 255 S HA -0.111 4.358 4.470 -0.001 0.000 0.218 255 S C 2.362 176.951 174.600 -0.019 0.000 1.032 255 S CA 1.469 59.729 58.200 0.099 0.000 0.999 255 S CB -1.280 61.988 63.200 0.113 0.000 0.905 255 S HN 0.680 nan 8.310 nan 0.000 0.439 256 G N 1.891 110.687 108.800 -0.005 0.000 2.503 256 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.221 256 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.221 256 G C 1.501 176.363 174.900 -0.064 0.000 1.131 256 G CA 1.063 46.149 45.100 -0.024 0.000 0.756 256 G HN 0.514 nan 8.290 nan 0.000 0.572 257 L N 0.187 121.342 121.223 -0.113 0.000 2.056 257 L HA -0.038 4.301 4.340 -0.001 0.000 0.207 257 L C 3.007 179.784 176.870 -0.155 0.000 1.078 257 L CA 1.584 56.340 54.840 -0.139 0.000 0.749 257 L CB -0.279 41.664 42.059 -0.193 0.000 0.901 257 L HN 0.369 nan 8.230 nan 0.000 0.433 258 S N -0.955 114.601 115.700 -0.241 0.000 2.355 258 S HA -0.150 4.320 4.470 -0.001 0.000 0.222 258 S C 1.864 176.420 174.600 -0.074 0.000 1.031 258 S CA 1.263 59.341 58.200 -0.203 0.000 0.993 258 S CB -0.102 62.977 63.200 -0.201 0.000 0.859 258 S HN 0.293 nan 8.310 nan 0.000 0.453 259 V N 1.686 121.570 119.914 -0.050 0.000 2.568 259 V HA -0.123 3.997 4.120 -0.001 0.000 0.253 259 V C 2.508 178.595 176.094 -0.012 0.000 1.072 259 V CA 1.746 64.038 62.300 -0.015 0.000 1.084 259 V CB -0.921 30.899 31.823 -0.005 0.000 0.676 259 V HN 0.593 nan 8.190 nan 0.000 0.469 260 A N -1.324 121.482 122.820 -0.023 0.000 1.997 260 A HA 0.150 4.469 4.320 -0.001 0.000 0.212 260 A C 2.071 179.652 177.584 -0.005 0.000 1.178 260 A CA 0.600 52.630 52.037 -0.012 0.000 0.698 260 A CB -0.155 18.836 19.000 -0.016 0.000 0.842 260 A HN 0.457 nan 8.150 nan 0.000 0.458 261 L N 0.024 121.243 121.223 -0.008 0.000 2.209 261 L HA -0.067 4.272 4.340 -0.001 0.000 0.207 261 L C 2.841 179.721 176.870 0.017 0.000 1.094 261 L CA 1.384 56.230 54.840 0.011 0.000 0.790 261 L CB -0.019 42.053 42.059 0.021 0.000 0.932 261 L HN 0.566 nan 8.230 nan 0.000 0.447 262 S N -0.729 114.978 115.700 0.013 0.000 2.470 262 S HA -0.043 4.427 4.470 -0.001 0.000 0.225 262 S C 2.019 176.629 174.600 0.017 0.000 1.006 262 S CA 0.610 58.823 58.200 0.022 0.000 0.934 262 S CB -0.369 62.846 63.200 0.024 0.000 0.778 262 S HN 0.372 nan 8.310 nan 0.000 0.517 263 G N 0.579 109.385 108.800 0.010 0.000 2.537 263 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.220 263 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.220 263 G C 0.505 175.410 174.900 0.007 0.000 1.111 263 G CA 0.741 45.846 45.100 0.007 0.000 0.748 263 G HN 0.614 nan 8.290 nan 0.000 0.564 264 C N 1.193 120.499 119.300 0.010 0.000 2.183 264 C HA 0.377 4.837 4.460 -0.001 0.000 0.409 264 C C 1.537 176.534 174.990 0.011 0.000 1.022 264 C CA -0.923 58.100 59.018 0.009 0.000 1.367 264 C CB -0.283 27.463 27.740 0.010 0.000 1.650 264 C HN 0.402 nan 8.230 nan 0.000 0.499 265 K N 0.810 121.214 120.400 0.007 0.000 2.365 265 K HA -0.054 4.266 4.320 -0.001 0.000 0.199 265 K C 1.455 178.058 176.600 0.005 0.000 1.045 265 K CA 0.978 57.270 56.287 0.008 0.000 0.962 265 K CB 0.166 32.670 32.500 0.006 0.000 0.759 265 K HN 0.574 nan 8.250 nan 0.000 0.469 266 E N 0.453 120.654 120.200 0.002 0.000 2.465 266 E HA 0.067 4.417 4.350 -0.001 0.000 0.195 266 E C -0.206 176.394 176.600 -0.000 0.000 1.028 266 E CA -0.033 56.367 56.400 -0.001 0.000 0.899 266 E CB 0.078 29.775 29.700 -0.006 0.000 1.032 266 E HN 0.260 nan 8.360 nan 0.000 0.468 267 L N 1.697 122.923 121.223 0.005 0.000 2.462 267 L HA 0.064 4.404 4.340 -0.001 0.000 0.272 267 L C 1.528 178.401 176.870 0.005 0.000 1.166 267 L CA 0.122 54.966 54.840 0.006 0.000 0.880 267 L CB 0.597 42.665 42.059 0.016 0.000 1.142 267 L HN -0.191 nan 8.230 nan 0.000 0.473 268 R N 1.253 121.752 120.500 -0.002 0.000 2.419 268 R HA 0.275 4.615 4.340 -0.001 0.000 0.235 268 R C -0.811 175.483 176.300 -0.010 0.000 0.899 268 R CA 0.145 56.242 56.100 -0.005 0.000 1.048 268 R CB 0.340 30.632 30.300 -0.012 0.000 1.182 268 R HN 0.504 nan 8.270 nan 0.000 0.544 269 C N 1.752 121.044 119.300 -0.013 0.000 2.522 269 C HA 0.514 4.974 4.460 -0.001 0.000 0.344 269 C C -0.244 174.738 174.990 -0.012 0.000 1.104 269 C CA -0.959 58.042 59.018 -0.028 0.000 1.317 269 C CB 1.068 28.779 27.740 -0.050 0.000 1.896 269 C HN 0.186 nan 8.230 nan 0.000 0.443 270 L N 3.554 124.790 121.223 0.022 0.000 2.322 270 L HA 0.810 5.150 4.340 -0.001 0.000 0.279 270 L C 0.425 177.343 176.870 0.079 0.000 1.036 270 L CA 0.394 55.270 54.840 0.060 0.000 0.807 270 L CB 1.968 44.158 42.059 0.219 0.000 1.226 270 L HN 0.903 nan 8.230 nan 0.000 0.433 271 S N 0.713 116.392 115.700 -0.035 0.000 2.752 271 S HA 0.943 5.413 4.470 -0.001 0.000 0.284 271 S C -0.197 174.227 174.600 -0.294 0.000 1.189 271 S CA -0.059 58.111 58.200 -0.049 0.000 0.835 271 S CB 1.929 65.053 63.200 -0.126 0.000 1.192 271 S HN 1.133 nan 8.310 nan 0.000 0.506 272 G N 0.644 109.249 108.800 -0.326 0.000 2.709 272 G HA2 0.100 4.060 3.960 -0.001 0.000 0.228 272 G HA3 0.100 4.060 3.960 -0.001 0.000 0.228 272 G C 0.223 174.853 174.900 -0.450 0.000 1.215 272 G CA 0.232 44.978 45.100 -0.590 0.000 1.003 272 G HN 1.819 nan 8.290 nan 0.000 0.584 273 F N -0.630 119.199 119.950 -0.202 0.000 2.914 273 F HA -0.149 4.378 4.527 -0.001 0.000 0.304 273 F C 1.090 176.914 175.800 0.040 0.000 0.712 273 F CA 0.751 58.662 58.000 -0.147 0.000 1.211 273 F CB -1.770 37.052 39.000 -0.296 0.000 1.515 273 F HN 0.617 nan 8.300 nan 0.000 0.350 274 W N 3.111 124.605 121.300 0.323 0.000 2.568 274 W HA -0.042 4.617 4.660 -0.001 0.000 0.343 274 W C 0.988 177.644 176.519 0.229 0.000 1.097 274 W CA 1.326 58.808 57.345 0.228 0.000 1.171 274 W CB -0.213 29.315 29.460 0.114 0.000 1.142 274 W HN 0.295 nan 8.180 nan 0.000 0.569 275 D N -0.517 120.106 120.400 0.372 0.000 2.907 275 D HA -0.152 4.488 4.640 -0.001 0.000 0.226 275 D C 0.468 176.946 176.300 0.297 0.000 1.141 275 D CA 1.275 55.441 54.000 0.277 0.000 0.779 275 D CB -1.461 39.482 40.800 0.238 0.000 1.095 275 D HN 0.426 nan 8.370 nan 0.000 0.430 276 A N 0.369 123.390 122.820 0.335 0.000 2.540 276 A HA 0.369 4.689 4.320 -0.001 0.000 0.239 276 A C 0.919 178.706 177.584 0.338 0.000 1.061 276 A CA 0.262 52.556 52.037 0.429 0.000 0.758 276 A CB 0.636 19.816 19.000 0.300 0.000 0.991 276 A HN 0.681 nan 8.150 nan 0.000 0.502 277 V N 1.612 121.772 119.914 0.410 0.000 2.398 277 V HA 0.484 4.604 4.120 -0.001 0.000 0.286 277 V C -1.761 174.505 176.094 0.287 0.000 1.026 277 V CA -1.862 60.615 62.300 0.295 0.000 0.868 277 V CB 1.166 33.146 31.823 0.262 0.000 0.982 277 V HN 0.666 nan 8.190 nan 0.000 0.443 278 P HA -0.263 nan 4.420 nan 0.000 0.219 278 P C 1.460 178.842 177.300 0.136 0.000 1.153 278 P CA 2.771 65.956 63.100 0.141 0.000 0.865 278 P CB 0.082 31.837 31.700 0.091 0.000 0.788 279 A N -2.897 119.983 122.820 0.099 0.000 2.119 279 A HA -0.089 4.231 4.320 -0.001 0.000 0.216 279 A C 1.693 179.220 177.584 -0.095 0.000 1.152 279 A CA 0.853 52.860 52.037 -0.051 0.000 0.708 279 A CB -1.268 17.637 19.000 -0.157 0.000 0.805 279 A HN 0.216 nan 8.150 nan 0.000 0.460 280 Y N -1.068 119.351 120.300 0.199 0.000 2.462 280 Y HA 0.242 4.792 4.550 -0.001 0.000 0.261 280 Y C 1.690 177.835 175.900 0.409 0.000 1.146 280 Y CA -0.023 58.243 58.100 0.277 0.000 1.283 280 Y CB 0.157 38.657 38.460 0.066 0.000 1.090 280 Y HN 0.185 nan 8.280 nan 0.000 0.526 281 L N 0.344 121.844 121.223 0.462 0.000 2.217 281 L HA -0.082 4.258 4.340 -0.001 0.000 0.211 281 L C -0.847 176.046 176.870 0.039 0.000 1.107 281 L CA 0.706 55.747 54.840 0.336 0.000 0.783 281 L CB -1.188 40.989 42.059 0.197 0.000 0.919 281 L HN 0.086 nan 8.230 nan 0.000 0.442 282 P HA -0.109 nan 4.420 nan 0.000 0.226 282 P C 1.361 178.315 177.300 -0.577 0.000 1.153 282 P CA 1.147 63.497 63.100 -1.251 0.000 0.777 282 P CB 0.015 31.268 31.700 -0.744 0.000 0.794 283 A N -0.435 122.343 122.820 -0.070 0.000 2.019 283 A HA -0.125 4.194 4.320 -0.001 0.000 0.219 283 A C 2.089 179.670 177.584 -0.006 0.000 1.164 283 A CA 1.342 53.289 52.037 -0.151 0.000 0.644 283 A CB -1.561 17.271 19.000 -0.280 0.000 0.805 283 A HN 0.113 nan 8.150 nan 0.000 0.449 284 V N -0.342 119.627 119.914 0.092 0.000 3.510 284 V HA -0.107 4.012 4.120 -0.001 0.000 0.270 284 V C 1.859 178.121 176.094 0.279 0.000 1.201 284 V CA 0.679 63.101 62.300 0.203 0.000 1.166 284 V CB -1.161 30.840 31.823 0.296 0.000 0.825 284 V HN 0.631 nan 8.190 nan 0.000 0.484 285 Y N 0.916 121.276 120.300 0.099 0.000 2.130 285 Y HA -0.177 4.373 4.550 -0.001 0.000 0.287 285 Y C 2.925 178.856 175.900 0.052 0.000 1.124 285 Y CA 1.036 59.177 58.100 0.069 0.000 1.118 285 Y CB -1.696 36.805 38.460 0.069 0.000 0.994 285 Y HN 0.461 nan 8.280 nan 0.000 0.497 286 S N -0.226 115.597 115.700 0.205 0.000 2.400 286 S HA -0.189 4.281 4.470 -0.001 0.000 0.234 286 S C 1.951 176.608 174.600 0.095 0.000 1.049 286 S CA 1.755 60.028 58.200 0.122 0.000 1.039 286 S CB -1.205 62.046 63.200 0.086 0.000 0.856 286 S HN 0.189 nan 8.310 nan 0.000 0.465 287 V N -0.149 119.827 119.914 0.102 0.000 3.573 287 V HA 0.070 4.190 4.120 -0.001 0.000 0.270 287 V C 1.993 178.129 176.094 0.069 0.000 1.221 287 V CA 0.904 63.250 62.300 0.076 0.000 1.163 287 V CB -0.545 31.322 31.823 0.073 0.000 0.847 287 V HN 0.750 nan 8.190 nan 0.000 0.468 288 C N -0.351 118.998 119.300 0.082 0.000 2.791 288 C HA 0.103 4.563 4.460 -0.001 0.000 0.270 288 C C 2.587 177.588 174.990 0.019 0.000 1.257 288 C CA 0.561 59.614 59.018 0.058 0.000 1.699 288 C CB -0.912 26.871 27.740 0.072 0.000 1.904 288 C HN 0.622 nan 8.230 nan 0.000 0.603 289 S N 1.070 116.784 115.700 0.023 0.000 2.489 289 S HA -0.034 4.436 4.470 -0.001 0.000 0.228 289 S C 1.653 176.256 174.600 0.007 0.000 0.995 289 S CA 0.609 58.813 58.200 0.008 0.000 0.934 289 S CB -0.150 63.058 63.200 0.013 0.000 0.771 289 S HN 0.741 nan 8.310 nan 0.000 0.522 290 R N 0.231 120.739 120.500 0.013 0.000 2.373 290 R HA 0.358 4.698 4.340 -0.001 0.000 0.221 290 R C -0.128 176.176 176.300 0.007 0.000 0.893 290 R CA -0.172 55.934 56.100 0.009 0.000 1.049 290 R CB -0.084 30.223 30.300 0.012 0.000 1.119 290 R HN 0.245 nan 8.270 nan 0.000 0.535 291 L N 2.881 124.110 121.223 0.010 0.000 2.513 291 L HA 0.016 4.356 4.340 -0.001 0.000 0.272 291 L C 1.441 178.310 176.870 -0.002 0.000 1.187 291 L CA 0.275 55.119 54.840 0.008 0.000 0.895 291 L CB 1.121 43.189 42.059 0.016 0.000 1.147 291 L HN 0.268 nan 8.230 nan 0.000 0.483 292 T N -2.388 112.161 114.554 -0.007 0.000 3.040 292 T HA 0.056 4.405 4.350 -0.001 0.000 0.252 292 T C 0.790 175.479 174.700 -0.018 0.000 1.064 292 T CA 0.062 62.155 62.100 -0.011 0.000 1.110 292 T CB 0.258 69.119 68.868 -0.011 0.000 0.921 292 T HN 0.474 nan 8.240 nan 0.000 0.480 293 T N 2.237 116.771 114.554 -0.033 0.000 2.824 293 T HA 0.711 5.060 4.350 -0.001 0.000 0.282 293 T C -1.637 173.030 174.700 -0.054 0.000 0.993 293 T CA -0.589 61.474 62.100 -0.061 0.000 0.967 293 T CB 1.836 70.637 68.868 -0.111 0.000 0.960 293 T HN 0.288 nan 8.240 nan 0.000 0.441 294 L N 3.937 125.127 121.223 -0.054 0.000 2.436 294 L HA 0.712 5.052 4.340 -0.001 0.000 0.268 294 L C -1.285 175.560 176.870 -0.040 0.000 0.974 294 L CA -0.509 54.314 54.840 -0.028 0.000 0.826 294 L CB 1.986 44.035 42.059 -0.017 0.000 1.291 294 L HN 0.469 nan 8.230 nan 0.000 0.406 295 N N 4.991 123.673 118.700 -0.030 0.000 2.569 295 N HA 0.387 5.127 4.740 -0.001 0.000 0.254 295 N C -0.756 174.730 175.510 -0.039 0.000 1.004 295 N CA -0.298 52.728 53.050 -0.040 0.000 0.904 295 N CB 0.926 39.305 38.487 -0.180 0.000 1.165 295 N HN 0.772 nan 8.380 nan 0.000 0.513 296 L N 1.880 123.071 121.223 -0.053 0.000 2.910 296 L HA 0.248 4.588 4.340 -0.001 0.000 0.252 296 L C 1.653 178.444 176.870 -0.132 0.000 1.195 296 L CA -0.089 54.654 54.840 -0.163 0.000 1.003 296 L CB 0.135 42.037 42.059 -0.262 0.000 1.328 296 L HN 0.344 nan 8.230 nan 0.000 0.540 297 S N 0.117 115.708 115.700 -0.181 0.000 2.432 297 S HA -0.256 4.214 4.470 -0.001 0.000 0.243 297 S C 1.290 175.753 174.600 -0.227 0.000 1.069 297 S CA 2.047 60.048 58.200 -0.332 0.000 1.047 297 S CB -0.361 62.419 63.200 -0.701 0.000 0.854 297 S HN 0.596 nan 8.310 nan 0.000 0.474 298 Y N -0.076 120.160 120.300 -0.107 0.000 2.557 298 Y HA 0.544 5.094 4.550 -0.001 0.000 0.247 298 Y C 0.828 176.715 175.900 -0.022 0.000 1.164 298 Y CA -0.555 57.481 58.100 -0.107 0.000 1.218 298 Y CB 0.291 38.536 38.460 -0.357 0.000 1.210 298 Y HN 0.165 nan 8.280 nan 0.000 0.529 299 A N 1.022 123.896 122.820 0.089 0.000 2.354 299 A HA 0.360 4.680 4.320 -0.001 0.000 0.269 299 A C 1.029 178.693 177.584 0.133 0.000 1.109 299 A CA 0.227 52.317 52.037 0.087 0.000 0.800 299 A CB 0.144 19.106 19.000 -0.064 0.000 1.045 299 A HN 0.350 nan 8.150 nan 0.000 0.489 300 T N -0.250 114.380 114.554 0.126 0.000 3.182 300 T HA 0.333 4.683 4.350 -0.001 0.000 0.277 300 T C 0.496 175.119 174.700 -0.128 0.000 1.013 300 T CA 0.360 62.526 62.100 0.111 0.000 0.900 300 T CB -1.461 67.514 68.868 0.178 0.000 1.098 300 T HN 1.511 nan 8.240 nan 0.000 0.543 301 V N -0.058 119.826 119.914 -0.050 0.000 3.098 301 V HA 0.157 4.276 4.120 -0.001 0.000 0.298 301 V C 0.167 176.177 176.094 -0.140 0.000 1.200 301 V CA -0.342 61.910 62.300 -0.081 0.000 1.321 301 V CB 0.125 31.938 31.823 -0.018 0.000 0.947 301 V HN 0.363 nan 8.190 nan 0.000 0.513 302 Q N 2.327 122.063 119.800 -0.107 0.000 2.260 302 Q HA 0.279 4.618 4.340 -0.001 0.000 0.242 302 Q C 1.529 177.551 176.000 0.036 0.000 0.932 302 Q CA 0.585 56.345 55.803 -0.072 0.000 0.891 302 Q CB 1.473 30.178 28.738 -0.055 0.000 1.222 302 Q HN 1.087 nan 8.270 nan 0.000 0.453 303 S N 1.690 117.435 115.700 0.074 0.000 2.407 303 S HA -0.304 4.166 4.470 -0.001 0.000 0.244 303 S C 1.648 176.310 174.600 0.104 0.000 1.077 303 S CA 2.229 60.486 58.200 0.094 0.000 1.159 303 S CB -0.372 62.892 63.200 0.107 0.000 1.045 303 S HN 0.672 nan 8.310 nan 0.000 0.438 304 Y N 2.038 122.341 120.300 0.005 0.000 2.274 304 Y HA -0.096 4.454 4.550 -0.001 0.000 0.290 304 Y C 2.122 178.028 175.900 0.011 0.000 1.145 304 Y CA 1.977 60.080 58.100 0.006 0.000 1.203 304 Y CB -0.456 38.008 38.460 0.005 0.000 0.984 304 Y HN 0.353 nan 8.280 nan 0.000 0.533 305 D N -0.037 120.392 120.400 0.050 0.000 2.144 305 D HA -0.158 4.482 4.640 -0.001 0.000 0.200 305 D C 2.254 178.515 176.300 -0.065 0.000 0.978 305 D CA 1.430 55.422 54.000 -0.012 0.000 0.833 305 D CB -0.221 40.607 40.800 0.047 0.000 0.961 305 D HN 0.398 nan 8.370 nan 0.000 0.470 306 L N 0.572 121.763 121.223 -0.053 0.000 2.017 306 L HA -0.158 4.182 4.340 -0.001 0.000 0.208 306 L C 2.696 179.500 176.870 -0.111 0.000 1.073 306 L CA 0.666 55.463 54.840 -0.072 0.000 0.745 306 L CB -0.602 41.435 42.059 -0.035 0.000 0.894 306 L HN -0.099 nan 8.230 nan 0.000 0.432 307 V N 0.099 119.933 119.914 -0.132 0.000 2.282 307 V HA -0.352 3.768 4.120 -0.001 0.000 0.249 307 V C 2.526 178.470 176.094 -0.249 0.000 1.057 307 V CA 1.923 64.119 62.300 -0.173 0.000 1.032 307 V CB -0.503 31.220 31.823 -0.167 0.000 0.645 307 V HN 0.425 nan 8.190 nan 0.000 0.447 308 K N -0.807 119.388 120.400 -0.342 0.000 2.280 308 K HA -0.126 4.193 4.320 -0.001 0.000 0.202 308 K C 2.017 178.404 176.600 -0.356 0.000 1.047 308 K CA 1.081 57.168 56.287 -0.333 0.000 0.942 308 K CB -0.130 32.207 32.500 -0.271 0.000 0.739 308 K HN 0.409 nan 8.250 nan 0.000 0.457 309 L N 0.641 121.719 121.223 -0.241 0.000 2.084 309 L HA -0.077 4.262 4.340 -0.001 0.000 0.202 309 L C 2.085 178.819 176.870 -0.227 0.000 1.074 309 L CA 0.808 55.512 54.840 -0.226 0.000 0.757 309 L CB -0.113 41.900 42.059 -0.077 0.000 0.918 309 L HN 0.174 nan 8.230 nan 0.000 0.444 310 L N -0.634 120.491 121.223 -0.163 0.000 2.042 310 L HA -0.313 4.027 4.340 -0.001 0.000 0.210 310 L C 2.685 179.477 176.870 -0.131 0.000 1.076 310 L CA 1.249 56.017 54.840 -0.120 0.000 0.749 310 L CB -0.800 41.207 42.059 -0.086 0.000 0.893 310 L HN 0.432 nan 8.230 nan 0.000 0.432 311 C N -0.593 118.609 119.300 -0.162 0.000 2.393 311 C HA -0.225 4.234 4.460 -0.001 0.000 0.292 311 C C 2.260 177.161 174.990 -0.150 0.000 1.347 311 C CA 0.971 59.901 59.018 -0.147 0.000 1.810 311 C CB -1.126 26.512 27.740 -0.171 0.000 1.899 311 C HN 0.514 nan 8.230 nan 0.000 0.532 312 Q N -1.888 117.801 119.800 -0.185 0.000 2.157 312 Q HA 0.221 4.561 4.340 -0.001 0.000 0.229 312 Q C -0.417 175.524 176.000 -0.098 0.000 0.827 312 Q CA -0.075 55.627 55.803 -0.169 0.000 1.055 312 Q CB 0.462 29.025 28.738 -0.291 0.000 1.157 312 Q HN 0.585 nan 8.270 nan 0.000 0.482 313 C N 0.701 119.955 119.300 -0.078 0.000 3.414 313 C HA 0.314 4.774 4.460 -0.001 0.000 0.208 313 C C -1.742 173.228 174.990 -0.034 0.000 1.422 313 C CA -1.125 57.866 59.018 -0.045 0.000 1.437 313 C CB 0.222 27.937 27.740 -0.042 0.000 1.850 313 C HN 0.364 nan 8.230 nan 0.000 0.481 314 P HA -0.074 nan 4.420 nan 0.000 0.221 314 P C 1.261 178.552 177.300 -0.014 0.000 1.150 314 P CA 1.240 64.326 63.100 -0.022 0.000 0.800 314 P CB 0.112 31.801 31.700 -0.020 0.000 0.787 315 K N -0.847 119.546 120.400 -0.011 0.000 2.437 315 K HA 0.129 4.449 4.320 -0.001 0.000 0.198 315 K C 0.340 176.937 176.600 -0.004 0.000 1.024 315 K CA -0.401 55.883 56.287 -0.006 0.000 1.148 315 K CB -0.187 32.311 32.500 -0.004 0.000 0.860 315 K HN 0.139 nan 8.250 nan 0.000 0.515 316 L N 2.257 123.477 121.223 -0.004 0.000 2.462 316 L HA -0.037 4.303 4.340 -0.001 0.000 0.272 316 L C 1.040 177.914 176.870 0.008 0.000 1.166 316 L CA 0.820 55.659 54.840 -0.000 0.000 0.880 316 L CB 0.640 42.698 42.059 -0.002 0.000 1.142 316 L HN 0.136 nan 8.230 nan 0.000 0.473 317 Q N 4.282 124.088 119.800 0.010 0.000 2.352 317 Q HA 0.202 4.542 4.340 -0.001 0.000 0.212 317 Q C 0.138 176.162 176.000 0.039 0.000 0.888 317 Q CA 0.174 55.989 55.803 0.020 0.000 0.934 317 Q CB 0.728 29.474 28.738 0.014 0.000 1.093 317 Q HN 0.550 nan 8.270 nan 0.000 0.523 318 R N 0.979 121.503 120.500 0.041 0.000 2.512 318 R HA 0.373 4.713 4.340 -0.001 0.000 0.291 318 R C -2.251 174.105 176.300 0.094 0.000 1.097 318 R CA -0.528 55.620 56.100 0.080 0.000 0.940 318 R CB 1.228 31.548 30.300 0.034 0.000 1.198 318 R HN 0.017 nan 8.270 nan 0.000 0.429 319 L N 4.989 126.321 121.223 0.182 0.000 2.356 319 L HA 0.650 4.990 4.340 -0.001 0.000 0.277 319 L C -1.877 175.249 176.870 0.427 0.000 0.996 319 L CA -0.440 54.517 54.840 0.196 0.000 0.822 319 L CB 1.305 43.433 42.059 0.116 0.000 1.256 319 L HN 0.564 nan 8.230 nan 0.000 0.413 320 W N 5.880 127.207 121.300 0.044 0.000 2.532 320 W HA 0.747 5.406 4.660 -0.001 0.000 0.321 320 W C -0.863 175.704 176.519 0.079 0.000 1.037 320 W CA -0.952 56.470 57.345 0.128 0.000 1.220 320 W CB 1.810 31.361 29.460 0.151 0.000 1.361 320 W HN 0.448 nan 8.180 nan 0.000 0.468 321 V N 1.495 121.576 119.914 0.280 0.000 3.087 321 V HA 0.507 4.627 4.120 -0.001 0.000 0.306 321 V C -0.239 175.948 176.094 0.155 0.000 1.187 321 V CA -1.720 60.667 62.300 0.146 0.000 0.999 321 V CB 1.167 33.032 31.823 0.070 0.000 1.049 321 V HN 0.327 nan 8.190 nan 0.000 0.431 322 L N 2.180 123.461 121.223 0.097 0.000 2.506 322 L HA 0.133 4.473 4.340 -0.001 0.000 0.281 322 L C 1.729 178.568 176.870 -0.051 0.000 1.228 322 L CA 0.188 55.041 54.840 0.023 0.000 0.850 322 L CB 0.309 42.384 42.059 0.027 0.000 1.110 322 L HN 1.068 nan 8.230 nan 0.000 0.496 323 D N 0.572 120.867 120.400 -0.175 0.000 2.322 323 D HA -0.288 4.352 4.640 -0.001 0.000 0.210 323 D C 1.625 177.858 176.300 -0.111 0.000 0.983 323 D CA 1.462 55.341 54.000 -0.201 0.000 0.902 323 D CB -0.351 40.285 40.800 -0.272 0.000 0.905 323 D HN 0.620 nan 8.370 nan 0.000 0.483 324 Y N 0.383 120.666 120.300 -0.029 0.000 2.151 324 Y HA -0.146 4.403 4.550 -0.001 0.000 0.284 324 Y C 1.632 177.528 175.900 -0.006 0.000 1.166 324 Y CA -0.022 58.071 58.100 -0.012 0.000 1.163 324 Y CB -0.098 38.361 38.460 -0.001 0.000 0.974 324 Y HN 0.017 nan 8.280 nan 0.000 0.511 325 I N 3.166 123.824 120.570 0.146 0.000 3.197 325 I HA -0.184 3.986 4.170 -0.001 0.000 0.293 325 I C 0.180 176.325 176.117 0.046 0.000 1.227 325 I CA 1.203 62.546 61.300 0.072 0.000 1.369 325 I CB -0.810 37.215 38.000 0.042 0.000 1.441 325 I HN 0.435 nan 8.210 nan 0.000 0.539 326 E N 5.258 125.494 120.200 0.060 0.000 2.504 326 E HA 0.140 4.490 4.350 -0.001 0.000 0.253 326 E C 0.715 177.349 176.600 0.056 0.000 1.151 326 E CA -0.851 55.577 56.400 0.047 0.000 0.972 326 E CB 0.581 30.313 29.700 0.054 0.000 1.247 326 E HN 0.398 nan 8.360 nan 0.000 0.519 327 D N 0.868 121.303 120.400 0.058 0.000 2.268 327 D HA -0.307 4.333 4.640 -0.001 0.000 0.189 327 D C 1.769 178.100 176.300 0.051 0.000 1.010 327 D CA 2.390 56.426 54.000 0.061 0.000 0.862 327 D CB -0.625 40.206 40.800 0.053 0.000 0.943 327 D HN 0.518 nan 8.370 nan 0.000 0.451 328 A N 0.293 123.141 122.820 0.048 0.000 1.933 328 A HA 0.003 4.322 4.320 -0.001 0.000 0.218 328 A C 2.388 179.998 177.584 0.043 0.000 1.175 328 A CA 2.212 54.276 52.037 0.045 0.000 0.628 328 A CB -0.983 18.048 19.000 0.052 0.000 0.814 328 A HN 0.333 nan 8.150 nan 0.000 0.444 329 G N -0.337 108.492 108.800 0.048 0.000 2.402 329 G HA2 -0.106 3.854 3.960 -0.001 0.000 0.216 329 G HA3 -0.106 3.854 3.960 -0.001 0.000 0.216 329 G C 1.479 176.397 174.900 0.030 0.000 1.162 329 G CA 0.967 46.090 45.100 0.038 0.000 0.777 329 G HN 0.432 nan 8.290 nan 0.000 0.539 330 L N -0.083 121.166 121.223 0.044 0.000 2.395 330 L HA 0.123 4.462 4.340 -0.001 0.000 0.218 330 L C 2.606 179.493 176.870 0.029 0.000 1.130 330 L CA 0.480 55.347 54.840 0.045 0.000 0.826 330 L CB -0.077 42.028 42.059 0.075 0.000 0.941 330 L HN 0.274 nan 8.230 nan 0.000 0.451 331 E N -0.157 120.059 120.200 0.026 0.000 2.152 331 E HA -0.155 4.194 4.350 -0.001 0.000 0.192 331 E C 2.191 178.796 176.600 0.008 0.000 0.983 331 E CA 0.869 57.278 56.400 0.015 0.000 0.818 331 E CB 0.279 29.990 29.700 0.018 0.000 0.758 331 E HN 0.270 nan 8.360 nan 0.000 0.467 332 V N 1.271 121.189 119.914 0.007 0.000 2.358 332 V HA -0.239 3.881 4.120 -0.001 0.000 0.246 332 V C 2.382 178.469 176.094 -0.011 0.000 1.047 332 V CA 1.286 63.582 62.300 -0.006 0.000 1.035 332 V CB -0.413 31.401 31.823 -0.015 0.000 0.658 332 V HN 0.304 nan 8.190 nan 0.000 0.452 333 L N 1.168 122.388 121.223 -0.005 0.000 2.013 333 L HA -0.201 4.139 4.340 -0.001 0.000 0.212 333 L C 2.416 179.284 176.870 -0.002 0.000 1.073 333 L CA 2.620 57.458 54.840 -0.004 0.000 0.753 333 L CB -0.790 41.276 42.059 0.011 0.000 0.890 333 L HN 0.236 nan 8.230 nan 0.000 0.432 334 A N -1.682 121.138 122.820 0.001 0.000 2.015 334 A HA -0.167 4.152 4.320 -0.001 0.000 0.219 334 A C 2.483 180.064 177.584 -0.006 0.000 1.163 334 A CA 1.736 53.772 52.037 -0.001 0.000 0.646 334 A CB -0.816 18.183 19.000 -0.003 0.000 0.806 334 A HN 0.636 nan 8.150 nan 0.000 0.448 335 S N -0.742 114.953 115.700 -0.008 0.000 2.470 335 S HA -0.074 4.396 4.470 -0.001 0.000 0.222 335 S C 1.813 176.405 174.600 -0.014 0.000 1.024 335 S CA 1.489 59.682 58.200 -0.010 0.000 0.931 335 S CB -0.589 62.605 63.200 -0.009 0.000 0.791 335 S HN 0.628 nan 8.310 nan 0.000 0.513 336 T N -1.503 113.040 114.554 -0.018 0.000 3.057 336 T HA 0.257 4.607 4.350 -0.001 0.000 0.254 336 T C 0.694 175.383 174.700 -0.019 0.000 1.094 336 T CA 0.109 62.195 62.100 -0.023 0.000 1.088 336 T CB -0.579 68.267 68.868 -0.036 0.000 0.934 336 T HN 0.374 nan 8.240 nan 0.000 0.497 337 C N 3.038 122.330 119.300 -0.013 0.000 2.439 337 C HA 0.461 4.920 4.460 -0.001 0.000 0.298 337 C C 1.401 176.389 174.990 -0.003 0.000 1.094 337 C CA -1.134 57.879 59.018 -0.008 0.000 1.609 337 C CB -0.442 27.295 27.740 -0.004 0.000 1.723 337 C HN 0.396 nan 8.230 nan 0.000 0.423 338 K N 0.464 120.861 120.400 -0.005 0.000 2.426 338 K HA -0.019 4.301 4.320 -0.001 0.000 0.193 338 K C 0.802 177.402 176.600 -0.001 0.000 1.028 338 K CA 0.601 56.886 56.287 -0.004 0.000 1.047 338 K CB 0.340 32.837 32.500 -0.006 0.000 0.821 338 K HN 0.503 nan 8.250 nan 0.000 0.513 339 D N 0.748 121.148 120.400 0.000 0.000 2.339 339 D HA 0.004 4.644 4.640 -0.001 0.000 0.217 339 D C -0.160 176.146 176.300 0.010 0.000 1.050 339 D CA -0.163 53.839 54.000 0.004 0.000 0.856 339 D CB 0.081 40.882 40.800 0.002 0.000 0.922 339 D HN -0.088 nan 8.370 nan 0.000 0.518 340 L N 1.503 122.734 121.223 0.013 0.000 2.667 340 L HA -0.061 4.279 4.340 -0.001 0.000 0.278 340 L C 1.305 178.193 176.870 0.030 0.000 1.217 340 L CA 0.593 55.448 54.840 0.025 0.000 0.935 340 L CB 0.431 42.506 42.059 0.027 0.000 1.193 340 L HN -0.027 nan 8.230 nan 0.000 0.493 341 R N 2.818 123.341 120.500 0.039 0.000 2.237 341 R HA 0.230 4.570 4.340 -0.001 0.000 0.195 341 R C 0.027 176.366 176.300 0.065 0.000 0.956 341 R CA 0.269 56.397 56.100 0.046 0.000 1.029 341 R CB -0.081 30.245 30.300 0.043 0.000 0.972 341 R HN 0.658 nan 8.270 nan 0.000 0.493 342 E N 0.806 121.057 120.200 0.084 0.000 2.287 342 E HA 0.296 4.645 4.350 -0.001 0.000 0.274 342 E C -1.810 174.870 176.600 0.133 0.000 0.896 342 E CA -0.627 55.844 56.400 0.119 0.000 0.788 342 E CB 1.404 31.208 29.700 0.172 0.000 1.244 342 E HN -0.105 nan 8.360 nan 0.000 0.408 343 L N 4.714 125.994 121.223 0.095 0.000 2.376 343 L HA 0.539 4.878 4.340 -0.001 0.000 0.275 343 L C -1.425 175.437 176.870 -0.013 0.000 0.987 343 L CA -0.306 54.580 54.840 0.078 0.000 0.828 343 L CB 1.272 43.370 42.059 0.065 0.000 1.249 343 L HN 0.488 nan 8.230 nan 0.000 0.409 344 R N 4.560 125.022 120.500 -0.063 0.000 2.393 344 R HA 0.696 5.036 4.340 -0.001 0.000 0.315 344 R C -1.378 174.680 176.300 -0.403 0.000 0.952 344 R CA -0.866 54.987 56.100 -0.412 0.000 0.842 344 R CB 2.127 31.890 30.300 -0.895 0.000 1.163 344 R HN 0.430 nan 8.270 nan 0.000 0.450 345 V N 5.044 124.679 119.914 -0.465 0.000 2.334 345 V HA 0.390 4.509 4.120 -0.001 0.000 0.281 345 V C -0.487 175.315 176.094 -0.486 0.000 1.016 345 V CA -0.652 61.400 62.300 -0.414 0.000 0.832 345 V CB 0.520 32.086 31.823 -0.428 0.000 0.999 345 V HN 0.529 nan 8.190 nan 0.000 0.439 346 F N 6.285 126.141 119.950 -0.156 0.000 2.399 346 F HA 0.580 5.107 4.527 -0.001 0.000 0.328 346 F C -1.957 173.647 175.800 -0.326 0.000 1.084 346 F CA -2.750 55.099 58.000 -0.252 0.000 1.053 346 F CB 1.263 40.092 39.000 -0.285 0.000 1.209 346 F HN 0.275 nan 8.300 nan 0.000 0.502 347 P HA 0.111 nan 4.420 nan 0.000 0.286 347 P C 0.073 177.179 177.300 -0.324 0.000 1.269 347 P CA -0.277 62.633 63.100 -0.318 0.000 0.787 347 P CB 1.549 33.016 31.700 -0.388 0.000 0.920 348 S N 2.537 117.999 115.700 -0.395 0.000 2.368 348 S HA -0.091 4.379 4.470 -0.001 0.000 0.224 348 S C 0.569 175.026 174.600 -0.238 0.000 1.029 348 S CA 0.787 58.743 58.200 -0.405 0.000 0.988 348 S CB -0.523 62.121 63.200 -0.927 0.000 0.838 348 S HN 0.522 nan 8.310 nan 0.000 0.462 349 E N 2.139 122.198 120.200 -0.235 0.000 3.037 349 E HA 0.234 4.584 4.350 -0.001 0.000 0.220 349 E C -2.276 174.169 176.600 -0.258 0.000 1.142 349 E CA -1.761 54.538 56.400 -0.169 0.000 0.888 349 E CB 1.364 31.020 29.700 -0.073 0.000 1.329 349 E HN 0.433 nan 8.360 nan 0.000 0.409 350 P HA -0.086 nan 4.420 nan 0.000 0.228 350 P C 0.499 177.483 177.300 -0.526 0.000 1.151 350 P CA 0.823 63.574 63.100 -0.582 0.000 0.770 350 P CB -0.028 31.123 31.700 -0.914 0.000 0.786 351 F N -0.795 119.117 119.950 -0.063 0.000 2.664 351 F HA 0.164 4.691 4.527 -0.001 0.000 0.303 351 F C 0.875 176.652 175.800 -0.038 0.000 1.092 351 F CA -0.478 57.494 58.000 -0.048 0.000 1.305 351 F CB 0.501 39.477 39.000 -0.040 0.000 1.054 351 F HN -0.357 nan 8.300 nan 0.000 0.565 352 V N 1.623 121.576 119.914 0.065 0.000 2.417 352 V HA 0.096 4.215 4.120 -0.001 0.000 0.291 352 V C 1.001 177.096 176.094 0.001 0.000 1.024 352 V CA -0.596 61.725 62.300 0.036 0.000 0.861 352 V CB 1.815 33.648 31.823 0.018 0.000 0.985 352 V HN 0.358 nan 8.190 nan 0.000 0.436 353 M N 3.379 122.982 119.600 0.004 0.000 2.175 353 M HA 0.022 4.502 4.480 -0.001 0.000 0.264 353 M C 0.443 176.729 176.300 -0.024 0.000 1.063 353 M CA 1.626 56.919 55.300 -0.012 0.000 1.119 353 M CB 0.283 32.877 32.600 -0.010 0.000 1.377 353 M HN 0.679 nan 8.290 nan 0.000 0.415 354 E N 2.177 122.366 120.200 -0.018 0.000 2.227 354 E HA 0.303 4.653 4.350 -0.001 0.000 0.282 354 E C -2.390 174.193 176.600 -0.029 0.000 1.015 354 E CA -2.958 53.428 56.400 -0.024 0.000 0.823 354 E CB -0.488 29.204 29.700 -0.014 0.000 1.081 354 E HN 0.210 nan 8.360 nan 0.000 0.396 355 P HA -0.043 nan 4.420 nan 0.000 0.261 355 P C -0.127 177.159 177.300 -0.024 0.000 1.203 355 P CA -0.008 63.065 63.100 -0.045 0.000 0.767 355 P CB 0.393 32.061 31.700 -0.054 0.000 0.785 356 N N 2.378 121.066 118.700 -0.021 0.000 2.383 356 N HA 0.048 4.788 4.740 -0.001 0.000 0.192 356 N C -0.159 175.372 175.510 0.036 0.000 1.141 356 N CA -0.070 52.990 53.050 0.017 0.000 0.851 356 N CB 0.234 38.741 38.487 0.033 0.000 0.976 356 N HN 0.217 nan 8.380 nan 0.000 0.465 357 V N 0.070 119.987 119.914 0.005 0.000 3.000 357 V HA 0.518 4.638 4.120 -0.001 0.000 0.300 357 V C -1.048 175.047 176.094 0.002 0.000 1.251 357 V CA -1.070 61.245 62.300 0.025 0.000 0.972 357 V CB 1.937 33.755 31.823 -0.008 0.000 1.065 357 V HN 0.217 nan 8.190 nan 0.000 0.431 358 A N 5.612 128.444 122.820 0.021 0.000 3.026 358 A HA 0.549 4.868 4.320 -0.001 0.000 0.272 358 A C -0.551 177.038 177.584 0.009 0.000 1.782 358 A CA 0.353 52.397 52.037 0.010 0.000 1.451 358 A CB -0.773 18.240 19.000 0.022 0.000 1.081 358 A HN 0.948 nan 8.150 nan 0.000 0.611 359 L N 2.234 123.449 121.223 -0.013 0.000 2.404 359 L HA 0.718 5.058 4.340 -0.001 0.000 0.272 359 L C 0.021 176.896 176.870 0.009 0.000 0.980 359 L CA 0.325 55.161 54.840 -0.006 0.000 0.836 359 L CB 2.102 44.118 42.059 -0.071 0.000 1.238 359 L HN 0.525 nan 8.230 nan 0.000 0.408 360 T N -0.329 114.273 114.554 0.081 0.000 2.654 360 T HA 0.441 4.790 4.350 -0.001 0.000 0.289 360 T C 0.747 175.547 174.700 0.167 0.000 1.062 360 T CA 0.068 62.217 62.100 0.082 0.000 1.041 360 T CB 0.976 69.852 68.868 0.013 0.000 1.417 360 T HN 0.513 nan 8.240 nan 0.000 0.510 361 E N 0.391 120.660 120.200 0.117 0.000 2.208 361 E HA -0.239 4.111 4.350 -0.001 0.000 0.202 361 E C 1.915 178.525 176.600 0.017 0.000 1.014 361 E CA 1.891 58.326 56.400 0.059 0.000 0.819 361 E CB -0.502 29.231 29.700 0.055 0.000 0.735 361 E HN 0.597 nan 8.360 nan 0.000 0.469 362 Q N 0.522 120.353 119.800 0.051 0.000 2.049 362 Q HA 0.000 4.340 4.340 -0.001 0.000 0.198 362 Q C 2.272 178.283 176.000 0.018 0.000 0.971 362 Q CA 1.952 57.771 55.803 0.026 0.000 0.833 362 Q CB -0.974 27.788 28.738 0.039 0.000 0.896 362 Q HN 0.311 nan 8.270 nan 0.000 0.434 363 G N 1.315 110.157 108.800 0.071 0.000 2.624 363 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.221 363 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.221 363 G C 1.330 176.226 174.900 -0.007 0.000 1.169 363 G CA 1.402 46.559 45.100 0.095 0.000 0.771 363 G HN 0.434 nan 8.290 nan 0.000 0.598 364 L N 0.721 121.834 121.223 -0.184 0.000 2.044 364 L HA 0.054 4.394 4.340 -0.001 0.000 0.205 364 L C 3.044 179.803 176.870 -0.186 0.000 1.075 364 L CA 1.445 56.058 54.840 -0.378 0.000 0.747 364 L CB -0.762 40.748 42.059 -0.915 0.000 0.903 364 L HN 0.119 nan 8.230 nan 0.000 0.435 365 V N -0.241 119.589 119.914 -0.141 0.000 2.236 365 V HA -0.430 3.690 4.120 -0.001 0.000 0.255 365 V C 2.612 178.668 176.094 -0.065 0.000 1.068 365 V CA 2.275 64.520 62.300 -0.091 0.000 1.044 365 V CB -1.401 30.380 31.823 -0.070 0.000 0.653 365 V HN 0.573 nan 8.190 nan 0.000 0.448 366 S N -0.661 115.013 115.700 -0.043 0.000 2.359 366 S HA -0.206 4.264 4.470 -0.001 0.000 0.223 366 S C 1.914 176.497 174.600 -0.027 0.000 1.039 366 S CA 1.747 59.931 58.200 -0.026 0.000 1.042 366 S CB -0.428 62.768 63.200 -0.006 0.000 0.915 366 S HN 0.360 nan 8.310 nan 0.000 0.439 367 V N 1.053 120.950 119.914 -0.028 0.000 2.667 367 V HA -0.093 4.027 4.120 -0.001 0.000 0.252 367 V C 2.446 178.524 176.094 -0.026 0.000 1.065 367 V CA 1.398 63.688 62.300 -0.017 0.000 1.083 367 V CB -0.555 31.265 31.823 -0.005 0.000 0.692 367 V HN 0.432 nan 8.190 nan 0.000 0.468 368 S N 0.006 115.679 115.700 -0.046 0.000 2.370 368 S HA -0.178 4.292 4.470 -0.001 0.000 0.226 368 S C 1.753 176.324 174.600 -0.047 0.000 1.033 368 S CA 2.061 60.230 58.200 -0.051 0.000 1.011 368 S CB -0.165 62.989 63.200 -0.078 0.000 0.852 368 S HN 0.641 nan 8.310 nan 0.000 0.457 369 M N -1.031 118.542 119.600 -0.045 0.000 2.461 369 M HA 0.313 4.793 4.480 -0.001 0.000 0.255 369 M C 1.931 178.213 176.300 -0.030 0.000 1.137 369 M CA 0.608 55.882 55.300 -0.043 0.000 1.086 369 M CB -0.213 32.360 32.600 -0.045 0.000 1.356 369 M HN 0.277 nan 8.290 nan 0.000 0.487 370 G N 0.483 109.269 108.800 -0.024 0.000 2.838 370 G HA2 0.098 4.058 3.960 -0.001 0.000 0.210 370 G HA3 0.098 4.058 3.960 -0.001 0.000 0.210 370 G C 0.095 174.987 174.900 -0.013 0.000 1.153 370 G CA 0.012 45.102 45.100 -0.017 0.000 0.778 370 G HN 0.460 nan 8.290 nan 0.000 0.539 371 C N 1.698 120.991 119.300 -0.012 0.000 2.317 371 C HA 0.368 4.827 4.460 -0.001 0.000 0.306 371 C C -1.371 173.615 174.990 -0.006 0.000 1.087 371 C CA -1.333 57.682 59.018 -0.006 0.000 1.529 371 C CB 1.425 29.166 27.740 0.002 0.000 1.880 371 C HN 0.192 nan 8.230 nan 0.000 0.417 372 P HA -0.095 nan 4.420 nan 0.000 0.226 372 P C 0.977 178.275 177.300 -0.004 0.000 1.153 372 P CA 1.261 64.356 63.100 -0.009 0.000 0.777 372 P CB 0.082 31.776 31.700 -0.009 0.000 0.794 373 K N -0.852 119.549 120.400 0.002 0.000 2.399 373 K HA 0.200 4.520 4.320 -0.001 0.000 0.204 373 K C 0.482 177.092 176.600 0.017 0.000 1.023 373 K CA -0.446 55.846 56.287 0.008 0.000 1.127 373 K CB 0.021 32.526 32.500 0.010 0.000 0.856 373 K HN 0.218 nan 8.250 nan 0.000 0.514 374 L N 3.574 124.807 121.223 0.017 0.000 2.700 374 L HA -0.128 4.212 4.340 -0.001 0.000 0.276 374 L C 1.327 178.217 176.870 0.035 0.000 1.200 374 L CA 0.737 55.595 54.840 0.030 0.000 0.951 374 L CB 0.291 42.365 42.059 0.026 0.000 1.226 374 L HN 0.441 nan 8.230 nan 0.000 0.489 375 E N 1.030 121.258 120.200 0.048 0.000 2.508 375 E HA 0.069 4.419 4.350 -0.001 0.000 0.217 375 E C 0.296 176.943 176.600 0.079 0.000 0.896 375 E CA -0.288 56.145 56.400 0.053 0.000 1.118 375 E CB 0.709 30.434 29.700 0.041 0.000 1.133 375 E HN 0.370 nan 8.360 nan 0.000 0.526 376 S N 0.958 116.706 115.700 0.081 0.000 2.707 376 S HA 0.484 4.954 4.470 -0.001 0.000 0.312 376 S C -1.284 173.354 174.600 0.063 0.000 1.116 376 S CA -0.557 57.693 58.200 0.084 0.000 1.078 376 S CB 1.527 64.778 63.200 0.086 0.000 0.997 376 S HN 0.120 nan 8.310 nan 0.000 0.477 377 V N 5.889 125.827 119.914 0.040 0.000 2.531 377 V HA 0.621 4.741 4.120 -0.001 0.000 0.301 377 V C -0.895 175.087 176.094 -0.188 0.000 1.034 377 V CA -0.738 61.528 62.300 -0.057 0.000 0.865 377 V CB 1.625 33.416 31.823 -0.053 0.000 0.995 377 V HN 0.787 nan 8.190 nan 0.000 0.424 378 L N 6.194 127.290 121.223 -0.211 0.000 2.343 378 L HA 0.653 4.992 4.340 -0.001 0.000 0.278 378 L C -1.605 175.086 176.870 -0.299 0.000 0.996 378 L CA -0.270 54.379 54.840 -0.318 0.000 0.831 378 L CB 1.381 43.233 42.059 -0.346 0.000 1.232 378 L HN 0.631 nan 8.230 nan 0.000 0.413 379 Y N 4.887 124.870 120.300 -0.528 0.000 2.354 379 Y HA 0.586 5.136 4.550 -0.001 0.000 0.330 379 Y C -1.554 174.064 175.900 -0.471 0.000 1.011 379 Y CA -0.661 57.197 58.100 -0.403 0.000 1.099 379 Y CB 1.446 39.714 38.460 -0.320 0.000 1.179 379 Y HN 0.522 nan 8.280 nan 0.000 0.442 380 F N 5.915 125.601 119.950 -0.440 0.000 2.385 380 F HA 0.547 5.074 4.527 -0.001 0.000 0.360 380 F C 0.286 175.862 175.800 -0.374 0.000 1.122 380 F CA -0.581 57.231 58.000 -0.315 0.000 1.090 380 F CB 0.601 39.425 39.000 -0.294 0.000 1.150 380 F HN 0.642 nan 8.300 nan 0.000 0.472 381 C N 1.472 120.728 119.300 -0.072 0.000 3.307 381 C HA 0.643 5.103 4.460 -0.001 0.000 0.350 381 C C 0.901 175.881 174.990 -0.017 0.000 1.549 381 C CA -1.083 57.898 59.018 -0.060 0.000 1.396 381 C CB 2.113 29.880 27.740 0.044 0.000 1.970 381 C HN 0.894 nan 8.230 nan 0.000 0.441 382 R N 0.560 121.038 120.500 -0.037 0.000 2.362 382 R HA 0.242 4.581 4.340 -0.001 0.000 0.227 382 R C 0.248 176.516 176.300 -0.053 0.000 0.905 382 R CA 0.272 56.344 56.100 -0.046 0.000 1.067 382 R CB 0.117 30.376 30.300 -0.068 0.000 1.078 382 R HN 0.870 nan 8.270 nan 0.000 0.516 383 Q N -0.101 119.672 119.800 -0.043 0.000 2.482 383 Q HA 0.565 4.904 4.340 -0.001 0.000 0.286 383 Q C -1.510 174.533 176.000 0.072 0.000 1.007 383 Q CA -1.126 54.643 55.803 -0.056 0.000 0.801 383 Q CB 1.949 30.451 28.738 -0.392 0.000 1.455 383 Q HN -0.066 nan 8.270 nan 0.000 0.398 384 M N 1.126 120.840 119.600 0.191 0.000 2.643 384 M HA 0.540 5.019 4.480 -0.001 0.000 0.276 384 M C -1.955 174.457 176.300 0.187 0.000 1.200 384 M CA 0.158 55.557 55.300 0.165 0.000 0.863 384 M CB 2.688 35.345 32.600 0.095 0.000 1.711 384 M HN 0.911 nan 8.290 nan 0.000 0.492 385 T N -0.525 114.072 114.554 0.071 0.000 2.907 385 T HA 0.532 4.881 4.350 -0.001 0.000 0.292 385 T C 0.352 175.003 174.700 -0.081 0.000 1.043 385 T CA -0.816 61.272 62.100 -0.020 0.000 1.003 385 T CB 1.211 70.037 68.868 -0.069 0.000 1.084 385 T HN 0.651 nan 8.240 nan 0.000 0.483 386 N N 1.213 119.862 118.700 -0.084 0.000 2.094 386 N HA -0.161 4.579 4.740 -0.001 0.000 0.191 386 N C 2.233 177.668 175.510 -0.125 0.000 1.023 386 N CA 1.818 54.803 53.050 -0.107 0.000 0.857 386 N CB -0.890 37.557 38.487 -0.066 0.000 1.013 386 N HN 0.868 nan 8.380 nan 0.000 0.426 387 A N 0.864 123.618 122.820 -0.108 0.000 1.908 387 A HA -0.013 4.307 4.320 -0.001 0.000 0.218 387 A C 2.374 179.885 177.584 -0.121 0.000 1.181 387 A CA 2.079 54.050 52.037 -0.111 0.000 0.627 387 A CB -0.758 18.184 19.000 -0.095 0.000 0.818 387 A HN 0.357 nan 8.150 nan 0.000 0.445 388 A N -0.561 122.194 122.820 -0.109 0.000 1.929 388 A HA 0.093 4.413 4.320 -0.001 0.000 0.216 388 A C 2.140 179.627 177.584 -0.162 0.000 1.176 388 A CA 1.254 53.225 52.037 -0.110 0.000 0.628 388 A CB -0.509 18.449 19.000 -0.070 0.000 0.816 388 A HN 0.451 nan 8.150 nan 0.000 0.444 389 L N 0.096 121.198 121.223 -0.202 0.000 2.017 389 L HA -0.192 4.148 4.340 -0.001 0.000 0.208 389 L C 2.398 179.090 176.870 -0.297 0.000 1.073 389 L CA 1.579 56.245 54.840 -0.290 0.000 0.745 389 L CB -0.562 41.251 42.059 -0.411 0.000 0.894 389 L HN 0.478 nan 8.230 nan 0.000 0.432 390 I N -2.326 118.091 120.570 -0.255 0.000 2.676 390 I HA -0.157 4.013 4.170 -0.001 0.000 0.259 390 I C 2.289 178.234 176.117 -0.286 0.000 1.194 390 I CA 0.965 62.097 61.300 -0.281 0.000 1.473 390 I CB -1.046 36.810 38.000 -0.240 0.000 1.096 390 I HN 0.176 nan 8.210 nan 0.000 0.443 391 T N 2.080 116.501 114.554 -0.222 0.000 2.737 391 T HA 0.008 4.357 4.350 -0.001 0.000 0.265 391 T C 2.046 176.626 174.700 -0.201 0.000 1.038 391 T CA 1.299 63.283 62.100 -0.193 0.000 1.144 391 T CB -0.222 68.561 68.868 -0.141 0.000 0.866 391 T HN 0.261 nan 8.240 nan 0.000 0.434 392 I N 1.444 121.889 120.570 -0.208 0.000 2.194 392 I HA -0.251 3.919 4.170 -0.001 0.000 0.246 392 I C 2.835 178.790 176.117 -0.269 0.000 1.093 392 I CA 1.355 62.525 61.300 -0.217 0.000 1.355 392 I CB -0.454 37.414 38.000 -0.220 0.000 1.046 392 I HN 0.208 nan 8.210 nan 0.000 0.413 393 A N 0.773 123.393 122.820 -0.333 0.000 1.874 393 A HA -0.118 4.202 4.320 -0.001 0.000 0.214 393 A C 2.399 179.787 177.584 -0.326 0.000 1.189 393 A CA 0.981 52.813 52.037 -0.342 0.000 0.615 393 A CB -0.445 18.333 19.000 -0.370 0.000 0.830 393 A HN 0.274 nan 8.150 nan 0.000 0.443 394 R N 0.025 120.269 120.500 -0.427 0.000 2.083 394 R HA -0.140 4.199 4.340 -0.001 0.000 0.237 394 R C 1.755 177.951 176.300 -0.172 0.000 1.137 394 R CA 1.609 57.502 56.100 -0.344 0.000 0.951 394 R CB -0.491 29.609 30.300 -0.334 0.000 0.851 394 R HN 0.470 nan 8.270 nan 0.000 0.434 395 N N 0.355 118.962 118.700 -0.155 0.000 2.289 395 N HA -0.102 4.638 4.740 -0.001 0.000 0.184 395 N C 0.485 175.945 175.510 -0.083 0.000 1.016 395 N CA 1.038 54.025 53.050 -0.104 0.000 0.872 395 N CB 0.119 38.547 38.487 -0.099 0.000 0.973 395 N HN 0.067 nan 8.380 nan 0.000 0.433 396 R N 0.356 120.797 120.500 -0.099 0.000 2.886 396 R HA 0.219 4.559 4.340 -0.001 0.000 0.306 396 R C -2.005 174.257 176.300 -0.064 0.000 1.300 396 R CA -1.144 54.913 56.100 -0.073 0.000 1.441 396 R CB 0.935 31.192 30.300 -0.071 0.000 1.328 396 R HN 0.186 nan 8.270 nan 0.000 0.629 397 P HA -0.038 nan 4.420 nan 0.000 0.245 397 P C 0.369 177.658 177.300 -0.017 0.000 1.212 397 P CA 0.558 63.645 63.100 -0.022 0.000 0.774 397 P CB 0.199 31.902 31.700 0.006 0.000 0.999 398 N N -0.880 117.810 118.700 -0.017 0.000 2.398 398 N HA -0.001 4.738 4.740 -0.001 0.000 0.188 398 N C 0.646 176.158 175.510 0.003 0.000 1.122 398 N CA -0.164 52.883 53.050 -0.005 0.000 0.866 398 N CB -0.679 37.806 38.487 -0.002 0.000 0.970 398 N HN 0.062 nan 8.380 nan 0.000 0.462 399 M N 1.168 120.764 119.600 -0.005 0.000 2.248 399 M HA -0.035 4.445 4.480 -0.001 0.000 0.343 399 M C 0.956 177.280 176.300 0.040 0.000 1.243 399 M CA 0.638 55.950 55.300 0.021 0.000 1.025 399 M CB 0.607 33.203 32.600 -0.007 0.000 1.759 399 M HN 0.017 nan 8.290 nan 0.000 0.452 400 T N 3.852 118.446 114.554 0.066 0.000 3.071 400 T HA 0.309 4.659 4.350 -0.001 0.000 0.239 400 T C -0.094 174.660 174.700 0.090 0.000 0.997 400 T CA 0.424 62.564 62.100 0.066 0.000 1.134 400 T CB 0.308 69.209 68.868 0.055 0.000 0.928 400 T HN 0.591 nan 8.240 nan 0.000 0.453 401 R N 0.731 121.298 120.500 0.112 0.000 2.435 401 R HA 0.461 4.801 4.340 -0.001 0.000 0.308 401 R C -1.901 174.510 176.300 0.186 0.000 0.975 401 R CA -0.462 55.711 56.100 0.121 0.000 0.867 401 R CB 1.273 31.622 30.300 0.081 0.000 1.171 401 R HN 0.126 nan 8.270 nan 0.000 0.470 402 F N 3.139 123.106 119.950 0.029 0.000 2.445 402 F HA 0.473 4.999 4.527 -0.001 0.000 0.348 402 F C -0.574 175.246 175.800 0.034 0.000 1.125 402 F CA -0.770 57.246 58.000 0.027 0.000 0.983 402 F CB 1.014 40.042 39.000 0.047 0.000 1.198 402 F HN 0.264 nan 8.300 nan 0.000 0.436 403 R N 6.303 126.550 120.500 -0.422 0.000 2.388 403 R HA 0.605 4.944 4.340 -0.001 0.000 0.314 403 R C -1.763 174.216 176.300 -0.535 0.000 0.959 403 R CA -0.832 55.061 56.100 -0.345 0.000 0.851 403 R CB 1.931 32.107 30.300 -0.206 0.000 1.168 403 R HN 0.672 nan 8.270 nan 0.000 0.472 404 L N 3.577 124.561 121.223 -0.398 0.000 2.372 404 L HA 0.485 4.825 4.340 -0.001 0.000 0.273 404 L C -1.385 175.359 176.870 -0.209 0.000 0.989 404 L CA -0.496 54.148 54.840 -0.327 0.000 0.841 404 L CB 1.527 43.477 42.059 -0.180 0.000 1.225 404 L HN 0.801 nan 8.230 nan 0.000 0.414 405 C N 6.947 126.015 119.300 -0.388 0.000 2.291 405 C HA 0.591 5.051 4.460 -0.001 0.000 0.322 405 C C -0.030 174.868 174.990 -0.153 0.000 1.205 405 C CA -0.794 58.012 59.018 -0.353 0.000 1.495 405 C CB -0.666 26.616 27.740 -0.764 0.000 2.127 405 C HN 0.782 nan 8.230 nan 0.000 0.452 406 I N 7.609 128.168 120.570 -0.019 0.000 2.325 406 I HA 0.196 4.366 4.170 -0.001 0.000 0.291 406 I C 1.393 177.523 176.117 0.022 0.000 1.019 406 I CA -0.283 61.033 61.300 0.027 0.000 1.302 406 I CB 1.206 39.248 38.000 0.070 0.000 1.401 406 I HN 0.620 nan 8.210 nan 0.000 0.485 407 I N 3.474 124.055 120.570 0.019 0.000 2.361 407 I HA -0.140 4.029 4.170 -0.001 0.000 0.251 407 I C 1.169 177.276 176.117 -0.017 0.000 1.133 407 I CA 1.106 62.412 61.300 0.010 0.000 1.413 407 I CB -0.528 37.465 38.000 -0.012 0.000 1.073 407 I HN 0.629 nan 8.210 nan 0.000 0.424 408 E N 1.583 121.769 120.200 -0.022 0.000 2.200 408 E HA 0.178 4.528 4.350 -0.001 0.000 0.283 408 E C -1.621 174.940 176.600 -0.066 0.000 1.015 408 E CA -2.109 54.260 56.400 -0.052 0.000 0.819 408 E CB 1.265 30.942 29.700 -0.039 0.000 1.081 408 E HN -0.127 nan 8.360 nan 0.000 0.397 409 P HA -0.260 nan 4.420 nan 0.000 0.224 409 P C -0.469 176.793 177.300 -0.063 0.000 1.153 409 P CA 2.122 65.087 63.100 -0.226 0.000 0.947 409 P CB 0.120 31.358 31.700 -0.770 0.000 0.790 410 K N -2.032 118.338 120.400 -0.050 0.000 2.934 410 K HA 0.495 4.815 4.320 -0.001 0.000 0.210 410 K C -0.212 176.413 176.600 0.042 0.000 1.122 410 K CA -0.470 55.835 56.287 0.030 0.000 1.033 410 K CB 0.854 33.373 32.500 0.031 0.000 0.779 410 K HN 0.022 nan 8.250 nan 0.000 0.459 411 A N 3.551 126.395 122.820 0.040 0.000 2.566 411 A HA 0.108 4.428 4.320 -0.001 0.000 0.245 411 A C -1.907 175.730 177.584 0.089 0.000 1.056 411 A CA -0.554 51.518 52.037 0.057 0.000 0.757 411 A CB -0.386 18.648 19.000 0.057 0.000 0.979 411 A HN 0.135 nan 8.150 nan 0.000 0.508 412 P HA 0.067 nan 4.420 nan 0.000 0.277 412 P C -0.323 177.047 177.300 0.117 0.000 1.271 412 P CA -0.590 62.568 63.100 0.096 0.000 0.795 412 P CB 0.421 32.166 31.700 0.074 0.000 1.101 413 D N 0.337 120.790 120.400 0.088 0.000 2.581 413 D HA -0.158 4.482 4.640 -0.001 0.000 0.238 413 D C 0.788 177.118 176.300 0.050 0.000 1.145 413 D CA 0.329 54.362 54.000 0.055 0.000 0.866 413 D CB 0.129 40.922 40.800 -0.011 0.000 1.151 413 D HN 0.389 nan 8.370 nan 0.000 0.500 414 Y N 3.129 123.436 120.300 0.013 0.000 2.561 414 Y HA 0.091 4.640 4.550 -0.001 0.000 0.291 414 Y C 1.444 177.348 175.900 0.007 0.000 1.141 414 Y CA 0.321 58.428 58.100 0.011 0.000 1.303 414 Y CB -0.102 38.364 38.460 0.011 0.000 1.015 414 Y HN 0.352 nan 8.280 nan 0.000 0.547 415 L N -0.675 120.103 121.223 -0.742 0.000 2.307 415 L HA 0.049 4.389 4.340 -0.001 0.000 0.211 415 L C 1.849 178.594 176.870 -0.209 0.000 1.099 415 L CA 1.251 55.803 54.840 -0.481 0.000 0.816 415 L CB -0.084 41.673 42.059 -0.504 0.000 0.952 415 L HN 0.230 nan 8.230 nan 0.000 0.455 416 T N -1.668 112.792 114.554 -0.157 0.000 2.964 416 T HA 0.274 4.623 4.350 -0.001 0.000 0.250 416 T C 1.069 175.747 174.700 -0.036 0.000 0.982 416 T CA -0.190 61.859 62.100 -0.085 0.000 0.959 416 T CB 0.587 69.404 68.868 -0.084 0.000 1.141 416 T HN 0.127 nan 8.240 nan 0.000 0.494 417 L N 0.658 121.870 121.223 -0.018 0.000 5.081 417 L HA -0.176 4.163 4.340 -0.001 0.000 0.423 417 L C 0.149 177.035 176.870 0.026 0.000 1.019 417 L CA 0.377 55.227 54.840 0.017 0.000 1.223 417 L CB -1.499 40.569 42.059 0.016 0.000 1.940 417 L HN 0.310 nan 8.230 nan 0.000 0.675 418 E N 0.739 120.950 120.200 0.019 0.000 2.392 418 E HA 0.243 4.592 4.350 -0.001 0.000 0.256 418 E C -2.025 174.611 176.600 0.060 0.000 1.145 418 E CA -1.419 55.003 56.400 0.037 0.000 0.929 418 E CB 0.540 30.258 29.700 0.030 0.000 0.998 418 E HN -0.025 nan 8.360 nan 0.000 0.442 419 P HA -0.009 nan 4.420 nan 0.000 0.272 419 P C -0.123 177.246 177.300 0.115 0.000 1.230 419 P CA 0.186 63.346 63.100 0.101 0.000 0.788 419 P CB 0.468 32.231 31.700 0.106 0.000 0.949 420 L N 1.233 122.551 121.223 0.159 0.000 2.660 420 L HA -0.028 4.312 4.340 -0.001 0.000 0.238 420 L C 1.006 178.028 176.870 0.254 0.000 1.161 420 L CA 0.404 55.357 54.840 0.188 0.000 0.937 420 L CB -0.694 41.541 42.059 0.293 0.000 1.122 420 L HN 0.337 nan 8.230 nan 0.000 0.435 421 D N 1.268 121.798 120.400 0.218 0.000 2.116 421 D HA -0.242 4.398 4.640 -0.001 0.000 0.193 421 D C 2.112 178.637 176.300 0.374 0.000 0.998 421 D CA 1.781 55.938 54.000 0.262 0.000 0.836 421 D CB -0.056 40.855 40.800 0.185 0.000 0.951 421 D HN 0.533 nan 8.370 nan 0.000 0.449 422 I N -1.669 119.051 120.570 0.250 0.000 2.439 422 I HA 0.077 4.247 4.170 -0.001 0.000 0.251 422 I C 2.355 178.475 176.117 0.005 0.000 1.139 422 I CA 1.310 62.691 61.300 0.135 0.000 1.438 422 I CB -0.789 37.243 38.000 0.054 0.000 1.085 422 I HN -0.114 nan 8.210 nan 0.000 0.427 423 G N 0.984 109.778 108.800 -0.010 0.000 2.422 423 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.218 423 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.218 423 G C 1.460 176.231 174.900 -0.215 0.000 1.146 423 G CA 0.717 45.718 45.100 -0.166 0.000 0.769 423 G HN 0.427 nan 8.290 nan 0.000 0.547 424 F N 0.816 120.777 119.950 0.019 0.000 2.446 424 F HA 0.208 4.735 4.527 -0.001 0.000 0.292 424 F C 2.827 178.637 175.800 0.017 0.000 1.096 424 F CA 0.363 58.373 58.000 0.017 0.000 1.438 424 F CB -0.063 38.967 39.000 0.050 0.000 1.107 424 F HN 0.175 nan 8.300 nan 0.000 0.546 425 G N 0.324 109.289 108.800 0.276 0.000 2.545 425 G HA2 -0.356 3.604 3.960 -0.001 0.000 0.222 425 G HA3 -0.356 3.604 3.960 -0.001 0.000 0.222 425 G C 1.804 176.592 174.900 -0.187 0.000 1.126 425 G CA 1.160 46.284 45.100 0.041 0.000 0.754 425 G HN 0.439 nan 8.290 nan 0.000 0.583 426 A N 0.154 122.876 122.820 -0.162 0.000 1.930 426 A HA 0.251 4.571 4.320 -0.001 0.000 0.215 426 A C 2.350 179.859 177.584 -0.125 0.000 1.176 426 A CA 0.983 52.925 52.037 -0.158 0.000 0.632 426 A CB -0.235 18.645 19.000 -0.200 0.000 0.819 426 A HN 0.324 nan 8.150 nan 0.000 0.445 427 I N -0.818 119.652 120.570 -0.167 0.000 2.264 427 I HA -0.209 3.960 4.170 -0.001 0.000 0.248 427 I C 2.231 178.286 176.117 -0.103 0.000 1.111 427 I CA 1.127 62.299 61.300 -0.214 0.000 1.382 427 I CB 0.098 37.894 38.000 -0.341 0.000 1.060 427 I HN 0.184 nan 8.210 nan 0.000 0.418 428 V N -0.415 119.475 119.914 -0.040 0.000 2.992 428 V HA -0.127 3.992 4.120 -0.001 0.000 0.250 428 V C 2.233 178.288 176.094 -0.065 0.000 1.090 428 V CA 1.187 63.499 62.300 0.020 0.000 1.101 428 V CB 0.049 31.947 31.823 0.125 0.000 0.743 428 V HN 0.424 nan 8.190 nan 0.000 0.468 429 E N -0.722 119.301 120.200 -0.295 0.000 2.072 429 E HA -0.209 4.141 4.350 -0.001 0.000 0.190 429 E C 2.049 178.410 176.600 -0.398 0.000 0.982 429 E CA 1.236 57.239 56.400 -0.662 0.000 0.803 429 E CB -0.063 29.037 29.700 -1.000 0.000 0.755 429 E HN 0.711 nan 8.360 nan 0.000 0.453 430 H N -1.387 117.532 119.070 -0.252 0.000 2.497 430 H HA 0.095 4.651 4.556 -0.001 0.000 0.282 430 H C 0.359 175.612 175.328 -0.125 0.000 1.003 430 H CA 0.484 56.423 56.048 -0.183 0.000 1.307 430 H CB 0.380 30.028 29.762 -0.189 0.000 1.437 430 H HN 0.175 nan 8.280 nan 0.000 0.544 431 C N 3.545 122.830 119.300 -0.026 0.000 2.136 431 C HA 0.189 4.649 4.460 -0.001 0.000 0.381 431 C C 1.582 176.568 174.990 -0.006 0.000 1.039 431 C CA -0.962 58.041 59.018 -0.024 0.000 1.491 431 C CB -0.165 27.547 27.740 -0.045 0.000 1.663 431 C HN 0.345 nan 8.230 nan 0.000 0.470 432 K N 0.788 121.184 120.400 -0.006 0.000 2.283 432 K HA -0.059 4.261 4.320 -0.001 0.000 0.202 432 K C 0.556 177.169 176.600 0.021 0.000 1.048 432 K CA 1.045 57.338 56.287 0.009 0.000 0.948 432 K CB 0.102 32.602 32.500 0.001 0.000 0.742 432 K HN 0.627 nan 8.250 nan 0.000 0.458 433 D N 1.001 121.411 120.400 0.017 0.000 2.370 433 D HA 0.012 4.652 4.640 -0.001 0.000 0.230 433 D C 0.053 176.374 176.300 0.035 0.000 1.143 433 D CA -0.230 53.785 54.000 0.024 0.000 0.834 433 D CB -0.202 40.609 40.800 0.019 0.000 0.944 433 D HN -0.031 nan 8.370 nan 0.000 0.504 434 L N 2.002 123.249 121.223 0.041 0.000 2.534 434 L HA 0.022 4.362 4.340 -0.001 0.000 0.271 434 L C 1.573 178.483 176.870 0.066 0.000 1.178 434 L CA 0.399 55.274 54.840 0.060 0.000 0.907 434 L CB 0.487 42.587 42.059 0.069 0.000 1.164 434 L HN -0.004 nan 8.230 nan 0.000 0.482 435 R N 3.381 123.922 120.500 0.067 0.000 2.307 435 R HA 0.265 4.605 4.340 -0.001 0.000 0.200 435 R C 0.453 176.798 176.300 0.074 0.000 0.893 435 R CA -0.180 55.958 56.100 0.063 0.000 1.042 435 R CB 0.317 30.646 30.300 0.048 0.000 1.059 435 R HN 0.519 nan 8.270 nan 0.000 0.530 436 R N 0.834 121.387 120.500 0.088 0.000 2.538 436 R HA 0.410 4.749 4.340 -0.001 0.000 0.292 436 R C -2.080 174.297 176.300 0.128 0.000 1.008 436 R CA -0.846 55.312 56.100 0.096 0.000 0.896 436 R CB 1.771 32.117 30.300 0.077 0.000 1.187 436 R HN 0.119 nan 8.270 nan 0.000 0.440 437 L N 3.283 124.581 121.223 0.126 0.000 2.439 437 L HA 0.497 4.837 4.340 -0.001 0.000 0.270 437 L C -1.358 175.573 176.870 0.101 0.000 0.972 437 L CA -0.087 54.842 54.840 0.147 0.000 0.836 437 L CB 2.160 44.308 42.059 0.149 0.000 1.255 437 L HN 0.675 nan 8.230 nan 0.000 0.404 438 S N 5.655 121.394 115.700 0.065 0.000 2.498 438 S HA 0.859 5.328 4.470 -0.001 0.000 0.317 438 S C -0.646 173.909 174.600 -0.075 0.000 1.090 438 S CA -0.742 57.469 58.200 0.019 0.000 1.089 438 S CB 1.136 64.352 63.200 0.027 0.000 0.997 438 S HN 0.590 nan 8.310 nan 0.000 0.470 439 L N 0.454 121.555 121.223 -0.203 0.000 2.267 439 L HA 1.036 5.376 4.340 -0.001 0.000 0.264 439 L C 0.145 176.843 176.870 -0.286 0.000 1.021 439 L CA -1.151 53.373 54.840 -0.526 0.000 0.861 439 L CB 0.382 41.572 42.059 -1.449 0.000 1.443 439 L HN 0.741 nan 8.230 nan 0.000 0.475 440 S N -2.274 113.262 115.700 -0.274 0.000 2.622 440 S HA 0.671 5.140 4.470 -0.001 0.000 0.275 440 S C -0.524 174.148 174.600 0.121 0.000 1.112 440 S CA 0.190 58.391 58.200 0.003 0.000 0.837 440 S CB 0.768 64.005 63.200 0.063 0.000 1.082 440 S HN 2.151 nan 8.310 nan 0.000 0.456 441 G N 1.085 109.965 108.800 0.133 0.000 2.796 441 G HA2 -0.020 3.939 3.960 -0.001 0.000 0.571 441 G HA3 -0.020 3.939 3.960 -0.001 0.000 0.571 441 G C -0.822 174.163 174.900 0.141 0.000 1.370 441 G CA -0.310 44.881 45.100 0.152 0.000 0.856 441 G HN 1.532 nan 8.290 nan 0.000 0.538 442 L N -0.123 121.179 121.223 0.131 0.000 2.513 442 L HA 0.650 4.990 4.340 -0.001 0.000 0.272 442 L C 0.098 177.049 176.870 0.135 0.000 1.187 442 L CA 0.517 55.429 54.840 0.120 0.000 0.895 442 L CB -0.059 42.061 42.059 0.101 0.000 1.147 442 L HN 0.588 nan 8.230 nan 0.000 0.483 443 L N 4.644 125.949 121.223 0.137 0.000 2.493 443 L HA 0.508 4.847 4.340 -0.001 0.000 0.265 443 L C -0.034 176.943 176.870 0.179 0.000 0.954 443 L CA -0.558 54.360 54.840 0.130 0.000 0.844 443 L CB 2.205 44.302 42.059 0.062 0.000 1.302 443 L HN 0.724 nan 8.230 nan 0.000 0.405 444 T N -3.603 111.048 114.554 0.161 0.000 2.937 444 T HA 0.290 4.640 4.350 -0.001 0.000 0.283 444 T C 0.579 175.455 174.700 0.293 0.000 1.012 444 T CA -0.609 61.610 62.100 0.198 0.000 0.997 444 T CB 1.445 70.391 68.868 0.130 0.000 1.136 444 T HN 0.502 nan 8.240 nan 0.000 0.551 445 D N 0.003 120.584 120.400 0.302 0.000 2.239 445 D HA -0.110 4.530 4.640 -0.001 0.000 0.202 445 D C 1.779 178.245 176.300 0.276 0.000 0.993 445 D CA 1.203 55.430 54.000 0.378 0.000 0.874 445 D CB -0.207 40.736 40.800 0.238 0.000 0.922 445 D HN 0.568 nan 8.370 nan 0.000 0.464 446 K N 0.524 120.971 120.400 0.077 0.000 2.044 446 K HA -0.123 4.196 4.320 -0.001 0.000 0.210 446 K C 1.963 178.289 176.600 -0.455 0.000 1.049 446 K CA 0.633 56.798 56.287 -0.202 0.000 0.927 446 K CB -0.802 31.565 32.500 -0.221 0.000 0.713 446 K HN 0.004 nan 8.250 nan 0.000 0.443 447 V N 0.139 119.894 119.914 -0.265 0.000 2.453 447 V HA -0.242 3.877 4.120 -0.001 0.000 0.252 447 V C 1.744 177.676 176.094 -0.270 0.000 1.068 447 V CA 1.896 64.027 62.300 -0.282 0.000 1.070 447 V CB -0.391 31.265 31.823 -0.277 0.000 0.664 447 V HN 0.329 nan 8.190 nan 0.000 0.461 448 F N 0.029 119.994 119.950 0.025 0.000 2.234 448 F HA -0.037 4.490 4.527 -0.000 0.000 0.296 448 F C 2.417 178.268 175.800 0.086 0.000 1.089 448 F CA 1.632 59.691 58.000 0.099 0.000 1.343 448 F CB -0.318 38.762 39.000 0.133 0.000 1.040 448 F HN 0.164 nan 8.300 nan 0.000 0.498 449 E N -0.100 120.179 120.200 0.132 0.000 2.097 449 E HA -0.254 4.095 4.350 -0.001 0.000 0.196 449 E C 2.009 178.566 176.600 -0.072 0.000 1.000 449 E CA 1.765 58.028 56.400 -0.228 0.000 0.804 449 E CB -0.264 29.202 29.700 -0.391 0.000 0.740 449 E HN 0.566 nan 8.360 nan 0.000 0.454 450 Y N -0.099 120.241 120.300 0.068 0.000 2.184 450 Y HA -0.110 4.440 4.550 -0.001 0.000 0.290 450 Y C 2.417 178.419 175.900 0.170 0.000 1.129 450 Y CA 0.313 58.518 58.100 0.175 0.000 1.144 450 Y CB -0.029 38.556 38.460 0.208 0.000 0.995 450 Y HN 0.025 nan 8.280 nan 0.000 0.513 451 I N 0.189 120.921 120.570 0.269 0.000 2.248 451 I HA -0.311 3.859 4.170 -0.001 0.000 0.248 451 I C 2.601 178.812 176.117 0.157 0.000 1.107 451 I CA 1.649 63.070 61.300 0.202 0.000 1.373 451 I CB -0.676 37.410 38.000 0.143 0.000 1.055 451 I HN 0.291 nan 8.210 nan 0.000 0.418 452 G N -0.616 108.258 108.800 0.122 0.000 2.403 452 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.216 452 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.216 452 G C 1.739 176.622 174.900 -0.028 0.000 1.154 452 G CA 1.252 46.386 45.100 0.056 0.000 0.784 452 G HN 0.420 nan 8.290 nan 0.000 0.538 453 T N -2.497 111.998 114.554 -0.100 0.000 3.043 453 T HA 0.104 4.454 4.350 -0.001 0.000 0.263 453 T C 1.821 176.274 174.700 -0.412 0.000 1.094 453 T CA 0.785 62.704 62.100 -0.301 0.000 1.127 453 T CB -0.210 68.384 68.868 -0.457 0.000 0.905 453 T HN 0.384 nan 8.240 nan 0.000 0.490 454 Y N 0.201 120.525 120.300 0.039 0.000 2.467 454 Y HA 0.615 5.164 4.550 -0.000 0.000 0.259 454 Y C 1.898 177.810 175.900 0.020 0.000 1.084 454 Y CA -0.356 57.753 58.100 0.015 0.000 1.275 454 Y CB 0.579 39.039 38.460 0.001 0.000 1.208 454 Y HN 0.260 nan 8.280 nan 0.000 0.511 455 A N 0.516 123.445 122.820 0.182 0.000 3.168 455 A HA 0.240 4.559 4.320 -0.001 0.000 0.260 455 A C 0.922 178.557 177.584 0.085 0.000 1.598 455 A CA -0.225 51.890 52.037 0.130 0.000 1.285 455 A CB -0.336 18.743 19.000 0.131 0.000 1.149 455 A HN 0.013 nan 8.150 nan 0.000 0.630 456 K N 0.072 120.514 120.400 0.069 0.000 2.519 456 K HA -0.004 4.316 4.320 -0.001 0.000 0.196 456 K C 1.034 177.659 176.600 0.043 0.000 1.041 456 K CA 1.034 57.346 56.287 0.043 0.000 0.954 456 K CB 0.160 32.677 32.500 0.029 0.000 0.774 456 K HN 0.298 nan 8.250 nan 0.000 0.480 457 K N -0.841 119.590 120.400 0.051 0.000 2.438 457 K HA 0.239 4.559 4.320 -0.001 0.000 0.206 457 K C 0.118 176.749 176.600 0.051 0.000 1.081 457 K CA -0.088 56.226 56.287 0.044 0.000 1.053 457 K CB 0.331 32.856 32.500 0.041 0.000 0.908 457 K HN 0.112 nan 8.250 nan 0.000 0.556 458 M N 0.927 120.564 119.600 0.061 0.000 2.200 458 M HA 0.039 4.519 4.480 -0.001 0.000 0.355 458 M C 0.269 176.610 176.300 0.067 0.000 1.283 458 M CA 0.642 55.984 55.300 0.071 0.000 1.124 458 M CB 0.672 33.324 32.600 0.086 0.000 1.625 458 M HN 0.095 nan 8.290 nan 0.000 0.463 459 E N 3.401 123.641 120.200 0.067 0.000 2.206 459 E HA 0.153 4.503 4.350 -0.001 0.000 0.195 459 E C -0.119 176.526 176.600 0.075 0.000 0.935 459 E CA 0.374 56.813 56.400 0.066 0.000 0.875 459 E CB 0.688 30.422 29.700 0.056 0.000 0.841 459 E HN 0.672 nan 8.360 nan 0.000 0.477 460 M N 1.906 121.553 119.600 0.078 0.000 2.190 460 M HA 0.344 4.824 4.480 -0.001 0.000 0.312 460 M C -1.956 174.405 176.300 0.101 0.000 0.990 460 M CA -0.940 54.410 55.300 0.084 0.000 0.927 460 M CB 1.523 34.163 32.600 0.066 0.000 1.571 460 M HN -0.005 nan 8.290 nan 0.000 0.427 461 L N 4.371 125.664 121.223 0.117 0.000 2.349 461 L HA 0.630 4.970 4.340 -0.001 0.000 0.278 461 L C -1.344 175.624 176.870 0.164 0.000 0.996 461 L CA 0.234 55.156 54.840 0.138 0.000 0.825 461 L CB 2.110 44.259 42.059 0.149 0.000 1.243 461 L HN 0.656 nan 8.230 nan 0.000 0.412 462 S N 3.707 119.518 115.700 0.185 0.000 2.451 462 S HA 0.852 5.321 4.470 -0.001 0.000 0.301 462 S C -0.937 173.804 174.600 0.235 0.000 1.116 462 S CA -0.493 57.858 58.200 0.253 0.000 1.093 462 S CB 1.699 65.087 63.200 0.314 0.000 1.017 462 S HN 0.566 nan 8.310 nan 0.000 0.482 463 V N 1.955 122.047 119.914 0.297 0.000 3.012 463 V HA 0.902 5.022 4.120 -0.001 0.000 0.307 463 V C -1.486 174.740 176.094 0.220 0.000 1.166 463 V CA -0.432 62.023 62.300 0.259 0.000 0.974 463 V CB 2.148 34.188 31.823 0.361 0.000 1.040 463 V HN 1.018 nan 8.190 nan 0.000 0.428 464 A N 3.865 126.760 122.820 0.126 0.000 2.459 464 A HA 0.828 5.147 4.320 -0.001 0.000 0.296 464 A C -0.706 176.894 177.584 0.026 0.000 1.039 464 A CA -0.371 51.636 52.037 -0.049 0.000 0.698 464 A CB 0.799 19.772 19.000 -0.045 0.000 1.261 464 A HN 1.483 nan 8.150 nan 0.000 0.405 465 F N -0.744 119.220 119.950 0.023 0.000 2.985 465 F HA -0.066 4.461 4.527 -0.001 0.000 0.303 465 F C 0.687 176.502 175.800 0.025 0.000 0.976 465 F CA 1.199 59.202 58.000 0.005 0.000 1.013 465 F CB -1.262 37.745 39.000 0.012 0.000 1.060 465 F HN 1.409 nan 8.300 nan 0.000 0.780 466 A N 0.329 123.206 122.820 0.095 0.000 2.594 466 A HA 0.881 5.200 4.320 -0.001 0.000 0.295 466 A C 0.216 177.884 177.584 0.140 0.000 1.071 466 A CA -0.025 52.131 52.037 0.199 0.000 0.685 466 A CB 1.404 20.595 19.000 0.317 0.000 1.285 466 A HN 1.979 nan 8.150 nan 0.000 0.405 467 G N 0.340 109.345 108.800 0.342 0.000 2.712 467 G HA2 0.135 4.095 3.960 -0.001 0.000 0.683 467 G HA3 0.135 4.095 3.960 -0.001 0.000 0.683 467 G C -0.484 174.495 174.900 0.131 0.000 1.320 467 G CA 0.343 45.654 45.100 0.351 0.000 0.847 467 G HN 0.853 nan 8.290 nan 0.000 0.553 468 D N -0.736 119.760 120.400 0.161 0.000 2.480 468 D HA 0.330 4.970 4.640 -0.001 0.000 0.243 468 D C 1.279 177.633 176.300 0.091 0.000 1.120 468 D CA 1.398 55.458 54.000 0.099 0.000 0.835 468 D CB 0.917 41.781 40.800 0.107 0.000 1.204 468 D HN 1.235 nan 8.370 nan 0.000 0.513 469 S N -0.979 114.816 115.700 0.158 0.000 2.694 469 S HA 0.169 4.639 4.470 -0.001 0.000 0.273 469 S C -0.099 174.607 174.600 0.176 0.000 1.180 469 S CA -0.651 57.627 58.200 0.130 0.000 0.864 469 S CB 1.303 64.539 63.200 0.059 0.000 1.198 469 S HN -0.251 nan 8.310 nan 0.000 0.499 470 D N 0.479 120.914 120.400 0.060 0.000 2.178 470 D HA -0.066 4.574 4.640 -0.001 0.000 0.201 470 D C 1.903 178.086 176.300 -0.195 0.000 0.980 470 D CA 0.830 54.798 54.000 -0.052 0.000 0.842 470 D CB -0.181 40.578 40.800 -0.068 0.000 0.948 470 D HN 0.387 nan 8.370 nan 0.000 0.472 471 L N 1.081 122.209 121.223 -0.159 0.000 2.064 471 L HA -0.237 4.102 4.340 -0.001 0.000 0.216 471 L C 2.432 179.054 176.870 -0.414 0.000 1.077 471 L CA 1.974 56.656 54.840 -0.264 0.000 0.766 471 L CB -0.709 41.270 42.059 -0.134 0.000 0.890 471 L HN 0.084 nan 8.230 nan 0.000 0.435 472 G N -0.772 107.860 108.800 -0.281 0.000 2.421 472 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.216 472 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.216 472 G C 1.538 175.992 174.900 -0.743 0.000 1.171 472 G CA 0.905 45.784 45.100 -0.368 0.000 0.775 472 G HN 0.420 nan 8.290 nan 0.000 0.543 473 M N -0.438 118.437 119.600 -1.209 0.000 2.419 473 M HA 0.086 4.565 4.480 -0.001 0.000 0.264 473 M C 2.217 178.256 176.300 -0.435 0.000 1.082 473 M CA 1.413 56.076 55.300 -1.061 0.000 1.119 473 M CB -0.091 31.806 32.600 -1.172 0.000 1.398 473 M HN 0.432 nan 8.290 nan 0.000 0.453 474 H N -0.066 118.722 119.070 -0.469 0.000 2.270 474 H HA -0.196 4.359 4.556 -0.001 0.000 0.299 474 H C 1.762 176.981 175.328 -0.181 0.000 1.077 474 H CA 2.600 58.467 56.048 -0.302 0.000 1.294 474 H CB -0.339 29.233 29.762 -0.317 0.000 1.371 474 H HN 0.433 nan 8.280 nan 0.000 0.491 475 H N -0.639 118.334 119.070 -0.162 0.000 2.431 475 H HA -0.122 4.434 4.556 -0.001 0.000 0.297 475 H C 2.524 177.778 175.328 -0.124 0.000 1.115 475 H CA 1.436 57.387 56.048 -0.161 0.000 1.277 475 H CB -0.564 29.199 29.762 0.001 0.000 1.372 475 H HN 0.289 nan 8.280 nan 0.000 0.516 476 V N 0.736 120.664 119.914 0.022 0.000 2.302 476 V HA -0.169 3.951 4.120 -0.001 0.000 0.243 476 V C 2.793 178.870 176.094 -0.028 0.000 1.036 476 V CA 1.091 63.416 62.300 0.042 0.000 1.020 476 V CB -0.545 31.323 31.823 0.076 0.000 0.657 476 V HN 0.219 nan 8.190 nan 0.000 0.453 477 L N 0.794 121.964 121.223 -0.088 0.000 2.083 477 L HA -0.151 4.188 4.340 -0.001 0.000 0.209 477 L C 2.653 179.460 176.870 -0.104 0.000 1.083 477 L CA 1.944 56.738 54.840 -0.077 0.000 0.752 477 L CB -0.626 41.389 42.059 -0.074 0.000 0.899 477 L HN 0.542 nan 8.230 nan 0.000 0.433 478 S N -0.737 114.840 115.700 -0.206 0.000 2.470 478 S HA -0.020 4.450 4.470 -0.001 0.000 0.225 478 S C 1.802 176.342 174.600 -0.101 0.000 1.006 478 S CA 0.734 58.819 58.200 -0.191 0.000 0.934 478 S CB -0.015 62.972 63.200 -0.354 0.000 0.778 478 S HN 0.391 nan 8.310 nan 0.000 0.517 479 G N -0.443 108.316 108.800 -0.068 0.000 2.762 479 G HA2 0.094 4.054 3.960 -0.001 0.000 0.209 479 G HA3 0.094 4.054 3.960 -0.001 0.000 0.209 479 G C 0.440 175.333 174.900 -0.012 0.000 1.134 479 G CA 0.103 45.181 45.100 -0.037 0.000 0.781 479 G HN 0.549 nan 8.290 nan 0.000 0.528 480 C N 2.673 121.975 119.300 0.003 0.000 2.861 480 C HA 0.224 4.683 4.460 -0.001 0.000 0.542 480 C C 1.318 176.321 174.990 0.022 0.000 1.074 480 C CA -1.257 57.775 59.018 0.024 0.000 1.232 480 C CB -1.143 26.622 27.740 0.043 0.000 1.433 480 C HN 0.410 nan 8.230 nan 0.000 0.606 481 D N 1.141 121.550 120.400 0.015 0.000 2.218 481 D HA -0.140 4.500 4.640 -0.001 0.000 0.194 481 D C 1.670 177.985 176.300 0.026 0.000 1.007 481 D CA 1.759 55.768 54.000 0.015 0.000 0.879 481 D CB -0.056 40.751 40.800 0.013 0.000 0.918 481 D HN 0.511 nan 8.370 nan 0.000 0.449 482 S N -0.426 115.294 115.700 0.033 0.000 2.575 482 S HA 0.184 4.653 4.470 -0.001 0.000 0.237 482 S C 0.828 175.457 174.600 0.047 0.000 0.975 482 S CA -0.444 57.779 58.200 0.038 0.000 0.960 482 S CB 0.587 63.810 63.200 0.038 0.000 0.822 482 S HN 0.205 nan 8.310 nan 0.000 0.472 483 L N 2.318 123.570 121.223 0.048 0.000 2.540 483 L HA 0.134 4.473 4.340 -0.001 0.000 0.276 483 L C 1.291 178.198 176.870 0.062 0.000 1.212 483 L CA 0.386 55.261 54.840 0.059 0.000 0.893 483 L CB 0.555 42.647 42.059 0.056 0.000 1.138 483 L HN 0.265 nan 8.230 nan 0.000 0.491 484 R N 2.400 122.943 120.500 0.072 0.000 2.276 484 R HA 0.226 4.565 4.340 -0.001 0.000 0.195 484 R C -0.195 176.162 176.300 0.095 0.000 0.908 484 R CA 0.099 56.248 56.100 0.081 0.000 1.083 484 R CB 0.601 30.951 30.300 0.082 0.000 1.182 484 R HN 0.458 nan 8.270 nan 0.000 0.608 485 K N 1.243 121.701 120.400 0.097 0.000 2.541 485 K HA 0.309 4.629 4.320 -0.001 0.000 0.250 485 K C -1.858 174.806 176.600 0.107 0.000 0.950 485 K CA -0.672 55.682 56.287 0.112 0.000 0.805 485 K CB 2.344 34.909 32.500 0.107 0.000 1.166 485 K HN -0.194 nan 8.250 nan 0.000 0.430 486 L N 3.750 125.044 121.223 0.118 0.000 2.333 486 L HA 0.404 4.744 4.340 -0.001 0.000 0.280 486 L C -1.127 175.815 176.870 0.119 0.000 1.004 486 L CA -0.169 54.742 54.840 0.119 0.000 0.820 486 L CB 1.226 43.350 42.059 0.108 0.000 1.247 486 L HN 0.679 nan 8.230 nan 0.000 0.416 487 E N 5.800 126.046 120.200 0.076 0.000 2.274 487 E HA 0.608 4.958 4.350 -0.001 0.000 0.269 487 E C -1.473 175.184 176.600 0.094 0.000 0.891 487 E CA -0.656 55.698 56.400 -0.077 0.000 0.784 487 E CB 1.878 31.188 29.700 -0.651 0.000 1.225 487 E HN 0.535 nan 8.360 nan 0.000 0.412 488 I N 2.839 123.590 120.570 0.302 0.000 2.548 488 I HA 0.381 4.551 4.170 -0.001 0.000 0.287 488 I C -0.840 175.546 176.117 0.449 0.000 1.103 488 I CA -0.929 60.588 61.300 0.363 0.000 1.049 488 I CB 2.008 40.189 38.000 0.303 0.000 1.232 488 I HN 0.591 nan 8.210 nan 0.000 0.429 489 R N 4.511 125.219 120.500 0.346 0.000 2.562 489 R HA 0.536 4.876 4.340 -0.001 0.000 0.298 489 R C -0.684 175.495 176.300 -0.202 0.000 0.961 489 R CA -0.510 55.671 56.100 0.134 0.000 0.881 489 R CB 1.133 31.518 30.300 0.142 0.000 1.159 489 R HN 0.565 nan 8.270 nan 0.000 0.450 490 D N 1.193 121.458 120.400 -0.226 0.000 2.705 490 D HA -0.164 4.475 4.640 -0.001 0.000 0.240 490 D C -0.952 175.150 176.300 -0.331 0.000 1.137 490 D CA 0.856 54.639 54.000 -0.363 0.000 0.677 490 D CB -0.866 39.417 40.800 -0.862 0.000 1.049 490 D HN 0.537 nan 8.370 nan 0.000 0.427 491 C N 0.219 119.328 119.300 -0.319 0.000 2.802 491 C HA 0.406 4.866 4.460 -0.001 0.000 0.307 491 C C -1.975 172.693 174.990 -0.537 0.000 1.222 491 C CA -1.198 57.481 59.018 -0.564 0.000 1.580 491 C CB 2.122 29.248 27.740 -1.023 0.000 2.119 491 C HN 0.103 nan 8.230 nan 0.000 0.479 492 P HA 0.219 nan 4.420 nan 0.000 0.218 492 P C -0.877 176.391 177.300 -0.053 0.000 1.793 492 P CA 0.557 63.518 63.100 -0.233 0.000 0.941 492 P CB -0.638 30.997 31.700 -0.108 0.000 1.919 493 F N 0.128 120.030 119.950 -0.080 0.000 2.469 493 F HA 0.670 5.197 4.527 -0.001 0.000 0.332 493 F C 1.259 177.019 175.800 -0.066 0.000 1.103 493 F CA -0.834 57.108 58.000 -0.097 0.000 0.979 493 F CB 2.599 41.523 39.000 -0.126 0.000 1.137 493 F HN 0.110 nan 8.300 nan 0.000 0.463 494 G N 1.458 110.334 108.800 0.126 0.000 3.400 494 G HA2 0.088 4.047 3.960 -0.001 0.000 0.167 494 G HA3 0.088 4.047 3.960 -0.001 0.000 0.167 494 G C -0.421 174.486 174.900 0.011 0.000 1.196 494 G CA -0.068 45.061 45.100 0.049 0.000 1.174 494 G HN 0.414 nan 8.290 nan 0.000 0.681 495 D N 0.088 120.484 120.400 -0.007 0.000 2.201 495 D HA 0.115 4.755 4.640 -0.001 0.000 0.209 495 D C 2.333 178.610 176.300 -0.039 0.000 0.961 495 D CA 0.750 54.735 54.000 -0.025 0.000 0.861 495 D CB 0.189 40.972 40.800 -0.029 0.000 0.997 495 D HN 0.280 nan 8.370 nan 0.000 0.486 496 K N 0.702 121.074 120.400 -0.046 0.000 2.057 496 K HA 0.009 4.328 4.320 -0.001 0.000 0.207 496 K C 2.013 178.564 176.600 -0.083 0.000 1.049 496 K CA 1.175 57.421 56.287 -0.069 0.000 0.931 496 K CB -0.034 32.420 32.500 -0.077 0.000 0.714 496 K HN 0.011 nan 8.250 nan 0.000 0.440 497 A N 1.100 123.870 122.820 -0.083 0.000 2.014 497 A HA -0.078 4.241 4.320 -0.001 0.000 0.218 497 A C 2.028 179.585 177.584 -0.045 0.000 1.163 497 A CA 0.803 52.793 52.037 -0.080 0.000 0.652 497 A CB -0.257 18.658 19.000 -0.141 0.000 0.808 497 A HN 0.210 nan 8.150 nan 0.000 0.449 498 L N -0.505 120.691 121.223 -0.046 0.000 2.049 498 L HA 0.082 4.421 4.340 -0.001 0.000 0.203 498 L C 2.116 178.966 176.870 -0.033 0.000 1.074 498 L CA 1.570 56.388 54.840 -0.037 0.000 0.749 498 L CB -0.486 41.553 42.059 -0.033 0.000 0.907 498 L HN 0.325 nan 8.230 nan 0.000 0.439 499 L N -0.174 121.025 121.223 -0.038 0.000 2.275 499 L HA -0.071 4.268 4.340 -0.001 0.000 0.215 499 L C 2.402 179.256 176.870 -0.028 0.000 1.119 499 L CA 0.882 55.699 54.840 -0.038 0.000 0.790 499 L CB -0.725 41.306 42.059 -0.046 0.000 0.919 499 L HN 0.382 nan 8.230 nan 0.000 0.443 500 A N -0.557 122.250 122.820 -0.022 0.000 2.208 500 A HA -0.005 4.315 4.320 -0.001 0.000 0.209 500 A C 0.883 178.485 177.584 0.030 0.000 1.161 500 A CA 0.718 52.751 52.037 -0.007 0.000 0.782 500 A CB -0.317 18.663 19.000 -0.033 0.000 0.816 500 A HN 0.486 nan 8.150 nan 0.000 0.477 501 N N -1.350 117.362 118.700 0.021 0.000 2.536 501 N HA 0.395 5.135 4.740 -0.001 0.000 0.286 501 N C 0.899 176.407 175.510 -0.003 0.000 1.577 501 N CA 0.458 53.519 53.050 0.019 0.000 0.883 501 N CB 0.903 39.400 38.487 0.018 0.000 1.390 501 N HN 0.224 nan 8.380 nan 0.000 0.491 502 A N 0.487 123.300 122.820 -0.011 0.000 1.883 502 A HA -0.220 4.100 4.320 -0.001 0.000 0.217 502 A C 2.265 179.839 177.584 -0.016 0.000 1.186 502 A CA 2.257 54.282 52.037 -0.021 0.000 0.624 502 A CB -0.768 18.216 19.000 -0.027 0.000 0.822 502 A HN 0.427 nan 8.150 nan 0.000 0.444 503 S N -0.819 114.874 115.700 -0.011 0.000 2.447 503 S HA -0.138 4.331 4.470 -0.001 0.000 0.233 503 S C 1.894 176.492 174.600 -0.002 0.000 1.006 503 S CA 1.350 59.545 58.200 -0.007 0.000 0.957 503 S CB -0.299 62.898 63.200 -0.005 0.000 0.773 503 S HN 0.419 nan 8.310 nan 0.000 0.507 504 K N 1.177 121.576 120.400 -0.002 0.000 2.228 504 K HA -0.049 4.271 4.320 -0.001 0.000 0.205 504 K C 1.857 178.462 176.600 0.007 0.000 1.045 504 K CA 1.330 57.618 56.287 0.001 0.000 0.931 504 K CB -0.556 31.941 32.500 -0.004 0.000 0.727 504 K HN 0.529 nan 8.250 nan 0.000 0.458 505 L N 0.026 121.249 121.223 0.001 0.000 2.179 505 L HA -0.092 4.247 4.340 -0.001 0.000 0.208 505 L C 2.022 178.898 176.870 0.010 0.000 1.096 505 L CA 0.645 55.487 54.840 0.002 0.000 0.779 505 L CB -0.316 41.733 42.059 -0.015 0.000 0.922 505 L HN 0.174 nan 8.230 nan 0.000 0.443 506 E N -0.203 120.001 120.200 0.006 0.000 2.279 506 E HA -0.295 4.054 4.350 -0.001 0.000 0.205 506 E C 1.646 178.265 176.600 0.032 0.000 1.028 506 E CA 1.894 58.305 56.400 0.018 0.000 0.830 506 E CB -0.063 29.644 29.700 0.011 0.000 0.736 506 E HN 0.559 nan 8.360 nan 0.000 0.478 507 T N -2.946 111.628 114.554 0.032 0.000 3.092 507 T HA 0.289 4.639 4.350 -0.001 0.000 0.258 507 T C 0.456 175.186 174.700 0.050 0.000 1.031 507 T CA -0.277 61.846 62.100 0.039 0.000 0.925 507 T CB 0.213 69.100 68.868 0.031 0.000 1.036 507 T HN -0.127 nan 8.240 nan 0.000 0.544 508 M N 0.775 120.408 119.600 0.055 0.000 2.602 508 M HA 0.517 4.996 4.480 -0.001 0.000 0.312 508 M C 1.335 177.688 176.300 0.088 0.000 1.181 508 M CA -1.103 54.239 55.300 0.070 0.000 0.910 508 M CB 2.743 35.381 32.600 0.064 0.000 1.723 508 M HN -0.126 nan 8.290 nan 0.000 0.459 509 R N 1.173 121.736 120.500 0.106 0.000 2.082 509 R HA -0.077 4.263 4.340 -0.001 0.000 0.234 509 R C -0.099 176.285 176.300 0.139 0.000 1.136 509 R CA 1.934 58.110 56.100 0.126 0.000 0.935 509 R CB 0.218 30.599 30.300 0.135 0.000 0.842 509 R HN 0.831 nan 8.270 nan 0.000 0.430 510 S N -1.265 114.522 115.700 0.145 0.000 2.587 510 S HA 0.415 4.885 4.470 -0.001 0.000 0.269 510 S C -1.592 173.104 174.600 0.161 0.000 1.154 510 S CA -1.191 57.091 58.200 0.136 0.000 0.824 510 S CB 1.620 64.959 63.200 0.233 0.000 1.118 510 S HN 0.138 nan 8.310 nan 0.000 0.462 511 L N 2.310 123.619 121.223 0.142 0.000 2.343 511 L HA 0.616 4.956 4.340 -0.001 0.000 0.278 511 L C -1.150 175.905 176.870 0.308 0.000 0.996 511 L CA -0.598 54.343 54.840 0.169 0.000 0.831 511 L CB 1.146 43.249 42.059 0.074 0.000 1.232 511 L HN 0.926 nan 8.230 nan 0.000 0.413 512 W N 8.096 129.500 121.300 0.174 0.000 2.390 512 W HA 0.536 5.196 4.660 -0.000 0.000 0.312 512 W C -1.714 174.857 176.519 0.087 0.000 1.123 512 W CA -0.850 56.601 57.345 0.177 0.000 1.202 512 W CB 1.618 31.042 29.460 -0.060 0.000 1.251 512 W HN 0.528 nan 8.180 nan 0.000 0.511 513 M N 6.528 125.895 119.600 -0.389 0.000 2.067 513 M HA 0.126 4.606 4.480 -0.001 0.000 0.286 513 M C -0.386 175.736 176.300 -0.297 0.000 0.922 513 M CA -0.329 54.879 55.300 -0.152 0.000 0.937 513 M CB 2.014 34.588 32.600 -0.044 0.000 1.550 513 M HN 0.353 nan 8.290 nan 0.000 0.433 514 S N 0.892 116.612 115.700 0.034 0.000 2.500 514 S HA 0.650 5.120 4.470 -0.001 0.000 0.301 514 S C 0.163 174.822 174.600 0.098 0.000 1.092 514 S CA -0.603 57.665 58.200 0.114 0.000 1.030 514 S CB 1.724 65.220 63.200 0.493 0.000 1.031 514 S HN 0.731 nan 8.310 nan 0.000 0.483 515 S N 0.469 116.197 115.700 0.046 0.000 3.706 515 S HA -0.140 4.329 4.470 -0.001 0.000 0.363 515 S C 0.394 174.983 174.600 -0.018 0.000 0.999 515 S CA 0.667 58.877 58.200 0.016 0.000 1.143 515 S CB -2.455 60.752 63.200 0.012 0.000 0.902 515 S HN 0.855 nan 8.310 nan 0.000 0.476 516 C N 0.097 119.389 119.300 -0.013 0.000 2.880 516 C HA 0.663 5.123 4.460 -0.001 0.000 0.387 516 C C 1.652 176.636 174.990 -0.010 0.000 2.619 516 C CA -0.571 58.431 59.018 -0.026 0.000 1.790 516 C CB 1.544 29.285 27.740 0.002 0.000 2.560 516 C HN 0.511 nan 8.230 nan 0.000 0.452 517 S N 0.423 116.124 115.700 0.003 0.000 2.526 517 S HA 0.233 4.702 4.470 -0.001 0.000 0.245 517 S C -0.376 174.234 174.600 0.016 0.000 1.103 517 S CA -0.059 58.146 58.200 0.009 0.000 1.095 517 S CB -0.138 63.068 63.200 0.011 0.000 0.826 517 S HN 0.436 nan 8.310 nan 0.000 0.468 518 V N 3.586 123.509 119.914 0.015 0.000 2.408 518 V HA 0.244 4.364 4.120 -0.001 0.000 0.267 518 V C 0.692 176.800 176.094 0.022 0.000 1.047 518 V CA -0.769 61.538 62.300 0.012 0.000 0.937 518 V CB 0.696 32.521 31.823 0.004 0.000 0.999 518 V HN 0.618 nan 8.190 nan 0.000 0.472 519 S N 4.604 120.315 115.700 0.018 0.000 2.562 519 S HA 0.112 4.581 4.470 -0.001 0.000 0.281 519 S C 0.865 175.508 174.600 0.073 0.000 1.333 519 S CA -0.345 57.880 58.200 0.042 0.000 1.052 519 S CB 0.298 63.508 63.200 0.017 0.000 0.884 519 S HN 0.667 nan 8.310 nan 0.000 0.506 520 F N 3.522 123.443 119.950 -0.048 0.000 2.184 520 F HA -0.074 4.452 4.527 -0.001 0.000 0.301 520 F C 2.043 177.811 175.800 -0.054 0.000 1.076 520 F CA 1.823 59.788 58.000 -0.059 0.000 1.295 520 F CB -1.042 37.907 39.000 -0.085 0.000 1.026 520 F HN 0.757 nan 8.300 nan 0.000 0.494 521 G N -0.358 108.322 108.800 -0.200 0.000 2.440 521 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.218 521 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.218 521 G C 1.829 176.577 174.900 -0.254 0.000 1.154 521 G CA 0.949 45.875 45.100 -0.290 0.000 0.767 521 G HN 0.651 nan 8.290 nan 0.000 0.552 522 A N -0.084 122.646 122.820 -0.150 0.000 1.929 522 A HA -0.009 4.311 4.320 -0.001 0.000 0.216 522 A C 2.545 180.049 177.584 -0.134 0.000 1.176 522 A CA 1.636 53.601 52.037 -0.119 0.000 0.628 522 A CB -0.935 18.023 19.000 -0.070 0.000 0.816 522 A HN 0.416 nan 8.150 nan 0.000 0.444 523 C N -0.186 119.037 119.300 -0.129 0.000 2.403 523 C HA -0.133 4.326 4.460 -0.001 0.000 0.277 523 C C 2.714 177.591 174.990 -0.190 0.000 1.248 523 C CA 1.359 60.309 59.018 -0.113 0.000 1.762 523 C CB -0.983 26.743 27.740 -0.024 0.000 2.014 523 C HN 0.564 nan 8.230 nan 0.000 0.486 524 K N 0.147 120.336 120.400 -0.352 0.000 2.007 524 K HA -0.038 4.281 4.320 -0.001 0.000 0.206 524 K C 2.127 178.607 176.600 -0.200 0.000 1.047 524 K CA 0.905 56.988 56.287 -0.339 0.000 0.937 524 K CB -0.453 31.740 32.500 -0.511 0.000 0.718 524 K HN 0.452 nan 8.250 nan 0.000 0.438 525 L N 1.144 122.260 121.223 -0.178 0.000 2.017 525 L HA -0.206 4.133 4.340 -0.001 0.000 0.208 525 L C 2.525 179.337 176.870 -0.098 0.000 1.073 525 L CA 0.965 55.732 54.840 -0.121 0.000 0.745 525 L CB -0.384 41.612 42.059 -0.105 0.000 0.894 525 L HN 0.181 nan 8.230 nan 0.000 0.432 526 L N 0.419 121.583 121.223 -0.098 0.000 2.013 526 L HA -0.167 4.173 4.340 -0.001 0.000 0.212 526 L C 2.399 179.220 176.870 -0.081 0.000 1.073 526 L CA 2.283 57.074 54.840 -0.081 0.000 0.753 526 L CB -1.262 40.750 42.059 -0.078 0.000 0.890 526 L HN 0.239 nan 8.230 nan 0.000 0.432 527 G N -1.551 107.195 108.800 -0.090 0.000 2.503 527 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.221 527 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.221 527 G C 1.565 176.422 174.900 -0.072 0.000 1.131 527 G CA 0.901 45.951 45.100 -0.083 0.000 0.756 527 G HN 0.470 nan 8.290 nan 0.000 0.572 528 Q N -0.239 119.518 119.800 -0.072 0.000 2.204 528 Q HA 0.093 4.432 4.340 -0.001 0.000 0.198 528 Q C 2.480 178.449 176.000 -0.052 0.000 0.946 528 Q CA 0.801 56.569 55.803 -0.060 0.000 0.859 528 Q CB -0.091 28.610 28.738 -0.062 0.000 0.946 528 Q HN 0.578 nan 8.270 nan 0.000 0.474 529 K N -0.397 119.970 120.400 -0.055 0.000 2.057 529 K HA -0.040 4.279 4.320 -0.001 0.000 0.207 529 K C 0.531 177.105 176.600 -0.043 0.000 1.049 529 K CA 0.881 57.140 56.287 -0.046 0.000 0.931 529 K CB 0.271 32.745 32.500 -0.045 0.000 0.714 529 K HN 0.075 nan 8.250 nan 0.000 0.440 530 M N 1.611 121.180 119.600 -0.051 0.000 2.854 530 M HA 0.178 4.658 4.480 -0.001 0.000 0.203 530 M C -2.209 174.057 176.300 -0.057 0.000 1.069 530 M CA -1.714 53.556 55.300 -0.050 0.000 0.803 530 M CB 1.148 33.715 32.600 -0.055 0.000 1.380 530 M HN -0.085 nan 8.290 nan 0.000 0.494 531 P HA -0.145 nan 4.420 nan 0.000 0.222 531 P C 0.671 177.941 177.300 -0.050 0.000 1.142 531 P CA 1.243 64.314 63.100 -0.049 0.000 0.788 531 P CB 0.157 31.836 31.700 -0.035 0.000 0.767 532 K N -0.689 119.685 120.400 -0.042 0.000 2.387 532 K HA 0.213 4.533 4.320 -0.001 0.000 0.198 532 K C 0.690 177.260 176.600 -0.050 0.000 1.022 532 K CA -0.069 56.199 56.287 -0.032 0.000 1.128 532 K CB 0.260 32.755 32.500 -0.008 0.000 0.853 532 K HN 0.287 nan 8.250 nan 0.000 0.523 533 L N 2.016 123.186 121.223 -0.089 0.000 2.307 533 L HA 0.224 4.564 4.340 -0.001 0.000 0.282 533 L C -0.086 176.650 176.870 -0.224 0.000 1.051 533 L CA -0.874 53.868 54.840 -0.163 0.000 0.804 533 L CB 0.627 42.596 42.059 -0.151 0.000 1.197 533 L HN -0.056 nan 8.230 nan 0.000 0.431 534 N N 2.489 120.957 118.700 -0.386 0.000 2.406 534 N HA 0.073 4.813 4.740 -0.001 0.000 0.274 534 N C -0.553 174.636 175.510 -0.536 0.000 1.249 534 N CA 0.036 52.772 53.050 -0.524 0.000 0.951 534 N CB 0.872 38.864 38.487 -0.826 0.000 1.241 534 N HN 0.241 nan 8.380 nan 0.000 0.485 535 V N 3.193 122.941 119.914 -0.277 0.000 2.304 535 V HA 0.118 4.237 4.120 -0.001 0.000 0.262 535 V C 0.405 176.461 176.094 -0.063 0.000 1.061 535 V CA -0.477 61.720 62.300 -0.172 0.000 0.872 535 V CB 0.018 31.775 31.823 -0.110 0.000 1.077 535 V HN 0.455 nan 8.190 nan 0.000 0.480 536 E N 3.666 123.866 120.200 0.001 0.000 2.081 536 E HA 0.360 4.710 4.350 -0.001 0.000 0.276 536 E C -0.742 175.988 176.600 0.217 0.000 0.950 536 E CA -0.497 55.995 56.400 0.154 0.000 0.776 536 E CB 2.207 32.095 29.700 0.313 0.000 1.094 536 E HN 0.390 nan 8.360 nan 0.000 0.402 537 V N 5.433 125.494 119.914 0.246 0.000 2.530 537 V HA 0.212 4.332 4.120 -0.001 0.000 0.282 537 V C 0.217 176.540 176.094 0.381 0.000 1.048 537 V CA 0.113 62.576 62.300 0.271 0.000 0.997 537 V CB 0.485 32.492 31.823 0.307 0.000 0.987 537 V HN 0.601 nan 8.190 nan 0.000 0.477 538 I N 4.779 125.544 120.570 0.325 0.000 2.560 538 I HA 0.424 4.593 4.170 -0.001 0.000 0.278 538 I C -1.072 175.260 176.117 0.358 0.000 1.089 538 I CA -0.129 61.429 61.300 0.430 0.000 1.086 538 I CB 1.533 39.767 38.000 0.390 0.000 1.202 538 I HN 0.528 nan 8.210 nan 0.000 0.471 539 D N 5.632 126.304 120.400 0.455 0.000 2.470 539 D HA 0.149 4.789 4.640 -0.001 0.000 0.233 539 D C 0.140 176.621 176.300 0.301 0.000 1.372 539 D CA -0.243 53.928 54.000 0.285 0.000 0.994 539 D CB 1.593 42.506 40.800 0.190 0.000 1.377 539 D HN 0.510 nan 8.370 nan 0.000 0.586 540 E N 1.608 121.893 120.200 0.142 0.000 2.463 540 E HA 0.021 4.370 4.350 -0.001 0.000 0.191 540 E C 0.789 177.455 176.600 0.110 0.000 1.083 540 E CA 0.184 56.648 56.400 0.106 0.000 0.872 540 E CB 0.424 30.093 29.700 -0.051 0.000 0.966 540 E HN 0.143 nan 8.360 nan 0.000 0.491 541 R N 0.423 120.980 120.500 0.095 0.000 2.356 541 R HA 0.146 4.486 4.340 -0.001 0.000 0.234 541 R C 0.604 176.932 176.300 0.047 0.000 0.929 541 R CA 0.346 56.473 56.100 0.046 0.000 1.084 541 R CB 0.566 30.864 30.300 -0.003 0.000 1.105 541 R HN 0.209 nan 8.270 nan 0.000 0.515 542 G N 0.093 108.976 108.800 0.137 0.000 2.698 542 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.225 542 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.225 542 G C -0.470 174.385 174.900 -0.075 0.000 1.345 542 G CA -0.763 44.417 45.100 0.132 0.000 0.871 542 G HN 0.376 nan 8.290 nan 0.000 0.540 543 A N 0.583 123.338 122.820 -0.108 0.000 2.546 543 A HA 0.549 4.869 4.320 -0.001 0.000 0.243 543 A C -0.263 176.942 177.584 -0.631 0.000 1.063 543 A CA 0.560 52.352 52.037 -0.410 0.000 0.757 543 A CB 0.060 18.951 19.000 -0.181 0.000 0.991 543 A HN 0.590 nan 8.150 nan 0.000 0.503 544 P HA -0.112 nan 4.420 nan 0.000 0.225 544 P C 0.426 177.197 177.300 -0.882 0.000 1.148 544 P CA 1.096 63.546 63.100 -1.083 0.000 0.779 544 P CB 0.119 30.786 31.700 -1.721 0.000 0.780 545 D N -0.973 119.070 120.400 -0.595 0.000 2.310 545 D HA -0.058 4.582 4.640 -0.001 0.000 0.212 545 D C 1.700 177.888 176.300 -0.186 0.000 0.965 545 D CA 0.785 54.629 54.000 -0.260 0.000 0.879 545 D CB -0.526 40.194 40.800 -0.133 0.000 0.921 545 D HN 0.134 nan 8.370 nan 0.000 0.510 546 S N 0.105 115.674 115.700 -0.219 0.000 2.440 546 S HA -0.069 4.401 4.470 -0.001 0.000 0.238 546 S C 1.020 175.551 174.600 -0.115 0.000 1.010 546 S CA 0.823 58.941 58.200 -0.137 0.000 0.972 546 S CB 0.266 63.384 63.200 -0.136 0.000 0.774 546 S HN 0.278 nan 8.310 nan 0.000 0.501 547 R N 0.419 120.828 120.500 -0.150 0.000 2.873 547 R HA 0.462 4.801 4.340 -0.001 0.000 0.264 547 R C -3.036 173.225 176.300 -0.064 0.000 1.026 547 R CA -2.361 53.680 56.100 -0.099 0.000 1.002 547 R CB 0.364 30.595 30.300 -0.114 0.000 1.174 547 R HN -0.029 nan 8.270 nan 0.000 0.488 548 P HA 0.015 nan 4.420 nan 0.000 0.272 548 P C -0.038 177.309 177.300 0.078 0.000 1.223 548 P CA -0.095 63.018 63.100 0.021 0.000 0.784 548 P CB 0.644 32.351 31.700 0.012 0.000 0.923 549 E N 0.925 121.191 120.200 0.110 0.000 2.273 549 E HA -0.187 4.162 4.350 -0.001 0.000 0.198 549 E C 1.166 177.838 176.600 0.119 0.000 1.002 549 E CA 1.575 58.078 56.400 0.172 0.000 0.828 549 E CB -0.197 29.537 29.700 0.056 0.000 0.747 549 E HN 0.452 nan 8.360 nan 0.000 0.491 550 S N -1.113 114.626 115.700 0.065 0.000 2.593 550 S HA 0.026 4.496 4.470 -0.001 0.000 0.217 550 S C 0.764 175.387 174.600 0.038 0.000 0.966 550 S CA -0.148 58.074 58.200 0.037 0.000 0.914 550 S CB -0.274 62.936 63.200 0.016 0.000 0.776 550 S HN 0.353 nan 8.310 nan 0.000 0.523 551 C N 3.340 122.670 119.300 0.050 0.000 2.350 551 C HA 0.701 5.161 4.460 -0.001 0.000 0.348 551 C C -2.884 172.129 174.990 0.038 0.000 1.260 551 C CA -2.455 56.579 59.018 0.027 0.000 1.966 551 C CB 0.401 28.144 27.740 0.005 0.000 2.380 551 C HN 0.222 nan 8.230 nan 0.000 0.535 552 P HA 0.195 nan 4.420 nan 0.000 0.271 552 P C -0.127 177.188 177.300 0.025 0.000 1.216 552 P CA 0.051 63.168 63.100 0.028 0.000 0.771 552 P CB 0.415 32.125 31.700 0.016 0.000 0.864 553 V N 0.898 120.835 119.914 0.039 0.000 3.133 553 V HA 0.143 4.263 4.120 -0.001 0.000 0.305 553 V C 1.290 177.396 176.094 0.020 0.000 1.084 553 V CA 0.038 62.356 62.300 0.031 0.000 1.089 553 V CB 0.240 32.100 31.823 0.063 0.000 1.073 553 V HN 0.521 nan 8.190 nan 0.000 0.477 554 E N 1.656 121.873 120.200 0.028 0.000 2.072 554 E HA 0.006 4.355 4.350 -0.001 0.000 0.191 554 E C 0.159 176.764 176.600 0.008 0.000 0.985 554 E CA 1.183 57.603 56.400 0.034 0.000 0.801 554 E CB 0.063 29.798 29.700 0.058 0.000 0.750 554 E HN 0.764 nan 8.360 nan 0.000 0.452 555 R N 0.103 120.586 120.500 -0.028 0.000 2.604 555 R HA 0.436 4.775 4.340 -0.001 0.000 0.270 555 R C -1.090 175.096 176.300 -0.191 0.000 1.052 555 R CA -0.632 55.342 56.100 -0.210 0.000 0.902 555 R CB 1.458 31.546 30.300 -0.354 0.000 1.233 555 R HN -0.153 nan 8.270 nan 0.000 0.455 556 V N 0.376 120.123 119.914 -0.278 0.000 2.513 556 V HA 0.625 4.744 4.120 -0.001 0.000 0.299 556 V C -0.710 175.233 176.094 -0.251 0.000 1.035 556 V CA -0.948 61.249 62.300 -0.172 0.000 0.889 556 V CB 1.423 33.191 31.823 -0.091 0.000 0.988 556 V HN 0.673 nan 8.190 nan 0.000 0.440 557 F N 5.356 125.171 119.950 -0.225 0.000 2.493 557 F HA 0.824 5.351 4.527 -0.000 0.000 0.329 557 F C -0.750 175.114 175.800 0.105 0.000 1.126 557 F CA -1.733 56.255 58.000 -0.020 0.000 0.937 557 F CB 1.364 40.484 39.000 0.200 0.000 1.146 557 F HN 0.432 nan 8.300 nan 0.000 0.442 558 I N 7.509 127.904 120.570 -0.292 0.000 2.533 558 I HA 0.403 4.573 4.170 -0.001 0.000 0.290 558 I C -1.633 174.278 176.117 -0.343 0.000 1.056 558 I CA -0.925 60.177 61.300 -0.329 0.000 1.057 558 I CB 2.095 40.005 38.000 -0.150 0.000 1.240 558 I HN 0.560 nan 8.210 nan 0.000 0.423 559 Y N 4.066 124.181 120.300 -0.309 0.000 2.436 559 Y HA 0.561 5.110 4.550 -0.000 0.000 0.327 559 Y C -0.838 175.008 175.900 -0.090 0.000 1.138 559 Y CA -1.547 56.419 58.100 -0.224 0.000 1.042 559 Y CB 0.782 39.059 38.460 -0.304 0.000 1.302 559 Y HN 0.606 nan 8.280 nan 0.000 0.439 560 R N 1.303 121.878 120.500 0.125 0.000 2.594 560 R HA 0.709 5.048 4.340 -0.001 0.000 0.272 560 R C -0.651 175.763 176.300 0.190 0.000 1.074 560 R CA -0.159 55.990 56.100 0.082 0.000 1.105 560 R CB 1.474 31.819 30.300 0.075 0.000 1.008 560 R HN 0.882 nan 8.270 nan 0.000 0.472 561 T N -0.056 114.581 114.554 0.139 0.000 2.853 561 T HA 0.243 4.593 4.350 -0.001 0.000 0.311 561 T C 0.393 175.167 174.700 0.124 0.000 1.307 561 T CA -0.485 61.732 62.100 0.195 0.000 1.019 561 T CB 1.741 70.795 68.868 0.310 0.000 1.264 561 T HN 0.555 nan 8.240 nan 0.000 0.497 562 V N 1.181 121.172 119.914 0.128 0.000 3.590 562 V HA 0.554 4.674 4.120 -0.001 0.000 0.265 562 V C 1.969 178.115 176.094 0.085 0.000 1.239 562 V CA 1.168 63.523 62.300 0.092 0.000 1.117 562 V CB -0.499 31.372 31.823 0.081 0.000 0.818 562 V HN 0.870 nan 8.190 nan 0.000 0.451 563 A N 0.263 123.151 122.820 0.114 0.000 2.275 563 A HA 0.606 4.926 4.320 -0.001 0.000 0.212 563 A C 1.572 179.196 177.584 0.067 0.000 1.201 563 A CA 0.836 52.939 52.037 0.109 0.000 0.843 563 A CB -0.915 18.179 19.000 0.157 0.000 0.873 563 A HN 1.690 nan 8.150 nan 0.000 0.492 564 G N -0.451 108.373 108.800 0.039 0.000 2.796 564 G HA2 -0.130 3.830 3.960 -0.001 0.000 0.226 564 G HA3 -0.130 3.830 3.960 -0.001 0.000 0.226 564 G C -2.806 172.045 174.900 -0.082 0.000 1.381 564 G CA -0.474 44.610 45.100 -0.026 0.000 0.867 564 G HN 0.283 nan 8.290 nan 0.000 0.552 565 P HA 0.216 nan 4.420 nan 0.000 0.265 565 P C 0.469 177.497 177.300 -0.454 0.000 1.187 565 P CA 0.372 63.312 63.100 -0.267 0.000 0.766 565 P CB 0.287 31.825 31.700 -0.271 0.000 0.820 566 R N 2.011 122.274 120.500 -0.395 0.000 2.543 566 R HA 0.365 4.705 4.340 -0.001 0.000 0.268 566 R C -0.229 175.733 176.300 -0.564 0.000 1.067 566 R CA -0.270 55.577 56.100 -0.423 0.000 1.142 566 R CB 0.108 30.175 30.300 -0.388 0.000 1.110 566 R HN 0.253 nan 8.270 nan 0.000 0.549 567 F N -0.363 119.545 119.950 -0.070 0.000 2.695 567 F HA 0.121 4.647 4.527 -0.001 0.000 0.303 567 F C 0.543 176.285 175.800 -0.096 0.000 1.091 567 F CA -0.245 57.710 58.000 -0.075 0.000 1.300 567 F CB 0.361 39.331 39.000 -0.050 0.000 1.071 567 F HN 0.652 nan 8.300 nan 0.000 0.578 568 D N -0.976 119.425 120.400 0.002 0.000 2.535 568 D HA 0.099 4.738 4.640 -0.001 0.000 0.229 568 D C 0.328 176.538 176.300 -0.150 0.000 1.238 568 D CA -0.096 53.898 54.000 -0.009 0.000 0.824 568 D CB -0.561 40.321 40.800 0.136 0.000 1.045 568 D HN 0.088 nan 8.370 nan 0.000 0.500 569 M N 1.807 121.241 119.600 -0.277 0.000 2.240 569 M HA 0.104 4.584 4.480 -0.001 0.000 0.346 569 M C -1.877 174.198 176.300 -0.376 0.000 1.236 569 M CA -0.213 54.856 55.300 -0.384 0.000 0.986 569 M CB 0.343 32.716 32.600 -0.378 0.000 1.786 569 M HN 0.034 nan 8.290 nan 0.000 0.457 570 P HA 0.266 nan 4.420 nan 0.000 0.314 570 P C 0.454 177.380 177.300 -0.624 0.000 1.306 570 P CA -0.399 62.399 63.100 -0.502 0.000 0.782 570 P CB 0.368 31.705 31.700 -0.606 0.000 1.337 571 G N -0.237 108.305 108.800 -0.431 0.000 2.462 571 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.220 571 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.220 571 G C 0.806 175.380 174.900 -0.542 0.000 1.121 571 G CA 0.662 45.553 45.100 -0.348 0.000 0.758 571 G HN 0.577 nan 8.290 nan 0.000 0.559 572 F N -0.532 119.212 119.950 -0.342 0.000 2.708 572 F HA 0.684 5.211 4.527 -0.001 0.000 0.300 572 F C -0.524 175.174 175.800 -0.170 0.000 1.118 572 F CA -1.692 56.186 58.000 -0.203 0.000 1.307 572 F CB 0.015 39.064 39.000 0.080 0.000 0.986 572 F HN -0.153 nan 8.300 nan 0.000 0.522 573 V N 1.275 120.781 119.914 -0.680 0.000 2.588 573 V HA 0.342 4.462 4.120 -0.001 0.000 0.304 573 V C -1.072 174.715 176.094 -0.512 0.000 1.042 573 V CA -0.932 61.201 62.300 -0.278 0.000 0.877 573 V CB 1.820 33.486 31.823 -0.260 0.000 0.996 573 V HN 0.312 nan 8.190 nan 0.000 0.425 574 W N 2.715 124.035 121.300 0.033 0.000 2.600 574 W HA 0.407 5.067 4.660 -0.001 0.000 0.325 574 W C -0.086 176.448 176.519 0.024 0.000 1.034 574 W CA -0.790 56.569 57.345 0.022 0.000 1.226 574 W CB 1.988 31.482 29.460 0.057 0.000 1.379 574 W HN 0.616 nan 8.180 nan 0.000 0.466 575 N N 2.831 121.605 118.700 0.124 0.000 2.470 575 N HA 0.068 4.807 4.740 -0.001 0.000 0.268 575 N C 1.060 176.620 175.510 0.084 0.000 1.136 575 N CA 0.109 53.191 53.050 0.054 0.000 0.961 575 N CB 0.738 39.191 38.487 -0.057 0.000 1.067 575 N HN 0.222 nan 8.380 nan 0.000 0.468 576 M N 2.030 121.657 119.600 0.045 0.000 2.726 576 M HA 0.006 4.486 4.480 -0.001 0.000 0.211 576 M C 0.648 176.931 176.300 -0.028 0.000 1.190 576 M CA 0.409 55.717 55.300 0.013 0.000 1.000 576 M CB -1.372 31.219 32.600 -0.015 0.000 1.790 576 M HN 0.678 nan 8.290 nan 0.000 0.467 577 D N 0.742 121.123 120.400 -0.032 0.000 2.144 577 D HA -0.167 4.473 4.640 -0.001 0.000 0.200 577 D C 0.974 177.260 176.300 -0.024 0.000 0.978 577 D CA 0.945 54.920 54.000 -0.041 0.000 0.833 577 D CB 0.149 40.916 40.800 -0.054 0.000 0.961 577 D HN 0.449 nan 8.370 nan 0.000 0.470 578 Q N 0.000 119.799 119.800 -0.002 0.000 2.315 578 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 578 Q CA 0.000 55.807 55.803 0.007 0.000 1.022 578 Q CB 0.000 28.734 28.738 -0.006 0.000 1.108 578 Q HN 0.000 nan 8.270 nan 0.000 0.481