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_B 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 0.000 174.539 174.600 -0.102 0.000 1.055 8 S CA 0.000 57.985 58.200 -0.358 0.000 1.107 8 S CB 0.000 63.075 63.200 -0.209 0.000 0.593 9 F N 0.301 120.291 119.950 0.066 0.000 2.650 9 F HA 0.996 5.523 4.527 -0.001 0.000 0.320 9 F C -2.604 173.191 175.800 -0.008 0.000 1.091 9 F CA -2.892 55.122 58.000 0.024 0.000 0.962 9 F CB -0.989 38.019 39.000 0.013 0.000 1.363 9 F HN -0.052 nan 8.300 nan 0.000 0.482 10 P HA 0.231 nan 4.420 nan 0.000 0.318 10 P C -0.986 176.278 177.300 -0.061 0.000 1.309 10 P CA -0.077 63.056 63.100 0.056 0.000 0.736 10 P CB 1.211 32.918 31.700 0.011 0.000 1.440 11 E N -0.341 119.812 120.200 -0.078 0.000 3.588 11 E HA 0.126 4.476 4.350 -0.001 0.000 0.213 11 E C -0.319 176.206 176.600 -0.126 0.000 1.168 11 E CA 0.085 56.430 56.400 -0.090 0.000 1.254 11 E CB 0.078 29.751 29.700 -0.046 0.000 1.302 11 E HN 0.487 nan 8.360 nan 0.000 0.429 12 E N -2.000 118.094 120.200 -0.177 0.000 1.267 12 E HA -0.102 4.248 4.350 -0.001 0.000 0.216 12 E C 1.081 177.574 176.600 -0.179 0.000 1.056 12 E CA 0.316 56.627 56.400 -0.149 0.000 1.112 12 E CB -0.531 29.097 29.700 -0.121 0.000 4.705 12 E HN 0.071 nan 8.360 nan 0.000 0.674 13 V N 2.446 122.204 119.914 -0.260 0.000 2.346 13 V HA -0.077 4.042 4.120 -0.001 0.000 0.244 13 V C 2.437 178.263 176.094 -0.446 0.000 1.037 13 V CA 1.658 63.738 62.300 -0.368 0.000 1.029 13 V CB -0.510 30.952 31.823 -0.602 0.000 0.663 13 V HN 0.214 nan 8.190 nan 0.000 0.454 14 L N 0.123 121.027 121.223 -0.530 0.000 1.990 14 L HA -0.287 4.053 4.340 -0.001 0.000 0.213 14 L C 2.657 178.914 176.870 -1.021 0.000 1.072 14 L CA 2.542 56.881 54.840 -0.836 0.000 0.755 14 L CB -0.610 40.950 42.059 -0.833 0.000 0.889 14 L HN 0.510 nan 8.230 nan 0.000 0.432 15 E N -0.390 119.463 120.200 -0.579 0.000 2.033 15 E HA -0.345 4.004 4.350 -0.001 0.000 0.199 15 E C 2.144 178.631 176.600 -0.189 0.000 1.011 15 E CA 1.957 58.172 56.400 -0.309 0.000 0.815 15 E CB -0.182 29.431 29.700 -0.145 0.000 0.755 15 E HN 0.460 nan 8.360 nan 0.000 0.451 16 H N -0.537 118.398 119.070 -0.226 0.000 2.421 16 H HA -0.091 4.464 4.556 -0.001 0.000 0.298 16 H C 1.841 177.160 175.328 -0.015 0.000 1.087 16 H CA 1.688 57.657 56.048 -0.132 0.000 1.330 16 H CB 0.014 29.719 29.762 -0.095 0.000 1.388 16 H HN 0.070 nan 8.280 nan 0.000 0.526 17 V N 0.328 120.221 119.914 -0.035 0.000 2.223 17 V HA -0.288 3.832 4.120 -0.001 0.000 0.244 17 V C 2.127 178.360 176.094 0.231 0.000 1.045 17 V CA 2.095 64.442 62.300 0.079 0.000 1.000 17 V CB -1.045 30.719 31.823 -0.098 0.000 0.635 17 V HN 0.502 nan 8.190 nan 0.000 0.445 18 F N 1.498 121.402 119.950 -0.077 0.000 2.064 18 F HA -0.380 4.147 4.527 -0.001 0.000 0.293 18 F C 2.801 178.520 175.800 -0.135 0.000 1.086 18 F CA 1.651 59.592 58.000 -0.099 0.000 1.242 18 F CB -1.012 37.909 39.000 -0.131 0.000 0.970 18 F HN 0.407 nan 8.300 nan 0.000 0.494 19 S N 0.010 115.665 115.700 -0.075 0.000 2.520 19 S HA -0.213 4.257 4.470 -0.001 0.000 0.249 19 S C 1.169 175.497 174.600 -0.455 0.000 0.983 19 S CA 1.120 59.119 58.200 -0.335 0.000 0.958 19 S CB -1.040 61.816 63.200 -0.574 0.000 0.750 19 S HN 0.406 nan 8.310 nan 0.000 0.527 20 F N 0.727 120.622 119.950 -0.092 0.000 2.695 20 F HA 0.483 5.009 4.527 -0.001 0.000 0.303 20 F C 0.336 176.113 175.800 -0.040 0.000 1.091 20 F CA -0.627 57.327 58.000 -0.078 0.000 1.300 20 F CB 0.442 39.399 39.000 -0.071 0.000 1.071 20 F HN 0.172 nan 8.300 nan 0.000 0.578 21 I N 1.915 122.547 120.570 0.103 0.000 2.297 21 I HA 0.164 4.334 4.170 -0.001 0.000 0.291 21 I C 0.462 176.560 176.117 -0.032 0.000 1.033 21 I CA 0.087 61.410 61.300 0.038 0.000 1.253 21 I CB 0.984 38.989 38.000 0.009 0.000 1.396 21 I HN 0.255 nan 8.210 nan 0.000 0.476 22 Q N 3.547 123.325 119.800 -0.036 0.000 2.322 22 Q HA 0.233 4.573 4.340 -0.001 0.000 0.250 22 Q C 0.087 176.040 176.000 -0.078 0.000 0.853 22 Q CA -0.246 55.516 55.803 -0.068 0.000 0.951 22 Q CB 0.980 29.677 28.738 -0.068 0.000 1.114 22 Q HN 0.390 nan 8.270 nan 0.000 0.523 23 L N 3.149 124.334 121.223 -0.063 0.000 2.453 23 L HA -0.001 4.339 4.340 -0.001 0.000 0.272 23 L C 1.305 178.126 176.870 -0.082 0.000 1.182 23 L CA 0.662 55.458 54.840 -0.074 0.000 0.858 23 L CB 0.360 42.386 42.059 -0.055 0.000 1.120 23 L HN 0.009 nan 8.230 nan 0.000 0.474 24 D N 2.087 122.429 120.400 -0.097 0.000 2.133 24 D HA -0.188 4.452 4.640 -0.001 0.000 0.195 24 D C 1.651 177.918 176.300 -0.055 0.000 0.997 24 D CA 1.418 55.365 54.000 -0.087 0.000 0.840 24 D CB 0.319 41.072 40.800 -0.078 0.000 0.947 24 D HN 0.476 nan 8.370 nan 0.000 0.452 25 K N 0.668 121.043 120.400 -0.042 0.000 2.097 25 K HA -0.113 4.207 4.320 -0.001 0.000 0.206 25 K C 1.578 178.173 176.600 -0.009 0.000 1.049 25 K CA 0.801 57.080 56.287 -0.014 0.000 0.933 25 K CB -0.171 32.322 32.500 -0.011 0.000 0.717 25 K HN 0.181 nan 8.250 nan 0.000 0.442 26 D N 0.504 120.890 120.400 -0.023 0.000 2.103 26 D HA -0.059 4.581 4.640 -0.001 0.000 0.199 26 D C 2.039 178.317 176.300 -0.037 0.000 0.978 26 D CA 0.688 54.679 54.000 -0.014 0.000 0.829 26 D CB 0.021 40.814 40.800 -0.011 0.000 0.981 26 D HN 0.048 nan 8.370 nan 0.000 0.464 27 R N 0.726 121.182 120.500 -0.074 0.000 2.120 27 R HA -0.050 4.289 4.340 -0.001 0.000 0.234 27 R C 1.673 177.942 176.300 -0.052 0.000 1.123 27 R CA 0.694 56.723 56.100 -0.118 0.000 0.975 27 R CB -0.428 29.782 30.300 -0.150 0.000 0.866 27 R HN 0.197 nan 8.270 nan 0.000 0.446 28 N N 0.090 118.786 118.700 -0.007 0.000 2.216 28 N HA -0.082 4.658 4.740 -0.001 0.000 0.183 28 N C 1.717 177.269 175.510 0.071 0.000 1.017 28 N CA 1.000 54.082 53.050 0.053 0.000 0.861 28 N CB -0.255 38.268 38.487 0.061 0.000 0.986 28 N HN 0.014 nan 8.380 nan 0.000 0.428 29 S N 0.045 115.775 115.700 0.050 0.000 2.345 29 S HA -0.069 4.401 4.470 -0.001 0.000 0.219 29 S C 2.104 176.765 174.600 0.102 0.000 1.031 29 S CA 1.153 59.392 58.200 0.065 0.000 0.984 29 S CB -0.490 62.741 63.200 0.053 0.000 0.874 29 S HN 0.244 nan 8.310 nan 0.000 0.451 30 V N 2.113 122.091 119.914 0.107 0.000 2.469 30 V HA -0.110 4.010 4.120 -0.001 0.000 0.251 30 V C 2.171 178.423 176.094 0.263 0.000 1.064 30 V CA 2.617 65.059 62.300 0.237 0.000 1.066 30 V CB -1.361 30.476 31.823 0.023 0.000 0.667 30 V HN 0.687 nan 8.190 nan 0.000 0.461 31 S N -0.350 115.438 115.700 0.146 0.000 2.500 31 S HA 0.015 4.484 4.470 -0.001 0.000 0.239 31 S C 1.696 176.477 174.600 0.301 0.000 0.989 31 S CA 1.738 60.072 58.200 0.223 0.000 0.951 31 S CB -0.572 62.727 63.200 0.165 0.000 0.759 31 S HN 0.659 nan 8.310 nan 0.000 0.523 32 L N 0.548 121.891 121.223 0.201 0.000 2.693 32 L HA 0.252 4.592 4.340 -0.001 0.000 0.235 32 L C 1.968 178.868 176.870 0.051 0.000 1.127 32 L CA -0.046 54.877 54.840 0.139 0.000 0.914 32 L CB 0.128 42.246 42.059 0.099 0.000 1.193 32 L HN 0.148 nan 8.230 nan 0.000 0.502 33 V N 0.377 120.294 119.914 0.005 0.000 2.231 33 V HA -0.288 3.832 4.120 -0.001 0.000 0.250 33 V C 0.960 176.934 176.094 -0.199 0.000 1.058 33 V CA 1.683 63.852 62.300 -0.219 0.000 1.022 33 V CB -0.723 30.708 31.823 -0.654 0.000 0.640 33 V HN 0.759 nan 8.190 nan 0.000 0.445 34 C N -3.825 115.422 119.300 -0.089 0.000 3.292 34 C HA 0.376 4.835 4.460 -0.001 0.000 0.338 34 C C 1.033 176.104 174.990 0.135 0.000 1.323 34 C CA -1.290 57.714 59.018 -0.024 0.000 1.232 34 C CB 1.413 29.094 27.740 -0.097 0.000 1.517 34 C HN 0.299 nan 8.230 nan 0.000 0.470 35 K N 0.797 121.268 120.400 0.119 0.000 2.173 35 K HA -0.175 4.144 4.320 -0.001 0.000 0.207 35 K C 2.212 179.001 176.600 0.314 0.000 1.046 35 K CA 2.069 58.459 56.287 0.171 0.000 0.929 35 K CB -0.235 32.315 32.500 0.083 0.000 0.720 35 K HN 0.750 nan 8.250 nan 0.000 0.453 36 S N -0.197 115.699 115.700 0.327 0.000 2.368 36 S HA -0.147 4.323 4.470 -0.001 0.000 0.225 36 S C 1.533 176.474 174.600 0.569 0.000 1.030 36 S CA 0.968 59.411 58.200 0.405 0.000 0.999 36 S CB -0.133 63.309 63.200 0.405 0.000 0.844 36 S HN 0.371 nan 8.310 nan 0.000 0.459 37 W N 0.794 122.260 121.300 0.277 0.000 2.443 37 W HA 0.129 4.788 4.660 -0.001 0.000 0.296 37 W C 2.152 178.860 176.519 0.314 0.000 1.202 37 W CA 0.046 57.603 57.345 0.353 0.000 1.312 37 W CB -1.613 28.045 29.460 0.329 0.000 1.120 37 W HN 0.449 nan 8.180 nan 0.000 0.536 38 Y N 2.145 122.690 120.300 0.410 0.000 2.062 38 Y HA -0.387 4.162 4.550 -0.001 0.000 0.276 38 Y C 2.299 178.354 175.900 0.259 0.000 1.189 38 Y CA 2.684 60.944 58.100 0.265 0.000 1.130 38 Y CB -0.475 38.095 38.460 0.184 0.000 0.959 38 Y HN -0.080 nan 8.280 nan 0.000 0.499 39 E N -0.081 120.414 120.200 0.492 0.000 2.085 39 E HA -0.197 4.153 4.350 -0.001 0.000 0.194 39 E C 2.233 179.067 176.600 0.390 0.000 0.994 39 E CA 1.571 58.214 56.400 0.405 0.000 0.801 39 E CB -0.374 29.574 29.700 0.413 0.000 0.743 39 E HN 0.527 nan 8.360 nan 0.000 0.453 40 I N 1.492 122.270 120.570 0.347 0.000 2.493 40 I HA -0.200 3.970 4.170 -0.001 0.000 0.254 40 I C 2.425 178.769 176.117 0.378 0.000 1.160 40 I CA 1.213 62.704 61.300 0.317 0.000 1.445 40 I CB -1.154 36.960 38.000 0.189 0.000 1.086 40 I HN 0.156 nan 8.210 nan 0.000 0.433 41 E N 1.462 121.842 120.200 0.300 0.000 2.042 41 E HA -0.116 4.233 4.350 -0.001 0.000 0.189 41 E C 2.072 178.750 176.600 0.131 0.000 0.974 41 E CA 0.587 57.078 56.400 0.152 0.000 0.806 41 E CB -0.478 29.134 29.700 -0.147 0.000 0.769 41 E HN 0.150 nan 8.360 nan 0.000 0.451 42 R N -0.525 119.999 120.500 0.040 0.000 2.362 42 R HA -0.278 4.061 4.340 -0.001 0.000 0.211 42 R C 1.916 178.216 176.300 -0.001 0.000 1.022 42 R CA 2.685 58.724 56.100 -0.101 0.000 0.630 42 R CB -1.251 28.872 30.300 -0.296 0.000 0.874 42 R HN 0.431 nan 8.270 nan 0.000 0.324 43 W N -1.273 120.075 121.300 0.081 0.000 2.996 43 W HA 0.067 4.727 4.660 -0.001 0.000 0.270 43 W C 1.855 178.401 176.519 0.045 0.000 1.280 43 W CA 0.236 57.619 57.345 0.064 0.000 1.549 43 W CB 0.304 29.792 29.460 0.046 0.000 1.079 43 W HN 0.402 nan 8.180 nan 0.000 0.629 44 C N -0.794 118.652 119.300 0.244 0.000 2.881 44 C HA 0.447 4.907 4.460 -0.001 0.000 0.290 44 C C 0.859 175.865 174.990 0.027 0.000 1.362 44 C CA -0.731 58.359 59.018 0.120 0.000 1.757 44 C CB -1.641 26.164 27.740 0.109 0.000 2.265 44 C HN 0.064 nan 8.230 nan 0.000 0.600 45 R N 1.703 122.212 120.500 0.016 0.000 2.343 45 R HA 0.231 4.571 4.340 -0.001 0.000 0.326 45 R C 1.140 177.345 176.300 -0.158 0.000 1.055 45 R CA 0.023 56.052 56.100 -0.118 0.000 0.961 45 R CB 0.314 30.451 30.300 -0.272 0.000 0.978 45 R HN 0.575 nan 8.270 nan 0.000 0.443 46 R N 2.417 122.819 120.500 -0.163 0.000 2.173 46 R HA -0.012 4.328 4.340 -0.001 0.000 0.208 46 R C -0.104 176.090 176.300 -0.176 0.000 1.035 46 R CA 0.880 56.887 56.100 -0.154 0.000 1.004 46 R CB 0.192 30.412 30.300 -0.134 0.000 0.917 46 R HN 0.445 nan 8.270 nan 0.000 0.462 47 K N -1.215 119.068 120.400 -0.194 0.000 2.532 47 K HA 0.486 4.806 4.320 -0.001 0.000 0.265 47 K C -1.292 175.188 176.600 -0.200 0.000 0.948 47 K CA -0.821 55.364 56.287 -0.169 0.000 0.842 47 K CB 2.180 34.611 32.500 -0.114 0.000 1.392 47 K HN -0.219 nan 8.250 nan 0.000 0.436 48 V N 2.313 122.148 119.914 -0.131 0.000 2.789 48 V HA 0.650 4.770 4.120 -0.001 0.000 0.311 48 V C -1.801 174.301 176.094 0.013 0.000 1.073 48 V CA -0.753 61.475 62.300 -0.119 0.000 0.921 48 V CB 1.757 33.522 31.823 -0.096 0.000 1.009 48 V HN 0.772 nan 8.190 nan 0.000 0.426 49 F N 6.477 126.352 119.950 -0.124 0.000 2.460 49 F HA 0.695 5.222 4.527 -0.000 0.000 0.341 49 F C -0.601 175.147 175.800 -0.086 0.000 1.130 49 F CA -0.706 57.233 58.000 -0.102 0.000 0.962 49 F CB 1.229 40.179 39.000 -0.083 0.000 1.171 49 F HN 0.336 nan 8.300 nan 0.000 0.436 50 I N 6.601 126.760 120.570 -0.685 0.000 2.460 50 I HA 0.252 4.422 4.170 -0.001 0.000 0.277 50 I C 1.155 176.810 176.117 -0.771 0.000 1.057 50 I CA -0.445 60.515 61.300 -0.567 0.000 1.179 50 I CB 1.377 39.115 38.000 -0.437 0.000 1.329 50 I HN 0.895 nan 8.210 nan 0.000 0.478 51 G N 4.279 112.598 108.800 -0.802 0.000 2.498 51 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.219 51 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.219 51 G C 0.596 175.339 174.900 -0.261 0.000 1.119 51 G CA 0.361 45.115 45.100 -0.577 0.000 0.766 51 G HN 0.693 nan 8.290 nan 0.000 0.552 52 N N -1.022 117.550 118.700 -0.212 0.000 2.653 52 N HA 0.106 4.846 4.740 -0.001 0.000 0.261 52 N C 1.517 176.936 175.510 -0.151 0.000 1.216 52 N CA -0.153 52.824 53.050 -0.123 0.000 0.784 52 N CB 0.323 38.772 38.487 -0.064 0.000 1.327 52 N HN 0.067 nan 8.380 nan 0.000 0.539 53 C N 2.307 121.459 119.300 -0.246 0.000 2.400 53 C HA -0.229 4.231 4.460 -0.001 0.000 0.278 53 C C 1.525 176.453 174.990 -0.104 0.000 1.183 53 C CA 0.758 59.613 59.018 -0.272 0.000 1.837 53 C CB -1.778 25.713 27.740 -0.415 0.000 2.129 53 C HN 0.788 nan 8.230 nan 0.000 0.485 54 Y N 1.001 121.345 120.300 0.074 0.000 2.466 54 Y HA 0.393 4.943 4.550 -0.001 0.000 0.272 54 Y C 2.576 178.564 175.900 0.147 0.000 1.169 54 Y CA 0.339 58.502 58.100 0.106 0.000 1.285 54 Y CB -0.284 38.190 38.460 0.024 0.000 1.078 54 Y HN 0.366 nan 8.280 nan 0.000 0.523 55 A N -0.231 122.704 122.820 0.190 0.000 2.119 55 A HA 0.187 4.507 4.320 -0.001 0.000 0.217 55 A C 0.658 178.373 177.584 0.219 0.000 1.153 55 A CA 1.142 53.301 52.037 0.202 0.000 0.692 55 A CB -0.095 18.975 19.000 0.117 0.000 0.799 55 A HN 0.161 nan 8.150 nan 0.000 0.458 56 V N -1.093 118.975 119.914 0.256 0.000 3.264 56 V HA 0.530 4.650 4.120 -0.001 0.000 0.294 56 V C -0.645 175.612 176.094 0.271 0.000 1.429 56 V CA -0.128 62.318 62.300 0.244 0.000 1.053 56 V CB 2.085 34.053 31.823 0.242 0.000 1.128 56 V HN 0.615 nan 8.190 nan 0.000 0.452 57 S N 4.061 119.840 115.700 0.133 0.000 2.654 57 S HA 0.668 5.137 4.470 -0.001 0.000 0.283 57 S C -2.059 172.342 174.600 -0.332 0.000 1.180 57 S CA -0.822 57.333 58.200 -0.075 0.000 1.021 57 S CB 1.635 64.809 63.200 -0.043 0.000 1.018 57 S HN 0.637 nan 8.310 nan 0.000 0.532 58 P HA -0.040 nan 4.420 nan 0.000 0.214 58 P C 1.736 178.841 177.300 -0.324 0.000 1.163 58 P CA 2.067 64.645 63.100 -0.870 0.000 0.883 58 P CB -0.364 30.705 31.700 -1.053 0.000 0.788 59 A N -0.371 122.284 122.820 -0.276 0.000 1.915 59 A HA -0.335 3.985 4.320 -0.001 0.000 0.220 59 A C 2.464 179.988 177.584 -0.099 0.000 1.198 59 A CA 3.250 55.188 52.037 -0.165 0.000 0.647 59 A CB -2.154 16.766 19.000 -0.134 0.000 0.825 59 A HN 0.347 nan 8.150 nan 0.000 0.456 60 T N -1.591 112.923 114.554 -0.067 0.000 2.720 60 T HA -0.141 4.209 4.350 -0.001 0.000 0.268 60 T C 1.683 176.398 174.700 0.025 0.000 1.037 60 T CA 2.230 64.325 62.100 -0.008 0.000 1.144 60 T CB -0.540 68.339 68.868 0.018 0.000 0.864 60 T HN 0.155 nan 8.240 nan 0.000 0.444 61 V N 0.542 120.516 119.914 0.100 0.000 2.488 61 V HA 0.082 4.201 4.120 -0.001 0.000 0.246 61 V C 2.644 178.845 176.094 0.179 0.000 1.046 61 V CA 1.456 63.902 62.300 0.243 0.000 1.053 61 V CB -0.456 31.629 31.823 0.436 0.000 0.679 61 V HN 0.500 nan 8.190 nan 0.000 0.458 62 I N -0.241 120.359 120.570 0.049 0.000 2.406 62 I HA -0.144 4.025 4.170 -0.001 0.000 0.249 62 I C 2.669 178.773 176.117 -0.023 0.000 1.122 62 I CA 1.181 62.466 61.300 -0.025 0.000 1.431 62 I CB -0.253 37.587 38.000 -0.267 0.000 1.087 62 I HN 0.180 nan 8.210 nan 0.000 0.424 63 R N 1.117 121.574 120.500 -0.071 0.000 2.148 63 R HA -0.166 4.173 4.340 -0.001 0.000 0.223 63 R C 2.357 178.537 176.300 -0.201 0.000 1.088 63 R CA 1.253 57.292 56.100 -0.102 0.000 0.985 63 R CB -0.028 30.229 30.300 -0.073 0.000 0.880 63 R HN 0.247 nan 8.270 nan 0.000 0.451 64 R N -0.669 119.665 120.500 -0.277 0.000 2.090 64 R HA 0.033 4.373 4.340 -0.001 0.000 0.219 64 R C -0.206 175.592 176.300 -0.837 0.000 1.100 64 R CA 0.766 56.523 56.100 -0.573 0.000 0.991 64 R CB 0.211 30.074 30.300 -0.728 0.000 0.893 64 R HN 0.085 nan 8.270 nan 0.000 0.443 65 F N 1.394 121.268 119.950 -0.127 0.000 2.319 65 F HA 0.427 4.954 4.527 -0.000 0.000 0.356 65 F C -1.920 173.826 175.800 -0.090 0.000 1.100 65 F CA -2.486 55.418 58.000 -0.160 0.000 1.220 65 F CB 2.054 41.007 39.000 -0.079 0.000 1.506 65 F HN 0.022 nan 8.300 nan 0.000 0.512 66 P HA 0.024 nan 4.420 nan 0.000 0.255 66 P C 0.751 178.107 177.300 0.093 0.000 1.248 66 P CA 0.548 63.677 63.100 0.048 0.000 0.807 66 P CB 0.287 31.840 31.700 -0.244 0.000 1.150 67 K N -0.441 119.942 120.400 -0.027 0.000 2.399 67 K HA 0.182 4.502 4.320 -0.001 0.000 0.204 67 K C 0.004 176.472 176.600 -0.220 0.000 1.023 67 K CA -0.248 56.015 56.287 -0.040 0.000 1.127 67 K CB 0.696 33.233 32.500 0.063 0.000 0.856 67 K HN -0.004 nan 8.250 nan 0.000 0.514 68 V N 1.506 121.137 119.914 -0.472 0.000 2.694 68 V HA -0.070 4.049 4.120 -0.001 0.000 0.306 68 V C 1.285 177.097 176.094 -0.470 0.000 1.054 68 V CA 0.840 62.839 62.300 -0.502 0.000 1.161 68 V CB 0.821 32.271 31.823 -0.622 0.000 0.916 68 V HN 0.270 nan 8.190 nan 0.000 0.490 69 R N 1.794 122.141 120.500 -0.255 0.000 2.365 69 R HA 0.223 4.563 4.340 -0.001 0.000 0.223 69 R C 0.219 176.446 176.300 -0.121 0.000 0.899 69 R CA 0.395 56.405 56.100 -0.150 0.000 1.059 69 R CB 0.775 31.021 30.300 -0.089 0.000 1.086 69 R HN 0.688 nan 8.270 nan 0.000 0.522 70 S N -0.141 115.477 115.700 -0.138 0.000 2.649 70 S HA 0.463 4.933 4.470 -0.001 0.000 0.274 70 S C -1.372 173.184 174.600 -0.073 0.000 1.176 70 S CA -0.656 57.492 58.200 -0.087 0.000 0.988 70 S CB 1.415 64.568 63.200 -0.079 0.000 1.071 70 S HN -0.124 nan 8.310 nan 0.000 0.478 71 V N 4.340 124.229 119.914 -0.041 0.000 2.540 71 V HA 0.619 4.738 4.120 -0.001 0.000 0.302 71 V C -0.272 175.788 176.094 -0.055 0.000 1.035 71 V CA -0.619 61.659 62.300 -0.036 0.000 0.873 71 V CB 1.643 33.468 31.823 0.003 0.000 0.992 71 V HN 0.926 nan 8.190 nan 0.000 0.428 72 E N 4.650 124.803 120.200 -0.077 0.000 2.199 72 E HA 0.740 5.090 4.350 -0.001 0.000 0.265 72 E C -1.848 174.576 176.600 -0.294 0.000 0.882 72 E CA -0.570 55.767 56.400 -0.105 0.000 0.759 72 E CB 1.712 31.447 29.700 0.058 0.000 1.148 72 E HN 0.612 nan 8.360 nan 0.000 0.412 73 L N 3.736 124.767 121.223 -0.320 0.000 2.381 73 L HA 0.572 4.912 4.340 -0.001 0.000 0.268 73 L C -0.665 176.014 176.870 -0.318 0.000 0.997 73 L CA -0.739 53.831 54.840 -0.451 0.000 0.818 73 L CB 2.157 43.870 42.059 -0.576 0.000 1.310 73 L HN 0.472 nan 8.230 nan 0.000 0.416 74 K N 0.495 120.701 120.400 -0.323 0.000 2.378 74 K HA 0.653 4.973 4.320 -0.001 0.000 0.252 74 K C 0.015 176.530 176.600 -0.142 0.000 0.931 74 K CA -0.444 55.730 56.287 -0.189 0.000 0.794 74 K CB 2.425 34.820 32.500 -0.175 0.000 1.181 74 K HN 0.704 nan 8.250 nan 0.000 0.425 75 G N 2.053 110.819 108.800 -0.056 0.000 2.583 75 G HA2 0.126 4.086 3.960 -0.001 0.000 0.214 75 G HA3 0.126 4.086 3.960 -0.001 0.000 0.214 75 G C -0.560 174.434 174.900 0.155 0.000 2.072 75 G CA -0.311 44.816 45.100 0.045 0.000 0.745 75 G HN 0.411 nan 8.290 nan 0.000 0.762 76 K N 1.586 122.048 120.400 0.102 0.000 2.440 76 K HA 0.218 4.538 4.320 -0.001 0.000 0.270 76 K C -2.343 174.098 176.600 -0.266 0.000 0.980 76 K CA -1.002 55.157 56.287 -0.212 0.000 0.953 76 K CB 0.369 32.710 32.500 -0.264 0.000 0.925 76 K HN 0.098 nan 8.250 nan 0.000 0.497 77 P HA -0.094 nan 4.420 nan 0.000 0.271 77 P C 0.367 177.447 177.300 -0.368 0.000 1.233 77 P CA 0.036 62.887 63.100 -0.416 0.000 0.789 77 P CB 0.353 31.546 31.700 -0.845 0.000 0.951 78 H N 0.619 119.479 119.070 -0.350 0.000 2.421 78 H HA -0.124 4.432 4.556 -0.001 0.000 0.298 78 H C 0.999 176.109 175.328 -0.362 0.000 1.087 78 H CA 1.161 57.044 56.048 -0.275 0.000 1.330 78 H CB -0.051 29.614 29.762 -0.162 0.000 1.388 78 H HN 0.234 nan 8.280 nan 0.000 0.526 79 F N 1.159 120.584 119.950 -0.874 0.000 2.604 79 F HA 0.077 4.604 4.527 -0.001 0.000 0.298 79 F C 2.646 177.946 175.800 -0.833 0.000 1.131 79 F CA 0.476 57.883 58.000 -0.990 0.000 1.457 79 F CB -1.058 37.280 39.000 -1.103 0.000 1.095 79 F HN 0.272 nan 8.300 nan 0.000 0.574 80 A N 0.171 122.652 122.820 -0.566 0.000 1.997 80 A HA -0.250 4.069 4.320 -0.001 0.000 0.221 80 A C 1.979 179.344 177.584 -0.365 0.000 1.172 80 A CA 2.166 53.956 52.037 -0.412 0.000 0.645 80 A CB -0.730 18.063 19.000 -0.346 0.000 0.813 80 A HN 0.240 nan 8.150 nan 0.000 0.454 81 D N -1.192 118.879 120.400 -0.548 0.000 2.309 81 D HA -0.065 4.574 4.640 -0.001 0.000 0.212 81 D C -0.058 176.033 176.300 -0.349 0.000 0.968 81 D CA 0.825 54.516 54.000 -0.516 0.000 0.882 81 D CB -0.231 40.139 40.800 -0.717 0.000 0.918 81 D HN 0.477 nan 8.370 nan 0.000 0.503 82 F N 0.943 120.771 119.950 -0.204 0.000 2.848 82 F HA 0.203 4.729 4.527 -0.001 0.000 0.321 82 F C -0.133 175.567 175.800 -0.168 0.000 1.281 82 F CA -1.917 55.961 58.000 -0.205 0.000 1.209 82 F CB -1.339 37.444 39.000 -0.361 0.000 1.152 82 F HN -0.223 nan 8.300 nan 0.000 0.521 83 N N 1.176 119.887 118.700 0.019 0.000 2.206 83 N HA -0.137 4.603 4.740 -0.001 0.000 0.283 83 N C 0.521 176.008 175.510 -0.039 0.000 1.385 83 N CA 0.434 53.456 53.050 -0.048 0.000 1.002 83 N CB -0.119 38.351 38.487 -0.028 0.000 1.423 83 N HN 0.534 nan 8.380 nan 0.000 0.488 84 L N 0.559 121.731 121.223 -0.085 0.000 2.693 84 L HA 0.171 4.511 4.340 -0.001 0.000 0.235 84 L C 0.504 177.405 176.870 0.052 0.000 1.127 84 L CA -0.265 54.572 54.840 -0.004 0.000 0.914 84 L CB 0.379 42.435 42.059 -0.005 0.000 1.193 84 L HN 0.480 nan 8.230 nan 0.000 0.502 85 V N 0.768 120.638 119.914 -0.074 0.000 2.328 85 V HA 0.490 4.610 4.120 -0.001 0.000 0.278 85 V C -2.258 173.875 176.094 0.064 0.000 1.021 85 V CA -1.888 60.405 62.300 -0.012 0.000 0.838 85 V CB 1.148 32.797 31.823 -0.291 0.000 0.999 85 V HN -0.050 nan 8.190 nan 0.000 0.447 86 P HA 0.164 nan 4.420 nan 0.000 0.267 86 P C -0.484 176.939 177.300 0.204 0.000 1.200 86 P CA 0.029 63.142 63.100 0.022 0.000 0.772 86 P CB 0.304 31.783 31.700 -0.368 0.000 0.855 87 D N 1.084 121.568 120.400 0.139 0.000 2.548 87 D HA 0.142 4.782 4.640 -0.001 0.000 0.231 87 D C 1.618 178.147 176.300 0.382 0.000 1.142 87 D CA 2.035 56.154 54.000 0.199 0.000 0.866 87 D CB 0.009 40.880 40.800 0.118 0.000 1.190 87 D HN 0.706 nan 8.370 nan 0.000 0.469 88 G N 1.791 110.795 108.800 0.342 0.000 2.176 88 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.253 88 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.253 88 G C 0.866 175.969 174.900 0.339 0.000 0.979 88 G CA 0.508 45.827 45.100 0.365 0.000 0.641 88 G HN 0.619 nan 8.290 nan 0.000 0.530 89 W N 1.255 122.690 121.300 0.226 0.000 2.363 89 W HA 0.329 4.989 4.660 -0.000 0.000 0.296 89 W C 1.402 177.962 176.519 0.068 0.000 1.212 89 W CA 3.201 60.614 57.345 0.113 0.000 1.260 89 W CB 0.067 29.658 29.460 0.219 0.000 1.131 89 W HN 1.155 nan 8.180 nan 0.000 0.530 90 G N -2.689 106.147 108.800 0.060 0.000 2.373 90 G HA2 0.365 4.324 3.960 -0.001 0.000 0.250 90 G HA3 0.365 4.324 3.960 -0.001 0.000 0.250 90 G C 0.325 175.179 174.900 -0.077 0.000 1.304 90 G CA 0.036 45.014 45.100 -0.204 0.000 0.948 90 G HN 1.006 nan 8.290 nan 0.000 0.474 91 G N -1.611 107.261 108.800 0.121 0.000 2.131 91 G HA2 -0.064 3.895 3.960 -0.001 0.000 0.201 91 G HA3 -0.064 3.895 3.960 -0.001 0.000 0.201 91 G C 0.060 174.959 174.900 -0.003 0.000 1.000 91 G CA 0.520 45.684 45.100 0.106 0.000 0.680 91 G HN 1.310 nan 8.290 nan 0.000 0.514 92 Y N -0.849 119.567 120.300 0.193 0.000 2.335 92 Y HA 0.419 4.969 4.550 -0.000 0.000 0.331 92 Y C 1.423 177.453 175.900 0.217 0.000 1.094 92 Y CA 0.280 58.495 58.100 0.191 0.000 1.253 92 Y CB 1.842 40.416 38.460 0.190 0.000 1.203 92 Y HN 0.005 nan 8.280 nan 0.000 0.508 93 V N 4.829 124.945 119.914 0.337 0.000 3.406 93 V HA -0.169 3.951 4.120 -0.001 0.000 0.263 93 V C 1.563 177.872 176.094 0.360 0.000 1.172 93 V CA 0.820 63.307 62.300 0.311 0.000 1.140 93 V CB -0.806 31.110 31.823 0.155 0.000 0.784 93 V HN 0.937 nan 8.190 nan 0.000 0.467 94 Y N 2.781 123.215 120.300 0.223 0.000 2.081 94 Y HA -0.151 4.399 4.550 -0.001 0.000 0.280 94 Y C -0.235 175.727 175.900 0.104 0.000 1.163 94 Y CA 2.596 60.778 58.100 0.137 0.000 1.135 94 Y CB -1.597 36.915 38.460 0.086 0.000 0.970 94 Y HN 0.335 nan 8.280 nan 0.000 0.498 95 P HA -0.202 nan 4.420 nan 0.000 0.221 95 P C 0.672 177.824 177.300 -0.247 0.000 1.141 95 P CA 2.144 65.176 63.100 -0.113 0.000 0.794 95 P CB -0.334 31.319 31.700 -0.079 0.000 0.764 96 W N -1.087 120.146 121.300 -0.112 0.000 2.480 96 W HA 0.101 4.761 4.660 -0.000 0.000 0.299 96 W C 2.243 178.689 176.519 -0.122 0.000 1.187 96 W CA 0.278 57.569 57.345 -0.091 0.000 1.347 96 W CB -0.831 28.600 29.460 -0.049 0.000 1.121 96 W HN -0.186 nan 8.180 nan 0.000 0.533 97 I N 0.310 120.916 120.570 0.059 0.000 2.226 97 I HA -0.288 3.882 4.170 -0.001 0.000 0.245 97 I C 2.382 178.395 176.117 -0.173 0.000 1.100 97 I CA 1.787 63.085 61.300 -0.004 0.000 1.374 97 I CB -0.499 37.487 38.000 -0.024 0.000 1.057 97 I HN 0.045 nan 8.210 nan 0.000 0.413 98 E N 1.246 121.184 120.200 -0.437 0.000 2.051 98 E HA -0.255 4.094 4.350 -0.001 0.000 0.192 98 E C 2.268 178.730 176.600 -0.231 0.000 0.991 98 E CA 1.429 57.570 56.400 -0.432 0.000 0.799 98 E CB -0.082 29.290 29.700 -0.546 0.000 0.748 98 E HN 0.466 nan 8.360 nan 0.000 0.449 99 A N 0.935 123.622 122.820 -0.221 0.000 1.877 99 A HA -0.158 4.161 4.320 -0.001 0.000 0.216 99 A C 2.245 179.726 177.584 -0.172 0.000 1.186 99 A CA 1.713 53.627 52.037 -0.206 0.000 0.620 99 A CB -0.545 18.290 19.000 -0.275 0.000 0.822 99 A HN 0.343 nan 8.150 nan 0.000 0.443 100 M N 0.749 120.284 119.600 -0.108 0.000 2.279 100 M HA -0.138 4.342 4.480 -0.001 0.000 0.264 100 M C 2.306 178.714 176.300 0.181 0.000 1.062 100 M CA 1.579 56.841 55.300 -0.065 0.000 1.099 100 M CB -0.392 32.265 32.600 0.096 0.000 1.394 100 M HN 0.665 nan 8.290 nan 0.000 0.426 101 S N -0.478 115.295 115.700 0.122 0.000 2.428 101 S HA -0.084 4.386 4.470 -0.001 0.000 0.230 101 S C 1.879 176.468 174.600 -0.017 0.000 1.014 101 S CA 1.252 59.450 58.200 -0.003 0.000 0.957 101 S CB -0.509 62.563 63.200 -0.213 0.000 0.784 101 S HN 0.557 nan 8.310 nan 0.000 0.499 102 S N 0.381 116.070 115.700 -0.019 0.000 2.503 102 S HA 0.240 4.710 4.470 -0.001 0.000 0.215 102 S C 1.685 176.308 174.600 0.039 0.000 1.003 102 S CA 0.350 58.544 58.200 -0.011 0.000 0.910 102 S CB -0.239 62.937 63.200 -0.040 0.000 0.790 102 S HN 0.414 nan 8.310 nan 0.000 0.514 103 S N 0.130 115.844 115.700 0.023 0.000 2.427 103 S HA 0.280 4.750 4.470 -0.001 0.000 0.224 103 S C 0.179 174.958 174.600 0.298 0.000 1.047 103 S CA -0.076 58.161 58.200 0.062 0.000 0.953 103 S CB -0.361 62.767 63.200 -0.121 0.000 0.824 103 S HN 0.657 nan 8.310 nan 0.000 0.502 104 Y N 3.094 123.518 120.300 0.207 0.000 2.767 104 Y HA 0.110 4.659 4.550 -0.001 0.000 0.354 104 Y C 1.525 177.599 175.900 0.290 0.000 1.292 104 Y CA -0.843 57.381 58.100 0.207 0.000 1.749 104 Y CB -0.456 38.057 38.460 0.089 0.000 1.841 104 Y HN 0.269 nan 8.280 nan 0.000 0.454 105 T N -2.426 112.370 114.554 0.403 0.000 2.881 105 T HA -0.218 4.132 4.350 -0.001 0.000 0.270 105 T C 0.795 175.614 174.700 0.198 0.000 1.068 105 T CA 0.999 63.235 62.100 0.227 0.000 1.131 105 T CB -0.107 68.720 68.868 -0.068 0.000 0.871 105 T HN 0.578 nan 8.240 nan 0.000 0.479 106 W N 1.059 122.476 121.300 0.195 0.000 3.330 106 W HA 0.575 5.234 4.660 -0.001 0.000 0.348 106 W C 0.160 176.725 176.519 0.076 0.000 1.205 106 W CA -1.287 56.136 57.345 0.129 0.000 1.841 106 W CB -0.436 29.068 29.460 0.073 0.000 1.084 106 W HN 0.094 nan 8.180 nan 0.000 0.665 107 L N 1.385 122.724 121.223 0.194 0.000 2.525 107 L HA -0.048 4.292 4.340 -0.001 0.000 0.278 107 L C 1.167 178.088 176.870 0.084 0.000 1.218 107 L CA 1.441 56.260 54.840 -0.036 0.000 0.878 107 L CB 0.767 42.542 42.059 -0.474 0.000 1.127 107 L HN 0.113 nan 8.230 nan 0.000 0.492 108 E N 1.952 122.188 120.200 0.059 0.000 2.367 108 E HA 0.178 4.527 4.350 -0.001 0.000 0.204 108 E C -0.469 176.081 176.600 -0.084 0.000 0.840 108 E CA 0.168 56.600 56.400 0.054 0.000 1.051 108 E CB 0.573 30.282 29.700 0.015 0.000 1.051 108 E HN 0.661 nan 8.360 nan 0.000 0.509 109 E N 0.951 121.132 120.200 -0.033 0.000 2.263 109 E HA 0.432 4.782 4.350 -0.001 0.000 0.268 109 E C -1.083 175.550 176.600 0.054 0.000 0.884 109 E CA -0.229 56.133 56.400 -0.063 0.000 0.766 109 E CB 2.609 32.263 29.700 -0.077 0.000 1.196 109 E HN -0.002 nan 8.360 nan 0.000 0.416 110 I N 3.132 123.781 120.570 0.133 0.000 2.418 110 I HA 0.392 4.561 4.170 -0.001 0.000 0.287 110 I C -0.451 175.701 176.117 0.058 0.000 1.008 110 I CA -0.663 60.708 61.300 0.119 0.000 1.104 110 I CB 1.380 39.510 38.000 0.216 0.000 1.264 110 I HN 0.263 nan 8.210 nan 0.000 0.438 111 R N 7.286 127.790 120.500 0.007 0.000 2.480 111 R HA 0.738 5.078 4.340 -0.001 0.000 0.306 111 R C -1.363 174.918 176.300 -0.033 0.000 0.958 111 R CA -0.810 55.291 56.100 0.000 0.000 0.861 111 R CB 2.301 32.608 30.300 0.012 0.000 1.171 111 R HN 0.497 nan 8.270 nan 0.000 0.445 112 L N 2.333 123.540 121.223 -0.025 0.000 2.386 112 L HA 0.562 4.902 4.340 -0.001 0.000 0.271 112 L C -0.437 176.419 176.870 -0.023 0.000 0.993 112 L CA -0.816 53.992 54.840 -0.053 0.000 0.819 112 L CB 2.345 44.373 42.059 -0.051 0.000 1.294 112 L HN 0.421 nan 8.230 nan 0.000 0.414 113 K N 2.465 122.840 120.400 -0.040 0.000 2.397 113 K HA 0.462 4.782 4.320 -0.001 0.000 0.253 113 K C -0.582 176.008 176.600 -0.016 0.000 0.932 113 K CA -0.802 55.478 56.287 -0.011 0.000 0.795 113 K CB 1.527 34.025 32.500 -0.003 0.000 1.159 113 K HN 0.451 nan 8.250 nan 0.000 0.424 114 R N 2.728 123.233 120.500 0.008 0.000 3.158 114 R HA -0.193 4.147 4.340 -0.001 0.000 0.244 114 R C -0.383 175.925 176.300 0.013 0.000 0.900 114 R CA 0.860 56.962 56.100 0.005 0.000 0.618 114 R CB -1.327 28.959 30.300 -0.025 0.000 1.061 114 R HN 0.497 nan 8.270 nan 0.000 0.471 115 M N -0.548 119.065 119.600 0.023 0.000 2.716 115 M HA 0.419 4.899 4.480 -0.001 0.000 0.307 115 M C 0.161 176.493 176.300 0.054 0.000 1.223 115 M CA -1.205 54.111 55.300 0.026 0.000 0.871 115 M CB 1.887 34.489 32.600 0.005 0.000 1.739 115 M HN -0.194 nan 8.290 nan 0.000 0.475 116 V N 2.458 122.388 119.914 0.026 0.000 2.406 116 V HA 0.446 4.566 4.120 -0.001 0.000 0.272 116 V C -0.313 175.877 176.094 0.160 0.000 1.043 116 V CA -0.480 61.856 62.300 0.059 0.000 0.915 116 V CB 1.250 32.999 31.823 -0.124 0.000 0.988 116 V HN 0.621 nan 8.190 nan 0.000 0.466 117 V N 3.871 123.912 119.914 0.213 0.000 2.638 117 V HA 0.533 4.652 4.120 -0.001 0.000 0.306 117 V C -0.018 176.224 176.094 0.246 0.000 1.052 117 V CA -0.354 62.050 62.300 0.173 0.000 0.885 117 V CB 2.270 34.089 31.823 -0.008 0.000 0.999 117 V HN 0.837 nan 8.190 nan 0.000 0.424 118 T N 1.594 116.256 114.554 0.181 0.000 2.932 118 T HA 0.286 4.636 4.350 -0.001 0.000 0.289 118 T C 0.595 175.366 174.700 0.118 0.000 1.039 118 T CA -0.371 61.830 62.100 0.168 0.000 1.024 118 T CB 1.766 70.711 68.868 0.127 0.000 1.090 118 T HN 0.758 nan 8.240 nan 0.000 0.496 119 D N 1.302 121.764 120.400 0.102 0.000 2.144 119 D HA -0.094 4.545 4.640 -0.001 0.000 0.199 119 D C 1.464 177.782 176.300 0.030 0.000 0.984 119 D CA 1.166 55.201 54.000 0.058 0.000 0.834 119 D CB 0.080 40.903 40.800 0.038 0.000 0.955 119 D HN 0.481 nan 8.370 nan 0.000 0.465 120 D N -0.252 120.164 120.400 0.027 0.000 2.123 120 D HA -0.129 4.511 4.640 -0.001 0.000 0.196 120 D C 2.226 178.606 176.300 0.134 0.000 0.992 120 D CA 0.643 54.665 54.000 0.037 0.000 0.833 120 D CB -0.482 40.283 40.800 -0.058 0.000 0.954 120 D HN 0.235 nan 8.370 nan 0.000 0.455 121 C N 0.355 119.769 119.300 0.190 0.000 2.398 121 C HA -0.134 4.326 4.460 -0.001 0.000 0.276 121 C C 2.882 177.894 174.990 0.037 0.000 1.222 121 C CA 0.367 59.497 59.018 0.186 0.000 1.746 121 C CB -1.242 26.594 27.740 0.160 0.000 2.039 121 C HN 0.367 nan 8.230 nan 0.000 0.470 122 L N 0.689 121.905 121.223 -0.011 0.000 2.093 122 L HA -0.117 4.223 4.340 -0.001 0.000 0.208 122 L C 2.752 179.574 176.870 -0.079 0.000 1.085 122 L CA 1.404 56.199 54.840 -0.075 0.000 0.755 122 L CB -0.857 41.134 42.059 -0.112 0.000 0.904 122 L HN 0.468 nan 8.230 nan 0.000 0.435 123 E N 0.343 120.513 120.200 -0.050 0.000 2.110 123 E HA -0.233 4.116 4.350 -0.001 0.000 0.193 123 E C 2.307 178.852 176.600 -0.093 0.000 0.988 123 E CA 0.983 57.347 56.400 -0.061 0.000 0.804 123 E CB -0.171 29.509 29.700 -0.034 0.000 0.745 123 E HN 0.476 nan 8.360 nan 0.000 0.458 124 L N 0.908 122.088 121.223 -0.072 0.000 2.093 124 L HA -0.140 4.199 4.340 -0.001 0.000 0.208 124 L C 2.363 179.065 176.870 -0.280 0.000 1.085 124 L CA 0.958 55.717 54.840 -0.135 0.000 0.755 124 L CB -0.102 41.916 42.059 -0.070 0.000 0.904 124 L HN 0.143 nan 8.230 nan 0.000 0.435 125 I N -0.428 120.009 120.570 -0.223 0.000 2.286 125 I HA -0.231 3.939 4.170 -0.001 0.000 0.245 125 I C 2.689 178.596 176.117 -0.350 0.000 1.104 125 I CA 1.025 62.160 61.300 -0.274 0.000 1.397 125 I CB -0.271 37.568 38.000 -0.269 0.000 1.072 125 I HN 0.225 nan 8.210 nan 0.000 0.417 126 A N 0.893 123.572 122.820 -0.234 0.000 1.972 126 A HA -0.252 4.068 4.320 -0.001 0.000 0.219 126 A C 2.238 179.738 177.584 -0.140 0.000 1.169 126 A CA 2.164 54.116 52.037 -0.142 0.000 0.635 126 A CB -0.378 18.570 19.000 -0.087 0.000 0.810 126 A HN 0.526 nan 8.150 nan 0.000 0.446 127 K N -1.602 118.670 120.400 -0.212 0.000 2.374 127 K HA 0.243 4.563 4.320 -0.001 0.000 0.202 127 K C 0.910 177.341 176.600 -0.281 0.000 1.040 127 K CA 0.849 57.026 56.287 -0.184 0.000 1.085 127 K CB 0.358 32.778 32.500 -0.133 0.000 0.873 127 K HN 0.223 nan 8.250 nan 0.000 0.539 128 S N 0.034 115.425 115.700 -0.516 0.000 2.497 128 S HA 0.273 4.743 4.470 -0.001 0.000 0.221 128 S C -0.201 174.001 174.600 -0.663 0.000 1.037 128 S CA -0.310 57.459 58.200 -0.718 0.000 0.920 128 S CB 0.053 62.505 63.200 -1.246 0.000 0.800 128 S HN 0.240 nan 8.310 nan 0.000 0.505 129 F N 1.752 121.663 119.950 -0.066 0.000 2.325 129 F HA 0.503 5.029 4.527 -0.001 0.000 0.369 129 F C 0.936 176.776 175.800 0.066 0.000 1.095 129 F CA -0.962 57.041 58.000 0.006 0.000 1.082 129 F CB 1.158 40.180 39.000 0.036 0.000 1.289 129 F HN -0.188 nan 8.300 nan 0.000 0.462 130 K N 0.986 121.491 120.400 0.174 0.000 2.228 130 K HA 0.033 4.353 4.320 -0.001 0.000 0.202 130 K C 1.093 177.803 176.600 0.184 0.000 1.051 130 K CA 0.862 57.216 56.287 0.113 0.000 0.960 130 K CB 0.059 32.560 32.500 0.002 0.000 0.743 130 K HN 0.326 nan 8.250 nan 0.000 0.458 131 N N -0.033 118.806 118.700 0.231 0.000 2.268 131 N HA 0.002 4.741 4.740 -0.001 0.000 0.204 131 N C -0.803 174.865 175.510 0.262 0.000 1.124 131 N CA -0.131 53.056 53.050 0.228 0.000 0.838 131 N CB -0.039 38.597 38.487 0.248 0.000 0.994 131 N HN 0.025 nan 8.380 nan 0.000 0.489 132 F N 1.733 121.780 119.950 0.162 0.000 2.593 132 F HA -0.089 4.438 4.527 -0.000 0.000 0.393 132 F C 1.389 177.264 175.800 0.124 0.000 1.037 132 F CA 0.814 58.903 58.000 0.147 0.000 1.195 132 F CB 0.609 39.727 39.000 0.195 0.000 1.034 132 F HN -0.081 nan 8.300 nan 0.000 0.552 133 K N 2.859 122.929 120.400 -0.549 0.000 2.462 133 K HA 0.286 4.606 4.320 -0.001 0.000 0.201 133 K C -0.895 175.435 176.600 -0.449 0.000 1.268 133 K CA 0.256 56.341 56.287 -0.336 0.000 0.933 133 K CB 1.018 33.427 32.500 -0.152 0.000 1.162 133 K HN 0.300 nan 8.250 nan 0.000 0.527 134 V N 2.508 121.990 119.914 -0.719 0.000 2.524 134 V HA 0.301 4.421 4.120 -0.001 0.000 0.297 134 V C -1.622 174.230 176.094 -0.403 0.000 1.035 134 V CA -0.827 61.225 62.300 -0.413 0.000 0.867 134 V CB 1.806 33.498 31.823 -0.217 0.000 1.004 134 V HN 0.062 nan 8.190 nan 0.000 0.426 135 L N 7.064 128.191 121.223 -0.160 0.000 2.342 135 L HA 0.726 5.066 4.340 -0.001 0.000 0.276 135 L C -0.816 176.082 176.870 0.046 0.000 0.997 135 L CA -0.068 54.818 54.840 0.076 0.000 0.838 135 L CB 1.743 43.952 42.059 0.250 0.000 1.224 135 L HN 0.409 nan 8.230 nan 0.000 0.416 136 V N 6.824 126.760 119.914 0.037 0.000 2.357 136 V HA 0.447 4.566 4.120 -0.001 0.000 0.284 136 V C -0.178 175.931 176.094 0.025 0.000 1.018 136 V CA -0.379 61.940 62.300 0.032 0.000 0.841 136 V CB 1.512 33.350 31.823 0.025 0.000 0.991 136 V HN 0.574 nan 8.190 nan 0.000 0.437 137 L N 4.508 125.749 121.223 0.031 0.000 2.324 137 L HA 0.517 4.856 4.340 -0.001 0.000 0.274 137 L C 0.075 176.995 176.870 0.084 0.000 1.012 137 L CA -0.001 54.855 54.840 0.026 0.000 0.859 137 L CB 1.747 43.776 42.059 -0.050 0.000 1.224 137 L HN 0.619 nan 8.230 nan 0.000 0.429 138 S N 1.534 117.278 115.700 0.073 0.000 2.594 138 S HA 0.337 4.807 4.470 -0.001 0.000 0.322 138 S C 0.314 174.965 174.600 0.084 0.000 1.085 138 S CA -0.373 57.878 58.200 0.084 0.000 1.116 138 S CB 0.705 63.947 63.200 0.069 0.000 0.979 138 S HN 0.620 nan 8.310 nan 0.000 0.465 139 S N 2.501 118.261 115.700 0.099 0.000 3.550 139 S HA -0.147 4.323 4.470 -0.001 0.000 0.372 139 S C 0.353 175.006 174.600 0.088 0.000 0.966 139 S CA 0.628 58.877 58.200 0.082 0.000 1.229 139 S CB -2.288 60.944 63.200 0.053 0.000 0.917 139 S HN 0.795 nan 8.310 nan 0.000 0.496 140 C N 1.318 120.708 119.300 0.150 0.000 2.345 140 C HA 0.813 5.273 4.460 -0.001 0.000 0.370 140 C C 0.634 175.754 174.990 0.217 0.000 1.209 140 C CA -0.797 58.334 59.018 0.189 0.000 2.133 140 C CB 1.360 29.237 27.740 0.227 0.000 2.293 140 C HN 0.810 nan 8.230 nan 0.000 0.544 141 E N -0.506 119.811 120.200 0.195 0.000 2.393 141 E HA 0.627 4.977 4.350 -0.001 0.000 0.273 141 E C -0.051 176.659 176.600 0.185 0.000 0.918 141 E CA -0.279 56.172 56.400 0.085 0.000 0.773 141 E CB 1.587 31.300 29.700 0.022 0.000 1.275 141 E HN 1.061 nan 8.360 nan 0.000 0.451 142 G N 0.473 109.312 108.800 0.065 0.000 2.273 142 G HA2 -0.103 3.856 3.960 -0.001 0.000 0.162 142 G HA3 -0.103 3.856 3.960 -0.001 0.000 0.162 142 G C -0.394 174.610 174.900 0.174 0.000 1.006 142 G CA -0.101 45.081 45.100 0.136 0.000 0.704 142 G HN 0.563 nan 8.290 nan 0.000 0.487 143 F N 0.710 120.656 119.950 -0.007 0.000 2.679 143 F HA 0.926 5.452 4.527 -0.001 0.000 0.341 143 F C 0.109 175.875 175.800 -0.058 0.000 1.095 143 F CA -0.844 57.137 58.000 -0.032 0.000 1.004 143 F CB 1.488 40.463 39.000 -0.041 0.000 1.388 143 F HN 0.572 nan 8.300 nan 0.000 0.505 144 S N -1.603 114.120 115.700 0.038 0.000 2.651 144 S HA 0.338 4.808 4.470 -0.001 0.000 0.279 144 S C 0.340 174.900 174.600 -0.066 0.000 1.148 144 S CA -0.061 58.091 58.200 -0.081 0.000 0.837 144 S CB 0.902 64.079 63.200 -0.039 0.000 1.138 144 S HN 1.150 nan 8.310 nan 0.000 0.478 145 T N -1.241 113.233 114.554 -0.133 0.000 2.996 145 T HA -0.070 4.280 4.350 -0.001 0.000 0.271 145 T C 0.755 175.384 174.700 -0.119 0.000 1.126 145 T CA 1.596 63.559 62.100 -0.228 0.000 1.103 145 T CB -0.693 68.153 68.868 -0.037 0.000 0.870 145 T HN 0.580 nan 8.240 nan 0.000 0.528 146 D N 1.459 121.826 120.400 -0.054 0.000 2.162 146 D HA 0.097 4.737 4.640 -0.001 0.000 0.203 146 D C 2.400 178.658 176.300 -0.069 0.000 0.967 146 D CA 1.142 55.117 54.000 -0.042 0.000 0.840 146 D CB -0.766 40.023 40.800 -0.020 0.000 0.972 146 D HN 0.559 nan 8.370 nan 0.000 0.482 147 G N 0.762 109.533 108.800 -0.049 0.000 2.402 147 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.216 147 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.216 147 G C 1.772 176.602 174.900 -0.117 0.000 1.162 147 G CA 0.261 45.332 45.100 -0.048 0.000 0.777 147 G HN 0.235 nan 8.290 nan 0.000 0.539 148 L N 0.807 121.910 121.223 -0.200 0.000 2.056 148 L HA -0.025 4.315 4.340 -0.001 0.000 0.207 148 L C 3.418 180.181 176.870 -0.179 0.000 1.078 148 L CA 0.927 55.574 54.840 -0.322 0.000 0.749 148 L CB -0.559 40.997 42.059 -0.838 0.000 0.901 148 L HN 0.276 nan 8.230 nan 0.000 0.433 149 A N 0.444 123.201 122.820 -0.106 0.000 1.958 149 A HA -0.305 4.014 4.320 -0.001 0.000 0.221 149 A C 2.550 180.029 177.584 -0.175 0.000 1.178 149 A CA 2.219 54.164 52.037 -0.154 0.000 0.642 149 A CB -0.799 17.967 19.000 -0.390 0.000 0.816 149 A HN 0.448 nan 8.150 nan 0.000 0.453 150 A N 0.049 122.791 122.820 -0.131 0.000 1.858 150 A HA -0.089 4.231 4.320 -0.001 0.000 0.216 150 A C 2.083 179.618 177.584 -0.081 0.000 1.190 150 A CA 1.577 53.560 52.037 -0.089 0.000 0.617 150 A CB -0.566 18.390 19.000 -0.074 0.000 0.827 150 A HN 0.453 nan 8.150 nan 0.000 0.443 151 I N 0.004 120.522 120.570 -0.087 0.000 2.118 151 I HA -0.331 3.839 4.170 -0.001 0.000 0.241 151 I C 2.943 178.991 176.117 -0.115 0.000 1.070 151 I CA 1.840 63.112 61.300 -0.047 0.000 1.327 151 I CB -1.423 36.569 38.000 -0.013 0.000 1.034 151 I HN 0.394 nan 8.210 nan 0.000 0.405 152 A N 0.476 123.117 122.820 -0.298 0.000 2.015 152 A HA -0.012 4.307 4.320 -0.001 0.000 0.219 152 A C 2.482 179.815 177.584 -0.419 0.000 1.163 152 A CA 1.734 53.289 52.037 -0.803 0.000 0.646 152 A CB -0.525 17.659 19.000 -1.361 0.000 0.806 152 A HN 0.472 nan 8.150 nan 0.000 0.448 153 A N -1.635 121.087 122.820 -0.163 0.000 1.975 153 A HA 0.103 4.422 4.320 -0.001 0.000 0.215 153 A C 2.142 179.729 177.584 0.005 0.000 1.170 153 A CA 1.909 53.934 52.037 -0.020 0.000 0.656 153 A CB -0.420 18.624 19.000 0.073 0.000 0.821 153 A HN 0.384 nan 8.150 nan 0.000 0.449 154 T N -1.741 112.812 114.554 -0.002 0.000 3.034 154 T HA 0.062 4.411 4.350 -0.001 0.000 0.248 154 T C 0.535 175.280 174.700 0.075 0.000 1.040 154 T CA 0.314 62.432 62.100 0.030 0.000 1.107 154 T CB -0.181 68.691 68.868 0.007 0.000 0.932 154 T HN 0.321 nan 8.240 nan 0.000 0.474 155 C N 4.338 123.698 119.300 0.099 0.000 2.311 155 C HA 0.283 4.743 4.460 -0.001 0.000 0.357 155 C C 1.908 177.037 174.990 0.233 0.000 1.086 155 C CA -1.020 58.117 59.018 0.198 0.000 1.486 155 C CB -1.214 26.702 27.740 0.293 0.000 1.974 155 C HN 0.567 nan 8.230 nan 0.000 0.508 156 R N 1.403 122.040 120.500 0.228 0.000 2.240 156 R HA 0.084 4.424 4.340 -0.001 0.000 0.203 156 R C 1.002 177.501 176.300 0.331 0.000 1.011 156 R CA 1.233 57.497 56.100 0.275 0.000 1.007 156 R CB -0.222 30.193 30.300 0.192 0.000 0.911 156 R HN 0.440 nan 8.270 nan 0.000 0.468 157 N N 0.239 119.104 118.700 0.275 0.000 2.184 157 N HA 0.080 4.819 4.740 -0.001 0.000 0.206 157 N C -0.393 175.244 175.510 0.212 0.000 1.151 157 N CA -0.339 52.835 53.050 0.206 0.000 0.878 157 N CB 0.345 38.924 38.487 0.155 0.000 1.014 157 N HN 0.109 nan 8.380 nan 0.000 0.512 158 L N 1.681 123.087 121.223 0.305 0.000 2.678 158 L HA -0.153 4.186 4.340 -0.001 0.000 0.285 158 L C 1.184 178.188 176.870 0.223 0.000 1.233 158 L CA 0.973 55.960 54.840 0.244 0.000 0.920 158 L CB 0.599 42.843 42.059 0.308 0.000 1.176 158 L HN -0.037 nan 8.230 nan 0.000 0.495 159 K N 2.121 122.563 120.400 0.069 0.000 2.387 159 K HA 0.263 4.583 4.320 -0.001 0.000 0.197 159 K C -0.282 176.336 176.600 0.031 0.000 1.127 159 K CA 0.243 56.548 56.287 0.031 0.000 0.950 159 K CB 0.474 32.961 32.500 -0.022 0.000 1.017 159 K HN 0.610 nan 8.250 nan 0.000 0.519 160 E N 0.981 121.189 120.200 0.014 0.000 2.260 160 E HA 0.254 4.604 4.350 -0.001 0.000 0.266 160 E C -1.949 174.684 176.600 0.055 0.000 0.887 160 E CA -0.570 55.842 56.400 0.020 0.000 0.777 160 E CB 1.929 31.616 29.700 -0.022 0.000 1.205 160 E HN -0.140 nan 8.360 nan 0.000 0.414 161 L N 3.922 125.212 121.223 0.112 0.000 2.377 161 L HA 0.456 4.796 4.340 -0.001 0.000 0.270 161 L C -1.563 175.382 176.870 0.125 0.000 0.991 161 L CA -0.313 54.610 54.840 0.139 0.000 0.851 161 L CB 1.308 43.508 42.059 0.235 0.000 1.218 161 L HN 0.365 nan 8.230 nan 0.000 0.420 162 D N 4.861 125.316 120.400 0.092 0.000 2.471 162 D HA 0.282 4.922 4.640 -0.001 0.000 0.245 162 D C 0.031 176.388 176.300 0.096 0.000 1.116 162 D CA -0.211 53.843 54.000 0.089 0.000 0.853 162 D CB 1.512 42.349 40.800 0.062 0.000 1.123 162 D HN 0.637 nan 8.370 nan 0.000 0.540 163 L N 3.659 124.955 121.223 0.122 0.000 2.700 163 L HA 0.180 4.520 4.340 -0.001 0.000 0.234 163 L C 0.831 177.791 176.870 0.149 0.000 1.156 163 L CA -0.340 54.586 54.840 0.143 0.000 0.946 163 L CB -0.042 42.110 42.059 0.155 0.000 1.216 163 L HN 0.227 nan 8.230 nan 0.000 0.493 164 R N 1.159 121.737 120.500 0.130 0.000 2.504 164 R HA -0.053 4.287 4.340 -0.001 0.000 0.291 164 R C -0.044 176.341 176.300 0.142 0.000 0.974 164 R CA 0.165 56.347 56.100 0.137 0.000 1.077 164 R CB -0.092 30.277 30.300 0.116 0.000 0.926 164 R HN 0.196 nan 8.270 nan 0.000 0.407 165 E N -0.170 120.123 120.200 0.155 0.000 2.637 165 E HA -0.201 4.148 4.350 -0.001 0.000 0.265 165 E C -0.899 175.768 176.600 0.112 0.000 1.073 165 E CA 1.085 57.570 56.400 0.141 0.000 0.778 165 E CB -1.936 27.852 29.700 0.147 0.000 1.362 165 E HN 0.713 nan 8.360 nan 0.000 0.413 166 S N 0.524 116.293 115.700 0.115 0.000 2.687 166 S HA 0.335 4.805 4.470 -0.001 0.000 0.283 166 S C -0.109 174.492 174.600 0.002 0.000 1.170 166 S CA -0.655 57.604 58.200 0.099 0.000 1.008 166 S CB 1.672 65.003 63.200 0.218 0.000 1.026 166 S HN 0.242 nan 8.310 nan 0.000 0.541 167 D N 1.912 122.269 120.400 -0.073 0.000 2.454 167 D HA 0.386 5.025 4.640 -0.001 0.000 0.225 167 D C -1.066 175.018 176.300 -0.359 0.000 1.081 167 D CA -0.369 53.544 54.000 -0.145 0.000 0.864 167 D CB 0.527 41.270 40.800 -0.094 0.000 1.040 167 D HN 0.107 nan 8.370 nan 0.000 0.517 168 V N 3.478 123.164 119.914 -0.380 0.000 2.435 168 V HA 0.209 4.329 4.120 -0.001 0.000 0.290 168 V C 0.248 176.142 176.094 -0.333 0.000 1.030 168 V CA -1.100 60.853 62.300 -0.579 0.000 0.881 168 V CB 1.544 33.100 31.823 -0.446 0.000 0.983 168 V HN 0.519 nan 8.190 nan 0.000 0.445 169 D N 3.165 123.372 120.400 -0.322 0.000 2.363 169 D HA -0.028 4.611 4.640 -0.001 0.000 0.263 169 D C 0.087 176.312 176.300 -0.125 0.000 1.258 169 D CA 0.284 54.179 54.000 -0.174 0.000 0.907 169 D CB 0.490 41.212 40.800 -0.130 0.000 1.107 169 D HN 0.508 nan 8.370 nan 0.000 0.495 170 D N 4.387 124.738 120.400 -0.082 0.000 3.139 170 D HA 0.070 4.710 4.640 -0.001 0.000 0.268 170 D C -0.104 176.196 176.300 -0.001 0.000 1.322 170 D CA -0.363 53.612 54.000 -0.041 0.000 0.940 170 D CB 0.510 41.290 40.800 -0.033 0.000 1.050 170 D HN 0.245 nan 8.370 nan 0.000 0.503 171 V N 0.884 120.799 119.914 0.002 0.000 2.539 171 V HA -0.032 4.088 4.120 -0.001 0.000 0.300 171 V C 0.864 177.017 176.094 0.098 0.000 1.019 171 V CA -0.186 62.136 62.300 0.037 0.000 1.160 171 V CB 0.163 32.002 31.823 0.027 0.000 0.901 171 V HN 0.479 nan 8.190 nan 0.000 0.481 172 S N 3.399 119.172 115.700 0.122 0.000 2.994 172 S HA -0.100 4.369 4.470 -0.001 0.000 0.848 172 S C 1.147 175.937 174.600 0.317 0.000 0.929 172 S CA 0.282 58.595 58.200 0.190 0.000 1.388 172 S CB -0.729 62.584 63.200 0.188 0.000 1.001 172 S HN 1.752 nan 8.310 nan 0.000 0.347 173 G N 3.157 112.094 108.800 0.228 0.000 2.920 173 G HA2 0.005 3.964 3.960 -0.001 0.000 0.208 173 G HA3 0.005 3.964 3.960 -0.001 0.000 0.208 173 G C 0.675 175.559 174.900 -0.027 0.000 1.159 173 G CA 0.843 46.032 45.100 0.148 0.000 0.784 173 G HN 0.987 nan 8.290 nan 0.000 0.535 174 H N 0.105 119.201 119.070 0.043 0.000 2.491 174 H HA -0.096 4.459 4.556 -0.001 0.000 0.290 174 H C 2.266 177.631 175.328 0.061 0.000 1.050 174 H CA 1.773 57.844 56.048 0.038 0.000 1.309 174 H CB -0.056 29.777 29.762 0.118 0.000 1.392 174 H HN 0.650 nan 8.280 nan 0.000 0.554 175 W N 0.378 121.739 121.300 0.102 0.000 2.350 175 W HA -0.202 4.458 4.660 -0.001 0.000 0.289 175 W C 1.473 177.974 176.519 -0.031 0.000 1.215 175 W CA 0.725 58.047 57.345 -0.039 0.000 1.236 175 W CB -1.277 28.127 29.460 -0.092 0.000 1.130 175 W HN 0.335 nan 8.180 nan 0.000 0.541 176 L N 2.527 123.021 121.223 -1.216 0.000 2.141 176 L HA -0.117 4.223 4.340 -0.001 0.000 0.209 176 L C 2.144 178.806 176.870 -0.345 0.000 1.094 176 L CA 1.948 56.131 54.840 -1.095 0.000 0.763 176 L CB -0.510 40.721 42.059 -1.378 0.000 0.908 176 L HN -0.170 nan 8.230 nan 0.000 0.437 177 S N -1.346 114.152 115.700 -0.336 0.000 2.660 177 S HA -0.036 4.434 4.470 -0.001 0.000 0.228 177 S C 1.328 175.819 174.600 -0.182 0.000 0.966 177 S CA 0.014 58.061 58.200 -0.254 0.000 0.940 177 S CB -0.666 62.269 63.200 -0.442 0.000 0.773 177 S HN 0.588 nan 8.310 nan 0.000 0.535 178 H N -0.041 118.899 119.070 -0.218 0.000 2.548 178 H HA 0.158 4.714 4.556 -0.001 0.000 0.268 178 H C -0.224 175.025 175.328 -0.133 0.000 0.975 178 H CA -0.007 55.955 56.048 -0.143 0.000 1.195 178 H CB 0.006 29.703 29.762 -0.108 0.000 1.397 178 H HN 0.422 nan 8.280 nan 0.000 0.572 179 F N 3.186 123.133 119.950 -0.006 0.000 2.571 179 F HA 0.016 4.543 4.527 -0.001 0.000 0.390 179 F C -1.621 174.173 175.800 -0.011 0.000 1.043 179 F CA -1.843 56.110 58.000 -0.078 0.000 1.164 179 F CB 0.184 39.115 39.000 -0.115 0.000 1.049 179 F HN 0.037 nan 8.300 nan 0.000 0.552 180 P HA 0.021 nan 4.420 nan 0.000 0.272 180 P C 0.123 177.522 177.300 0.165 0.000 1.230 180 P CA -0.213 62.972 63.100 0.142 0.000 0.788 180 P CB 0.733 32.512 31.700 0.131 0.000 0.949 181 D N -0.257 120.200 120.400 0.095 0.000 2.309 181 D HA -0.107 4.532 4.640 -0.001 0.000 0.212 181 D C 1.479 177.826 176.300 0.078 0.000 0.968 181 D CA 1.531 55.574 54.000 0.071 0.000 0.882 181 D CB -0.487 40.334 40.800 0.035 0.000 0.918 181 D HN 0.480 nan 8.370 nan 0.000 0.503 182 T N -2.924 111.692 114.554 0.103 0.000 3.081 182 T HA -0.048 4.302 4.350 -0.001 0.000 0.250 182 T C 0.782 175.550 174.700 0.113 0.000 1.100 182 T CA -0.437 61.712 62.100 0.082 0.000 1.038 182 T CB -0.415 68.496 68.868 0.072 0.000 0.962 182 T HN 0.042 nan 8.240 nan 0.000 0.516 183 Y N 3.253 123.581 120.300 0.046 0.000 2.425 183 Y HA 0.388 4.938 4.550 -0.001 0.000 0.331 183 Y C 1.119 177.005 175.900 -0.023 0.000 1.157 183 Y CA 0.405 58.530 58.100 0.042 0.000 1.372 183 Y CB 0.987 39.517 38.460 0.117 0.000 1.253 183 Y HN 0.233 nan 8.280 nan 0.000 0.536 184 T N -1.258 112.821 114.554 -0.792 0.000 3.328 184 T HA 0.050 4.399 4.350 -0.001 0.000 0.297 184 T C 0.523 174.862 174.700 -0.601 0.000 0.882 184 T CA 0.250 62.013 62.100 -0.562 0.000 0.906 184 T CB -0.913 67.803 68.868 -0.252 0.000 1.210 184 T HN 0.495 nan 8.240 nan 0.000 0.631 185 S N 0.908 116.079 115.700 -0.881 0.000 2.540 185 S HA 0.417 4.886 4.470 -0.001 0.000 0.218 185 S C 0.316 174.755 174.600 -0.268 0.000 0.977 185 S CA -0.570 57.383 58.200 -0.412 0.000 0.918 185 S CB -0.150 62.911 63.200 -0.232 0.000 0.806 185 S HN 0.420 nan 8.310 nan 0.000 0.496 186 L N 2.469 123.500 121.223 -0.321 0.000 2.462 186 L HA 0.271 4.611 4.340 -0.001 0.000 0.272 186 L C 0.881 177.707 176.870 -0.073 0.000 1.166 186 L CA 0.323 55.111 54.840 -0.086 0.000 0.880 186 L CB 0.824 42.846 42.059 -0.063 0.000 1.142 186 L HN 0.050 nan 8.230 nan 0.000 0.473 187 V N 2.707 122.602 119.914 -0.032 0.000 3.125 187 V HA 0.207 4.327 4.120 -0.001 0.000 0.249 187 V C 0.630 176.715 176.094 -0.016 0.000 1.113 187 V CA 0.914 63.195 62.300 -0.032 0.000 1.106 187 V CB 0.246 32.052 31.823 -0.029 0.000 0.768 187 V HN 0.847 nan 8.190 nan 0.000 0.468 188 S N 0.437 116.141 115.700 0.006 0.000 2.481 188 S HA 0.457 4.927 4.470 -0.001 0.000 0.262 188 S C -1.802 172.833 174.600 0.058 0.000 1.061 188 S CA -0.381 57.832 58.200 0.022 0.000 1.039 188 S CB 0.981 64.188 63.200 0.012 0.000 1.170 188 S HN 0.086 nan 8.310 nan 0.000 0.437 189 L N 5.234 126.499 121.223 0.070 0.000 2.316 189 L HA 0.670 5.009 4.340 -0.001 0.000 0.280 189 L C -0.654 176.287 176.870 0.119 0.000 1.006 189 L CA -0.248 54.663 54.840 0.120 0.000 0.836 189 L CB 1.368 43.495 42.059 0.115 0.000 1.221 189 L HN 0.714 nan 8.230 nan 0.000 0.418 190 N N 5.184 123.964 118.700 0.134 0.000 2.511 190 N HA 0.229 4.969 4.740 -0.001 0.000 0.249 190 N C -0.088 175.525 175.510 0.172 0.000 0.971 190 N CA -0.310 52.820 53.050 0.134 0.000 0.938 190 N CB 0.923 39.475 38.487 0.108 0.000 1.131 190 N HN 0.501 nan 8.380 nan 0.000 0.505 191 I N 2.470 123.155 120.570 0.193 0.000 3.976 191 I HA 0.097 4.266 4.170 -0.001 0.000 0.337 191 I C 1.715 177.953 176.117 0.202 0.000 1.359 191 I CA 0.297 61.732 61.300 0.225 0.000 1.098 191 I CB -0.690 37.468 38.000 0.263 0.000 1.027 191 I HN 0.628 nan 8.210 nan 0.000 0.394 192 S N -0.551 115.281 115.700 0.220 0.000 2.478 192 S HA -0.097 4.372 4.470 -0.001 0.000 0.222 192 S C 2.130 176.869 174.600 0.232 0.000 1.008 192 S CA 0.563 58.937 58.200 0.290 0.000 0.928 192 S CB -1.046 62.406 63.200 0.419 0.000 0.781 192 S HN 0.559 nan 8.310 nan 0.000 0.518 193 C N 1.079 120.486 119.300 0.179 0.000 2.491 193 C HA 0.428 4.888 4.460 -0.001 0.000 0.277 193 C C 0.985 175.992 174.990 0.028 0.000 1.455 193 C CA -1.078 58.002 59.018 0.104 0.000 1.758 193 C CB -1.970 25.830 27.740 0.099 0.000 1.745 193 C HN 0.510 nan 8.230 nan 0.000 0.558 194 L N 1.288 122.534 121.223 0.038 0.000 2.349 194 L HA 0.386 4.726 4.340 -0.001 0.000 0.275 194 L C 1.617 178.466 176.870 -0.035 0.000 1.115 194 L CA 0.087 54.941 54.840 0.022 0.000 0.820 194 L CB 0.986 43.113 42.059 0.113 0.000 1.135 194 L HN 0.299 nan 8.230 nan 0.000 0.445 195 A N 2.311 125.103 122.820 -0.047 0.000 1.930 195 A HA -0.020 4.300 4.320 -0.001 0.000 0.215 195 A C 1.309 178.876 177.584 -0.028 0.000 1.176 195 A CA 0.855 52.850 52.037 -0.070 0.000 0.632 195 A CB -0.237 18.724 19.000 -0.066 0.000 0.819 195 A HN 0.761 nan 8.150 nan 0.000 0.445 196 S N -0.316 115.398 115.700 0.024 0.000 2.634 196 S HA 0.382 4.852 4.470 -0.001 0.000 0.261 196 S C -0.113 174.528 174.600 0.068 0.000 1.271 196 S CA -0.505 57.726 58.200 0.051 0.000 0.985 196 S CB 0.824 64.082 63.200 0.097 0.000 0.968 196 S HN 0.476 nan 8.310 nan 0.000 0.568 197 E N 0.320 120.559 120.200 0.065 0.000 2.165 197 E HA 0.446 4.796 4.350 -0.001 0.000 0.266 197 E C -1.047 175.586 176.600 0.055 0.000 0.889 197 E CA -0.821 55.610 56.400 0.052 0.000 0.756 197 E CB 1.532 31.250 29.700 0.030 0.000 1.131 197 E HN 0.481 nan 8.360 nan 0.000 0.411 198 V N 2.996 122.932 119.914 0.037 0.000 3.051 198 V HA 0.012 4.131 4.120 -0.001 0.000 0.306 198 V C 0.600 176.677 176.094 -0.027 0.000 1.083 198 V CA 0.016 62.282 62.300 -0.056 0.000 1.104 198 V CB 1.601 33.367 31.823 -0.095 0.000 1.027 198 V HN 0.798 nan 8.190 nan 0.000 0.483 199 S N 2.119 117.763 115.700 -0.093 0.000 2.533 199 S HA 0.064 4.534 4.470 -0.001 0.000 0.282 199 S C 0.520 175.113 174.600 -0.011 0.000 1.304 199 S CA -0.161 58.019 58.200 -0.033 0.000 1.063 199 S CB -0.004 63.146 63.200 -0.084 0.000 0.881 199 S HN 0.599 nan 8.310 nan 0.000 0.493 200 F N 4.678 124.594 119.950 -0.057 0.000 2.219 200 F HA 0.050 4.576 4.527 -0.001 0.000 0.294 200 F C 2.502 178.274 175.800 -0.047 0.000 1.086 200 F CA 1.596 59.566 58.000 -0.049 0.000 1.330 200 F CB -0.785 38.194 39.000 -0.036 0.000 1.047 200 F HN 0.749 nan 8.300 nan 0.000 0.495 201 S N 1.030 116.695 115.700 -0.058 0.000 2.383 201 S HA -0.232 4.238 4.470 -0.001 0.000 0.229 201 S C 2.261 176.730 174.600 -0.218 0.000 1.030 201 S CA 1.014 59.122 58.200 -0.153 0.000 1.002 201 S CB -1.372 61.825 63.200 -0.005 0.000 0.829 201 S HN 0.467 nan 8.310 nan 0.000 0.467 202 A N 1.913 124.627 122.820 -0.178 0.000 1.902 202 A HA 0.065 4.385 4.320 -0.001 0.000 0.217 202 A C 2.241 179.693 177.584 -0.220 0.000 1.181 202 A CA 1.580 53.514 52.037 -0.173 0.000 0.623 202 A CB -0.900 17.996 19.000 -0.174 0.000 0.818 202 A HN 0.531 nan 8.150 nan 0.000 0.443 203 L N 0.169 121.211 121.223 -0.302 0.000 2.083 203 L HA -0.156 4.184 4.340 -0.001 0.000 0.209 203 L C 2.295 178.954 176.870 -0.352 0.000 1.083 203 L CA 2.745 57.398 54.840 -0.311 0.000 0.752 203 L CB -0.542 41.321 42.059 -0.327 0.000 0.899 203 L HN 0.635 nan 8.230 nan 0.000 0.433 204 E N -0.733 119.160 120.200 -0.512 0.000 2.072 204 E HA -0.226 4.123 4.350 -0.001 0.000 0.191 204 E C 2.304 178.777 176.600 -0.212 0.000 0.985 204 E CA 0.886 57.053 56.400 -0.388 0.000 0.801 204 E CB -0.123 29.304 29.700 -0.454 0.000 0.750 204 E HN 0.466 nan 8.360 nan 0.000 0.452 205 R N 0.608 120.998 120.500 -0.182 0.000 2.083 205 R HA -0.153 4.187 4.340 -0.001 0.000 0.237 205 R C 2.621 178.861 176.300 -0.101 0.000 1.137 205 R CA 1.489 57.520 56.100 -0.113 0.000 0.951 205 R CB -0.649 29.597 30.300 -0.090 0.000 0.851 205 R HN 0.333 nan 8.270 nan 0.000 0.434 206 L N 0.812 121.966 121.223 -0.114 0.000 1.955 206 L HA -0.208 4.132 4.340 -0.001 0.000 0.213 206 L C 2.270 179.070 176.870 -0.117 0.000 1.072 206 L CA 1.786 56.562 54.840 -0.107 0.000 0.755 206 L CB -0.483 41.500 42.059 -0.126 0.000 0.888 206 L HN 0.077 nan 8.230 nan 0.000 0.432 207 V N -0.252 119.588 119.914 -0.124 0.000 2.469 207 V HA -0.298 3.821 4.120 -0.001 0.000 0.251 207 V C 2.603 178.642 176.094 -0.093 0.000 1.064 207 V CA 2.231 64.469 62.300 -0.103 0.000 1.066 207 V CB -0.631 31.133 31.823 -0.098 0.000 0.667 207 V HN 0.545 nan 8.190 nan 0.000 0.461 208 T N 0.140 114.638 114.554 -0.094 0.000 2.821 208 T HA -0.144 4.206 4.350 -0.001 0.000 0.267 208 T C 1.694 176.350 174.700 -0.073 0.000 1.046 208 T CA 1.479 63.533 62.100 -0.076 0.000 1.139 208 T CB -0.191 68.634 68.868 -0.071 0.000 0.871 208 T HN 0.653 nan 8.240 nan 0.000 0.454 209 R N 0.295 120.746 120.500 -0.083 0.000 2.388 209 R HA 0.221 4.560 4.340 -0.001 0.000 0.247 209 R C -0.403 175.826 176.300 -0.119 0.000 0.931 209 R CA -0.094 55.955 56.100 -0.085 0.000 1.082 209 R CB -0.574 29.684 30.300 -0.070 0.000 1.135 209 R HN 0.239 nan 8.270 nan 0.000 0.525 210 C N 3.025 122.249 119.300 -0.128 0.000 2.357 210 C HA 0.375 4.834 4.460 -0.001 0.000 0.300 210 C C -1.370 173.552 174.990 -0.113 0.000 1.074 210 C CA -1.505 57.419 59.018 -0.157 0.000 1.566 210 C CB 1.272 28.898 27.740 -0.191 0.000 1.791 210 C HN 0.307 nan 8.230 nan 0.000 0.415 211 P HA -0.079 nan 4.420 nan 0.000 0.230 211 P C 0.697 177.958 177.300 -0.066 0.000 1.158 211 P CA 1.314 64.371 63.100 -0.071 0.000 0.769 211 P CB 0.240 31.902 31.700 -0.063 0.000 0.807 212 N N -0.377 118.275 118.700 -0.079 0.000 2.280 212 N HA 0.045 4.784 4.740 -0.001 0.000 0.192 212 N C 0.541 176.015 175.510 -0.061 0.000 1.109 212 N CA -0.251 52.758 53.050 -0.067 0.000 0.855 212 N CB -0.191 38.253 38.487 -0.071 0.000 0.974 212 N HN 0.153 nan 8.380 nan 0.000 0.482 213 L N 1.758 122.942 121.223 -0.065 0.000 2.584 213 L HA -0.049 4.290 4.340 -0.001 0.000 0.272 213 L C 1.105 177.953 176.870 -0.037 0.000 1.195 213 L CA 0.903 55.712 54.840 -0.052 0.000 0.920 213 L CB 0.488 42.513 42.059 -0.056 0.000 1.173 213 L HN -0.081 nan 8.230 nan 0.000 0.489 214 K N 1.939 122.321 120.400 -0.029 0.000 2.511 214 K HA 0.203 4.523 4.320 -0.001 0.000 0.209 214 K C -0.140 176.449 176.600 -0.019 0.000 1.301 214 K CA 0.165 56.438 56.287 -0.024 0.000 0.967 214 K CB 0.921 33.406 32.500 -0.025 0.000 1.109 214 K HN 0.553 nan 8.250 nan 0.000 0.561 215 S N 1.283 116.975 115.700 -0.013 0.000 2.776 215 S HA 0.429 4.898 4.470 -0.001 0.000 0.284 215 S C -1.902 172.702 174.600 0.007 0.000 1.160 215 S CA -0.674 57.522 58.200 -0.007 0.000 1.051 215 S CB 0.562 63.758 63.200 -0.007 0.000 1.037 215 S HN 0.112 nan 8.310 nan 0.000 0.485 216 L N 5.760 126.989 121.223 0.009 0.000 2.388 216 L HA 0.618 4.957 4.340 -0.001 0.000 0.267 216 L C -1.110 175.784 176.870 0.040 0.000 0.995 216 L CA -0.070 54.786 54.840 0.027 0.000 0.864 216 L CB 0.954 43.023 42.059 0.016 0.000 1.216 216 L HN 0.599 nan 8.230 nan 0.000 0.430 217 K N 6.285 126.726 120.400 0.069 0.000 2.367 217 K HA 0.533 4.852 4.320 -0.001 0.000 0.263 217 K C -1.092 175.604 176.600 0.160 0.000 1.000 217 K CA -0.534 55.811 56.287 0.097 0.000 0.891 217 K CB 1.581 34.135 32.500 0.089 0.000 1.117 217 K HN 0.498 nan 8.250 nan 0.000 0.443 218 L N 2.763 124.101 121.223 0.192 0.000 2.312 218 L HA 0.202 4.541 4.340 -0.001 0.000 0.281 218 L C 0.283 177.311 176.870 0.264 0.000 1.070 218 L CA -0.742 54.221 54.840 0.205 0.000 0.805 218 L CB 0.476 42.642 42.059 0.177 0.000 1.174 218 L HN 0.657 nan 8.230 nan 0.000 0.434 219 N N 1.986 120.767 118.700 0.136 0.000 2.026 219 N HA -0.247 4.492 4.740 -0.001 0.000 0.394 219 N C 0.631 176.069 175.510 -0.120 0.000 1.169 219 N CA 0.647 53.694 53.050 -0.005 0.000 0.990 219 N CB 0.257 38.781 38.487 0.062 0.000 0.938 219 N HN 0.547 nan 8.380 nan 0.000 0.585 220 R N 2.778 123.020 120.500 -0.431 0.000 2.362 220 R HA 0.201 4.541 4.340 -0.001 0.000 0.227 220 R C 0.867 177.049 176.300 -0.197 0.000 0.905 220 R CA 0.687 56.529 56.100 -0.430 0.000 1.067 220 R CB 0.081 29.709 30.300 -1.121 0.000 1.078 220 R HN 0.579 nan 8.270 nan 0.000 0.516 221 A N 0.836 123.566 122.820 -0.150 0.000 2.252 221 A HA 0.142 4.461 4.320 -0.001 0.000 0.207 221 A C 0.380 177.951 177.584 -0.022 0.000 1.194 221 A CA 0.084 52.077 52.037 -0.072 0.000 0.809 221 A CB 0.165 19.133 19.000 -0.052 0.000 0.814 221 A HN 0.046 nan 8.150 nan 0.000 0.482 222 V N 3.200 123.119 119.914 0.009 0.000 2.348 222 V HA 0.253 4.373 4.120 -0.001 0.000 0.270 222 V C -2.204 173.894 176.094 0.006 0.000 1.037 222 V CA -1.697 60.628 62.300 0.041 0.000 0.872 222 V CB 1.072 32.966 31.823 0.119 0.000 1.002 222 V HN 0.316 nan 8.190 nan 0.000 0.464 223 P HA 0.184 nan 4.420 nan 0.000 0.281 223 P C 0.835 178.071 177.300 -0.106 0.000 1.249 223 P CA -0.531 62.526 63.100 -0.072 0.000 0.810 223 P CB 1.876 33.513 31.700 -0.105 0.000 1.008 224 L N 3.005 124.147 121.223 -0.136 0.000 2.085 224 L HA -0.248 4.092 4.340 -0.001 0.000 0.218 224 L C 1.994 178.708 176.870 -0.260 0.000 1.080 224 L CA 2.155 56.839 54.840 -0.259 0.000 0.776 224 L CB -1.435 40.345 42.059 -0.465 0.000 0.891 224 L HN 0.407 nan 8.230 nan 0.000 0.437 225 E N -1.116 118.947 120.200 -0.230 0.000 2.338 225 E HA -0.145 4.204 4.350 -0.001 0.000 0.197 225 E C 1.758 178.254 176.600 -0.172 0.000 1.007 225 E CA 0.669 56.949 56.400 -0.200 0.000 0.849 225 E CB 0.039 29.639 29.700 -0.166 0.000 0.774 225 E HN 0.407 nan 8.360 nan 0.000 0.506 226 K N -0.105 120.187 120.400 -0.180 0.000 2.356 226 K HA 0.096 4.416 4.320 -0.001 0.000 0.195 226 K C 1.882 178.477 176.600 -0.008 0.000 1.037 226 K CA -0.000 56.184 56.287 -0.171 0.000 1.014 226 K CB 0.167 32.386 32.500 -0.468 0.000 0.815 226 K HN 0.212 nan 8.250 nan 0.000 0.507 227 L N 1.217 122.426 121.223 -0.023 0.000 1.990 227 L HA -0.244 4.095 4.340 -0.001 0.000 0.213 227 L C 2.376 179.262 176.870 0.027 0.000 1.072 227 L CA 1.695 56.549 54.840 0.023 0.000 0.755 227 L CB -0.594 41.458 42.059 -0.012 0.000 0.889 227 L HN 0.141 nan 8.230 nan 0.000 0.432 228 A N -0.703 122.111 122.820 -0.010 0.000 1.940 228 A HA -0.308 4.012 4.320 -0.001 0.000 0.221 228 A C 2.214 179.815 177.584 0.028 0.000 1.190 228 A CA 2.717 54.752 52.037 -0.003 0.000 0.647 228 A CB -1.143 17.841 19.000 -0.027 0.000 0.821 228 A HN 0.508 nan 8.150 nan 0.000 0.457 229 T N 0.541 115.131 114.554 0.061 0.000 2.635 229 T HA -0.168 4.182 4.350 -0.001 0.000 0.267 229 T C 1.802 176.550 174.700 0.081 0.000 1.040 229 T CA 1.606 63.764 62.100 0.097 0.000 1.156 229 T CB -0.515 68.478 68.868 0.208 0.000 0.863 229 T HN 0.415 nan 8.240 nan 0.000 0.430 230 L N 0.297 121.584 121.223 0.106 0.000 2.043 230 L HA -0.137 4.203 4.340 -0.001 0.000 0.212 230 L C 2.488 179.369 176.870 0.018 0.000 1.075 230 L CA 1.375 56.243 54.840 0.046 0.000 0.752 230 L CB -0.640 41.458 42.059 0.064 0.000 0.891 230 L HN 0.288 nan 8.230 nan 0.000 0.432 231 L N -1.424 119.813 121.223 0.023 0.000 2.209 231 L HA -0.100 4.240 4.340 -0.001 0.000 0.207 231 L C 2.739 179.611 176.870 0.003 0.000 1.094 231 L CA 0.364 55.210 54.840 0.010 0.000 0.790 231 L CB -0.431 41.634 42.059 0.011 0.000 0.932 231 L HN 0.275 nan 8.230 nan 0.000 0.447 232 Q N 0.316 120.119 119.800 0.006 0.000 2.135 232 Q HA -0.159 4.180 4.340 -0.001 0.000 0.204 232 Q C 2.224 178.220 176.000 -0.006 0.000 0.981 232 Q CA 1.216 57.019 55.803 0.001 0.000 0.856 232 Q CB -0.226 28.515 28.738 0.006 0.000 0.902 232 Q HN 0.369 nan 8.270 nan 0.000 0.425 233 R N -0.215 120.279 120.500 -0.010 0.000 2.235 233 R HA 0.059 4.399 4.340 -0.001 0.000 0.213 233 R C 0.611 176.894 176.300 -0.028 0.000 1.059 233 R CA 0.748 56.834 56.100 -0.025 0.000 0.997 233 R CB -0.005 30.271 30.300 -0.039 0.000 0.884 233 R HN 0.082 nan 8.270 nan 0.000 0.462 234 A N 1.389 124.196 122.820 -0.021 0.000 3.308 234 A HA 0.336 4.656 4.320 -0.001 0.000 0.275 234 A C -1.910 175.664 177.584 -0.016 0.000 0.950 234 A CA -0.941 51.082 52.037 -0.024 0.000 0.987 234 A CB 0.760 19.744 19.000 -0.026 0.000 1.146 234 A HN -0.103 nan 8.150 nan 0.000 0.488 235 P HA -0.202 nan 4.420 nan 0.000 0.226 235 P C 0.998 178.291 177.300 -0.011 0.000 1.146 235 P CA 1.078 64.172 63.100 -0.010 0.000 0.773 235 P CB 0.206 31.901 31.700 -0.009 0.000 0.772 236 Q N -1.113 118.677 119.800 -0.016 0.000 2.360 236 Q HA 0.053 4.393 4.340 -0.001 0.000 0.202 236 Q C 0.614 176.604 176.000 -0.016 0.000 0.915 236 Q CA -0.269 55.524 55.803 -0.017 0.000 0.943 236 Q CB -0.773 27.951 28.738 -0.022 0.000 1.064 236 Q HN 0.136 nan 8.270 nan 0.000 0.511 237 L N 2.866 124.080 121.223 -0.015 0.000 2.593 237 L HA -0.102 4.238 4.340 -0.001 0.000 0.287 237 L C 1.163 178.025 176.870 -0.013 0.000 1.243 237 L CA 1.091 55.922 54.840 -0.015 0.000 0.890 237 L CB 0.466 42.519 42.059 -0.011 0.000 1.134 237 L HN 0.243 nan 8.230 nan 0.000 0.502 238 E N 2.123 122.313 120.200 -0.016 0.000 2.307 238 E HA 0.118 4.467 4.350 -0.001 0.000 0.195 238 E C -0.310 176.277 176.600 -0.022 0.000 0.975 238 E CA 0.228 56.618 56.400 -0.017 0.000 0.878 238 E CB 0.481 30.170 29.700 -0.020 0.000 0.845 238 E HN 0.615 nan 8.360 nan 0.000 0.488 239 E N 1.087 121.272 120.200 -0.024 0.000 2.256 239 E HA 0.419 4.768 4.350 -0.001 0.000 0.268 239 E C -1.654 174.929 176.600 -0.029 0.000 0.877 239 E CA -0.683 55.697 56.400 -0.034 0.000 0.757 239 E CB 2.539 32.217 29.700 -0.037 0.000 1.183 239 E HN -0.110 nan 8.360 nan 0.000 0.418 240 L N 1.399 122.598 121.223 -0.040 0.000 2.385 240 L HA 0.671 5.011 4.340 -0.001 0.000 0.273 240 L C -0.676 176.141 176.870 -0.088 0.000 0.990 240 L CA -0.228 54.587 54.840 -0.043 0.000 0.821 240 L CB 1.928 43.966 42.059 -0.036 0.000 1.279 240 L HN 0.549 nan 8.230 nan 0.000 0.412 241 G N 2.406 111.168 108.800 -0.064 0.000 2.415 241 G HA2 0.479 4.438 3.960 -0.001 0.000 0.317 241 G HA3 0.479 4.438 3.960 -0.001 0.000 0.317 241 G C -0.043 174.830 174.900 -0.044 0.000 1.152 241 G CA 0.093 45.141 45.100 -0.087 0.000 0.956 241 G HN 0.838 nan 8.290 nan 0.000 0.458 242 T N 0.796 115.243 114.554 -0.178 0.000 2.802 242 T HA 0.540 4.889 4.350 -0.001 0.000 0.305 242 T C 1.274 176.139 174.700 0.275 0.000 1.053 242 T CA 0.269 62.364 62.100 -0.008 0.000 1.058 242 T CB 1.404 70.228 68.868 -0.074 0.000 0.988 242 T HN 0.555 nan 8.240 nan 0.000 0.539 243 G N 0.034 109.010 108.800 0.293 0.000 2.666 243 G HA2 0.534 4.494 3.960 -0.001 0.000 0.207 243 G HA3 0.534 4.494 3.960 -0.001 0.000 0.207 243 G C 0.614 175.803 174.900 0.481 0.000 1.481 243 G CA -0.631 44.696 45.100 0.379 0.000 1.071 243 G HN 1.112 nan 8.290 nan 0.000 0.572 244 G N -1.642 107.334 108.800 0.295 0.000 2.321 244 G HA2 0.219 4.179 3.960 -0.001 0.000 0.237 244 G HA3 0.219 4.179 3.960 -0.001 0.000 0.237 244 G C -0.760 174.307 174.900 0.279 0.000 1.282 244 G CA -0.018 45.262 45.100 0.301 0.000 0.886 244 G HN 0.409 nan 8.290 nan 0.000 0.528 245 Y N 1.738 122.168 120.300 0.216 0.000 2.724 245 Y HA 0.477 5.026 4.550 -0.000 0.000 0.370 245 Y C 0.729 176.709 175.900 0.133 0.000 0.978 245 Y CA -0.330 57.868 58.100 0.164 0.000 1.443 245 Y CB 0.729 39.356 38.460 0.278 0.000 1.386 245 Y HN 0.584 nan 8.280 nan 0.000 0.557 246 T N 1.031 115.586 114.554 0.002 0.000 2.933 246 T HA 0.874 5.224 4.350 -0.001 0.000 0.305 246 T C -1.525 173.132 174.700 -0.072 0.000 1.092 246 T CA -0.103 62.012 62.100 0.026 0.000 1.008 246 T CB 0.987 69.929 68.868 0.124 0.000 1.102 246 T HN 0.418 nan 8.240 nan 0.000 0.469 247 A N 2.964 125.783 122.820 -0.002 0.000 2.586 247 A HA 0.661 4.981 4.320 -0.001 0.000 0.291 247 A C -0.754 176.936 177.584 0.177 0.000 1.062 247 A CA -0.801 51.230 52.037 -0.009 0.000 0.666 247 A CB 0.971 19.840 19.000 -0.218 0.000 1.281 247 A HN 0.860 nan 8.150 nan 0.000 0.421 248 E N 0.239 120.512 120.200 0.121 0.000 2.534 248 E HA 0.222 4.572 4.350 -0.001 0.000 0.264 248 E C -0.303 176.431 176.600 0.223 0.000 0.981 248 E CA 0.062 56.541 56.400 0.131 0.000 0.948 248 E CB 0.428 30.173 29.700 0.074 0.000 0.934 248 E HN 0.427 nan 8.360 nan 0.000 0.459 249 V N 6.298 126.287 119.914 0.124 0.000 2.409 249 V HA 0.046 4.166 4.120 -0.001 0.000 0.270 249 V C 0.161 176.281 176.094 0.044 0.000 1.019 249 V CA 0.703 63.016 62.300 0.022 0.000 1.066 249 V CB -0.494 31.277 31.823 -0.086 0.000 1.021 249 V HN 0.569 nan 8.190 nan 0.000 0.476 250 R N 5.716 126.290 120.500 0.123 0.000 2.686 250 R HA 0.442 4.782 4.340 -0.001 0.000 0.283 250 R C -2.051 174.316 176.300 0.112 0.000 0.978 250 R CA -1.803 54.351 56.100 0.091 0.000 0.897 250 R CB 1.683 32.039 30.300 0.093 0.000 1.192 250 R HN 0.252 nan 8.270 nan 0.000 0.457 251 P HA -0.225 nan 4.420 nan 0.000 0.215 251 P C 0.440 177.815 177.300 0.126 0.000 1.153 251 P CA 1.544 64.695 63.100 0.086 0.000 0.853 251 P CB 0.145 31.867 31.700 0.037 0.000 0.788 252 D N 0.027 120.480 120.400 0.090 0.000 2.149 252 D HA -0.127 4.512 4.640 -0.001 0.000 0.198 252 D C 1.834 178.191 176.300 0.095 0.000 0.990 252 D CA 1.038 55.085 54.000 0.078 0.000 0.839 252 D CB -1.431 39.397 40.800 0.048 0.000 0.948 252 D HN 0.077 nan 8.370 nan 0.000 0.460 253 V N -0.391 119.598 119.914 0.126 0.000 2.453 253 V HA -0.185 3.935 4.120 -0.001 0.000 0.247 253 V C 2.258 178.455 176.094 0.171 0.000 1.048 253 V CA 1.260 63.624 62.300 0.108 0.000 1.049 253 V CB -0.857 31.034 31.823 0.113 0.000 0.672 253 V HN 0.143 nan 8.190 nan 0.000 0.457 254 Y N 0.984 121.414 120.300 0.218 0.000 2.097 254 Y HA -0.290 4.259 4.550 -0.001 0.000 0.282 254 Y C 2.987 178.943 175.900 0.093 0.000 1.152 254 Y CA 2.127 60.352 58.100 0.209 0.000 1.136 254 Y CB -0.499 38.021 38.460 0.101 0.000 0.975 254 Y HN 0.207 nan 8.280 nan 0.000 0.498 255 S N -0.278 115.550 115.700 0.213 0.000 2.368 255 S HA -0.238 4.232 4.470 -0.001 0.000 0.226 255 S C 2.274 176.860 174.600 -0.023 0.000 1.044 255 S CA 1.861 60.118 58.200 0.095 0.000 1.062 255 S CB -1.302 61.966 63.200 0.113 0.000 0.931 255 S HN 0.748 nan 8.310 nan 0.000 0.440 256 G N 1.361 110.155 108.800 -0.010 0.000 2.459 256 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.217 256 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.217 256 G C 1.484 176.339 174.900 -0.075 0.000 1.183 256 G CA 0.895 45.976 45.100 -0.032 0.000 0.776 256 G HN 0.506 nan 8.290 nan 0.000 0.552 257 L N 0.973 122.125 121.223 -0.117 0.000 2.043 257 L HA -0.168 4.171 4.340 -0.001 0.000 0.212 257 L C 3.250 180.025 176.870 -0.158 0.000 1.075 257 L CA 1.886 56.641 54.840 -0.141 0.000 0.752 257 L CB -0.194 41.749 42.059 -0.194 0.000 0.891 257 L HN 0.493 nan 8.230 nan 0.000 0.432 258 S N -1.489 114.059 115.700 -0.254 0.000 2.406 258 S HA -0.092 4.378 4.470 -0.001 0.000 0.224 258 S C 1.841 176.385 174.600 -0.094 0.000 1.030 258 S CA 0.857 58.916 58.200 -0.236 0.000 0.958 258 S CB -0.202 62.743 63.200 -0.426 0.000 0.811 258 S HN 0.195 nan 8.310 nan 0.000 0.489 259 V N 2.532 122.407 119.914 -0.065 0.000 2.343 259 V HA -0.081 4.039 4.120 -0.001 0.000 0.247 259 V C 3.161 179.243 176.094 -0.020 0.000 1.051 259 V CA 1.766 64.051 62.300 -0.024 0.000 1.036 259 V CB -1.501 30.315 31.823 -0.012 0.000 0.654 259 V HN 0.675 nan 8.190 nan 0.000 0.451 260 A N -0.589 122.214 122.820 -0.029 0.000 1.929 260 A HA -0.065 4.255 4.320 -0.001 0.000 0.216 260 A C 2.193 179.772 177.584 -0.008 0.000 1.176 260 A CA 1.447 53.475 52.037 -0.016 0.000 0.628 260 A CB -0.411 18.578 19.000 -0.018 0.000 0.816 260 A HN 0.496 nan 8.150 nan 0.000 0.444 261 L N 0.108 121.324 121.223 -0.012 0.000 2.179 261 L HA -0.092 4.248 4.340 -0.001 0.000 0.208 261 L C 2.774 179.653 176.870 0.015 0.000 1.096 261 L CA 1.400 56.245 54.840 0.009 0.000 0.779 261 L CB -0.095 41.977 42.059 0.021 0.000 0.922 261 L HN 0.573 nan 8.230 nan 0.000 0.443 262 S N -1.101 114.604 115.700 0.009 0.000 2.501 262 S HA 0.009 4.479 4.470 -0.001 0.000 0.220 262 S C 2.063 176.671 174.600 0.013 0.000 0.997 262 S CA 0.377 58.588 58.200 0.018 0.000 0.919 262 S CB -0.278 62.935 63.200 0.021 0.000 0.778 262 S HN 0.351 nan 8.310 nan 0.000 0.523 263 G N 1.100 109.905 108.800 0.007 0.000 2.562 263 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.223 263 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.223 263 G C 0.594 175.497 174.900 0.005 0.000 1.102 263 G CA 0.955 46.058 45.100 0.005 0.000 0.742 263 G HN 0.641 nan 8.290 nan 0.000 0.587 264 C N 1.504 120.809 119.300 0.008 0.000 2.183 264 C HA 0.368 4.827 4.460 -0.001 0.000 0.409 264 C C 1.551 176.547 174.990 0.009 0.000 1.022 264 C CA -0.988 58.034 59.018 0.007 0.000 1.367 264 C CB -0.473 27.271 27.740 0.008 0.000 1.650 264 C HN 0.449 nan 8.230 nan 0.000 0.499 265 K N 0.653 121.057 120.400 0.006 0.000 2.439 265 K HA -0.070 4.250 4.320 -0.001 0.000 0.197 265 K C 1.253 177.855 176.600 0.004 0.000 1.041 265 K CA 0.893 57.184 56.287 0.007 0.000 0.970 265 K CB 0.232 32.735 32.500 0.006 0.000 0.773 265 K HN 0.591 nan 8.250 nan 0.000 0.479 266 E N 0.703 120.903 120.200 0.001 0.000 2.472 266 E HA 0.066 4.415 4.350 -0.001 0.000 0.196 266 E C 0.345 176.943 176.600 -0.003 0.000 1.033 266 E CA 0.021 56.419 56.400 -0.003 0.000 0.886 266 E CB 0.117 29.812 29.700 -0.008 0.000 0.944 266 E HN 0.275 nan 8.360 nan 0.000 0.492 267 L N 2.272 123.496 121.223 0.001 0.000 2.660 267 L HA -0.063 4.277 4.340 -0.001 0.000 0.272 267 L C 1.458 178.327 176.870 -0.001 0.000 1.194 267 L CA 0.173 55.014 54.840 0.001 0.000 0.945 267 L CB 0.335 42.401 42.059 0.011 0.000 1.212 267 L HN -0.186 nan 8.230 nan 0.000 0.490 268 R N 1.494 121.988 120.500 -0.010 0.000 2.307 268 R HA 0.227 4.567 4.340 -0.001 0.000 0.200 268 R C -0.432 175.855 176.300 -0.022 0.000 0.893 268 R CA 0.225 56.316 56.100 -0.014 0.000 1.042 268 R CB 0.093 30.381 30.300 -0.019 0.000 1.059 268 R HN 0.511 nan 8.270 nan 0.000 0.530 269 C N 1.183 120.466 119.300 -0.028 0.000 2.446 269 C HA 0.574 5.033 4.460 -0.001 0.000 0.329 269 C C -0.497 174.468 174.990 -0.042 0.000 1.166 269 C CA -1.047 57.941 59.018 -0.049 0.000 1.341 269 C CB 1.640 29.337 27.740 -0.072 0.000 1.970 269 C HN 0.218 nan 8.230 nan 0.000 0.452 270 L N 3.790 124.997 121.223 -0.026 0.000 2.385 270 L HA 0.816 5.155 4.340 -0.001 0.000 0.273 270 L C -0.075 176.785 176.870 -0.017 0.000 0.990 270 L CA 0.371 55.207 54.840 -0.006 0.000 0.821 270 L CB 2.046 44.170 42.059 0.108 0.000 1.279 270 L HN 0.993 nan 8.230 nan 0.000 0.412 271 S N 1.633 117.213 115.700 -0.200 0.000 2.688 271 S HA 0.952 5.421 4.470 -0.001 0.000 0.275 271 S C -0.137 174.089 174.600 -0.622 0.000 1.175 271 S CA 0.003 58.039 58.200 -0.272 0.000 0.818 271 S CB 2.014 65.063 63.200 -0.252 0.000 1.157 271 S HN 1.200 nan 8.310 nan 0.000 0.482 272 G N 0.839 109.254 108.800 -0.641 0.000 3.035 272 G HA2 0.012 3.972 3.960 -0.001 0.000 0.242 272 G HA3 0.012 3.972 3.960 -0.001 0.000 0.242 272 G C 0.240 174.696 174.900 -0.740 0.000 1.524 272 G CA 0.158 44.702 45.100 -0.926 0.000 1.038 272 G HN 1.820 nan 8.290 nan 0.000 0.561 273 F N -0.041 119.743 119.950 -0.276 0.000 3.018 273 F HA -0.133 4.394 4.527 0.000 0.000 0.287 273 F C 1.003 176.839 175.800 0.060 0.000 0.813 273 F CA 0.610 58.521 58.000 -0.148 0.000 1.209 273 F CB -1.712 37.103 39.000 -0.308 0.000 1.321 273 F HN 0.533 nan 8.300 nan 0.000 0.477 274 W N 2.279 123.785 121.300 0.344 0.000 2.257 274 W HA 0.125 4.786 4.660 0.001 0.000 0.337 274 W C 1.034 177.709 176.519 0.260 0.000 1.321 274 W CA 0.390 57.905 57.345 0.284 0.000 1.267 274 W CB 0.173 29.739 29.460 0.177 0.000 1.187 274 W HN 0.187 nan 8.180 nan 0.000 0.565 275 D N -0.389 120.258 120.400 0.412 0.000 2.870 275 D HA -0.153 4.487 4.640 -0.001 0.000 0.228 275 D C 0.295 176.782 176.300 0.311 0.000 1.147 275 D CA 1.253 55.431 54.000 0.298 0.000 0.757 275 D CB -1.434 39.523 40.800 0.262 0.000 1.091 275 D HN 0.407 nan 8.370 nan 0.000 0.429 276 A N 0.256 123.280 122.820 0.339 0.000 2.511 276 A HA 0.405 4.725 4.320 -0.001 0.000 0.242 276 A C 0.992 178.768 177.584 0.321 0.000 1.069 276 A CA -0.115 52.180 52.037 0.430 0.000 0.763 276 A CB 0.607 19.785 19.000 0.297 0.000 1.001 276 A HN 0.499 nan 8.150 nan 0.000 0.498 277 V N 1.986 122.128 119.914 0.380 0.000 2.432 277 V HA 0.287 4.407 4.120 -0.001 0.000 0.271 277 V C -1.737 174.515 176.094 0.263 0.000 1.046 277 V CA -1.525 60.946 62.300 0.285 0.000 0.945 277 V CB 0.591 32.602 31.823 0.313 0.000 0.992 277 V HN 0.713 nan 8.190 nan 0.000 0.471 278 P HA -0.301 nan 4.420 nan 0.000 0.219 278 P C 1.711 179.056 177.300 0.076 0.000 1.158 278 P CA 2.854 66.013 63.100 0.098 0.000 0.895 278 P CB 0.054 31.788 31.700 0.056 0.000 0.792 279 A N -2.585 120.237 122.820 0.003 0.000 2.076 279 A HA -0.201 4.119 4.320 -0.001 0.000 0.220 279 A C 1.832 179.275 177.584 -0.235 0.000 1.160 279 A CA 1.456 53.388 52.037 -0.174 0.000 0.653 279 A CB -1.593 17.229 19.000 -0.296 0.000 0.801 279 A HN 0.281 nan 8.150 nan 0.000 0.455 280 Y N -1.261 119.157 120.300 0.196 0.000 2.481 280 Y HA 0.232 4.782 4.550 -0.001 0.000 0.258 280 Y C 1.861 178.018 175.900 0.429 0.000 1.103 280 Y CA -0.063 58.219 58.100 0.303 0.000 1.287 280 Y CB 0.114 38.644 38.460 0.118 0.000 1.108 280 Y HN 0.150 nan 8.280 nan 0.000 0.529 281 L N 0.499 121.993 121.223 0.452 0.000 2.079 281 L HA -0.160 4.180 4.340 -0.001 0.000 0.210 281 L C -0.816 176.056 176.870 0.003 0.000 1.081 281 L CA 1.119 56.108 54.840 0.248 0.000 0.752 281 L CB -1.457 40.655 42.059 0.088 0.000 0.896 281 L HN 0.143 nan 8.230 nan 0.000 0.433 282 P HA -0.101 nan 4.420 nan 0.000 0.226 282 P C 1.391 178.381 177.300 -0.518 0.000 1.153 282 P CA 1.190 63.611 63.100 -1.131 0.000 0.777 282 P CB 0.016 31.309 31.700 -0.677 0.000 0.794 283 A N -0.450 122.365 122.820 -0.009 0.000 2.032 283 A HA -0.166 4.154 4.320 -0.001 0.000 0.221 283 A C 2.187 179.754 177.584 -0.028 0.000 1.165 283 A CA 1.570 53.503 52.037 -0.173 0.000 0.645 283 A CB -1.645 17.198 19.000 -0.262 0.000 0.807 283 A HN 0.138 nan 8.150 nan 0.000 0.453 284 V N -0.901 119.052 119.914 0.065 0.000 3.461 284 V HA -0.093 4.027 4.120 -0.001 0.000 0.267 284 V C 1.936 178.174 176.094 0.239 0.000 1.186 284 V CA 0.678 63.081 62.300 0.171 0.000 1.154 284 V CB -0.954 31.014 31.823 0.241 0.000 0.802 284 V HN 0.644 nan 8.190 nan 0.000 0.474 285 Y N 0.940 121.290 120.300 0.084 0.000 2.200 285 Y HA -0.175 4.376 4.550 0.002 0.000 0.290 285 Y C 2.911 178.836 175.900 0.042 0.000 1.137 285 Y CA 1.243 59.376 58.100 0.055 0.000 1.163 285 Y CB -1.395 37.102 38.460 0.061 0.000 0.988 285 Y HN 0.501 nan 8.280 nan 0.000 0.518 286 S N -0.728 115.096 115.700 0.206 0.000 2.419 286 S HA -0.116 4.354 4.470 -0.001 0.000 0.233 286 S C 2.020 176.672 174.600 0.088 0.000 1.016 286 S CA 1.108 59.380 58.200 0.120 0.000 0.974 286 S CB -1.050 62.202 63.200 0.088 0.000 0.786 286 S HN 0.162 nan 8.310 nan 0.000 0.492 287 V N 0.241 120.213 119.914 0.096 0.000 3.078 287 V HA -0.090 4.029 4.120 -0.001 0.000 0.265 287 V C 2.352 178.483 176.094 0.061 0.000 1.122 287 V CA 1.280 63.624 62.300 0.072 0.000 1.141 287 V CB -0.806 31.066 31.823 0.082 0.000 0.735 287 V HN 0.753 nan 8.190 nan 0.000 0.498 288 C N -0.415 118.926 119.300 0.069 0.000 2.558 288 C HA -0.005 4.454 4.460 -0.001 0.000 0.288 288 C C 3.132 178.129 174.990 0.012 0.000 1.338 288 C CA 0.655 59.699 59.018 0.044 0.000 1.760 288 C CB -0.530 27.235 27.740 0.042 0.000 2.159 288 C HN 0.770 nan 8.230 nan 0.000 0.518 289 S N 2.353 118.061 115.700 0.013 0.000 2.434 289 S HA -0.314 4.155 4.470 -0.001 0.000 0.243 289 S C 1.602 176.203 174.600 0.002 0.000 1.045 289 S CA 2.210 60.412 58.200 0.004 0.000 1.019 289 S CB -0.586 62.620 63.200 0.011 0.000 0.811 289 S HN 0.870 nan 8.310 nan 0.000 0.485 290 R N -0.291 120.214 120.500 0.008 0.000 2.469 290 R HA 0.445 4.784 4.340 -0.001 0.000 0.250 290 R C 0.105 176.407 176.300 0.003 0.000 0.909 290 R CA -0.375 55.728 56.100 0.006 0.000 1.050 290 R CB -0.230 30.075 30.300 0.009 0.000 1.256 290 R HN 0.335 nan 8.270 nan 0.000 0.550 291 L N 2.921 124.147 121.223 0.004 0.000 2.455 291 L HA 0.122 4.462 4.340 -0.001 0.000 0.272 291 L C 0.959 177.825 176.870 -0.006 0.000 1.174 291 L CA 0.134 54.974 54.840 0.001 0.000 0.869 291 L CB 1.375 43.438 42.059 0.007 0.000 1.130 291 L HN 0.291 nan 8.230 nan 0.000 0.474 292 T N -2.792 111.755 114.554 -0.013 0.000 3.014 292 T HA 0.075 4.425 4.350 -0.001 0.000 0.250 292 T C 0.715 175.400 174.700 -0.025 0.000 1.060 292 T CA 0.004 62.095 62.100 -0.015 0.000 1.040 292 T CB 0.304 69.163 68.868 -0.015 0.000 0.971 292 T HN 0.492 nan 8.240 nan 0.000 0.497 293 T N 2.297 116.827 114.554 -0.040 0.000 2.881 293 T HA 0.661 5.011 4.350 -0.001 0.000 0.291 293 T C -1.797 172.865 174.700 -0.063 0.000 0.990 293 T CA -0.544 61.513 62.100 -0.072 0.000 0.976 293 T CB 1.812 70.604 68.868 -0.127 0.000 0.970 293 T HN 0.164 nan 8.240 nan 0.000 0.438 294 L N 4.371 125.564 121.223 -0.050 0.000 2.356 294 L HA 0.679 5.019 4.340 -0.001 0.000 0.277 294 L C -0.840 176.014 176.870 -0.027 0.000 0.996 294 L CA -0.538 54.292 54.840 -0.016 0.000 0.822 294 L CB 1.645 43.704 42.059 -0.001 0.000 1.256 294 L HN 0.469 nan 8.230 nan 0.000 0.413 295 N N 5.093 123.774 118.700 -0.031 0.000 2.564 295 N HA 0.308 5.048 4.740 -0.001 0.000 0.248 295 N C -0.580 174.936 175.510 0.010 0.000 0.986 295 N CA -0.225 52.811 53.050 -0.024 0.000 0.921 295 N CB 0.841 39.205 38.487 -0.205 0.000 1.136 295 N HN 0.722 nan 8.380 nan 0.000 0.509 296 L N 2.169 123.410 121.223 0.028 0.000 2.791 296 L HA 0.159 4.498 4.340 -0.001 0.000 0.239 296 L C 1.704 178.555 176.870 -0.033 0.000 1.203 296 L CA -0.036 54.772 54.840 -0.054 0.000 1.002 296 L CB 0.069 42.052 42.059 -0.127 0.000 1.295 296 L HN 0.532 nan 8.230 nan 0.000 0.504 297 S N -1.419 114.233 115.700 -0.080 0.000 2.561 297 S HA -0.058 4.411 4.470 -0.001 0.000 0.225 297 S C 1.241 175.864 174.600 0.039 0.000 0.977 297 S CA 0.511 58.696 58.200 -0.026 0.000 0.926 297 S CB -0.350 62.821 63.200 -0.048 0.000 0.769 297 S HN 0.578 nan 8.310 nan 0.000 0.533 298 Y N 0.941 121.196 120.300 -0.075 0.000 2.531 298 Y HA 0.564 5.114 4.550 -0.000 0.000 0.249 298 Y C 1.142 177.046 175.900 0.008 0.000 1.168 298 Y CA -0.708 57.346 58.100 -0.076 0.000 1.226 298 Y CB 0.208 38.493 38.460 -0.291 0.000 1.177 298 Y HN 0.342 nan 8.280 nan 0.000 0.527 299 A N 0.786 123.688 122.820 0.137 0.000 2.363 299 A HA 0.324 4.644 4.320 -0.001 0.000 0.270 299 A C 0.750 178.425 177.584 0.153 0.000 1.121 299 A CA -0.149 51.954 52.037 0.111 0.000 0.800 299 A CB 0.163 19.138 19.000 -0.041 0.000 1.052 299 A HN 0.299 nan 8.150 nan 0.000 0.493 300 T N 1.558 116.199 114.554 0.145 0.000 3.223 300 T HA 0.301 4.650 4.350 -0.001 0.000 0.259 300 T C 0.585 175.233 174.700 -0.087 0.000 1.015 300 T CA 0.332 62.515 62.100 0.138 0.000 0.908 300 T CB -1.238 67.720 68.868 0.150 0.000 1.054 300 T HN 0.851 nan 8.240 nan 0.000 0.567 301 V N -0.737 119.153 119.914 -0.040 0.000 3.003 301 V HA 0.517 4.637 4.120 -0.001 0.000 0.305 301 V C 0.070 176.082 176.094 -0.137 0.000 1.078 301 V CA -0.994 61.252 62.300 -0.090 0.000 1.083 301 V CB 0.790 32.596 31.823 -0.028 0.000 1.039 301 V HN -0.007 nan 8.190 nan 0.000 0.481 302 Q N 1.596 121.330 119.800 -0.110 0.000 2.317 302 Q HA 0.344 4.684 4.340 -0.001 0.000 0.229 302 Q C 1.554 177.573 176.000 0.031 0.000 0.984 302 Q CA 0.617 56.372 55.803 -0.081 0.000 0.911 302 Q CB 1.202 29.915 28.738 -0.042 0.000 1.217 302 Q HN 1.056 nan 8.270 nan 0.000 0.501 303 S N 0.914 116.661 115.700 0.079 0.000 2.370 303 S HA -0.234 4.236 4.470 -0.001 0.000 0.226 303 S C 1.696 176.346 174.600 0.084 0.000 1.033 303 S CA 1.474 59.731 58.200 0.095 0.000 1.011 303 S CB -0.366 62.902 63.200 0.113 0.000 0.852 303 S HN 0.623 nan 8.310 nan 0.000 0.457 304 Y N 2.459 122.763 120.300 0.007 0.000 2.114 304 Y HA -0.168 4.380 4.550 -0.003 0.000 0.282 304 Y C 2.153 178.057 175.900 0.008 0.000 1.165 304 Y CA 2.307 60.410 58.100 0.005 0.000 1.148 304 Y CB -0.605 37.856 38.460 0.002 0.000 0.972 304 Y HN 0.407 nan 8.280 nan 0.000 0.504 305 D N -0.293 120.078 120.400 -0.050 0.000 2.123 305 D HA -0.158 4.482 4.640 -0.001 0.000 0.200 305 D C 2.328 178.556 176.300 -0.120 0.000 0.976 305 D CA 1.405 55.349 54.000 -0.094 0.000 0.831 305 D CB -0.269 40.534 40.800 0.005 0.000 0.974 305 D HN 0.379 nan 8.370 nan 0.000 0.469 306 L N 0.900 122.074 121.223 -0.083 0.000 1.997 306 L HA -0.211 4.129 4.340 -0.001 0.000 0.216 306 L C 2.726 179.522 176.870 -0.122 0.000 1.074 306 L CA 0.986 55.776 54.840 -0.083 0.000 0.763 306 L CB -0.699 41.340 42.059 -0.034 0.000 0.890 306 L HN -0.072 nan 8.230 nan 0.000 0.434 307 V N -0.255 119.565 119.914 -0.156 0.000 2.287 307 V HA -0.313 3.806 4.120 -0.001 0.000 0.248 307 V C 2.559 178.510 176.094 -0.237 0.000 1.053 307 V CA 1.806 64.002 62.300 -0.173 0.000 1.027 307 V CB -0.497 31.207 31.823 -0.199 0.000 0.646 307 V HN 0.415 nan 8.190 nan 0.000 0.447 308 K N -0.779 119.420 120.400 -0.335 0.000 2.160 308 K HA -0.230 4.090 4.320 -0.001 0.000 0.206 308 K C 2.004 178.410 176.600 -0.322 0.000 1.047 308 K CA 1.557 57.660 56.287 -0.307 0.000 0.930 308 K CB -0.306 32.036 32.500 -0.264 0.000 0.720 308 K HN 0.306 nan 8.250 nan 0.000 0.450 309 L N 1.105 122.188 121.223 -0.234 0.000 2.049 309 L HA -0.057 4.283 4.340 -0.001 0.000 0.203 309 L C 1.906 178.641 176.870 -0.226 0.000 1.074 309 L CA 1.306 56.000 54.840 -0.242 0.000 0.749 309 L CB -0.580 41.435 42.059 -0.073 0.000 0.907 309 L HN 0.076 nan 8.230 nan 0.000 0.439 310 L N -0.820 120.310 121.223 -0.154 0.000 2.051 310 L HA -0.362 3.978 4.340 -0.001 0.000 0.214 310 L C 2.641 179.434 176.870 -0.129 0.000 1.076 310 L CA 1.680 56.452 54.840 -0.114 0.000 0.758 310 L CB -1.045 40.967 42.059 -0.078 0.000 0.890 310 L HN 0.414 nan 8.230 nan 0.000 0.433 311 C N -0.004 119.199 119.300 -0.162 0.000 2.393 311 C HA -0.183 4.276 4.460 -0.001 0.000 0.292 311 C C 2.009 176.913 174.990 -0.143 0.000 1.347 311 C CA 1.119 60.051 59.018 -0.143 0.000 1.810 311 C CB -1.250 26.394 27.740 -0.159 0.000 1.899 311 C HN 0.600 nan 8.230 nan 0.000 0.532 312 Q N -2.231 117.461 119.800 -0.180 0.000 2.155 312 Q HA 0.282 4.622 4.340 -0.001 0.000 0.273 312 Q C -0.317 175.627 176.000 -0.094 0.000 0.857 312 Q CA 0.002 55.716 55.803 -0.148 0.000 1.116 312 Q CB -0.278 28.342 28.738 -0.196 0.000 1.209 312 Q HN 0.535 nan 8.270 nan 0.000 0.460 313 C N 2.542 121.799 119.300 -0.072 0.000 3.276 313 C HA 0.308 4.768 4.460 -0.001 0.000 0.226 313 C C -1.233 173.739 174.990 -0.031 0.000 1.502 313 C CA -1.133 57.860 59.018 -0.043 0.000 1.488 313 C CB 0.217 27.933 27.740 -0.040 0.000 2.014 313 C HN 0.408 nan 8.230 nan 0.000 0.492 314 P HA -0.122 nan 4.420 nan 0.000 0.220 314 P C 0.865 178.157 177.300 -0.012 0.000 1.148 314 P CA 1.394 64.481 63.100 -0.020 0.000 0.803 314 P CB 0.257 31.945 31.700 -0.020 0.000 0.782 315 K N -0.983 119.411 120.400 -0.010 0.000 2.410 315 K HA 0.123 4.443 4.320 -0.001 0.000 0.200 315 K C 0.439 177.037 176.600 -0.004 0.000 1.023 315 K CA -0.564 55.719 56.287 -0.006 0.000 1.149 315 K CB -0.259 32.238 32.500 -0.005 0.000 0.859 315 K HN 0.022 nan 8.250 nan 0.000 0.514 316 L N 1.631 122.851 121.223 -0.004 0.000 2.513 316 L HA -0.084 4.255 4.340 -0.001 0.000 0.272 316 L C 0.870 177.745 176.870 0.008 0.000 1.187 316 L CA 1.106 55.946 54.840 -0.000 0.000 0.895 316 L CB 0.594 42.652 42.059 -0.000 0.000 1.147 316 L HN 0.192 nan 8.230 nan 0.000 0.483 317 Q N 3.456 123.262 119.800 0.010 0.000 2.378 317 Q HA 0.223 4.562 4.340 -0.001 0.000 0.229 317 Q C 0.066 176.088 176.000 0.037 0.000 0.882 317 Q CA 0.115 55.929 55.803 0.018 0.000 0.936 317 Q CB 0.866 29.610 28.738 0.010 0.000 1.092 317 Q HN 0.572 nan 8.270 nan 0.000 0.535 318 R N 0.841 121.363 120.500 0.036 0.000 2.512 318 R HA 0.354 4.693 4.340 -0.001 0.000 0.291 318 R C -2.183 174.163 176.300 0.077 0.000 1.097 318 R CA -0.460 55.682 56.100 0.070 0.000 0.940 318 R CB 1.138 31.449 30.300 0.018 0.000 1.198 318 R HN -0.044 nan 8.270 nan 0.000 0.429 319 L N 5.231 126.559 121.223 0.174 0.000 2.356 319 L HA 0.630 4.970 4.340 -0.001 0.000 0.277 319 L C -1.784 175.366 176.870 0.466 0.000 0.996 319 L CA -0.480 54.485 54.840 0.210 0.000 0.822 319 L CB 1.201 43.344 42.059 0.140 0.000 1.256 319 L HN 0.563 nan 8.230 nan 0.000 0.413 320 W N 5.884 127.225 121.300 0.068 0.000 2.532 320 W HA 0.758 5.417 4.660 -0.002 0.000 0.321 320 W C -0.742 175.849 176.519 0.121 0.000 1.037 320 W CA -1.055 56.380 57.345 0.150 0.000 1.220 320 W CB 1.633 31.227 29.460 0.223 0.000 1.361 320 W HN 0.418 nan 8.180 nan 0.000 0.468 321 V N 1.047 121.159 119.914 0.330 0.000 3.178 321 V HA 0.511 4.631 4.120 -0.001 0.000 0.302 321 V C -0.347 175.869 176.094 0.204 0.000 1.262 321 V CA -1.679 60.744 62.300 0.206 0.000 1.030 321 V CB 1.320 33.215 31.823 0.119 0.000 1.074 321 V HN 0.333 nan 8.190 nan 0.000 0.438 322 L N 1.991 123.304 121.223 0.149 0.000 2.461 322 L HA 0.195 4.534 4.340 -0.001 0.000 0.272 322 L C 1.656 178.524 176.870 -0.004 0.000 1.197 322 L CA 0.038 54.926 54.840 0.079 0.000 0.836 322 L CB 0.521 42.632 42.059 0.087 0.000 1.105 322 L HN 1.074 nan 8.230 nan 0.000 0.477 323 D N 0.485 120.806 120.400 -0.130 0.000 2.322 323 D HA -0.303 4.337 4.640 -0.001 0.000 0.210 323 D C 1.553 177.793 176.300 -0.099 0.000 0.983 323 D CA 1.494 55.392 54.000 -0.170 0.000 0.902 323 D CB -0.451 40.204 40.800 -0.241 0.000 0.905 323 D HN 0.600 nan 8.370 nan 0.000 0.483 324 Y N 0.036 120.333 120.300 -0.005 0.000 2.446 324 Y HA -0.160 4.389 4.550 -0.001 0.000 0.287 324 Y C 2.461 178.368 175.900 0.012 0.000 1.159 324 Y CA 0.181 58.284 58.100 0.006 0.000 1.297 324 Y CB -0.146 38.323 38.460 0.015 0.000 0.974 324 Y HN 0.085 nan 8.280 nan 0.000 0.557 325 I N 0.230 120.881 120.570 0.135 0.000 2.315 325 I HA -0.211 3.959 4.170 -0.001 0.000 0.248 325 I C 0.630 176.794 176.117 0.079 0.000 1.117 325 I CA 1.528 62.882 61.300 0.091 0.000 1.404 325 I CB -0.229 37.811 38.000 0.066 0.000 1.071 325 I HN 0.387 nan 8.210 nan 0.000 0.419 326 E N -0.186 120.053 120.200 0.065 0.000 9.140 326 E HA -0.227 4.123 4.350 -0.001 0.000 0.500 326 E C 0.066 176.706 176.600 0.066 0.000 1.410 326 E CA 0.583 57.019 56.400 0.060 0.000 2.471 326 E CB -0.611 29.133 29.700 0.073 0.000 1.023 326 E HN 0.231 nan 8.360 nan 0.000 0.270 327 D N -0.206 120.232 120.400 0.063 0.000 2.144 327 D HA -0.062 4.578 4.640 -0.001 0.000 0.200 327 D C 1.706 178.040 176.300 0.057 0.000 0.978 327 D CA 1.858 55.898 54.000 0.066 0.000 0.833 327 D CB -0.273 40.561 40.800 0.057 0.000 0.961 327 D HN 0.463 nan 8.370 nan 0.000 0.470 328 A N 0.296 123.149 122.820 0.055 0.000 1.970 328 A HA 0.150 4.470 4.320 -0.001 0.000 0.216 328 A C 2.290 179.905 177.584 0.051 0.000 1.170 328 A CA 1.487 53.555 52.037 0.052 0.000 0.645 328 A CB -0.653 18.381 19.000 0.057 0.000 0.816 328 A HN 0.278 nan 8.150 nan 0.000 0.447 329 G N -0.536 108.297 108.800 0.055 0.000 2.448 329 G HA2 -0.049 3.911 3.960 -0.001 0.000 0.218 329 G HA3 -0.049 3.911 3.960 -0.001 0.000 0.218 329 G C 1.459 176.380 174.900 0.035 0.000 1.135 329 G CA 0.769 45.895 45.100 0.042 0.000 0.784 329 G HN 0.404 nan 8.290 nan 0.000 0.543 330 L N -0.293 120.959 121.223 0.049 0.000 2.270 330 L HA 0.131 4.471 4.340 -0.001 0.000 0.210 330 L C 2.652 179.543 176.870 0.035 0.000 1.104 330 L CA 0.724 55.595 54.840 0.052 0.000 0.804 330 L CB -0.071 42.036 42.059 0.081 0.000 0.937 330 L HN 0.341 nan 8.230 nan 0.000 0.450 331 E N 0.008 120.227 120.200 0.033 0.000 2.072 331 E HA -0.180 4.169 4.350 -0.001 0.000 0.191 331 E C 2.163 178.772 176.600 0.015 0.000 0.985 331 E CA 1.226 57.640 56.400 0.023 0.000 0.801 331 E CB 0.223 29.938 29.700 0.025 0.000 0.750 331 E HN 0.212 nan 8.360 nan 0.000 0.452 332 V N 1.311 121.233 119.914 0.014 0.000 2.295 332 V HA -0.267 3.852 4.120 -0.001 0.000 0.246 332 V C 2.466 178.557 176.094 -0.004 0.000 1.049 332 V CA 1.572 63.873 62.300 0.002 0.000 1.024 332 V CB -0.616 31.204 31.823 -0.005 0.000 0.648 332 V HN 0.341 nan 8.190 nan 0.000 0.447 333 L N 1.015 122.238 121.223 0.001 0.000 2.011 333 L HA -0.307 4.033 4.340 -0.001 0.000 0.225 333 L C 2.446 179.319 176.870 0.004 0.000 1.084 333 L CA 2.746 57.589 54.840 0.004 0.000 0.791 333 L CB -0.843 41.227 42.059 0.019 0.000 0.898 333 L HN 0.284 nan 8.230 nan 0.000 0.440 334 A N -2.126 120.698 122.820 0.007 0.000 2.070 334 A HA -0.198 4.122 4.320 -0.001 0.000 0.220 334 A C 2.469 180.053 177.584 -0.001 0.000 1.159 334 A CA 1.921 53.960 52.037 0.003 0.000 0.656 334 A CB -0.778 18.224 19.000 0.002 0.000 0.800 334 A HN 0.641 nan 8.150 nan 0.000 0.453 335 S N -0.898 114.800 115.700 -0.002 0.000 2.456 335 S HA -0.072 4.397 4.470 -0.001 0.000 0.224 335 S C 1.842 176.436 174.600 -0.009 0.000 1.035 335 S CA 1.540 59.737 58.200 -0.005 0.000 0.940 335 S CB -0.498 62.700 63.200 -0.004 0.000 0.799 335 S HN 0.660 nan 8.310 nan 0.000 0.508 336 T N -1.829 112.718 114.554 -0.012 0.000 3.037 336 T HA 0.293 4.642 4.350 -0.001 0.000 0.251 336 T C 0.636 175.327 174.700 -0.015 0.000 1.079 336 T CA 0.036 62.125 62.100 -0.018 0.000 1.067 336 T CB -0.501 68.349 68.868 -0.031 0.000 0.948 336 T HN 0.355 nan 8.240 nan 0.000 0.496 337 C N 3.045 122.340 119.300 -0.009 0.000 2.566 337 C HA 0.467 4.927 4.460 -0.001 0.000 0.300 337 C C 1.460 176.450 174.990 -0.000 0.000 1.147 337 C CA -1.124 57.891 59.018 -0.004 0.000 1.644 337 C CB -0.439 27.301 27.740 0.000 0.000 1.691 337 C HN 0.401 nan 8.230 nan 0.000 0.440 338 K N 0.546 120.944 120.400 -0.003 0.000 2.459 338 K HA -0.052 4.268 4.320 -0.001 0.000 0.193 338 K C 0.819 177.420 176.600 0.001 0.000 1.030 338 K CA 0.811 57.097 56.287 -0.001 0.000 1.026 338 K CB 0.281 32.779 32.500 -0.004 0.000 0.809 338 K HN 0.526 nan 8.250 nan 0.000 0.504 339 D N 0.597 120.998 120.400 0.003 0.000 2.340 339 D HA 0.024 4.663 4.640 -0.001 0.000 0.217 339 D C -0.312 175.996 176.300 0.012 0.000 1.081 339 D CA -0.206 53.797 54.000 0.005 0.000 0.842 339 D CB 0.123 40.924 40.800 0.002 0.000 0.934 339 D HN -0.099 nan 8.370 nan 0.000 0.511 340 L N 1.384 122.616 121.223 0.016 0.000 2.628 340 L HA 0.013 4.352 4.340 -0.001 0.000 0.274 340 L C 1.348 178.237 176.870 0.031 0.000 1.209 340 L CA 0.470 55.326 54.840 0.027 0.000 0.930 340 L CB 0.496 42.574 42.059 0.031 0.000 1.183 340 L HN -0.051 nan 8.230 nan 0.000 0.492 341 R N 2.648 123.173 120.500 0.041 0.000 2.175 341 R HA 0.217 4.557 4.340 -0.001 0.000 0.202 341 R C 0.013 176.353 176.300 0.067 0.000 1.018 341 R CA 0.348 56.477 56.100 0.048 0.000 1.029 341 R CB -0.131 30.197 30.300 0.046 0.000 0.959 341 R HN 0.674 nan 8.270 nan 0.000 0.480 342 E N 0.589 120.842 120.200 0.088 0.000 2.291 342 E HA 0.314 4.663 4.350 -0.001 0.000 0.276 342 E C -1.830 174.853 176.600 0.138 0.000 0.896 342 E CA -0.620 55.853 56.400 0.122 0.000 0.774 342 E CB 1.402 31.213 29.700 0.185 0.000 1.227 342 E HN -0.089 nan 8.360 nan 0.000 0.413 343 L N 4.411 125.692 121.223 0.098 0.000 2.376 343 L HA 0.562 4.902 4.340 -0.001 0.000 0.275 343 L C -1.481 175.382 176.870 -0.013 0.000 0.987 343 L CA -0.287 54.602 54.840 0.083 0.000 0.828 343 L CB 1.354 43.449 42.059 0.060 0.000 1.249 343 L HN 0.514 nan 8.230 nan 0.000 0.409 344 R N 4.564 125.025 120.500 -0.065 0.000 2.360 344 R HA 0.678 5.018 4.340 -0.001 0.000 0.318 344 R C -1.377 174.704 176.300 -0.365 0.000 0.950 344 R CA -0.778 55.066 56.100 -0.427 0.000 0.837 344 R CB 1.969 31.668 30.300 -1.002 0.000 1.165 344 R HN 0.472 nan 8.270 nan 0.000 0.458 345 V N 5.084 124.775 119.914 -0.371 0.000 2.357 345 V HA 0.389 4.509 4.120 -0.001 0.000 0.284 345 V C -0.353 175.528 176.094 -0.354 0.000 1.018 345 V CA -0.645 61.488 62.300 -0.278 0.000 0.841 345 V CB 0.668 32.352 31.823 -0.232 0.000 0.991 345 V HN 0.543 nan 8.190 nan 0.000 0.437 346 F N 6.083 125.982 119.950 -0.085 0.000 2.399 346 F HA 0.538 5.064 4.527 -0.001 0.000 0.328 346 F C -1.868 173.754 175.800 -0.297 0.000 1.084 346 F CA -2.495 55.395 58.000 -0.184 0.000 1.053 346 F CB 1.485 40.369 39.000 -0.193 0.000 1.209 346 F HN 0.293 nan 8.300 nan 0.000 0.502 347 P HA 0.058 nan 4.420 nan 0.000 0.282 347 P C 0.181 177.300 177.300 -0.301 0.000 1.274 347 P CA -0.088 62.809 63.100 -0.338 0.000 0.770 347 P CB 1.333 32.736 31.700 -0.495 0.000 0.867 348 S N 2.581 118.072 115.700 -0.348 0.000 2.402 348 S HA -0.104 4.365 4.470 -0.001 0.000 0.229 348 S C 0.648 175.103 174.600 -0.242 0.000 1.021 348 S CA 0.904 58.879 58.200 -0.374 0.000 0.974 348 S CB -0.469 62.213 63.200 -0.862 0.000 0.800 348 S HN 0.486 nan 8.310 nan 0.000 0.484 349 E N 1.465 121.519 120.200 -0.243 0.000 3.666 349 E HA 0.220 4.570 4.350 -0.001 0.000 0.230 349 E C -2.350 174.097 176.600 -0.255 0.000 1.235 349 E CA -1.344 54.950 56.400 -0.176 0.000 1.096 349 E CB 1.510 31.153 29.700 -0.094 0.000 1.287 349 E HN 0.449 nan 8.360 nan 0.000 0.406 350 P HA -0.033 nan 4.420 nan 0.000 0.239 350 P C 0.553 177.456 177.300 -0.661 0.000 1.184 350 P CA 0.672 63.403 63.100 -0.614 0.000 0.760 350 P CB -0.090 31.060 31.700 -0.915 0.000 0.884 351 F N -1.154 118.757 119.950 -0.065 0.000 2.682 351 F HA 0.200 4.727 4.527 0.000 0.000 0.308 351 F C 1.130 176.906 175.800 -0.040 0.000 1.093 351 F CA -0.445 57.525 58.000 -0.050 0.000 1.244 351 F CB 0.629 39.602 39.000 -0.044 0.000 1.052 351 F HN -0.285 nan 8.300 nan 0.000 0.573 352 V N 1.058 121.007 119.914 0.058 0.000 2.547 352 V HA 0.223 4.343 4.120 -0.001 0.000 0.299 352 V C 0.827 176.918 176.094 -0.005 0.000 1.040 352 V CA -0.451 61.868 62.300 0.032 0.000 0.913 352 V CB 2.019 33.856 31.823 0.024 0.000 0.992 352 V HN 0.313 nan 8.190 nan 0.000 0.449 353 M N 2.769 122.368 119.600 -0.002 0.000 2.064 353 M HA 0.027 4.507 4.480 -0.001 0.000 0.260 353 M C 0.528 176.813 176.300 -0.026 0.000 1.073 353 M CA 1.353 56.642 55.300 -0.017 0.000 1.124 353 M CB 0.069 32.661 32.600 -0.014 0.000 1.326 353 M HN 0.759 nan 8.290 nan 0.000 0.410 354 E N 1.313 121.501 120.200 -0.019 0.000 2.415 354 E HA 0.078 4.428 4.350 -0.001 0.000 0.263 354 E C -2.275 174.307 176.600 -0.030 0.000 0.995 354 E CA -1.398 54.989 56.400 -0.022 0.000 0.915 354 E CB -0.356 29.337 29.700 -0.013 0.000 0.951 354 E HN 0.154 nan 8.360 nan 0.000 0.449 355 P HA -0.047 nan 4.420 nan 0.000 0.261 355 P C 0.035 177.320 177.300 -0.025 0.000 1.183 355 P CA 0.146 63.219 63.100 -0.046 0.000 0.761 355 P CB 0.366 32.033 31.700 -0.054 0.000 0.785 356 N N 2.303 120.988 118.700 -0.024 0.000 2.203 356 N HA 0.087 4.826 4.740 -0.001 0.000 0.207 356 N C -0.494 175.035 175.510 0.031 0.000 1.130 356 N CA 0.019 53.076 53.050 0.012 0.000 0.861 356 N CB 0.415 38.918 38.487 0.027 0.000 1.005 356 N HN 0.205 nan 8.380 nan 0.000 0.507 357 V N 0.332 120.245 119.914 -0.000 0.000 2.969 357 V HA 0.582 4.702 4.120 -0.001 0.000 0.304 357 V C -0.983 175.110 176.094 -0.001 0.000 1.192 357 V CA -0.994 61.319 62.300 0.022 0.000 0.962 357 V CB 1.979 33.785 31.823 -0.028 0.000 1.045 357 V HN 0.230 nan 8.190 nan 0.000 0.428 358 A N 5.484 128.316 122.820 0.021 0.000 3.063 358 A HA 0.596 4.916 4.320 -0.001 0.000 0.263 358 A C -0.559 177.031 177.584 0.010 0.000 1.736 358 A CA 0.243 52.286 52.037 0.011 0.000 1.408 358 A CB -0.699 18.317 19.000 0.025 0.000 1.108 358 A HN 0.873 nan 8.150 nan 0.000 0.621 359 L N 1.852 123.066 121.223 -0.014 0.000 2.406 359 L HA 0.783 5.123 4.340 -0.001 0.000 0.272 359 L C -0.037 176.829 176.870 -0.007 0.000 0.980 359 L CA 0.330 55.165 54.840 -0.008 0.000 0.831 359 L CB 2.199 44.217 42.059 -0.069 0.000 1.253 359 L HN 0.521 nan 8.230 nan 0.000 0.406 360 T N -0.433 114.162 114.554 0.068 0.000 2.645 360 T HA 0.391 4.741 4.350 -0.001 0.000 0.300 360 T C 0.617 175.421 174.700 0.174 0.000 1.210 360 T CA 0.026 62.171 62.100 0.074 0.000 1.034 360 T CB 0.865 69.739 68.868 0.010 0.000 1.537 360 T HN 0.517 nan 8.240 nan 0.000 0.492 361 E N 0.478 120.762 120.200 0.140 0.000 2.147 361 E HA -0.210 4.140 4.350 -0.001 0.000 0.199 361 E C 1.934 178.571 176.600 0.063 0.000 1.005 361 E CA 1.545 58.010 56.400 0.109 0.000 0.810 361 E CB -0.527 29.233 29.700 0.099 0.000 0.736 361 E HN 0.510 nan 8.360 nan 0.000 0.460 362 Q N 0.659 120.505 119.800 0.077 0.000 2.030 362 Q HA -0.079 4.260 4.340 -0.001 0.000 0.204 362 Q C 2.355 178.380 176.000 0.042 0.000 0.986 362 Q CA 2.187 58.020 55.803 0.051 0.000 0.843 362 Q CB -1.125 27.646 28.738 0.055 0.000 0.904 362 Q HN 0.419 nan 8.270 nan 0.000 0.420 363 G N 0.616 109.469 108.800 0.088 0.000 2.469 363 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.220 363 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.220 363 G C 1.487 176.394 174.900 0.012 0.000 1.136 363 G CA 0.845 46.000 45.100 0.091 0.000 0.759 363 G HN 0.404 nan 8.290 nan 0.000 0.562 364 L N 0.332 121.484 121.223 -0.117 0.000 2.072 364 L HA -0.047 4.293 4.340 -0.001 0.000 0.205 364 L C 2.995 179.770 176.870 -0.158 0.000 1.079 364 L CA 0.750 55.390 54.840 -0.333 0.000 0.752 364 L CB -0.213 41.413 42.059 -0.720 0.000 0.906 364 L HN 0.147 nan 8.230 nan 0.000 0.436 365 V N -0.553 119.302 119.914 -0.098 0.000 2.252 365 V HA -0.336 3.784 4.120 -0.001 0.000 0.249 365 V C 2.599 178.671 176.094 -0.038 0.000 1.056 365 V CA 2.042 64.307 62.300 -0.057 0.000 1.022 365 V CB -0.741 31.060 31.823 -0.036 0.000 0.641 365 V HN 0.435 nan 8.190 nan 0.000 0.445 366 S N -0.087 115.600 115.700 -0.021 0.000 2.389 366 S HA -0.249 4.221 4.470 -0.001 0.000 0.229 366 S C 1.978 176.570 174.600 -0.014 0.000 1.048 366 S CA 1.974 60.168 58.200 -0.009 0.000 1.117 366 S CB -0.517 62.687 63.200 0.007 0.000 1.020 366 S HN 0.364 nan 8.310 nan 0.000 0.430 367 V N 1.277 121.181 119.914 -0.016 0.000 2.469 367 V HA -0.154 3.965 4.120 -0.001 0.000 0.251 367 V C 2.412 178.494 176.094 -0.020 0.000 1.064 367 V CA 1.728 64.020 62.300 -0.014 0.000 1.066 367 V CB -0.809 31.007 31.823 -0.012 0.000 0.667 367 V HN 0.421 nan 8.190 nan 0.000 0.461 368 S N -0.454 115.226 115.700 -0.034 0.000 2.383 368 S HA -0.146 4.323 4.470 -0.001 0.000 0.229 368 S C 1.812 176.396 174.600 -0.027 0.000 1.030 368 S CA 1.787 59.968 58.200 -0.032 0.000 1.002 368 S CB -0.223 62.950 63.200 -0.047 0.000 0.829 368 S HN 0.566 nan 8.310 nan 0.000 0.467 369 M N -0.479 119.106 119.600 -0.025 0.000 2.516 369 M HA 0.178 4.657 4.480 -0.001 0.000 0.259 369 M C 2.056 178.346 176.300 -0.016 0.000 1.146 369 M CA 0.698 55.985 55.300 -0.023 0.000 1.122 369 M CB -0.039 32.547 32.600 -0.023 0.000 1.341 369 M HN 0.345 nan 8.290 nan 0.000 0.478 370 G N -0.516 108.276 108.800 -0.012 0.000 2.887 370 G HA2 0.061 4.020 3.960 -0.001 0.000 0.211 370 G HA3 0.061 4.020 3.960 -0.001 0.000 0.211 370 G C 0.171 175.068 174.900 -0.006 0.000 1.152 370 G CA -0.012 45.083 45.100 -0.008 0.000 0.769 370 G HN 0.420 nan 8.290 nan 0.000 0.541 371 C N 2.145 121.442 119.300 -0.005 0.000 2.787 371 C HA 0.350 4.810 4.460 -0.001 0.000 0.265 371 C C -1.262 173.727 174.990 -0.000 0.000 1.190 371 C CA -1.429 57.590 59.018 0.000 0.000 1.616 371 C CB 1.228 28.972 27.740 0.007 0.000 1.732 371 C HN 0.213 nan 8.230 nan 0.000 0.433 372 P HA -0.115 nan 4.420 nan 0.000 0.226 372 P C 0.771 178.070 177.300 -0.002 0.000 1.146 372 P CA 1.333 64.429 63.100 -0.006 0.000 0.773 372 P CB 0.200 31.895 31.700 -0.008 0.000 0.772 373 K N -0.930 119.473 120.400 0.004 0.000 2.399 373 K HA 0.147 4.467 4.320 -0.001 0.000 0.204 373 K C 0.354 176.965 176.600 0.018 0.000 1.023 373 K CA -0.561 55.731 56.287 0.009 0.000 1.127 373 K CB 0.013 32.518 32.500 0.009 0.000 0.856 373 K HN 0.039 nan 8.250 nan 0.000 0.514 374 L N 2.235 123.470 121.223 0.020 0.000 2.418 374 L HA 0.019 4.359 4.340 -0.001 0.000 0.274 374 L C 0.726 177.620 176.870 0.040 0.000 1.135 374 L CA 0.882 55.742 54.840 0.032 0.000 0.870 374 L CB 0.408 42.484 42.059 0.029 0.000 1.154 374 L HN 0.259 nan 8.230 nan 0.000 0.462 375 E N 1.592 121.824 120.200 0.053 0.000 2.571 375 E HA 0.189 4.539 4.350 -0.001 0.000 0.222 375 E C -0.065 176.586 176.600 0.085 0.000 0.904 375 E CA -0.213 56.223 56.400 0.059 0.000 1.157 375 E CB 0.459 30.186 29.700 0.045 0.000 1.158 375 E HN 0.437 nan 8.360 nan 0.000 0.540 376 S N 0.849 116.599 115.700 0.084 0.000 2.779 376 S HA 0.498 4.968 4.470 -0.001 0.000 0.293 376 S C -1.420 173.214 174.600 0.058 0.000 1.150 376 S CA -0.520 57.730 58.200 0.084 0.000 1.057 376 S CB 1.605 64.857 63.200 0.086 0.000 1.021 376 S HN 0.105 nan 8.310 nan 0.000 0.485 377 V N 5.601 125.531 119.914 0.025 0.000 2.577 377 V HA 0.658 4.777 4.120 -0.001 0.000 0.303 377 V C -1.027 174.935 176.094 -0.220 0.000 1.042 377 V CA -0.725 61.523 62.300 -0.087 0.000 0.872 377 V CB 1.698 33.464 31.823 -0.095 0.000 0.998 377 V HN 0.793 nan 8.190 nan 0.000 0.423 378 L N 5.709 126.788 121.223 -0.240 0.000 2.381 378 L HA 0.690 5.029 4.340 -0.001 0.000 0.274 378 L C -1.682 175.010 176.870 -0.297 0.000 0.988 378 L CA -0.382 54.253 54.840 -0.342 0.000 0.824 378 L CB 1.555 43.370 42.059 -0.408 0.000 1.263 378 L HN 0.633 nan 8.230 nan 0.000 0.410 379 Y N 4.873 124.839 120.300 -0.556 0.000 2.361 379 Y HA 0.583 5.133 4.550 -0.001 0.000 0.328 379 Y C -1.591 173.999 175.900 -0.516 0.000 1.044 379 Y CA -0.740 57.105 58.100 -0.425 0.000 1.085 379 Y CB 1.450 39.708 38.460 -0.338 0.000 1.194 379 Y HN 0.504 nan 8.280 nan 0.000 0.438 380 F N 5.741 125.409 119.950 -0.469 0.000 2.385 380 F HA 0.575 5.101 4.527 -0.001 0.000 0.360 380 F C 0.281 175.804 175.800 -0.463 0.000 1.122 380 F CA -0.672 57.108 58.000 -0.365 0.000 1.090 380 F CB 0.646 39.467 39.000 -0.298 0.000 1.150 380 F HN 0.615 nan 8.300 nan 0.000 0.472 381 C N 1.325 120.543 119.300 -0.136 0.000 3.213 381 C HA 0.661 5.121 4.460 -0.001 0.000 0.319 381 C C 0.780 175.745 174.990 -0.043 0.000 1.386 381 C CA -1.179 57.768 59.018 -0.118 0.000 1.494 381 C CB 2.128 29.838 27.740 -0.049 0.000 1.905 381 C HN 0.908 nan 8.230 nan 0.000 0.456 382 R N 0.607 121.073 120.500 -0.056 0.000 2.334 382 R HA 0.258 4.598 4.340 -0.001 0.000 0.216 382 R C 0.427 176.699 176.300 -0.046 0.000 0.905 382 R CA 0.219 56.290 56.100 -0.048 0.000 1.064 382 R CB 0.022 30.283 30.300 -0.064 0.000 1.046 382 R HN 0.877 nan 8.270 nan 0.000 0.508 383 Q N -0.208 119.568 119.800 -0.039 0.000 2.590 383 Q HA 0.596 4.936 4.340 -0.001 0.000 0.295 383 Q C -1.441 174.610 176.000 0.085 0.000 0.973 383 Q CA -1.171 54.614 55.803 -0.030 0.000 0.768 383 Q CB 1.777 30.331 28.738 -0.306 0.000 1.479 383 Q HN -0.056 nan 8.270 nan 0.000 0.419 384 M N 0.656 120.383 119.600 0.212 0.000 2.895 384 M HA 0.538 5.018 4.480 -0.001 0.000 0.271 384 M C -2.048 174.370 176.300 0.197 0.000 1.174 384 M CA 0.222 55.634 55.300 0.186 0.000 0.816 384 M CB 2.375 35.047 32.600 0.121 0.000 1.647 384 M HN 0.970 nan 8.290 nan 0.000 0.506 385 T N -0.935 113.660 114.554 0.067 0.000 2.883 385 T HA 0.519 4.868 4.350 -0.001 0.000 0.301 385 T C 0.275 174.922 174.700 -0.088 0.000 1.158 385 T CA -0.817 61.269 62.100 -0.023 0.000 1.007 385 T CB 1.236 70.057 68.868 -0.079 0.000 1.186 385 T HN 0.634 nan 8.240 nan 0.000 0.499 386 N N 0.906 119.549 118.700 -0.096 0.000 2.060 386 N HA -0.185 4.555 4.740 -0.001 0.000 0.195 386 N C 2.214 177.646 175.510 -0.130 0.000 1.028 386 N CA 1.956 54.933 53.050 -0.122 0.000 0.861 386 N CB -0.862 37.576 38.487 -0.082 0.000 1.029 386 N HN 0.849 nan 8.380 nan 0.000 0.428 387 A N 0.945 123.701 122.820 -0.106 0.000 1.883 387 A HA -0.019 4.301 4.320 -0.001 0.000 0.217 387 A C 2.412 179.938 177.584 -0.098 0.000 1.186 387 A CA 2.201 54.180 52.037 -0.097 0.000 0.624 387 A CB -0.953 17.998 19.000 -0.083 0.000 0.822 387 A HN 0.350 nan 8.150 nan 0.000 0.444 388 A N -0.439 122.330 122.820 -0.085 0.000 1.940 388 A HA -0.056 4.263 4.320 -0.001 0.000 0.219 388 A C 2.182 179.691 177.584 -0.125 0.000 1.176 388 A CA 1.560 53.550 52.037 -0.078 0.000 0.631 388 A CB -0.589 18.389 19.000 -0.037 0.000 0.814 388 A HN 0.484 nan 8.150 nan 0.000 0.446 389 L N -0.655 120.459 121.223 -0.181 0.000 2.056 389 L HA -0.122 4.218 4.340 -0.001 0.000 0.207 389 L C 2.381 179.104 176.870 -0.245 0.000 1.078 389 L CA 1.032 55.714 54.840 -0.264 0.000 0.749 389 L CB -0.420 41.387 42.059 -0.420 0.000 0.901 389 L HN 0.362 nan 8.230 nan 0.000 0.433 390 I N -0.661 119.786 120.570 -0.205 0.000 2.454 390 I HA -0.248 3.922 4.170 -0.001 0.000 0.254 390 I C 2.217 178.256 176.117 -0.131 0.000 1.156 390 I CA 1.270 62.461 61.300 -0.183 0.000 1.433 390 I CB -0.330 37.579 38.000 -0.151 0.000 1.082 390 I HN 0.263 nan 8.210 nan 0.000 0.432 391 T N 0.540 115.026 114.554 -0.113 0.000 3.009 391 T HA 0.107 4.457 4.350 -0.001 0.000 0.258 391 T C 1.882 176.528 174.700 -0.090 0.000 1.063 391 T CA 0.662 62.712 62.100 -0.082 0.000 1.139 391 T CB 0.074 68.901 68.868 -0.068 0.000 0.890 391 T HN 0.198 nan 8.240 nan 0.000 0.471 392 I N 1.299 121.796 120.570 -0.121 0.000 2.252 392 I HA -0.113 4.057 4.170 -0.001 0.000 0.245 392 I C 2.781 178.799 176.117 -0.164 0.000 1.102 392 I CA 0.983 62.202 61.300 -0.135 0.000 1.385 392 I CB -0.281 37.629 38.000 -0.150 0.000 1.064 392 I HN 0.183 nan 8.210 nan 0.000 0.414 393 A N 0.499 123.204 122.820 -0.191 0.000 1.872 393 A HA -0.179 4.140 4.320 -0.001 0.000 0.214 393 A C 2.344 179.905 177.584 -0.039 0.000 1.187 393 A CA 1.246 53.184 52.037 -0.165 0.000 0.614 393 A CB -0.568 18.305 19.000 -0.211 0.000 0.826 393 A HN 0.212 nan 8.150 nan 0.000 0.442 394 R N -0.011 120.491 120.500 0.004 0.000 2.134 394 R HA -0.192 4.147 4.340 -0.001 0.000 0.248 394 R C 1.575 177.844 176.300 -0.051 0.000 1.143 394 R CA 2.156 58.252 56.100 -0.008 0.000 0.957 394 R CB -0.226 30.064 30.300 -0.017 0.000 0.867 394 R HN 0.571 nan 8.270 nan 0.000 0.441 395 N N -0.367 118.297 118.700 -0.059 0.000 2.416 395 N HA -0.031 4.709 4.740 -0.001 0.000 0.177 395 N C 0.124 175.604 175.510 -0.050 0.000 1.036 395 N CA 0.728 53.747 53.050 -0.052 0.000 0.901 395 N CB 0.428 38.886 38.487 -0.047 0.000 0.976 395 N HN 0.069 nan 8.380 nan 0.000 0.444 396 R N 0.871 121.336 120.500 -0.058 0.000 2.881 396 R HA 0.226 4.566 4.340 -0.001 0.000 0.331 396 R C -1.934 174.335 176.300 -0.052 0.000 1.207 396 R CA -1.178 54.893 56.100 -0.049 0.000 1.265 396 R CB 0.849 31.123 30.300 -0.044 0.000 1.351 396 R HN 0.124 nan 8.270 nan 0.000 0.613 397 P HA -0.106 nan 4.420 nan 0.000 0.231 397 P C 0.330 177.614 177.300 -0.026 0.000 1.158 397 P CA 0.910 63.986 63.100 -0.041 0.000 0.763 397 P CB 0.192 31.857 31.700 -0.057 0.000 0.805 398 N N -1.227 117.461 118.700 -0.020 0.000 2.336 398 N HA 0.022 4.762 4.740 -0.001 0.000 0.189 398 N C 0.641 176.155 175.510 0.007 0.000 1.113 398 N CA -0.219 52.827 53.050 -0.006 0.000 0.858 398 N CB -0.648 37.837 38.487 -0.004 0.000 0.970 398 N HN 0.084 nan 8.380 nan 0.000 0.471 399 M N 0.815 120.416 119.600 0.002 0.000 2.252 399 M HA 0.011 4.491 4.480 -0.001 0.000 0.329 399 M C 0.907 177.233 176.300 0.044 0.000 1.101 399 M CA 0.770 56.088 55.300 0.030 0.000 1.117 399 M CB 0.687 33.287 32.600 0.000 0.000 1.563 399 M HN 0.025 nan 8.290 nan 0.000 0.445 400 T N 2.878 117.477 114.554 0.074 0.000 3.028 400 T HA 0.381 4.731 4.350 -0.001 0.000 0.250 400 T C -0.374 174.382 174.700 0.094 0.000 0.979 400 T CA 0.116 62.258 62.100 0.069 0.000 1.004 400 T CB 0.365 69.266 68.868 0.056 0.000 1.120 400 T HN 0.629 nan 8.240 nan 0.000 0.482 401 R N 0.568 121.143 120.500 0.125 0.000 2.569 401 R HA 0.418 4.758 4.340 -0.001 0.000 0.293 401 R C -2.173 174.239 176.300 0.187 0.000 1.186 401 R CA -0.397 55.778 56.100 0.126 0.000 0.956 401 R CB 1.284 31.633 30.300 0.082 0.000 1.196 401 R HN 0.119 nan 8.270 nan 0.000 0.444 402 F N 2.949 122.912 119.950 0.022 0.000 2.500 402 F HA 0.501 5.027 4.527 -0.002 0.000 0.349 402 F C -0.658 175.158 175.800 0.027 0.000 1.127 402 F CA -0.521 57.492 58.000 0.022 0.000 0.998 402 F CB 1.076 40.103 39.000 0.045 0.000 1.237 402 F HN 0.233 nan 8.300 nan 0.000 0.439 403 R N 6.114 126.355 120.500 -0.432 0.000 2.422 403 R HA 0.599 4.939 4.340 -0.001 0.000 0.307 403 R C -1.827 174.179 176.300 -0.490 0.000 1.004 403 R CA -0.842 55.074 56.100 -0.307 0.000 0.882 403 R CB 1.986 32.160 30.300 -0.209 0.000 1.164 403 R HN 0.659 nan 8.270 nan 0.000 0.489 404 L N 3.340 124.353 121.223 -0.350 0.000 2.406 404 L HA 0.497 4.837 4.340 -0.001 0.000 0.270 404 L C -1.442 175.329 176.870 -0.166 0.000 0.982 404 L CA -0.495 54.178 54.840 -0.279 0.000 0.843 404 L CB 1.573 43.549 42.059 -0.139 0.000 1.225 404 L HN 0.759 nan 8.230 nan 0.000 0.412 405 C N 6.928 126.020 119.300 -0.345 0.000 2.264 405 C HA 0.603 5.063 4.460 -0.001 0.000 0.322 405 C C 0.104 175.017 174.990 -0.129 0.000 1.210 405 C CA -0.771 58.061 59.018 -0.310 0.000 1.539 405 C CB -0.770 26.546 27.740 -0.706 0.000 2.167 405 C HN 0.802 nan 8.230 nan 0.000 0.463 406 I N 7.682 128.250 120.570 -0.003 0.000 2.371 406 I HA 0.186 4.356 4.170 -0.001 0.000 0.290 406 I C 1.396 177.530 176.117 0.029 0.000 1.028 406 I CA -0.230 61.091 61.300 0.034 0.000 1.345 406 I CB 1.089 39.136 38.000 0.077 0.000 1.407 406 I HN 0.616 nan 8.210 nan 0.000 0.501 407 I N 3.087 123.669 120.570 0.020 0.000 2.252 407 I HA -0.123 4.046 4.170 -0.001 0.000 0.245 407 I C 1.235 177.342 176.117 -0.017 0.000 1.102 407 I CA 0.998 62.302 61.300 0.007 0.000 1.385 407 I CB -0.368 37.618 38.000 -0.022 0.000 1.064 407 I HN 0.646 nan 8.210 nan 0.000 0.414 408 E N 2.432 122.617 120.200 -0.023 0.000 2.220 408 E HA 0.037 4.387 4.350 -0.001 0.000 0.272 408 E C -1.508 175.053 176.600 -0.065 0.000 1.099 408 E CA -1.797 54.575 56.400 -0.047 0.000 0.907 408 E CB 0.784 30.465 29.700 -0.033 0.000 1.022 408 E HN 0.016 nan 8.360 nan 0.000 0.428 409 P HA -0.240 nan 4.420 nan 0.000 0.222 409 P C -0.520 176.713 177.300 -0.113 0.000 1.157 409 P CA 1.937 64.889 63.100 -0.246 0.000 0.905 409 P CB 0.126 31.352 31.700 -0.790 0.000 0.792 410 K N -1.759 118.593 120.400 -0.079 0.000 3.084 410 K HA 0.508 4.827 4.320 -0.001 0.000 0.210 410 K C -0.269 176.353 176.600 0.037 0.000 1.137 410 K CA -0.486 55.806 56.287 0.009 0.000 1.010 410 K CB 0.842 33.356 32.500 0.024 0.000 0.806 410 K HN -0.029 nan 8.250 nan 0.000 0.460 411 A N 3.308 126.151 122.820 0.039 0.000 2.537 411 A HA 0.133 4.452 4.320 -0.001 0.000 0.260 411 A C -1.862 175.774 177.584 0.087 0.000 1.082 411 A CA -0.613 51.457 52.037 0.056 0.000 0.765 411 A CB -0.375 18.657 19.000 0.054 0.000 1.019 411 A HN 0.167 nan 8.150 nan 0.000 0.507 412 P HA 0.075 nan 4.420 nan 0.000 0.286 412 P C -0.323 177.041 177.300 0.106 0.000 1.293 412 P CA -0.601 62.552 63.100 0.089 0.000 0.770 412 P CB 0.411 32.151 31.700 0.068 0.000 1.206 413 D N -0.249 120.196 120.400 0.075 0.000 2.487 413 D HA -0.105 4.535 4.640 -0.001 0.000 0.243 413 D C 0.651 176.976 176.300 0.042 0.000 1.154 413 D CA 0.211 54.237 54.000 0.043 0.000 0.876 413 D CB 0.205 40.992 40.800 -0.021 0.000 1.161 413 D HN 0.370 nan 8.370 nan 0.000 0.478 414 Y N 2.531 122.838 120.300 0.012 0.000 2.523 414 Y HA 0.210 4.759 4.550 -0.002 0.000 0.279 414 Y C 1.333 177.238 175.900 0.007 0.000 1.139 414 Y CA 0.068 58.174 58.100 0.011 0.000 1.296 414 Y CB -0.026 38.441 38.460 0.011 0.000 1.045 414 Y HN 0.307 nan 8.280 nan 0.000 0.538 415 L N -0.677 120.189 121.223 -0.595 0.000 2.554 415 L HA 0.193 4.532 4.340 -0.001 0.000 0.225 415 L C 1.371 178.123 176.870 -0.197 0.000 1.104 415 L CA 0.839 55.406 54.840 -0.454 0.000 0.866 415 L CB 0.409 42.134 42.059 -0.557 0.000 1.047 415 L HN 0.313 nan 8.230 nan 0.000 0.468 416 T N -2.156 112.314 114.554 -0.140 0.000 3.491 416 T HA 0.224 4.574 4.350 -0.001 0.000 0.284 416 T C 0.711 175.387 174.700 -0.040 0.000 0.905 416 T CA -0.057 61.990 62.100 -0.087 0.000 1.017 416 T CB 0.507 69.314 68.868 -0.102 0.000 1.202 416 T HN 0.031 nan 8.240 nan 0.000 0.518 417 L N 1.209 122.417 121.223 -0.025 0.000 4.696 417 L HA -0.129 4.211 4.340 -0.001 0.000 0.398 417 L C -0.041 176.841 176.870 0.020 0.000 0.971 417 L CA 0.320 55.166 54.840 0.010 0.000 1.427 417 L CB -0.935 41.130 42.059 0.010 0.000 1.965 417 L HN 0.351 nan 8.230 nan 0.000 0.593 418 E N 0.655 120.863 120.200 0.014 0.000 2.322 418 E HA 0.398 4.748 4.350 -0.001 0.000 0.257 418 E C -2.196 174.434 176.600 0.050 0.000 1.155 418 E CA -1.839 54.579 56.400 0.030 0.000 0.936 418 E CB 0.262 29.975 29.700 0.022 0.000 1.130 418 E HN -0.052 nan 8.360 nan 0.000 0.465 419 P HA 0.049 nan 4.420 nan 0.000 0.270 419 P C 0.268 177.628 177.300 0.100 0.000 1.223 419 P CA 0.105 63.259 63.100 0.091 0.000 0.785 419 P CB 0.412 32.168 31.700 0.095 0.000 0.923 420 L N 1.076 122.387 121.223 0.146 0.000 2.693 420 L HA -0.036 4.303 4.340 -0.001 0.000 0.242 420 L C 1.099 178.093 176.870 0.207 0.000 1.157 420 L CA 0.427 55.361 54.840 0.157 0.000 0.929 420 L CB -0.749 41.457 42.059 0.245 0.000 1.103 420 L HN 0.326 nan 8.230 nan 0.000 0.430 421 D N 1.319 121.831 120.400 0.187 0.000 2.106 421 D HA -0.245 4.395 4.640 -0.001 0.000 0.191 421 D C 2.194 178.671 176.300 0.295 0.000 0.997 421 D CA 1.681 55.820 54.000 0.232 0.000 0.834 421 D CB -0.087 40.807 40.800 0.157 0.000 0.956 421 D HN 0.443 nan 8.370 nan 0.000 0.448 422 I N -1.244 119.431 120.570 0.176 0.000 2.493 422 I HA -0.009 4.161 4.170 -0.001 0.000 0.254 422 I C 2.109 178.169 176.117 -0.095 0.000 1.160 422 I CA 1.528 62.854 61.300 0.043 0.000 1.445 422 I CB -1.304 36.683 38.000 -0.022 0.000 1.086 422 I HN -0.113 nan 8.210 nan 0.000 0.433 423 G N 1.673 110.404 108.800 -0.114 0.000 2.433 423 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.216 423 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.216 423 G C 1.450 176.146 174.900 -0.341 0.000 1.186 423 G CA 0.761 45.690 45.100 -0.286 0.000 0.779 423 G HN 0.426 nan 8.290 nan 0.000 0.543 424 F N 1.648 121.577 119.950 -0.035 0.000 2.171 424 F HA 0.015 4.542 4.527 0.000 0.000 0.300 424 F C 2.942 178.700 175.800 -0.070 0.000 1.090 424 F CA 0.725 58.702 58.000 -0.038 0.000 1.293 424 F CB -0.501 38.502 39.000 0.006 0.000 1.013 424 F HN 0.209 nan 8.300 nan 0.000 0.486 425 G N 0.062 108.921 108.800 0.099 0.000 2.491 425 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.218 425 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.218 425 G C 1.906 176.572 174.900 -0.388 0.000 1.180 425 G CA 1.016 45.993 45.100 -0.204 0.000 0.774 425 G HN 0.453 nan 8.290 nan 0.000 0.562 426 A N 0.499 123.070 122.820 -0.415 0.000 1.940 426 A HA -0.004 4.316 4.320 -0.001 0.000 0.219 426 A C 2.344 179.649 177.584 -0.465 0.000 1.176 426 A CA 1.442 53.141 52.037 -0.563 0.000 0.631 426 A CB -0.276 18.439 19.000 -0.475 0.000 0.814 426 A HN 0.306 nan 8.150 nan 0.000 0.446 427 I N -0.840 119.542 120.570 -0.314 0.000 2.315 427 I HA -0.114 4.055 4.170 -0.001 0.000 0.248 427 I C 2.423 178.429 176.117 -0.185 0.000 1.117 427 I CA 1.017 62.137 61.300 -0.300 0.000 1.404 427 I CB -0.811 37.007 38.000 -0.302 0.000 1.071 427 I HN 0.188 nan 8.210 nan 0.000 0.419 428 V N 0.135 119.970 119.914 -0.131 0.000 2.599 428 V HA -0.144 3.975 4.120 -0.001 0.000 0.245 428 V C 2.444 178.497 176.094 -0.069 0.000 1.046 428 V CA 1.262 63.547 62.300 -0.026 0.000 1.065 428 V CB -0.015 31.860 31.823 0.086 0.000 0.703 428 V HN 0.375 nan 8.190 nan 0.000 0.464 429 E N -0.768 119.213 120.200 -0.365 0.000 2.072 429 E HA -0.248 4.101 4.350 -0.001 0.000 0.191 429 E C 2.003 178.523 176.600 -0.135 0.000 0.985 429 E CA 1.436 57.470 56.400 -0.609 0.000 0.801 429 E CB -0.001 29.045 29.700 -1.090 0.000 0.750 429 E HN 0.694 nan 8.360 nan 0.000 0.452 430 H N -1.383 117.546 119.070 -0.236 0.000 2.544 430 H HA 0.156 4.711 4.556 -0.001 0.000 0.269 430 H C 0.167 175.428 175.328 -0.113 0.000 0.970 430 H CA 0.021 55.968 56.048 -0.168 0.000 1.219 430 H CB -0.040 29.616 29.762 -0.177 0.000 1.421 430 H HN 0.073 nan 8.280 nan 0.000 0.555 431 C N 2.180 121.486 119.300 0.009 0.000 2.248 431 C HA 0.254 4.714 4.460 -0.001 0.000 0.320 431 C C 1.552 176.553 174.990 0.018 0.000 1.065 431 C CA -0.934 58.079 59.018 -0.009 0.000 1.558 431 C CB 0.117 27.826 27.740 -0.051 0.000 1.787 431 C HN 0.405 nan 8.230 nan 0.000 0.426 432 K N 0.440 120.856 120.400 0.026 0.000 2.366 432 K HA -0.042 4.277 4.320 -0.001 0.000 0.198 432 K C 0.345 176.970 176.600 0.042 0.000 1.044 432 K CA 0.953 57.267 56.287 0.044 0.000 0.973 432 K CB 0.224 32.749 32.500 0.040 0.000 0.767 432 K HN 0.585 nan 8.250 nan 0.000 0.475 433 D N 0.643 121.062 120.400 0.032 0.000 2.424 433 D HA 0.024 4.663 4.640 -0.001 0.000 0.220 433 D C -0.318 176.006 176.300 0.040 0.000 1.150 433 D CA -0.211 53.809 54.000 0.032 0.000 0.831 433 D CB 0.115 40.929 40.800 0.024 0.000 0.981 433 D HN -0.032 nan 8.370 nan 0.000 0.500 434 L N 2.237 123.487 121.223 0.044 0.000 2.654 434 L HA 0.003 4.343 4.340 -0.001 0.000 0.271 434 L C 1.590 178.500 176.870 0.065 0.000 1.169 434 L CA 0.507 55.383 54.840 0.059 0.000 0.947 434 L CB 0.276 42.371 42.059 0.060 0.000 1.232 434 L HN 0.022 nan 8.230 nan 0.000 0.486 435 R N 3.383 123.922 120.500 0.065 0.000 2.290 435 R HA 0.199 4.538 4.340 -0.001 0.000 0.197 435 R C 0.489 176.831 176.300 0.070 0.000 0.913 435 R CA -0.098 56.038 56.100 0.061 0.000 1.040 435 R CB 0.272 30.600 30.300 0.047 0.000 0.992 435 R HN 0.521 nan 8.270 nan 0.000 0.500 436 R N 0.807 121.358 120.500 0.084 0.000 2.514 436 R HA 0.379 4.719 4.340 -0.001 0.000 0.296 436 R C -2.092 174.282 176.300 0.123 0.000 1.012 436 R CA -0.785 55.368 56.100 0.089 0.000 0.897 436 R CB 1.641 31.984 30.300 0.071 0.000 1.184 436 R HN 0.123 nan 8.270 nan 0.000 0.440 437 L N 3.478 124.772 121.223 0.118 0.000 2.409 437 L HA 0.606 4.945 4.340 -0.001 0.000 0.272 437 L C -1.451 175.475 176.870 0.093 0.000 0.980 437 L CA -0.081 54.841 54.840 0.136 0.000 0.826 437 L CB 2.202 44.336 42.059 0.125 0.000 1.268 437 L HN 0.736 nan 8.230 nan 0.000 0.407 438 S N 5.409 121.147 115.700 0.064 0.000 2.594 438 S HA 0.904 5.374 4.470 -0.001 0.000 0.296 438 S C -0.945 173.607 174.600 -0.079 0.000 1.124 438 S CA -0.755 57.455 58.200 0.017 0.000 1.011 438 S CB 1.624 64.855 63.200 0.052 0.000 1.016 438 S HN 0.653 nan 8.310 nan 0.000 0.485 439 L N 0.098 121.196 121.223 -0.207 0.000 2.257 439 L HA 1.063 5.403 4.340 -0.001 0.000 0.257 439 L C -0.088 176.615 176.870 -0.279 0.000 1.033 439 L CA -0.982 53.546 54.840 -0.520 0.000 0.835 439 L CB 0.490 41.723 42.059 -1.377 0.000 1.398 439 L HN 1.134 nan 8.230 nan 0.000 0.429 440 S N -2.537 113.020 115.700 -0.239 0.000 2.656 440 S HA 0.855 5.325 4.470 -0.001 0.000 0.265 440 S C -0.070 174.611 174.600 0.135 0.000 1.132 440 S CA 0.138 58.345 58.200 0.012 0.000 0.819 440 S CB 0.505 63.729 63.200 0.040 0.000 1.119 440 S HN 2.716 nan 8.310 nan 0.000 0.476 441 G N 0.042 108.928 108.800 0.142 0.000 2.681 441 G HA2 0.137 4.096 3.960 -0.001 0.000 0.220 441 G HA3 0.137 4.096 3.960 -0.001 0.000 0.220 441 G C -0.774 174.215 174.900 0.149 0.000 1.353 441 G CA -0.221 44.972 45.100 0.155 0.000 0.872 441 G HN 1.862 nan 8.290 nan 0.000 0.557 442 L N 0.301 121.608 121.223 0.141 0.000 2.313 442 L HA 0.783 5.122 4.340 -0.001 0.000 0.282 442 L C -0.084 176.869 176.870 0.139 0.000 1.092 442 L CA -0.117 54.797 54.840 0.123 0.000 0.831 442 L CB 0.240 42.358 42.059 0.098 0.000 1.159 442 L HN 0.576 nan 8.230 nan 0.000 0.442 443 L N 4.809 126.117 121.223 0.142 0.000 2.464 443 L HA 0.563 4.903 4.340 -0.001 0.000 0.266 443 L C -0.014 176.963 176.870 0.178 0.000 0.965 443 L CA -0.557 54.366 54.840 0.138 0.000 0.833 443 L CB 2.308 44.425 42.059 0.097 0.000 1.296 443 L HN 0.708 nan 8.230 nan 0.000 0.405 444 T N -3.461 111.185 114.554 0.154 0.000 2.938 444 T HA 0.280 4.629 4.350 -0.001 0.000 0.285 444 T C 0.542 175.403 174.700 0.268 0.000 1.028 444 T CA -0.612 61.598 62.100 0.184 0.000 1.005 444 T CB 1.559 70.499 68.868 0.120 0.000 1.157 444 T HN 0.483 nan 8.240 nan 0.000 0.550 445 D N -0.208 120.362 120.400 0.282 0.000 2.315 445 D HA -0.088 4.551 4.640 -0.001 0.000 0.211 445 D C 1.764 178.235 176.300 0.284 0.000 0.977 445 D CA 1.071 55.298 54.000 0.379 0.000 0.894 445 D CB -0.067 40.883 40.800 0.249 0.000 0.910 445 D HN 0.744 nan 8.370 nan 0.000 0.490 446 K N 0.314 120.761 120.400 0.079 0.000 2.103 446 K HA -0.094 4.225 4.320 -0.001 0.000 0.204 446 K C 1.881 178.171 176.600 -0.517 0.000 1.052 446 K CA 0.991 57.163 56.287 -0.191 0.000 0.945 446 K CB 0.064 32.442 32.500 -0.203 0.000 0.722 446 K HN 0.041 nan 8.250 nan 0.000 0.443 447 V N -0.173 119.549 119.914 -0.319 0.000 2.317 447 V HA -0.262 3.857 4.120 -0.001 0.000 0.251 447 V C 2.072 177.980 176.094 -0.310 0.000 1.065 447 V CA 1.865 63.984 62.300 -0.303 0.000 1.049 447 V CB -1.206 30.397 31.823 -0.366 0.000 0.651 447 V HN 0.181 nan 8.190 nan 0.000 0.450 448 F N 0.981 120.949 119.950 0.031 0.000 2.161 448 F HA -0.130 4.397 4.527 0.000 0.000 0.300 448 F C 2.705 178.539 175.800 0.056 0.000 1.089 448 F CA 2.183 60.238 58.000 0.091 0.000 1.282 448 F CB -0.349 38.734 39.000 0.138 0.000 1.010 448 F HN 0.201 nan 8.300 nan 0.000 0.485 449 E N -0.351 119.888 120.200 0.064 0.000 2.106 449 E HA -0.223 4.127 4.350 -0.001 0.000 0.192 449 E C 2.078 178.641 176.600 -0.062 0.000 0.984 449 E CA 1.293 57.549 56.400 -0.240 0.000 0.806 449 E CB -0.336 29.119 29.700 -0.410 0.000 0.750 449 E HN 0.573 nan 8.360 nan 0.000 0.458 450 Y N 0.124 120.449 120.300 0.042 0.000 2.293 450 Y HA -0.138 4.412 4.550 -0.000 0.000 0.291 450 Y C 2.321 178.310 175.900 0.148 0.000 1.137 450 Y CA 0.241 58.428 58.100 0.145 0.000 1.202 450 Y CB 0.091 38.638 38.460 0.145 0.000 0.990 450 Y HN 0.110 nan 8.280 nan 0.000 0.537 451 I N -0.566 120.140 120.570 0.227 0.000 2.353 451 I HA -0.199 3.971 4.170 -0.001 0.000 0.248 451 I C 2.550 178.748 176.117 0.134 0.000 1.119 451 I CA 1.340 62.745 61.300 0.175 0.000 1.417 451 I CB -0.582 37.492 38.000 0.124 0.000 1.078 451 I HN 0.248 nan 8.210 nan 0.000 0.421 452 G N -0.209 108.649 108.800 0.097 0.000 2.430 452 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.216 452 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.216 452 G C 1.743 176.612 174.900 -0.051 0.000 1.146 452 G CA 1.178 46.300 45.100 0.036 0.000 0.793 452 G HN 0.383 nan 8.290 nan 0.000 0.537 453 T N -1.631 112.851 114.554 -0.119 0.000 2.851 453 T HA 0.001 4.350 4.350 -0.001 0.000 0.262 453 T C 2.016 176.405 174.700 -0.518 0.000 1.043 453 T CA 1.037 62.926 62.100 -0.351 0.000 1.140 453 T CB -0.285 68.321 68.868 -0.436 0.000 0.872 453 T HN 0.334 nan 8.240 nan 0.000 0.446 454 Y N 0.665 120.990 120.300 0.042 0.000 2.507 454 Y HA 0.624 5.174 4.550 0.000 0.000 0.263 454 Y C 2.062 177.980 175.900 0.030 0.000 1.093 454 Y CA -0.147 57.968 58.100 0.026 0.000 1.285 454 Y CB 0.347 38.812 38.460 0.007 0.000 1.115 454 Y HN 0.296 nan 8.280 nan 0.000 0.533 455 A N 0.276 123.186 122.820 0.150 0.000 3.202 455 A HA 0.237 4.557 4.320 -0.001 0.000 0.258 455 A C 1.035 178.667 177.584 0.079 0.000 1.572 455 A CA -0.233 51.877 52.037 0.122 0.000 1.241 455 A CB -0.345 18.728 19.000 0.121 0.000 1.127 455 A HN -0.004 nan 8.150 nan 0.000 0.648 456 K N 0.240 120.680 120.400 0.066 0.000 2.442 456 K HA 0.030 4.350 4.320 -0.001 0.000 0.198 456 K C 1.096 177.722 176.600 0.043 0.000 1.042 456 K CA 0.984 57.296 56.287 0.041 0.000 0.958 456 K CB 0.204 32.724 32.500 0.032 0.000 0.766 456 K HN 0.315 nan 8.250 nan 0.000 0.474 457 K N -0.789 119.642 120.400 0.052 0.000 2.402 457 K HA 0.210 4.530 4.320 -0.001 0.000 0.204 457 K C 0.282 176.912 176.600 0.051 0.000 1.056 457 K CA -0.096 56.219 56.287 0.046 0.000 1.069 457 K CB 0.460 32.987 32.500 0.045 0.000 0.888 457 K HN 0.144 nan 8.250 nan 0.000 0.546 458 M N 1.132 120.768 119.600 0.060 0.000 2.185 458 M HA 0.053 4.533 4.480 -0.001 0.000 0.357 458 M C 0.342 176.681 176.300 0.064 0.000 1.260 458 M CA 0.564 55.904 55.300 0.067 0.000 1.124 458 M CB 0.758 33.406 32.600 0.080 0.000 1.600 458 M HN 0.080 nan 8.290 nan 0.000 0.467 459 E N 3.380 123.618 120.200 0.063 0.000 2.256 459 E HA 0.169 4.519 4.350 -0.001 0.000 0.198 459 E C -0.114 176.526 176.600 0.068 0.000 0.908 459 E CA 0.333 56.769 56.400 0.061 0.000 0.915 459 E CB 0.825 30.557 29.700 0.053 0.000 0.890 459 E HN 0.645 nan 8.360 nan 0.000 0.484 460 M N 1.810 121.452 119.600 0.070 0.000 2.259 460 M HA 0.373 4.853 4.480 -0.001 0.000 0.304 460 M C -2.038 174.317 176.300 0.091 0.000 1.019 460 M CA -0.930 54.415 55.300 0.074 0.000 0.922 460 M CB 1.742 34.374 32.600 0.053 0.000 1.600 460 M HN -0.009 nan 8.290 nan 0.000 0.433 461 L N 3.816 125.104 121.223 0.108 0.000 2.409 461 L HA 0.657 4.997 4.340 -0.001 0.000 0.272 461 L C -1.512 175.453 176.870 0.158 0.000 0.980 461 L CA 0.196 55.114 54.840 0.130 0.000 0.826 461 L CB 2.468 44.614 42.059 0.146 0.000 1.268 461 L HN 0.659 nan 8.230 nan 0.000 0.407 462 S N 3.495 119.302 115.700 0.179 0.000 2.552 462 S HA 0.871 5.340 4.470 -0.001 0.000 0.314 462 S C -1.149 173.596 174.600 0.242 0.000 1.099 462 S CA -0.465 57.887 58.200 0.253 0.000 1.070 462 S CB 1.665 65.051 63.200 0.310 0.000 0.998 462 S HN 0.582 nan 8.310 nan 0.000 0.474 463 V N 2.205 122.299 119.914 0.300 0.000 3.147 463 V HA 0.956 5.075 4.120 -0.001 0.000 0.306 463 V C -1.529 174.686 176.094 0.203 0.000 1.209 463 V CA -0.477 61.973 62.300 0.250 0.000 1.023 463 V CB 2.241 34.258 31.823 0.323 0.000 1.059 463 V HN 0.997 nan 8.190 nan 0.000 0.435 464 A N 3.198 126.077 122.820 0.098 0.000 2.486 464 A HA 0.836 5.155 4.320 -0.001 0.000 0.300 464 A C -0.693 176.877 177.584 -0.024 0.000 1.048 464 A CA -0.358 51.601 52.037 -0.130 0.000 0.696 464 A CB 0.856 19.783 19.000 -0.121 0.000 1.278 464 A HN 1.525 nan 8.150 nan 0.000 0.405 465 F N -0.892 119.068 119.950 0.016 0.000 2.983 465 F HA -0.073 4.454 4.527 -0.001 0.000 0.288 465 F C 0.711 176.525 175.800 0.023 0.000 0.980 465 F CA 1.129 59.130 58.000 0.002 0.000 0.965 465 F CB -1.268 37.738 39.000 0.011 0.000 0.967 465 F HN 1.357 nan 8.300 nan 0.000 0.800 466 A N 0.312 123.191 122.820 0.099 0.000 2.606 466 A HA 0.875 5.195 4.320 -0.001 0.000 0.293 466 A C 0.241 177.873 177.584 0.080 0.000 1.082 466 A CA -0.046 52.100 52.037 0.183 0.000 0.685 466 A CB 1.325 20.523 19.000 0.330 0.000 1.284 466 A HN 1.961 nan 8.150 nan 0.000 0.408 467 G N 0.243 109.229 108.800 0.310 0.000 2.795 467 G HA2 0.041 4.001 3.960 -0.001 0.000 0.664 467 G HA3 0.041 4.001 3.960 -0.001 0.000 0.664 467 G C -0.361 174.615 174.900 0.128 0.000 1.381 467 G CA 0.342 45.640 45.100 0.330 0.000 0.853 467 G HN 0.872 nan 8.290 nan 0.000 0.545 468 D N -0.673 119.828 120.400 0.169 0.000 2.489 468 D HA 0.316 4.956 4.640 -0.001 0.000 0.231 468 D C 1.373 177.732 176.300 0.099 0.000 1.114 468 D CA 1.376 55.437 54.000 0.101 0.000 0.842 468 D CB 0.918 41.782 40.800 0.107 0.000 1.133 468 D HN 1.182 nan 8.370 nan 0.000 0.506 469 S N -0.947 114.859 115.700 0.176 0.000 2.694 469 S HA 0.143 4.613 4.470 -0.001 0.000 0.273 469 S C -0.197 174.533 174.600 0.218 0.000 1.180 469 S CA -0.604 57.689 58.200 0.155 0.000 0.864 469 S CB 1.353 64.600 63.200 0.077 0.000 1.198 469 S HN -0.261 nan 8.310 nan 0.000 0.499 470 D N 0.378 120.833 120.400 0.092 0.000 2.219 470 D HA -0.020 4.620 4.640 -0.001 0.000 0.205 470 D C 1.868 178.061 176.300 -0.177 0.000 0.970 470 D CA 0.691 54.687 54.000 -0.006 0.000 0.851 470 D CB -0.126 40.653 40.800 -0.037 0.000 0.943 470 D HN 0.412 nan 8.370 nan 0.000 0.488 471 L N 0.894 122.025 121.223 -0.154 0.000 2.064 471 L HA -0.222 4.117 4.340 -0.001 0.000 0.216 471 L C 2.395 179.040 176.870 -0.374 0.000 1.077 471 L CA 1.819 56.495 54.840 -0.273 0.000 0.766 471 L CB -0.623 41.341 42.059 -0.158 0.000 0.890 471 L HN 0.084 nan 8.230 nan 0.000 0.435 472 G N -0.883 107.777 108.800 -0.233 0.000 2.421 472 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.216 472 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.216 472 G C 1.554 176.070 174.900 -0.640 0.000 1.171 472 G CA 0.853 45.802 45.100 -0.252 0.000 0.775 472 G HN 0.350 nan 8.290 nan 0.000 0.543 473 M N -0.412 118.456 119.600 -1.221 0.000 2.200 473 M HA 0.008 4.488 4.480 -0.001 0.000 0.265 473 M C 2.333 178.364 176.300 -0.449 0.000 1.066 473 M CA 1.837 56.485 55.300 -1.086 0.000 1.127 473 M CB -0.206 31.662 32.600 -1.221 0.000 1.379 473 M HN 0.459 nan 8.290 nan 0.000 0.420 474 H N -0.335 118.456 119.070 -0.465 0.000 2.319 474 H HA -0.245 4.311 4.556 -0.001 0.000 0.297 474 H C 1.793 177.007 175.328 -0.189 0.000 1.097 474 H CA 2.655 58.521 56.048 -0.304 0.000 1.285 474 H CB -0.189 29.380 29.762 -0.322 0.000 1.368 474 H HN 0.477 nan 8.280 nan 0.000 0.495 475 H N -0.870 118.142 119.070 -0.097 0.000 2.421 475 H HA -0.075 4.481 4.556 -0.001 0.000 0.298 475 H C 2.555 177.820 175.328 -0.104 0.000 1.087 475 H CA 1.320 57.309 56.048 -0.098 0.000 1.330 475 H CB -0.292 29.496 29.762 0.044 0.000 1.388 475 H HN 0.303 nan 8.280 nan 0.000 0.526 476 V N 0.807 120.742 119.914 0.035 0.000 2.283 476 V HA -0.182 3.938 4.120 -0.001 0.000 0.243 476 V C 2.741 178.812 176.094 -0.038 0.000 1.039 476 V CA 1.227 63.553 62.300 0.044 0.000 1.016 476 V CB -0.532 31.340 31.823 0.082 0.000 0.650 476 V HN 0.217 nan 8.190 nan 0.000 0.449 477 L N 0.606 121.763 121.223 -0.110 0.000 2.156 477 L HA -0.108 4.231 4.340 -0.001 0.000 0.208 477 L C 2.782 179.575 176.870 -0.129 0.000 1.095 477 L CA 1.471 56.253 54.840 -0.096 0.000 0.770 477 L CB -0.600 41.394 42.059 -0.108 0.000 0.914 477 L HN 0.537 nan 8.230 nan 0.000 0.439 478 S N -0.064 115.493 115.700 -0.240 0.000 2.365 478 S HA -0.176 4.293 4.470 -0.001 0.000 0.225 478 S C 1.832 176.369 174.600 -0.104 0.000 1.039 478 S CA 1.723 59.784 58.200 -0.232 0.000 1.033 478 S CB -0.545 62.441 63.200 -0.357 0.000 0.887 478 S HN 0.448 nan 8.310 nan 0.000 0.447 479 G N -1.110 107.653 108.800 -0.062 0.000 2.748 479 G HA2 0.129 4.089 3.960 -0.001 0.000 0.204 479 G HA3 0.129 4.089 3.960 -0.001 0.000 0.204 479 G C 0.445 175.336 174.900 -0.014 0.000 1.095 479 G CA 0.263 45.342 45.100 -0.034 0.000 0.775 479 G HN 0.563 nan 8.290 nan 0.000 0.531 480 C N 2.812 122.111 119.300 -0.001 0.000 3.025 480 C HA 0.222 4.682 4.460 -0.001 0.000 0.547 480 C C 1.374 176.374 174.990 0.017 0.000 1.058 480 C CA -1.225 57.805 59.018 0.020 0.000 1.164 480 C CB -1.259 26.505 27.740 0.040 0.000 1.405 480 C HN 0.408 nan 8.230 nan 0.000 0.610 481 D N 1.513 121.919 120.400 0.011 0.000 2.339 481 D HA -0.160 4.479 4.640 -0.001 0.000 0.189 481 D C 1.749 178.062 176.300 0.022 0.000 1.022 481 D CA 1.991 55.999 54.000 0.013 0.000 0.884 481 D CB -0.155 40.652 40.800 0.012 0.000 0.916 481 D HN 0.535 nan 8.370 nan 0.000 0.453 482 S N -0.430 115.288 115.700 0.030 0.000 2.572 482 S HA 0.177 4.647 4.470 -0.001 0.000 0.228 482 S C 0.868 175.494 174.600 0.043 0.000 0.963 482 S CA -0.436 57.785 58.200 0.035 0.000 0.939 482 S CB 0.366 63.587 63.200 0.036 0.000 0.804 482 S HN 0.216 nan 8.310 nan 0.000 0.480 483 L N 2.658 123.907 121.223 0.043 0.000 2.628 483 L HA 0.054 4.394 4.340 -0.001 0.000 0.274 483 L C 1.310 178.213 176.870 0.056 0.000 1.209 483 L CA 0.348 55.219 54.840 0.052 0.000 0.930 483 L CB 0.450 42.538 42.059 0.049 0.000 1.183 483 L HN 0.284 nan 8.230 nan 0.000 0.492 484 R N 2.866 123.405 120.500 0.065 0.000 2.164 484 R HA 0.197 4.536 4.340 -0.001 0.000 0.198 484 R C -0.066 176.285 176.300 0.085 0.000 1.028 484 R CA 0.251 56.395 56.100 0.073 0.000 1.083 484 R CB 0.447 30.793 30.300 0.075 0.000 1.026 484 R HN 0.466 nan 8.270 nan 0.000 0.514 485 K N 1.250 121.703 120.400 0.087 0.000 2.545 485 K HA 0.306 4.625 4.320 -0.001 0.000 0.252 485 K C -1.841 174.818 176.600 0.098 0.000 0.948 485 K CA -0.595 55.752 56.287 0.101 0.000 0.827 485 K CB 2.200 34.756 32.500 0.093 0.000 1.128 485 K HN -0.178 nan 8.250 nan 0.000 0.429 486 L N 3.951 125.240 121.223 0.110 0.000 2.325 486 L HA 0.400 4.739 4.340 -0.001 0.000 0.281 486 L C -1.194 175.752 176.870 0.126 0.000 1.004 486 L CA -0.069 54.840 54.840 0.115 0.000 0.823 486 L CB 1.199 43.319 42.059 0.102 0.000 1.236 486 L HN 0.663 nan 8.230 nan 0.000 0.415 487 E N 5.973 126.227 120.200 0.091 0.000 2.274 487 E HA 0.595 4.944 4.350 -0.001 0.000 0.269 487 E C -1.531 175.147 176.600 0.130 0.000 0.891 487 E CA -0.687 55.700 56.400 -0.022 0.000 0.784 487 E CB 1.896 31.240 29.700 -0.594 0.000 1.225 487 E HN 0.539 nan 8.360 nan 0.000 0.412 488 I N 2.595 123.369 120.570 0.340 0.000 2.571 488 I HA 0.421 4.591 4.170 -0.001 0.000 0.289 488 I C -0.946 175.445 176.117 0.458 0.000 1.115 488 I CA -0.975 60.555 61.300 0.384 0.000 1.045 488 I CB 2.079 40.266 38.000 0.310 0.000 1.238 488 I HN 0.590 nan 8.210 nan 0.000 0.424 489 R N 4.114 124.809 120.500 0.325 0.000 2.561 489 R HA 0.600 4.939 4.340 -0.001 0.000 0.297 489 R C -0.878 175.299 176.300 -0.205 0.000 0.969 489 R CA -0.552 55.624 56.100 0.127 0.000 0.879 489 R CB 1.253 31.631 30.300 0.130 0.000 1.178 489 R HN 0.555 nan 8.270 nan 0.000 0.445 490 D N 1.271 121.545 120.400 -0.211 0.000 2.798 490 D HA -0.127 4.513 4.640 -0.001 0.000 0.237 490 D C -1.061 175.054 176.300 -0.308 0.000 1.092 490 D CA 0.664 54.460 54.000 -0.340 0.000 0.727 490 D CB -0.997 39.277 40.800 -0.877 0.000 1.087 490 D HN 0.606 nan 8.370 nan 0.000 0.437 491 C N 0.205 119.326 119.300 -0.298 0.000 2.802 491 C HA 0.436 4.896 4.460 -0.001 0.000 0.307 491 C C -1.909 172.778 174.990 -0.505 0.000 1.222 491 C CA -1.172 57.534 59.018 -0.520 0.000 1.580 491 C CB 2.101 29.204 27.740 -1.061 0.000 2.119 491 C HN 0.072 nan 8.230 nan 0.000 0.479 492 P HA 0.172 nan 4.420 nan 0.000 0.228 492 P C -0.856 176.414 177.300 -0.049 0.000 1.748 492 P CA 0.652 63.616 63.100 -0.227 0.000 0.909 492 P CB -0.688 30.948 31.700 -0.107 0.000 1.882 493 F N 0.100 120.011 119.950 -0.066 0.000 2.482 493 F HA 0.639 5.166 4.527 -0.001 0.000 0.331 493 F C 1.225 176.991 175.800 -0.056 0.000 1.115 493 F CA -0.862 57.086 58.000 -0.086 0.000 0.955 493 F CB 2.553 41.483 39.000 -0.117 0.000 1.136 493 F HN 0.082 nan 8.300 nan 0.000 0.452 494 G N 1.699 110.581 108.800 0.136 0.000 3.198 494 G HA2 0.115 4.075 3.960 -0.001 0.000 0.166 494 G HA3 0.115 4.075 3.960 -0.001 0.000 0.166 494 G C -0.369 174.543 174.900 0.020 0.000 1.134 494 G CA -0.144 44.992 45.100 0.058 0.000 0.941 494 G HN 0.396 nan 8.290 nan 0.000 0.639 495 D N 0.082 120.483 120.400 0.002 0.000 2.137 495 D HA 0.068 4.707 4.640 -0.001 0.000 0.202 495 D C 2.322 178.606 176.300 -0.026 0.000 0.970 495 D CA 0.811 54.801 54.000 -0.016 0.000 0.837 495 D CB 0.153 40.941 40.800 -0.020 0.000 0.981 495 D HN 0.272 nan 8.370 nan 0.000 0.475 496 K N 0.645 121.028 120.400 -0.029 0.000 2.026 496 K HA -0.004 4.316 4.320 -0.001 0.000 0.208 496 K C 2.065 178.633 176.600 -0.053 0.000 1.048 496 K CA 1.219 57.478 56.287 -0.046 0.000 0.929 496 K CB -0.105 32.363 32.500 -0.053 0.000 0.713 496 K HN 0.029 nan 8.250 nan 0.000 0.439 497 A N 1.217 124.003 122.820 -0.057 0.000 2.014 497 A HA -0.081 4.238 4.320 -0.001 0.000 0.218 497 A C 2.070 179.633 177.584 -0.034 0.000 1.163 497 A CA 0.782 52.786 52.037 -0.054 0.000 0.652 497 A CB -0.312 18.615 19.000 -0.121 0.000 0.808 497 A HN 0.229 nan 8.150 nan 0.000 0.449 498 L N -0.520 120.681 121.223 -0.037 0.000 2.044 498 L HA 0.021 4.361 4.340 -0.001 0.000 0.205 498 L C 2.065 178.919 176.870 -0.028 0.000 1.075 498 L CA 1.639 56.459 54.840 -0.032 0.000 0.747 498 L CB -0.276 41.768 42.059 -0.025 0.000 0.903 498 L HN 0.344 nan 8.230 nan 0.000 0.435 499 L N -0.531 120.674 121.223 -0.029 0.000 2.341 499 L HA 0.073 4.413 4.340 -0.001 0.000 0.214 499 L C 2.424 179.283 176.870 -0.019 0.000 1.115 499 L CA 0.639 55.461 54.840 -0.030 0.000 0.820 499 L CB -0.715 41.321 42.059 -0.037 0.000 0.944 499 L HN 0.307 nan 8.230 nan 0.000 0.452 500 A N -0.054 122.762 122.820 -0.008 0.000 2.206 500 A HA -0.044 4.276 4.320 -0.001 0.000 0.211 500 A C 1.026 178.629 177.584 0.032 0.000 1.158 500 A CA 0.865 52.909 52.037 0.011 0.000 0.761 500 A CB -0.473 18.533 19.000 0.009 0.000 0.801 500 A HN 0.489 nan 8.150 nan 0.000 0.473 501 N N -1.016 117.693 118.700 0.015 0.000 2.480 501 N HA 0.412 5.151 4.740 -0.001 0.000 0.281 501 N C 0.957 176.458 175.510 -0.015 0.000 1.381 501 N CA 0.454 53.503 53.050 -0.001 0.000 0.903 501 N CB 0.850 39.325 38.487 -0.021 0.000 1.274 501 N HN 0.281 nan 8.380 nan 0.000 0.505 502 A N 0.325 123.136 122.820 -0.015 0.000 1.930 502 A HA -0.158 4.162 4.320 -0.001 0.000 0.217 502 A C 2.246 179.818 177.584 -0.020 0.000 1.175 502 A CA 1.882 53.905 52.037 -0.023 0.000 0.627 502 A CB -0.518 18.467 19.000 -0.026 0.000 0.815 502 A HN 0.410 nan 8.150 nan 0.000 0.443 503 S N -0.961 114.730 115.700 -0.015 0.000 2.461 503 S HA -0.086 4.383 4.470 -0.001 0.000 0.228 503 S C 1.891 176.487 174.600 -0.008 0.000 1.005 503 S CA 1.126 59.319 58.200 -0.011 0.000 0.942 503 S CB -0.211 62.984 63.200 -0.008 0.000 0.776 503 S HN 0.324 nan 8.310 nan 0.000 0.514 504 K N 1.616 122.009 120.400 -0.011 0.000 2.207 504 K HA -0.090 4.229 4.320 -0.001 0.000 0.208 504 K C 1.821 178.420 176.600 -0.001 0.000 1.046 504 K CA 1.517 57.798 56.287 -0.009 0.000 0.929 504 K CB -0.870 31.618 32.500 -0.020 0.000 0.720 504 K HN 0.555 nan 8.250 nan 0.000 0.463 505 L N 0.079 121.299 121.223 -0.006 0.000 2.217 505 L HA -0.095 4.244 4.340 -0.001 0.000 0.211 505 L C 1.944 178.819 176.870 0.008 0.000 1.107 505 L CA 0.809 55.648 54.840 -0.002 0.000 0.783 505 L CB -0.280 41.767 42.059 -0.021 0.000 0.919 505 L HN 0.166 nan 8.230 nan 0.000 0.442 506 E N -0.334 119.870 120.200 0.007 0.000 2.472 506 E HA -0.153 4.197 4.350 -0.001 0.000 0.200 506 E C 1.472 178.091 176.600 0.031 0.000 1.046 506 E CA 1.321 57.732 56.400 0.018 0.000 0.871 506 E CB 0.055 29.763 29.700 0.013 0.000 0.806 506 E HN 0.502 nan 8.360 nan 0.000 0.533 507 T N -2.454 112.117 114.554 0.029 0.000 3.134 507 T HA 0.317 4.667 4.350 -0.001 0.000 0.260 507 T C 0.364 175.092 174.700 0.045 0.000 1.027 507 T CA -0.286 61.836 62.100 0.035 0.000 0.913 507 T CB 0.152 69.037 68.868 0.027 0.000 1.046 507 T HN -0.135 nan 8.240 nan 0.000 0.553 508 M N 0.913 120.544 119.600 0.051 0.000 2.518 508 M HA 0.490 4.969 4.480 -0.001 0.000 0.300 508 M C 1.152 177.499 176.300 0.078 0.000 1.175 508 M CA -1.065 54.272 55.300 0.061 0.000 0.890 508 M CB 3.108 35.740 32.600 0.053 0.000 1.710 508 M HN -0.074 nan 8.290 nan 0.000 0.453 509 R N 1.255 121.810 120.500 0.092 0.000 2.066 509 R HA -0.003 4.337 4.340 -0.001 0.000 0.232 509 R C -0.163 176.209 176.300 0.120 0.000 1.131 509 R CA 1.659 57.823 56.100 0.107 0.000 0.955 509 R CB 0.263 30.629 30.300 0.111 0.000 0.851 509 R HN 0.737 nan 8.270 nan 0.000 0.432 510 S N -0.380 115.395 115.700 0.124 0.000 2.535 510 S HA 0.380 4.849 4.470 -0.001 0.000 0.272 510 S C -1.365 173.324 174.600 0.147 0.000 1.149 510 S CA -1.181 57.094 58.200 0.125 0.000 0.888 510 S CB 1.762 65.115 63.200 0.255 0.000 1.110 510 S HN 0.133 nan 8.310 nan 0.000 0.463 511 L N 3.709 124.999 121.223 0.111 0.000 2.280 511 L HA 0.571 4.910 4.340 -0.001 0.000 0.287 511 L C -0.766 176.293 176.870 0.315 0.000 1.023 511 L CA -0.492 54.447 54.840 0.164 0.000 0.819 511 L CB 0.818 42.920 42.059 0.072 0.000 1.212 511 L HN 0.906 nan 8.230 nan 0.000 0.420 512 W N 8.341 129.770 121.300 0.214 0.000 2.331 512 W HA 0.428 5.088 4.660 -0.000 0.000 0.306 512 W C -1.540 175.052 176.519 0.121 0.000 1.162 512 W CA -0.730 56.736 57.345 0.203 0.000 1.232 512 W CB 1.317 30.762 29.460 -0.025 0.000 1.235 512 W HN 0.490 nan 8.180 nan 0.000 0.479 513 M N 6.739 126.105 119.600 -0.390 0.000 2.035 513 M HA 0.123 4.603 4.480 -0.001 0.000 0.286 513 M C -0.269 175.871 176.300 -0.267 0.000 0.907 513 M CA -0.343 54.865 55.300 -0.152 0.000 0.935 513 M CB 1.761 34.343 32.600 -0.030 0.000 1.557 513 M HN 0.277 nan 8.290 nan 0.000 0.426 514 S N 0.572 116.291 115.700 0.032 0.000 2.472 514 S HA 0.649 5.119 4.470 -0.001 0.000 0.303 514 S C 0.276 174.936 174.600 0.100 0.000 1.099 514 S CA -0.672 57.597 58.200 0.115 0.000 1.077 514 S CB 1.634 65.111 63.200 0.463 0.000 1.031 514 S HN 0.725 nan 8.310 nan 0.000 0.487 515 S N 0.198 115.929 115.700 0.052 0.000 3.631 515 S HA -0.144 4.326 4.470 -0.001 0.000 0.366 515 S C 0.440 175.036 174.600 -0.007 0.000 0.993 515 S CA 0.601 58.814 58.200 0.022 0.000 1.167 515 S CB -2.561 60.646 63.200 0.013 0.000 0.909 515 S HN 0.844 nan 8.310 nan 0.000 0.478 516 C N 0.691 119.990 119.300 -0.003 0.000 2.621 516 C HA 0.647 5.107 4.460 -0.001 0.000 0.391 516 C C 1.523 176.511 174.990 -0.004 0.000 2.609 516 C CA -0.487 58.520 59.018 -0.019 0.000 1.817 516 C CB 1.256 29.001 27.740 0.009 0.000 2.368 516 C HN 0.602 nan 8.230 nan 0.000 0.422 517 S N 0.520 116.225 115.700 0.007 0.000 2.489 517 S HA 0.245 4.715 4.470 -0.001 0.000 0.237 517 S C -0.454 174.160 174.600 0.024 0.000 1.220 517 S CA -0.182 58.027 58.200 0.016 0.000 1.231 517 S CB -0.428 62.781 63.200 0.015 0.000 0.900 517 S HN 0.433 nan 8.310 nan 0.000 0.492 518 V N 3.570 123.498 119.914 0.023 0.000 2.405 518 V HA 0.224 4.343 4.120 -0.001 0.000 0.264 518 V C 0.952 177.065 176.094 0.031 0.000 1.048 518 V CA -0.580 61.733 62.300 0.021 0.000 0.966 518 V CB 0.310 32.141 31.823 0.013 0.000 1.015 518 V HN 0.734 nan 8.190 nan 0.000 0.477 519 S N 4.790 120.505 115.700 0.026 0.000 2.579 519 S HA 0.154 4.623 4.470 -0.001 0.000 0.275 519 S C 0.872 175.523 174.600 0.085 0.000 1.345 519 S CA -0.248 57.982 58.200 0.049 0.000 1.031 519 S CB 0.446 63.661 63.200 0.026 0.000 0.892 519 S HN 0.599 nan 8.310 nan 0.000 0.529 520 F N 2.753 122.673 119.950 -0.050 0.000 2.126 520 F HA 0.064 4.590 4.527 -0.001 0.000 0.299 520 F C 2.190 177.957 175.800 -0.056 0.000 1.096 520 F CA 1.782 59.743 58.000 -0.064 0.000 1.255 520 F CB -1.179 37.766 39.000 -0.091 0.000 0.997 520 F HN 0.755 nan 8.300 nan 0.000 0.479 521 G N -0.307 108.384 108.800 -0.181 0.000 2.442 521 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.219 521 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.219 521 G C 1.824 176.581 174.900 -0.238 0.000 1.141 521 G CA 0.929 45.853 45.100 -0.293 0.000 0.763 521 G HN 0.644 nan 8.290 nan 0.000 0.554 522 A N -0.138 122.598 122.820 -0.139 0.000 1.929 522 A HA -0.005 4.314 4.320 -0.001 0.000 0.216 522 A C 2.559 180.071 177.584 -0.121 0.000 1.176 522 A CA 1.605 53.578 52.037 -0.106 0.000 0.628 522 A CB -0.937 18.027 19.000 -0.060 0.000 0.816 522 A HN 0.403 nan 8.150 nan 0.000 0.444 523 C N -0.446 118.781 119.300 -0.122 0.000 2.398 523 C HA -0.150 4.309 4.460 -0.001 0.000 0.276 523 C C 2.758 177.635 174.990 -0.188 0.000 1.222 523 C CA 1.615 60.566 59.018 -0.112 0.000 1.746 523 C CB -1.073 26.657 27.740 -0.017 0.000 2.039 523 C HN 0.636 nan 8.230 nan 0.000 0.470 524 K N 0.103 120.295 120.400 -0.348 0.000 2.031 524 K HA -0.040 4.280 4.320 -0.001 0.000 0.205 524 K C 2.096 178.578 176.600 -0.197 0.000 1.049 524 K CA 0.813 56.908 56.287 -0.319 0.000 0.939 524 K CB -0.348 31.877 32.500 -0.458 0.000 0.717 524 K HN 0.392 nan 8.250 nan 0.000 0.438 525 L N 1.124 122.238 121.223 -0.182 0.000 1.989 525 L HA -0.219 4.120 4.340 -0.001 0.000 0.211 525 L C 2.380 179.191 176.870 -0.098 0.000 1.071 525 L CA 1.354 56.121 54.840 -0.122 0.000 0.749 525 L CB -0.397 41.599 42.059 -0.106 0.000 0.890 525 L HN 0.238 nan 8.230 nan 0.000 0.431 526 L N 0.364 121.529 121.223 -0.096 0.000 2.043 526 L HA -0.166 4.174 4.340 -0.001 0.000 0.212 526 L C 2.326 179.148 176.870 -0.080 0.000 1.075 526 L CA 2.272 57.064 54.840 -0.079 0.000 0.752 526 L CB -1.132 40.883 42.059 -0.073 0.000 0.891 526 L HN 0.254 nan 8.230 nan 0.000 0.432 527 G N -1.750 106.996 108.800 -0.089 0.000 2.432 527 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.219 527 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.219 527 G C 1.499 176.355 174.900 -0.073 0.000 1.135 527 G CA 0.606 45.656 45.100 -0.083 0.000 0.767 527 G HN 0.480 nan 8.290 nan 0.000 0.550 528 Q N -0.155 119.601 119.800 -0.073 0.000 2.096 528 Q HA 0.032 4.371 4.340 -0.001 0.000 0.197 528 Q C 2.490 178.459 176.000 -0.052 0.000 0.964 528 Q CA 0.824 56.591 55.803 -0.060 0.000 0.838 528 Q CB -0.185 28.515 28.738 -0.064 0.000 0.906 528 Q HN 0.484 nan 8.270 nan 0.000 0.444 529 K N -0.243 120.125 120.400 -0.053 0.000 2.057 529 K HA -0.067 4.253 4.320 -0.001 0.000 0.207 529 K C 0.462 177.037 176.600 -0.041 0.000 1.049 529 K CA 0.847 57.108 56.287 -0.044 0.000 0.931 529 K CB 0.276 32.750 32.500 -0.043 0.000 0.714 529 K HN 0.083 nan 8.250 nan 0.000 0.440 530 M N 1.460 121.030 119.600 -0.049 0.000 2.808 530 M HA 0.183 4.662 4.480 -0.001 0.000 0.225 530 M C -2.217 174.052 176.300 -0.052 0.000 1.103 530 M CA -2.087 53.185 55.300 -0.047 0.000 0.982 530 M CB 1.047 33.615 32.600 -0.054 0.000 1.314 530 M HN -0.107 nan 8.290 nan 0.000 0.505 531 P HA -0.090 nan 4.420 nan 0.000 0.228 531 P C 0.343 177.618 177.300 -0.042 0.000 1.151 531 P CA 1.104 64.178 63.100 -0.043 0.000 0.770 531 P CB 0.110 31.791 31.700 -0.031 0.000 0.786 532 K N -0.934 119.446 120.400 -0.034 0.000 2.372 532 K HA 0.167 4.487 4.320 -0.001 0.000 0.200 532 K C 0.064 176.639 176.600 -0.042 0.000 1.022 532 K CA -0.321 55.952 56.287 -0.024 0.000 1.125 532 K CB 0.147 32.648 32.500 0.001 0.000 0.855 532 K HN 0.028 nan 8.250 nan 0.000 0.524 533 L N 1.944 123.119 121.223 -0.079 0.000 2.305 533 L HA 0.168 4.508 4.340 -0.001 0.000 0.281 533 L C -0.017 176.717 176.870 -0.227 0.000 1.085 533 L CA -0.452 54.298 54.840 -0.150 0.000 0.813 533 L CB 0.128 42.101 42.059 -0.143 0.000 1.157 533 L HN 0.042 nan 8.230 nan 0.000 0.436 534 N N 2.249 120.709 118.700 -0.401 0.000 2.399 534 N HA 0.116 4.855 4.740 -0.001 0.000 0.259 534 N C -0.555 174.628 175.510 -0.544 0.000 1.160 534 N CA -0.059 52.673 53.050 -0.529 0.000 0.946 534 N CB 0.786 38.747 38.487 -0.877 0.000 1.156 534 N HN 0.269 nan 8.380 nan 0.000 0.489 535 V N 3.166 122.911 119.914 -0.283 0.000 2.320 535 V HA 0.153 4.273 4.120 -0.001 0.000 0.265 535 V C 0.389 176.442 176.094 -0.069 0.000 1.048 535 V CA -0.515 61.678 62.300 -0.178 0.000 0.865 535 V CB 0.140 31.896 31.823 -0.112 0.000 1.043 535 V HN 0.467 nan 8.190 nan 0.000 0.474 536 E N 3.811 124.010 120.200 -0.001 0.000 2.113 536 E HA 0.444 4.793 4.350 -0.001 0.000 0.273 536 E C -0.934 175.798 176.600 0.220 0.000 0.924 536 E CA -0.619 55.872 56.400 0.152 0.000 0.764 536 E CB 2.310 32.181 29.700 0.285 0.000 1.104 536 E HN 0.428 nan 8.360 nan 0.000 0.406 537 V N 5.267 125.342 119.914 0.270 0.000 2.461 537 V HA 0.269 4.389 4.120 -0.001 0.000 0.275 537 V C 0.096 176.442 176.094 0.420 0.000 1.047 537 V CA -0.218 62.261 62.300 0.298 0.000 0.955 537 V CB 0.501 32.511 31.823 0.312 0.000 0.988 537 V HN 0.605 nan 8.190 nan 0.000 0.471 538 I N 4.708 125.491 120.570 0.355 0.000 2.448 538 I HA 0.479 4.649 4.170 -0.001 0.000 0.281 538 I C -0.875 175.488 176.117 0.410 0.000 1.027 538 I CA -0.068 61.515 61.300 0.472 0.000 1.111 538 I CB 1.537 39.799 38.000 0.437 0.000 1.236 538 I HN 0.545 nan 8.210 nan 0.000 0.452 539 D N 5.574 126.282 120.400 0.513 0.000 2.354 539 D HA 0.095 4.734 4.640 -0.001 0.000 0.230 539 D C 0.097 176.588 176.300 0.318 0.000 1.361 539 D CA -0.265 53.922 54.000 0.313 0.000 0.992 539 D CB 1.430 42.352 40.800 0.204 0.000 1.409 539 D HN 0.500 nan 8.370 nan 0.000 0.573 540 E N 1.357 121.649 120.200 0.153 0.000 2.505 540 E HA -0.011 4.339 4.350 -0.001 0.000 0.197 540 E C 0.920 177.583 176.600 0.105 0.000 1.111 540 E CA 0.413 56.868 56.400 0.092 0.000 0.887 540 E CB 0.333 29.998 29.700 -0.058 0.000 0.913 540 E HN 0.182 nan 8.360 nan 0.000 0.517 541 R N -0.350 120.208 120.500 0.096 0.000 2.388 541 R HA 0.189 4.529 4.340 -0.001 0.000 0.247 541 R C 0.421 176.747 176.300 0.043 0.000 0.931 541 R CA 0.325 56.449 56.100 0.039 0.000 1.082 541 R CB 0.916 31.212 30.300 -0.008 0.000 1.135 541 R HN 0.190 nan 8.270 nan 0.000 0.525 542 G N 0.049 108.928 108.800 0.132 0.000 2.728 542 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.294 542 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.294 542 G C -0.583 174.285 174.900 -0.054 0.000 1.342 542 G CA -0.740 44.441 45.100 0.134 0.000 0.866 542 G HN 0.338 nan 8.290 nan 0.000 0.534 543 A N 0.468 123.243 122.820 -0.075 0.000 2.488 543 A HA 0.634 4.954 4.320 -0.001 0.000 0.249 543 A C -0.400 176.841 177.584 -0.570 0.000 1.083 543 A CA 0.173 51.983 52.037 -0.378 0.000 0.768 543 A CB 0.254 19.192 19.000 -0.103 0.000 1.017 543 A HN 0.530 nan 8.150 nan 0.000 0.496 544 P HA -0.149 nan 4.420 nan 0.000 0.219 544 P C 0.272 177.021 177.300 -0.918 0.000 1.146 544 P CA 1.650 64.065 63.100 -1.142 0.000 0.808 544 P CB -0.061 30.500 31.700 -1.897 0.000 0.779 545 D N -1.496 118.561 120.400 -0.571 0.000 2.384 545 D HA -0.095 4.545 4.640 -0.001 0.000 0.222 545 D C 1.627 177.831 176.300 -0.161 0.000 0.976 545 D CA 0.551 54.425 54.000 -0.209 0.000 0.915 545 D CB -0.801 39.962 40.800 -0.062 0.000 0.896 545 D HN 0.035 nan 8.370 nan 0.000 0.523 546 S N -0.214 115.363 115.700 -0.205 0.000 2.402 546 S HA -0.102 4.368 4.470 -0.001 0.000 0.233 546 S C 0.901 175.437 174.600 -0.106 0.000 1.030 546 S CA 0.911 59.033 58.200 -0.130 0.000 1.003 546 S CB -0.032 63.089 63.200 -0.132 0.000 0.813 546 S HN 0.325 nan 8.310 nan 0.000 0.477 547 R N 0.438 120.854 120.500 -0.140 0.000 2.873 547 R HA 0.492 4.831 4.340 -0.001 0.000 0.264 547 R C -3.035 173.234 176.300 -0.052 0.000 1.026 547 R CA -2.341 53.704 56.100 -0.090 0.000 1.002 547 R CB 0.147 30.385 30.300 -0.103 0.000 1.174 547 R HN -0.028 nan 8.270 nan 0.000 0.488 548 P HA -0.062 nan 4.420 nan 0.000 0.269 548 P C -0.014 177.334 177.300 0.080 0.000 1.209 548 P CA -0.014 63.102 63.100 0.027 0.000 0.776 548 P CB 0.576 32.286 31.700 0.015 0.000 0.876 549 E N 0.600 120.871 120.200 0.119 0.000 2.152 549 E HA -0.145 4.205 4.350 -0.001 0.000 0.192 549 E C 1.509 178.176 176.600 0.111 0.000 0.983 549 E CA 0.810 57.331 56.400 0.202 0.000 0.818 549 E CB -0.704 29.078 29.700 0.136 0.000 0.758 549 E HN 0.240 nan 8.360 nan 0.000 0.467 550 S N -0.270 115.462 115.700 0.052 0.000 2.519 550 S HA -0.234 4.236 4.470 -0.001 0.000 0.278 550 S C 0.189 174.813 174.600 0.040 0.000 0.970 550 S CA 0.907 59.129 58.200 0.035 0.000 0.960 550 S CB -1.209 62.005 63.200 0.022 0.000 0.727 550 S HN 0.525 nan 8.310 nan 0.000 0.527 551 C N 1.746 121.082 119.300 0.060 0.000 2.369 551 C HA 0.672 5.132 4.460 -0.001 0.000 0.322 551 C C -2.770 172.249 174.990 0.048 0.000 1.258 551 C CA -2.535 56.504 59.018 0.035 0.000 1.487 551 C CB 0.837 28.581 27.740 0.007 0.000 2.165 551 C HN 0.242 nan 8.230 nan 0.000 0.483 552 P HA 0.138 nan 4.420 nan 0.000 0.265 552 P C -0.270 177.046 177.300 0.025 0.000 1.193 552 P CA 0.207 63.326 63.100 0.032 0.000 0.765 552 P CB 0.355 32.067 31.700 0.020 0.000 0.823 553 V N 0.873 120.810 119.914 0.039 0.000 2.904 553 V HA 0.236 4.355 4.120 -0.001 0.000 0.305 553 V C 1.283 177.392 176.094 0.026 0.000 1.067 553 V CA -0.146 62.170 62.300 0.028 0.000 1.044 553 V CB 0.696 32.558 31.823 0.065 0.000 1.050 553 V HN 0.487 nan 8.190 nan 0.000 0.475 554 E N 1.311 121.533 120.200 0.035 0.000 2.107 554 E HA 0.033 4.383 4.350 -0.001 0.000 0.191 554 E C 0.023 176.644 176.600 0.035 0.000 0.982 554 E CA 1.014 57.441 56.400 0.046 0.000 0.809 554 E CB 0.134 29.875 29.700 0.069 0.000 0.756 554 E HN 0.694 nan 8.360 nan 0.000 0.459 555 R N 0.118 120.622 120.500 0.007 0.000 2.522 555 R HA 0.267 4.607 4.340 -0.001 0.000 0.273 555 R C -1.287 174.929 176.300 -0.141 0.000 1.133 555 R CA -0.460 55.552 56.100 -0.147 0.000 0.969 555 R CB 1.955 32.159 30.300 -0.160 0.000 1.235 555 R HN -0.135 nan 8.270 nan 0.000 0.433 556 V N 0.079 119.863 119.914 -0.217 0.000 2.483 556 V HA 0.621 4.740 4.120 -0.001 0.000 0.295 556 V C -0.570 175.384 176.094 -0.233 0.000 1.035 556 V CA -0.814 61.405 62.300 -0.135 0.000 0.896 556 V CB 1.366 33.151 31.823 -0.064 0.000 0.986 556 V HN 0.601 nan 8.190 nan 0.000 0.447 557 F N 5.587 125.394 119.950 -0.238 0.000 2.426 557 F HA 0.772 5.299 4.527 -0.001 0.000 0.348 557 F C -0.535 175.315 175.800 0.084 0.000 1.124 557 F CA -1.928 56.038 58.000 -0.057 0.000 1.008 557 F CB 1.149 40.266 39.000 0.194 0.000 1.139 557 F HN 0.454 nan 8.300 nan 0.000 0.452 558 I N 8.048 128.456 120.570 -0.271 0.000 2.436 558 I HA 0.362 4.531 4.170 -0.001 0.000 0.289 558 I C -1.439 174.468 176.117 -0.350 0.000 1.010 558 I CA -0.918 60.181 61.300 -0.335 0.000 1.098 558 I CB 1.600 39.503 38.000 -0.162 0.000 1.266 558 I HN 0.536 nan 8.210 nan 0.000 0.434 559 Y N 4.408 124.507 120.300 -0.334 0.000 2.513 559 Y HA 0.647 5.196 4.550 -0.001 0.000 0.340 559 Y C -0.729 175.112 175.900 -0.098 0.000 1.055 559 Y CA -1.567 56.390 58.100 -0.238 0.000 1.020 559 Y CB 0.903 39.177 38.460 -0.310 0.000 1.301 559 Y HN 0.578 nan 8.280 nan 0.000 0.453 560 R N 1.112 121.712 120.500 0.166 0.000 2.531 560 R HA 0.803 5.142 4.340 -0.001 0.000 0.273 560 R C -0.804 175.622 176.300 0.210 0.000 1.070 560 R CA -0.288 55.876 56.100 0.106 0.000 1.112 560 R CB 1.706 32.054 30.300 0.080 0.000 1.049 560 R HN 0.946 nan 8.270 nan 0.000 0.508 561 T N -0.576 114.069 114.554 0.152 0.000 2.830 561 T HA 0.218 4.567 4.350 -0.001 0.000 0.322 561 T C 0.103 174.883 174.700 0.132 0.000 1.501 561 T CA -0.444 61.775 62.100 0.197 0.000 1.036 561 T CB 1.619 70.663 68.868 0.294 0.000 1.379 561 T HN 0.576 nan 8.240 nan 0.000 0.493 562 V N 1.069 121.067 119.914 0.140 0.000 3.621 562 V HA 0.648 4.767 4.120 -0.001 0.000 0.285 562 V C 1.795 177.955 176.094 0.109 0.000 1.346 562 V CA 0.989 63.354 62.300 0.108 0.000 1.104 562 V CB -0.342 31.542 31.823 0.102 0.000 0.913 562 V HN 0.904 nan 8.190 nan 0.000 0.432 563 A N 0.298 123.202 122.820 0.140 0.000 2.275 563 A HA 0.614 4.934 4.320 -0.001 0.000 0.212 563 A C 1.675 179.321 177.584 0.103 0.000 1.201 563 A CA 0.791 52.913 52.037 0.142 0.000 0.843 563 A CB -0.807 18.310 19.000 0.195 0.000 0.873 563 A HN 1.565 nan 8.150 nan 0.000 0.492 564 G N -0.113 108.728 108.800 0.069 0.000 2.633 564 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.263 564 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.263 564 G C -2.657 172.219 174.900 -0.040 0.000 1.310 564 G CA -0.244 44.859 45.100 0.005 0.000 0.914 564 G HN 0.361 nan 8.290 nan 0.000 0.569 565 P HA 0.327 nan 4.420 nan 0.000 0.269 565 P C 0.140 177.196 177.300 -0.407 0.000 1.215 565 P CA 0.122 63.079 63.100 -0.239 0.000 0.780 565 P CB 0.439 31.982 31.700 -0.263 0.000 0.898 566 R N 1.348 121.621 120.500 -0.378 0.000 2.674 566 R HA 0.455 4.795 4.340 -0.001 0.000 0.266 566 R C -0.307 175.708 176.300 -0.476 0.000 1.016 566 R CA -0.422 55.471 56.100 -0.345 0.000 1.062 566 R CB 0.316 30.408 30.300 -0.347 0.000 1.142 566 R HN 0.206 nan 8.270 nan 0.000 0.517 567 F N -0.116 119.792 119.950 -0.069 0.000 2.746 567 F HA 0.095 4.621 4.527 -0.001 0.000 0.297 567 F C 0.601 176.338 175.800 -0.104 0.000 1.113 567 F CA 0.162 58.118 58.000 -0.073 0.000 1.367 567 F CB 0.412 39.386 39.000 -0.043 0.000 1.111 567 F HN 0.676 nan 8.300 nan 0.000 0.590 568 D N -0.912 119.483 120.400 -0.009 0.000 2.623 568 D HA 0.117 4.756 4.640 -0.001 0.000 0.252 568 D C 0.196 176.391 176.300 -0.176 0.000 1.294 568 D CA -0.150 53.820 54.000 -0.049 0.000 0.824 568 D CB -0.759 40.071 40.800 0.050 0.000 1.070 568 D HN 0.046 nan 8.370 nan 0.000 0.487 569 M N 2.056 121.483 119.600 -0.288 0.000 2.240 569 M HA 0.092 4.572 4.480 -0.001 0.000 0.346 569 M C -1.832 174.249 176.300 -0.365 0.000 1.236 569 M CA -0.137 54.930 55.300 -0.389 0.000 0.986 569 M CB 0.332 32.692 32.600 -0.401 0.000 1.786 569 M HN 0.076 nan 8.290 nan 0.000 0.457 570 P HA 0.233 nan 4.420 nan 0.000 0.306 570 P C 0.444 177.381 177.300 -0.604 0.000 1.309 570 P CA -0.429 62.392 63.100 -0.465 0.000 0.759 570 P CB 0.469 31.837 31.700 -0.552 0.000 1.314 571 G N -0.345 108.232 108.800 -0.371 0.000 2.479 571 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.220 571 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.220 571 G C 0.844 175.458 174.900 -0.478 0.000 1.115 571 G CA 0.482 45.409 45.100 -0.288 0.000 0.757 571 G HN 0.580 nan 8.290 nan 0.000 0.560 572 F N -0.921 118.789 119.950 -0.401 0.000 2.668 572 F HA 0.675 5.201 4.527 -0.001 0.000 0.301 572 F C -0.428 175.191 175.800 -0.302 0.000 1.106 572 F CA -1.265 56.548 58.000 -0.311 0.000 1.289 572 F CB 0.194 39.240 39.000 0.076 0.000 1.006 572 F HN -0.166 nan 8.300 nan 0.000 0.535 573 V N 1.417 120.845 119.914 -0.811 0.000 2.588 573 V HA 0.346 4.465 4.120 -0.001 0.000 0.304 573 V C -1.055 174.714 176.094 -0.543 0.000 1.042 573 V CA -0.896 61.200 62.300 -0.340 0.000 0.877 573 V CB 1.811 33.435 31.823 -0.331 0.000 0.996 573 V HN 0.304 nan 8.190 nan 0.000 0.425 574 W N 2.706 124.015 121.300 0.015 0.000 2.785 574 W HA 0.450 5.109 4.660 -0.001 0.000 0.333 574 W C -0.278 176.244 176.519 0.005 0.000 1.062 574 W CA -0.734 56.618 57.345 0.011 0.000 1.233 574 W CB 2.252 31.748 29.460 0.061 0.000 1.413 574 W HN 0.605 nan 8.180 nan 0.000 0.489 575 N N 2.173 120.956 118.700 0.138 0.000 2.456 575 N HA 0.220 4.960 4.740 -0.001 0.000 0.288 575 N C 0.842 176.400 175.510 0.080 0.000 1.059 575 N CA -0.251 52.830 53.050 0.051 0.000 0.946 575 N CB 0.952 39.400 38.487 -0.065 0.000 1.150 575 N HN 0.211 nan 8.380 nan 0.000 0.479 576 M N 2.127 121.750 119.600 0.039 0.000 2.639 576 M HA -0.035 4.445 4.480 -0.001 0.000 0.220 576 M C 1.004 177.286 176.300 -0.030 0.000 1.155 576 M CA 0.220 55.526 55.300 0.011 0.000 1.003 576 M CB -1.009 31.576 32.600 -0.024 0.000 1.725 576 M HN 0.723 nan 8.290 nan 0.000 0.489 577 D N 1.115 121.492 120.400 -0.038 0.000 2.081 577 D HA -0.201 4.438 4.640 -0.001 0.000 0.194 577 D C 0.918 177.199 176.300 -0.033 0.000 0.986 577 D CA 0.893 54.864 54.000 -0.049 0.000 0.837 577 D CB -0.240 40.521 40.800 -0.064 0.000 0.985 577 D HN 0.385 nan 8.370 nan 0.000 0.448 578 Q N 0.000 119.790 119.800 -0.017 0.000 2.315 578 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 578 Q CA 0.000 55.797 55.803 -0.010 0.000 1.022 578 Q CB 0.000 28.736 28.738 -0.003 0.000 1.108 578 Q HN 0.000 nan 8.270 nan 0.000 0.481