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 1jdy_1_B DATA FIRST_RESID 1 DATA SEQUENCE VKIVTVKTKA YPDQKPGTSG LRKRVKVFQS STNYAENFIQ SIISTVEPAQ DATA SEQUENCE RQEATLVVGG DGRFYMKEAI QLIVRIAAAN GIGRLVIGQN GILSTPAVSC DATA SEQUENCE IIRKIKAIGG IILTAXHNPG GPNGDFGIKF NISNGGPAPE AITDKIFQIS DATA SEQUENCE KTIEEYAICP DLKVDLGVLG KQQFDLENKF KPFTVEIVDS VEAYATMLRN DATA SEQUENCE IFDFNALKEL LSGPNRLKIR IDAMHGVVGP YVKKILCEEL GAPANSAVNC DATA SEQUENCE VPLEDFGGHH PDPNLTYAAD LVETMKSGEH DFGAAFDGDG DRNMILGKHG DATA SEQUENCE FFVNPSDSVA VIAANIFSIP YFQQTGVRGF ARSMPTSGAL DRVANATKIA DATA SEQUENCE LYETPTGWKF FGNLMDASKL SLCGEESFGT GSDHIREKDG LWAVLAWLSI DATA SEQUENCE LATRKQSVED ILKDHWHKFG RNFFTRYDYE EVEAEGATKM MKDLEALMFD DATA SEQUENCE RSFVGKQFSA NDKVYTVEKA DNFEYHDPVD GSVSKNQGLR LIFADGSRII DATA SEQUENCE FRLSGTGSAG ATIRLYIDSY EKDNAKINQD PQVMLAPLIS IALKVSQLQE DATA SEQUENCE RTGRTAPTVI T 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 1 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.109 176.094 0.025 0.000 1.182 1 V CA 0.000 62.331 62.300 0.051 0.000 1.235 1 V CB 0.000 31.848 31.823 0.042 0.000 1.184 2 K N 2.195 122.601 120.400 0.010 0.000 2.218 2 K HA 0.777 5.097 4.320 -0.000 0.000 0.276 2 K C -0.807 175.783 176.600 -0.017 0.000 1.022 2 K CA -0.566 55.721 56.287 -0.000 0.000 0.946 2 K CB 1.890 34.390 32.500 0.000 0.000 1.000 2 K HN 0.686 nan 8.250 nan 0.000 0.468 3 I N 3.158 123.716 120.570 -0.019 0.000 2.304 3 I HA 0.117 4.287 4.170 -0.000 0.000 0.291 3 I C -0.766 175.335 176.117 -0.027 0.000 1.018 3 I CA -1.009 60.273 61.300 -0.030 0.000 1.260 3 I CB 1.591 39.573 38.000 -0.030 0.000 1.390 3 I HN 0.377 nan 8.210 nan 0.000 0.475 4 V N 5.642 125.538 119.914 -0.030 0.000 2.398 4 V HA 0.292 4.412 4.120 -0.000 0.000 0.286 4 V C 0.283 176.343 176.094 -0.058 0.000 1.026 4 V CA -0.416 61.861 62.300 -0.038 0.000 0.868 4 V CB 1.945 33.748 31.823 -0.033 0.000 0.982 4 V HN 0.660 nan 8.190 nan 0.000 0.443 5 T N 4.929 119.438 114.554 -0.075 0.000 2.771 5 T HA 0.435 4.785 4.350 -0.000 0.000 0.291 5 T C -0.224 174.357 174.700 -0.197 0.000 0.954 5 T CA -0.148 61.882 62.100 -0.116 0.000 1.045 5 T CB 1.097 69.915 68.868 -0.084 0.000 0.917 5 T HN 0.360 nan 8.240 nan 0.000 0.484 6 V N 5.392 125.076 119.914 -0.384 0.000 2.347 6 V HA 0.315 4.435 4.120 -0.000 0.000 0.280 6 V C 0.486 176.297 176.094 -0.471 0.000 1.021 6 V CA -1.017 60.973 62.300 -0.517 0.000 0.847 6 V CB 1.420 32.696 31.823 -0.911 0.000 0.990 6 V HN 0.628 nan 8.190 nan 0.000 0.444 7 K N 3.208 123.463 120.400 -0.242 0.000 2.351 7 K HA 0.173 4.493 4.320 -0.000 0.000 0.287 7 K C 0.223 176.763 176.600 -0.099 0.000 1.068 7 K CA 0.425 56.629 56.287 -0.138 0.000 0.998 7 K CB 0.715 33.166 32.500 -0.082 0.000 0.968 7 K HN 0.834 nan 8.250 nan 0.000 0.464 8 T N 2.872 117.403 114.554 -0.038 0.000 2.893 8 T HA 0.432 4.782 4.350 -0.000 0.000 0.279 8 T C -0.759 173.981 174.700 0.066 0.000 0.991 8 T CA -0.583 61.568 62.100 0.084 0.000 0.950 8 T CB 0.748 69.785 68.868 0.282 0.000 1.223 8 T HN 0.439 nan 8.240 nan 0.000 0.585 9 K N 1.158 121.603 120.400 0.076 0.000 2.578 9 K HA 0.611 4.931 4.320 -0.000 0.000 0.250 9 K C -0.617 175.973 176.600 -0.017 0.000 0.955 9 K CA -0.715 55.572 56.287 -0.000 0.000 0.825 9 K CB 1.741 34.202 32.500 -0.065 0.000 1.151 9 K HN 0.780 nan 8.250 nan 0.000 0.432 10 A N 2.786 125.609 122.820 0.005 0.000 2.547 10 A HA 0.078 4.398 4.320 -0.000 0.000 0.233 10 A C -0.901 176.674 177.584 -0.015 0.000 1.067 10 A CA 0.678 52.745 52.037 0.049 0.000 0.763 10 A CB -0.068 18.953 19.000 0.035 0.000 1.007 10 A HN 0.617 nan 8.150 nan 0.000 0.506 11 Y N 1.881 122.239 120.300 0.097 0.000 2.387 11 Y HA 0.402 4.952 4.550 -0.000 0.000 0.336 11 Y C -1.110 174.865 175.900 0.125 0.000 1.067 11 Y CA -1.536 56.645 58.100 0.136 0.000 1.114 11 Y CB 1.996 40.602 38.460 0.243 0.000 1.208 11 Y HN 0.584 nan 8.280 nan 0.000 0.458 12 P HA -0.078 nan 4.420 nan 0.000 0.230 12 P C 0.267 177.766 177.300 0.332 0.000 1.168 12 P CA 1.159 64.391 63.100 0.221 0.000 0.793 12 P CB 0.497 32.281 31.700 0.139 0.000 0.851 13 D N -0.507 120.083 120.400 0.315 0.000 2.342 13 D HA -0.038 4.602 4.640 -0.000 0.000 0.221 13 D C 0.646 177.046 176.300 0.167 0.000 1.101 13 D CA 0.001 54.141 54.000 0.232 0.000 0.837 13 D CB -0.491 40.399 40.800 0.151 0.000 0.938 13 D HN 0.189 nan 8.370 nan 0.000 0.508 14 Q N 0.996 120.931 119.800 0.225 0.000 2.639 14 Q HA 0.076 4.416 4.340 -0.000 0.000 0.301 14 Q C -0.075 175.952 176.000 0.046 0.000 1.029 14 Q CA 0.056 55.848 55.803 -0.019 0.000 0.936 14 Q CB 0.090 28.772 28.738 -0.092 0.000 1.354 14 Q HN 0.133 nan 8.270 nan 0.000 0.417 15 K N 2.976 123.249 120.400 -0.210 0.000 2.263 15 K HA 0.213 4.533 4.320 -0.000 0.000 0.282 15 K C -2.349 174.091 176.600 -0.267 0.000 1.089 15 K CA -1.895 54.035 56.287 -0.596 0.000 0.907 15 K CB 0.797 32.564 32.500 -1.220 0.000 1.148 15 K HN 0.079 nan 8.250 nan 0.000 0.470 16 P HA 0.095 nan 4.420 nan 0.000 0.276 16 P C -0.042 177.260 177.300 0.002 0.000 1.230 16 P CA -0.245 62.872 63.100 0.027 0.000 0.776 16 P CB 1.345 33.213 31.700 0.279 0.000 0.888 17 G N 1.348 110.151 108.800 0.005 0.000 2.510 17 G HA2 0.283 4.243 3.960 -0.000 0.000 0.280 17 G HA3 0.283 4.243 3.960 -0.000 0.000 0.280 17 G C 1.022 175.947 174.900 0.042 0.000 1.386 17 G CA -0.016 45.090 45.100 0.010 0.000 1.047 17 G HN 0.517 nan 8.290 nan 0.000 0.527 18 T N -2.758 111.819 114.554 0.039 0.000 3.163 18 T HA 0.065 4.415 4.350 -0.000 0.000 0.260 18 T C 1.189 175.919 174.700 0.050 0.000 1.156 18 T CA 1.084 63.210 62.100 0.043 0.000 1.072 18 T CB 0.082 68.971 68.868 0.034 0.000 0.937 18 T HN 0.162 nan 8.240 nan 0.000 0.528 19 S N 0.699 116.430 115.700 0.051 0.000 2.711 19 S HA 0.606 5.076 4.470 -0.000 0.000 0.247 19 S C 1.085 175.716 174.600 0.052 0.000 1.079 19 S CA -0.429 57.797 58.200 0.043 0.000 1.050 19 S CB 0.130 63.354 63.200 0.039 0.000 0.885 19 S HN 1.020 nan 8.310 nan 0.000 0.498 20 G N 1.841 110.694 108.800 0.088 0.000 2.633 20 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.263 20 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.263 20 G C -0.424 174.534 174.900 0.096 0.000 1.310 20 G CA -0.264 44.925 45.100 0.149 0.000 0.914 20 G HN 0.635 nan 8.290 nan 0.000 0.569 21 L N 0.777 122.053 121.223 0.088 0.000 2.282 21 L HA 0.640 4.980 4.340 -0.000 0.000 0.287 21 L C 0.931 177.840 176.870 0.066 0.000 1.075 21 L CA -0.236 54.559 54.840 -0.075 0.000 0.839 21 L CB 0.414 42.136 42.059 -0.561 0.000 1.219 21 L HN 0.593 nan 8.230 nan 0.000 0.434 22 R N 4.485 125.020 120.500 0.058 0.000 2.297 22 R HA 0.519 4.859 4.340 -0.000 0.000 0.308 22 R C -0.713 175.672 176.300 0.142 0.000 1.029 22 R CA -0.457 55.705 56.100 0.103 0.000 0.929 22 R CB 0.593 30.911 30.300 0.030 0.000 1.046 22 R HN 0.513 nan 8.270 nan 0.000 0.461 23 K N 2.240 122.809 120.400 0.282 0.000 2.507 23 K HA 0.383 4.703 4.320 -0.000 0.000 0.284 23 K C -0.830 175.902 176.600 0.220 0.000 1.038 23 K CA -1.029 55.351 56.287 0.155 0.000 0.903 23 K CB 1.191 33.648 32.500 -0.072 0.000 1.531 23 K HN 0.456 nan 8.250 nan 0.000 0.430 24 R N 0.708 121.261 120.500 0.088 0.000 2.539 24 R HA 0.156 4.495 4.340 -0.000 0.000 0.275 24 R C 1.381 177.781 176.300 0.168 0.000 1.077 24 R CA -0.146 56.015 56.100 0.102 0.000 1.097 24 R CB 0.620 30.927 30.300 0.011 0.000 1.018 24 R HN 0.322 nan 8.270 nan 0.000 0.483 25 V N 3.368 123.381 119.914 0.165 0.000 2.317 25 V HA -0.333 3.787 4.120 -0.000 0.000 0.251 25 V C 2.218 178.290 176.094 -0.037 0.000 1.065 25 V CA 1.954 64.303 62.300 0.082 0.000 1.049 25 V CB -0.375 31.514 31.823 0.111 0.000 0.651 25 V HN 0.720 nan 8.190 nan 0.000 0.450 26 K N -0.615 119.765 120.400 -0.033 0.000 2.147 26 K HA -0.125 4.194 4.320 -0.000 0.000 0.205 26 K C 2.004 178.522 176.600 -0.138 0.000 1.049 26 K CA 1.313 57.555 56.287 -0.075 0.000 0.936 26 K CB -0.322 32.142 32.500 -0.060 0.000 0.722 26 K HN 0.395 nan 8.250 nan 0.000 0.446 27 V N 0.778 120.576 119.914 -0.193 0.000 2.343 27 V HA -0.229 3.891 4.120 -0.000 0.000 0.247 27 V C 1.909 177.720 176.094 -0.472 0.000 1.051 27 V CA 1.722 63.774 62.300 -0.413 0.000 1.036 27 V CB -0.518 30.960 31.823 -0.575 0.000 0.654 27 V HN 0.174 nan 8.190 nan 0.000 0.451 28 F N 0.830 120.623 119.950 -0.261 0.000 2.113 28 F HA -0.185 4.342 4.527 -0.000 0.000 0.297 28 F C 2.714 178.340 175.800 -0.291 0.000 1.103 28 F CA 1.847 59.714 58.000 -0.223 0.000 1.248 28 F CB -0.365 38.362 39.000 -0.455 0.000 0.999 28 F HN 0.236 nan 8.300 nan 0.000 0.475 29 Q N -0.216 119.455 119.800 -0.214 0.000 2.432 29 Q HA -0.030 4.310 4.340 -0.000 0.000 0.205 29 Q C 1.529 177.509 176.000 -0.033 0.000 0.945 29 Q CA 1.282 57.011 55.803 -0.124 0.000 0.924 29 Q CB -0.220 28.425 28.738 -0.155 0.000 1.016 29 Q HN 0.410 nan 8.270 nan 0.000 0.503 30 S N -0.427 115.237 115.700 -0.060 0.000 2.527 30 S HA 0.160 4.630 4.470 -0.000 0.000 0.227 30 S C 0.881 175.467 174.600 -0.023 0.000 1.059 30 S CA -0.321 57.859 58.200 -0.032 0.000 0.919 30 S CB 0.172 63.345 63.200 -0.046 0.000 0.805 30 S HN 0.131 nan 8.310 nan 0.000 0.500 31 S N 3.667 119.320 115.700 -0.078 0.000 2.686 31 S HA 0.243 4.713 4.470 -0.000 0.000 0.324 31 S C -0.195 174.486 174.600 0.135 0.000 1.172 31 S CA -0.162 58.033 58.200 -0.008 0.000 1.127 31 S CB -0.386 62.670 63.200 -0.241 0.000 1.338 31 S HN 0.512 nan 8.310 nan 0.000 0.547 32 T N 5.338 119.993 114.554 0.168 0.000 2.656 32 T HA -0.089 4.261 4.350 -0.000 0.000 0.258 32 T C 0.915 175.788 174.700 0.289 0.000 1.020 32 T CA 0.479 62.694 62.100 0.193 0.000 1.191 32 T CB -0.374 68.588 68.868 0.157 0.000 1.004 32 T HN 0.750 nan 8.240 nan 0.000 0.498 33 N N 0.355 119.209 118.700 0.257 0.000 2.909 33 N HA -0.216 4.524 4.740 -0.000 0.000 0.242 33 N C 0.404 176.055 175.510 0.236 0.000 0.975 33 N CA 1.168 54.381 53.050 0.272 0.000 0.921 33 N CB -1.701 37.017 38.487 0.385 0.000 1.112 33 N HN 0.718 nan 8.380 nan 0.000 0.581 34 Y N 0.818 121.095 120.300 -0.038 0.000 2.049 34 Y HA -0.102 4.448 4.550 -0.000 0.000 0.277 34 Y C 2.281 178.154 175.900 -0.046 0.000 1.143 34 Y CA 2.664 60.559 58.100 -0.341 0.000 1.115 34 Y CB -0.830 37.300 38.460 -0.550 0.000 0.975 34 Y HN 0.250 nan 8.280 nan 0.000 0.487 35 A N -0.183 122.769 122.820 0.221 0.000 1.902 35 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 35 A C 2.015 179.650 177.584 0.085 0.000 1.181 35 A CA 1.976 54.200 52.037 0.311 0.000 0.623 35 A CB -0.758 18.502 19.000 0.434 0.000 0.818 35 A HN 0.535 nan 8.150 nan 0.000 0.443 36 E N 0.563 120.727 120.200 -0.061 0.000 2.058 36 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 36 E C 1.975 178.337 176.600 -0.396 0.000 0.997 36 E CA 1.512 57.693 56.400 -0.365 0.000 0.801 36 E CB -0.309 28.945 29.700 -0.743 0.000 0.746 36 E HN 0.656 nan 8.360 nan 0.000 0.450 37 N N -0.498 118.074 118.700 -0.214 0.000 2.120 37 N HA -0.162 4.578 4.740 -0.000 0.000 0.188 37 N C 1.737 177.245 175.510 -0.004 0.000 1.024 37 N CA 0.966 53.985 53.050 -0.051 0.000 0.852 37 N CB -0.250 38.306 38.487 0.116 0.000 1.003 37 N HN 0.099 nan 8.380 nan 0.000 0.424 38 F N 2.107 121.951 119.950 -0.177 0.000 2.113 38 F HA 0.006 4.533 4.527 -0.000 0.000 0.297 38 F C 2.212 177.945 175.800 -0.112 0.000 1.103 38 F CA 0.762 58.676 58.000 -0.142 0.000 1.248 38 F CB -0.418 38.490 39.000 -0.153 0.000 0.999 38 F HN -0.098 nan 8.300 nan 0.000 0.475 39 I N -0.080 120.415 120.570 -0.125 0.000 2.179 39 I HA -0.328 3.842 4.170 -0.000 0.000 0.242 39 I C 2.445 178.408 176.117 -0.257 0.000 1.088 39 I CA 1.611 62.780 61.300 -0.217 0.000 1.357 39 I CB -0.579 37.352 38.000 -0.114 0.000 1.051 39 I HN 0.161 nan 8.210 nan 0.000 0.409 40 Q N 0.915 120.591 119.800 -0.206 0.000 2.135 40 Q HA -0.197 4.143 4.340 -0.000 0.000 0.204 40 Q C 2.184 178.084 176.000 -0.168 0.000 0.981 40 Q CA 2.352 58.065 55.803 -0.151 0.000 0.856 40 Q CB -0.255 28.431 28.738 -0.086 0.000 0.902 40 Q HN 0.404 nan 8.270 nan 0.000 0.425 41 S N -0.173 115.402 115.700 -0.209 0.000 2.368 41 S HA -0.072 4.398 4.470 -0.000 0.000 0.225 41 S C 1.819 176.216 174.600 -0.338 0.000 1.030 41 S CA 1.255 59.321 58.200 -0.222 0.000 0.999 41 S CB -0.306 62.777 63.200 -0.195 0.000 0.844 41 S HN 0.423 nan 8.310 nan 0.000 0.459 42 I N 1.486 121.741 120.570 -0.525 0.000 2.142 42 I HA -0.168 4.002 4.170 -0.000 0.000 0.240 42 I C 1.970 177.791 176.117 -0.494 0.000 1.078 42 I CA 0.992 61.895 61.300 -0.662 0.000 1.343 42 I CB -0.498 37.025 38.000 -0.795 0.000 1.046 42 I HN 0.249 nan 8.210 nan 0.000 0.405 43 I N 0.804 121.172 120.570 -0.336 0.000 2.208 43 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 43 I C 2.625 178.652 176.117 -0.150 0.000 1.097 43 I CA 1.499 62.675 61.300 -0.208 0.000 1.363 43 I CB -1.514 36.402 38.000 -0.140 0.000 1.051 43 I HN 0.148 nan 8.210 nan 0.000 0.413 44 S N 0.470 116.085 115.700 -0.142 0.000 2.469 44 S HA -0.138 4.332 4.470 -0.000 0.000 0.238 44 S C 1.941 176.494 174.600 -0.079 0.000 0.998 44 S CA 1.490 59.636 58.200 -0.090 0.000 0.957 44 S CB -0.613 62.543 63.200 -0.074 0.000 0.764 44 S HN 0.715 nan 8.310 nan 0.000 0.514 45 T N -0.535 113.952 114.554 -0.112 0.000 3.085 45 T HA 0.085 4.435 4.350 -0.000 0.000 0.263 45 T C 0.523 175.211 174.700 -0.019 0.000 1.127 45 T CA 0.106 62.168 62.100 -0.064 0.000 1.103 45 T CB -0.383 68.438 68.868 -0.078 0.000 0.921 45 T HN 0.082 nan 8.240 nan 0.000 0.510 46 V N 3.405 123.303 119.914 -0.027 0.000 2.368 46 V HA 0.244 4.364 4.120 -0.000 0.000 0.266 46 V C 0.069 176.165 176.094 0.004 0.000 1.045 46 V CA -1.137 61.167 62.300 0.007 0.000 0.899 46 V CB 0.634 32.462 31.823 0.008 0.000 1.006 46 V HN 0.411 nan 8.190 nan 0.000 0.470 47 E N 6.653 126.861 120.200 0.014 0.000 2.729 47 E HA -0.035 4.315 4.350 -0.000 0.000 0.246 47 E C -1.511 175.096 176.600 0.011 0.000 0.984 47 E CA -1.513 54.893 56.400 0.011 0.000 0.951 47 E CB 0.237 29.947 29.700 0.016 0.000 0.914 47 E HN 0.400 nan 8.360 nan 0.000 0.509 48 P HA -0.322 nan 4.420 nan 0.000 0.222 48 P C 1.149 178.458 177.300 0.014 0.000 1.159 48 P CA 2.746 65.850 63.100 0.007 0.000 0.920 48 P CB 0.142 31.844 31.700 0.004 0.000 0.793 49 A N -1.025 121.804 122.820 0.015 0.000 2.024 49 A HA -0.259 4.061 4.320 -0.000 0.000 0.220 49 A C 2.086 179.684 177.584 0.025 0.000 1.164 49 A CA 1.615 53.663 52.037 0.018 0.000 0.643 49 A CB -1.103 17.905 19.000 0.015 0.000 0.806 49 A HN 0.317 nan 8.150 nan 0.000 0.451 50 Q N -1.048 118.768 119.800 0.026 0.000 2.432 50 Q HA 0.005 4.345 4.340 -0.000 0.000 0.205 50 Q C 2.027 178.050 176.000 0.039 0.000 0.945 50 Q CA 0.310 56.132 55.803 0.032 0.000 0.924 50 Q CB 0.073 28.830 28.738 0.032 0.000 1.016 50 Q HN 0.668 nan 8.270 nan 0.000 0.503 51 R N 0.291 120.813 120.500 0.038 0.000 2.062 51 R HA -0.148 4.192 4.340 -0.000 0.000 0.229 51 R C 2.183 178.522 176.300 0.064 0.000 1.128 51 R CA 1.176 57.304 56.100 0.046 0.000 0.960 51 R CB -0.183 30.137 30.300 0.033 0.000 0.855 51 R HN 0.069 nan 8.270 nan 0.000 0.432 52 Q N 1.288 121.127 119.800 0.065 0.000 2.135 52 Q HA -0.176 4.164 4.340 -0.000 0.000 0.204 52 Q C 0.893 176.940 176.000 0.078 0.000 0.981 52 Q CA 1.636 57.489 55.803 0.083 0.000 0.856 52 Q CB 0.027 28.814 28.738 0.081 0.000 0.902 52 Q HN 0.084 nan 8.270 nan 0.000 0.425 53 E N -0.599 119.639 120.200 0.062 0.000 2.403 53 E HA 0.352 4.702 4.350 -0.000 0.000 0.188 53 E C -1.058 175.572 176.600 0.051 0.000 1.056 53 E CA 0.287 56.719 56.400 0.054 0.000 0.892 53 E CB 0.161 29.887 29.700 0.044 0.000 1.049 53 E HN 0.361 nan 8.360 nan 0.000 0.465 54 A N -0.415 122.442 122.820 0.062 0.000 2.337 54 A HA 0.744 5.063 4.320 -0.000 0.000 0.331 54 A C -0.179 177.446 177.584 0.070 0.000 1.137 54 A CA -0.587 51.487 52.037 0.061 0.000 0.807 54 A CB 1.220 20.258 19.000 0.063 0.000 1.250 54 A HN 0.072 nan 8.150 nan 0.000 0.468 55 T N 1.695 116.285 114.554 0.060 0.000 2.829 55 T HA 0.598 4.948 4.350 -0.000 0.000 0.280 55 T C -0.688 174.052 174.700 0.067 0.000 0.999 55 T CA -0.222 61.913 62.100 0.059 0.000 0.983 55 T CB 0.870 69.760 68.868 0.037 0.000 0.968 55 T HN 0.449 nan 8.240 nan 0.000 0.446 56 L N 2.964 124.233 121.223 0.077 0.000 2.349 56 L HA 0.548 4.888 4.340 -0.000 0.000 0.278 56 L C -0.486 176.423 176.870 0.066 0.000 0.996 56 L CA -1.117 53.774 54.840 0.086 0.000 0.825 56 L CB 1.874 43.997 42.059 0.107 0.000 1.243 56 L HN 0.401 nan 8.230 nan 0.000 0.412 57 V N 4.487 124.432 119.914 0.051 0.000 2.546 57 V HA 0.380 4.500 4.120 -0.000 0.000 0.284 57 V C 0.023 176.141 176.094 0.040 0.000 1.050 57 V CA -0.401 61.919 62.300 0.034 0.000 0.981 57 V CB 1.755 33.588 31.823 0.016 0.000 0.990 57 V HN 0.425 nan 8.190 nan 0.000 0.474 58 V N 3.398 123.332 119.914 0.033 0.000 2.686 58 V HA 0.986 5.106 4.120 -0.000 0.000 0.306 58 V C 0.288 176.393 176.094 0.018 0.000 1.065 58 V CA 0.089 62.407 62.300 0.031 0.000 0.894 58 V CB 1.626 33.470 31.823 0.035 0.000 1.004 58 V HN 1.152 nan 8.190 nan 0.000 0.424 59 G N 1.946 110.752 108.800 0.010 0.000 2.451 59 G HA2 0.775 4.734 3.960 -0.000 0.000 0.292 59 G HA3 0.775 4.734 3.960 -0.000 0.000 0.292 59 G C -0.718 174.178 174.900 -0.006 0.000 1.427 59 G CA 0.196 45.299 45.100 0.005 0.000 0.792 59 G HN 1.154 nan 8.290 nan 0.000 0.498 60 G N -1.324 107.475 108.800 -0.001 0.000 2.749 60 G HA2 0.552 4.512 3.960 -0.000 0.000 0.300 60 G HA3 0.552 4.512 3.960 -0.000 0.000 0.300 60 G C -0.178 174.733 174.900 0.020 0.000 1.352 60 G CA 0.584 45.678 45.100 -0.009 0.000 0.789 60 G HN 0.831 nan 8.290 nan 0.000 0.509 61 D N -1.595 118.831 120.400 0.044 0.000 2.340 61 D HA 0.278 4.918 4.640 -0.000 0.000 0.220 61 D C 1.596 177.959 176.300 0.105 0.000 1.039 61 D CA 0.940 55.008 54.000 0.113 0.000 0.866 61 D CB 0.086 41.011 40.800 0.208 0.000 0.913 61 D HN 1.677 nan 8.370 nan 0.000 0.523 62 G N 1.061 109.887 108.800 0.043 0.000 2.175 62 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.244 62 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.244 62 G C 0.380 175.226 174.900 -0.091 0.000 0.982 62 G CA 0.069 45.154 45.100 -0.026 0.000 0.641 62 G HN 0.748 nan 8.290 nan 0.000 0.527 63 R N -0.610 119.872 120.500 -0.031 0.000 2.774 63 R HA 0.528 4.868 4.340 -0.000 0.000 0.269 63 R C 0.601 177.009 176.300 0.180 0.000 1.068 63 R CA -0.407 55.702 56.100 0.014 0.000 1.180 63 R CB 0.457 30.922 30.300 0.276 0.000 1.077 63 R HN 0.372 nan 8.270 nan 0.000 0.513 64 F N 2.019 122.001 119.950 0.053 0.000 2.629 64 F HA -0.115 4.412 4.527 -0.000 0.000 0.377 64 F C 0.711 176.621 175.800 0.183 0.000 1.101 64 F CA 1.409 59.457 58.000 0.080 0.000 1.301 64 F CB 0.031 39.067 39.000 0.059 0.000 1.062 64 F HN 0.801 nan 8.300 nan 0.000 0.583 65 Y N 3.100 123.041 120.300 -0.598 0.000 4.894 65 Y HA -0.456 4.094 4.550 -0.000 0.000 0.270 65 Y C 1.555 177.278 175.900 -0.295 0.000 0.930 65 Y CA 1.253 58.991 58.100 -0.603 0.000 1.814 65 Y CB -1.705 36.288 38.460 -0.779 0.000 1.235 65 Y HN 0.713 nan 8.280 nan 0.000 0.480 66 M N 0.244 119.865 119.600 0.035 0.000 2.065 66 M HA -0.289 4.191 4.480 -0.000 0.000 0.259 66 M C 1.975 178.209 176.300 -0.111 0.000 1.069 66 M CA 2.670 58.037 55.300 0.112 0.000 1.110 66 M CB -0.136 32.525 32.600 0.101 0.000 1.328 66 M HN 0.219 nan 8.290 nan 0.000 0.405 67 K N 0.622 120.923 120.400 -0.165 0.000 2.020 67 K HA -0.214 4.106 4.320 -0.000 0.000 0.212 67 K C 1.815 178.265 176.600 -0.250 0.000 1.050 67 K CA 2.075 58.257 56.287 -0.174 0.000 0.929 67 K CB -0.641 31.763 32.500 -0.160 0.000 0.714 67 K HN 0.508 nan 8.250 nan 0.000 0.443 68 E N -0.479 119.478 120.200 -0.404 0.000 2.110 68 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 68 E C 1.792 178.061 176.600 -0.551 0.000 0.988 68 E CA 1.033 57.143 56.400 -0.482 0.000 0.804 68 E CB -0.078 29.234 29.700 -0.647 0.000 0.745 68 E HN 0.327 nan 8.360 nan 0.000 0.458 69 A N 0.851 123.234 122.820 -0.728 0.000 1.902 69 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 69 A C 2.119 179.592 177.584 -0.185 0.000 1.181 69 A CA 1.289 53.062 52.037 -0.440 0.000 0.623 69 A CB -0.565 18.332 19.000 -0.171 0.000 0.818 69 A HN 0.306 nan 8.150 nan 0.000 0.443 70 I N -0.607 119.876 120.570 -0.146 0.000 2.202 70 I HA -0.257 3.913 4.170 -0.000 0.000 0.242 70 I C 2.660 178.727 176.117 -0.084 0.000 1.091 70 I CA 1.109 62.362 61.300 -0.079 0.000 1.368 70 I CB -0.377 37.590 38.000 -0.056 0.000 1.058 70 I HN 0.323 nan 8.210 nan 0.000 0.410 71 Q N 0.584 120.316 119.800 -0.113 0.000 2.135 71 Q HA -0.176 4.164 4.340 -0.000 0.000 0.204 71 Q C 2.382 178.325 176.000 -0.094 0.000 0.981 71 Q CA 1.565 57.311 55.803 -0.095 0.000 0.856 71 Q CB -0.457 28.219 28.738 -0.104 0.000 0.902 71 Q HN 0.553 nan 8.270 nan 0.000 0.425 72 L N -0.024 121.133 121.223 -0.111 0.000 2.056 72 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 72 L C 2.410 179.228 176.870 -0.086 0.000 1.078 72 L CA 0.824 55.608 54.840 -0.093 0.000 0.749 72 L CB -0.435 41.568 42.059 -0.093 0.000 0.901 72 L HN 0.166 nan 8.230 nan 0.000 0.433 73 I N -0.999 119.528 120.570 -0.072 0.000 2.208 73 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 73 I C 2.478 178.568 176.117 -0.044 0.000 1.097 73 I CA 1.030 62.298 61.300 -0.054 0.000 1.363 73 I CB -0.324 37.660 38.000 -0.026 0.000 1.051 73 I HN 0.042 nan 8.210 nan 0.000 0.413 74 V N 1.186 121.081 119.914 -0.031 0.000 2.237 74 V HA -0.286 3.834 4.120 -0.000 0.000 0.245 74 V C 2.593 178.611 176.094 -0.127 0.000 1.046 74 V CA 2.000 64.300 62.300 0.000 0.000 1.007 74 V CB -0.702 31.124 31.823 0.005 0.000 0.638 74 V HN 0.397 nan 8.190 nan 0.000 0.445 75 R N -0.443 119.973 120.500 -0.141 0.000 2.096 75 R HA -0.077 4.263 4.340 -0.000 0.000 0.235 75 R C 2.188 178.380 176.300 -0.180 0.000 1.127 75 R CA 1.591 57.583 56.100 -0.180 0.000 0.968 75 R CB -0.443 29.790 30.300 -0.112 0.000 0.861 75 R HN 0.434 nan 8.270 nan 0.000 0.440 76 I N 0.763 121.253 120.570 -0.133 0.000 2.286 76 I HA -0.192 3.978 4.170 -0.000 0.000 0.245 76 I C 2.632 178.656 176.117 -0.154 0.000 1.104 76 I CA 1.059 62.291 61.300 -0.112 0.000 1.397 76 I CB -0.327 37.609 38.000 -0.106 0.000 1.072 76 I HN 0.155 nan 8.210 nan 0.000 0.417 77 A N 0.793 123.513 122.820 -0.167 0.000 1.908 77 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 77 A C 2.529 179.914 177.584 -0.331 0.000 1.181 77 A CA 2.013 53.953 52.037 -0.162 0.000 0.627 77 A CB -0.974 17.996 19.000 -0.050 0.000 0.818 77 A HN 0.425 nan 8.150 nan 0.000 0.445 78 A N -0.002 122.418 122.820 -0.667 0.000 1.841 78 A HA 0.069 4.389 4.320 -0.000 0.000 0.216 78 A C 2.560 179.865 177.584 -0.465 0.000 1.199 78 A CA 2.622 54.025 52.037 -1.056 0.000 0.621 78 A CB -1.313 17.000 19.000 -1.145 0.000 0.835 78 A HN 1.246 nan 8.150 nan 0.000 0.445 79 A N -0.488 122.154 122.820 -0.298 0.000 2.024 79 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 79 A C 1.782 179.303 177.584 -0.105 0.000 1.164 79 A CA 1.544 53.489 52.037 -0.154 0.000 0.643 79 A CB -0.634 18.308 19.000 -0.096 0.000 0.806 79 A HN 0.626 nan 8.150 nan 0.000 0.451 80 N N -0.838 117.794 118.700 -0.114 0.000 2.461 80 N HA 0.096 4.836 4.740 -0.000 0.000 0.188 80 N C 1.031 176.510 175.510 -0.051 0.000 1.134 80 N CA 0.864 53.873 53.050 -0.069 0.000 0.878 80 N CB 0.257 38.704 38.487 -0.067 0.000 0.972 80 N HN 0.639 nan 8.380 nan 0.000 0.456 81 G N 1.247 110.011 108.800 -0.061 0.000 2.141 81 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.242 81 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.242 81 G C 0.074 174.995 174.900 0.035 0.000 0.982 81 G CA -0.333 44.764 45.100 -0.006 0.000 0.662 81 G HN 0.284 nan 8.290 nan 0.000 0.527 82 I N 1.674 122.262 120.570 0.029 0.000 2.396 82 I HA 0.382 4.552 4.170 -0.000 0.000 0.289 82 I C 2.017 178.293 176.117 0.266 0.000 1.056 82 I CA 0.402 61.770 61.300 0.114 0.000 1.365 82 I CB 1.014 39.075 38.000 0.102 0.000 1.407 82 I HN 0.099 nan 8.210 nan 0.000 0.509 83 G N 6.608 115.531 108.800 0.204 0.000 2.628 83 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.217 83 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.217 83 G C 0.824 175.842 174.900 0.197 0.000 1.240 83 G CA 0.585 45.807 45.100 0.203 0.000 0.792 83 G HN 0.600 nan 8.290 nan 0.000 0.593 84 R N -0.970 119.605 120.500 0.125 0.000 2.628 84 R HA 0.569 4.908 4.340 -0.000 0.000 0.288 84 R C -1.527 174.805 176.300 0.053 0.000 0.980 84 R CA -0.710 55.398 56.100 0.014 0.000 0.891 84 R CB 1.191 31.481 30.300 -0.017 0.000 1.188 84 R HN 0.138 nan 8.270 nan 0.000 0.450 85 L N 4.705 125.919 121.223 -0.014 0.000 2.298 85 L HA 0.454 4.794 4.340 -0.000 0.000 0.284 85 L C -0.656 176.214 176.870 0.000 0.000 1.013 85 L CA -1.093 53.776 54.840 0.047 0.000 0.824 85 L CB 1.923 44.052 42.059 0.117 0.000 1.221 85 L HN 0.376 nan 8.230 nan 0.000 0.418 86 V N 5.510 125.433 119.914 0.015 0.000 2.383 86 V HA 0.421 4.541 4.120 -0.000 0.000 0.275 86 V C 0.190 176.295 176.094 0.017 0.000 1.036 86 V CA -0.190 62.114 62.300 0.007 0.000 0.889 86 V CB 1.714 33.542 31.823 0.010 0.000 0.985 86 V HN 0.504 nan 8.190 nan 0.000 0.459 87 I N 3.763 124.341 120.570 0.014 0.000 2.433 87 I HA 0.539 4.709 4.170 -0.000 0.000 0.292 87 I C 1.014 177.140 176.117 0.015 0.000 1.001 87 I CA -0.511 60.799 61.300 0.017 0.000 1.119 87 I CB 1.869 39.879 38.000 0.017 0.000 1.289 87 I HN 0.681 nan 8.210 nan 0.000 0.438 88 G N 3.627 112.439 108.800 0.019 0.000 2.614 88 G HA2 0.057 4.017 3.960 -0.000 0.000 0.239 88 G HA3 0.057 4.017 3.960 -0.000 0.000 0.239 88 G C -0.281 174.625 174.900 0.010 0.000 1.240 88 G CA -0.267 44.846 45.100 0.021 0.000 0.842 88 G HN 0.701 nan 8.290 nan 0.000 0.584 89 Q N 0.060 119.860 119.800 0.001 0.000 2.300 89 Q HA 0.025 4.365 4.340 -0.000 0.000 0.280 89 Q C 0.572 176.569 176.000 -0.006 0.000 1.033 89 Q CA 0.551 56.351 55.803 -0.005 0.000 0.903 89 Q CB -0.103 28.627 28.738 -0.015 0.000 1.195 89 Q HN 0.729 nan 8.270 nan 0.000 0.386 90 N N 2.573 121.270 118.700 -0.006 0.000 2.800 90 N HA -0.262 4.478 4.740 -0.000 0.000 0.250 90 N C 0.444 175.949 175.510 -0.009 0.000 1.078 90 N CA 0.533 53.578 53.050 -0.009 0.000 0.804 90 N CB -1.171 37.309 38.487 -0.011 0.000 1.135 90 N HN 1.001 nan 8.380 nan 0.000 0.565 91 G N -1.017 107.780 108.800 -0.004 0.000 2.184 91 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.264 91 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.264 91 G C 0.144 175.051 174.900 0.011 0.000 0.975 91 G CA 0.333 45.432 45.100 -0.001 0.000 0.642 91 G HN 0.407 nan 8.290 nan 0.000 0.536 92 I N 0.847 121.428 120.570 0.018 0.000 2.421 92 I HA 0.437 4.607 4.170 -0.000 0.000 0.291 92 I C -0.041 176.117 176.117 0.069 0.000 1.089 92 I CA 0.062 61.387 61.300 0.042 0.000 1.354 92 I CB 0.819 38.844 38.000 0.041 0.000 1.413 92 I HN 0.107 nan 8.210 nan 0.000 0.513 93 L N 7.017 128.283 121.223 0.072 0.000 2.611 93 L HA 0.210 4.550 4.340 -0.000 0.000 0.263 93 L C 0.339 177.213 176.870 0.006 0.000 0.969 93 L CA -0.188 54.701 54.840 0.081 0.000 0.894 93 L CB 1.621 43.705 42.059 0.042 0.000 1.229 93 L HN 0.661 nan 8.230 nan 0.000 0.416 94 S N 1.812 117.473 115.700 -0.064 0.000 2.566 94 S HA 0.069 4.539 4.470 -0.000 0.000 0.280 94 S C 1.162 175.612 174.600 -0.250 0.000 1.343 94 S CA 0.586 58.627 58.200 -0.266 0.000 1.036 94 S CB 0.751 63.529 63.200 -0.703 0.000 0.866 94 S HN 0.706 nan 8.310 nan 0.000 0.526 95 T N 3.534 117.955 114.554 -0.221 0.000 2.665 95 T HA -0.039 4.311 4.350 -0.000 0.000 0.268 95 T C -0.756 173.803 174.700 -0.235 0.000 1.035 95 T CA 1.860 63.842 62.100 -0.197 0.000 1.151 95 T CB -1.256 67.507 68.868 -0.174 0.000 0.862 95 T HN 0.728 nan 8.240 nan 0.000 0.438 96 P HA 0.049 nan 4.420 nan 0.000 0.217 96 P C 1.384 178.575 177.300 -0.182 0.000 1.151 96 P CA 1.196 64.155 63.100 -0.235 0.000 0.828 96 P CB -0.165 31.421 31.700 -0.190 0.000 0.788 97 A N 0.107 122.724 122.820 -0.338 0.000 1.933 97 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 97 A C 2.446 180.008 177.584 -0.038 0.000 1.175 97 A CA 1.757 53.715 52.037 -0.132 0.000 0.628 97 A CB -1.652 17.291 19.000 -0.096 0.000 0.814 97 A HN 0.061 nan 8.150 nan 0.000 0.444 98 V N -0.714 119.148 119.914 -0.087 0.000 2.358 98 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 98 V C 2.761 178.811 176.094 -0.073 0.000 1.047 98 V CA 2.184 64.447 62.300 -0.062 0.000 1.035 98 V CB -0.790 30.987 31.823 -0.077 0.000 0.658 98 V HN 0.635 nan 8.190 nan 0.000 0.452 99 S N -0.852 114.779 115.700 -0.115 0.000 2.353 99 S HA -0.290 4.180 4.470 -0.000 0.000 0.222 99 S C 2.198 176.754 174.600 -0.073 0.000 1.035 99 S CA 2.069 60.190 58.200 -0.132 0.000 1.025 99 S CB -0.693 62.381 63.200 -0.210 0.000 0.902 99 S HN 0.748 nan 8.310 nan 0.000 0.440 100 C N 1.232 120.521 119.300 -0.019 0.000 2.413 100 C HA -0.055 4.405 4.460 -0.000 0.000 0.276 100 C C 2.415 177.426 174.990 0.035 0.000 1.236 100 C CA 1.087 60.128 59.018 0.038 0.000 1.735 100 C CB -1.675 26.158 27.740 0.154 0.000 2.031 100 C HN 0.697 nan 8.230 nan 0.000 0.474 101 I N 0.518 121.111 120.570 0.039 0.000 2.252 101 I HA -0.150 4.020 4.170 -0.000 0.000 0.245 101 I C 2.502 178.624 176.117 0.009 0.000 1.102 101 I CA 1.745 63.063 61.300 0.031 0.000 1.385 101 I CB -0.416 37.605 38.000 0.035 0.000 1.064 101 I HN 0.344 nan 8.210 nan 0.000 0.414 102 I N 0.548 121.111 120.570 -0.011 0.000 2.118 102 I HA -0.343 3.827 4.170 -0.000 0.000 0.241 102 I C 2.736 178.843 176.117 -0.017 0.000 1.070 102 I CA 1.647 62.934 61.300 -0.022 0.000 1.327 102 I CB -0.367 37.600 38.000 -0.054 0.000 1.034 102 I HN 0.151 nan 8.210 nan 0.000 0.405 103 R N 0.295 120.783 120.500 -0.020 0.000 2.096 103 R HA -0.188 4.152 4.340 -0.000 0.000 0.235 103 R C 2.341 178.641 176.300 0.001 0.000 1.127 103 R CA 1.273 57.365 56.100 -0.012 0.000 0.968 103 R CB -0.281 30.009 30.300 -0.017 0.000 0.861 103 R HN 0.333 nan 8.270 nan 0.000 0.440 104 K N 1.423 121.827 120.400 0.007 0.000 2.007 104 K HA -0.082 4.238 4.320 -0.000 0.000 0.206 104 K C 1.818 178.425 176.600 0.010 0.000 1.047 104 K CA 1.327 57.621 56.287 0.012 0.000 0.937 104 K CB 0.041 32.553 32.500 0.020 0.000 0.718 104 K HN 0.264 nan 8.250 nan 0.000 0.438 105 I N -1.706 118.870 120.570 0.010 0.000 3.806 105 I HA 0.118 4.288 4.170 -0.000 0.000 0.321 105 I C -0.774 175.349 176.117 0.010 0.000 1.315 105 I CA -0.267 61.039 61.300 0.010 0.000 1.148 105 I CB 0.184 38.191 38.000 0.011 0.000 1.028 105 I HN 0.016 nan 8.210 nan 0.000 0.415 106 K N 1.346 121.750 120.400 0.007 0.000 3.257 106 K HA -0.175 4.145 4.320 -0.000 0.000 0.270 106 K C 0.340 176.946 176.600 0.010 0.000 0.984 106 K CA 0.779 57.070 56.287 0.007 0.000 0.739 106 K CB -1.687 30.819 32.500 0.009 0.000 1.351 106 K HN 0.686 nan 8.250 nan 0.000 0.463 107 A N 0.713 123.537 122.820 0.007 0.000 2.386 107 A HA 0.272 4.592 4.320 -0.000 0.000 0.248 107 A C 1.583 179.174 177.584 0.012 0.000 1.082 107 A CA -0.116 51.929 52.037 0.013 0.000 0.789 107 A CB 0.346 19.351 19.000 0.009 0.000 1.025 107 A HN 0.490 nan 8.150 nan 0.000 0.490 108 I N 0.288 120.877 120.570 0.032 0.000 2.493 108 I HA 0.137 4.307 4.170 -0.000 0.000 0.254 108 I C 1.059 177.188 176.117 0.020 0.000 1.160 108 I CA 1.679 63.004 61.300 0.042 0.000 1.445 108 I CB 0.030 38.075 38.000 0.074 0.000 1.086 108 I HN 0.890 nan 8.210 nan 0.000 0.433 109 G N -1.138 107.668 108.800 0.009 0.000 2.327 109 G HA2 0.422 4.382 3.960 -0.000 0.000 0.291 109 G HA3 0.422 4.382 3.960 -0.000 0.000 0.291 109 G C -1.131 173.764 174.900 -0.007 0.000 1.290 109 G CA -0.165 44.880 45.100 -0.091 0.000 0.857 109 G HN 0.316 nan 8.290 nan 0.000 0.520 110 G N -1.179 107.582 108.800 -0.064 0.000 2.696 110 G HA2 0.634 4.594 3.960 -0.000 0.000 0.295 110 G HA3 0.634 4.594 3.960 -0.000 0.000 0.295 110 G C -1.278 173.710 174.900 0.146 0.000 1.398 110 G CA -0.694 44.435 45.100 0.047 0.000 0.920 110 G HN 0.703 nan 8.290 nan 0.000 0.492 111 I N 1.606 122.272 120.570 0.160 0.000 2.328 111 I HA 0.322 4.492 4.170 -0.000 0.000 0.287 111 I C -0.343 175.815 176.117 0.069 0.000 1.012 111 I CA -0.469 60.933 61.300 0.170 0.000 1.195 111 I CB 1.347 39.419 38.000 0.119 0.000 1.350 111 I HN 0.180 nan 8.210 nan 0.000 0.464 112 I N 7.042 127.637 120.570 0.042 0.000 2.307 112 I HA 0.175 4.345 4.170 -0.000 0.000 0.289 112 I C -0.330 175.754 176.117 -0.056 0.000 1.021 112 I CA -0.771 60.519 61.300 -0.017 0.000 1.224 112 I CB 0.992 38.966 38.000 -0.044 0.000 1.376 112 I HN 0.274 nan 8.210 nan 0.000 0.470 113 L N 7.386 128.559 121.223 -0.082 0.000 2.404 113 L HA 0.297 4.637 4.340 -0.000 0.000 0.277 113 L C 0.166 176.893 176.870 -0.238 0.000 1.184 113 L CA 0.475 55.195 54.840 -0.200 0.000 1.013 113 L CB -1.108 40.886 42.059 -0.108 0.000 1.318 113 L HN 0.655 nan 8.230 nan 0.000 0.435 114 T N -0.097 114.289 114.554 -0.280 0.000 2.894 114 T HA 0.868 5.218 4.350 -0.000 0.000 0.309 114 T C -0.226 174.345 174.700 -0.216 0.000 1.208 114 T CA -0.734 61.250 62.100 -0.195 0.000 1.016 114 T CB 2.511 71.319 68.868 -0.101 0.000 1.192 114 T HN 0.433 nan 8.240 nan 0.000 0.491 118 N N 6.353 124.544 118.700 -0.849 0.000 2.454 118 N HA 0.156 4.896 4.740 -0.000 0.000 0.260 118 N C -2.323 172.881 175.510 -0.510 0.000 1.218 118 N CA -0.638 51.973 53.050 -0.730 0.000 0.904 118 N CB 0.578 38.787 38.487 -0.464 0.000 1.065 118 N HN 0.283 nan 8.380 nan 0.000 0.462 119 P HA 0.030 nan 4.420 nan 0.000 0.266 119 P C 0.107 177.436 177.300 0.048 0.000 1.193 119 P CA 0.008 62.972 63.100 -0.226 0.000 0.770 119 P CB 0.555 32.130 31.700 -0.207 0.000 0.836 120 G N -0.070 108.922 108.800 0.320 0.000 2.597 120 G HA2 0.726 4.686 3.960 -0.000 0.000 0.317 120 G HA3 0.726 4.686 3.960 -0.000 0.000 0.317 120 G C -0.211 174.793 174.900 0.173 0.000 1.230 120 G CA -0.461 44.859 45.100 0.367 0.000 0.996 120 G HN 0.836 nan 8.290 nan 0.000 0.490 121 G N -0.900 107.961 108.800 0.102 0.000 2.408 121 G HA2 0.089 4.049 3.960 -0.000 0.000 0.682 121 G HA3 0.089 4.049 3.960 -0.000 0.000 0.682 121 G C -2.011 172.654 174.900 -0.393 0.000 1.303 121 G CA 0.015 45.023 45.100 -0.153 0.000 0.966 121 G HN 0.545 nan 8.290 nan 0.000 0.560 122 P HA -0.106 nan 4.420 nan 0.000 0.216 122 P C 1.240 178.390 177.300 -0.249 0.000 1.157 122 P CA 1.829 64.517 63.100 -0.688 0.000 0.880 122 P CB 0.027 31.395 31.700 -0.552 0.000 0.791 123 N N -1.245 117.357 118.700 -0.163 0.000 2.276 123 N HA 0.112 4.852 4.740 -0.000 0.000 0.212 123 N C 0.986 176.481 175.510 -0.024 0.000 1.127 123 N CA 0.279 53.286 53.050 -0.072 0.000 0.834 123 N CB 0.358 38.807 38.487 -0.062 0.000 1.014 123 N HN 0.150 nan 8.380 nan 0.000 0.491 124 G N -0.197 108.603 108.800 -0.000 0.000 2.641 124 G HA2 0.229 4.189 3.960 -0.000 0.000 0.239 124 G HA3 0.229 4.189 3.960 -0.000 0.000 0.239 124 G C -0.363 174.589 174.900 0.086 0.000 1.402 124 G CA -0.358 44.767 45.100 0.041 0.000 1.046 124 G HN -0.023 nan 8.290 nan 0.000 0.565 125 D N -0.927 119.528 120.400 0.092 0.000 2.268 125 D HA 0.535 5.175 4.640 -0.000 0.000 0.249 125 D C -1.452 175.000 176.300 0.254 0.000 1.008 125 D CA 0.150 54.230 54.000 0.133 0.000 0.939 125 D CB 2.523 43.334 40.800 0.017 0.000 1.170 125 D HN 0.123 nan 8.370 nan 0.000 0.468 126 F N -0.608 119.412 119.950 0.117 0.000 2.601 126 F HA 0.529 5.056 4.527 0.000 0.000 0.309 126 F C -0.559 175.294 175.800 0.088 0.000 1.089 126 F CA -0.287 57.761 58.000 0.079 0.000 0.940 126 F CB 2.399 41.391 39.000 -0.014 0.000 1.273 126 F HN 0.351 nan 8.300 nan 0.000 0.450 127 G N 4.328 112.733 108.800 -0.657 0.000 2.706 127 G HA2 0.622 4.582 3.960 -0.000 0.000 0.297 127 G HA3 0.622 4.582 3.960 -0.000 0.000 0.297 127 G C -2.102 172.580 174.900 -0.363 0.000 1.403 127 G CA -0.658 44.276 45.100 -0.276 0.000 0.954 127 G HN 0.649 nan 8.290 nan 0.000 0.500 128 I N 1.695 122.246 120.570 -0.031 0.000 2.420 128 I HA 0.347 4.517 4.170 -0.000 0.000 0.282 128 I C 0.156 176.391 176.117 0.197 0.000 1.019 128 I CA -0.604 60.749 61.300 0.088 0.000 1.130 128 I CB 1.776 39.976 38.000 0.334 0.000 1.262 128 I HN 0.301 nan 8.210 nan 0.000 0.454 129 K N 6.642 127.106 120.400 0.108 0.000 2.098 129 K HA 0.549 4.869 4.320 -0.000 0.000 0.258 129 K C -1.629 175.099 176.600 0.213 0.000 0.973 129 K CA -0.498 55.871 56.287 0.137 0.000 0.898 129 K CB 1.846 34.371 32.500 0.041 0.000 1.057 129 K HN 0.475 nan 8.250 nan 0.000 0.447 130 F N 3.004 122.969 119.950 0.025 0.000 2.536 130 F HA 0.385 4.912 4.527 0.000 0.000 0.322 130 F C -1.157 174.636 175.800 -0.012 0.000 1.144 130 F CA -0.939 57.057 58.000 -0.006 0.000 0.924 130 F CB 1.538 40.524 39.000 -0.023 0.000 1.181 130 F HN 0.565 nan 8.300 nan 0.000 0.438 131 N N 5.799 124.158 118.700 -0.568 0.000 2.417 131 N HA 0.591 5.331 4.740 -0.000 0.000 0.300 131 N C -0.735 174.225 175.510 -0.916 0.000 1.102 131 N CA -0.570 52.139 53.050 -0.568 0.000 0.886 131 N CB 1.855 40.157 38.487 -0.307 0.000 1.203 131 N HN 0.613 nan 8.380 nan 0.000 0.496 132 I N -2.036 118.189 120.570 -0.575 0.000 3.076 132 I HA 0.450 4.620 4.170 -0.000 0.000 0.313 132 I C 1.443 177.433 176.117 -0.212 0.000 1.053 132 I CA -0.811 60.227 61.300 -0.437 0.000 1.048 132 I CB 1.431 39.266 38.000 -0.275 0.000 1.264 132 I HN 0.566 nan 8.210 nan 0.000 0.498 133 S N 1.456 117.088 115.700 -0.115 0.000 2.434 133 S HA -0.316 4.154 4.470 -0.000 0.000 0.243 133 S C 1.334 175.903 174.600 -0.051 0.000 1.045 133 S CA 1.975 60.140 58.200 -0.059 0.000 1.019 133 S CB -1.189 61.997 63.200 -0.023 0.000 0.811 133 S HN 0.951 nan 8.310 nan 0.000 0.485 134 N N 1.306 119.973 118.700 -0.055 0.000 2.398 134 N HA 0.174 4.914 4.740 -0.000 0.000 0.188 134 N C 1.346 176.826 175.510 -0.050 0.000 1.122 134 N CA 0.925 53.954 53.050 -0.034 0.000 0.866 134 N CB -0.514 37.967 38.487 -0.011 0.000 0.970 134 N HN 0.762 nan 8.380 nan 0.000 0.462 135 G N -1.405 107.342 108.800 -0.088 0.000 2.225 135 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.254 135 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.254 135 G C 0.361 175.167 174.900 -0.158 0.000 0.988 135 G CA 0.177 45.207 45.100 -0.116 0.000 0.625 135 G HN 0.805 nan 8.290 nan 0.000 0.527 136 G N -0.002 108.722 108.800 -0.126 0.000 2.535 136 G HA2 0.690 4.650 3.960 -0.000 0.000 0.303 136 G HA3 0.690 4.650 3.960 -0.000 0.000 0.303 136 G C -2.594 172.221 174.900 -0.141 0.000 1.237 136 G CA -1.043 43.982 45.100 -0.124 0.000 0.986 136 G HN 0.191 nan 8.290 nan 0.000 0.494 137 P HA 0.304 nan 4.420 nan 0.000 0.271 137 P C -0.053 177.197 177.300 -0.083 0.000 1.216 137 P CA -0.061 62.988 63.100 -0.086 0.000 0.776 137 P CB 0.824 32.512 31.700 -0.020 0.000 0.881 138 A N 5.497 128.254 122.820 -0.106 0.000 2.540 138 A HA 0.306 4.626 4.320 -0.000 0.000 0.239 138 A C -1.687 175.904 177.584 0.013 0.000 1.061 138 A CA -0.629 51.378 52.037 -0.050 0.000 0.758 138 A CB -1.126 17.925 19.000 0.084 0.000 0.991 138 A HN 0.439 nan 8.150 nan 0.000 0.502 139 P HA 0.118 nan 4.420 nan 0.000 0.277 139 P C 0.683 178.001 177.300 0.030 0.000 1.271 139 P CA -0.399 62.703 63.100 0.004 0.000 0.795 139 P CB 0.741 32.437 31.700 -0.007 0.000 1.101 140 E N 0.587 120.797 120.200 0.016 0.000 2.048 140 E HA -0.286 4.064 4.350 -0.000 0.000 0.202 140 E C 1.889 178.524 176.600 0.060 0.000 1.021 140 E CA 2.049 58.471 56.400 0.037 0.000 0.825 140 E CB -0.634 29.081 29.700 0.026 0.000 0.756 140 E HN 0.479 nan 8.360 nan 0.000 0.454 141 A N 1.057 123.908 122.820 0.052 0.000 1.958 141 A HA -0.217 4.103 4.320 -0.000 0.000 0.221 141 A C 2.110 179.741 177.584 0.078 0.000 1.178 141 A CA 1.745 53.819 52.037 0.061 0.000 0.642 141 A CB -0.529 18.499 19.000 0.047 0.000 0.816 141 A HN 0.365 nan 8.150 nan 0.000 0.453 142 I N 0.272 120.894 120.570 0.088 0.000 2.406 142 I HA -0.120 4.050 4.170 -0.000 0.000 0.249 142 I C 2.474 178.675 176.117 0.139 0.000 1.122 142 I CA 1.974 63.346 61.300 0.120 0.000 1.431 142 I CB -1.854 36.239 38.000 0.156 0.000 1.087 142 I HN 0.473 nan 8.210 nan 0.000 0.424 143 T N -1.404 113.233 114.554 0.138 0.000 2.995 143 T HA -0.065 4.285 4.350 -0.000 0.000 0.269 143 T C 1.432 176.238 174.700 0.177 0.000 1.091 143 T CA 0.717 62.912 62.100 0.159 0.000 1.128 143 T CB -0.151 68.799 68.868 0.136 0.000 0.891 143 T HN 0.157 nan 8.240 nan 0.000 0.492 144 D N 1.598 122.091 120.400 0.155 0.000 2.084 144 D HA -0.028 4.612 4.640 -0.000 0.000 0.196 144 D C 2.075 178.484 176.300 0.182 0.000 0.985 144 D CA 0.968 55.081 54.000 0.187 0.000 0.826 144 D CB -0.251 40.627 40.800 0.131 0.000 0.978 144 D HN 0.328 nan 8.370 nan 0.000 0.456 145 K N 0.527 120.998 120.400 0.118 0.000 2.015 145 K HA -0.170 4.150 4.320 -0.000 0.000 0.216 145 K C 2.313 178.954 176.600 0.068 0.000 1.052 145 K CA 1.154 57.486 56.287 0.074 0.000 0.937 145 K CB -0.367 32.166 32.500 0.055 0.000 0.719 145 K HN 0.109 nan 8.250 nan 0.000 0.446 146 I N 0.131 120.746 120.570 0.075 0.000 2.194 146 I HA -0.300 3.870 4.170 -0.000 0.000 0.246 146 I C 2.351 178.578 176.117 0.184 0.000 1.093 146 I CA 1.440 62.766 61.300 0.043 0.000 1.355 146 I CB -0.332 37.664 38.000 -0.007 0.000 1.046 146 I HN 0.216 nan 8.210 nan 0.000 0.413 147 F N 1.339 121.348 119.950 0.098 0.000 2.186 147 F HA -0.245 4.282 4.527 0.000 0.000 0.299 147 F C 2.681 178.529 175.800 0.079 0.000 1.090 147 F CA 0.992 59.061 58.000 0.115 0.000 1.307 147 F CB 0.044 39.106 39.000 0.103 0.000 1.019 147 F HN 0.049 nan 8.300 nan 0.000 0.489 148 Q N 0.937 120.694 119.800 -0.071 0.000 2.020 148 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 148 Q C 2.331 178.245 176.000 -0.143 0.000 0.982 148 Q CA 1.976 57.664 55.803 -0.191 0.000 0.838 148 Q CB -0.868 27.830 28.738 -0.067 0.000 0.899 148 Q HN 0.532 nan 8.270 nan 0.000 0.423 149 I N 1.448 121.985 120.570 -0.055 0.000 2.208 149 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 149 I C 2.437 178.544 176.117 -0.016 0.000 1.097 149 I CA 1.552 62.832 61.300 -0.034 0.000 1.363 149 I CB -0.563 37.419 38.000 -0.030 0.000 1.051 149 I HN 0.186 nan 8.210 nan 0.000 0.413 150 S N 1.609 117.320 115.700 0.019 0.000 2.419 150 S HA -0.204 4.266 4.470 -0.000 0.000 0.233 150 S C 1.811 176.446 174.600 0.058 0.000 1.016 150 S CA 1.245 59.500 58.200 0.092 0.000 0.974 150 S CB -0.439 62.913 63.200 0.253 0.000 0.786 150 S HN 0.648 nan 8.310 nan 0.000 0.492 151 K N 0.923 121.277 120.400 -0.076 0.000 2.367 151 K HA 0.114 4.434 4.320 -0.000 0.000 0.194 151 K C 0.909 177.466 176.600 -0.071 0.000 1.027 151 K CA 0.757 56.989 56.287 -0.092 0.000 1.075 151 K CB -0.082 32.258 32.500 -0.266 0.000 0.845 151 K HN 0.436 nan 8.250 nan 0.000 0.529 152 T N -0.857 113.660 114.554 -0.062 0.000 3.293 152 T HA 0.342 4.692 4.350 -0.000 0.000 0.276 152 T C -0.015 174.678 174.700 -0.012 0.000 1.003 152 T CA -0.669 61.406 62.100 -0.041 0.000 0.916 152 T CB -0.287 68.550 68.868 -0.051 0.000 1.134 152 T HN 0.218 nan 8.240 nan 0.000 0.530 153 I N 1.780 122.357 120.570 0.012 0.000 2.304 153 I HA 0.350 4.520 4.170 -0.000 0.000 0.291 153 I C 0.598 176.744 176.117 0.048 0.000 1.018 153 I CA -0.599 60.724 61.300 0.038 0.000 1.260 153 I CB 1.343 39.383 38.000 0.068 0.000 1.390 153 I HN 0.123 nan 8.210 nan 0.000 0.475 154 E N 5.018 125.238 120.200 0.033 0.000 2.166 154 E HA 0.068 4.418 4.350 -0.000 0.000 0.192 154 E C -0.518 176.095 176.600 0.022 0.000 0.967 154 E CA 0.674 57.087 56.400 0.022 0.000 0.840 154 E CB 0.310 30.011 29.700 0.001 0.000 0.795 154 E HN 0.673 nan 8.360 nan 0.000 0.470 155 E N -1.093 119.126 120.200 0.032 0.000 2.456 155 E HA 0.480 4.830 4.350 -0.000 0.000 0.276 155 E C -1.347 175.309 176.600 0.093 0.000 0.981 155 E CA -1.150 55.248 56.400 -0.005 0.000 0.814 155 E CB 1.662 31.331 29.700 -0.052 0.000 1.382 155 E HN 0.051 nan 8.360 nan 0.000 0.459 156 Y N -1.772 118.526 120.300 -0.003 0.000 2.519 156 Y HA 0.764 5.314 4.550 0.000 0.000 0.336 156 Y C -1.266 174.621 175.900 -0.022 0.000 1.089 156 Y CA -1.521 56.571 58.100 -0.013 0.000 1.025 156 Y CB 0.891 39.349 38.460 -0.004 0.000 1.318 156 Y HN 0.614 nan 8.280 nan 0.000 0.452 157 A N 4.630 127.546 122.820 0.160 0.000 2.331 157 A HA 0.745 5.065 4.320 -0.000 0.000 0.283 157 A C -0.810 176.849 177.584 0.125 0.000 1.142 157 A CA -0.592 51.489 52.037 0.073 0.000 0.812 157 A CB 0.356 19.365 19.000 0.015 0.000 1.074 157 A HN 0.973 nan 8.150 nan 0.000 0.497 158 I N 1.482 122.096 120.570 0.074 0.000 2.722 158 I HA 0.303 4.473 4.170 -0.000 0.000 0.292 158 I C -1.234 174.875 176.117 -0.013 0.000 1.267 158 I CA -0.613 60.722 61.300 0.059 0.000 1.036 158 I CB 1.794 39.907 38.000 0.188 0.000 1.281 158 I HN 0.584 nan 8.210 nan 0.000 0.423 159 C N 8.950 128.211 119.300 -0.065 0.000 2.158 159 C HA 0.257 4.717 4.460 -0.000 0.000 0.350 159 C C -1.125 173.832 174.990 -0.055 0.000 1.064 159 C CA -0.983 57.988 59.018 -0.078 0.000 1.507 159 C CB -0.521 27.133 27.740 -0.143 0.000 1.934 159 C HN 0.599 nan 8.230 nan 0.000 0.479 160 P HA -0.145 nan 4.420 nan 0.000 0.215 160 P C 0.621 177.909 177.300 -0.021 0.000 1.157 160 P CA 1.652 64.745 63.100 -0.012 0.000 0.874 160 P CB 0.132 31.833 31.700 0.000 0.000 0.790 161 D N -1.004 119.383 120.400 -0.022 0.000 2.312 161 D HA -0.019 4.621 4.640 -0.000 0.000 0.211 161 D C 0.827 177.111 176.300 -0.027 0.000 0.964 161 D CA 0.155 54.147 54.000 -0.014 0.000 0.877 161 D CB -0.503 40.298 40.800 0.002 0.000 0.924 161 D HN 0.150 nan 8.370 nan 0.000 0.515 162 L N 1.455 122.635 121.223 -0.073 0.000 2.462 162 L HA 0.129 4.469 4.340 -0.000 0.000 0.272 162 L C -0.257 176.542 176.870 -0.118 0.000 1.166 162 L CA -0.078 54.678 54.840 -0.140 0.000 0.880 162 L CB 0.174 42.074 42.059 -0.264 0.000 1.142 162 L HN -0.045 nan 8.230 nan 0.000 0.473 163 K N 3.981 124.337 120.400 -0.073 0.000 2.668 163 K HA 0.438 4.758 4.320 -0.000 0.000 0.246 163 K C -1.469 175.153 176.600 0.036 0.000 0.976 163 K CA -0.751 55.518 56.287 -0.030 0.000 0.902 163 K CB 1.547 34.045 32.500 -0.003 0.000 1.172 163 K HN 0.215 nan 8.250 nan 0.000 0.452 164 V N 2.587 122.513 119.914 0.020 0.000 2.686 164 V HA 0.079 4.199 4.120 -0.000 0.000 0.295 164 V C -0.011 176.127 176.094 0.074 0.000 1.055 164 V CA -0.101 62.261 62.300 0.104 0.000 1.050 164 V CB 1.201 33.069 31.823 0.075 0.000 0.984 164 V HN 0.870 nan 8.190 nan 0.000 0.482 165 D N 3.745 124.195 120.400 0.084 0.000 2.428 165 D HA 0.164 4.804 4.640 -0.000 0.000 0.221 165 D C 0.588 176.907 176.300 0.031 0.000 1.123 165 D CA -0.391 53.635 54.000 0.043 0.000 0.869 165 D CB 1.524 42.346 40.800 0.036 0.000 1.032 165 D HN 0.316 nan 8.370 nan 0.000 0.506 166 L N 3.688 124.921 121.223 0.016 0.000 2.275 166 L HA 0.069 4.409 4.340 -0.000 0.000 0.215 166 L C 2.334 179.205 176.870 0.002 0.000 1.119 166 L CA 1.378 56.222 54.840 0.007 0.000 0.790 166 L CB -0.212 41.843 42.059 -0.007 0.000 0.919 166 L HN 0.593 nan 8.230 nan 0.000 0.443 167 G N -1.972 106.828 108.800 0.000 0.000 2.494 167 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.216 167 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.216 167 G C 0.561 175.459 174.900 -0.003 0.000 1.140 167 G CA -0.040 45.057 45.100 -0.004 0.000 0.801 167 G HN 0.098 nan 8.290 nan 0.000 0.536 168 V N 2.337 122.251 119.914 0.001 0.000 2.405 168 V HA 0.208 4.328 4.120 -0.000 0.000 0.264 168 V C 0.284 176.375 176.094 -0.005 0.000 1.048 168 V CA -0.890 61.408 62.300 -0.002 0.000 0.966 168 V CB 0.845 32.669 31.823 0.000 0.000 1.015 168 V HN 0.102 nan 8.190 nan 0.000 0.477 169 L N 5.611 126.829 121.223 -0.009 0.000 2.529 169 L HA 0.480 4.820 4.340 -0.000 0.000 0.287 169 L C 0.969 177.830 176.870 -0.016 0.000 1.241 169 L CA 2.102 56.935 54.840 -0.011 0.000 0.857 169 L CB -0.070 41.982 42.059 -0.012 0.000 1.113 169 L HN 0.978 nan 8.230 nan 0.000 0.504 170 G N 2.425 111.214 108.800 -0.018 0.000 2.610 170 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.304 170 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.304 170 G C -0.606 174.273 174.900 -0.035 0.000 1.309 170 G CA -0.242 44.842 45.100 -0.027 0.000 0.906 170 G HN 0.763 nan 8.290 nan 0.000 0.521 171 K N 0.321 120.691 120.400 -0.050 0.000 2.205 171 K HA 0.538 4.858 4.320 -0.000 0.000 0.279 171 K C -0.164 176.374 176.600 -0.104 0.000 1.027 171 K CA -0.165 56.079 56.287 -0.072 0.000 0.932 171 K CB 0.458 32.914 32.500 -0.073 0.000 1.032 171 K HN 0.530 nan 8.250 nan 0.000 0.466 172 Q N 3.337 123.058 119.800 -0.131 0.000 2.290 172 Q HA 0.206 4.546 4.340 -0.000 0.000 0.269 172 Q C -1.246 174.502 176.000 -0.421 0.000 1.016 172 Q CA -0.648 55.005 55.803 -0.250 0.000 0.754 172 Q CB 2.497 31.160 28.738 -0.125 0.000 1.247 172 Q HN 0.530 nan 8.270 nan 0.000 0.451 173 Q N 2.114 121.574 119.800 -0.566 0.000 2.306 173 Q HA 0.639 4.979 4.340 -0.000 0.000 0.265 173 Q C -1.053 174.487 176.000 -0.767 0.000 1.022 173 Q CA -0.505 55.014 55.803 -0.474 0.000 0.853 173 Q CB 1.873 30.471 28.738 -0.234 0.000 1.327 173 Q HN 0.446 nan 8.270 nan 0.000 0.449 174 F N 0.010 119.983 119.950 0.038 0.000 2.578 174 F HA 0.340 4.867 4.527 -0.000 0.000 0.311 174 F C -0.283 175.572 175.800 0.091 0.000 1.094 174 F CA -1.063 56.991 58.000 0.089 0.000 0.923 174 F CB 1.917 41.024 39.000 0.179 0.000 1.230 174 F HN 0.285 nan 8.300 nan 0.000 0.450 175 D N 3.704 124.234 120.400 0.217 0.000 2.280 175 D HA 0.418 5.058 4.640 -0.000 0.000 0.236 175 D C -0.640 175.745 176.300 0.141 0.000 1.082 175 D CA -0.196 53.885 54.000 0.136 0.000 0.834 175 D CB 2.206 43.040 40.800 0.056 0.000 1.100 175 D HN 0.317 nan 8.370 nan 0.000 0.486 176 L N 1.545 122.840 121.223 0.120 0.000 2.307 176 L HA 0.234 4.574 4.340 -0.000 0.000 0.282 176 L C 0.937 177.841 176.870 0.057 0.000 1.051 176 L CA -0.683 54.204 54.840 0.078 0.000 0.804 176 L CB 1.265 43.359 42.059 0.059 0.000 1.197 176 L HN 0.275 nan 8.230 nan 0.000 0.431 177 E N 4.134 124.359 120.200 0.041 0.000 2.606 177 E HA -0.122 4.228 4.350 -0.000 0.000 0.248 177 E C -0.098 176.524 176.600 0.038 0.000 1.005 177 E CA 0.235 56.656 56.400 0.035 0.000 0.946 177 E CB 0.098 29.812 29.700 0.024 0.000 0.928 177 E HN 0.571 nan 8.360 nan 0.000 0.494 178 N N 3.047 121.775 118.700 0.047 0.000 2.725 178 N HA -0.162 4.578 4.740 -0.000 0.000 0.249 178 N C -1.354 174.202 175.510 0.078 0.000 1.103 178 N CA 0.982 54.068 53.050 0.058 0.000 0.707 178 N CB -0.400 38.112 38.487 0.042 0.000 1.043 178 N HN 0.396 nan 8.380 nan 0.000 0.553 179 K N 0.101 120.555 120.400 0.089 0.000 2.413 179 K HA 0.258 4.578 4.320 -0.000 0.000 0.257 179 K C 0.846 177.538 176.600 0.154 0.000 0.946 179 K CA -0.653 55.705 56.287 0.117 0.000 0.823 179 K CB 0.709 33.263 32.500 0.090 0.000 1.109 179 K HN -0.045 nan 8.250 nan 0.000 0.427 180 F N 2.268 122.237 119.950 0.032 0.000 2.095 180 F HA -0.149 4.377 4.527 -0.000 0.000 0.298 180 F C 0.634 176.457 175.800 0.038 0.000 1.104 180 F CA 1.590 59.609 58.000 0.031 0.000 1.232 180 F CB 0.441 39.456 39.000 0.024 0.000 0.987 180 F HN 0.263 nan 8.300 nan 0.000 0.475 181 K N 0.813 121.286 120.400 0.121 0.000 2.098 181 K HA 0.292 4.612 4.320 -0.000 0.000 0.258 181 K C -2.324 174.312 176.600 0.060 0.000 0.973 181 K CA -1.995 54.314 56.287 0.038 0.000 0.898 181 K CB 0.993 33.571 32.500 0.129 0.000 1.057 181 K HN -0.040 nan 8.250 nan 0.000 0.447 182 P HA 0.211 nan 4.420 nan 0.000 0.283 182 P C -1.304 176.115 177.300 0.197 0.000 1.271 182 P CA -0.570 62.599 63.100 0.115 0.000 0.841 182 P CB 0.680 32.406 31.700 0.042 0.000 1.122 183 F N 0.954 120.973 119.950 0.115 0.000 2.410 183 F HA 0.430 4.957 4.527 -0.000 0.000 0.349 183 F C -0.548 175.375 175.800 0.206 0.000 1.117 183 F CA 0.057 58.143 58.000 0.143 0.000 1.104 183 F CB 0.816 39.901 39.000 0.141 0.000 1.122 183 F HN 0.107 nan 8.300 nan 0.000 0.483 184 T N 6.052 120.310 114.554 -0.492 0.000 2.823 184 T HA 0.573 4.923 4.350 -0.000 0.000 0.279 184 T C -0.883 173.466 174.700 -0.586 0.000 0.998 184 T CA -0.576 61.265 62.100 -0.431 0.000 0.994 184 T CB 1.541 70.290 68.868 -0.197 0.000 0.960 184 T HN 0.382 nan 8.240 nan 0.000 0.448 185 V N 3.508 123.227 119.914 -0.325 0.000 2.409 185 V HA 0.350 4.470 4.120 -0.000 0.000 0.291 185 V C -0.054 175.987 176.094 -0.089 0.000 1.020 185 V CA -0.769 61.417 62.300 -0.189 0.000 0.848 185 V CB 1.606 33.414 31.823 -0.025 0.000 0.990 185 V HN 0.860 nan 8.190 nan 0.000 0.430 186 E N 5.099 125.259 120.200 -0.067 0.000 2.063 186 E HA 0.377 4.727 4.350 -0.000 0.000 0.265 186 E C -0.802 175.787 176.600 -0.018 0.000 0.919 186 E CA -0.649 55.726 56.400 -0.041 0.000 0.756 186 E CB 1.408 31.087 29.700 -0.035 0.000 1.120 186 E HN 0.429 nan 8.360 nan 0.000 0.414 187 I N 3.440 124.003 120.570 -0.011 0.000 2.471 187 I HA 0.107 4.277 4.170 -0.000 0.000 0.286 187 I C 0.424 176.538 176.117 -0.004 0.000 1.079 187 I CA -0.052 61.247 61.300 -0.002 0.000 1.398 187 I CB 0.632 38.633 38.000 0.001 0.000 1.403 187 I HN 0.232 nan 8.210 nan 0.000 0.530 188 V N 5.792 125.706 119.914 0.001 0.000 2.769 188 V HA 0.201 4.321 4.120 -0.000 0.000 0.312 188 V C -0.104 175.990 176.094 0.001 0.000 1.058 188 V CA -0.853 61.449 62.300 0.003 0.000 0.952 188 V CB 2.457 34.286 31.823 0.011 0.000 1.019 188 V HN 0.793 nan 8.190 nan 0.000 0.445 189 D N 2.005 122.404 120.400 -0.002 0.000 2.417 189 D HA 0.082 4.722 4.640 -0.000 0.000 0.250 189 D C 1.203 177.493 176.300 -0.016 0.000 1.166 189 D CA 0.509 54.499 54.000 -0.016 0.000 0.881 189 D CB 1.268 42.058 40.800 -0.017 0.000 1.164 189 D HN 0.492 nan 8.370 nan 0.000 0.467 190 S N 2.131 117.803 115.700 -0.047 0.000 2.380 190 S HA -0.174 4.296 4.470 -0.000 0.000 0.229 190 S C 1.772 176.304 174.600 -0.113 0.000 1.043 190 S CA 1.008 59.172 58.200 -0.060 0.000 1.038 190 S CB -0.023 63.102 63.200 -0.124 0.000 0.872 190 S HN 0.506 nan 8.310 nan 0.000 0.456 191 V N 1.115 120.893 119.914 -0.227 0.000 2.825 191 V HA 0.031 4.151 4.120 -0.000 0.000 0.246 191 V C 2.427 178.572 176.094 0.085 0.000 1.068 191 V CA 0.639 62.826 62.300 -0.189 0.000 1.088 191 V CB -0.406 31.233 31.823 -0.306 0.000 0.733 191 V HN 0.349 nan 8.190 nan 0.000 0.468 192 E N 1.586 121.815 120.200 0.047 0.000 2.048 192 E HA -0.316 4.034 4.350 -0.000 0.000 0.202 192 E C 2.252 178.910 176.600 0.097 0.000 1.021 192 E CA 2.191 58.631 56.400 0.067 0.000 0.825 192 E CB -0.236 29.484 29.700 0.033 0.000 0.756 192 E HN 0.491 nan 8.360 nan 0.000 0.454 193 A N 0.065 122.952 122.820 0.111 0.000 1.908 193 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 193 A C 2.225 179.899 177.584 0.150 0.000 1.181 193 A CA 1.702 53.805 52.037 0.110 0.000 0.627 193 A CB -1.041 18.022 19.000 0.105 0.000 0.818 193 A HN 0.566 nan 8.150 nan 0.000 0.445 194 Y N 0.323 120.691 120.300 0.113 0.000 2.200 194 Y HA -0.054 4.495 4.550 -0.000 0.000 0.290 194 Y C 2.621 178.616 175.900 0.157 0.000 1.137 194 Y CA 1.456 59.647 58.100 0.152 0.000 1.163 194 Y CB -0.312 38.298 38.460 0.250 0.000 0.988 194 Y HN 0.315 nan 8.280 nan 0.000 0.518 195 A N -0.575 122.316 122.820 0.118 0.000 1.898 195 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 195 A C 2.181 179.747 177.584 -0.030 0.000 1.181 195 A CA 2.130 54.203 52.037 0.060 0.000 0.620 195 A CB -1.346 17.753 19.000 0.166 0.000 0.819 195 A HN 0.496 nan 8.150 nan 0.000 0.442 196 T N -0.170 114.374 114.554 -0.016 0.000 2.759 196 T HA -0.202 4.148 4.350 -0.000 0.000 0.269 196 T C 1.897 176.527 174.700 -0.116 0.000 1.042 196 T CA 1.740 63.804 62.100 -0.059 0.000 1.140 196 T CB -0.303 68.555 68.868 -0.018 0.000 0.864 196 T HN 0.560 nan 8.240 nan 0.000 0.455 197 M N 0.453 119.988 119.600 -0.109 0.000 2.099 197 M HA 0.008 4.488 4.480 -0.000 0.000 0.262 197 M C 1.992 178.167 176.300 -0.210 0.000 1.067 197 M CA 1.524 56.747 55.300 -0.129 0.000 1.124 197 M CB -0.258 32.289 32.600 -0.088 0.000 1.353 197 M HN 0.192 nan 8.290 nan 0.000 0.410 198 L N -0.205 120.870 121.223 -0.246 0.000 2.127 198 L HA -0.229 4.111 4.340 -0.000 0.000 0.211 198 L C 2.643 179.274 176.870 -0.397 0.000 1.089 198 L CA 1.293 56.030 54.840 -0.172 0.000 0.757 198 L CB -0.718 41.328 42.059 -0.021 0.000 0.899 198 L HN 0.398 nan 8.230 nan 0.000 0.434 199 R N 0.046 120.157 120.500 -0.649 0.000 2.091 199 R HA -0.157 4.183 4.340 -0.000 0.000 0.238 199 R C 2.054 178.062 176.300 -0.487 0.000 1.136 199 R CA 1.662 57.220 56.100 -0.904 0.000 0.959 199 R CB -0.171 29.814 30.300 -0.525 0.000 0.856 199 R HN 0.526 nan 8.270 nan 0.000 0.437 200 N N 0.242 118.762 118.700 -0.300 0.000 2.250 200 N HA -0.082 4.658 4.740 -0.000 0.000 0.181 200 N C 1.918 177.314 175.510 -0.190 0.000 1.017 200 N CA 0.959 53.898 53.050 -0.186 0.000 0.866 200 N CB -0.007 38.409 38.487 -0.118 0.000 0.985 200 N HN 0.239 nan 8.380 nan 0.000 0.429 201 I N 0.099 120.499 120.570 -0.283 0.000 2.179 201 I HA -0.163 4.007 4.170 -0.000 0.000 0.242 201 I C 0.317 176.118 176.117 -0.526 0.000 1.088 201 I CA 1.135 62.154 61.300 -0.468 0.000 1.357 201 I CB -0.077 37.457 38.000 -0.777 0.000 1.051 201 I HN -0.104 nan 8.210 nan 0.000 0.409 202 F N -0.302 119.552 119.950 -0.160 0.000 2.509 202 F HA 0.267 4.794 4.527 -0.000 0.000 0.334 202 F C 0.455 176.244 175.800 -0.018 0.000 1.060 202 F CA -1.009 56.957 58.000 -0.057 0.000 0.997 202 F CB 0.393 39.420 39.000 0.046 0.000 1.271 202 F HN -0.214 nan 8.300 nan 0.000 0.488 203 D N 1.098 121.668 120.400 0.284 0.000 2.453 203 D HA 0.091 4.731 4.640 -0.000 0.000 0.223 203 D C 0.643 177.136 176.300 0.321 0.000 1.183 203 D CA 0.045 54.164 54.000 0.200 0.000 0.933 203 D CB -0.068 40.813 40.800 0.134 0.000 1.038 203 D HN 0.232 nan 8.370 nan 0.000 0.513 204 F N 2.311 122.283 119.950 0.038 0.000 2.451 204 F HA -0.088 4.439 4.527 -0.000 0.000 0.299 204 F C 1.855 177.653 175.800 -0.004 0.000 1.101 204 F CA 0.342 58.346 58.000 0.007 0.000 1.436 204 F CB -0.424 38.581 39.000 0.008 0.000 1.074 204 F HN 0.371 nan 8.300 nan 0.000 0.553 205 N N 0.322 119.127 118.700 0.175 0.000 2.109 205 N HA -0.076 4.664 4.740 -0.000 0.000 0.188 205 N C 2.200 177.739 175.510 0.048 0.000 1.034 205 N CA 1.424 54.526 53.050 0.087 0.000 0.846 205 N CB -0.842 37.685 38.487 0.067 0.000 1.010 205 N HN 0.177 nan 8.380 nan 0.000 0.425 206 A N 1.484 124.336 122.820 0.053 0.000 1.940 206 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 206 A C 2.306 179.884 177.584 -0.010 0.000 1.176 206 A CA 1.064 53.115 52.037 0.023 0.000 0.631 206 A CB -0.761 18.259 19.000 0.034 0.000 0.814 206 A HN 0.228 nan 8.150 nan 0.000 0.446 207 L N -1.154 120.055 121.223 -0.022 0.000 2.109 207 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 207 L C 2.580 179.383 176.870 -0.111 0.000 1.086 207 L CA 1.207 55.987 54.840 -0.100 0.000 0.760 207 L CB -0.523 41.427 42.059 -0.183 0.000 0.910 207 L HN 0.342 nan 8.230 nan 0.000 0.437 208 K N 0.301 120.649 120.400 -0.086 0.000 2.063 208 K HA -0.230 4.090 4.320 -0.000 0.000 0.208 208 K C 2.015 178.585 176.600 -0.049 0.000 1.048 208 K CA 1.521 57.764 56.287 -0.074 0.000 0.928 208 K CB 0.066 32.545 32.500 -0.036 0.000 0.713 208 K HN 0.154 nan 8.250 nan 0.000 0.442 209 E N 1.128 121.308 120.200 -0.033 0.000 2.017 209 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 209 E C 1.863 178.442 176.600 -0.034 0.000 0.997 209 E CA 0.758 57.144 56.400 -0.024 0.000 0.804 209 E CB -0.317 29.374 29.700 -0.014 0.000 0.757 209 E HN 0.106 nan 8.360 nan 0.000 0.448 210 L N 0.358 121.553 121.223 -0.046 0.000 2.013 210 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 210 L C 2.001 178.835 176.870 -0.061 0.000 1.073 210 L CA 1.836 56.642 54.840 -0.057 0.000 0.753 210 L CB -0.550 41.462 42.059 -0.079 0.000 0.890 210 L HN 0.275 nan 8.230 nan 0.000 0.432 211 L N -0.817 120.362 121.223 -0.074 0.000 2.249 211 L HA -0.051 4.289 4.340 -0.000 0.000 0.207 211 L C 2.221 179.066 176.870 -0.042 0.000 1.090 211 L CA 1.054 55.855 54.840 -0.065 0.000 0.802 211 L CB -0.193 41.810 42.059 -0.092 0.000 0.947 211 L HN 0.347 nan 8.230 nan 0.000 0.453 212 S N -1.384 114.293 115.700 -0.039 0.000 2.540 212 S HA 0.218 4.688 4.470 -0.000 0.000 0.222 212 S C 1.094 175.684 174.600 -0.017 0.000 1.008 212 S CA -0.004 58.180 58.200 -0.026 0.000 0.939 212 S CB 0.109 63.292 63.200 -0.028 0.000 0.865 212 S HN 0.223 nan 8.310 nan 0.000 0.499 213 G N 3.065 111.855 108.800 -0.018 0.000 2.590 213 G HA2 0.338 4.298 3.960 -0.000 0.000 0.276 213 G HA3 0.338 4.298 3.960 -0.000 0.000 0.276 213 G C -0.945 173.950 174.900 -0.008 0.000 1.337 213 G CA -0.642 44.451 45.100 -0.012 0.000 1.030 213 G HN 0.244 nan 8.290 nan 0.000 0.534 214 P HA -0.067 nan 4.420 nan 0.000 0.217 214 P C 0.579 177.876 177.300 -0.005 0.000 1.151 214 P CA 1.058 64.155 63.100 -0.005 0.000 0.828 214 P CB 0.017 31.715 31.700 -0.004 0.000 0.788 215 N N 0.619 119.315 118.700 -0.006 0.000 2.451 215 N HA 0.037 4.777 4.740 -0.000 0.000 0.264 215 N C 0.335 175.840 175.510 -0.008 0.000 1.167 215 N CA -0.507 52.539 53.050 -0.007 0.000 0.898 215 N CB -0.922 37.561 38.487 -0.006 0.000 1.176 215 N HN 0.251 nan 8.380 nan 0.000 0.507 216 R N -0.626 119.869 120.500 -0.008 0.000 2.623 216 R HA 0.170 4.510 4.340 -0.000 0.000 0.271 216 R C -0.222 176.075 176.300 -0.004 0.000 1.043 216 R CA -0.751 55.343 56.100 -0.010 0.000 1.083 216 R CB 0.373 30.668 30.300 -0.008 0.000 0.974 216 R HN 0.090 nan 8.270 nan 0.000 0.436 217 L N 2.801 124.017 121.223 -0.011 0.000 2.477 217 L HA 0.082 4.422 4.340 -0.000 0.000 0.272 217 L C -0.392 176.495 176.870 0.027 0.000 1.157 217 L CA 0.631 55.470 54.840 -0.001 0.000 0.889 217 L CB 0.450 42.490 42.059 -0.033 0.000 1.158 217 L HN 0.597 nan 8.230 nan 0.000 0.473 218 K N 7.616 128.054 120.400 0.063 0.000 2.267 218 K HA 0.418 4.738 4.320 -0.000 0.000 0.282 218 K C -0.515 176.198 176.600 0.189 0.000 1.078 218 K CA -0.225 56.138 56.287 0.127 0.000 0.903 218 K CB 0.609 33.184 32.500 0.124 0.000 1.111 218 K HN 0.637 nan 8.250 nan 0.000 0.475 219 I N -0.741 119.912 120.570 0.139 0.000 2.693 219 I HA 0.634 4.804 4.170 -0.000 0.000 0.303 219 I C -0.695 175.389 176.117 -0.054 0.000 1.025 219 I CA -1.158 60.212 61.300 0.117 0.000 1.086 219 I CB 1.861 39.948 38.000 0.145 0.000 1.268 219 I HN 0.309 nan 8.210 nan 0.000 0.440 220 R N 5.870 126.287 120.500 -0.139 0.000 2.473 220 R HA 0.560 4.900 4.340 -0.000 0.000 0.303 220 R C -1.864 174.358 176.300 -0.129 0.000 1.002 220 R CA -0.665 55.278 56.100 -0.261 0.000 0.884 220 R CB 0.903 30.867 30.300 -0.560 0.000 1.173 220 R HN 0.691 nan 8.270 nan 0.000 0.464 221 I N 3.713 124.248 120.570 -0.058 0.000 2.354 221 I HA 0.279 4.449 4.170 -0.000 0.000 0.286 221 I C -0.371 175.737 176.117 -0.015 0.000 1.007 221 I CA -0.711 60.583 61.300 -0.010 0.000 1.167 221 I CB 1.341 39.413 38.000 0.120 0.000 1.320 221 I HN 0.569 nan 8.210 nan 0.000 0.458 222 D N 5.335 125.684 120.400 -0.086 0.000 2.274 222 D HA 0.467 5.107 4.640 -0.000 0.000 0.239 222 D C 0.445 176.747 176.300 0.004 0.000 1.104 222 D CA -0.221 53.737 54.000 -0.070 0.000 0.840 222 D CB 2.097 42.822 40.800 -0.125 0.000 1.100 222 D HN 0.615 nan 8.370 nan 0.000 0.477 223 A N 4.048 126.916 122.820 0.080 0.000 2.387 223 A HA 0.163 4.483 4.320 -0.000 0.000 0.234 223 A C 1.211 178.857 177.584 0.104 0.000 1.253 223 A CA -0.138 52.027 52.037 0.213 0.000 0.894 223 A CB -0.516 18.614 19.000 0.217 0.000 0.963 223 A HN 0.795 nan 8.150 nan 0.000 0.508 224 M N -0.867 118.704 119.600 -0.049 0.000 2.333 224 M HA -0.310 4.170 4.480 -0.000 0.000 0.199 224 M C 0.231 176.525 176.300 -0.009 0.000 0.376 224 M CA 1.256 56.490 55.300 -0.110 0.000 0.440 224 M CB -2.328 30.273 32.600 0.002 0.000 1.506 224 M HN 0.799 nan 8.290 nan 0.000 0.889 225 H N -3.819 115.374 119.070 0.205 0.000 2.921 225 H HA -0.085 4.471 4.556 0.000 0.000 0.281 225 H C 0.978 176.476 175.328 0.283 0.000 1.165 225 H CA 0.735 56.909 56.048 0.209 0.000 1.151 225 H CB -1.764 28.122 29.762 0.206 0.000 1.311 225 H HN 0.804 nan 8.280 nan 0.000 0.361 226 G N -0.891 108.134 108.800 0.375 0.000 2.753 226 G HA2 0.378 4.338 3.960 -0.000 0.000 0.285 226 G HA3 0.378 4.338 3.960 -0.000 0.000 0.285 226 G C 0.877 175.932 174.900 0.259 0.000 1.344 226 G CA -0.174 45.193 45.100 0.443 0.000 1.050 226 G HN 0.149 nan 8.290 nan 0.000 0.532 227 V N -0.456 119.593 119.914 0.225 0.000 2.546 227 V HA -0.149 3.971 4.120 -0.000 0.000 0.254 227 V C 2.738 178.925 176.094 0.154 0.000 1.076 227 V CA 1.736 64.126 62.300 0.150 0.000 1.087 227 V CB -0.241 31.634 31.823 0.086 0.000 0.674 227 V HN 0.346 nan 8.190 nan 0.000 0.470 228 V N 0.495 120.450 119.914 0.069 0.000 3.305 228 V HA -0.012 4.108 4.120 -0.000 0.000 0.269 228 V C 2.411 178.615 176.094 0.184 0.000 1.157 228 V CA 1.193 63.504 62.300 0.017 0.000 1.157 228 V CB -0.824 30.837 31.823 -0.270 0.000 0.772 228 V HN 0.644 nan 8.190 nan 0.000 0.498 229 G N 1.409 110.319 108.800 0.182 0.000 2.545 229 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 229 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 229 G C -0.160 174.815 174.900 0.124 0.000 1.218 229 G CA 1.195 46.385 45.100 0.150 0.000 0.787 229 G HN 0.497 nan 8.290 nan 0.000 0.571 230 P HA -0.133 nan 4.420 nan 0.000 0.216 230 P C 1.156 178.381 177.300 -0.126 0.000 1.150 230 P CA 1.091 64.154 63.100 -0.061 0.000 0.843 230 P CB -0.150 31.447 31.700 -0.171 0.000 0.787 231 Y N -1.363 118.942 120.300 0.008 0.000 2.242 231 Y HA -0.123 4.427 4.550 -0.000 0.000 0.291 231 Y C 2.368 178.294 175.900 0.044 0.000 1.137 231 Y CA 0.791 58.913 58.100 0.036 0.000 1.181 231 Y CB -1.427 37.024 38.460 -0.015 0.000 0.989 231 Y HN -0.225 nan 8.280 nan 0.000 0.527 232 V N -0.419 119.603 119.914 0.179 0.000 2.379 232 V HA -0.227 3.893 4.120 -0.000 0.000 0.245 232 V C 2.249 178.389 176.094 0.077 0.000 1.044 232 V CA 1.658 64.036 62.300 0.129 0.000 1.036 232 V CB -0.442 31.474 31.823 0.156 0.000 0.664 232 V HN 0.175 nan 8.190 nan 0.000 0.453 233 K N 0.667 121.101 120.400 0.057 0.000 1.973 233 K HA -0.145 4.175 4.320 -0.000 0.000 0.212 233 K C 2.181 178.787 176.600 0.010 0.000 1.047 233 K CA 1.721 58.024 56.287 0.027 0.000 0.937 233 K CB -0.346 32.164 32.500 0.016 0.000 0.721 233 K HN 0.317 nan 8.250 nan 0.000 0.440 234 K N -0.165 120.233 120.400 -0.003 0.000 2.057 234 K HA -0.045 4.275 4.320 -0.000 0.000 0.207 234 K C 2.139 178.749 176.600 0.016 0.000 1.049 234 K CA 1.579 57.863 56.287 -0.005 0.000 0.931 234 K CB -0.121 32.357 32.500 -0.036 0.000 0.714 234 K HN 0.127 nan 8.250 nan 0.000 0.440 235 I N 0.577 121.173 120.570 0.043 0.000 2.296 235 I HA -0.201 3.969 4.170 -0.000 0.000 0.242 235 I C 2.137 178.203 176.117 -0.084 0.000 1.087 235 I CA 0.972 62.284 61.300 0.019 0.000 1.393 235 I CB -0.138 37.923 38.000 0.101 0.000 1.093 235 I HN 0.077 nan 8.210 nan 0.000 0.421 236 L N -0.316 120.878 121.223 -0.049 0.000 2.127 236 L HA -0.110 4.230 4.340 -0.000 0.000 0.203 236 L C 2.507 179.340 176.870 -0.063 0.000 1.080 236 L CA 0.887 55.679 54.840 -0.081 0.000 0.768 236 L CB -0.405 41.639 42.059 -0.025 0.000 0.924 236 L HN 0.381 nan 8.230 nan 0.000 0.444 237 C N -0.412 118.872 119.300 -0.027 0.000 2.602 237 C HA -0.016 4.444 4.460 -0.000 0.000 0.282 237 C C 2.545 177.521 174.990 -0.023 0.000 1.313 237 C CA 0.019 59.026 59.018 -0.019 0.000 1.699 237 C CB -0.226 27.514 27.740 0.001 0.000 2.124 237 C HN 0.445 nan 8.230 nan 0.000 0.509 238 E N 1.085 121.275 120.200 -0.017 0.000 1.994 238 E HA -0.221 4.129 4.350 -0.000 0.000 0.197 238 E C 2.044 178.631 176.600 -0.022 0.000 0.982 238 E CA 1.066 57.458 56.400 -0.013 0.000 0.855 238 E CB -0.383 29.314 29.700 -0.004 0.000 0.806 238 E HN 0.550 nan 8.360 nan 0.000 0.495 239 E N 0.622 120.811 120.200 -0.019 0.000 2.086 239 E HA -0.225 4.125 4.350 -0.000 0.000 0.200 239 E C 1.912 178.460 176.600 -0.087 0.000 1.012 239 E CA 1.214 57.600 56.400 -0.023 0.000 0.812 239 E CB -0.060 29.649 29.700 0.016 0.000 0.743 239 E HN 0.187 nan 8.360 nan 0.000 0.453 240 L N -1.023 120.101 121.223 -0.164 0.000 2.591 240 L HA 0.190 4.530 4.340 -0.000 0.000 0.228 240 L C 1.497 178.296 176.870 -0.118 0.000 1.133 240 L CA 0.376 55.096 54.840 -0.200 0.000 0.880 240 L CB 0.214 42.073 42.059 -0.333 0.000 1.033 240 L HN 0.492 nan 8.230 nan 0.000 0.450 241 G N 0.310 109.064 108.800 -0.076 0.000 2.159 241 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.256 241 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.256 241 G C 0.445 175.322 174.900 -0.039 0.000 0.977 241 G CA 0.101 45.173 45.100 -0.048 0.000 0.652 241 G HN 0.501 nan 8.290 nan 0.000 0.531 242 A N 1.122 123.915 122.820 -0.046 0.000 2.425 242 A HA 0.643 4.963 4.320 -0.000 0.000 0.249 242 A C -1.031 176.547 177.584 -0.010 0.000 1.084 242 A CA -0.542 51.478 52.037 -0.027 0.000 0.781 242 A CB 0.249 19.231 19.000 -0.029 0.000 1.019 242 A HN 0.266 nan 8.150 nan 0.000 0.490 243 P HA 0.056 nan 4.420 nan 0.000 0.266 243 P C 0.799 178.107 177.300 0.013 0.000 1.195 243 P CA 0.724 63.830 63.100 0.010 0.000 0.768 243 P CB 0.671 32.383 31.700 0.020 0.000 0.838 244 A N 3.996 126.824 122.820 0.013 0.000 2.032 244 A HA -0.242 4.078 4.320 -0.000 0.000 0.221 244 A C 1.739 179.335 177.584 0.020 0.000 1.165 244 A CA 1.909 53.956 52.037 0.016 0.000 0.645 244 A CB -1.204 17.805 19.000 0.016 0.000 0.807 244 A HN 0.710 nan 8.150 nan 0.000 0.453 245 N N -0.109 118.606 118.700 0.024 0.000 2.512 245 N HA -0.037 4.703 4.740 -0.000 0.000 0.183 245 N C 1.158 176.678 175.510 0.016 0.000 1.073 245 N CA 1.364 54.430 53.050 0.027 0.000 0.911 245 N CB -0.860 37.650 38.487 0.038 0.000 0.964 245 N HN 0.261 nan 8.380 nan 0.000 0.447 246 S N -0.344 115.364 115.700 0.013 0.000 2.474 246 S HA 0.156 4.626 4.470 -0.000 0.000 0.235 246 S C 0.806 175.400 174.600 -0.010 0.000 0.997 246 S CA 0.633 58.829 58.200 -0.007 0.000 0.949 246 S CB -0.159 63.046 63.200 0.008 0.000 0.766 246 S HN 0.696 nan 8.310 nan 0.000 0.517 247 A N 1.418 124.245 122.820 0.010 0.000 2.285 247 A HA 0.652 4.972 4.320 -0.000 0.000 0.310 247 A C -0.476 177.122 177.584 0.023 0.000 1.266 247 A CA -0.423 51.630 52.037 0.027 0.000 0.832 247 A CB 0.881 19.910 19.000 0.049 0.000 1.163 247 A HN 0.108 nan 8.150 nan 0.000 0.499 248 V N 3.307 123.226 119.914 0.008 0.000 2.532 248 V HA 0.291 4.411 4.120 -0.000 0.000 0.295 248 V C 0.367 176.458 176.094 -0.005 0.000 1.041 248 V CA -0.535 61.765 62.300 0.000 0.000 0.926 248 V CB 1.244 33.049 31.823 -0.030 0.000 0.992 248 V HN 1.008 nan 8.190 nan 0.000 0.457 249 N N 2.074 120.777 118.700 0.004 0.000 2.721 249 N HA -0.194 4.546 4.740 -0.000 0.000 0.249 249 N C 0.431 175.962 175.510 0.035 0.000 1.072 249 N CA 0.931 53.962 53.050 -0.032 0.000 0.710 249 N CB -1.304 36.950 38.487 -0.389 0.000 0.993 249 N HN 0.717 nan 8.380 nan 0.000 0.547 250 C N 0.707 120.057 119.300 0.082 0.000 2.319 250 C HA 0.287 4.747 4.460 -0.000 0.000 0.350 250 C C 0.903 175.956 174.990 0.106 0.000 1.326 250 C CA -0.283 58.795 59.018 0.099 0.000 1.737 250 C CB -0.935 26.856 27.740 0.086 0.000 1.988 250 C HN 0.155 nan 8.230 nan 0.000 0.582 251 V N 1.926 121.920 119.914 0.133 0.000 2.409 251 V HA 0.284 4.404 4.120 -0.000 0.000 0.290 251 V C -2.419 173.747 176.094 0.119 0.000 1.017 251 V CA -1.542 60.822 62.300 0.106 0.000 0.841 251 V CB 1.739 33.614 31.823 0.088 0.000 1.003 251 V HN 0.138 nan 8.190 nan 0.000 0.426 252 P HA 0.088 nan 4.420 nan 0.000 0.258 252 P C -0.733 176.558 177.300 -0.014 0.000 1.172 252 P CA 0.615 63.746 63.100 0.052 0.000 0.762 252 P CB 0.290 32.008 31.700 0.030 0.000 0.764 253 L N 3.403 124.583 121.223 -0.071 0.000 2.329 253 L HA 0.264 4.604 4.340 -0.000 0.000 0.279 253 L C 1.644 178.329 176.870 -0.309 0.000 1.014 253 L CA -0.617 54.142 54.840 -0.135 0.000 0.814 253 L CB 1.544 43.537 42.059 -0.110 0.000 1.257 253 L HN 0.393 nan 8.230 nan 0.000 0.424 254 E N 1.345 121.428 120.200 -0.195 0.000 2.171 254 E HA -0.225 4.125 4.350 -0.000 0.000 0.197 254 E C 0.361 176.825 176.600 -0.227 0.000 0.997 254 E CA 1.652 57.949 56.400 -0.172 0.000 0.810 254 E CB 0.127 29.860 29.700 0.055 0.000 0.738 254 E HN 0.704 nan 8.360 nan 0.000 0.467 255 D N -1.005 119.287 120.400 -0.179 0.000 2.402 255 D HA -0.044 4.596 4.640 -0.000 0.000 0.216 255 D C -0.022 176.342 176.300 0.108 0.000 1.128 255 D CA -0.509 53.473 54.000 -0.030 0.000 0.833 255 D CB -0.543 40.233 40.800 -0.041 0.000 0.971 255 D HN 0.068 nan 8.370 nan 0.000 0.503 256 F N 1.069 121.060 119.950 0.068 0.000 3.100 256 F HA -0.152 4.375 4.527 0.000 0.000 0.283 256 F C 1.463 177.337 175.800 0.123 0.000 0.900 256 F CA 0.686 58.771 58.000 0.140 0.000 1.010 256 F CB -1.916 37.171 39.000 0.144 0.000 1.029 256 F HN 0.326 nan 8.300 nan 0.000 0.637 257 G N -0.597 108.197 108.800 -0.009 0.000 2.314 257 G HA2 0.183 4.143 3.960 -0.000 0.000 0.292 257 G HA3 0.183 4.143 3.960 -0.000 0.000 0.292 257 G C 1.112 175.928 174.900 -0.139 0.000 1.059 257 G CA 0.784 45.779 45.100 -0.175 0.000 0.982 257 G HN 2.182 nan 8.290 nan 0.000 0.505 258 G N -1.818 106.891 108.800 -0.152 0.000 2.225 258 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.267 258 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.267 258 G C 0.193 174.777 174.900 -0.527 0.000 1.024 258 G CA 1.471 46.389 45.100 -0.304 0.000 0.784 258 G HN 1.564 nan 8.290 nan 0.000 0.507 259 H N -2.005 117.191 119.070 0.211 0.000 2.908 259 H HA 0.595 5.151 4.556 0.000 0.000 0.350 259 H C -0.201 175.275 175.328 0.247 0.000 1.217 259 H CA -0.903 55.284 56.048 0.233 0.000 1.168 259 H CB 1.073 30.974 29.762 0.231 0.000 1.891 259 H HN 0.308 nan 8.280 nan 0.000 0.566 260 H N 2.395 121.529 119.070 0.108 0.000 2.652 260 H HA 0.108 4.664 4.556 -0.000 0.000 0.298 260 H C -2.042 173.152 175.328 -0.224 0.000 1.076 260 H CA -1.975 53.961 56.048 -0.187 0.000 1.360 260 H CB 1.065 30.468 29.762 -0.599 0.000 1.421 260 H HN 0.327 nan 8.280 nan 0.000 0.464 261 P HA 0.010 nan 4.420 nan 0.000 0.235 261 P C -0.697 176.500 177.300 -0.172 0.000 1.765 261 P CA 0.105 63.079 63.100 -0.211 0.000 1.034 261 P CB -0.097 31.325 31.700 -0.463 0.000 1.984 262 D N 2.872 123.166 120.400 -0.176 0.000 2.505 262 D HA 0.231 4.871 4.640 -0.000 0.000 0.250 262 D C -2.470 173.718 176.300 -0.187 0.000 1.164 262 D CA -2.600 51.278 54.000 -0.203 0.000 0.870 262 D CB 2.089 42.702 40.800 -0.313 0.000 1.160 262 D HN 0.113 nan 8.370 nan 0.000 0.549 263 P HA 0.155 nan 4.420 nan 0.000 0.271 263 P C -1.132 175.747 177.300 -0.702 0.000 1.380 263 P CA -0.274 62.605 63.100 -0.368 0.000 0.992 263 P CB -0.068 31.444 31.700 -0.314 0.000 1.230 264 N N 1.437 119.903 118.700 -0.392 0.000 2.825 264 N HA 0.202 4.942 4.740 -0.000 0.000 0.253 264 N C 0.791 176.210 175.510 -0.151 0.000 1.426 264 N CA -1.026 51.807 53.050 -0.361 0.000 0.851 264 N CB 0.324 38.674 38.487 -0.228 0.000 1.470 264 N HN -0.113 nan 8.380 nan 0.000 0.517 265 L N -0.880 120.259 121.223 -0.140 0.000 2.349 265 L HA -0.147 4.193 4.340 -0.000 0.000 0.220 265 L C 1.762 178.537 176.870 -0.158 0.000 1.130 265 L CA 1.913 56.652 54.840 -0.168 0.000 0.791 265 L CB -0.943 40.953 42.059 -0.271 0.000 0.918 265 L HN 0.928 nan 8.230 nan 0.000 0.444 266 T N -5.330 109.116 114.554 -0.180 0.000 3.046 266 T HA -0.056 4.294 4.350 -0.000 0.000 0.242 266 T C 1.742 176.309 174.700 -0.222 0.000 1.018 266 T CA 0.116 62.075 62.100 -0.236 0.000 1.131 266 T CB -0.393 68.266 68.868 -0.348 0.000 0.904 266 T HN 0.080 nan 8.240 nan 0.000 0.459 267 Y N 2.399 122.627 120.300 -0.121 0.000 2.314 267 Y HA 0.475 5.025 4.550 -0.000 0.000 0.293 267 Y C 2.373 178.205 175.900 -0.114 0.000 1.129 267 Y CA 0.275 58.314 58.100 -0.102 0.000 1.201 267 Y CB -0.285 38.129 38.460 -0.076 0.000 0.999 267 Y HN 0.405 nan 8.280 nan 0.000 0.541 268 A N -0.484 122.347 122.820 0.018 0.000 3.181 268 A HA 0.615 4.935 4.320 -0.000 0.000 0.293 268 A C 1.742 179.280 177.584 -0.077 0.000 1.346 268 A CA 0.422 52.426 52.037 -0.054 0.000 1.018 268 A CB -0.922 18.020 19.000 -0.097 0.000 1.093 268 A HN 0.280 nan 8.150 nan 0.000 0.629 269 A N 0.013 122.787 122.820 -0.077 0.000 1.930 269 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 269 A C 1.702 179.244 177.584 -0.070 0.000 1.175 269 A CA 1.633 53.620 52.037 -0.082 0.000 0.627 269 A CB -0.279 18.667 19.000 -0.090 0.000 0.815 269 A HN 0.560 nan 8.150 nan 0.000 0.443 270 D N -0.172 120.185 120.400 -0.072 0.000 2.144 270 D HA -0.137 4.503 4.640 -0.000 0.000 0.199 270 D C 1.913 178.180 176.300 -0.054 0.000 0.984 270 D CA 0.970 54.936 54.000 -0.057 0.000 0.834 270 D CB -0.151 40.614 40.800 -0.058 0.000 0.955 270 D HN 0.423 nan 8.370 nan 0.000 0.465 271 L N 0.967 122.145 121.223 -0.075 0.000 1.994 271 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 271 L C 2.515 179.346 176.870 -0.065 0.000 1.071 271 L CA 1.031 55.818 54.840 -0.088 0.000 0.745 271 L CB -0.220 41.766 42.059 -0.121 0.000 0.892 271 L HN -0.083 nan 8.230 nan 0.000 0.431 272 V N -0.133 119.744 119.914 -0.060 0.000 2.332 272 V HA -0.323 3.797 4.120 -0.000 0.000 0.248 272 V C 2.411 178.496 176.094 -0.015 0.000 1.055 272 V CA 2.111 64.388 62.300 -0.038 0.000 1.038 272 V CB -0.621 31.170 31.823 -0.052 0.000 0.651 272 V HN 0.527 nan 8.190 nan 0.000 0.450 273 E N 0.028 120.217 120.200 -0.019 0.000 2.077 273 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 273 E C 2.248 178.860 176.600 0.020 0.000 0.989 273 E CA 1.811 58.209 56.400 -0.003 0.000 0.800 273 E CB -0.096 29.597 29.700 -0.011 0.000 0.746 273 E HN 0.641 nan 8.360 nan 0.000 0.452 274 T N 0.899 115.464 114.554 0.018 0.000 2.777 274 T HA -0.124 4.226 4.350 -0.000 0.000 0.266 274 T C 1.716 176.476 174.700 0.101 0.000 1.040 274 T CA 1.175 63.309 62.100 0.057 0.000 1.141 274 T CB -0.037 68.849 68.868 0.029 0.000 0.868 274 T HN 0.176 nan 8.240 nan 0.000 0.444 275 M N 0.770 120.408 119.600 0.063 0.000 2.296 275 M HA 0.072 4.552 4.480 -0.000 0.000 0.265 275 M C 2.099 178.450 176.300 0.086 0.000 1.064 275 M CA 1.133 56.479 55.300 0.077 0.000 1.109 275 M CB -0.891 31.721 32.600 0.021 0.000 1.396 275 M HN 0.051 nan 8.290 nan 0.000 0.430 276 K N 1.172 121.620 120.400 0.081 0.000 2.074 276 K HA -0.122 4.198 4.320 -0.000 0.000 0.209 276 K C 2.094 178.774 176.600 0.134 0.000 1.048 276 K CA 1.875 58.223 56.287 0.102 0.000 0.926 276 K CB -0.604 31.932 32.500 0.060 0.000 0.713 276 K HN 0.478 nan 8.250 nan 0.000 0.444 277 S N -1.382 114.373 115.700 0.092 0.000 2.402 277 S HA -0.125 4.345 4.470 -0.000 0.000 0.233 277 S C 1.731 176.387 174.600 0.093 0.000 1.030 277 S CA 1.417 59.662 58.200 0.074 0.000 1.003 277 S CB -0.593 62.627 63.200 0.035 0.000 0.813 277 S HN 0.498 nan 8.310 nan 0.000 0.477 278 G N 0.530 109.369 108.800 0.065 0.000 2.194 278 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.236 278 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.236 278 G C 0.696 175.494 174.900 -0.169 0.000 0.987 278 G CA 0.458 45.509 45.100 -0.082 0.000 0.635 278 G HN 0.434 nan 8.290 nan 0.000 0.520 279 E N 0.577 120.665 120.200 -0.187 0.000 2.110 279 E HA -0.066 4.284 4.350 -0.000 0.000 0.193 279 E C 0.613 176.924 176.600 -0.481 0.000 0.988 279 E CA 1.115 57.301 56.400 -0.357 0.000 0.804 279 E CB -0.030 29.382 29.700 -0.481 0.000 0.745 279 E HN 0.788 nan 8.360 nan 0.000 0.458 280 H N -0.848 118.195 119.070 -0.045 0.000 2.499 280 H HA 0.189 4.745 4.556 -0.000 0.000 0.340 280 H C -0.050 175.259 175.328 -0.032 0.000 1.148 280 H CA -0.359 55.674 56.048 -0.026 0.000 1.215 280 H CB 1.415 31.171 29.762 -0.009 0.000 1.529 280 H HN -0.082 nan 8.280 nan 0.000 0.510 281 D N 0.686 121.164 120.400 0.130 0.000 2.346 281 D HA 0.074 4.714 4.640 -0.000 0.000 0.206 281 D C -0.592 175.825 176.300 0.194 0.000 1.001 281 D CA 0.433 54.492 54.000 0.099 0.000 0.871 281 D CB 0.688 41.539 40.800 0.086 0.000 0.943 281 D HN 0.248 nan 8.370 nan 0.000 0.518 282 F N -0.089 119.862 119.950 0.002 0.000 2.628 282 F HA 0.585 5.111 4.527 -0.000 0.000 0.309 282 F C -0.880 174.876 175.800 -0.072 0.000 1.108 282 F CA -0.696 57.276 58.000 -0.046 0.000 0.971 282 F CB 1.795 40.768 39.000 -0.046 0.000 1.279 282 F HN -0.128 nan 8.300 nan 0.000 0.441 283 G N 2.136 110.512 108.800 -0.707 0.000 2.660 283 G HA2 0.877 4.837 3.960 -0.000 0.000 0.294 283 G HA3 0.877 4.837 3.960 -0.000 0.000 0.294 283 G C -2.227 172.211 174.900 -0.769 0.000 1.369 283 G CA -0.438 44.349 45.100 -0.521 0.000 0.912 283 G HN 1.226 nan 8.290 nan 0.000 0.479 284 A N -0.794 121.750 122.820 -0.460 0.000 2.612 284 A HA 1.021 5.341 4.320 -0.000 0.000 0.293 284 A C -0.693 176.582 177.584 -0.514 0.000 1.075 284 A CA 0.035 51.776 52.037 -0.494 0.000 0.680 284 A CB 1.386 20.136 19.000 -0.417 0.000 1.279 284 A HN 2.405 nan 8.150 nan 0.000 0.411 285 A N 0.214 122.655 122.820 -0.632 0.000 2.498 285 A HA 0.955 5.275 4.320 -0.000 0.000 0.298 285 A C -1.267 175.869 177.584 -0.747 0.000 1.075 285 A CA -0.474 51.226 52.037 -0.562 0.000 0.714 285 A CB 0.878 19.705 19.000 -0.289 0.000 1.299 285 A HN 1.089 nan 8.150 nan 0.000 0.407 286 F N 0.331 120.268 119.950 -0.021 0.000 2.640 286 F HA 0.509 5.036 4.527 0.000 0.000 0.324 286 F C 0.216 175.994 175.800 -0.036 0.000 1.077 286 F CA -0.637 57.358 58.000 -0.009 0.000 0.965 286 F CB 1.712 40.720 39.000 0.012 0.000 1.351 286 F HN 0.721 nan 8.300 nan 0.000 0.487 287 D N 0.057 120.560 120.400 0.172 0.000 2.506 287 D HA 0.260 4.900 4.640 -0.000 0.000 0.272 287 D C 1.305 177.620 176.300 0.024 0.000 1.214 287 D CA -0.302 53.721 54.000 0.037 0.000 1.067 287 D CB 0.211 41.016 40.800 0.009 0.000 1.117 287 D HN 0.594 nan 8.370 nan 0.000 0.578 288 G N -0.055 108.680 108.800 -0.108 0.000 2.529 288 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.219 288 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.219 288 G C 0.846 175.774 174.900 0.046 0.000 1.177 288 G CA 1.556 46.586 45.100 -0.117 0.000 0.773 288 G HN 0.750 nan 8.290 nan 0.000 0.573 289 D N -0.608 119.784 120.400 -0.014 0.000 2.340 289 D HA 0.234 4.874 4.640 -0.000 0.000 0.217 289 D C 1.690 177.927 176.300 -0.105 0.000 1.081 289 D CA 0.672 54.647 54.000 -0.040 0.000 0.842 289 D CB -0.444 40.321 40.800 -0.059 0.000 0.934 289 D HN 0.614 nan 8.370 nan 0.000 0.511 290 G N 2.221 110.974 108.800 -0.078 0.000 2.184 290 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.264 290 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.264 290 G C 0.680 175.523 174.900 -0.095 0.000 0.975 290 G CA 0.627 45.634 45.100 -0.154 0.000 0.642 290 G HN 0.542 nan 8.290 nan 0.000 0.536 291 D N -0.244 120.128 120.400 -0.047 0.000 2.340 291 D HA 0.101 4.741 4.640 -0.000 0.000 0.220 291 D C 1.034 177.390 176.300 0.095 0.000 1.039 291 D CA 0.302 54.292 54.000 -0.016 0.000 0.866 291 D CB 0.122 40.874 40.800 -0.080 0.000 0.913 291 D HN 0.549 nan 8.370 nan 0.000 0.523 292 R N 0.263 120.855 120.500 0.154 0.000 2.807 292 R HA 0.460 4.800 4.340 -0.000 0.000 0.276 292 R C -0.514 175.965 176.300 0.299 0.000 0.979 292 R CA -0.806 55.425 56.100 0.219 0.000 0.928 292 R CB 1.750 32.156 30.300 0.176 0.000 1.191 292 R HN 0.146 nan 8.270 nan 0.000 0.471 293 N N 2.406 121.287 118.700 0.301 0.000 2.396 293 N HA 0.284 5.024 4.740 -0.000 0.000 0.275 293 N C -1.352 174.278 175.510 0.200 0.000 1.218 293 N CA -0.796 52.383 53.050 0.216 0.000 0.812 293 N CB 2.512 41.172 38.487 0.288 0.000 1.592 293 N HN 0.459 nan 8.380 nan 0.000 0.480 294 M N 1.987 121.594 119.600 0.012 0.000 2.243 294 M HA 0.444 4.924 4.480 -0.000 0.000 0.324 294 M C -1.615 174.597 176.300 -0.146 0.000 1.031 294 M CA -0.782 54.584 55.300 0.111 0.000 0.949 294 M CB 1.053 33.685 32.600 0.053 0.000 1.615 294 M HN 0.465 nan 8.290 nan 0.000 0.430 295 I N 6.598 127.028 120.570 -0.232 0.000 2.339 295 I HA 0.404 4.574 4.170 -0.000 0.000 0.290 295 I C -0.717 175.081 176.117 -0.532 0.000 0.994 295 I CA -0.476 60.511 61.300 -0.521 0.000 1.191 295 I CB 1.086 38.691 38.000 -0.659 0.000 1.343 295 I HN 0.763 nan 8.210 nan 0.000 0.458 296 L N 5.204 126.065 121.223 -0.604 0.000 2.346 296 L HA 0.736 5.076 4.340 -0.000 0.000 0.274 296 L C 0.680 177.304 176.870 -0.410 0.000 1.007 296 L CA -0.493 54.115 54.840 -0.386 0.000 0.818 296 L CB 2.187 44.098 42.059 -0.246 0.000 1.284 296 L HN 0.652 nan 8.230 nan 0.000 0.424 297 G N 0.779 109.510 108.800 -0.115 0.000 2.613 297 G HA2 0.339 4.299 3.960 -0.000 0.000 0.303 297 G HA3 0.339 4.299 3.960 -0.000 0.000 0.303 297 G C -0.893 174.040 174.900 0.055 0.000 1.312 297 G CA -0.666 44.453 45.100 0.033 0.000 1.036 297 G HN 0.529 nan 8.290 nan 0.000 0.513 298 K N -0.408 120.005 120.400 0.022 0.000 2.518 298 K HA -0.019 4.301 4.320 -0.000 0.000 0.276 298 K C 0.206 176.779 176.600 -0.045 0.000 0.974 298 K CA 0.156 56.385 56.287 -0.097 0.000 0.986 298 K CB 0.018 32.395 32.500 -0.205 0.000 0.901 298 K HN 0.699 nan 8.250 nan 0.000 0.497 299 H N 0.836 119.940 119.070 0.058 0.000 3.047 299 H HA -0.198 4.358 4.556 -0.000 0.000 0.263 299 H C 0.862 176.241 175.328 0.086 0.000 1.168 299 H CA 1.301 57.385 56.048 0.060 0.000 1.152 299 H CB -1.664 28.126 29.762 0.048 0.000 1.278 299 H HN 1.041 nan 8.280 nan 0.000 0.339 300 G N -0.343 108.556 108.800 0.164 0.000 2.175 300 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.244 300 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.244 300 G C 0.146 175.167 174.900 0.201 0.000 0.982 300 G CA 0.050 45.230 45.100 0.134 0.000 0.641 300 G HN 0.465 nan 8.290 nan 0.000 0.527 301 F N 2.286 122.280 119.950 0.075 0.000 2.474 301 F HA 0.431 4.958 4.527 -0.000 0.000 0.375 301 F C 0.652 176.516 175.800 0.106 0.000 1.090 301 F CA -1.341 56.718 58.000 0.097 0.000 1.044 301 F CB -0.421 38.617 39.000 0.065 0.000 1.018 301 F HN 0.193 nan 8.300 nan 0.000 0.560 302 F N 7.118 126.883 119.950 -0.309 0.000 2.502 302 F HA 0.357 4.884 4.527 -0.000 0.000 0.371 302 F C -0.707 174.778 175.800 -0.526 0.000 1.083 302 F CA -0.522 57.272 58.000 -0.343 0.000 1.174 302 F CB 0.254 39.154 39.000 -0.167 0.000 1.096 302 F HN 0.085 nan 8.300 nan 0.000 0.545 303 V N 7.722 127.167 119.914 -0.782 0.000 2.334 303 V HA 0.073 4.193 4.120 -0.000 0.000 0.267 303 V C 0.455 175.916 176.094 -1.056 0.000 1.040 303 V CA -0.980 60.847 62.300 -0.788 0.000 0.866 303 V CB 0.629 32.098 31.823 -0.591 0.000 1.019 303 V HN 0.786 nan 8.190 nan 0.000 0.468 304 N N 6.879 124.957 118.700 -1.037 0.000 2.359 304 N HA -0.006 4.734 4.740 -0.000 0.000 0.261 304 N C -1.594 173.583 175.510 -0.554 0.000 1.267 304 N CA -0.858 51.660 53.050 -0.887 0.000 0.864 304 N CB 1.644 39.936 38.487 -0.325 0.000 1.063 304 N HN 0.288 nan 8.380 nan 0.000 0.474 305 P HA -0.117 nan 4.420 nan 0.000 0.217 305 P C 0.888 178.012 177.300 -0.292 0.000 1.148 305 P CA 1.263 64.121 63.100 -0.403 0.000 0.834 305 P CB 0.242 31.616 31.700 -0.543 0.000 0.783 306 S N -1.162 114.329 115.700 -0.348 0.000 2.414 306 S HA -0.095 4.375 4.470 -0.000 0.000 0.227 306 S C 1.488 175.958 174.600 -0.217 0.000 1.022 306 S CA 1.162 59.159 58.200 -0.338 0.000 0.958 306 S CB -0.750 62.119 63.200 -0.552 0.000 0.797 306 S HN 0.196 nan 8.310 nan 0.000 0.493 307 D N 1.038 121.338 120.400 -0.167 0.000 2.137 307 D HA 0.010 4.650 4.640 -0.000 0.000 0.202 307 D C 2.127 178.369 176.300 -0.096 0.000 0.970 307 D CA 0.761 54.717 54.000 -0.074 0.000 0.837 307 D CB -0.434 40.369 40.800 0.005 0.000 0.981 307 D HN 0.271 nan 8.370 nan 0.000 0.475 308 S N -0.175 115.492 115.700 -0.054 0.000 2.359 308 S HA -0.151 4.319 4.470 -0.000 0.000 0.224 308 S C 2.078 176.691 174.600 0.023 0.000 1.035 308 S CA 1.234 59.511 58.200 0.128 0.000 1.018 308 S CB -0.424 62.864 63.200 0.146 0.000 0.876 308 S HN 0.126 nan 8.310 nan 0.000 0.448 309 V N 1.527 121.404 119.914 -0.062 0.000 2.626 309 V HA 0.020 4.140 4.120 -0.000 0.000 0.252 309 V C 2.465 178.414 176.094 -0.242 0.000 1.067 309 V CA 1.887 64.116 62.300 -0.118 0.000 1.081 309 V CB -0.887 30.858 31.823 -0.129 0.000 0.686 309 V HN 0.597 nan 8.190 nan 0.000 0.468 310 A N -0.906 121.763 122.820 -0.251 0.000 2.014 310 A HA -0.035 4.285 4.320 -0.000 0.000 0.218 310 A C 2.226 179.567 177.584 -0.406 0.000 1.163 310 A CA 1.653 53.504 52.037 -0.309 0.000 0.652 310 A CB -0.336 18.567 19.000 -0.162 0.000 0.808 310 A HN 0.432 nan 8.150 nan 0.000 0.449 311 V N 0.212 119.838 119.914 -0.480 0.000 2.346 311 V HA -0.188 3.932 4.120 -0.000 0.000 0.244 311 V C 2.380 178.201 176.094 -0.454 0.000 1.037 311 V CA 1.668 63.635 62.300 -0.556 0.000 1.029 311 V CB -0.668 30.829 31.823 -0.543 0.000 0.663 311 V HN 0.550 nan 8.190 nan 0.000 0.454 312 I N 0.956 121.263 120.570 -0.439 0.000 2.099 312 I HA -0.275 3.895 4.170 -0.000 0.000 0.239 312 I C 2.780 178.705 176.117 -0.320 0.000 1.066 312 I CA 1.751 62.831 61.300 -0.367 0.000 1.324 312 I CB -0.782 37.088 38.000 -0.216 0.000 1.037 312 I HN 0.289 nan 8.210 nan 0.000 0.401 313 A N 0.834 123.421 122.820 -0.389 0.000 1.948 313 A HA -0.241 4.079 4.320 -0.000 0.000 0.220 313 A C 2.451 179.847 177.584 -0.313 0.000 1.177 313 A CA 2.161 53.889 52.037 -0.515 0.000 0.636 313 A CB -0.874 17.488 19.000 -1.064 0.000 0.815 313 A HN 0.506 nan 8.150 nan 0.000 0.449 314 A N -0.874 121.803 122.820 -0.238 0.000 2.119 314 A HA -0.037 4.283 4.320 -0.000 0.000 0.217 314 A C 1.382 178.970 177.584 0.007 0.000 1.153 314 A CA 1.175 53.190 52.037 -0.036 0.000 0.692 314 A CB -0.251 18.827 19.000 0.130 0.000 0.799 314 A HN 0.605 nan 8.150 nan 0.000 0.458 315 N N -1.023 117.616 118.700 -0.103 0.000 2.299 315 N HA 0.118 4.858 4.740 -0.000 0.000 0.246 315 N C 0.805 176.246 175.510 -0.114 0.000 1.254 315 N CA -0.064 52.939 53.050 -0.078 0.000 0.879 315 N CB 0.541 38.948 38.487 -0.133 0.000 1.214 315 N HN 0.381 nan 8.380 nan 0.000 0.510 316 I N 0.395 120.824 120.570 -0.235 0.000 2.194 316 I HA -0.212 3.958 4.170 -0.000 0.000 0.246 316 I C 1.191 177.138 176.117 -0.283 0.000 1.093 316 I CA 1.693 62.751 61.300 -0.403 0.000 1.355 316 I CB -0.098 37.481 38.000 -0.701 0.000 1.046 316 I HN 0.033 nan 8.210 nan 0.000 0.413 317 F N -0.112 119.892 119.950 0.090 0.000 2.805 317 F HA -0.031 4.496 4.527 -0.000 0.000 0.301 317 F C 2.161 178.027 175.800 0.110 0.000 1.196 317 F CA 0.465 58.540 58.000 0.124 0.000 1.439 317 F CB -0.443 38.605 39.000 0.081 0.000 1.117 317 F HN 0.204 nan 8.300 nan 0.000 0.581 318 S N -0.392 115.430 115.700 0.203 0.000 2.597 318 S HA 0.291 4.761 4.470 -0.000 0.000 0.224 318 S C 0.182 174.874 174.600 0.153 0.000 0.955 318 S CA -0.308 57.980 58.200 0.148 0.000 0.933 318 S CB -0.622 62.624 63.200 0.076 0.000 0.788 318 S HN 0.198 nan 8.310 nan 0.000 0.488 319 I N 1.789 122.490 120.570 0.219 0.000 2.406 319 I HA 0.351 4.521 4.170 -0.000 0.000 0.290 319 I C -1.930 174.283 176.117 0.160 0.000 0.999 319 I CA -2.809 58.613 61.300 0.203 0.000 1.124 319 I CB 2.222 40.387 38.000 0.276 0.000 1.289 319 I HN -0.091 nan 8.210 nan 0.000 0.441 320 P HA -0.274 nan 4.420 nan 0.000 0.217 320 P C 1.537 178.844 177.300 0.011 0.000 1.162 320 P CA 1.631 64.758 63.100 0.045 0.000 0.901 320 P CB 0.025 31.732 31.700 0.012 0.000 0.793 321 Y N -0.545 119.599 120.300 -0.260 0.000 2.069 321 Y HA -0.275 4.275 4.550 -0.000 0.000 0.278 321 Y C 2.171 177.897 175.900 -0.290 0.000 1.175 321 Y CA 1.719 59.593 58.100 -0.378 0.000 1.134 321 Y CB -1.302 36.748 38.460 -0.682 0.000 0.965 321 Y HN -0.132 nan 8.280 nan 0.000 0.498 322 F N 0.236 120.232 119.950 0.075 0.000 2.171 322 F HA -0.265 4.262 4.527 0.000 0.000 0.300 322 F C 2.447 178.347 175.800 0.166 0.000 1.090 322 F CA 1.472 59.489 58.000 0.029 0.000 1.293 322 F CB -0.428 38.578 39.000 0.011 0.000 1.013 322 F HN 0.147 nan 8.300 nan 0.000 0.486 323 Q N -0.166 119.851 119.800 0.362 0.000 2.167 323 Q HA -0.223 4.117 4.340 -0.000 0.000 0.202 323 Q C 1.957 178.020 176.000 0.105 0.000 0.970 323 Q CA 1.366 57.340 55.803 0.285 0.000 0.855 323 Q CB -0.235 28.609 28.738 0.176 0.000 0.911 323 Q HN 0.553 nan 8.270 nan 0.000 0.438 324 Q N -0.970 118.836 119.800 0.010 0.000 2.297 324 Q HA -0.003 4.337 4.340 -0.000 0.000 0.203 324 Q C 1.827 177.768 176.000 -0.098 0.000 0.931 324 Q CA 1.130 56.901 55.803 -0.053 0.000 0.885 324 Q CB 0.400 29.092 28.738 -0.077 0.000 0.991 324 Q HN 0.155 nan 8.270 nan 0.000 0.498 325 T N -0.728 113.707 114.554 -0.198 0.000 3.051 325 T HA 0.247 4.597 4.350 -0.000 0.000 0.255 325 T C 0.503 175.175 174.700 -0.047 0.000 1.085 325 T CA 0.809 62.775 62.100 -0.224 0.000 1.109 325 T CB -0.127 68.375 68.868 -0.609 0.000 0.921 325 T HN 0.536 nan 8.240 nan 0.000 0.488 326 G N 0.379 109.233 108.800 0.089 0.000 2.755 326 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.686 326 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.686 326 G C -0.641 174.374 174.900 0.191 0.000 1.427 326 G CA -0.496 44.717 45.100 0.188 0.000 0.873 326 G HN 0.420 nan 8.290 nan 0.000 0.580 327 V N 2.800 122.813 119.914 0.165 0.000 2.334 327 V HA 0.316 4.436 4.120 -0.000 0.000 0.267 327 V C 1.639 177.686 176.094 -0.077 0.000 1.040 327 V CA -0.156 62.128 62.300 -0.026 0.000 0.866 327 V CB 1.126 32.812 31.823 -0.228 0.000 1.019 327 V HN 0.791 nan 8.190 nan 0.000 0.468 328 R N 2.768 123.248 120.500 -0.034 0.000 2.148 328 R HA 0.263 4.603 4.340 -0.000 0.000 0.227 328 R C 0.949 177.220 176.300 -0.049 0.000 1.103 328 R CA 0.892 56.981 56.100 -0.019 0.000 0.983 328 R CB -0.052 30.268 30.300 0.033 0.000 0.874 328 R HN 0.939 nan 8.270 nan 0.000 0.451 329 G N -2.592 106.117 108.800 -0.152 0.000 2.328 329 G HA2 0.322 4.282 3.960 -0.000 0.000 0.299 329 G HA3 0.322 4.282 3.960 -0.000 0.000 0.299 329 G C -1.605 173.201 174.900 -0.157 0.000 1.435 329 G CA -1.017 43.991 45.100 -0.154 0.000 0.865 329 G HN -0.060 nan 8.290 nan 0.000 0.601 330 F N 0.156 120.161 119.950 0.092 0.000 2.556 330 F HA 0.945 5.472 4.527 -0.000 0.000 0.327 330 F C 0.686 176.567 175.800 0.135 0.000 1.059 330 F CA -0.510 57.513 58.000 0.039 0.000 0.953 330 F CB 2.343 41.315 39.000 -0.048 0.000 1.227 330 F HN 1.033 nan 8.300 nan 0.000 0.478 331 A N 2.002 124.991 122.820 0.281 0.000 2.604 331 A HA 0.914 5.234 4.320 -0.000 0.000 0.295 331 A C -1.343 176.323 177.584 0.137 0.000 1.067 331 A CA -0.964 51.230 52.037 0.262 0.000 0.683 331 A CB 2.183 21.402 19.000 0.366 0.000 1.281 331 A HN 0.905 nan 8.150 nan 0.000 0.407 332 R N -0.152 120.481 120.500 0.222 0.000 2.643 332 R HA 0.701 5.040 4.340 -0.000 0.000 0.269 332 R C -0.388 176.016 176.300 0.174 0.000 1.037 332 R CA -0.051 56.148 56.100 0.165 0.000 0.894 332 R CB 1.273 31.567 30.300 -0.009 0.000 1.238 332 R HN 1.093 nan 8.270 nan 0.000 0.459 333 S N 2.667 118.473 115.700 0.178 0.000 2.568 333 S HA -0.011 4.459 4.470 -0.000 0.000 0.282 333 S C 1.272 175.753 174.600 -0.198 0.000 1.338 333 S CA -0.713 57.451 58.200 -0.060 0.000 1.045 333 S CB 0.902 64.083 63.200 -0.030 0.000 0.873 333 S HN 0.828 nan 8.310 nan 0.000 0.516 334 M N 2.151 121.536 119.600 -0.358 0.000 2.144 334 M HA -0.056 4.424 4.480 -0.000 0.000 0.260 334 M C -1.071 174.997 176.300 -0.387 0.000 1.067 334 M CA 1.605 56.609 55.300 -0.493 0.000 1.095 334 M CB -2.099 29.922 32.600 -0.964 0.000 1.365 334 M HN 0.583 nan 8.290 nan 0.000 0.406 335 P HA 0.046 nan 4.420 nan 0.000 0.241 335 P C 0.037 177.149 177.300 -0.313 0.000 1.191 335 P CA 0.405 63.168 63.100 -0.561 0.000 0.771 335 P CB -0.444 30.518 31.700 -1.230 0.000 0.929 336 T N 1.155 115.545 114.554 -0.273 0.000 2.918 336 T HA 0.194 4.544 4.350 -0.000 0.000 0.302 336 T C 0.855 175.349 174.700 -0.344 0.000 1.045 336 T CA -0.076 61.818 62.100 -0.343 0.000 1.114 336 T CB 0.406 69.129 68.868 -0.242 0.000 0.965 336 T HN 0.151 nan 8.240 nan 0.000 0.540 337 S N 1.564 116.890 115.700 -0.623 0.000 2.580 337 S HA 0.197 4.667 4.470 -0.000 0.000 0.266 337 S C 1.617 176.148 174.600 -0.115 0.000 1.354 337 S CA -0.294 57.750 58.200 -0.261 0.000 1.008 337 S CB 0.418 63.450 63.200 -0.279 0.000 0.898 337 S HN 0.882 nan 8.310 nan 0.000 0.555 338 G N 0.104 108.905 108.800 0.002 0.000 2.990 338 G HA2 0.311 4.271 3.960 -0.000 0.000 0.206 338 G HA3 0.311 4.271 3.960 -0.000 0.000 0.206 338 G C 1.234 176.127 174.900 -0.012 0.000 1.169 338 G CA 0.284 45.379 45.100 -0.009 0.000 0.819 338 G HN 1.072 nan 8.290 nan 0.000 0.517 339 A N 0.689 123.503 122.820 -0.010 0.000 1.883 339 A HA -0.042 4.278 4.320 -0.000 0.000 0.217 339 A C 2.227 179.753 177.584 -0.096 0.000 1.186 339 A CA 1.485 53.530 52.037 0.013 0.000 0.624 339 A CB -0.348 18.673 19.000 0.036 0.000 0.822 339 A HN 0.447 nan 8.150 nan 0.000 0.444 340 L N 0.481 121.612 121.223 -0.153 0.000 2.131 340 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 340 L C 1.512 178.265 176.870 -0.196 0.000 1.092 340 L CA 2.531 57.228 54.840 -0.238 0.000 0.759 340 L CB -0.926 40.992 42.059 -0.237 0.000 0.903 340 L HN 0.454 nan 8.230 nan 0.000 0.435 341 D N -1.050 119.279 120.400 -0.120 0.000 2.149 341 D HA -0.170 4.470 4.640 -0.000 0.000 0.198 341 D C 2.119 178.373 176.300 -0.078 0.000 0.990 341 D CA 0.951 54.904 54.000 -0.078 0.000 0.839 341 D CB -0.098 40.663 40.800 -0.066 0.000 0.948 341 D HN 0.199 nan 8.370 nan 0.000 0.460 342 R N 0.479 120.917 120.500 -0.104 0.000 2.081 342 R HA -0.052 4.288 4.340 -0.000 0.000 0.235 342 R C 2.281 178.498 176.300 -0.139 0.000 1.131 342 R CA 0.551 56.610 56.100 -0.067 0.000 0.960 342 R CB -0.950 29.338 30.300 -0.021 0.000 0.856 342 R HN 0.244 nan 8.270 nan 0.000 0.436 343 V N 1.073 120.736 119.914 -0.418 0.000 2.302 343 V HA -0.116 4.004 4.120 -0.000 0.000 0.243 343 V C 2.573 178.628 176.094 -0.065 0.000 1.036 343 V CA 1.622 63.633 62.300 -0.482 0.000 1.020 343 V CB -0.949 30.493 31.823 -0.635 0.000 0.657 343 V HN 0.288 nan 8.190 nan 0.000 0.453 344 A N 0.681 123.498 122.820 -0.006 0.000 1.917 344 A HA -0.323 3.997 4.320 -0.000 0.000 0.219 344 A C 1.996 179.647 177.584 0.112 0.000 1.182 344 A CA 2.634 54.792 52.037 0.201 0.000 0.633 344 A CB -0.949 18.171 19.000 0.200 0.000 0.819 344 A HN 0.747 nan 8.150 nan 0.000 0.448 345 N N -0.229 118.506 118.700 0.059 0.000 2.216 345 N HA 0.047 4.787 4.740 -0.000 0.000 0.183 345 N C 1.992 177.553 175.510 0.085 0.000 1.017 345 N CA 0.833 53.913 53.050 0.051 0.000 0.861 345 N CB -0.236 38.268 38.487 0.030 0.000 0.986 345 N HN 0.496 nan 8.380 nan 0.000 0.428 346 A N 0.876 123.777 122.820 0.136 0.000 1.873 346 A HA -0.095 4.225 4.320 -0.000 0.000 0.215 346 A C 2.112 179.791 177.584 0.158 0.000 1.186 346 A CA 1.507 53.651 52.037 0.179 0.000 0.616 346 A CB -0.876 18.331 19.000 0.344 0.000 0.823 346 A HN 0.215 nan 8.150 nan 0.000 0.442 347 T N -0.085 114.574 114.554 0.177 0.000 3.160 347 T HA 0.081 4.431 4.350 -0.000 0.000 0.257 347 T C 0.354 175.120 174.700 0.110 0.000 1.147 347 T CA 0.618 62.820 62.100 0.170 0.000 1.064 347 T CB -0.335 68.672 68.868 0.231 0.000 0.949 347 T HN 0.589 nan 8.240 nan 0.000 0.526 348 K N 0.789 121.238 120.400 0.082 0.000 3.071 348 K HA -0.147 4.173 4.320 -0.000 0.000 0.262 348 K C -0.499 176.103 176.600 0.003 0.000 0.977 348 K CA 0.257 56.567 56.287 0.038 0.000 0.721 348 K CB -1.432 31.089 32.500 0.034 0.000 1.293 348 K HN 0.362 nan 8.250 nan 0.000 0.475 349 I N 0.596 121.160 120.570 -0.009 0.000 2.460 349 I HA 0.311 4.481 4.170 -0.000 0.000 0.298 349 I C 1.047 177.085 176.117 -0.132 0.000 0.989 349 I CA -0.740 60.483 61.300 -0.129 0.000 1.173 349 I CB 1.474 39.264 38.000 -0.350 0.000 1.338 349 I HN 0.217 nan 8.210 nan 0.000 0.456 350 A N 6.643 129.351 122.820 -0.187 0.000 2.498 350 A HA 0.314 4.634 4.320 -0.000 0.000 0.239 350 A C -0.408 176.994 177.584 -0.303 0.000 1.068 350 A CA 0.063 51.939 52.037 -0.268 0.000 0.766 350 A CB 0.308 19.098 19.000 -0.349 0.000 1.003 350 A HN 0.615 nan 8.150 nan 0.000 0.497 351 L N 2.560 123.571 121.223 -0.354 0.000 2.346 351 L HA 0.638 4.978 4.340 -0.000 0.000 0.276 351 L C -1.763 174.867 176.870 -0.400 0.000 1.006 351 L CA -0.398 54.326 54.840 -0.192 0.000 0.817 351 L CB 1.371 43.401 42.059 -0.049 0.000 1.272 351 L HN 0.723 nan 8.230 nan 0.000 0.421 352 Y N 2.486 122.856 120.300 0.116 0.000 2.331 352 Y HA 0.382 4.932 4.550 0.000 0.000 0.334 352 Y C 0.081 176.042 175.900 0.102 0.000 0.960 352 Y CA -0.662 57.517 58.100 0.131 0.000 1.130 352 Y CB 1.638 40.192 38.460 0.156 0.000 1.164 352 Y HN 0.550 nan 8.280 nan 0.000 0.458 353 E N 2.749 123.089 120.200 0.233 0.000 2.109 353 E HA 0.486 4.836 4.350 -0.000 0.000 0.278 353 E C -0.755 175.859 176.600 0.023 0.000 0.954 353 E CA -0.461 55.985 56.400 0.077 0.000 0.779 353 E CB 0.802 30.520 29.700 0.031 0.000 1.093 353 E HN 0.710 nan 8.360 nan 0.000 0.401 354 T N 1.486 115.894 114.554 -0.244 0.000 2.926 354 T HA 0.608 4.958 4.350 -0.000 0.000 0.289 354 T C -2.597 171.716 174.700 -0.645 0.000 1.054 354 T CA -2.349 59.291 62.100 -0.766 0.000 1.015 354 T CB 1.638 69.997 68.868 -0.849 0.000 1.167 354 T HN 0.167 nan 8.240 nan 0.000 0.526 355 P HA 0.228 nan 4.420 nan 0.000 0.275 355 P C 0.171 177.273 177.300 -0.330 0.000 1.270 355 P CA -0.323 62.489 63.100 -0.482 0.000 0.791 355 P CB 0.109 31.412 31.700 -0.663 0.000 1.089 356 T N -2.800 111.698 114.554 -0.095 0.000 2.904 356 T HA 0.511 4.861 4.350 -0.000 0.000 0.290 356 T C 0.346 175.101 174.700 0.092 0.000 1.018 356 T CA 0.049 62.136 62.100 -0.021 0.000 1.075 356 T CB -0.179 68.714 68.868 0.043 0.000 0.986 356 T HN 0.838 nan 8.240 nan 0.000 0.523 357 G N 1.736 110.572 108.800 0.059 0.000 3.450 357 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.668 357 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.668 357 G C 0.163 175.080 174.900 0.028 0.000 0.941 357 G CA 0.008 45.178 45.100 0.118 0.000 0.766 357 G HN 1.070 nan 8.290 nan 0.000 0.451 358 W N 1.638 122.960 121.300 0.038 0.000 2.022 358 W HA -0.434 4.226 4.660 -0.000 0.000 0.355 358 W C 2.548 179.018 176.519 -0.080 0.000 1.657 358 W CA 3.288 60.694 57.345 0.103 0.000 1.857 358 W CB -0.565 28.969 29.460 0.123 0.000 0.957 358 W HN 0.812 nan 8.180 nan 0.000 0.468 359 K N -1.477 118.858 120.400 -0.108 0.000 2.163 359 K HA -0.231 4.089 4.320 -0.000 0.000 0.210 359 K C 1.490 177.821 176.600 -0.448 0.000 1.048 359 K CA 2.448 58.556 56.287 -0.299 0.000 0.928 359 K CB -1.177 31.031 32.500 -0.488 0.000 0.716 359 K HN 0.269 nan 8.250 nan 0.000 0.459 360 F N -1.023 118.745 119.950 -0.303 0.000 2.259 360 F HA -0.001 4.526 4.527 0.000 0.000 0.298 360 F C 1.803 177.380 175.800 -0.371 0.000 1.088 360 F CA 0.589 58.390 58.000 -0.331 0.000 1.358 360 F CB -0.447 38.245 39.000 -0.514 0.000 1.040 360 F HN -0.114 nan 8.300 nan 0.000 0.505 361 F N 0.547 120.272 119.950 -0.375 0.000 2.113 361 F HA 0.037 4.563 4.527 -0.000 0.000 0.297 361 F C 2.639 178.015 175.800 -0.707 0.000 1.103 361 F CA 0.865 58.462 58.000 -0.672 0.000 1.248 361 F CB -1.562 36.681 39.000 -1.261 0.000 0.999 361 F HN -0.027 nan 8.300 nan 0.000 0.475 362 G N 0.195 108.612 108.800 -0.638 0.000 2.491 362 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.218 362 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.218 362 G C 1.680 176.546 174.900 -0.056 0.000 1.180 362 G CA 1.225 46.226 45.100 -0.165 0.000 0.774 362 G HN 0.250 nan 8.290 nan 0.000 0.562 363 N N 0.490 119.151 118.700 -0.065 0.000 2.091 363 N HA -0.087 4.653 4.740 -0.000 0.000 0.193 363 N C 2.236 177.722 175.510 -0.041 0.000 1.021 363 N CA 0.908 53.940 53.050 -0.029 0.000 0.862 363 N CB -0.461 38.024 38.487 -0.005 0.000 1.018 363 N HN 0.344 nan 8.380 nan 0.000 0.429 364 L N -0.095 121.083 121.223 -0.074 0.000 2.093 364 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 364 L C 2.204 179.029 176.870 -0.076 0.000 1.085 364 L CA 0.794 55.560 54.840 -0.124 0.000 0.755 364 L CB -0.242 41.692 42.059 -0.208 0.000 0.904 364 L HN 0.186 nan 8.230 nan 0.000 0.435 365 M N -0.764 118.810 119.600 -0.044 0.000 2.156 365 M HA -0.171 4.309 4.480 -0.000 0.000 0.264 365 M C 1.625 177.941 176.300 0.026 0.000 1.067 365 M CA 1.414 56.721 55.300 0.012 0.000 1.131 365 M CB -0.391 32.240 32.600 0.052 0.000 1.368 365 M HN 0.131 nan 8.290 nan 0.000 0.416 366 D N 0.731 121.145 120.400 0.024 0.000 2.219 366 D HA -0.043 4.597 4.640 -0.000 0.000 0.205 366 D C 1.522 177.829 176.300 0.011 0.000 0.970 366 D CA 1.094 55.109 54.000 0.025 0.000 0.851 366 D CB -0.017 40.798 40.800 0.026 0.000 0.943 366 D HN 0.323 nan 8.370 nan 0.000 0.488 367 A N -0.053 122.765 122.820 -0.003 0.000 2.302 367 A HA 0.176 4.496 4.320 -0.000 0.000 0.219 367 A C 0.780 178.363 177.584 -0.003 0.000 1.243 367 A CA 0.061 52.094 52.037 -0.008 0.000 0.856 367 A CB -0.023 18.962 19.000 -0.025 0.000 0.893 367 A HN -0.038 nan 8.150 nan 0.000 0.491 368 S N -0.220 115.485 115.700 0.007 0.000 3.631 368 S HA -0.129 4.341 4.470 -0.000 0.000 0.366 368 S C 0.874 175.485 174.600 0.020 0.000 0.993 368 S CA 1.297 59.508 58.200 0.019 0.000 1.167 368 S CB -0.773 62.440 63.200 0.020 0.000 0.909 368 S HN 0.728 nan 8.310 nan 0.000 0.478 369 K N -0.839 119.563 120.400 0.004 0.000 2.450 369 K HA 0.364 4.684 4.320 -0.000 0.000 0.206 369 K C -0.019 176.615 176.600 0.056 0.000 1.148 369 K CA -0.053 56.247 56.287 0.020 0.000 1.014 369 K CB 0.430 32.884 32.500 -0.077 0.000 0.966 369 K HN 0.419 nan 8.250 nan 0.000 0.566 370 L N 0.769 122.010 121.223 0.029 0.000 2.376 370 L HA 0.349 4.689 4.340 -0.000 0.000 0.275 370 L C 0.425 177.350 176.870 0.093 0.000 0.987 370 L CA 0.192 55.069 54.840 0.063 0.000 0.828 370 L CB 2.166 44.233 42.059 0.013 0.000 1.249 370 L HN -0.111 nan 8.230 nan 0.000 0.409 371 S N 3.940 119.709 115.700 0.116 0.000 2.506 371 S HA 0.347 4.817 4.470 -0.000 0.000 0.230 371 S C -0.165 174.582 174.600 0.244 0.000 1.066 371 S CA 0.121 58.453 58.200 0.219 0.000 0.940 371 S CB 0.251 63.568 63.200 0.195 0.000 0.818 371 S HN 0.461 nan 8.310 nan 0.000 0.518 372 L N 1.839 123.175 121.223 0.188 0.000 2.431 372 L HA 0.712 5.052 4.340 -0.000 0.000 0.266 372 L C -1.210 175.672 176.870 0.019 0.000 0.978 372 L CA -0.667 54.252 54.840 0.131 0.000 0.822 372 L CB 1.617 43.763 42.059 0.144 0.000 1.310 372 L HN 0.440 nan 8.230 nan 0.000 0.409 373 C N 1.397 120.607 119.300 -0.149 0.000 2.994 373 C HA 1.059 5.519 4.460 -0.000 0.000 0.305 373 C C -0.083 174.699 174.990 -0.347 0.000 1.251 373 C CA -0.052 58.735 59.018 -0.386 0.000 1.478 373 C CB 1.047 28.181 27.740 -1.010 0.000 1.922 373 C HN 1.234 nan 8.230 nan 0.000 0.472 374 G N 0.861 109.472 108.800 -0.316 0.000 2.696 374 G HA2 0.680 4.640 3.960 -0.000 0.000 0.295 374 G HA3 0.680 4.640 3.960 -0.000 0.000 0.295 374 G C -1.993 172.878 174.900 -0.048 0.000 1.398 374 G CA -0.365 44.643 45.100 -0.153 0.000 0.920 374 G HN 0.928 nan 8.290 nan 0.000 0.492 375 E N -0.397 119.807 120.200 0.006 0.000 2.256 375 E HA 0.267 4.617 4.350 -0.000 0.000 0.267 375 E C 0.308 176.872 176.600 -0.060 0.000 0.892 375 E CA -0.605 55.823 56.400 0.047 0.000 0.775 375 E CB 2.316 32.119 29.700 0.172 0.000 1.207 375 E HN 0.642 nan 8.360 nan 0.000 0.420 376 E N 0.135 120.270 120.200 -0.108 0.000 2.268 376 E HA -0.120 4.230 4.350 -0.000 0.000 0.195 376 E C 0.574 177.097 176.600 -0.128 0.000 0.995 376 E CA 0.767 57.057 56.400 -0.183 0.000 0.836 376 E CB -0.063 29.560 29.700 -0.128 0.000 0.763 376 E HN 0.205 nan 8.360 nan 0.000 0.491 377 S N 0.606 116.327 115.700 0.035 0.000 3.456 377 S HA 0.219 4.689 4.470 -0.000 0.000 0.229 377 S C -0.489 174.294 174.600 0.305 0.000 1.416 377 S CA -0.581 57.730 58.200 0.184 0.000 1.197 377 S CB -1.469 61.871 63.200 0.234 0.000 1.201 377 S HN 0.277 nan 8.310 nan 0.000 0.479 378 F N -0.439 119.564 119.950 0.089 0.000 3.039 378 F HA -0.147 4.380 4.527 0.000 0.000 0.287 378 F C 0.923 176.782 175.800 0.098 0.000 0.956 378 F CA 0.642 58.689 58.000 0.077 0.000 0.971 378 F CB -1.686 37.356 39.000 0.071 0.000 0.943 378 F HN 0.600 nan 8.300 nan 0.000 0.766 379 G N 0.374 109.281 108.800 0.177 0.000 2.609 379 G HA2 0.688 4.648 3.960 -0.000 0.000 0.308 379 G HA3 0.688 4.648 3.960 -0.000 0.000 0.308 379 G C -0.828 174.158 174.900 0.145 0.000 1.369 379 G CA -0.514 44.699 45.100 0.189 0.000 0.958 379 G HN 0.100 nan 8.290 nan 0.000 0.499 380 T N 0.253 114.920 114.554 0.187 0.000 2.893 380 T HA 0.865 5.215 4.350 -0.000 0.000 0.293 380 T C 0.097 174.901 174.700 0.173 0.000 1.027 380 T CA -0.366 61.844 62.100 0.184 0.000 0.988 380 T CB 2.219 71.270 68.868 0.306 0.000 1.043 380 T HN 1.089 nan 8.240 nan 0.000 0.461 381 G N 0.658 109.486 108.800 0.046 0.000 2.645 381 G HA2 0.755 4.715 3.960 -0.000 0.000 0.292 381 G HA3 0.755 4.715 3.960 -0.000 0.000 0.292 381 G C -1.201 173.535 174.900 -0.275 0.000 1.415 381 G CA -0.447 44.591 45.100 -0.104 0.000 0.785 381 G HN 1.092 nan 8.290 nan 0.000 0.483 382 S N -1.617 113.878 115.700 -0.341 0.000 2.656 382 S HA 0.501 4.970 4.470 -0.000 0.000 0.273 382 S C -0.119 174.468 174.600 -0.021 0.000 1.168 382 S CA 0.210 58.322 58.200 -0.147 0.000 0.817 382 S CB 1.872 64.951 63.200 -0.202 0.000 1.146 382 S HN 0.767 nan 8.310 nan 0.000 0.475 383 D N 0.371 120.853 120.400 0.137 0.000 2.371 383 D HA -0.115 4.525 4.640 -0.000 0.000 0.234 383 D C 1.463 177.802 176.300 0.065 0.000 1.049 383 D CA 0.705 54.782 54.000 0.127 0.000 0.907 383 D CB -0.941 39.972 40.800 0.188 0.000 0.891 383 D HN 0.803 nan 8.370 nan 0.000 0.531 384 H N 0.836 119.790 119.070 -0.194 0.000 2.456 384 H HA -0.029 4.527 4.556 -0.000 0.000 0.296 384 H C 1.149 176.391 175.328 -0.142 0.000 1.079 384 H CA 0.833 56.720 56.048 -0.268 0.000 1.322 384 H CB -0.305 29.127 29.762 -0.552 0.000 1.388 384 H HN 0.403 nan 8.280 nan 0.000 0.538 385 I N -3.061 117.179 120.570 -0.551 0.000 3.516 385 I HA 0.505 4.675 4.170 -0.000 0.000 0.307 385 I C 0.008 175.976 176.117 -0.248 0.000 1.157 385 I CA -1.454 59.605 61.300 -0.402 0.000 0.983 385 I CB 1.959 39.634 38.000 -0.542 0.000 1.351 385 I HN -0.295 nan 8.210 nan 0.000 0.484 386 R N 1.311 121.649 120.500 -0.270 0.000 2.748 386 R HA 0.504 4.844 4.340 -0.000 0.000 0.395 386 R C -0.911 174.834 176.300 -0.924 0.000 1.128 386 R CA -0.146 55.803 56.100 -0.252 0.000 1.042 386 R CB 0.042 30.324 30.300 -0.031 0.000 1.392 386 R HN 0.628 nan 8.270 nan 0.000 0.582 387 E N 0.255 119.778 120.200 -1.128 0.000 2.430 387 E HA 0.345 4.695 4.350 -0.000 0.000 0.279 387 E C -0.700 175.355 176.600 -0.908 0.000 1.003 387 E CA -0.758 54.931 56.400 -1.186 0.000 0.801 387 E CB 2.271 31.606 29.700 -0.610 0.000 1.313 387 E HN -0.103 nan 8.360 nan 0.000 0.459 388 K N 0.572 120.587 120.400 -0.642 0.000 2.126 388 K HA 0.337 4.657 4.320 -0.000 0.000 0.257 388 K C -0.589 175.948 176.600 -0.105 0.000 1.007 388 K CA -0.397 55.770 56.287 -0.200 0.000 0.928 388 K CB 0.512 33.012 32.500 -0.000 0.000 1.013 388 K HN 0.198 nan 8.250 nan 0.000 0.473 389 D N 0.189 120.623 120.400 0.058 0.000 2.542 389 D HA 0.220 4.860 4.640 -0.000 0.000 0.252 389 D C 0.610 177.098 176.300 0.314 0.000 1.222 389 D CA -0.358 53.748 54.000 0.176 0.000 0.895 389 D CB 1.615 42.600 40.800 0.309 0.000 1.207 389 D HN 0.599 nan 8.370 nan 0.000 0.558 390 G N 2.539 111.469 108.800 0.216 0.000 2.453 390 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.215 390 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.215 390 G C 1.317 176.479 174.900 0.437 0.000 1.201 390 G CA 0.398 45.721 45.100 0.372 0.000 0.784 390 G HN 0.461 nan 8.290 nan 0.000 0.545 391 L N -0.473 120.777 121.223 0.045 0.000 2.083 391 L HA 0.047 4.387 4.340 -0.000 0.000 0.209 391 L C 2.430 179.499 176.870 0.333 0.000 1.083 391 L CA 1.519 56.437 54.840 0.130 0.000 0.752 391 L CB -0.690 41.405 42.059 0.061 0.000 0.899 391 L HN 0.516 nan 8.230 nan 0.000 0.433 392 W N -0.085 121.372 121.300 0.261 0.000 2.338 392 W HA -0.255 4.405 4.660 -0.000 0.000 0.304 392 W C 2.328 179.032 176.519 0.307 0.000 1.212 392 W CA 2.341 59.864 57.345 0.295 0.000 1.264 392 W CB -0.216 29.412 29.460 0.279 0.000 1.142 392 W HN 0.218 nan 8.180 nan 0.000 0.512 393 A N -0.223 122.977 122.820 0.634 0.000 1.902 393 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 393 A C 1.998 179.783 177.584 0.335 0.000 1.181 393 A CA 2.325 54.660 52.037 0.497 0.000 0.623 393 A CB -1.244 18.082 19.000 0.543 0.000 0.818 393 A HN 0.198 nan 8.150 nan 0.000 0.443 394 V N 0.201 120.326 119.914 0.352 0.000 2.295 394 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 394 V C 2.553 178.648 176.094 0.002 0.000 1.049 394 V CA 1.961 64.449 62.300 0.313 0.000 1.024 394 V CB -0.725 31.343 31.823 0.407 0.000 0.648 394 V HN 0.574 nan 8.190 nan 0.000 0.447 395 L N -0.071 120.997 121.223 -0.257 0.000 2.141 395 L HA -0.127 4.213 4.340 -0.000 0.000 0.209 395 L C 2.687 179.067 176.870 -0.816 0.000 1.094 395 L CA 1.385 55.782 54.840 -0.737 0.000 0.763 395 L CB -0.794 40.458 42.059 -1.345 0.000 0.908 395 L HN 0.375 nan 8.230 nan 0.000 0.437 396 A N -0.661 121.814 122.820 -0.575 0.000 1.930 396 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 396 A C 1.928 179.355 177.584 -0.261 0.000 1.175 396 A CA 1.138 52.979 52.037 -0.327 0.000 0.627 396 A CB -0.800 17.869 19.000 -0.551 0.000 0.815 396 A HN 0.471 nan 8.150 nan 0.000 0.443 397 W N 0.207 121.391 121.300 -0.193 0.000 2.355 397 W HA -0.088 4.572 4.660 -0.000 0.000 0.309 397 W C 2.093 178.433 176.519 -0.299 0.000 1.206 397 W CA 1.414 58.668 57.345 -0.152 0.000 1.284 397 W CB -0.315 29.148 29.460 0.005 0.000 1.145 397 W HN 0.219 nan 8.180 nan 0.000 0.502 398 L N -0.505 120.583 121.223 -0.226 0.000 2.083 398 L HA -0.261 4.079 4.340 -0.000 0.000 0.209 398 L C 2.347 179.094 176.870 -0.204 0.000 1.083 398 L CA 1.389 56.041 54.840 -0.312 0.000 0.752 398 L CB -1.035 40.799 42.059 -0.376 0.000 0.899 398 L HN -0.121 nan 8.230 nan 0.000 0.433 399 S N 0.024 115.606 115.700 -0.197 0.000 2.383 399 S HA -0.080 4.390 4.470 -0.000 0.000 0.227 399 S C 1.936 176.488 174.600 -0.080 0.000 1.026 399 S CA 1.086 59.228 58.200 -0.095 0.000 0.981 399 S CB -0.176 63.024 63.200 -0.000 0.000 0.818 399 S HN 0.312 nan 8.310 nan 0.000 0.472 400 I N 1.179 121.668 120.570 -0.135 0.000 2.286 400 I HA -0.123 4.047 4.170 -0.000 0.000 0.245 400 I C 2.096 178.163 176.117 -0.083 0.000 1.104 400 I CA 0.918 62.129 61.300 -0.149 0.000 1.397 400 I CB -0.344 37.456 38.000 -0.333 0.000 1.072 400 I HN 0.211 nan 8.210 nan 0.000 0.417 401 L N 0.633 121.823 121.223 -0.054 0.000 2.017 401 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 401 L C 2.901 179.751 176.870 -0.033 0.000 1.073 401 L CA 1.498 56.330 54.840 -0.014 0.000 0.745 401 L CB -0.692 41.354 42.059 -0.022 0.000 0.894 401 L HN 0.253 nan 8.230 nan 0.000 0.432 402 A N -0.396 122.392 122.820 -0.054 0.000 1.883 402 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 402 A C 2.345 179.918 177.584 -0.018 0.000 1.186 402 A CA 2.524 54.538 52.037 -0.038 0.000 0.624 402 A CB -1.030 17.944 19.000 -0.043 0.000 0.822 402 A HN 0.425 nan 8.150 nan 0.000 0.444 403 T N -0.276 114.269 114.554 -0.014 0.000 2.708 403 T HA -0.115 4.235 4.350 -0.000 0.000 0.266 403 T C 2.031 176.730 174.700 -0.002 0.000 1.037 403 T CA 1.366 63.465 62.100 -0.001 0.000 1.146 403 T CB -0.210 68.661 68.868 0.005 0.000 0.865 403 T HN 0.356 nan 8.240 nan 0.000 0.435 404 R N 0.764 121.258 120.500 -0.009 0.000 2.153 404 R HA 0.138 4.478 4.340 -0.000 0.000 0.218 404 R C 1.016 177.316 176.300 0.000 0.000 1.072 404 R CA 0.406 56.503 56.100 -0.004 0.000 0.990 404 R CB -0.261 30.035 30.300 -0.007 0.000 0.889 404 R HN 0.306 nan 8.270 nan 0.000 0.452 405 K N 0.123 120.523 120.400 -0.001 0.000 3.193 405 K HA -0.208 4.112 4.320 -0.000 0.000 0.294 405 K C -0.267 176.336 176.600 0.005 0.000 1.185 405 K CA 1.013 57.300 56.287 0.000 0.000 0.866 405 K CB -1.107 31.392 32.500 -0.001 0.000 1.227 405 K HN 0.358 nan 8.250 nan 0.000 0.467 406 Q N -0.406 119.401 119.800 0.012 0.000 2.241 406 Q HA 0.515 4.854 4.340 -0.000 0.000 0.262 406 Q C 0.204 176.226 176.000 0.038 0.000 1.014 406 Q CA -0.400 55.413 55.803 0.017 0.000 0.885 406 Q CB 1.819 30.566 28.738 0.015 0.000 1.311 406 Q HN 0.278 nan 8.270 nan 0.000 0.461 407 S N -0.717 115.002 115.700 0.031 0.000 2.655 407 S HA 0.165 4.635 4.470 -0.000 0.000 0.265 407 S C 1.132 175.791 174.600 0.097 0.000 1.240 407 S CA -0.728 57.503 58.200 0.051 0.000 0.986 407 S CB 0.701 63.906 63.200 0.009 0.000 0.985 407 S HN 0.429 nan 8.310 nan 0.000 0.562 408 V N 1.242 121.244 119.914 0.146 0.000 2.332 408 V HA -0.142 3.978 4.120 -0.000 0.000 0.248 408 V C 2.903 179.079 176.094 0.136 0.000 1.055 408 V CA 2.150 64.580 62.300 0.216 0.000 1.038 408 V CB -1.081 30.837 31.823 0.159 0.000 0.651 408 V HN 0.899 nan 8.190 nan 0.000 0.450 409 E N 0.243 120.402 120.200 -0.069 0.000 2.058 409 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 409 E C 1.911 178.379 176.600 -0.219 0.000 0.997 409 E CA 2.018 58.163 56.400 -0.424 0.000 0.801 409 E CB -0.205 29.166 29.700 -0.548 0.000 0.746 409 E HN 0.721 nan 8.360 nan 0.000 0.450 410 D N -0.118 120.219 120.400 -0.104 0.000 2.234 410 D HA -0.030 4.610 4.640 -0.000 0.000 0.205 410 D C 1.888 178.168 176.300 -0.034 0.000 0.962 410 D CA 0.441 54.406 54.000 -0.059 0.000 0.855 410 D CB 0.044 40.824 40.800 -0.034 0.000 0.951 410 D HN 0.174 nan 8.370 nan 0.000 0.500 411 I N 0.049 120.621 120.570 0.004 0.000 2.252 411 I HA -0.196 3.974 4.170 -0.000 0.000 0.245 411 I C 1.840 177.925 176.117 -0.053 0.000 1.102 411 I CA 0.710 62.019 61.300 0.016 0.000 1.385 411 I CB -0.015 38.036 38.000 0.086 0.000 1.064 411 I HN 0.025 nan 8.210 nan 0.000 0.414 412 L N 0.489 121.626 121.223 -0.143 0.000 2.027 412 L HA -0.179 4.161 4.340 -0.000 0.000 0.206 412 L C 2.528 178.966 176.870 -0.720 0.000 1.074 412 L CA 1.601 56.108 54.840 -0.554 0.000 0.745 412 L CB -0.506 41.179 42.059 -0.623 0.000 0.898 412 L HN 0.052 nan 8.230 nan 0.000 0.433 413 K N -0.430 119.764 120.400 -0.342 0.000 2.074 413 K HA -0.271 4.049 4.320 -0.000 0.000 0.209 413 K C 1.849 178.516 176.600 0.112 0.000 1.048 413 K CA 1.835 58.135 56.287 0.022 0.000 0.926 413 K CB -0.421 32.123 32.500 0.073 0.000 0.713 413 K HN 0.420 nan 8.250 nan 0.000 0.444 414 D N 0.159 120.578 120.400 0.032 0.000 2.178 414 D HA -0.177 4.463 4.640 -0.000 0.000 0.202 414 D C 1.823 178.202 176.300 0.131 0.000 0.974 414 D CA 1.116 55.154 54.000 0.064 0.000 0.841 414 D CB 0.155 40.963 40.800 0.013 0.000 0.953 414 D HN 0.306 nan 8.370 nan 0.000 0.478 415 H N -0.719 118.356 119.070 0.008 0.000 2.333 415 H HA -0.079 4.477 4.556 0.000 0.000 0.302 415 H C 1.814 177.327 175.328 0.308 0.000 1.075 415 H CA 1.778 57.912 56.048 0.143 0.000 1.348 415 H CB -0.278 29.492 29.762 0.013 0.000 1.393 415 H HN 0.129 nan 8.280 nan 0.000 0.509 416 W N 0.303 121.760 121.300 0.263 0.000 2.363 416 W HA -0.139 4.521 4.660 -0.000 0.000 0.296 416 W C 2.379 178.948 176.519 0.084 0.000 1.212 416 W CA 1.583 59.013 57.345 0.142 0.000 1.260 416 W CB -1.361 28.166 29.460 0.111 0.000 1.131 416 W HN 0.498 nan 8.180 nan 0.000 0.530 417 H N 0.010 119.224 119.070 0.240 0.000 2.423 417 H HA -0.072 4.484 4.556 -0.000 0.000 0.297 417 H C 2.025 177.352 175.328 -0.002 0.000 1.075 417 H CA 2.173 58.285 56.048 0.108 0.000 1.342 417 H CB 0.299 30.109 29.762 0.079 0.000 1.395 417 H HN -0.015 nan 8.280 nan 0.000 0.530 418 K N -0.707 119.714 120.400 0.035 0.000 2.044 418 K HA -0.008 4.312 4.320 -0.000 0.000 0.204 418 K C 1.375 177.730 176.600 -0.408 0.000 1.045 418 K CA 1.204 57.322 56.287 -0.282 0.000 0.951 418 K CB 0.089 32.186 32.500 -0.671 0.000 0.738 418 K HN 0.181 nan 8.250 nan 0.000 0.443 419 F N 0.364 120.285 119.950 -0.049 0.000 2.530 419 F HA 0.236 4.763 4.527 0.000 0.000 0.292 419 F C 1.043 176.920 175.800 0.128 0.000 1.109 419 F CA 0.507 58.492 58.000 -0.025 0.000 1.450 419 F CB 0.247 39.121 39.000 -0.209 0.000 1.114 419 F HN 0.154 nan 8.300 nan 0.000 0.560 420 G N 0.903 109.868 108.800 0.275 0.000 2.697 420 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.686 420 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.686 420 G C -0.920 174.037 174.900 0.095 0.000 1.179 420 G CA -1.078 44.105 45.100 0.138 0.000 0.765 420 G HN 0.317 nan 8.290 nan 0.000 0.649 421 R N 0.864 121.214 120.500 -0.251 0.000 2.207 421 R HA 0.432 4.772 4.340 -0.000 0.000 0.334 421 R C -0.236 175.823 176.300 -0.402 0.000 1.013 421 R CA -0.717 55.084 56.100 -0.498 0.000 0.858 421 R CB 0.212 29.812 30.300 -1.167 0.000 1.094 421 R HN 0.445 nan 8.270 nan 0.000 0.457 422 N N 4.437 123.077 118.700 -0.100 0.000 2.482 422 N HA 0.110 4.850 4.740 -0.000 0.000 0.242 422 N C -1.146 174.358 175.510 -0.010 0.000 1.100 422 N CA -0.007 53.109 53.050 0.109 0.000 0.946 422 N CB 0.271 38.890 38.487 0.221 0.000 1.227 422 N HN 0.358 nan 8.380 nan 0.000 0.508 423 F N 1.960 121.921 119.950 0.018 0.000 2.563 423 F HA 0.232 4.759 4.527 -0.000 0.000 0.363 423 F C 0.434 176.333 175.800 0.165 0.000 1.123 423 F CA 0.240 58.256 58.000 0.027 0.000 1.307 423 F CB 0.317 39.296 39.000 -0.034 0.000 1.115 423 F HN 0.294 nan 8.300 nan 0.000 0.592 424 F N 1.765 121.817 119.950 0.169 0.000 2.601 424 F HA 0.592 5.118 4.527 -0.000 0.000 0.309 424 F C -0.491 175.392 175.800 0.139 0.000 1.089 424 F CA -0.291 57.783 58.000 0.125 0.000 0.940 424 F CB 2.083 41.130 39.000 0.079 0.000 1.273 424 F HN 0.403 nan 8.300 nan 0.000 0.450 425 T N 4.423 118.612 114.554 -0.607 0.000 2.840 425 T HA 0.467 4.817 4.350 -0.000 0.000 0.317 425 T C -2.141 172.291 174.700 -0.447 0.000 1.401 425 T CA -0.724 61.212 62.100 -0.274 0.000 1.028 425 T CB 1.587 70.421 68.868 -0.057 0.000 1.317 425 T HN 0.787 nan 8.240 nan 0.000 0.495 426 R N 3.032 123.484 120.500 -0.080 0.000 2.518 426 R HA 0.303 4.643 4.340 -0.000 0.000 0.296 426 R C -1.695 174.630 176.300 0.042 0.000 1.080 426 R CA -0.469 55.587 56.100 -0.074 0.000 0.922 426 R CB 0.898 31.246 30.300 0.080 0.000 1.184 426 R HN 0.788 nan 8.270 nan 0.000 0.445 427 Y N 3.176 123.303 120.300 -0.289 0.000 2.404 427 Y HA 0.167 4.717 4.550 0.000 0.000 0.344 427 Y C 0.181 175.879 175.900 -0.336 0.000 0.995 427 Y CA -0.513 57.398 58.100 -0.315 0.000 1.201 427 Y CB 1.227 39.523 38.460 -0.272 0.000 1.151 427 Y HN 0.365 nan 8.280 nan 0.000 0.517 428 D N 3.942 124.176 120.400 -0.276 0.000 2.308 428 D HA 0.154 4.794 4.640 -0.000 0.000 0.242 428 D C -1.214 174.906 176.300 -0.300 0.000 1.059 428 D CA -0.411 53.479 54.000 -0.182 0.000 0.830 428 D CB 1.510 42.254 40.800 -0.093 0.000 1.161 428 D HN 0.452 nan 8.370 nan 0.000 0.494 429 Y N 1.515 121.808 120.300 -0.011 0.000 2.491 429 Y HA 0.125 4.675 4.550 -0.000 0.000 0.334 429 Y C 1.417 177.321 175.900 0.007 0.000 0.969 429 Y CA -0.510 57.588 58.100 -0.002 0.000 1.241 429 Y CB 1.317 39.789 38.460 0.020 0.000 1.105 429 Y HN 0.327 nan 8.280 nan 0.000 0.503 430 E N 1.493 121.749 120.200 0.092 0.000 1.997 430 E HA -0.087 4.263 4.350 -0.000 0.000 0.196 430 E C 0.347 176.994 176.600 0.079 0.000 0.990 430 E CA 1.065 57.511 56.400 0.077 0.000 0.845 430 E CB 0.197 29.924 29.700 0.045 0.000 0.795 430 E HN 0.444 nan 8.360 nan 0.000 0.479 431 E N 0.953 121.191 120.200 0.064 0.000 2.110 431 E HA 0.102 4.452 4.350 -0.000 0.000 0.300 431 E C -0.957 175.676 176.600 0.054 0.000 1.278 431 E CA -0.056 56.377 56.400 0.054 0.000 1.365 431 E CB 0.188 29.913 29.700 0.041 0.000 1.283 431 E HN -0.003 nan 8.360 nan 0.000 0.490 432 V N 2.559 122.510 119.914 0.062 0.000 2.583 432 V HA -0.022 4.098 4.120 -0.000 0.000 0.287 432 V C 0.604 176.715 176.094 0.028 0.000 1.051 432 V CA -0.481 61.846 62.300 0.046 0.000 1.010 432 V CB 1.053 32.906 31.823 0.051 0.000 0.988 432 V HN 0.481 nan 8.190 nan 0.000 0.478 433 E N 4.803 125.012 120.200 0.016 0.000 2.360 433 E HA 0.383 4.733 4.350 -0.000 0.000 0.269 433 E C 0.870 177.473 176.600 0.006 0.000 1.022 433 E CA 0.371 56.777 56.400 0.011 0.000 0.887 433 E CB 1.249 30.953 29.700 0.006 0.000 0.990 433 E HN 0.612 nan 8.360 nan 0.000 0.426 434 A N 3.402 126.227 122.820 0.009 0.000 1.940 434 A HA -0.283 4.037 4.320 -0.000 0.000 0.219 434 A C 2.085 179.667 177.584 -0.003 0.000 1.176 434 A CA 1.826 53.867 52.037 0.006 0.000 0.631 434 A CB -0.806 18.201 19.000 0.011 0.000 0.814 434 A HN 0.906 nan 8.150 nan 0.000 0.446 435 E N -0.577 119.619 120.200 -0.006 0.000 2.051 435 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 435 E C 2.082 178.669 176.600 -0.022 0.000 0.991 435 E CA 1.199 57.592 56.400 -0.012 0.000 0.799 435 E CB -0.479 29.215 29.700 -0.010 0.000 0.748 435 E HN 0.498 nan 8.360 nan 0.000 0.449 436 G N 0.492 109.278 108.800 -0.023 0.000 2.446 436 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.217 436 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.217 436 G C 1.641 176.513 174.900 -0.048 0.000 1.168 436 G CA 1.027 46.105 45.100 -0.036 0.000 0.771 436 G HN 0.431 nan 8.290 nan 0.000 0.551 437 A N 0.326 123.124 122.820 -0.037 0.000 1.873 437 A HA 0.008 4.328 4.320 -0.000 0.000 0.215 437 A C 2.553 180.110 177.584 -0.045 0.000 1.186 437 A CA 2.465 54.477 52.037 -0.041 0.000 0.616 437 A CB -0.947 18.045 19.000 -0.013 0.000 0.823 437 A HN 0.305 nan 8.150 nan 0.000 0.442 438 T N -0.261 114.275 114.554 -0.031 0.000 2.821 438 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 438 T C 1.928 176.596 174.700 -0.054 0.000 1.046 438 T CA 1.569 63.649 62.100 -0.033 0.000 1.139 438 T CB -0.163 68.694 68.868 -0.018 0.000 0.871 438 T HN 0.615 nan 8.240 nan 0.000 0.454 439 K N 0.993 121.360 120.400 -0.056 0.000 2.025 439 K HA -0.003 4.317 4.320 -0.000 0.000 0.207 439 K C 2.443 178.984 176.600 -0.098 0.000 1.049 439 K CA 1.067 57.314 56.287 -0.067 0.000 0.933 439 K CB -0.284 32.182 32.500 -0.057 0.000 0.714 439 K HN 0.257 nan 8.250 nan 0.000 0.438 440 M N 0.251 119.786 119.600 -0.110 0.000 2.108 440 M HA -0.217 4.263 4.480 -0.000 0.000 0.261 440 M C 1.860 178.037 176.300 -0.205 0.000 1.066 440 M CA 1.490 56.696 55.300 -0.157 0.000 1.107 440 M CB 0.008 32.513 32.600 -0.158 0.000 1.356 440 M HN 0.241 nan 8.290 nan 0.000 0.406 441 M N 0.169 119.671 119.600 -0.163 0.000 2.077 441 M HA -0.169 4.311 4.480 -0.000 0.000 0.261 441 M C 1.958 178.148 176.300 -0.184 0.000 1.070 441 M CA 1.791 56.986 55.300 -0.175 0.000 1.125 441 M CB -1.306 31.238 32.600 -0.093 0.000 1.339 441 M HN 0.225 nan 8.290 nan 0.000 0.409 442 K N 0.176 120.494 120.400 -0.135 0.000 2.063 442 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 442 K C 1.615 178.117 176.600 -0.163 0.000 1.048 442 K CA 1.481 57.690 56.287 -0.130 0.000 0.928 442 K CB -0.205 32.246 32.500 -0.081 0.000 0.713 442 K HN 0.276 nan 8.250 nan 0.000 0.442 443 D N 0.931 121.234 120.400 -0.162 0.000 2.084 443 D HA -0.148 4.492 4.640 -0.000 0.000 0.196 443 D C 1.814 177.973 176.300 -0.236 0.000 0.985 443 D CA 0.747 54.646 54.000 -0.168 0.000 0.826 443 D CB -0.338 40.374 40.800 -0.147 0.000 0.978 443 D HN -0.013 nan 8.370 nan 0.000 0.456 444 L N 1.290 122.339 121.223 -0.290 0.000 2.042 444 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 444 L C 2.073 178.683 176.870 -0.434 0.000 1.076 444 L CA 1.836 56.452 54.840 -0.374 0.000 0.749 444 L CB -0.597 41.181 42.059 -0.470 0.000 0.893 444 L HN 0.028 nan 8.230 nan 0.000 0.432 445 E N -0.678 119.255 120.200 -0.445 0.000 2.038 445 E HA -0.246 4.104 4.350 -0.000 0.000 0.195 445 E C 2.130 178.316 176.600 -0.691 0.000 1.000 445 E CA 1.370 57.359 56.400 -0.685 0.000 0.803 445 E CB -0.260 29.116 29.700 -0.541 0.000 0.750 445 E HN 0.591 nan 8.360 nan 0.000 0.448 446 A N 1.298 123.900 122.820 -0.364 0.000 1.908 446 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 446 A C 2.253 179.723 177.584 -0.190 0.000 1.181 446 A CA 1.453 53.379 52.037 -0.185 0.000 0.627 446 A CB -0.805 18.125 19.000 -0.118 0.000 0.818 446 A HN 0.474 nan 8.150 nan 0.000 0.445 447 L N -1.221 119.831 121.223 -0.285 0.000 2.017 447 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 447 L C 2.636 179.171 176.870 -0.557 0.000 1.073 447 L CA 2.019 56.646 54.840 -0.354 0.000 0.745 447 L CB -0.242 41.586 42.059 -0.385 0.000 0.894 447 L HN 0.429 nan 8.230 nan 0.000 0.432 448 M N -1.054 118.162 119.600 -0.640 0.000 2.117 448 M HA -0.201 4.279 4.480 -0.000 0.000 0.262 448 M C 1.800 178.169 176.300 0.116 0.000 1.065 448 M CA 1.519 56.502 55.300 -0.528 0.000 1.114 448 M CB -0.217 32.187 32.600 -0.325 0.000 1.361 448 M HN 0.192 nan 8.290 nan 0.000 0.408 449 F N 0.612 120.526 119.950 -0.062 0.000 2.771 449 F HA 0.020 4.546 4.527 -0.000 0.000 0.299 449 F C 0.728 176.551 175.800 0.037 0.000 1.177 449 F CA -0.265 57.744 58.000 0.015 0.000 1.450 449 F CB -1.545 37.452 39.000 -0.005 0.000 1.114 449 F HN 0.137 nan 8.300 nan 0.000 0.587 450 D N 0.710 121.232 120.400 0.203 0.000 2.443 450 D HA -0.023 4.616 4.640 -0.000 0.000 0.239 450 D C 1.831 178.240 176.300 0.181 0.000 1.136 450 D CA -0.164 53.928 54.000 0.154 0.000 0.879 450 D CB 0.835 41.698 40.800 0.105 0.000 1.195 450 D HN -0.057 nan 8.370 nan 0.000 0.443 451 R N 1.890 122.465 120.500 0.124 0.000 2.139 451 R HA -0.165 4.175 4.340 -0.000 0.000 0.243 451 R C 1.014 177.384 176.300 0.117 0.000 1.145 451 R CA 1.883 58.045 56.100 0.103 0.000 0.976 451 R CB -1.389 28.951 30.300 0.068 0.000 0.866 451 R HN 0.398 nan 8.270 nan 0.000 0.449 452 S N -1.023 114.759 115.700 0.137 0.000 2.540 452 S HA 0.123 4.593 4.470 -0.000 0.000 0.218 452 S C 1.438 176.154 174.600 0.193 0.000 0.977 452 S CA -0.549 57.730 58.200 0.130 0.000 0.918 452 S CB -0.459 62.800 63.200 0.100 0.000 0.806 452 S HN 0.337 nan 8.310 nan 0.000 0.496 453 F N 2.466 122.463 119.950 0.079 0.000 2.163 453 F HA 0.153 4.681 4.527 0.001 0.000 0.297 453 F C 0.683 176.553 175.800 0.118 0.000 1.094 453 F CA 0.358 58.421 58.000 0.106 0.000 1.290 453 F CB 0.097 39.172 39.000 0.125 0.000 1.017 453 F HN -0.050 nan 8.300 nan 0.000 0.483 454 V N 1.701 121.650 119.914 0.058 0.000 2.485 454 V HA 0.255 4.375 4.120 -0.000 0.000 0.287 454 V C 0.960 177.033 176.094 -0.035 0.000 1.022 454 V CA 1.229 63.514 62.300 -0.026 0.000 1.067 454 V CB 0.060 31.914 31.823 0.051 0.000 0.967 454 V HN 0.676 nan 8.190 nan 0.000 0.479 455 G N 4.607 113.370 108.800 -0.062 0.000 2.307 455 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.210 455 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.210 455 G C 0.360 175.222 174.900 -0.064 0.000 1.005 455 G CA 0.015 45.096 45.100 -0.031 0.000 0.634 455 G HN 0.817 nan 8.290 nan 0.000 0.496 456 K N 2.574 122.889 120.400 -0.142 0.000 2.430 456 K HA 0.325 4.645 4.320 -0.000 0.000 0.280 456 K C 0.698 177.157 176.600 -0.236 0.000 1.063 456 K CA 0.432 56.589 56.287 -0.216 0.000 1.071 456 K CB -0.005 32.319 32.500 -0.294 0.000 0.899 456 K HN 0.532 nan 8.250 nan 0.000 0.473 457 Q N 3.081 122.730 119.800 -0.252 0.000 2.260 457 Q HA 0.389 4.729 4.340 -0.000 0.000 0.242 457 Q C -0.739 174.991 176.000 -0.449 0.000 0.932 457 Q CA -0.364 55.336 55.803 -0.172 0.000 0.891 457 Q CB 0.852 29.539 28.738 -0.085 0.000 1.222 457 Q HN 0.496 nan 8.270 nan 0.000 0.453 458 F N -0.158 119.835 119.950 0.072 0.000 2.599 458 F HA 0.512 5.038 4.527 -0.000 0.000 0.311 458 F C -0.190 175.654 175.800 0.075 0.000 1.076 458 F CA -0.582 57.463 58.000 0.075 0.000 0.937 458 F CB 2.369 41.419 39.000 0.083 0.000 1.282 458 F HN 0.614 nan 8.300 nan 0.000 0.460 459 S N 0.300 116.158 115.700 0.263 0.000 2.567 459 S HA 0.823 5.293 4.470 -0.000 0.000 0.270 459 S C -0.747 173.928 174.600 0.124 0.000 1.152 459 S CA -0.213 58.093 58.200 0.176 0.000 0.835 459 S CB 1.641 64.892 63.200 0.085 0.000 1.115 459 S HN 1.277 nan 8.310 nan 0.000 0.459 460 A N 0.850 123.725 122.820 0.092 0.000 2.631 460 A HA 0.596 4.916 4.320 -0.000 0.000 0.258 460 A C 0.251 177.853 177.584 0.030 0.000 1.027 460 A CA -0.070 51.999 52.037 0.053 0.000 1.015 460 A CB -0.324 18.699 19.000 0.038 0.000 1.206 460 A HN 0.802 nan 8.150 nan 0.000 0.556 461 N N -1.517 117.199 118.700 0.026 0.000 3.405 461 N HA -0.075 4.665 4.740 -0.000 0.000 0.381 461 N C 0.095 175.601 175.510 -0.007 0.000 1.306 461 N CA 0.413 53.466 53.050 0.005 0.000 0.834 461 N CB -0.287 38.198 38.487 -0.003 0.000 2.507 461 N HN 0.069 nan 8.380 nan 0.000 0.421 462 D N 1.221 121.607 120.400 -0.023 0.000 2.157 462 D HA -0.077 4.563 4.640 -0.000 0.000 0.197 462 D C 0.086 176.342 176.300 -0.075 0.000 0.995 462 D CA 1.527 55.501 54.000 -0.043 0.000 0.860 462 D CB -0.009 40.763 40.800 -0.046 0.000 1.016 462 D HN 0.216 nan 8.370 nan 0.000 0.452 463 K N -0.173 120.157 120.400 -0.117 0.000 2.491 463 K HA 0.112 4.432 4.320 -0.000 0.000 0.279 463 K C -1.030 175.374 176.600 -0.327 0.000 1.026 463 K CA -0.235 55.892 56.287 -0.267 0.000 1.070 463 K CB 0.891 33.155 32.500 -0.394 0.000 0.887 463 K HN 0.049 nan 8.250 nan 0.000 0.481 464 V N 5.825 125.534 119.914 -0.343 0.000 2.370 464 V HA 0.157 4.277 4.120 -0.000 0.000 0.279 464 V C -0.773 175.109 176.094 -0.353 0.000 1.029 464 V CA -0.692 61.478 62.300 -0.216 0.000 0.870 464 V CB 0.403 32.163 31.823 -0.105 0.000 0.984 464 V HN 0.521 nan 8.190 nan 0.000 0.451 465 Y N 2.342 122.577 120.300 -0.107 0.000 2.367 465 Y HA 0.437 4.988 4.550 0.001 0.000 0.342 465 Y C 0.946 176.889 175.900 0.071 0.000 0.979 465 Y CA -0.456 57.515 58.100 -0.214 0.000 1.161 465 Y CB 1.284 39.243 38.460 -0.835 0.000 1.155 465 Y HN 0.529 nan 8.280 nan 0.000 0.503 466 T N 3.774 118.496 114.554 0.280 0.000 2.749 466 T HA 0.287 4.637 4.350 -0.000 0.000 0.287 466 T C -0.112 174.841 174.700 0.422 0.000 0.970 466 T CA -0.709 61.560 62.100 0.282 0.000 0.980 466 T CB 0.749 69.692 68.868 0.125 0.000 0.924 466 T HN 0.281 nan 8.240 nan 0.000 0.456 467 V N 4.083 124.203 119.914 0.343 0.000 2.493 467 V HA 0.033 4.153 4.120 -0.000 0.000 0.292 467 V C 1.513 177.631 176.094 0.040 0.000 1.016 467 V CA 0.458 62.825 62.300 0.111 0.000 1.097 467 V CB 0.498 32.210 31.823 -0.185 0.000 0.947 467 V HN 0.975 nan 8.190 nan 0.000 0.479 468 E N 4.270 124.492 120.200 0.038 0.000 2.162 468 E HA 0.130 4.480 4.350 -0.000 0.000 0.193 468 E C 0.809 177.421 176.600 0.020 0.000 0.953 468 E CA 0.323 56.747 56.400 0.040 0.000 0.849 468 E CB 0.509 30.247 29.700 0.063 0.000 0.810 468 E HN 0.649 nan 8.360 nan 0.000 0.470 469 K N -0.670 119.729 120.400 -0.001 0.000 2.532 469 K HA 0.623 4.943 4.320 -0.000 0.000 0.265 469 K C -2.095 174.537 176.600 0.053 0.000 0.948 469 K CA -0.574 55.735 56.287 0.037 0.000 0.842 469 K CB 2.205 34.733 32.500 0.046 0.000 1.392 469 K HN 0.017 nan 8.250 nan 0.000 0.436 470 A N 2.648 125.557 122.820 0.148 0.000 2.456 470 A HA 0.580 4.900 4.320 -0.000 0.000 0.288 470 A C -1.839 175.937 177.584 0.321 0.000 1.042 470 A CA -0.541 51.634 52.037 0.231 0.000 0.738 470 A CB 0.968 20.207 19.000 0.397 0.000 1.266 470 A HN 0.892 nan 8.150 nan 0.000 0.407 471 D N 0.747 121.342 120.400 0.324 0.000 2.692 471 D HA 0.416 5.056 4.640 -0.000 0.000 0.303 471 D C -1.047 175.495 176.300 0.404 0.000 1.278 471 D CA -0.638 53.635 54.000 0.455 0.000 0.852 471 D CB 0.785 41.741 40.800 0.260 0.000 1.375 471 D HN 0.230 nan 8.370 nan 0.000 0.453 472 N N 0.091 119.064 118.700 0.456 0.000 2.444 472 N HA 0.285 5.025 4.740 -0.000 0.000 0.262 472 N C -1.547 174.127 175.510 0.274 0.000 0.974 472 N CA -0.650 52.596 53.050 0.327 0.000 0.933 472 N CB 0.616 39.309 38.487 0.344 0.000 1.137 472 N HN 0.428 nan 8.380 nan 0.000 0.498 473 F N 2.443 122.455 119.950 0.104 0.000 2.578 473 F HA 0.134 4.661 4.527 0.000 0.000 0.376 473 F C 0.599 176.420 175.800 0.036 0.000 1.085 473 F CA 0.233 58.270 58.000 0.062 0.000 1.260 473 F CB 0.490 39.508 39.000 0.031 0.000 1.095 473 F HN 0.446 nan 8.300 nan 0.000 0.573 474 E N 5.924 125.691 120.200 -0.720 0.000 2.248 474 E HA 0.240 4.590 4.350 -0.000 0.000 0.267 474 E C -2.110 173.959 176.600 -0.884 0.000 0.877 474 E CA -0.891 55.118 56.400 -0.653 0.000 0.759 474 E CB 1.669 31.177 29.700 -0.320 0.000 1.182 474 E HN 0.711 nan 8.360 nan 0.000 0.418 475 Y N 2.890 122.687 120.300 -0.838 0.000 2.391 475 Y HA 0.349 4.899 4.550 -0.000 0.000 0.341 475 Y C -1.406 174.228 175.900 -0.443 0.000 0.965 475 Y CA -0.715 57.033 58.100 -0.587 0.000 1.067 475 Y CB 1.313 39.443 38.460 -0.550 0.000 1.199 475 Y HN 0.591 nan 8.280 nan 0.000 0.450 476 H N 3.798 122.489 119.070 -0.631 0.000 2.718 476 H HA 0.189 4.745 4.556 -0.000 0.000 0.295 476 H C -0.755 174.224 175.328 -0.582 0.000 1.051 476 H CA -1.010 54.795 56.048 -0.405 0.000 1.260 476 H CB 0.737 30.346 29.762 -0.255 0.000 1.403 476 H HN 0.576 nan 8.280 nan 0.000 0.488 477 D N 4.533 124.756 120.400 -0.294 0.000 2.458 477 D HA -0.032 4.608 4.640 -0.000 0.000 0.243 477 D C -1.290 174.963 176.300 -0.078 0.000 1.146 477 D CA -1.132 52.780 54.000 -0.146 0.000 0.877 477 D CB 1.434 42.352 40.800 0.197 0.000 1.176 477 D HN 0.331 nan 8.370 nan 0.000 0.461 478 P HA -0.056 nan 4.420 nan 0.000 0.231 478 P C 1.363 178.655 177.300 -0.013 0.000 1.168 478 P CA 0.210 63.286 63.100 -0.040 0.000 0.779 478 P CB 0.685 32.363 31.700 -0.036 0.000 0.844 479 V N 2.112 122.029 119.914 0.004 0.000 2.398 479 V HA -0.112 4.008 4.120 -0.000 0.000 0.236 479 V C 1.963 178.065 176.094 0.013 0.000 1.054 479 V CA 2.342 64.646 62.300 0.007 0.000 1.060 479 V CB -1.196 30.632 31.823 0.008 0.000 0.707 479 V HN 0.170 nan 8.190 nan 0.000 0.480 480 D N 0.067 120.482 120.400 0.024 0.000 2.340 480 D HA 0.181 4.821 4.640 -0.000 0.000 0.220 480 D C 1.563 177.878 176.300 0.025 0.000 1.039 480 D CA 0.860 54.873 54.000 0.022 0.000 0.866 480 D CB 0.015 40.828 40.800 0.021 0.000 0.913 480 D HN 0.511 nan 8.370 nan 0.000 0.523 481 G N 0.448 109.262 108.800 0.023 0.000 2.189 481 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.267 481 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.267 481 G C 0.568 175.488 174.900 0.034 0.000 0.975 481 G CA 0.742 45.853 45.100 0.019 0.000 0.644 481 G HN 0.904 nan 8.290 nan 0.000 0.537 482 S N -1.005 114.726 115.700 0.051 0.000 2.576 482 S HA 0.484 4.954 4.470 -0.000 0.000 0.272 482 S C 0.142 174.766 174.600 0.040 0.000 1.352 482 S CA 0.191 58.427 58.200 0.061 0.000 1.021 482 S CB 2.049 65.303 63.200 0.091 0.000 0.887 482 S HN 1.130 nan 8.310 nan 0.000 0.542 483 V N 2.715 122.631 119.914 0.003 0.000 2.326 483 V HA 0.337 4.457 4.120 -0.000 0.000 0.281 483 V C -0.187 175.847 176.094 -0.101 0.000 1.015 483 V CA -0.659 61.563 62.300 -0.131 0.000 0.823 483 V CB 1.088 32.831 31.823 -0.133 0.000 1.009 483 V HN 0.946 nan 8.190 nan 0.000 0.436 484 S N 5.390 121.034 115.700 -0.092 0.000 2.409 484 S HA 0.414 4.884 4.470 -0.000 0.000 0.308 484 S C 0.071 174.584 174.600 -0.145 0.000 1.080 484 S CA -0.518 57.662 58.200 -0.033 0.000 1.081 484 S CB 0.247 63.488 63.200 0.069 0.000 1.009 484 S HN 0.646 nan 8.310 nan 0.000 0.502 485 K N 1.979 122.321 120.400 -0.097 0.000 2.132 485 K HA 0.366 4.686 4.320 -0.000 0.000 0.241 485 K C 0.500 177.091 176.600 -0.016 0.000 1.000 485 K CA -0.803 55.428 56.287 -0.092 0.000 0.911 485 K CB 0.288 32.751 32.500 -0.062 0.000 1.093 485 K HN 0.400 nan 8.250 nan 0.000 0.460 486 N N 1.047 119.755 118.700 0.014 0.000 2.754 486 N HA -0.158 4.582 4.740 -0.000 0.000 0.248 486 N C -0.140 175.427 175.510 0.096 0.000 1.093 486 N CA 0.452 53.541 53.050 0.066 0.000 0.699 486 N CB -0.511 38.011 38.487 0.058 0.000 1.016 486 N HN 0.509 nan 8.380 nan 0.000 0.552 487 Q N -0.453 119.421 119.800 0.123 0.000 2.444 487 Q HA 0.347 4.687 4.340 -0.000 0.000 0.206 487 Q C 1.013 177.154 176.000 0.234 0.000 0.948 487 Q CA 1.049 56.970 55.803 0.198 0.000 0.946 487 Q CB 0.194 29.109 28.738 0.294 0.000 1.027 487 Q HN 0.633 nan 8.270 nan 0.000 0.513 488 G N -0.065 108.867 108.800 0.220 0.000 2.306 488 G HA2 0.057 4.017 3.960 -0.000 0.000 0.340 488 G HA3 0.057 4.017 3.960 -0.000 0.000 0.340 488 G C -1.586 173.440 174.900 0.210 0.000 1.630 488 G CA -1.040 44.181 45.100 0.202 0.000 0.937 488 G HN 0.050 nan 8.290 nan 0.000 0.693 489 L N 1.394 122.743 121.223 0.209 0.000 2.264 489 L HA 0.576 4.916 4.340 -0.000 0.000 0.289 489 L C 0.513 177.515 176.870 0.220 0.000 1.044 489 L CA -0.705 54.252 54.840 0.196 0.000 0.807 489 L CB 1.233 43.373 42.059 0.135 0.000 1.192 489 L HN 0.509 nan 8.230 nan 0.000 0.425 490 R N 4.146 124.747 120.500 0.168 0.000 2.265 490 R HA 0.529 4.869 4.340 -0.000 0.000 0.328 490 R C -1.242 175.092 176.300 0.056 0.000 0.969 490 R CA -0.686 55.475 56.100 0.102 0.000 0.832 490 R CB 1.287 31.626 30.300 0.065 0.000 1.139 490 R HN 0.313 nan 8.270 nan 0.000 0.457 491 L N 5.004 126.207 121.223 -0.033 0.000 2.264 491 L HA 0.389 4.729 4.340 -0.000 0.000 0.287 491 L C -0.517 176.070 176.870 -0.473 0.000 1.039 491 L CA -0.136 54.565 54.840 -0.231 0.000 0.829 491 L CB 0.883 42.752 42.059 -0.316 0.000 1.211 491 L HN 0.594 nan 8.230 nan 0.000 0.427 492 I N 4.110 124.483 120.570 -0.327 0.000 2.304 492 I HA 0.270 4.440 4.170 -0.000 0.000 0.291 492 I C -0.298 175.660 176.117 -0.265 0.000 1.018 492 I CA -0.244 60.916 61.300 -0.234 0.000 1.260 492 I CB 0.380 38.347 38.000 -0.055 0.000 1.390 492 I HN 0.255 nan 8.210 nan 0.000 0.475 493 F N 3.776 123.782 119.950 0.093 0.000 2.371 493 F HA 0.376 4.904 4.527 0.001 0.000 0.329 493 F C 1.514 177.378 175.800 0.108 0.000 1.107 493 F CA -0.480 57.595 58.000 0.125 0.000 1.137 493 F CB 1.077 40.207 39.000 0.216 0.000 1.214 493 F HN 0.517 nan 8.300 nan 0.000 0.536 494 A N 1.003 124.004 122.820 0.301 0.000 2.084 494 A HA -0.199 4.121 4.320 -0.000 0.000 0.221 494 A C 1.717 179.390 177.584 0.149 0.000 1.161 494 A CA 1.944 54.085 52.037 0.173 0.000 0.653 494 A CB -0.905 18.174 19.000 0.132 0.000 0.802 494 A HN 0.805 nan 8.150 nan 0.000 0.457 495 D N -2.616 117.900 120.400 0.194 0.000 2.339 495 D HA 0.259 4.899 4.640 -0.000 0.000 0.217 495 D C 1.125 177.532 176.300 0.177 0.000 1.050 495 D CA 0.972 55.068 54.000 0.160 0.000 0.856 495 D CB -0.261 40.622 40.800 0.137 0.000 0.922 495 D HN 0.754 nan 8.370 nan 0.000 0.518 496 G N 0.017 108.921 108.800 0.173 0.000 2.176 496 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.232 496 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.232 496 G C 0.362 175.392 174.900 0.216 0.000 0.986 496 G CA 0.150 45.318 45.100 0.112 0.000 0.643 496 G HN 0.407 nan 8.290 nan 0.000 0.522 497 S N 0.144 116.048 115.700 0.341 0.000 2.614 497 S HA 0.772 5.242 4.470 -0.000 0.000 0.265 497 S C 0.556 175.378 174.600 0.370 0.000 1.303 497 S CA 0.063 58.486 58.200 0.372 0.000 1.000 497 S CB 1.014 64.465 63.200 0.419 0.000 0.935 497 S HN 0.579 nan 8.310 nan 0.000 0.551 498 R N 0.413 121.074 120.500 0.269 0.000 2.680 498 R HA 0.555 4.895 4.340 -0.000 0.000 0.269 498 R C -1.489 174.858 176.300 0.078 0.000 1.026 498 R CA -0.560 55.622 56.100 0.137 0.000 0.889 498 R CB 1.462 31.802 30.300 0.066 0.000 1.241 498 R HN 0.480 nan 8.270 nan 0.000 0.463 499 I N 2.952 123.516 120.570 -0.010 0.000 2.499 499 I HA 0.431 4.601 4.170 -0.000 0.000 0.288 499 I C -1.029 175.021 176.117 -0.112 0.000 1.048 499 I CA -0.817 60.425 61.300 -0.096 0.000 1.062 499 I CB 1.954 39.904 38.000 -0.083 0.000 1.238 499 I HN 0.365 nan 8.210 nan 0.000 0.426 500 I N 6.090 126.564 120.570 -0.160 0.000 2.545 500 I HA 0.448 4.618 4.170 -0.000 0.000 0.292 500 I C -0.936 175.109 176.117 -0.121 0.000 1.040 500 I CA -0.131 61.161 61.300 -0.013 0.000 1.068 500 I CB 1.669 39.716 38.000 0.078 0.000 1.251 500 I HN 0.233 nan 8.210 nan 0.000 0.424 501 F N 4.662 124.687 119.950 0.125 0.000 2.507 501 F HA 0.705 5.232 4.527 -0.000 0.000 0.325 501 F C 0.180 176.061 175.800 0.134 0.000 1.116 501 F CA -0.649 57.408 58.000 0.095 0.000 0.930 501 F CB 1.699 40.709 39.000 0.017 0.000 1.146 501 F HN 0.167 nan 8.300 nan 0.000 0.447 502 R N 2.491 123.178 120.500 0.312 0.000 2.574 502 R HA 0.480 4.820 4.340 -0.000 0.000 0.288 502 R C -1.709 174.706 176.300 0.192 0.000 1.004 502 R CA -1.163 55.096 56.100 0.264 0.000 0.895 502 R CB 2.542 33.049 30.300 0.344 0.000 1.191 502 R HN 0.476 nan 8.270 nan 0.000 0.444 503 L N 3.419 124.733 121.223 0.151 0.000 2.352 503 L HA 0.170 4.510 4.340 -0.000 0.000 0.272 503 L C 1.167 178.104 176.870 0.111 0.000 1.109 503 L CA 0.323 55.230 54.840 0.112 0.000 0.952 503 L CB 0.789 42.895 42.059 0.078 0.000 1.314 503 L HN 0.775 nan 8.230 nan 0.000 0.427 504 S N 1.301 117.074 115.700 0.123 0.000 2.345 504 S HA 0.074 4.544 4.470 -0.000 0.000 0.219 504 S C 1.055 175.712 174.600 0.095 0.000 1.031 504 S CA 0.380 58.652 58.200 0.119 0.000 0.984 504 S CB -0.641 62.640 63.200 0.134 0.000 0.874 504 S HN 0.565 nan 8.310 nan 0.000 0.451 505 G N 0.874 109.727 108.800 0.087 0.000 2.333 505 G HA2 0.466 4.426 3.960 -0.000 0.000 0.290 505 G HA3 0.466 4.426 3.960 -0.000 0.000 0.290 505 G C 0.509 175.446 174.900 0.061 0.000 1.150 505 G CA 0.141 45.283 45.100 0.072 0.000 0.895 505 G HN 0.504 nan 8.290 nan 0.000 0.444 506 T N 0.176 114.761 114.554 0.051 0.000 3.280 506 T HA 0.241 4.591 4.350 -0.000 0.000 0.256 506 T C 1.370 176.089 174.700 0.033 0.000 0.995 506 T CA 0.512 62.637 62.100 0.041 0.000 1.144 506 T CB 0.166 69.059 68.868 0.042 0.000 1.140 506 T HN 0.665 nan 8.240 nan 0.000 0.423 507 G N 1.465 110.284 108.800 0.032 0.000 2.448 507 G HA2 0.519 4.479 3.960 -0.000 0.000 0.309 507 G HA3 0.519 4.479 3.960 -0.000 0.000 0.309 507 G C -0.393 174.522 174.900 0.024 0.000 1.027 507 G CA 0.307 45.423 45.100 0.026 0.000 1.104 507 G HN 0.819 nan 8.290 nan 0.000 0.428 508 S N 0.685 116.398 115.700 0.022 0.000 2.686 508 S HA 0.355 4.825 4.470 -0.000 0.000 0.272 508 S C 1.216 175.828 174.600 0.019 0.000 0.937 508 S CA 0.554 58.766 58.200 0.020 0.000 1.009 508 S CB -0.356 62.858 63.200 0.023 0.000 1.276 508 S HN 1.571 nan 8.310 nan 0.000 0.459 509 A N 1.042 123.872 122.820 0.017 0.000 1.940 509 A HA 0.347 4.667 4.320 -0.000 0.000 0.219 509 A C 1.379 178.974 177.584 0.019 0.000 1.176 509 A CA 1.787 53.834 52.037 0.015 0.000 0.631 509 A CB -1.331 17.677 19.000 0.014 0.000 0.814 509 A HN 1.645 nan 8.150 nan 0.000 0.446 510 G N -1.455 107.359 108.800 0.024 0.000 2.377 510 G HA2 0.593 4.553 3.960 -0.000 0.000 0.299 510 G HA3 0.593 4.553 3.960 -0.000 0.000 0.299 510 G C -0.439 174.482 174.900 0.036 0.000 1.150 510 G CA 0.315 45.433 45.100 0.030 0.000 0.847 510 G HN 0.874 nan 8.290 nan 0.000 0.501 511 A N 1.229 124.073 122.820 0.041 0.000 2.479 511 A HA 0.920 5.240 4.320 -0.000 0.000 0.296 511 A C -0.340 177.283 177.584 0.065 0.000 1.121 511 A CA -0.680 51.386 52.037 0.048 0.000 0.743 511 A CB 1.877 20.901 19.000 0.039 0.000 1.323 511 A HN 0.718 nan 8.150 nan 0.000 0.415 512 T N 1.539 116.139 114.554 0.077 0.000 2.890 512 T HA 0.498 4.848 4.350 -0.000 0.000 0.295 512 T C -0.579 174.188 174.700 0.113 0.000 0.993 512 T CA 0.045 62.204 62.100 0.098 0.000 0.979 512 T CB 0.433 69.358 68.868 0.095 0.000 0.967 512 T HN 0.440 nan 8.240 nan 0.000 0.441 513 I N 3.855 124.513 120.570 0.147 0.000 2.325 513 I HA 0.382 4.552 4.170 -0.000 0.000 0.291 513 I C 0.518 176.743 176.117 0.180 0.000 1.019 513 I CA -0.647 60.751 61.300 0.162 0.000 1.302 513 I CB 0.772 38.853 38.000 0.134 0.000 1.401 513 I HN 0.313 nan 8.210 nan 0.000 0.485 514 R N 6.331 126.870 120.500 0.066 0.000 2.265 514 R HA 0.527 4.867 4.340 -0.000 0.000 0.328 514 R C -1.146 174.952 176.300 -0.336 0.000 0.969 514 R CA -0.962 55.036 56.100 -0.170 0.000 0.832 514 R CB 1.895 32.033 30.300 -0.270 0.000 1.139 514 R HN 0.382 nan 8.270 nan 0.000 0.457 515 L N 4.179 125.197 121.223 -0.341 0.000 2.294 515 L HA 0.375 4.715 4.340 -0.000 0.000 0.283 515 L C -1.482 175.069 176.870 -0.531 0.000 1.015 515 L CA -0.653 53.944 54.840 -0.405 0.000 0.831 515 L CB 0.553 42.504 42.059 -0.181 0.000 1.217 515 L HN 0.427 nan 8.230 nan 0.000 0.420 516 Y N 5.967 126.097 120.300 -0.283 0.000 2.328 516 Y HA 0.580 5.129 4.550 -0.000 0.000 0.337 516 Y C -0.053 175.594 175.900 -0.422 0.000 1.008 516 Y CA -0.978 56.928 58.100 -0.324 0.000 1.129 516 Y CB 1.166 39.558 38.460 -0.114 0.000 1.185 516 Y HN 0.291 nan 8.280 nan 0.000 0.476 517 I N 3.624 123.935 120.570 -0.431 0.000 2.382 517 I HA 0.195 4.365 4.170 -0.000 0.000 0.285 517 I C -0.733 175.218 176.117 -0.277 0.000 1.007 517 I CA -0.774 60.323 61.300 -0.338 0.000 1.142 517 I CB 1.260 39.041 38.000 -0.366 0.000 1.289 517 I HN 0.602 nan 8.210 nan 0.000 0.453 518 D N 4.593 124.984 120.400 -0.015 0.000 2.381 518 D HA 0.321 4.961 4.640 -0.000 0.000 0.235 518 D C -0.771 175.645 176.300 0.195 0.000 1.068 518 D CA -0.110 54.015 54.000 0.208 0.000 0.832 518 D CB 1.499 42.504 40.800 0.341 0.000 1.101 518 D HN 0.389 nan 8.370 nan 0.000 0.515 519 S N 4.331 120.171 115.700 0.233 0.000 2.733 519 S HA 0.231 4.701 4.470 -0.000 0.000 0.307 519 S C -1.282 173.520 174.600 0.336 0.000 1.127 519 S CA -0.713 57.638 58.200 0.252 0.000 1.097 519 S CB -0.019 63.271 63.200 0.150 0.000 1.003 519 S HN 0.412 nan 8.310 nan 0.000 0.477 520 Y N 4.090 124.515 120.300 0.208 0.000 2.531 520 Y HA 0.434 4.984 4.550 -0.000 0.000 0.347 520 Y C 0.117 176.119 175.900 0.171 0.000 1.024 520 Y CA -0.064 58.140 58.100 0.173 0.000 1.306 520 Y CB 0.460 39.002 38.460 0.136 0.000 1.149 520 Y HN 0.646 nan 8.280 nan 0.000 0.527 521 E N 4.924 124.847 120.200 -0.463 0.000 2.129 521 E HA 0.241 4.591 4.350 -0.000 0.000 0.268 521 E C -0.084 176.147 176.600 -0.615 0.000 0.900 521 E CA -0.506 55.695 56.400 -0.332 0.000 0.755 521 E CB 1.457 31.212 29.700 0.093 0.000 1.117 521 E HN 0.533 nan 8.360 nan 0.000 0.410 522 K N 3.003 123.128 120.400 -0.459 0.000 2.334 522 K HA 0.100 4.420 4.320 -0.000 0.000 0.195 522 K C -0.390 176.132 176.600 -0.130 0.000 1.045 522 K CA 0.200 56.325 56.287 -0.270 0.000 1.004 522 K CB 0.148 32.639 32.500 -0.016 0.000 0.837 522 K HN 0.524 nan 8.250 nan 0.000 0.510 523 D N 0.269 120.612 120.400 -0.096 0.000 2.358 523 D HA 0.014 4.654 4.640 -0.000 0.000 0.258 523 D C 0.308 176.578 176.300 -0.051 0.000 1.223 523 D CA 0.352 54.315 54.000 -0.062 0.000 0.886 523 D CB 0.332 41.107 40.800 -0.041 0.000 1.120 523 D HN 0.182 nan 8.370 nan 0.000 0.482 524 N N 3.028 121.689 118.700 -0.065 0.000 2.513 524 N HA -0.197 4.543 4.740 -0.000 0.000 0.187 524 N C 1.171 176.693 175.510 0.021 0.000 1.056 524 N CA 0.618 53.644 53.050 -0.040 0.000 0.907 524 N CB 0.112 38.540 38.487 -0.097 0.000 0.954 524 N HN 0.532 nan 8.380 nan 0.000 0.445 525 A N 1.243 124.070 122.820 0.012 0.000 1.975 525 A HA -0.015 4.305 4.320 -0.000 0.000 0.215 525 A C 2.012 179.614 177.584 0.030 0.000 1.170 525 A CA 0.849 52.900 52.037 0.024 0.000 0.656 525 A CB 0.127 19.132 19.000 0.009 0.000 0.821 525 A HN 0.132 nan 8.150 nan 0.000 0.449 526 K N -0.054 120.361 120.400 0.025 0.000 2.334 526 K HA 0.163 4.483 4.320 -0.000 0.000 0.195 526 K C 1.638 178.320 176.600 0.137 0.000 1.045 526 K CA 0.738 57.050 56.287 0.041 0.000 1.004 526 K CB -0.142 32.357 32.500 -0.002 0.000 0.837 526 K HN 0.711 nan 8.250 nan 0.000 0.510 527 I N -0.719 119.913 120.570 0.104 0.000 2.623 527 I HA -0.222 3.948 4.170 -0.000 0.000 0.261 527 I C 0.949 177.069 176.117 0.005 0.000 1.204 527 I CA 1.399 62.710 61.300 0.017 0.000 1.444 527 I CB -0.269 37.703 38.000 -0.048 0.000 1.094 527 I HN 0.072 nan 8.210 nan 0.000 0.451 528 N N 1.059 119.841 118.700 0.136 0.000 2.230 528 N HA 0.128 4.868 4.740 -0.000 0.000 0.202 528 N C 0.061 175.679 175.510 0.180 0.000 1.119 528 N CA 0.039 53.195 53.050 0.177 0.000 0.851 528 N CB 0.412 39.008 38.487 0.180 0.000 0.990 528 N HN 0.615 nan 8.380 nan 0.000 0.497 529 Q N 0.727 120.642 119.800 0.191 0.000 2.312 529 Q HA 0.077 4.417 4.340 -0.000 0.000 0.236 529 Q C -0.466 175.631 176.000 0.162 0.000 0.965 529 Q CA -0.471 55.405 55.803 0.121 0.000 0.894 529 Q CB 0.997 29.741 28.738 0.010 0.000 1.225 529 Q HN 0.049 nan 8.270 nan 0.000 0.478 530 D N 1.977 122.430 120.400 0.089 0.000 2.434 530 D HA -0.016 4.623 4.640 -0.000 0.000 0.252 530 D C -1.528 174.807 176.300 0.058 0.000 1.185 530 D CA -1.501 52.561 54.000 0.103 0.000 0.886 530 D CB 0.849 41.682 40.800 0.055 0.000 1.148 530 D HN 0.179 nan 8.370 nan 0.000 0.483 531 P HA -0.203 nan 4.420 nan 0.000 0.219 531 P C 1.020 178.318 177.300 -0.003 0.000 1.146 531 P CA 1.026 64.227 63.100 0.169 0.000 0.808 531 P CB 0.381 32.332 31.700 0.418 0.000 0.779 532 Q N -0.335 119.476 119.800 0.019 0.000 2.083 532 Q HA -0.040 4.300 4.340 -0.000 0.000 0.198 532 Q C 2.375 178.348 176.000 -0.045 0.000 0.969 532 Q CA 0.928 56.732 55.803 0.002 0.000 0.838 532 Q CB -1.173 27.578 28.738 0.021 0.000 0.900 532 Q HN 0.175 nan 8.270 nan 0.000 0.436 533 V N 0.884 120.762 119.914 -0.061 0.000 2.358 533 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 533 V C 2.252 178.252 176.094 -0.157 0.000 1.047 533 V CA 1.340 63.589 62.300 -0.085 0.000 1.035 533 V CB -0.435 31.348 31.823 -0.066 0.000 0.658 533 V HN 0.322 nan 8.190 nan 0.000 0.452 534 M N -0.927 118.504 119.600 -0.282 0.000 2.254 534 M HA 0.015 4.495 4.480 -0.000 0.000 0.265 534 M C 2.031 178.127 176.300 -0.341 0.000 1.066 534 M CA 1.585 56.621 55.300 -0.440 0.000 1.123 534 M CB -0.797 31.186 32.600 -1.027 0.000 1.388 534 M HN 0.288 nan 8.290 nan 0.000 0.425 535 L N -0.423 120.645 121.223 -0.259 0.000 2.492 535 L HA 0.055 4.395 4.340 -0.000 0.000 0.223 535 L C 2.621 179.394 176.870 -0.161 0.000 1.132 535 L CA 0.109 54.837 54.840 -0.186 0.000 0.850 535 L CB -0.685 41.289 42.059 -0.142 0.000 0.966 535 L HN 0.201 nan 8.230 nan 0.000 0.454 536 A N 1.253 123.999 122.820 -0.124 0.000 1.915 536 A HA -0.207 4.113 4.320 -0.000 0.000 0.220 536 A C -0.087 177.440 177.584 -0.095 0.000 1.198 536 A CA 2.073 54.057 52.037 -0.089 0.000 0.647 536 A CB -1.771 17.193 19.000 -0.061 0.000 0.825 536 A HN 0.261 nan 8.150 nan 0.000 0.456 537 P HA -0.129 nan 4.420 nan 0.000 0.213 537 P C 1.574 178.775 177.300 -0.165 0.000 1.170 537 P CA 0.838 63.897 63.100 -0.069 0.000 0.898 537 P CB -0.077 31.628 31.700 0.009 0.000 0.787 538 L N -1.173 119.882 121.223 -0.279 0.000 2.275 538 L HA -0.074 4.266 4.340 -0.000 0.000 0.215 538 L C 2.064 178.765 176.870 -0.282 0.000 1.119 538 L CA 1.422 56.016 54.840 -0.411 0.000 0.790 538 L CB -1.023 40.736 42.059 -0.500 0.000 0.919 538 L HN -0.068 nan 8.230 nan 0.000 0.443 539 I N -1.991 118.435 120.570 -0.239 0.000 2.353 539 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 539 I C 2.591 178.623 176.117 -0.141 0.000 1.119 539 I CA 1.220 62.369 61.300 -0.252 0.000 1.417 539 I CB -0.354 37.486 38.000 -0.266 0.000 1.078 539 I HN 0.292 nan 8.210 nan 0.000 0.421 540 S N 1.457 117.102 115.700 -0.092 0.000 2.348 540 S HA -0.175 4.295 4.470 -0.000 0.000 0.221 540 S C 2.128 176.710 174.600 -0.030 0.000 1.033 540 S CA 1.320 59.499 58.200 -0.035 0.000 1.010 540 S CB -0.378 62.812 63.200 -0.016 0.000 0.891 540 S HN 0.330 nan 8.310 nan 0.000 0.442 541 I N 1.926 122.456 120.570 -0.068 0.000 2.151 541 I HA -0.226 3.944 4.170 -0.000 0.000 0.243 541 I C 2.943 179.022 176.117 -0.064 0.000 1.080 541 I CA 1.281 62.532 61.300 -0.082 0.000 1.339 541 I CB -0.688 37.185 38.000 -0.212 0.000 1.039 541 I HN 0.457 nan 8.210 nan 0.000 0.409 542 A N 0.865 123.653 122.820 -0.054 0.000 1.892 542 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 542 A C 2.283 179.966 177.584 0.165 0.000 1.188 542 A CA 1.668 53.755 52.037 0.083 0.000 0.631 542 A CB -0.928 18.030 19.000 -0.071 0.000 0.822 542 A HN 0.424 nan 8.150 nan 0.000 0.447 543 L N -1.048 120.216 121.223 0.068 0.000 2.156 543 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 543 L C 2.588 179.484 176.870 0.043 0.000 1.095 543 L CA 1.365 56.246 54.840 0.069 0.000 0.770 543 L CB -0.390 41.704 42.059 0.057 0.000 0.914 543 L HN 0.362 nan 8.230 nan 0.000 0.439 544 K N 0.067 120.492 120.400 0.043 0.000 2.001 544 K HA -0.129 4.191 4.320 -0.000 0.000 0.208 544 K C 2.035 178.666 176.600 0.053 0.000 1.048 544 K CA 1.725 58.045 56.287 0.055 0.000 0.932 544 K CB -0.366 32.189 32.500 0.092 0.000 0.715 544 K HN 0.279 nan 8.250 nan 0.000 0.437 545 V N -0.124 119.824 119.914 0.057 0.000 2.759 545 V HA -0.150 3.970 4.120 -0.000 0.000 0.256 545 V C 1.980 178.032 176.094 -0.070 0.000 1.080 545 V CA 2.061 64.387 62.300 0.043 0.000 1.101 545 V CB -0.510 31.346 31.823 0.055 0.000 0.698 545 V HN 0.284 nan 8.190 nan 0.000 0.477 546 S N -1.588 114.056 115.700 -0.094 0.000 2.517 546 S HA 0.043 4.513 4.470 -0.000 0.000 0.214 546 S C 1.147 175.651 174.600 -0.160 0.000 0.991 546 S CA 0.357 58.416 58.200 -0.235 0.000 0.906 546 S CB -0.177 62.809 63.200 -0.357 0.000 0.789 546 S HN 0.612 nan 8.310 nan 0.000 0.513 547 Q N -0.133 119.619 119.800 -0.081 0.000 2.461 547 Q HA -0.211 4.129 4.340 -0.000 0.000 0.273 547 Q C 0.692 176.643 176.000 -0.082 0.000 1.163 547 Q CA 0.819 56.582 55.803 -0.066 0.000 0.929 547 Q CB -2.458 26.237 28.738 -0.073 0.000 1.334 547 Q HN 0.688 nan 8.270 nan 0.000 0.499 548 L N 0.189 121.359 121.223 -0.089 0.000 2.013 548 L HA -0.280 4.060 4.340 -0.000 0.000 0.212 548 L C 2.587 179.389 176.870 -0.114 0.000 1.073 548 L CA 2.601 57.363 54.840 -0.129 0.000 0.753 548 L CB -0.169 41.801 42.059 -0.148 0.000 0.890 548 L HN 0.452 nan 8.230 nan 0.000 0.432 549 Q N -0.538 119.225 119.800 -0.061 0.000 2.050 549 Q HA -0.284 4.056 4.340 -0.000 0.000 0.202 549 Q C 1.998 177.977 176.000 -0.034 0.000 0.980 549 Q CA 2.116 57.900 55.803 -0.033 0.000 0.840 549 Q CB 0.015 28.754 28.738 0.001 0.000 0.898 549 Q HN 0.540 nan 8.270 nan 0.000 0.424 550 E N -0.093 120.087 120.200 -0.034 0.000 2.085 550 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 550 E C 2.015 178.590 176.600 -0.042 0.000 0.994 550 E CA 1.061 57.441 56.400 -0.032 0.000 0.801 550 E CB 0.012 29.693 29.700 -0.032 0.000 0.743 550 E HN 0.175 nan 8.360 nan 0.000 0.453 551 R N -0.347 120.116 120.500 -0.060 0.000 2.153 551 R HA 0.033 4.373 4.340 -0.000 0.000 0.218 551 R C 2.115 178.379 176.300 -0.061 0.000 1.072 551 R CA 1.675 57.736 56.100 -0.066 0.000 0.990 551 R CB -0.592 29.655 30.300 -0.088 0.000 0.889 551 R HN 0.439 nan 8.270 nan 0.000 0.452 552 T N -4.955 109.558 114.554 -0.068 0.000 2.959 552 T HA 0.209 4.559 4.350 -0.000 0.000 0.254 552 T C 1.277 175.961 174.700 -0.027 0.000 1.003 552 T CA 0.654 62.720 62.100 -0.057 0.000 0.950 552 T CB 0.704 69.512 68.868 -0.100 0.000 1.090 552 T HN 0.287 nan 8.240 nan 0.000 0.503 553 G N 2.331 111.118 108.800 -0.023 0.000 2.155 553 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.257 553 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.257 553 G C 0.020 174.928 174.900 0.013 0.000 0.983 553 G CA -0.179 44.918 45.100 -0.005 0.000 0.676 553 G HN 0.602 nan 8.290 nan 0.000 0.528 554 R N 0.549 121.059 120.500 0.016 0.000 2.221 554 R HA 0.460 4.800 4.340 -0.000 0.000 0.327 554 R C 1.574 177.930 176.300 0.092 0.000 1.033 554 R CA 0.379 56.522 56.100 0.071 0.000 0.887 554 R CB 0.843 31.222 30.300 0.131 0.000 1.057 554 R HN 0.411 nan 8.270 nan 0.000 0.455 555 T N -1.267 113.340 114.554 0.087 0.000 3.054 555 T HA 0.266 4.616 4.350 -0.000 0.000 0.259 555 T C 0.816 175.583 174.700 0.112 0.000 1.092 555 T CA 0.257 62.406 62.100 0.082 0.000 1.121 555 T CB 0.403 69.298 68.868 0.045 0.000 0.912 555 T HN 0.519 nan 8.240 nan 0.000 0.489 556 A N 1.897 124.790 122.820 0.121 0.000 2.539 556 A HA 0.778 5.098 4.320 -0.000 0.000 0.296 556 A C -2.951 174.621 177.584 -0.020 0.000 1.073 556 A CA -1.996 50.069 52.037 0.047 0.000 0.700 556 A CB 1.278 20.253 19.000 -0.043 0.000 1.296 556 A HN 0.115 nan 8.150 nan 0.000 0.405 557 P HA 0.300 nan 4.420 nan 0.000 0.276 557 P C 0.411 177.421 177.300 -0.483 0.000 1.252 557 P CA -0.033 62.512 63.100 -0.926 0.000 0.802 557 P CB 0.829 31.767 31.700 -1.271 0.000 1.035 558 T N -0.624 113.705 114.554 -0.375 0.000 2.851 558 T HA 0.054 4.404 4.350 -0.000 0.000 0.262 558 T C 0.835 175.397 174.700 -0.231 0.000 1.043 558 T CA 0.982 62.957 62.100 -0.208 0.000 1.140 558 T CB -0.091 68.710 68.868 -0.111 0.000 0.872 558 T HN 0.223 nan 8.240 nan 0.000 0.446 559 V N 1.394 121.143 119.914 -0.274 0.000 2.656 559 V HA 0.522 4.642 4.120 -0.000 0.000 0.307 559 V C -0.754 175.156 176.094 -0.306 0.000 1.051 559 V CA -1.023 61.133 62.300 -0.239 0.000 0.893 559 V CB 2.253 33.997 31.823 -0.132 0.000 0.999 559 V HN 0.259 nan 8.190 nan 0.000 0.426 560 I N 2.955 123.361 120.570 -0.273 0.000 2.436 560 I HA 0.561 4.731 4.170 -0.000 0.000 0.289 560 I C 0.090 176.144 176.117 -0.105 0.000 1.010 560 I CA -0.016 61.128 61.300 -0.259 0.000 1.098 560 I CB 2.324 40.124 38.000 -0.333 0.000 1.266 560 I HN 0.605 nan 8.210 nan 0.000 0.434 561 T N 0.000 114.554 114.554 -0.000 0.000 3.816 561 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 561 T CA 0.000 62.153 62.100 0.088 0.000 1.349 561 T CB 0.000 68.999 68.868 0.218 0.000 0.612 561 T HN 0.000 nan 8.240 nan 0.000 0.658