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 1k0u_1_F DATA FIRST_RESID 2 DATA SEQUENCE DKLPYKVADI GLAAWGRKAL DIAENEMPGL MRMREMYSAS KPLKGARIAG DATA SEQUENCE CLHMTVETAV LIETLVALGA EVRWSSCNIF STQDHAAAAI AKAGIPVFAW DATA SEQUENCE KGETDEEYLW CIEQTLHFKD GPLNMILDDG GDLTNLIHTK HPQLLSGIRG DATA SEQUENCE ISEETTTGVH NLYKMMANGI LKVPAINVND SVTKSKFDNL YGCRESLIDG DATA SEQUENCE IKRATDVMIA GKVAVVAGYG DVGKGCAQAL RGFGARVIIT EIDPINALQA DATA SEQUENCE AMEGYEVTTM DEACKEGNIF VTTTGCVDII LGRHFEQMKD DAIVCNIGHF DATA SEQUENCE DVEIDVKWLN ENAVEKVNIK PQVDRYLLKN GHRIILLAEG RLVNLGCAMG DATA SEQUENCE HPSFVMSNSF TNQVMAQIEL WTHPDKYPVG VHFLPKKLDE AVAEAHLGKL DATA SEQUENCE NVKLTKLTEK QAQYLGMPIN GPFKPDHYRY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.282 176.300 -0.029 0.000 2.045 2 D CA 0.000 53.961 54.000 -0.066 0.000 0.868 2 D CB 0.000 40.716 40.800 -0.140 0.000 0.688 3 K N 0.223 120.615 120.400 -0.013 0.000 2.209 3 K HA 0.502 4.821 4.320 -0.000 0.000 0.252 3 K C -0.583 176.095 176.600 0.130 0.000 1.062 3 K CA -0.484 55.842 56.287 0.066 0.000 1.003 3 K CB -0.515 32.055 32.500 0.117 0.000 1.495 3 K HN 0.315 nan 8.250 nan 0.000 0.641 4 L N 0.511 121.833 121.223 0.166 0.000 2.788 4 L HA -0.106 4.234 4.340 -0.000 0.000 0.337 4 L C -1.497 175.423 176.870 0.084 0.000 1.269 4 L CA -0.074 54.828 54.840 0.103 0.000 0.842 4 L CB -1.282 40.848 42.059 0.117 0.000 1.070 4 L HN 0.549 nan 8.230 nan 0.000 0.559 5 P HA -0.096 nan 4.420 nan 0.000 0.220 5 P C -0.308 176.936 177.300 -0.092 0.000 1.148 5 P CA 2.068 65.131 63.100 -0.062 0.000 0.803 5 P CB -0.098 31.521 31.700 -0.135 0.000 0.782 6 Y N -2.912 117.216 120.300 -0.286 0.000 3.045 6 Y HA 0.577 5.127 4.550 -0.000 0.000 0.387 6 Y C -1.870 173.837 175.900 -0.320 0.000 1.306 6 Y CA -2.167 55.474 58.100 -0.764 0.000 1.121 6 Y CB -0.041 38.117 38.460 -0.504 0.000 2.062 6 Y HN -0.161 nan 8.280 nan 0.000 0.416 7 K N 0.661 121.129 120.400 0.112 0.000 2.570 7 K HA 0.750 5.070 4.320 -0.000 0.000 0.256 7 K C -1.733 175.049 176.600 0.302 0.000 0.939 7 K CA -0.050 56.373 56.287 0.228 0.000 0.833 7 K CB 2.198 34.856 32.500 0.263 0.000 1.318 7 K HN 1.557 nan 8.250 nan 0.000 0.433 8 V N -1.622 118.420 119.914 0.214 0.000 3.080 8 V HA 0.861 4.980 4.120 -0.000 0.000 0.311 8 V C 0.701 176.815 176.094 0.034 0.000 1.389 8 V CA -0.361 62.050 62.300 0.184 0.000 1.049 8 V CB 1.031 32.929 31.823 0.125 0.000 1.078 8 V HN 0.826 nan 8.190 nan 0.000 0.468 9 A N -0.370 122.513 122.820 0.104 0.000 1.843 9 A HA 0.277 4.597 4.320 -0.000 0.000 0.213 9 A C 0.759 178.367 177.584 0.039 0.000 1.202 9 A CA 2.112 54.175 52.037 0.042 0.000 0.607 9 A CB -0.463 18.634 19.000 0.163 0.000 0.847 9 A HN 1.044 nan 8.150 nan 0.000 0.445 10 D N -1.994 118.451 120.400 0.076 0.000 2.470 10 D HA 0.297 4.937 4.640 -0.000 0.000 0.233 10 D C -0.180 176.160 176.300 0.067 0.000 1.372 10 D CA -0.500 53.543 54.000 0.072 0.000 0.994 10 D CB 1.021 41.876 40.800 0.092 0.000 1.377 10 D HN 0.018 nan 8.370 nan 0.000 0.586 11 I N 2.466 123.070 120.570 0.057 0.000 3.176 11 I HA 0.134 4.304 4.170 -0.000 0.000 0.275 11 I C 1.813 177.957 176.117 0.044 0.000 1.298 11 I CA 0.950 62.265 61.300 0.024 0.000 1.445 11 I CB 0.277 38.312 38.000 0.058 0.000 1.075 11 I HN 0.520 nan 8.210 nan 0.000 0.482 12 G N -0.314 108.527 108.800 0.069 0.000 2.920 12 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.208 12 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.208 12 G C 1.039 176.014 174.900 0.124 0.000 1.159 12 G CA -0.021 45.127 45.100 0.080 0.000 0.784 12 G HN 0.274 nan 8.290 nan 0.000 0.535 13 L N 0.604 121.914 121.223 0.145 0.000 2.607 13 L HA 0.419 4.759 4.340 -0.000 0.000 0.228 13 L C 2.564 179.546 176.870 0.187 0.000 1.123 13 L CA 0.060 55.049 54.840 0.248 0.000 0.890 13 L CB -0.110 42.111 42.059 0.271 0.000 1.103 13 L HN 0.206 nan 8.230 nan 0.000 0.468 14 A N -0.007 122.864 122.820 0.086 0.000 1.930 14 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 14 A C 2.503 180.122 177.584 0.060 0.000 1.175 14 A CA 1.545 53.593 52.037 0.019 0.000 0.627 14 A CB -0.399 18.587 19.000 -0.023 0.000 0.815 14 A HN 0.339 nan 8.150 nan 0.000 0.443 15 A N -1.367 121.520 122.820 0.112 0.000 1.902 15 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 15 A C 1.980 179.691 177.584 0.212 0.000 1.181 15 A CA 1.744 53.857 52.037 0.127 0.000 0.623 15 A CB -0.785 18.284 19.000 0.116 0.000 0.818 15 A HN 0.923 nan 8.150 nan 0.000 0.443 16 W N 0.772 122.109 121.300 0.062 0.000 2.443 16 W HA 0.095 4.755 4.660 -0.000 0.000 0.296 16 W C 2.071 178.689 176.519 0.166 0.000 1.202 16 W CA 1.113 58.516 57.345 0.098 0.000 1.312 16 W CB -0.868 28.648 29.460 0.095 0.000 1.120 16 W HN 0.199 nan 8.180 nan 0.000 0.536 17 G N 0.690 109.506 108.800 0.027 0.000 2.432 17 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.219 17 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.219 17 G C 1.551 176.341 174.900 -0.184 0.000 1.135 17 G CA 1.191 46.121 45.100 -0.284 0.000 0.767 17 G HN 0.251 nan 8.290 nan 0.000 0.550 18 R N 0.628 121.094 120.500 -0.056 0.000 2.193 18 R HA 0.171 4.510 4.340 -0.000 0.000 0.213 18 R C 2.166 178.472 176.300 0.010 0.000 1.055 18 R CA 1.127 57.203 56.100 -0.039 0.000 0.995 18 R CB -0.354 29.938 30.300 -0.013 0.000 0.893 18 R HN 0.289 nan 8.270 nan 0.000 0.459 19 K N -0.606 119.839 120.400 0.075 0.000 2.103 19 K HA 0.100 4.419 4.320 -0.000 0.000 0.204 19 K C 1.835 178.496 176.600 0.101 0.000 1.052 19 K CA 1.250 57.610 56.287 0.121 0.000 0.945 19 K CB -0.023 32.616 32.500 0.232 0.000 0.722 19 K HN 0.251 nan 8.250 nan 0.000 0.443 20 A N 0.351 123.213 122.820 0.070 0.000 1.970 20 A HA -0.054 4.266 4.320 -0.000 0.000 0.216 20 A C 1.906 179.488 177.584 -0.004 0.000 1.170 20 A CA 0.905 52.972 52.037 0.050 0.000 0.645 20 A CB -0.287 18.733 19.000 0.033 0.000 0.816 20 A HN 0.117 nan 8.150 nan 0.000 0.447 21 L N 0.038 121.225 121.223 -0.060 0.000 2.093 21 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 21 L C 1.913 178.772 176.870 -0.018 0.000 1.085 21 L CA 1.759 56.560 54.840 -0.065 0.000 0.755 21 L CB -0.495 41.502 42.059 -0.102 0.000 0.904 21 L HN 0.292 nan 8.230 nan 0.000 0.435 22 D N -0.274 120.126 120.400 0.000 0.000 2.106 22 D HA -0.215 4.424 4.640 -0.000 0.000 0.191 22 D C 2.248 178.566 176.300 0.031 0.000 0.997 22 D CA 1.682 55.692 54.000 0.017 0.000 0.834 22 D CB -0.156 40.663 40.800 0.032 0.000 0.956 22 D HN 0.295 nan 8.370 nan 0.000 0.448 23 I N 0.584 121.182 120.570 0.046 0.000 2.546 23 I HA -0.169 4.001 4.170 -0.000 0.000 0.255 23 I C 2.331 178.485 176.117 0.063 0.000 1.163 23 I CA 0.753 62.087 61.300 0.058 0.000 1.457 23 I CB -0.049 37.994 38.000 0.073 0.000 1.092 23 I HN -0.073 nan 8.210 nan 0.000 0.434 24 A N 0.308 123.163 122.820 0.058 0.000 1.929 24 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 24 A C 2.209 179.834 177.584 0.068 0.000 1.176 24 A CA 1.168 53.249 52.037 0.073 0.000 0.628 24 A CB -0.447 18.590 19.000 0.062 0.000 0.816 24 A HN 0.375 nan 8.150 nan 0.000 0.444 25 E N -0.114 120.109 120.200 0.039 0.000 2.097 25 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 25 E C 1.642 178.264 176.600 0.036 0.000 1.000 25 E CA 1.238 57.655 56.400 0.028 0.000 0.804 25 E CB -0.244 29.461 29.700 0.008 0.000 0.740 25 E HN 0.676 nan 8.360 nan 0.000 0.454 26 N N 0.210 118.936 118.700 0.044 0.000 2.515 26 N HA -0.101 4.639 4.740 -0.000 0.000 0.185 26 N C 1.059 176.619 175.510 0.083 0.000 1.109 26 N CA 0.293 53.372 53.050 0.049 0.000 0.903 26 N CB 0.330 38.844 38.487 0.045 0.000 0.969 26 N HN 0.105 nan 8.380 nan 0.000 0.450 27 E N -0.100 120.166 120.200 0.110 0.000 2.498 27 E HA 0.143 4.493 4.350 -0.000 0.000 0.203 27 E C -0.305 176.420 176.600 0.208 0.000 1.013 27 E CA 0.132 56.650 56.400 0.195 0.000 0.927 27 E CB 0.552 30.366 29.700 0.189 0.000 1.012 27 E HN 0.368 nan 8.360 nan 0.000 0.482 28 M N 0.874 120.528 119.600 0.090 0.000 2.386 28 M HA 0.243 4.723 4.480 -0.000 0.000 0.245 28 M C -2.155 174.088 176.300 -0.096 0.000 0.982 28 M CA -1.759 53.550 55.300 0.015 0.000 0.860 28 M CB 1.627 34.275 32.600 0.080 0.000 1.371 28 M HN -0.255 nan 8.290 nan 0.000 0.425 29 P HA -0.120 nan 4.420 nan 0.000 0.215 29 P C 1.547 178.633 177.300 -0.357 0.000 1.153 29 P CA 1.439 64.355 63.100 -0.307 0.000 0.853 29 P CB 0.169 31.642 31.700 -0.379 0.000 0.788 30 G N -0.081 108.353 108.800 -0.611 0.000 2.421 30 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 30 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 30 G C 1.568 176.458 174.900 -0.018 0.000 1.171 30 G CA 0.396 45.372 45.100 -0.208 0.000 0.775 30 G HN 0.201 nan 8.290 nan 0.000 0.543 31 L N -0.001 121.234 121.223 0.021 0.000 2.042 31 L HA -0.099 4.240 4.340 -0.000 0.000 0.210 31 L C 3.010 179.894 176.870 0.024 0.000 1.076 31 L CA 0.990 55.864 54.840 0.057 0.000 0.749 31 L CB -0.307 41.801 42.059 0.081 0.000 0.893 31 L HN 0.213 nan 8.230 nan 0.000 0.432 32 M N -1.278 118.316 119.600 -0.010 0.000 2.296 32 M HA -0.145 4.335 4.480 -0.000 0.000 0.265 32 M C 2.212 178.502 176.300 -0.016 0.000 1.064 32 M CA 1.272 56.563 55.300 -0.014 0.000 1.109 32 M CB -1.227 31.358 32.600 -0.026 0.000 1.396 32 M HN 0.076 nan 8.290 nan 0.000 0.430 33 R N 0.358 120.843 120.500 -0.025 0.000 2.062 33 R HA 0.051 4.391 4.340 -0.000 0.000 0.229 33 R C 2.043 178.348 176.300 0.008 0.000 1.128 33 R CA 1.223 57.308 56.100 -0.024 0.000 0.960 33 R CB -0.515 29.765 30.300 -0.032 0.000 0.855 33 R HN 0.235 nan 8.270 nan 0.000 0.432 34 M N -0.234 119.419 119.600 0.089 0.000 2.159 34 M HA -0.101 4.379 4.480 -0.000 0.000 0.263 34 M C 2.098 178.527 176.300 0.214 0.000 1.063 34 M CA 1.418 56.864 55.300 0.244 0.000 1.110 34 M CB -0.711 32.030 32.600 0.236 0.000 1.374 34 M HN 0.092 nan 8.290 nan 0.000 0.411 35 R N 0.111 120.669 120.500 0.096 0.000 2.092 35 R HA -0.111 4.228 4.340 -0.000 0.000 0.231 35 R C 2.097 178.404 176.300 0.012 0.000 1.119 35 R CA 1.164 57.300 56.100 0.060 0.000 0.970 35 R CB 0.060 30.375 30.300 0.024 0.000 0.864 35 R HN 0.467 nan 8.270 nan 0.000 0.440 36 E N 0.243 120.426 120.200 -0.028 0.000 2.047 36 E HA -0.198 4.152 4.350 -0.000 0.000 0.191 36 E C 1.972 178.484 176.600 -0.147 0.000 0.987 36 E CA 1.671 58.029 56.400 -0.070 0.000 0.799 36 E CB -0.007 29.652 29.700 -0.069 0.000 0.752 36 E HN 0.428 nan 8.360 nan 0.000 0.449 37 M N -1.275 118.147 119.600 -0.296 0.000 2.506 37 M HA 0.029 4.509 4.480 -0.000 0.000 0.260 37 M C 0.522 176.384 176.300 -0.729 0.000 1.104 37 M CA 1.227 56.184 55.300 -0.572 0.000 1.112 37 M CB 0.065 32.169 32.600 -0.826 0.000 1.401 37 M HN 0.011 nan 8.290 nan 0.000 0.473 38 Y N -0.200 120.111 120.300 0.019 0.000 2.588 38 Y HA 0.415 4.964 4.550 -0.001 0.000 0.247 38 Y C 2.218 178.129 175.900 0.019 0.000 1.157 38 Y CA -0.440 57.674 58.100 0.024 0.000 1.215 38 Y CB -0.066 38.414 38.460 0.033 0.000 1.245 38 Y HN 0.140 nan 8.280 nan 0.000 0.534 39 S N 0.478 116.228 115.700 0.084 0.000 2.383 39 S HA -0.215 4.255 4.470 -0.000 0.000 0.229 39 S C 2.251 176.884 174.600 0.055 0.000 1.030 39 S CA 1.626 59.861 58.200 0.059 0.000 1.002 39 S CB -0.149 63.064 63.200 0.021 0.000 0.829 39 S HN 0.586 nan 8.310 nan 0.000 0.467 40 A N 0.915 123.763 122.820 0.046 0.000 1.871 40 A HA 0.057 4.376 4.320 -0.000 0.000 0.211 40 A C 2.240 179.863 177.584 0.065 0.000 1.207 40 A CA 1.324 53.386 52.037 0.042 0.000 0.620 40 A CB -0.851 18.163 19.000 0.023 0.000 0.860 40 A HN 0.502 nan 8.150 nan 0.000 0.450 41 S N 0.682 116.438 115.700 0.094 0.000 2.400 41 S HA -0.127 4.343 4.470 -0.000 0.000 0.232 41 S C 0.568 175.238 174.600 0.117 0.000 1.025 41 S CA 1.057 59.328 58.200 0.118 0.000 0.993 41 S CB -0.467 62.847 63.200 0.190 0.000 0.808 41 S HN 0.561 nan 8.310 nan 0.000 0.478 42 K N 0.424 120.901 120.400 0.129 0.000 3.451 42 K HA -0.131 4.189 4.320 -0.000 0.000 0.273 42 K C -2.229 174.434 176.600 0.104 0.000 0.944 42 K CA 0.711 57.059 56.287 0.102 0.000 0.734 42 K CB -1.620 30.925 32.500 0.073 0.000 1.437 42 K HN 0.406 nan 8.250 nan 0.000 0.454 43 P HA -0.173 nan 4.420 nan 0.000 0.220 43 P C 0.992 178.396 177.300 0.173 0.000 1.144 43 P CA 1.131 64.284 63.100 0.089 0.000 0.800 43 P CB 0.150 31.834 31.700 -0.027 0.000 0.772 44 L N -1.168 120.122 121.223 0.112 0.000 2.607 44 L HA 0.137 4.477 4.340 -0.000 0.000 0.228 44 L C 1.121 178.013 176.870 0.037 0.000 1.123 44 L CA -0.497 54.375 54.840 0.053 0.000 0.890 44 L CB -0.481 41.534 42.059 -0.074 0.000 1.103 44 L HN -0.119 nan 8.230 nan 0.000 0.468 45 K N 1.283 121.758 120.400 0.125 0.000 2.491 45 K HA 0.166 4.485 4.320 -0.000 0.000 0.279 45 K C 1.082 177.801 176.600 0.198 0.000 1.026 45 K CA 1.216 57.568 56.287 0.108 0.000 1.070 45 K CB 0.305 32.866 32.500 0.102 0.000 0.887 45 K HN 0.193 nan 8.250 nan 0.000 0.481 46 G N 1.887 110.738 108.800 0.084 0.000 2.234 46 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.235 46 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.235 46 G C 0.206 175.059 174.900 -0.079 0.000 0.997 46 G CA -0.006 45.170 45.100 0.127 0.000 0.623 46 G HN 1.116 nan 8.290 nan 0.000 0.514 47 A N 0.811 123.359 122.820 -0.453 0.000 2.404 47 A HA 0.686 5.005 4.320 -0.000 0.000 0.273 47 A C 0.693 177.877 177.584 -0.666 0.000 1.144 47 A CA 0.002 51.389 52.037 -1.083 0.000 0.806 47 A CB 0.130 18.245 19.000 -1.475 0.000 1.080 47 A HN 0.439 nan 8.150 nan 0.000 0.509 48 R N 3.382 123.432 120.500 -0.751 0.000 2.666 48 R HA 0.314 4.653 4.340 -0.000 0.000 0.275 48 R C -0.843 175.066 176.300 -0.653 0.000 1.266 48 R CA -0.091 55.383 56.100 -1.043 0.000 1.401 48 R CB 0.397 29.635 30.300 -1.770 0.000 1.145 48 R HN 0.702 nan 8.270 nan 0.000 0.581 49 I N 1.588 122.027 120.570 -0.219 0.000 2.474 49 I HA 0.228 4.398 4.170 -0.000 0.000 0.287 49 I C 0.550 176.796 176.117 0.216 0.000 1.048 49 I CA -0.308 60.974 61.300 -0.030 0.000 1.383 49 I CB 1.317 39.293 38.000 -0.039 0.000 1.412 49 I HN 0.429 nan 8.210 nan 0.000 0.531 50 A N 4.948 127.793 122.820 0.042 0.000 2.287 50 A HA 0.737 5.056 4.320 -0.000 0.000 0.317 50 A C 0.063 177.439 177.584 -0.347 0.000 1.220 50 A CA -0.422 51.559 52.037 -0.093 0.000 0.835 50 A CB 0.933 19.854 19.000 -0.132 0.000 1.180 50 A HN 0.861 nan 8.150 nan 0.000 0.500 51 G N -0.480 107.900 108.800 -0.700 0.000 2.417 51 G HA2 0.489 4.449 3.960 -0.000 0.000 0.334 51 G HA3 0.489 4.449 3.960 -0.000 0.000 0.334 51 G C -0.753 173.276 174.900 -1.452 0.000 1.150 51 G CA -0.392 43.758 45.100 -1.582 0.000 0.923 51 G HN 1.087 nan 8.290 nan 0.000 0.485 52 C N 3.002 121.673 119.300 -1.049 0.000 3.418 52 C HA 0.683 5.143 4.460 -0.000 0.000 0.238 52 C C -0.602 174.166 174.990 -0.369 0.000 1.205 52 C CA -0.587 58.058 59.018 -0.622 0.000 1.376 52 C CB -1.906 25.601 27.740 -0.389 0.000 1.826 52 C HN 0.602 nan 8.230 nan 0.000 0.513 53 L N 3.695 124.790 121.223 -0.213 0.000 2.371 53 L HA 0.577 4.916 4.340 -0.000 0.000 0.262 53 L C -0.082 176.882 176.870 0.158 0.000 1.006 53 L CA -0.430 54.453 54.840 0.072 0.000 0.818 53 L CB 1.554 43.883 42.059 0.450 0.000 1.354 53 L HN 0.470 nan 8.230 nan 0.000 0.415 54 H N 3.546 122.762 119.070 0.243 0.000 3.217 54 H HA -0.039 4.517 4.556 -0.000 0.000 0.272 54 H C 0.094 175.560 175.328 0.231 0.000 0.929 54 H CA -0.143 56.028 56.048 0.204 0.000 1.425 54 H CB 0.275 30.126 29.762 0.149 0.000 1.505 54 H HN 0.403 nan 8.280 nan 0.000 0.542 55 M N 4.702 124.488 119.600 0.310 0.000 2.842 55 M HA -0.018 4.462 4.480 -0.000 0.000 0.314 55 M C -0.002 176.375 176.300 0.128 0.000 1.646 55 M CA -0.027 55.406 55.300 0.220 0.000 1.484 55 M CB -0.714 32.017 32.600 0.219 0.000 1.727 55 M HN 0.649 nan 8.290 nan 0.000 0.468 56 T N 0.301 114.912 114.554 0.096 0.000 2.905 56 T HA 0.530 4.880 4.350 -0.000 0.000 0.283 56 T C 0.999 175.676 174.700 -0.038 0.000 1.031 56 T CA -0.961 61.178 62.100 0.065 0.000 1.002 56 T CB 0.900 69.851 68.868 0.137 0.000 1.200 56 T HN 0.210 nan 8.240 nan 0.000 0.560 57 V N 1.082 120.966 119.914 -0.050 0.000 2.407 57 V HA -0.119 4.001 4.120 -0.000 0.000 0.248 57 V C 2.637 178.702 176.094 -0.047 0.000 1.055 57 V CA 2.098 64.325 62.300 -0.122 0.000 1.049 57 V CB -1.141 30.630 31.823 -0.086 0.000 0.662 57 V HN 0.864 nan 8.190 nan 0.000 0.455 58 E N 0.254 120.499 120.200 0.074 0.000 2.028 58 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 58 E C 2.308 178.973 176.600 0.108 0.000 0.988 58 E CA 1.810 58.335 56.400 0.209 0.000 0.799 58 E CB -0.875 29.052 29.700 0.378 0.000 0.755 58 E HN 0.517 nan 8.360 nan 0.000 0.447 59 T N 0.798 115.373 114.554 0.035 0.000 2.778 59 T HA -0.206 4.144 4.350 -0.000 0.000 0.269 59 T C 1.891 176.253 174.700 -0.563 0.000 1.050 59 T CA 1.268 63.108 62.100 -0.433 0.000 1.137 59 T CB -0.394 68.371 68.868 -0.171 0.000 0.860 59 T HN 0.296 nan 8.240 nan 0.000 0.468 60 A N 0.891 123.499 122.820 -0.354 0.000 1.902 60 A HA -0.040 4.280 4.320 -0.000 0.000 0.217 60 A C 2.560 179.951 177.584 -0.323 0.000 1.181 60 A CA 1.277 53.096 52.037 -0.363 0.000 0.623 60 A CB -0.882 17.954 19.000 -0.273 0.000 0.818 60 A HN 0.386 nan 8.150 nan 0.000 0.443 61 V N -0.226 119.549 119.914 -0.231 0.000 2.515 61 V HA -0.195 3.925 4.120 -0.000 0.000 0.250 61 V C 2.442 178.390 176.094 -0.243 0.000 1.058 61 V CA 1.747 63.948 62.300 -0.165 0.000 1.064 61 V CB -0.723 31.073 31.823 -0.045 0.000 0.675 61 V HN 0.615 nan 8.190 nan 0.000 0.461 62 L N 0.310 121.268 121.223 -0.441 0.000 1.976 62 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 62 L C 2.220 178.793 176.870 -0.495 0.000 1.071 62 L CA 1.983 56.471 54.840 -0.587 0.000 0.746 62 L CB -0.543 40.779 42.059 -1.228 0.000 0.890 62 L HN 0.204 nan 8.230 nan 0.000 0.432 63 I N -0.249 119.917 120.570 -0.673 0.000 2.118 63 I HA -0.340 3.830 4.170 -0.000 0.000 0.241 63 I C 2.453 178.383 176.117 -0.311 0.000 1.070 63 I CA 1.882 62.823 61.300 -0.597 0.000 1.327 63 I CB -0.594 36.951 38.000 -0.759 0.000 1.034 63 I HN 0.398 nan 8.210 nan 0.000 0.405 64 E N 0.066 120.105 120.200 -0.269 0.000 2.265 64 E HA -0.171 4.179 4.350 -0.000 0.000 0.196 64 E C 2.066 178.597 176.600 -0.114 0.000 0.996 64 E CA 1.536 57.839 56.400 -0.162 0.000 0.832 64 E CB -0.051 29.563 29.700 -0.144 0.000 0.756 64 E HN 0.543 nan 8.360 nan 0.000 0.491 65 T N 0.992 115.470 114.554 -0.126 0.000 2.851 65 T HA -0.017 4.333 4.350 -0.000 0.000 0.262 65 T C 1.934 176.604 174.700 -0.050 0.000 1.043 65 T CA 0.354 62.414 62.100 -0.067 0.000 1.140 65 T CB -0.048 68.789 68.868 -0.051 0.000 0.872 65 T HN 0.089 nan 8.240 nan 0.000 0.446 66 L N 0.917 122.091 121.223 -0.083 0.000 2.127 66 L HA -0.107 4.232 4.340 -0.000 0.000 0.211 66 L C 2.554 179.398 176.870 -0.042 0.000 1.089 66 L CA 0.821 55.626 54.840 -0.057 0.000 0.757 66 L CB -0.541 41.481 42.059 -0.062 0.000 0.899 66 L HN 0.153 nan 8.230 nan 0.000 0.434 67 V N -0.243 119.642 119.914 -0.048 0.000 2.270 67 V HA -0.279 3.841 4.120 -0.000 0.000 0.245 67 V C 2.722 178.810 176.094 -0.011 0.000 1.043 67 V CA 1.711 63.994 62.300 -0.027 0.000 1.014 67 V CB -0.821 30.981 31.823 -0.034 0.000 0.645 67 V HN 0.496 nan 8.190 nan 0.000 0.447 68 A N -0.120 122.694 122.820 -0.010 0.000 1.997 68 A HA -0.203 4.117 4.320 -0.000 0.000 0.221 68 A C 1.758 179.361 177.584 0.032 0.000 1.172 68 A CA 1.793 53.836 52.037 0.010 0.000 0.645 68 A CB -0.541 18.466 19.000 0.011 0.000 0.813 68 A HN 0.442 nan 8.150 nan 0.000 0.454 69 L N -1.034 120.210 121.223 0.035 0.000 2.645 69 L HA 0.281 4.620 4.340 -0.000 0.000 0.234 69 L C 1.773 178.666 176.870 0.038 0.000 1.165 69 L CA 0.883 55.757 54.840 0.057 0.000 0.944 69 L CB -1.069 41.021 42.059 0.052 0.000 1.149 69 L HN 0.642 nan 8.230 nan 0.000 0.446 70 G N -1.228 107.586 108.800 0.024 0.000 2.225 70 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.254 70 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.254 70 G C 0.717 175.608 174.900 -0.016 0.000 0.988 70 G CA 0.212 45.323 45.100 0.019 0.000 0.625 70 G HN 0.694 nan 8.290 nan 0.000 0.527 71 A N -0.001 122.791 122.820 -0.046 0.000 2.406 71 A HA 0.585 4.904 4.320 -0.000 0.000 0.243 71 A C 0.359 177.907 177.584 -0.060 0.000 1.082 71 A CA 0.752 52.727 52.037 -0.104 0.000 0.786 71 A CB 0.340 19.271 19.000 -0.114 0.000 1.029 71 A HN 0.511 nan 8.150 nan 0.000 0.495 72 E N 0.199 120.346 120.200 -0.088 0.000 2.158 72 E HA 0.534 4.884 4.350 -0.000 0.000 0.271 72 E C -1.356 175.349 176.600 0.176 0.000 0.911 72 E CA -0.479 55.935 56.400 0.023 0.000 0.767 72 E CB 1.428 31.080 29.700 -0.081 0.000 1.120 72 E HN 0.466 nan 8.360 nan 0.000 0.405 73 V N 3.581 123.654 119.914 0.265 0.000 2.769 73 V HA 0.597 4.717 4.120 -0.000 0.000 0.312 73 V C -0.214 176.044 176.094 0.274 0.000 1.061 73 V CA -1.002 61.490 62.300 0.320 0.000 0.931 73 V CB 1.991 33.948 31.823 0.223 0.000 1.010 73 V HN 0.619 nan 8.190 nan 0.000 0.433 74 R N 2.397 123.018 120.500 0.201 0.000 2.500 74 R HA 0.327 4.667 4.340 -0.000 0.000 0.299 74 R C -1.441 174.950 176.300 0.153 0.000 1.038 74 R CA -0.326 55.779 56.100 0.008 0.000 0.903 74 R CB 2.082 32.051 30.300 -0.552 0.000 1.177 74 R HN 0.840 nan 8.270 nan 0.000 0.455 75 W N 1.474 122.794 121.300 0.034 0.000 2.481 75 W HA 0.503 5.162 4.660 -0.000 0.000 0.369 75 W C -0.073 176.489 176.519 0.072 0.000 1.235 75 W CA -0.115 57.241 57.345 0.019 0.000 1.344 75 W CB 2.166 31.624 29.460 -0.004 0.000 1.360 75 W HN 0.533 nan 8.180 nan 0.000 0.658 76 S N 0.980 116.569 115.700 -0.184 0.000 2.597 76 S HA 0.244 4.714 4.470 -0.000 0.000 0.274 76 S C -1.445 173.068 174.600 -0.145 0.000 1.132 76 S CA -0.673 57.475 58.200 -0.088 0.000 0.835 76 S CB 1.191 64.239 63.200 -0.255 0.000 1.092 76 S HN 0.393 nan 8.310 nan 0.000 0.457 77 S N 0.190 115.888 115.700 -0.004 0.000 2.616 77 S HA 0.495 4.965 4.470 -0.000 0.000 0.277 77 S C 1.091 175.724 174.600 0.055 0.000 1.234 77 S CA -0.226 58.009 58.200 0.057 0.000 1.028 77 S CB 0.307 63.589 63.200 0.138 0.000 0.988 77 S HN 1.518 nan 8.310 nan 0.000 0.522 78 C N 3.011 122.347 119.300 0.059 0.000 2.688 78 C HA 0.559 5.019 4.460 -0.000 0.000 0.297 78 C C 0.342 175.467 174.990 0.225 0.000 1.308 78 C CA -0.976 58.174 59.018 0.220 0.000 1.726 78 C CB -2.051 25.670 27.740 -0.032 0.000 1.982 78 C HN 0.699 nan 8.230 nan 0.000 0.604 79 N N 0.959 119.788 118.700 0.215 0.000 2.431 79 N HA 0.271 5.011 4.740 -0.000 0.000 0.275 79 N C 0.338 175.798 175.510 -0.083 0.000 1.091 79 N CA -0.343 52.699 53.050 -0.014 0.000 0.922 79 N CB 1.573 40.170 38.487 0.182 0.000 1.666 79 N HN 0.410 nan 8.380 nan 0.000 0.484 80 I N -0.840 119.496 120.570 -0.389 0.000 3.334 80 I HA 0.099 4.269 4.170 -0.000 0.000 0.282 80 I C -0.147 175.636 176.117 -0.557 0.000 1.313 80 I CA 0.941 61.912 61.300 -0.548 0.000 1.396 80 I CB -0.273 37.245 38.000 -0.804 0.000 1.054 80 I HN 0.197 nan 8.210 nan 0.000 0.495 81 F N 0.599 120.550 119.950 0.001 0.000 2.880 81 F HA 0.170 4.697 4.527 -0.000 0.000 0.346 81 F C 2.449 178.284 175.800 0.059 0.000 1.054 81 F CA 0.091 58.108 58.000 0.028 0.000 1.151 81 F CB -0.364 38.649 39.000 0.022 0.000 1.066 81 F HN 0.062 nan 8.300 nan 0.000 0.566 82 S N -1.117 114.728 115.700 0.242 0.000 2.453 82 S HA -0.039 4.430 4.470 -0.000 0.000 0.231 82 S C 0.970 175.690 174.600 0.200 0.000 1.005 82 S CA 0.437 58.762 58.200 0.207 0.000 0.949 82 S CB -1.204 62.178 63.200 0.302 0.000 0.774 82 S HN 0.167 nan 8.310 nan 0.000 0.510 83 T N 2.820 117.489 114.554 0.192 0.000 2.934 83 T HA 0.115 4.465 4.350 -0.000 0.000 0.306 83 T C -0.204 174.596 174.700 0.166 0.000 1.042 83 T CA 0.214 62.418 62.100 0.174 0.000 1.145 83 T CB 0.423 69.385 68.868 0.157 0.000 0.982 83 T HN 0.366 nan 8.240 nan 0.000 0.544 84 Q N 1.956 121.837 119.800 0.136 0.000 2.509 84 Q HA 0.135 4.474 4.340 -0.000 0.000 0.236 84 Q C 0.505 176.585 176.000 0.133 0.000 1.073 84 Q CA -0.508 55.385 55.803 0.149 0.000 0.867 84 Q CB 0.678 29.487 28.738 0.119 0.000 1.181 84 Q HN 0.543 nan 8.270 nan 0.000 0.526 85 D N 1.142 121.650 120.400 0.179 0.000 2.191 85 D HA -0.264 4.376 4.640 -0.000 0.000 0.195 85 D C 1.595 177.952 176.300 0.096 0.000 1.003 85 D CA 1.631 55.726 54.000 0.160 0.000 0.867 85 D CB 0.181 41.098 40.800 0.195 0.000 0.926 85 D HN 0.696 nan 8.370 nan 0.000 0.450 86 H N -0.126 118.850 119.070 -0.156 0.000 2.415 86 H HA 0.269 4.825 4.556 -0.000 0.000 0.297 86 H C 1.934 177.109 175.328 -0.255 0.000 1.048 86 H CA 1.238 57.131 56.048 -0.258 0.000 1.365 86 H CB -0.653 28.698 29.762 -0.685 0.000 1.421 86 H HN 0.057 nan 8.280 nan 0.000 0.533 87 A N 2.079 124.298 122.820 -1.002 0.000 1.858 87 A HA 0.026 4.346 4.320 -0.000 0.000 0.216 87 A C 2.802 180.170 177.584 -0.361 0.000 1.190 87 A CA 2.176 53.767 52.037 -0.743 0.000 0.617 87 A CB -1.238 17.420 19.000 -0.571 0.000 0.827 87 A HN 0.599 nan 8.150 nan 0.000 0.443 88 A N -0.204 122.482 122.820 -0.222 0.000 1.940 88 A HA 0.106 4.426 4.320 -0.000 0.000 0.219 88 A C 2.437 179.913 177.584 -0.180 0.000 1.176 88 A CA 2.180 54.135 52.037 -0.137 0.000 0.631 88 A CB -0.915 18.076 19.000 -0.015 0.000 0.814 88 A HN 1.108 nan 8.150 nan 0.000 0.446 89 A N -0.466 122.254 122.820 -0.168 0.000 2.015 89 A HA 0.260 4.580 4.320 -0.000 0.000 0.219 89 A C 2.393 179.861 177.584 -0.192 0.000 1.163 89 A CA 1.690 53.623 52.037 -0.173 0.000 0.646 89 A CB -0.737 18.219 19.000 -0.073 0.000 0.806 89 A HN 1.002 nan 8.150 nan 0.000 0.448 90 A N -0.317 122.383 122.820 -0.199 0.000 1.968 90 A HA 0.055 4.375 4.320 -0.000 0.000 0.217 90 A C 1.923 179.400 177.584 -0.177 0.000 1.169 90 A CA 1.365 53.298 52.037 -0.173 0.000 0.638 90 A CB -0.315 18.568 19.000 -0.195 0.000 0.812 90 A HN 0.382 nan 8.150 nan 0.000 0.446 91 I N -0.257 120.187 120.570 -0.210 0.000 2.277 91 I HA -0.091 4.079 4.170 -0.000 0.000 0.243 91 I C 2.929 178.919 176.117 -0.211 0.000 1.094 91 I CA 1.148 62.328 61.300 -0.201 0.000 1.393 91 I CB -1.651 36.218 38.000 -0.220 0.000 1.078 91 I HN 0.323 nan 8.210 nan 0.000 0.417 92 A N 1.100 123.730 122.820 -0.316 0.000 1.851 92 A HA -0.291 4.028 4.320 -0.000 0.000 0.216 92 A C 2.344 179.703 177.584 -0.376 0.000 1.195 92 A CA 2.410 54.142 52.037 -0.510 0.000 0.622 92 A CB -0.719 17.603 19.000 -1.131 0.000 0.831 92 A HN 0.328 nan 8.150 nan 0.000 0.444 93 K N 0.161 120.366 120.400 -0.324 0.000 2.281 93 K HA -0.020 4.299 4.320 -0.000 0.000 0.203 93 K C 1.635 178.190 176.600 -0.075 0.000 1.046 93 K CA 1.485 57.685 56.287 -0.143 0.000 0.938 93 K CB -0.425 32.012 32.500 -0.105 0.000 0.737 93 K HN 0.368 nan 8.250 nan 0.000 0.458 94 A N -0.747 122.014 122.820 -0.098 0.000 2.167 94 A HA 0.242 4.561 4.320 -0.000 0.000 0.214 94 A C 1.576 179.141 177.584 -0.033 0.000 1.151 94 A CA 0.917 52.917 52.037 -0.062 0.000 0.735 94 A CB -0.458 18.494 19.000 -0.081 0.000 0.802 94 A HN 0.562 nan 8.150 nan 0.000 0.467 95 G N -1.088 107.698 108.800 -0.024 0.000 2.201 95 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.212 95 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.212 95 G C 0.110 175.028 174.900 0.029 0.000 0.994 95 G CA -0.053 45.061 45.100 0.022 0.000 0.644 95 G HN 0.566 nan 8.290 nan 0.000 0.508 96 I N 1.464 122.028 120.570 -0.010 0.000 2.337 96 I HA 0.289 4.459 4.170 -0.000 0.000 0.291 96 I C -2.205 173.928 176.117 0.025 0.000 1.046 96 I CA -2.088 59.219 61.300 0.011 0.000 1.324 96 I CB 0.871 38.855 38.000 -0.027 0.000 1.409 96 I HN -0.172 nan 8.210 nan 0.000 0.494 97 P HA -0.002 nan 4.420 nan 0.000 0.257 97 P C -0.321 177.049 177.300 0.117 0.000 1.227 97 P CA 0.291 63.450 63.100 0.099 0.000 0.981 97 P CB 0.245 32.097 31.700 0.253 0.000 1.044 98 V N 5.379 125.218 119.914 -0.125 0.000 2.459 98 V HA 0.548 4.668 4.120 -0.000 0.000 0.295 98 V C -1.139 174.827 176.094 -0.212 0.000 1.029 98 V CA -0.776 61.541 62.300 0.027 0.000 0.874 98 V CB 0.553 32.384 31.823 0.013 0.000 0.985 98 V HN 0.222 nan 8.190 nan 0.000 0.438 99 F N 6.535 126.608 119.950 0.205 0.000 2.453 99 F HA 0.848 5.375 4.527 -0.000 0.000 0.358 99 F C 0.327 176.305 175.800 0.296 0.000 1.129 99 F CA -0.048 58.127 58.000 0.293 0.000 1.200 99 F CB 1.323 40.434 39.000 0.184 0.000 1.431 99 F HN 0.766 nan 8.300 nan 0.000 0.503 100 A N 2.395 125.478 122.820 0.439 0.000 2.589 100 A HA 0.824 5.143 4.320 -0.000 0.000 0.296 100 A C -2.190 175.664 177.584 0.451 0.000 1.062 100 A CA -0.748 51.489 52.037 0.334 0.000 0.686 100 A CB 1.275 20.415 19.000 0.233 0.000 1.282 100 A HN 0.724 nan 8.150 nan 0.000 0.404 101 W N 1.080 122.481 121.300 0.168 0.000 3.571 101 W HA 0.649 5.308 4.660 -0.001 0.000 0.294 101 W C -0.873 175.739 176.519 0.156 0.000 1.257 101 W CA -0.877 56.554 57.345 0.143 0.000 1.206 101 W CB 0.819 30.356 29.460 0.128 0.000 1.325 101 W HN 0.837 nan 8.180 nan 0.000 0.546 102 K N 3.037 123.623 120.400 0.310 0.000 2.430 102 K HA 0.425 4.745 4.320 -0.000 0.000 0.280 102 K C 0.832 177.614 176.600 0.303 0.000 1.063 102 K CA 1.515 57.952 56.287 0.250 0.000 1.071 102 K CB -0.169 32.491 32.500 0.267 0.000 0.899 102 K HN 1.620 nan 8.250 nan 0.000 0.473 103 G N 3.065 111.981 108.800 0.193 0.000 2.526 103 G HA2 -0.191 3.768 3.960 -0.000 0.000 0.225 103 G HA3 -0.191 3.768 3.960 -0.000 0.000 0.225 103 G C -0.661 174.255 174.900 0.027 0.000 1.120 103 G CA -0.238 45.017 45.100 0.259 0.000 0.904 103 G HN 0.657 nan 8.290 nan 0.000 0.498 104 E N 0.228 120.173 120.200 -0.424 0.000 2.312 104 E HA 0.668 5.018 4.350 -0.000 0.000 0.259 104 E C 1.053 177.535 176.600 -0.197 0.000 1.122 104 E CA 0.079 56.157 56.400 -0.537 0.000 0.922 104 E CB 0.914 30.054 29.700 -0.933 0.000 1.109 104 E HN 0.450 nan 8.360 nan 0.000 0.442 105 T N -1.886 112.647 114.554 -0.035 0.000 2.952 105 T HA 0.178 4.527 4.350 -0.000 0.000 0.286 105 T C 0.456 175.162 174.700 0.010 0.000 1.024 105 T CA -0.848 61.255 62.100 0.005 0.000 1.029 105 T CB 1.116 70.035 68.868 0.085 0.000 1.094 105 T HN 0.181 nan 8.240 nan 0.000 0.515 106 D N 0.500 120.900 120.400 0.000 0.000 2.172 106 D HA -0.100 4.540 4.640 -0.000 0.000 0.196 106 D C 1.818 178.181 176.300 0.106 0.000 0.999 106 D CA 1.458 55.475 54.000 0.027 0.000 0.856 106 D CB -0.055 40.749 40.800 0.007 0.000 0.934 106 D HN 0.697 nan 8.370 nan 0.000 0.453 107 E N 0.407 120.668 120.200 0.100 0.000 2.072 107 E HA -0.074 4.276 4.350 -0.000 0.000 0.190 107 E C 2.016 178.730 176.600 0.190 0.000 0.982 107 E CA 0.703 57.180 56.400 0.128 0.000 0.803 107 E CB -0.100 29.659 29.700 0.099 0.000 0.755 107 E HN 0.380 nan 8.360 nan 0.000 0.453 108 E N -0.645 119.665 120.200 0.183 0.000 2.150 108 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 108 E C 1.625 178.352 176.600 0.212 0.000 0.985 108 E CA 0.621 57.169 56.400 0.247 0.000 0.814 108 E CB -0.147 29.710 29.700 0.261 0.000 0.752 108 E HN 0.259 nan 8.360 nan 0.000 0.466 109 Y N 1.495 121.781 120.300 -0.022 0.000 2.070 109 Y HA -0.259 4.291 4.550 -0.000 0.000 0.280 109 Y C 2.114 178.021 175.900 0.011 0.000 1.148 109 Y CA 1.400 59.458 58.100 -0.069 0.000 1.125 109 Y CB -0.389 38.010 38.460 -0.102 0.000 0.975 109 Y HN 0.035 nan 8.280 nan 0.000 0.492 110 L N -0.630 120.622 121.223 0.048 0.000 2.042 110 L HA -0.260 4.080 4.340 -0.000 0.000 0.210 110 L C 2.281 179.127 176.870 -0.040 0.000 1.076 110 L CA 2.444 57.253 54.840 -0.052 0.000 0.749 110 L CB -1.181 40.921 42.059 0.071 0.000 0.893 110 L HN 0.664 nan 8.230 nan 0.000 0.432 111 W N 0.304 121.571 121.300 -0.054 0.000 2.342 111 W HA -0.265 4.395 4.660 -0.000 0.000 0.297 111 W C 2.681 179.156 176.519 -0.073 0.000 1.213 111 W CA 2.049 59.378 57.345 -0.026 0.000 1.251 111 W CB -0.421 29.078 29.460 0.067 0.000 1.136 111 W HN 0.197 nan 8.180 nan 0.000 0.526 112 C N 0.120 119.524 119.300 0.174 0.000 2.435 112 C HA -0.148 4.312 4.460 -0.000 0.000 0.279 112 C C 2.666 177.444 174.990 -0.354 0.000 1.321 112 C CA 0.993 60.022 59.018 0.018 0.000 1.752 112 C CB -1.387 26.456 27.740 0.171 0.000 1.959 112 C HN 0.354 nan 8.230 nan 0.000 0.500 113 I N 0.936 121.265 120.570 -0.403 0.000 2.094 113 I HA -0.174 3.995 4.170 -0.000 0.000 0.234 113 I C 2.400 178.219 176.117 -0.497 0.000 1.063 113 I CA 1.568 62.595 61.300 -0.456 0.000 1.328 113 I CB -1.061 36.671 38.000 -0.446 0.000 1.058 113 I HN 0.384 nan 8.210 nan 0.000 0.400 114 E N 0.652 120.576 120.200 -0.461 0.000 2.393 114 E HA -0.254 4.096 4.350 -0.000 0.000 0.201 114 E C 1.626 177.873 176.600 -0.587 0.000 1.025 114 E CA 0.694 56.819 56.400 -0.459 0.000 0.856 114 E CB -0.179 29.325 29.700 -0.327 0.000 0.771 114 E HN 0.436 nan 8.360 nan 0.000 0.526 115 Q N -0.279 119.005 119.800 -0.860 0.000 2.415 115 Q HA -0.021 4.318 4.340 -0.000 0.000 0.206 115 Q C 1.705 177.023 176.000 -1.137 0.000 0.946 115 Q CA 0.936 56.011 55.803 -1.214 0.000 0.951 115 Q CB 0.285 27.873 28.738 -1.916 0.000 1.026 115 Q HN 0.422 nan 8.270 nan 0.000 0.510 116 T N -4.812 109.295 114.554 -0.745 0.000 2.954 116 T HA 0.166 4.516 4.350 -0.000 0.000 0.252 116 T C 1.674 176.080 174.700 -0.490 0.000 0.983 116 T CA -0.150 61.588 62.100 -0.604 0.000 0.941 116 T CB -0.107 68.484 68.868 -0.462 0.000 1.141 116 T HN 0.141 nan 8.240 nan 0.000 0.500 117 L N 0.550 121.519 121.223 -0.423 0.000 2.127 117 L HA 0.064 4.404 4.340 -0.000 0.000 0.211 117 L C 1.066 177.667 176.870 -0.449 0.000 1.089 117 L CA 1.035 55.629 54.840 -0.410 0.000 0.757 117 L CB -0.775 40.989 42.059 -0.492 0.000 0.899 117 L HN 0.416 nan 8.230 nan 0.000 0.434 118 H N -1.085 117.879 119.070 -0.178 0.000 2.466 118 H HA 0.406 4.962 4.556 -0.001 0.000 0.338 118 H C -0.715 174.561 175.328 -0.087 0.000 1.091 118 H CA -0.636 55.390 56.048 -0.036 0.000 1.207 118 H CB 1.610 31.333 29.762 -0.064 0.000 1.466 118 H HN -0.167 nan 8.280 nan 0.000 0.493 119 F N 1.558 121.523 119.950 0.025 0.000 2.535 119 F HA 0.172 4.699 4.527 -0.000 0.000 0.367 119 F C 1.976 177.799 175.800 0.038 0.000 1.096 119 F CA -0.935 57.076 58.000 0.019 0.000 1.088 119 F CB 0.767 39.763 39.000 -0.007 0.000 1.387 119 F HN 0.370 nan 8.300 nan 0.000 0.494 120 K N 0.208 120.766 120.400 0.264 0.000 2.001 120 K HA -0.133 4.187 4.320 -0.000 0.000 0.208 120 K C 0.525 177.203 176.600 0.130 0.000 1.048 120 K CA 2.021 58.399 56.287 0.152 0.000 0.932 120 K CB -0.957 31.620 32.500 0.128 0.000 0.715 120 K HN 0.634 nan 8.250 nan 0.000 0.437 121 D N 0.385 120.862 120.400 0.129 0.000 2.319 121 D HA 0.288 4.928 4.640 -0.000 0.000 0.230 121 D C 0.713 177.053 176.300 0.067 0.000 1.094 121 D CA 0.251 54.296 54.000 0.075 0.000 0.856 121 D CB 0.416 41.240 40.800 0.040 0.000 0.915 121 D HN 0.490 nan 8.370 nan 0.000 0.517 122 G N -0.140 108.732 108.800 0.120 0.000 2.351 122 G HA2 0.142 4.102 3.960 -0.000 0.000 0.353 122 G HA3 0.142 4.102 3.960 -0.000 0.000 0.353 122 G C -3.204 171.795 174.900 0.165 0.000 1.358 122 G CA -1.069 44.098 45.100 0.112 0.000 0.995 122 G HN -0.051 nan 8.290 nan 0.000 0.611 123 P HA 0.409 nan 4.420 nan 0.000 0.274 123 P C 0.909 178.207 177.300 -0.003 0.000 1.260 123 P CA -0.511 62.606 63.100 0.029 0.000 0.793 123 P CB 0.510 32.136 31.700 -0.124 0.000 1.048 124 L N -0.220 121.016 121.223 0.021 0.000 2.499 124 L HA 0.141 4.481 4.340 -0.000 0.000 0.281 124 L C 0.711 177.502 176.870 -0.132 0.000 1.234 124 L CA 0.059 54.890 54.840 -0.016 0.000 0.839 124 L CB -0.215 41.875 42.059 0.052 0.000 1.104 124 L HN 0.387 nan 8.230 nan 0.000 0.500 125 N N 1.550 120.130 118.700 -0.200 0.000 2.113 125 N HA 0.241 4.981 4.740 -0.000 0.000 0.223 125 N C -0.364 175.082 175.510 -0.106 0.000 1.310 125 N CA -0.173 52.812 53.050 -0.110 0.000 0.896 125 N CB 0.549 38.998 38.487 -0.064 0.000 1.097 125 N HN 0.524 nan 8.380 nan 0.000 0.507 126 M N 0.877 120.365 119.600 -0.187 0.000 2.501 126 M HA 0.497 4.976 4.480 -0.000 0.000 0.293 126 M C -1.488 174.742 176.300 -0.117 0.000 1.192 126 M CA -0.616 54.590 55.300 -0.156 0.000 0.886 126 M CB 2.576 35.003 32.600 -0.288 0.000 1.710 126 M HN -0.065 nan 8.290 nan 0.000 0.457 127 I N 2.990 123.504 120.570 -0.094 0.000 2.439 127 I HA 0.375 4.545 4.170 -0.000 0.000 0.283 127 I C -0.971 175.075 176.117 -0.118 0.000 1.023 127 I CA -0.457 60.776 61.300 -0.112 0.000 1.100 127 I CB 1.843 39.788 38.000 -0.091 0.000 1.238 127 I HN 0.462 nan 8.210 nan 0.000 0.445 128 L N 6.512 127.640 121.223 -0.158 0.000 2.297 128 L HA 0.433 4.772 4.340 -0.000 0.000 0.277 128 L C -0.823 175.915 176.870 -0.218 0.000 1.040 128 L CA -0.181 54.584 54.840 -0.126 0.000 0.867 128 L CB 0.463 42.505 42.059 -0.029 0.000 1.244 128 L HN 0.508 nan 8.230 nan 0.000 0.433 129 D N 2.092 122.398 120.400 -0.157 0.000 2.272 129 D HA 0.342 4.981 4.640 -0.000 0.000 0.247 129 D C -1.220 175.003 176.300 -0.128 0.000 0.990 129 D CA -0.151 53.746 54.000 -0.171 0.000 0.931 129 D CB 2.002 42.714 40.800 -0.147 0.000 1.195 129 D HN 0.282 nan 8.370 nan 0.000 0.477 130 D N 0.314 120.625 120.400 -0.149 0.000 2.328 130 D HA 0.457 5.097 4.640 -0.000 0.000 0.243 130 D C 0.525 176.658 176.300 -0.278 0.000 1.324 130 D CA 0.030 53.924 54.000 -0.178 0.000 0.966 130 D CB 0.338 41.060 40.800 -0.130 0.000 1.324 130 D HN 0.554 nan 8.370 nan 0.000 0.549 131 G N 1.720 110.316 108.800 -0.341 0.000 2.481 131 G HA2 -0.020 3.939 3.960 -0.000 0.000 0.200 131 G HA3 -0.020 3.939 3.960 -0.000 0.000 0.200 131 G C 1.035 175.951 174.900 0.027 0.000 1.012 131 G CA 0.517 45.386 45.100 -0.384 0.000 0.676 131 G HN 1.465 nan 8.290 nan 0.000 0.488 132 G N 0.042 108.857 108.800 0.026 0.000 2.259 132 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 132 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 132 G C 0.778 175.723 174.900 0.075 0.000 1.001 132 G CA 0.918 46.047 45.100 0.048 0.000 0.627 132 G HN 0.630 nan 8.290 nan 0.000 0.501 133 D N 0.328 120.829 120.400 0.167 0.000 2.172 133 D HA -0.106 4.534 4.640 -0.000 0.000 0.196 133 D C 2.406 178.708 176.300 0.004 0.000 0.999 133 D CA 1.295 55.380 54.000 0.141 0.000 0.856 133 D CB -0.066 40.888 40.800 0.256 0.000 0.934 133 D HN 0.434 nan 8.370 nan 0.000 0.453 134 L N 0.555 121.739 121.223 -0.066 0.000 2.023 134 L HA -0.142 4.198 4.340 -0.000 0.000 0.205 134 L C 2.548 179.366 176.870 -0.087 0.000 1.073 134 L CA 1.962 56.722 54.840 -0.133 0.000 0.745 134 L CB -0.797 41.143 42.059 -0.199 0.000 0.900 134 L HN 0.164 nan 8.230 nan 0.000 0.435 135 T N -2.424 112.088 114.554 -0.070 0.000 2.746 135 T HA -0.215 4.135 4.350 -0.000 0.000 0.267 135 T C 1.544 176.237 174.700 -0.011 0.000 1.039 135 T CA 1.944 64.021 62.100 -0.038 0.000 1.142 135 T CB -0.467 68.329 68.868 -0.120 0.000 0.866 135 T HN 0.317 nan 8.240 nan 0.000 0.444 136 N N 0.652 119.330 118.700 -0.037 0.000 2.166 136 N HA 0.033 4.773 4.740 -0.000 0.000 0.186 136 N C 1.668 177.206 175.510 0.046 0.000 1.019 136 N CA 1.027 54.072 53.050 -0.008 0.000 0.856 136 N CB -0.403 38.086 38.487 0.002 0.000 0.993 136 N HN 0.293 nan 8.380 nan 0.000 0.426 137 L N 0.744 121.984 121.223 0.027 0.000 2.017 137 L HA -0.040 4.299 4.340 -0.000 0.000 0.208 137 L C 1.582 178.516 176.870 0.105 0.000 1.073 137 L CA 1.499 56.363 54.840 0.041 0.000 0.745 137 L CB -0.457 41.575 42.059 -0.044 0.000 0.894 137 L HN 0.201 nan 8.230 nan 0.000 0.432 138 I N -1.347 119.259 120.570 0.061 0.000 2.110 138 I HA -0.315 3.855 4.170 -0.000 0.000 0.236 138 I C 2.431 178.635 176.117 0.144 0.000 1.068 138 I CA 1.419 62.773 61.300 0.090 0.000 1.333 138 I CB -0.804 37.209 38.000 0.022 0.000 1.054 138 I HN 0.273 nan 8.210 nan 0.000 0.402 139 H N 0.289 119.368 119.070 0.015 0.000 2.400 139 H HA -0.204 4.352 4.556 -0.000 0.000 0.295 139 H C 2.402 177.743 175.328 0.022 0.000 1.118 139 H CA 2.369 58.425 56.048 0.014 0.000 1.256 139 H CB -0.294 29.468 29.762 0.000 0.000 1.365 139 H HN 0.476 nan 8.280 nan 0.000 0.502 140 T N -3.241 111.406 114.554 0.156 0.000 3.014 140 T HA 0.116 4.466 4.350 -0.000 0.000 0.250 140 T C 1.715 176.450 174.700 0.058 0.000 1.060 140 T CA 0.439 62.591 62.100 0.088 0.000 1.040 140 T CB 0.426 69.335 68.868 0.069 0.000 0.971 140 T HN 0.009 nan 8.240 nan 0.000 0.497 141 K N -0.107 120.356 120.400 0.104 0.000 2.387 141 K HA 0.286 4.606 4.320 -0.000 0.000 0.197 141 K C 0.115 176.606 176.600 -0.181 0.000 1.127 141 K CA 0.433 56.730 56.287 0.018 0.000 0.950 141 K CB 0.515 33.091 32.500 0.127 0.000 1.017 141 K HN 0.415 nan 8.250 nan 0.000 0.519 142 H N -1.069 117.994 119.070 -0.011 0.000 2.528 142 H HA 0.281 4.837 4.556 -0.000 0.000 0.256 142 H C -2.204 173.103 175.328 -0.035 0.000 1.204 142 H CA -2.023 54.016 56.048 -0.015 0.000 0.955 142 H CB 0.503 30.255 29.762 -0.016 0.000 1.817 142 H HN 0.031 nan 8.280 nan 0.000 0.579 143 P HA -0.261 nan 4.420 nan 0.000 0.219 143 P C 1.100 178.383 177.300 -0.029 0.000 1.149 143 P CA 1.588 64.671 63.100 -0.028 0.000 0.835 143 P CB 0.352 32.032 31.700 -0.033 0.000 0.778 144 Q N -0.748 119.054 119.800 0.004 0.000 2.170 144 Q HA -0.109 4.231 4.340 -0.000 0.000 0.203 144 Q C 1.943 177.948 176.000 0.007 0.000 0.976 144 Q CA 1.189 56.997 55.803 0.008 0.000 0.858 144 Q CB -1.159 27.595 28.738 0.028 0.000 0.907 144 Q HN 0.307 nan 8.270 nan 0.000 0.433 145 L N -0.464 120.769 121.223 0.015 0.000 2.478 145 L HA -0.037 4.303 4.340 -0.000 0.000 0.223 145 L C 1.608 178.449 176.870 -0.048 0.000 1.140 145 L CA -0.133 54.696 54.840 -0.019 0.000 0.842 145 L CB -0.318 41.710 42.059 -0.051 0.000 0.953 145 L HN 0.182 nan 8.230 nan 0.000 0.452 146 L N 0.547 121.726 121.223 -0.074 0.000 1.971 146 L HA -0.258 4.082 4.340 -0.000 0.000 0.215 146 L C 2.921 179.744 176.870 -0.078 0.000 1.072 146 L CA 2.349 57.111 54.840 -0.130 0.000 0.758 146 L CB -0.934 40.986 42.059 -0.233 0.000 0.889 146 L HN 0.419 nan 8.230 nan 0.000 0.433 147 S N -1.483 114.184 115.700 -0.055 0.000 2.440 147 S HA -0.133 4.337 4.470 -0.000 0.000 0.240 147 S C 1.834 176.431 174.600 -0.005 0.000 1.014 147 S CA 0.985 59.169 58.200 -0.027 0.000 0.980 147 S CB -1.083 62.106 63.200 -0.019 0.000 0.775 147 S HN 0.471 nan 8.310 nan 0.000 0.499 148 G N 0.419 109.217 108.800 -0.004 0.000 2.939 148 G HA2 0.369 4.329 3.960 -0.000 0.000 0.210 148 G HA3 0.369 4.329 3.960 -0.000 0.000 0.210 148 G C 0.330 175.251 174.900 0.035 0.000 1.160 148 G CA -0.448 44.661 45.100 0.016 0.000 0.770 148 G HN 0.548 nan 8.290 nan 0.000 0.543 149 I N 0.999 121.580 120.570 0.018 0.000 2.308 149 I HA 0.232 4.402 4.170 -0.000 0.000 0.293 149 I C 1.592 177.757 176.117 0.080 0.000 1.078 149 I CA -0.482 60.838 61.300 0.034 0.000 1.292 149 I CB 1.516 39.518 38.000 0.003 0.000 1.423 149 I HN 0.009 nan 8.210 nan 0.000 0.493 150 R N 4.784 125.378 120.500 0.158 0.000 2.152 150 R HA 0.063 4.403 4.340 -0.000 0.000 0.232 150 R C 0.630 177.021 176.300 0.152 0.000 1.117 150 R CA 0.982 57.198 56.100 0.194 0.000 0.981 150 R CB 0.207 30.739 30.300 0.387 0.000 0.870 150 R HN 0.866 nan 8.270 nan 0.000 0.451 151 G N -1.051 107.817 108.800 0.112 0.000 2.519 151 G HA2 0.384 4.344 3.960 -0.000 0.000 0.292 151 G HA3 0.384 4.344 3.960 -0.000 0.000 0.292 151 G C -1.630 173.274 174.900 0.007 0.000 1.507 151 G CA -0.892 44.245 45.100 0.061 0.000 0.806 151 G HN 0.051 nan 8.290 nan 0.000 0.523 152 I N 0.295 120.847 120.570 -0.029 0.000 2.607 152 I HA 0.664 4.833 4.170 -0.000 0.000 0.305 152 I C 0.318 176.377 176.117 -0.096 0.000 0.995 152 I CA -0.798 60.463 61.300 -0.065 0.000 1.148 152 I CB 2.355 40.307 38.000 -0.080 0.000 1.323 152 I HN 0.367 nan 8.210 nan 0.000 0.461 153 S N 3.371 119.015 115.700 -0.095 0.000 2.524 153 S HA 0.298 4.767 4.470 -0.000 0.000 0.227 153 S C -0.708 173.838 174.600 -0.091 0.000 1.304 153 S CA -0.527 57.619 58.200 -0.089 0.000 1.185 153 S CB 0.142 63.310 63.200 -0.053 0.000 1.104 153 S HN 0.514 nan 8.310 nan 0.000 0.475 154 E N 1.726 121.854 120.200 -0.120 0.000 2.343 154 E HA 0.304 4.653 4.350 -0.000 0.000 0.269 154 E C 0.589 177.140 176.600 -0.083 0.000 1.047 154 E CA 0.042 56.369 56.400 -0.122 0.000 0.874 154 E CB 0.851 30.452 29.700 -0.165 0.000 1.033 154 E HN 0.628 nan 8.360 nan 0.000 0.409 155 E N 1.541 121.697 120.200 -0.073 0.000 2.541 155 E HA 0.095 4.445 4.350 -0.000 0.000 0.219 155 E C -0.413 176.159 176.600 -0.046 0.000 0.922 155 E CA 0.105 56.488 56.400 -0.028 0.000 1.095 155 E CB 0.859 30.581 29.700 0.037 0.000 1.112 155 E HN 0.471 nan 8.360 nan 0.000 0.516 156 T N -0.838 113.650 114.554 -0.109 0.000 2.924 156 T HA 0.235 4.584 4.350 -0.000 0.000 0.291 156 T C 1.005 175.652 174.700 -0.089 0.000 1.045 156 T CA -0.272 61.754 62.100 -0.123 0.000 1.015 156 T CB 1.794 70.500 68.868 -0.271 0.000 1.103 156 T HN -0.074 nan 8.240 nan 0.000 0.496 157 T N 1.821 116.352 114.554 -0.038 0.000 2.580 157 T HA -0.146 4.204 4.350 -0.000 0.000 0.265 157 T C 2.039 176.765 174.700 0.043 0.000 1.063 157 T CA 2.163 64.284 62.100 0.034 0.000 1.170 157 T CB -0.922 67.980 68.868 0.057 0.000 0.863 157 T HN 0.712 nan 8.240 nan 0.000 0.418 158 T N 1.308 115.855 114.554 -0.013 0.000 2.594 158 T HA -0.201 4.149 4.350 -0.000 0.000 0.266 158 T C 2.190 176.912 174.700 0.036 0.000 1.070 158 T CA 1.874 63.977 62.100 0.005 0.000 1.166 158 T CB -1.184 67.650 68.868 -0.055 0.000 0.862 158 T HN 0.595 nan 8.240 nan 0.000 0.436 159 G N 0.506 109.250 108.800 -0.093 0.000 2.446 159 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.217 159 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.217 159 G C 1.733 176.604 174.900 -0.048 0.000 1.168 159 G CA 1.106 46.167 45.100 -0.065 0.000 0.771 159 G HN 0.473 nan 8.290 nan 0.000 0.551 160 V N 0.351 120.227 119.914 -0.064 0.000 2.343 160 V HA -0.223 3.897 4.120 -0.000 0.000 0.247 160 V C 2.376 178.449 176.094 -0.035 0.000 1.051 160 V CA 2.372 64.588 62.300 -0.140 0.000 1.036 160 V CB -0.815 30.955 31.823 -0.089 0.000 0.654 160 V HN 0.637 nan 8.190 nan 0.000 0.451 161 H N 0.778 119.883 119.070 0.058 0.000 2.390 161 H HA -0.242 4.313 4.556 -0.000 0.000 0.298 161 H C 2.267 177.655 175.328 0.101 0.000 1.106 161 H CA 2.137 58.283 56.048 0.163 0.000 1.297 161 H CB -0.024 29.812 29.762 0.123 0.000 1.375 161 H HN 0.626 nan 8.280 nan 0.000 0.509 162 N N -0.141 118.696 118.700 0.228 0.000 2.188 162 N HA -0.126 4.614 4.740 -0.000 0.000 0.184 162 N C 1.829 177.344 175.510 0.008 0.000 1.018 162 N CA 1.212 54.341 53.050 0.132 0.000 0.858 162 N CB -0.280 38.270 38.487 0.104 0.000 0.989 162 N HN 0.391 nan 8.380 nan 0.000 0.426 163 L N -0.763 120.395 121.223 -0.109 0.000 2.017 163 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 163 L C 1.829 178.575 176.870 -0.207 0.000 1.073 163 L CA 1.222 55.916 54.840 -0.242 0.000 0.745 163 L CB -0.619 41.183 42.059 -0.429 0.000 0.894 163 L HN 0.249 nan 8.230 nan 0.000 0.432 164 Y N -0.057 120.191 120.300 -0.087 0.000 2.274 164 Y HA -0.264 4.286 4.550 -0.001 0.000 0.290 164 Y C 2.555 178.413 175.900 -0.070 0.000 1.145 164 Y CA 1.161 59.202 58.100 -0.099 0.000 1.203 164 Y CB -0.480 37.901 38.460 -0.131 0.000 0.984 164 Y HN 0.068 nan 8.280 nan 0.000 0.533 165 K N -0.240 120.221 120.400 0.102 0.000 2.025 165 K HA -0.166 4.154 4.320 -0.000 0.000 0.207 165 K C 2.086 178.708 176.600 0.037 0.000 1.049 165 K CA 1.556 57.885 56.287 0.071 0.000 0.933 165 K CB -0.241 32.317 32.500 0.097 0.000 0.714 165 K HN 0.215 nan 8.250 nan 0.000 0.438 166 M N -0.292 119.310 119.600 0.004 0.000 2.080 166 M HA -0.236 4.244 4.480 -0.000 0.000 0.260 166 M C 2.250 178.549 176.300 -0.001 0.000 1.068 166 M CA 1.404 56.694 55.300 -0.018 0.000 1.109 166 M CB -0.282 32.268 32.600 -0.084 0.000 1.342 166 M HN 0.205 nan 8.290 nan 0.000 0.405 167 M N 0.200 119.797 119.600 -0.004 0.000 2.086 167 M HA -0.127 4.352 4.480 -0.000 0.000 0.261 167 M C 2.402 178.719 176.300 0.028 0.000 1.067 167 M CA 1.870 57.177 55.300 0.011 0.000 1.116 167 M CB -1.137 31.473 32.600 0.017 0.000 1.348 167 M HN 0.354 nan 8.290 nan 0.000 0.407 168 A N 0.254 123.096 122.820 0.036 0.000 2.186 168 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 168 A C 1.236 178.836 177.584 0.026 0.000 1.159 168 A CA 1.594 53.650 52.037 0.031 0.000 0.680 168 A CB -0.580 18.438 19.000 0.030 0.000 0.787 168 A HN 0.629 nan 8.150 nan 0.000 0.467 169 N N -1.590 117.126 118.700 0.026 0.000 2.194 169 N HA 0.231 4.971 4.740 -0.000 0.000 0.231 169 N C 0.769 176.295 175.510 0.027 0.000 1.247 169 N CA 0.587 53.652 53.050 0.025 0.000 0.884 169 N CB 0.404 38.906 38.487 0.025 0.000 1.146 169 N HN 0.458 nan 8.380 nan 0.000 0.516 170 G N 1.458 110.275 108.800 0.028 0.000 2.356 170 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.296 170 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.296 170 G C 0.767 175.694 174.900 0.044 0.000 1.022 170 G CA 0.328 45.447 45.100 0.033 0.000 0.961 170 G HN 0.319 nan 8.290 nan 0.000 0.510 171 I N -0.753 119.845 120.570 0.047 0.000 2.628 171 I HA 0.185 4.355 4.170 -0.000 0.000 0.255 171 I C 1.884 178.086 176.117 0.141 0.000 1.119 171 I CA 0.196 61.542 61.300 0.076 0.000 1.448 171 I CB -0.438 37.592 38.000 0.050 0.000 1.133 171 I HN 0.301 nan 8.210 nan 0.000 0.438 172 L N 3.384 124.649 121.223 0.070 0.000 2.559 172 L HA -0.062 4.278 4.340 -0.000 0.000 0.274 172 L C 0.888 177.884 176.870 0.210 0.000 1.205 172 L CA 0.644 55.541 54.840 0.095 0.000 0.907 172 L CB 0.315 42.355 42.059 -0.033 0.000 1.153 172 L HN 0.206 nan 8.230 nan 0.000 0.490 173 K N 4.600 125.249 120.400 0.415 0.000 2.413 173 K HA 0.190 4.510 4.320 -0.000 0.000 0.204 173 K C -0.535 176.119 176.600 0.090 0.000 1.041 173 K CA 0.082 56.448 56.287 0.132 0.000 1.082 173 K CB 1.162 33.638 32.500 -0.040 0.000 0.871 173 K HN 0.468 nan 8.250 nan 0.000 0.535 174 V N 1.361 121.367 119.914 0.154 0.000 2.808 174 V HA 0.428 4.548 4.120 -0.000 0.000 0.308 174 V C -2.975 173.166 176.094 0.078 0.000 1.099 174 V CA -2.461 59.898 62.300 0.098 0.000 0.920 174 V CB 2.473 34.350 31.823 0.091 0.000 1.014 174 V HN -0.085 nan 8.190 nan 0.000 0.425 175 P HA 0.304 nan 4.420 nan 0.000 0.263 175 P C -0.554 176.752 177.300 0.009 0.000 1.195 175 P CA 0.498 63.653 63.100 0.092 0.000 0.762 175 P CB 0.832 32.666 31.700 0.223 0.000 0.799 176 A N 4.454 127.218 122.820 -0.092 0.000 2.384 176 A HA 0.755 5.075 4.320 -0.000 0.000 0.312 176 A C -0.555 176.902 177.584 -0.211 0.000 1.113 176 A CA -0.922 51.021 52.037 -0.157 0.000 0.779 176 A CB 1.163 20.038 19.000 -0.207 0.000 1.307 176 A HN 0.491 nan 8.150 nan 0.000 0.436 177 I N 1.545 121.988 120.570 -0.212 0.000 2.433 177 I HA 0.221 4.390 4.170 -0.000 0.000 0.292 177 I C -0.371 175.611 176.117 -0.225 0.000 1.001 177 I CA -0.718 60.450 61.300 -0.219 0.000 1.119 177 I CB 1.874 39.746 38.000 -0.213 0.000 1.289 177 I HN 0.678 nan 8.210 nan 0.000 0.438 178 N N 6.076 124.607 118.700 -0.283 0.000 2.555 178 N HA 0.099 4.838 4.740 -0.000 0.000 0.244 178 N C 0.484 175.959 175.510 -0.058 0.000 1.114 178 N CA 0.122 53.021 53.050 -0.251 0.000 0.963 178 N CB 1.085 39.289 38.487 -0.471 0.000 1.276 178 N HN 0.403 nan 8.380 nan 0.000 0.510 179 V N 3.407 123.298 119.914 -0.039 0.000 2.591 179 V HA -0.141 3.978 4.120 -0.000 0.000 0.249 179 V C 2.158 178.277 176.094 0.043 0.000 1.053 179 V CA 1.208 63.518 62.300 0.016 0.000 1.068 179 V CB -0.652 31.177 31.823 0.010 0.000 0.689 179 V HN 0.649 nan 8.190 nan 0.000 0.462 180 N N 0.710 119.427 118.700 0.027 0.000 2.104 180 N HA -0.191 4.549 4.740 -0.000 0.000 0.190 180 N C 1.146 176.711 175.510 0.092 0.000 1.024 180 N CA 1.584 54.660 53.050 0.043 0.000 0.853 180 N CB -0.120 38.382 38.487 0.026 0.000 1.008 180 N HN 0.332 nan 8.380 nan 0.000 0.424 181 D N -0.204 120.299 120.400 0.171 0.000 2.413 181 D HA 0.121 4.760 4.640 -0.000 0.000 0.237 181 D C -0.594 175.841 176.300 0.225 0.000 1.171 181 D CA 0.181 54.332 54.000 0.252 0.000 0.839 181 D CB -0.057 41.043 40.800 0.501 0.000 0.950 181 D HN 0.130 nan 8.370 nan 0.000 0.499 182 S N -0.417 115.371 115.700 0.147 0.000 2.513 182 S HA 0.115 4.584 4.470 -0.000 0.000 0.276 182 S C 1.890 176.507 174.600 0.028 0.000 1.254 182 S CA -0.728 57.527 58.200 0.093 0.000 1.053 182 S CB 2.262 65.500 63.200 0.063 0.000 0.958 182 S HN -0.053 nan 8.310 nan 0.000 0.491 183 V N 3.310 123.206 119.914 -0.030 0.000 2.370 183 V HA -0.241 3.879 4.120 -0.000 0.000 0.252 183 V C 2.464 178.576 176.094 0.029 0.000 1.068 183 V CA 2.413 64.660 62.300 -0.089 0.000 1.061 183 V CB -1.620 29.942 31.823 -0.436 0.000 0.656 183 V HN 1.028 nan 8.190 nan 0.000 0.455 184 T N -2.853 111.649 114.554 -0.088 0.000 3.085 184 T HA -0.043 4.306 4.350 -0.000 0.000 0.263 184 T C 1.674 176.330 174.700 -0.074 0.000 1.127 184 T CA 0.685 62.638 62.100 -0.244 0.000 1.103 184 T CB 0.153 68.782 68.868 -0.399 0.000 0.921 184 T HN 0.282 nan 8.240 nan 0.000 0.510 185 K N 1.528 121.930 120.400 0.004 0.000 2.065 185 K HA 0.241 4.560 4.320 -0.000 0.000 0.211 185 K C 2.666 179.295 176.600 0.048 0.000 1.025 185 K CA 0.893 57.187 56.287 0.011 0.000 0.948 185 K CB -0.846 31.662 32.500 0.013 0.000 0.798 185 K HN 0.209 nan 8.250 nan 0.000 0.450 186 S N 1.174 116.895 115.700 0.035 0.000 2.359 186 S HA -0.111 4.359 4.470 -0.000 0.000 0.224 186 S C 1.656 176.210 174.600 -0.077 0.000 1.035 186 S CA 1.453 59.650 58.200 -0.005 0.000 1.018 186 S CB -0.072 63.130 63.200 0.005 0.000 0.876 186 S HN 0.231 nan 8.310 nan 0.000 0.448 187 K N -0.087 120.275 120.400 -0.064 0.000 2.283 187 K HA 0.026 4.345 4.320 -0.000 0.000 0.202 187 K C 1.366 177.595 176.600 -0.619 0.000 1.048 187 K CA 0.925 57.030 56.287 -0.303 0.000 0.948 187 K CB -0.379 31.965 32.500 -0.260 0.000 0.742 187 K HN 0.490 nan 8.250 nan 0.000 0.458 188 F N 0.437 120.240 119.950 -0.245 0.000 2.553 188 F HA 0.063 4.590 4.527 -0.001 0.000 0.282 188 F C 2.154 177.883 175.800 -0.117 0.000 1.089 188 F CA 0.149 58.067 58.000 -0.135 0.000 1.411 188 F CB -0.152 38.859 39.000 0.017 0.000 1.125 188 F HN -0.017 nan 8.300 nan 0.000 0.610 189 D N 0.730 121.162 120.400 0.054 0.000 2.121 189 D HA -0.139 4.501 4.640 -0.000 0.000 0.209 189 D C 1.395 177.642 176.300 -0.088 0.000 0.981 189 D CA 1.442 55.440 54.000 -0.004 0.000 0.875 189 D CB -0.295 40.526 40.800 0.035 0.000 1.016 189 D HN 0.053 nan 8.370 nan 0.000 0.452 190 N N 0.408 119.090 118.700 -0.030 0.000 2.258 190 N HA -0.143 4.596 4.740 -0.000 0.000 0.187 190 N C 1.560 176.986 175.510 -0.140 0.000 1.012 190 N CA 0.701 53.736 53.050 -0.024 0.000 0.870 190 N CB -0.280 38.186 38.487 -0.034 0.000 0.977 190 N HN 0.252 nan 8.380 nan 0.000 0.434 191 L N -1.210 119.853 121.223 -0.266 0.000 2.187 191 L HA 0.104 4.444 4.340 -0.000 0.000 0.197 191 L C 1.459 178.156 176.870 -0.289 0.000 1.090 191 L CA 1.304 55.921 54.840 -0.370 0.000 0.781 191 L CB -0.661 41.011 42.059 -0.645 0.000 0.956 191 L HN -0.005 nan 8.230 nan 0.000 0.463 192 Y N 0.096 120.289 120.300 -0.178 0.000 2.314 192 Y HA 0.113 4.662 4.550 -0.000 0.000 0.293 192 Y C 2.434 178.209 175.900 -0.208 0.000 1.129 192 Y CA 0.664 58.671 58.100 -0.154 0.000 1.201 192 Y CB -1.422 36.985 38.460 -0.089 0.000 0.999 192 Y HN 0.248 nan 8.280 nan 0.000 0.541 193 G N -1.143 107.494 108.800 -0.272 0.000 2.404 193 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.214 193 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.214 193 G C 1.821 176.441 174.900 -0.467 0.000 1.189 193 G CA 1.100 45.804 45.100 -0.660 0.000 0.789 193 G HN 0.437 nan 8.290 nan 0.000 0.533 194 C N 0.230 119.296 119.300 -0.391 0.000 2.403 194 C HA -0.026 4.434 4.460 -0.000 0.000 0.279 194 C C 2.866 177.863 174.990 0.012 0.000 1.269 194 C CA 1.027 60.057 59.018 0.021 0.000 1.774 194 C CB -0.911 26.856 27.740 0.046 0.000 1.993 194 C HN 0.612 nan 8.230 nan 0.000 0.496 195 R N 1.181 121.666 120.500 -0.026 0.000 2.096 195 R HA -0.140 4.200 4.340 -0.000 0.000 0.235 195 R C 1.912 178.230 176.300 0.030 0.000 1.127 195 R CA 1.867 57.972 56.100 0.009 0.000 0.968 195 R CB -0.167 30.149 30.300 0.027 0.000 0.861 195 R HN 0.659 nan 8.270 nan 0.000 0.440 196 E N -0.468 119.751 120.200 0.031 0.000 2.201 196 E HA -0.036 4.313 4.350 -0.000 0.000 0.193 196 E C 1.835 178.498 176.600 0.105 0.000 0.957 196 E CA 0.884 57.322 56.400 0.063 0.000 0.858 196 E CB 0.210 29.939 29.700 0.048 0.000 0.816 196 E HN 0.368 nan 8.360 nan 0.000 0.475 197 S N 1.288 117.068 115.700 0.133 0.000 2.496 197 S HA -0.053 4.417 4.470 -0.000 0.000 0.224 197 S C 2.055 176.737 174.600 0.137 0.000 0.996 197 S CA 0.161 58.466 58.200 0.175 0.000 0.927 197 S CB -0.087 63.307 63.200 0.323 0.000 0.774 197 S HN 0.198 nan 8.310 nan 0.000 0.524 198 L N 1.968 123.265 121.223 0.124 0.000 1.961 198 L HA 0.067 4.407 4.340 -0.000 0.000 0.209 198 L C 2.232 179.159 176.870 0.095 0.000 1.075 198 L CA 1.767 56.666 54.840 0.098 0.000 0.749 198 L CB -0.844 41.266 42.059 0.084 0.000 0.890 198 L HN 0.223 nan 8.230 nan 0.000 0.433 199 I N 0.384 121.023 120.570 0.115 0.000 2.185 199 I HA -0.348 3.822 4.170 -0.000 0.000 0.246 199 I C 2.337 178.507 176.117 0.089 0.000 1.088 199 I CA 1.879 63.251 61.300 0.120 0.000 1.347 199 I CB -1.525 36.604 38.000 0.214 0.000 1.041 199 I HN 0.479 nan 8.210 nan 0.000 0.415 200 D N 0.910 121.369 120.400 0.099 0.000 2.149 200 D HA -0.135 4.505 4.640 -0.000 0.000 0.198 200 D C 2.219 178.555 176.300 0.060 0.000 0.990 200 D CA 1.580 55.628 54.000 0.080 0.000 0.839 200 D CB -0.242 40.613 40.800 0.092 0.000 0.948 200 D HN 0.381 nan 8.370 nan 0.000 0.460 201 G N 0.082 108.919 108.800 0.062 0.000 2.403 201 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.216 201 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.216 201 G C 1.901 176.825 174.900 0.040 0.000 1.154 201 G CA 0.228 45.356 45.100 0.047 0.000 0.784 201 G HN 0.296 nan 8.290 nan 0.000 0.538 202 I N 0.467 121.065 120.570 0.045 0.000 2.142 202 I HA -0.162 4.007 4.170 -0.000 0.000 0.240 202 I C 2.827 178.956 176.117 0.020 0.000 1.078 202 I CA 1.193 62.516 61.300 0.038 0.000 1.343 202 I CB -0.127 37.897 38.000 0.041 0.000 1.046 202 I HN 0.096 nan 8.210 nan 0.000 0.405 203 K N 0.613 121.019 120.400 0.011 0.000 1.991 203 K HA -0.199 4.121 4.320 -0.000 0.000 0.212 203 K C 2.233 178.834 176.600 0.002 0.000 1.049 203 K CA 1.451 57.733 56.287 -0.008 0.000 0.932 203 K CB -0.467 32.021 32.500 -0.020 0.000 0.717 203 K HN 0.288 nan 8.250 nan 0.000 0.441 204 R N 0.397 120.906 120.500 0.014 0.000 2.103 204 R HA -0.161 4.178 4.340 -0.000 0.000 0.242 204 R C 2.418 178.724 176.300 0.009 0.000 1.142 204 R CA 1.636 57.745 56.100 0.015 0.000 0.960 204 R CB -0.346 29.969 30.300 0.026 0.000 0.858 204 R HN 0.280 nan 8.270 nan 0.000 0.439 205 A N -0.395 122.430 122.820 0.009 0.000 1.874 205 A HA -0.112 4.208 4.320 -0.000 0.000 0.214 205 A C 2.152 179.739 177.584 0.004 0.000 1.189 205 A CA 1.784 53.823 52.037 0.003 0.000 0.615 205 A CB -0.375 18.627 19.000 0.003 0.000 0.830 205 A HN 0.477 nan 8.150 nan 0.000 0.443 206 T N -5.268 109.291 114.554 0.009 0.000 2.990 206 T HA 0.091 4.440 4.350 -0.000 0.000 0.249 206 T C 0.550 175.249 174.700 -0.001 0.000 1.039 206 T CA 1.010 63.115 62.100 0.009 0.000 1.036 206 T CB -0.100 68.781 68.868 0.022 0.000 0.994 206 T HN 0.411 nan 8.240 nan 0.000 0.489 207 D N 0.481 120.876 120.400 -0.009 0.000 2.983 207 D HA -0.139 4.501 4.640 -0.000 0.000 0.225 207 D C 0.044 176.325 176.300 -0.032 0.000 1.174 207 D CA 0.519 54.505 54.000 -0.022 0.000 0.831 207 D CB -1.286 39.504 40.800 -0.017 0.000 1.104 207 D HN 0.476 nan 8.370 nan 0.000 0.421 208 V N 0.810 120.708 119.914 -0.026 0.000 2.881 208 V HA 0.228 4.348 4.120 -0.000 0.000 0.303 208 V C 0.674 176.731 176.094 -0.062 0.000 1.070 208 V CA -0.193 62.089 62.300 -0.029 0.000 1.074 208 V CB 1.550 33.369 31.823 -0.007 0.000 1.012 208 V HN 0.201 nan 8.190 nan 0.000 0.482 209 M N 5.673 125.237 119.600 -0.061 0.000 2.185 209 M HA 0.283 4.763 4.480 -0.000 0.000 0.357 209 M C 0.480 176.733 176.300 -0.079 0.000 1.260 209 M CA -0.126 55.120 55.300 -0.091 0.000 1.124 209 M CB 0.812 33.374 32.600 -0.063 0.000 1.600 209 M HN 0.604 nan 8.290 nan 0.000 0.467 210 I N 3.158 123.653 120.570 -0.125 0.000 2.406 210 I HA 0.024 4.194 4.170 -0.000 0.000 0.249 210 I C 1.408 177.527 176.117 0.004 0.000 1.122 210 I CA 0.589 61.860 61.300 -0.050 0.000 1.431 210 I CB -1.929 36.050 38.000 -0.035 0.000 1.087 210 I HN 0.811 nan 8.210 nan 0.000 0.424 211 A N 0.538 123.356 122.820 -0.003 0.000 2.577 211 A HA 0.267 4.586 4.320 -0.000 0.000 0.233 211 A C 1.759 179.351 177.584 0.015 0.000 1.076 211 A CA 0.940 52.994 52.037 0.028 0.000 0.767 211 A CB -0.646 18.365 19.000 0.019 0.000 1.017 211 A HN 0.764 nan 8.150 nan 0.000 0.511 212 G N 0.189 109.001 108.800 0.020 0.000 2.249 212 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.269 212 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.269 212 G C 0.436 175.338 174.900 0.003 0.000 0.979 212 G CA 1.643 46.749 45.100 0.010 0.000 0.644 212 G HN 0.924 nan 8.290 nan 0.000 0.546 213 K N -0.366 120.036 120.400 0.002 0.000 2.118 213 K HA 0.598 4.917 4.320 -0.000 0.000 0.267 213 K C 0.138 176.725 176.600 -0.023 0.000 0.991 213 K CA -0.623 55.657 56.287 -0.011 0.000 0.916 213 K CB 2.017 34.510 32.500 -0.012 0.000 1.041 213 K HN -0.009 nan 8.250 nan 0.000 0.455 214 V N 3.044 122.929 119.914 -0.049 0.000 2.385 214 V HA 0.389 4.508 4.120 -0.000 0.000 0.269 214 V C -0.180 175.822 176.094 -0.153 0.000 1.043 214 V CA -0.611 61.644 62.300 -0.076 0.000 0.906 214 V CB 0.856 32.633 31.823 -0.077 0.000 0.995 214 V HN 0.865 nan 8.190 nan 0.000 0.467 215 A N 5.335 128.075 122.820 -0.134 0.000 2.312 215 A HA 0.852 5.172 4.320 -0.000 0.000 0.328 215 A C -0.636 176.803 177.584 -0.243 0.000 1.158 215 A CA -0.523 51.394 52.037 -0.201 0.000 0.821 215 A CB 1.444 20.389 19.000 -0.092 0.000 1.170 215 A HN 0.646 nan 8.150 nan 0.000 0.490 216 V N 2.614 122.310 119.914 -0.364 0.000 2.407 216 V HA 0.385 4.505 4.120 -0.000 0.000 0.291 216 V C -0.425 175.587 176.094 -0.137 0.000 1.018 216 V CA -0.525 61.611 62.300 -0.274 0.000 0.842 216 V CB 1.255 32.843 31.823 -0.393 0.000 0.996 216 V HN 0.629 nan 8.190 nan 0.000 0.426 217 V N 3.807 123.669 119.914 -0.087 0.000 2.427 217 V HA 0.701 4.821 4.120 -0.000 0.000 0.286 217 V C 0.625 176.707 176.094 -0.020 0.000 1.034 217 V CA -0.525 61.750 62.300 -0.042 0.000 0.893 217 V CB 1.771 33.561 31.823 -0.055 0.000 0.982 217 V HN 0.966 nan 8.190 nan 0.000 0.452 218 A N 4.136 126.959 122.820 0.005 0.000 2.279 218 A HA 0.757 5.077 4.320 -0.000 0.000 0.306 218 A C 0.707 178.301 177.584 0.017 0.000 1.300 218 A CA 0.407 52.450 52.037 0.009 0.000 0.925 218 A CB -0.297 18.713 19.000 0.016 0.000 1.152 218 A HN 2.050 nan 8.150 nan 0.000 0.544 219 G N 0.595 109.412 108.800 0.028 0.000 2.721 219 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.686 219 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.686 219 G C -0.539 174.421 174.900 0.099 0.000 1.236 219 G CA -0.061 45.070 45.100 0.051 0.000 0.786 219 G HN 1.513 nan 8.290 nan 0.000 0.616 220 Y N 2.377 122.644 120.300 -0.055 0.000 2.736 220 Y HA 0.511 5.061 4.550 -0.001 0.000 0.293 220 Y C 1.433 177.300 175.900 -0.055 0.000 1.062 220 Y CA 0.288 58.343 58.100 -0.074 0.000 1.247 220 Y CB -0.059 38.359 38.460 -0.070 0.000 1.200 220 Y HN 0.953 nan 8.280 nan 0.000 0.552 221 G N -0.009 108.716 108.800 -0.125 0.000 2.525 221 G HA2 -0.041 3.918 3.960 -0.000 0.000 0.276 221 G HA3 -0.041 3.918 3.960 -0.000 0.000 0.276 221 G C 0.627 175.372 174.900 -0.258 0.000 1.388 221 G CA 0.005 45.017 45.100 -0.148 0.000 1.050 221 G HN 0.245 nan 8.290 nan 0.000 0.520 222 D N -1.303 118.983 120.400 -0.191 0.000 2.182 222 D HA -0.123 4.516 4.640 -0.000 0.000 0.201 222 D C 2.640 178.817 176.300 -0.205 0.000 0.986 222 D CA 0.686 54.553 54.000 -0.222 0.000 0.847 222 D CB -0.066 40.631 40.800 -0.172 0.000 0.942 222 D HN 0.054 nan 8.370 nan 0.000 0.467 223 V N 0.606 120.440 119.914 -0.135 0.000 2.323 223 V HA -0.096 4.024 4.120 -0.000 0.000 0.244 223 V C 2.529 178.554 176.094 -0.115 0.000 1.041 223 V CA 1.928 64.175 62.300 -0.088 0.000 1.025 223 V CB -0.758 31.049 31.823 -0.026 0.000 0.656 223 V HN 0.226 nan 8.190 nan 0.000 0.451 224 G N -0.510 108.208 108.800 -0.138 0.000 2.432 224 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.219 224 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.219 224 G C 1.645 176.394 174.900 -0.252 0.000 1.135 224 G CA 0.736 45.753 45.100 -0.139 0.000 0.767 224 G HN 0.459 nan 8.290 nan 0.000 0.550 225 K N 0.152 120.277 120.400 -0.459 0.000 2.148 225 K HA -0.008 4.311 4.320 -0.000 0.000 0.204 225 K C 2.710 179.167 176.600 -0.238 0.000 1.050 225 K CA 0.744 56.695 56.287 -0.560 0.000 0.942 225 K CB -0.201 31.911 32.500 -0.645 0.000 0.724 225 K HN 0.283 nan 8.250 nan 0.000 0.446 226 G N 1.256 109.944 108.800 -0.186 0.000 2.424 226 G HA2 -0.238 3.721 3.960 -0.000 0.000 0.214 226 G HA3 -0.238 3.721 3.960 -0.000 0.000 0.214 226 G C 1.694 176.566 174.900 -0.047 0.000 1.202 226 G CA 0.965 46.005 45.100 -0.100 0.000 0.793 226 G HN 0.321 nan 8.290 nan 0.000 0.534 227 C N 1.429 120.704 119.300 -0.041 0.000 2.385 227 C HA 0.031 4.491 4.460 -0.000 0.000 0.275 227 C C 3.521 178.508 174.990 -0.005 0.000 1.207 227 C CA 0.910 59.925 59.018 -0.006 0.000 1.760 227 C CB -1.322 26.415 27.740 -0.005 0.000 2.051 227 C HN 0.558 nan 8.230 nan 0.000 0.467 228 A N 0.208 122.996 122.820 -0.053 0.000 1.873 228 A HA -0.319 4.001 4.320 -0.000 0.000 0.218 228 A C 2.194 179.822 177.584 0.073 0.000 1.193 228 A CA 2.275 54.268 52.037 -0.073 0.000 0.629 228 A CB -0.956 17.843 19.000 -0.336 0.000 0.826 228 A HN 0.729 nan 8.150 nan 0.000 0.447 229 Q N -0.704 119.144 119.800 0.081 0.000 2.096 229 Q HA -0.161 4.178 4.340 -0.000 0.000 0.204 229 Q C 2.175 178.200 176.000 0.042 0.000 0.982 229 Q CA 1.941 57.809 55.803 0.109 0.000 0.850 229 Q CB -0.373 28.406 28.738 0.069 0.000 0.901 229 Q HN 0.641 nan 8.270 nan 0.000 0.422 230 A N 0.534 123.367 122.820 0.021 0.000 1.832 230 A HA -0.169 4.151 4.320 -0.000 0.000 0.214 230 A C 2.045 179.668 177.584 0.065 0.000 1.200 230 A CA 1.531 53.568 52.037 -0.000 0.000 0.610 230 A CB -0.953 18.075 19.000 0.047 0.000 0.842 230 A HN 0.440 nan 8.150 nan 0.000 0.444 231 L N -0.724 120.568 121.223 0.115 0.000 2.013 231 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 231 L C 2.809 179.771 176.870 0.153 0.000 1.073 231 L CA 1.926 56.859 54.840 0.154 0.000 0.753 231 L CB -0.708 41.406 42.059 0.091 0.000 0.890 231 L HN 0.445 nan 8.230 nan 0.000 0.432 232 R N 1.054 121.634 120.500 0.134 0.000 2.082 232 R HA -0.158 4.182 4.340 -0.000 0.000 0.234 232 R C 2.059 178.407 176.300 0.080 0.000 1.136 232 R CA 1.916 58.097 56.100 0.135 0.000 0.935 232 R CB -0.893 29.532 30.300 0.210 0.000 0.842 232 R HN 0.417 nan 8.270 nan 0.000 0.430 233 G N -0.727 108.081 108.800 0.012 0.000 2.740 233 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.208 233 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.208 233 G C 0.667 175.511 174.900 -0.095 0.000 1.148 233 G CA 0.017 45.072 45.100 -0.075 0.000 0.795 233 G HN 0.296 nan 8.290 nan 0.000 0.526 234 F N -0.303 119.662 119.950 0.025 0.000 2.682 234 F HA 0.366 4.893 4.527 -0.000 0.000 0.308 234 F C 1.722 177.530 175.800 0.013 0.000 1.093 234 F CA -0.411 57.599 58.000 0.017 0.000 1.244 234 F CB 0.860 39.871 39.000 0.018 0.000 1.052 234 F HN 0.217 nan 8.300 nan 0.000 0.573 235 G N 0.404 109.320 108.800 0.193 0.000 2.143 235 G HA2 0.089 4.049 3.960 -0.000 0.000 0.175 235 G HA3 0.089 4.049 3.960 -0.000 0.000 0.175 235 G C 0.024 174.975 174.900 0.085 0.000 1.004 235 G CA -0.180 44.988 45.100 0.113 0.000 0.671 235 G HN 0.567 nan 8.290 nan 0.000 0.512 236 A N -0.040 122.840 122.820 0.100 0.000 2.312 236 A HA 0.856 5.175 4.320 -0.000 0.000 0.326 236 A C 0.386 178.005 177.584 0.058 0.000 1.172 236 A CA -0.292 51.785 52.037 0.067 0.000 0.821 236 A CB 0.773 19.817 19.000 0.073 0.000 1.166 236 A HN 0.733 nan 8.150 nan 0.000 0.493 237 R N 2.601 123.120 120.500 0.031 0.000 2.235 237 R HA 0.440 4.779 4.340 -0.000 0.000 0.338 237 R C -1.200 175.120 176.300 0.033 0.000 1.087 237 R CA -0.220 55.899 56.100 0.031 0.000 0.948 237 R CB -0.039 30.265 30.300 0.008 0.000 1.099 237 R HN 0.476 nan 8.270 nan 0.000 0.483 238 V N 6.788 126.760 119.914 0.097 0.000 2.488 238 V HA 0.238 4.358 4.120 -0.000 0.000 0.277 238 V C 0.530 176.684 176.094 0.099 0.000 1.046 238 V CA -0.253 62.103 62.300 0.093 0.000 0.986 238 V CB 1.058 32.976 31.823 0.159 0.000 0.989 238 V HN 0.692 nan 8.190 nan 0.000 0.475 239 I N 5.704 126.269 120.570 -0.010 0.000 2.389 239 I HA 0.462 4.631 4.170 -0.000 0.000 0.288 239 I C -0.470 175.608 176.117 -0.066 0.000 0.999 239 I CA -0.331 60.956 61.300 -0.023 0.000 1.129 239 I CB 1.796 39.761 38.000 -0.057 0.000 1.288 239 I HN 0.482 nan 8.210 nan 0.000 0.444 240 I N 5.378 125.906 120.570 -0.071 0.000 2.498 240 I HA 0.353 4.522 4.170 -0.000 0.000 0.301 240 I C 0.225 176.301 176.117 -0.069 0.000 0.984 240 I CA -0.025 61.216 61.300 -0.098 0.000 1.204 240 I CB 2.091 39.980 38.000 -0.185 0.000 1.362 240 I HN 0.537 nan 8.210 nan 0.000 0.471 241 T N 2.453 116.980 114.554 -0.045 0.000 2.823 241 T HA 0.713 5.063 4.350 -0.000 0.000 0.279 241 T C -0.511 174.184 174.700 -0.009 0.000 0.998 241 T CA -0.756 61.324 62.100 -0.032 0.000 0.994 241 T CB 1.954 70.802 68.868 -0.034 0.000 0.960 241 T HN 0.436 nan 8.240 nan 0.000 0.448 242 E N 0.925 121.120 120.200 -0.007 0.000 2.407 242 E HA 0.344 4.693 4.350 -0.000 0.000 0.279 242 E C 0.063 176.669 176.600 0.010 0.000 1.012 242 E CA -0.581 55.827 56.400 0.014 0.000 0.800 242 E CB 2.193 31.907 29.700 0.022 0.000 1.276 242 E HN 0.807 nan 8.360 nan 0.000 0.452 243 I N -2.633 117.950 120.570 0.021 0.000 4.323 243 I HA 0.361 4.531 4.170 -0.000 0.000 0.328 243 I C 0.601 176.731 176.117 0.022 0.000 1.310 243 I CA -0.149 61.162 61.300 0.019 0.000 1.186 243 I CB 0.632 38.645 38.000 0.023 0.000 1.130 243 I HN 0.079 nan 8.210 nan 0.000 0.411 244 D N 3.243 123.661 120.400 0.029 0.000 2.225 244 D HA 0.229 4.869 4.640 -0.000 0.000 0.248 244 D C -1.592 174.723 176.300 0.025 0.000 1.096 244 D CA -2.122 51.897 54.000 0.031 0.000 0.863 244 D CB 2.209 43.035 40.800 0.043 0.000 1.156 244 D HN -0.029 nan 8.370 nan 0.000 0.450 245 P HA -0.043 nan 4.420 nan 0.000 0.217 245 P C 1.808 179.117 177.300 0.014 0.000 1.151 245 P CA 0.685 63.791 63.100 0.011 0.000 0.828 245 P CB 0.638 32.342 31.700 0.007 0.000 0.788 246 I N -0.084 120.500 120.570 0.023 0.000 2.233 246 I HA -0.162 4.008 4.170 -0.000 0.000 0.243 246 I C 2.394 178.543 176.117 0.053 0.000 1.093 246 I CA 1.116 62.433 61.300 0.029 0.000 1.380 246 I CB -0.801 37.215 38.000 0.026 0.000 1.067 246 I HN -0.056 nan 8.210 nan 0.000 0.413 247 N N 1.276 120.022 118.700 0.077 0.000 2.166 247 N HA -0.147 4.593 4.740 -0.000 0.000 0.186 247 N C 1.965 177.545 175.510 0.117 0.000 1.019 247 N CA 1.582 54.729 53.050 0.162 0.000 0.856 247 N CB -0.096 38.494 38.487 0.172 0.000 0.993 247 N HN 0.336 nan 8.380 nan 0.000 0.426 248 A N 1.490 124.328 122.820 0.029 0.000 1.883 248 A HA -0.130 4.189 4.320 -0.000 0.000 0.217 248 A C 2.235 179.773 177.584 -0.078 0.000 1.186 248 A CA 1.011 53.018 52.037 -0.051 0.000 0.624 248 A CB -0.791 18.192 19.000 -0.027 0.000 0.822 248 A HN 0.203 nan 8.150 nan 0.000 0.444 249 L N 0.142 121.348 121.223 -0.029 0.000 2.079 249 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 249 L C 2.587 179.439 176.870 -0.030 0.000 1.081 249 L CA 2.184 57.008 54.840 -0.027 0.000 0.752 249 L CB -0.666 41.390 42.059 -0.006 0.000 0.896 249 L HN 0.524 nan 8.230 nan 0.000 0.433 250 Q N -0.963 118.838 119.800 0.001 0.000 2.096 250 Q HA -0.215 4.124 4.340 -0.000 0.000 0.204 250 Q C 2.243 178.207 176.000 -0.060 0.000 0.982 250 Q CA 1.611 57.449 55.803 0.058 0.000 0.850 250 Q CB -0.433 28.451 28.738 0.244 0.000 0.901 250 Q HN 0.671 nan 8.270 nan 0.000 0.422 251 A N 1.638 124.234 122.820 -0.373 0.000 1.835 251 A HA -0.159 4.160 4.320 -0.000 0.000 0.215 251 A C 2.427 179.950 177.584 -0.102 0.000 1.199 251 A CA 1.806 53.544 52.037 -0.498 0.000 0.615 251 A CB -1.137 17.453 19.000 -0.682 0.000 0.838 251 A HN 0.403 nan 8.150 nan 0.000 0.444 252 A N -0.836 121.922 122.820 -0.104 0.000 1.903 252 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 252 A C 2.135 179.679 177.584 -0.068 0.000 1.191 252 A CA 2.326 54.323 52.037 -0.067 0.000 0.638 252 A CB -0.603 18.364 19.000 -0.055 0.000 0.823 252 A HN 0.473 nan 8.150 nan 0.000 0.451 253 M N -0.550 119.020 119.600 -0.050 0.000 2.446 253 M HA -0.048 4.432 4.480 -0.000 0.000 0.263 253 M C 0.940 177.210 176.300 -0.050 0.000 1.066 253 M CA 0.979 56.257 55.300 -0.037 0.000 1.087 253 M CB -0.922 31.674 32.600 -0.008 0.000 1.406 253 M HN 0.342 nan 8.290 nan 0.000 0.459 254 E N -0.574 119.586 120.200 -0.067 0.000 2.476 254 E HA 0.266 4.616 4.350 -0.000 0.000 0.196 254 E C 1.204 177.545 176.600 -0.433 0.000 1.029 254 E CA 0.363 56.681 56.400 -0.136 0.000 0.896 254 E CB 0.355 30.109 29.700 0.090 0.000 1.012 254 E HN 0.581 nan 8.360 nan 0.000 0.475 255 G N 1.091 109.692 108.800 -0.331 0.000 2.141 255 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.231 255 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.231 255 G C -0.269 174.395 174.900 -0.392 0.000 0.984 255 G CA -0.109 44.779 45.100 -0.353 0.000 0.660 255 G HN 0.168 nan 8.290 nan 0.000 0.525 256 Y N 0.753 120.996 120.300 -0.095 0.000 2.323 256 Y HA 0.588 5.138 4.550 -0.001 0.000 0.331 256 Y C 0.744 176.578 175.900 -0.111 0.000 1.092 256 Y CA -1.141 56.895 58.100 -0.106 0.000 1.150 256 Y CB 1.011 39.377 38.460 -0.155 0.000 1.200 256 Y HN 0.202 nan 8.280 nan 0.000 0.472 257 E N 2.154 122.395 120.200 0.068 0.000 2.313 257 E HA 0.374 4.724 4.350 -0.000 0.000 0.276 257 E C -1.391 175.206 176.600 -0.005 0.000 1.031 257 E CA -0.330 56.075 56.400 0.009 0.000 0.857 257 E CB 0.877 30.576 29.700 -0.001 0.000 1.040 257 E HN 0.453 nan 8.360 nan 0.000 0.408 258 V N 4.753 124.650 119.914 -0.028 0.000 2.384 258 V HA 0.354 4.474 4.120 -0.000 0.000 0.287 258 V C -0.033 176.040 176.094 -0.034 0.000 1.020 258 V CA -0.376 61.898 62.300 -0.043 0.000 0.850 258 V CB 1.556 33.343 31.823 -0.060 0.000 0.987 258 V HN 0.806 nan 8.190 nan 0.000 0.436 259 T N 1.414 115.946 114.554 -0.036 0.000 2.669 259 T HA 0.558 4.907 4.350 -0.000 0.000 0.283 259 T C -0.004 174.675 174.700 -0.035 0.000 1.019 259 T CA -0.654 61.428 62.100 -0.031 0.000 1.039 259 T CB 1.836 70.687 68.868 -0.029 0.000 1.374 259 T HN 0.688 nan 8.240 nan 0.000 0.523 260 T N -0.988 113.546 114.554 -0.034 0.000 2.918 260 T HA 0.436 4.785 4.350 -0.000 0.000 0.283 260 T C 1.211 175.866 174.700 -0.075 0.000 1.001 260 T CA -0.725 61.350 62.100 -0.042 0.000 1.041 260 T CB 0.964 69.817 68.868 -0.025 0.000 1.028 260 T HN 0.498 nan 8.240 nan 0.000 0.511 261 M N 1.048 120.572 119.600 -0.127 0.000 2.175 261 M HA -0.010 4.470 4.480 -0.000 0.000 0.264 261 M C 1.194 177.304 176.300 -0.317 0.000 1.063 261 M CA 1.695 56.835 55.300 -0.266 0.000 1.119 261 M CB -0.995 31.338 32.600 -0.446 0.000 1.377 261 M HN 0.683 nan 8.290 nan 0.000 0.415 262 D N 0.238 120.537 120.400 -0.169 0.000 2.315 262 D HA -0.160 4.480 4.640 -0.000 0.000 0.211 262 D C 1.795 178.086 176.300 -0.015 0.000 0.977 262 D CA 0.958 54.952 54.000 -0.009 0.000 0.894 262 D CB -0.199 40.638 40.800 0.063 0.000 0.910 262 D HN 0.498 nan 8.370 nan 0.000 0.490 263 E N -0.242 119.934 120.200 -0.039 0.000 2.206 263 E HA 0.174 4.524 4.350 -0.000 0.000 0.195 263 E C 2.036 178.630 176.600 -0.010 0.000 0.935 263 E CA 0.456 56.847 56.400 -0.016 0.000 0.875 263 E CB -0.001 29.689 29.700 -0.017 0.000 0.841 263 E HN 0.179 nan 8.360 nan 0.000 0.477 264 A N 1.462 124.266 122.820 -0.026 0.000 1.929 264 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 264 A C 2.568 180.213 177.584 0.102 0.000 1.176 264 A CA 1.441 53.478 52.037 -0.000 0.000 0.628 264 A CB -1.123 17.858 19.000 -0.031 0.000 0.816 264 A HN 0.488 nan 8.150 nan 0.000 0.444 265 C N 0.099 119.474 119.300 0.124 0.000 2.392 265 C HA -0.169 4.290 4.460 -0.000 0.000 0.276 265 C C 2.245 177.378 174.990 0.239 0.000 1.212 265 C CA 1.344 60.499 59.018 0.229 0.000 1.791 265 C CB -1.481 26.227 27.740 -0.054 0.000 2.063 265 C HN 0.594 nan 8.230 nan 0.000 0.481 266 K N 0.726 121.204 120.400 0.129 0.000 2.432 266 K HA 0.023 4.343 4.320 -0.000 0.000 0.196 266 K C 1.891 178.556 176.600 0.109 0.000 1.038 266 K CA 1.036 57.392 56.287 0.115 0.000 0.986 266 K CB -0.124 32.419 32.500 0.072 0.000 0.782 266 K HN 0.670 nan 8.250 nan 0.000 0.485 267 E N 0.646 120.901 120.200 0.091 0.000 2.572 267 E HA 0.064 4.413 4.350 -0.000 0.000 0.220 267 E C 0.238 176.832 176.600 -0.011 0.000 0.945 267 E CA -0.253 56.170 56.400 0.039 0.000 1.070 267 E CB 0.829 30.533 29.700 0.007 0.000 1.090 267 E HN 0.244 nan 8.360 nan 0.000 0.506 268 G N 0.311 109.093 108.800 -0.031 0.000 2.476 268 G HA2 0.081 4.041 3.960 -0.000 0.000 0.269 268 G HA3 0.081 4.041 3.960 -0.000 0.000 0.269 268 G C 0.340 175.148 174.900 -0.153 0.000 1.195 268 G CA -0.293 44.591 45.100 -0.359 0.000 0.843 268 G HN 0.060 nan 8.290 nan 0.000 0.545 269 N N -0.388 118.184 118.700 -0.213 0.000 2.257 269 N HA 0.177 4.917 4.740 -0.000 0.000 0.200 269 N C -0.163 175.348 175.510 0.001 0.000 1.163 269 N CA 0.250 53.289 53.050 -0.017 0.000 0.891 269 N CB 0.957 39.433 38.487 -0.018 0.000 1.067 269 N HN 0.382 nan 8.380 nan 0.000 0.497 270 I N 0.830 121.292 120.570 -0.180 0.000 2.571 270 I HA 0.302 4.472 4.170 -0.000 0.000 0.289 270 I C -1.542 174.434 176.117 -0.234 0.000 1.115 270 I CA -0.552 60.715 61.300 -0.055 0.000 1.045 270 I CB 1.847 39.828 38.000 -0.032 0.000 1.238 270 I HN -0.255 nan 8.210 nan 0.000 0.424 271 F N 6.016 125.979 119.950 0.022 0.000 2.449 271 F HA 0.628 5.155 4.527 -0.001 0.000 0.342 271 F C -0.232 175.574 175.800 0.010 0.000 1.127 271 F CA -0.878 57.122 58.000 0.000 0.000 0.975 271 F CB 1.860 40.848 39.000 -0.020 0.000 1.146 271 F HN -0.055 nan 8.300 nan 0.000 0.444 272 V N 1.039 121.030 119.914 0.128 0.000 2.531 272 V HA 0.557 4.677 4.120 -0.000 0.000 0.301 272 V C -0.384 175.751 176.094 0.069 0.000 1.034 272 V CA -1.026 61.327 62.300 0.089 0.000 0.865 272 V CB 1.708 33.559 31.823 0.047 0.000 0.995 272 V HN 0.767 nan 8.190 nan 0.000 0.424 273 T N -0.778 113.816 114.554 0.068 0.000 2.801 273 T HA 0.353 4.703 4.350 -0.000 0.000 0.306 273 T C 0.739 175.463 174.700 0.039 0.000 1.020 273 T CA 0.145 62.275 62.100 0.048 0.000 0.948 273 T CB 0.900 69.798 68.868 0.049 0.000 0.962 273 T HN 0.887 nan 8.240 nan 0.000 0.465 274 T N -0.146 114.423 114.554 0.026 0.000 3.069 274 T HA 0.186 4.536 4.350 -0.000 0.000 0.252 274 T C 0.881 175.591 174.700 0.017 0.000 1.053 274 T CA -0.253 61.857 62.100 0.018 0.000 0.964 274 T CB -0.183 68.683 68.868 -0.003 0.000 1.005 274 T HN 0.540 nan 8.240 nan 0.000 0.532 275 T N 1.479 116.047 114.554 0.023 0.000 2.726 275 T HA 0.494 4.844 4.350 -0.000 0.000 0.294 275 T C 1.190 175.907 174.700 0.028 0.000 1.013 275 T CA 0.111 62.225 62.100 0.024 0.000 0.996 275 T CB 0.714 69.596 68.868 0.024 0.000 1.016 275 T HN 0.396 nan 8.240 nan 0.000 0.529 276 G N -0.460 108.353 108.800 0.022 0.000 4.144 276 G HA2 0.400 4.360 3.960 -0.000 0.000 0.297 276 G HA3 0.400 4.360 3.960 -0.000 0.000 0.297 276 G C -0.082 174.823 174.900 0.009 0.000 1.090 276 G CA -0.197 44.916 45.100 0.020 0.000 0.870 276 G HN 0.782 nan 8.290 nan 0.000 0.532 277 C N 0.752 120.063 119.300 0.019 0.000 2.719 277 C HA 0.800 5.260 4.460 -0.000 0.000 0.327 277 C C 0.653 175.660 174.990 0.027 0.000 1.238 277 C CA -0.569 58.458 59.018 0.015 0.000 1.727 277 C CB 1.165 28.912 27.740 0.013 0.000 2.256 277 C HN 0.435 nan 8.230 nan 0.000 0.489 278 V N 1.912 121.839 119.914 0.022 0.000 3.083 278 V HA 0.525 4.645 4.120 -0.000 0.000 0.306 278 V C -0.072 176.032 176.094 0.017 0.000 1.077 278 V CA -0.093 62.220 62.300 0.022 0.000 1.073 278 V CB 0.936 32.768 31.823 0.014 0.000 1.081 278 V HN 0.966 nan 8.190 nan 0.000 0.474 279 D N 0.090 120.499 120.400 0.014 0.000 2.746 279 D HA -0.161 4.479 4.640 -0.000 0.000 0.236 279 D C 0.535 176.844 176.300 0.015 0.000 1.129 279 D CA 0.710 54.712 54.000 0.004 0.000 0.691 279 D CB -0.793 40.006 40.800 -0.002 0.000 1.077 279 D HN 0.460 nan 8.370 nan 0.000 0.432 280 I N -0.207 120.372 120.570 0.015 0.000 2.296 280 I HA 0.046 4.216 4.170 -0.000 0.000 0.242 280 I C 1.454 177.581 176.117 0.017 0.000 1.087 280 I CA 0.821 62.130 61.300 0.014 0.000 1.393 280 I CB -0.115 37.889 38.000 0.008 0.000 1.093 280 I HN 0.140 nan 8.210 nan 0.000 0.421 281 I N 1.694 122.243 120.570 -0.034 0.000 2.382 281 I HA 0.246 4.416 4.170 -0.000 0.000 0.286 281 I C -0.834 175.130 176.117 -0.255 0.000 1.002 281 I CA -0.441 60.787 61.300 -0.119 0.000 1.135 281 I CB 1.585 39.371 38.000 -0.356 0.000 1.288 281 I HN -0.114 nan 8.210 nan 0.000 0.448 282 L N 4.130 125.150 121.223 -0.338 0.000 2.298 282 L HA 0.576 4.916 4.340 -0.000 0.000 0.268 282 L C 1.565 177.956 176.870 -0.797 0.000 1.010 282 L CA -0.121 54.387 54.840 -0.554 0.000 0.812 282 L CB 1.021 42.730 42.059 -0.583 0.000 1.331 282 L HN 0.570 nan 8.230 nan 0.000 0.450 283 G N -0.209 107.993 108.800 -0.996 0.000 2.448 283 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.219 283 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.219 283 G C 1.413 175.733 174.900 -0.967 0.000 1.127 283 G CA 0.930 44.927 45.100 -1.839 0.000 0.766 283 G HN 0.729 nan 8.290 nan 0.000 0.552 284 R N -0.704 119.382 120.500 -0.691 0.000 2.189 284 R HA 0.038 4.378 4.340 -0.000 0.000 0.223 284 R C 1.907 178.013 176.300 -0.323 0.000 1.092 284 R CA 1.681 57.532 56.100 -0.415 0.000 0.989 284 R CB -0.714 29.352 30.300 -0.390 0.000 0.876 284 R HN 0.543 nan 8.270 nan 0.000 0.457 285 H N -0.983 117.860 119.070 -0.380 0.000 2.370 285 H HA 0.114 4.670 4.556 -0.001 0.000 0.304 285 H C 1.361 176.462 175.328 -0.379 0.000 1.055 285 H CA 0.771 56.590 56.048 -0.381 0.000 1.373 285 H CB -0.039 29.410 29.762 -0.521 0.000 1.423 285 H HN 0.022 nan 8.280 nan 0.000 0.533 286 F N 1.921 121.661 119.950 -0.351 0.000 2.147 286 F HA -0.194 4.332 4.527 -0.001 0.000 0.301 286 F C 2.054 177.743 175.800 -0.184 0.000 1.084 286 F CA 1.410 59.203 58.000 -0.345 0.000 1.268 286 F CB -0.372 38.284 39.000 -0.573 0.000 1.009 286 F HN 0.237 nan 8.300 nan 0.000 0.486 287 E N -0.942 119.245 120.200 -0.022 0.000 2.515 287 E HA -0.185 4.165 4.350 -0.000 0.000 0.201 287 E C 1.577 178.184 176.600 0.012 0.000 1.071 287 E CA 0.426 56.853 56.400 0.045 0.000 0.880 287 E CB -0.069 29.656 29.700 0.043 0.000 0.828 287 E HN 0.382 nan 8.360 nan 0.000 0.540 288 Q N -0.880 118.928 119.800 0.012 0.000 2.280 288 Q HA 0.169 4.508 4.340 -0.000 0.000 0.244 288 Q C 0.294 176.353 176.000 0.098 0.000 0.847 288 Q CA 0.021 55.847 55.803 0.038 0.000 0.945 288 Q CB 0.667 29.425 28.738 0.034 0.000 1.115 288 Q HN 0.127 nan 8.270 nan 0.000 0.513 289 M N 0.859 120.517 119.600 0.096 0.000 2.219 289 M HA 0.069 4.549 4.480 -0.000 0.000 0.307 289 M C 0.137 176.618 176.300 0.301 0.000 1.116 289 M CA 0.629 56.028 55.300 0.165 0.000 1.181 289 M CB 0.229 32.864 32.600 0.059 0.000 1.410 289 M HN -0.114 nan 8.290 nan 0.000 0.454 290 K N 0.832 121.385 120.400 0.256 0.000 2.154 290 K HA 0.114 4.434 4.320 -0.000 0.000 0.264 290 K C -0.554 176.081 176.600 0.059 0.000 1.008 290 K CA -0.636 55.740 56.287 0.149 0.000 0.937 290 K CB 0.413 32.972 32.500 0.097 0.000 1.002 290 K HN 0.495 nan 8.250 nan 0.000 0.469 291 D N 1.635 121.891 120.400 -0.239 0.000 2.571 291 D HA -0.139 4.500 4.640 -0.000 0.000 0.231 291 D C -0.228 176.071 176.300 -0.003 0.000 1.133 291 D CA 1.077 54.966 54.000 -0.185 0.000 0.862 291 D CB 0.213 40.841 40.800 -0.287 0.000 1.179 291 D HN 0.494 nan 8.370 nan 0.000 0.474 292 D N 1.072 121.506 120.400 0.056 0.000 2.772 292 D HA -0.195 4.445 4.640 -0.000 0.000 0.233 292 D C -0.843 175.524 176.300 0.112 0.000 1.143 292 D CA 0.971 55.018 54.000 0.079 0.000 0.700 292 D CB -1.161 39.665 40.800 0.044 0.000 1.076 292 D HN 0.527 nan 8.370 nan 0.000 0.430 293 A N 0.528 123.444 122.820 0.160 0.000 2.409 293 A HA 0.471 4.791 4.320 -0.000 0.000 0.262 293 A C 0.817 178.536 177.584 0.226 0.000 1.113 293 A CA -0.184 51.989 52.037 0.226 0.000 0.790 293 A CB 0.445 19.620 19.000 0.293 0.000 1.046 293 A HN 0.345 nan 8.150 nan 0.000 0.496 294 I N 3.731 124.440 120.570 0.231 0.000 2.308 294 I HA 0.166 4.335 4.170 -0.000 0.000 0.293 294 I C -0.468 175.807 176.117 0.263 0.000 1.078 294 I CA -0.154 61.266 61.300 0.200 0.000 1.292 294 I CB 0.864 38.947 38.000 0.139 0.000 1.423 294 I HN 0.266 nan 8.210 nan 0.000 0.493 295 V N 6.672 126.729 119.914 0.238 0.000 2.427 295 V HA 0.490 4.610 4.120 -0.000 0.000 0.286 295 V C -0.060 176.148 176.094 0.190 0.000 1.034 295 V CA -0.375 62.069 62.300 0.240 0.000 0.893 295 V CB 1.526 33.504 31.823 0.257 0.000 0.982 295 V HN 0.979 nan 8.190 nan 0.000 0.452 296 C N 2.984 122.386 119.300 0.171 0.000 3.171 296 C HA 0.802 5.261 4.460 -0.000 0.000 0.336 296 C C -0.969 174.088 174.990 0.111 0.000 1.198 296 C CA -1.091 58.004 59.018 0.128 0.000 1.319 296 C CB 0.933 28.737 27.740 0.106 0.000 1.682 296 C HN 0.897 nan 8.230 nan 0.000 0.497 297 N N 0.713 119.470 118.700 0.094 0.000 2.272 297 N HA 0.693 5.433 4.740 -0.000 0.000 0.305 297 N C -0.517 175.031 175.510 0.063 0.000 1.103 297 N CA -0.834 52.263 53.050 0.078 0.000 0.791 297 N CB 1.810 40.346 38.487 0.080 0.000 1.356 297 N HN 0.944 nan 8.380 nan 0.000 0.486 298 I N 0.710 121.311 120.570 0.052 0.000 4.327 298 I HA 0.458 4.628 4.170 -0.000 0.000 0.331 298 I C 0.643 176.781 176.117 0.035 0.000 1.348 298 I CA -0.355 60.969 61.300 0.039 0.000 1.152 298 I CB 0.053 38.078 38.000 0.043 0.000 1.151 298 I HN 0.671 nan 8.210 nan 0.000 0.410 299 G N -0.321 108.504 108.800 0.043 0.000 2.544 299 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.242 299 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.242 299 G C 0.485 175.414 174.900 0.049 0.000 1.247 299 G CA 0.136 45.265 45.100 0.048 0.000 0.840 299 G HN 0.372 nan 8.290 nan 0.000 0.578 300 H N 1.505 120.520 119.070 -0.092 0.000 2.306 300 H HA -0.166 4.389 4.556 -0.001 0.000 0.289 300 H C 0.598 175.798 175.328 -0.214 0.000 1.081 300 H CA 1.614 57.532 56.048 -0.216 0.000 1.163 300 H CB -0.387 29.109 29.762 -0.444 0.000 1.357 300 H HN 0.334 nan 8.280 nan 0.000 0.524 301 F N 0.912 120.783 119.950 -0.131 0.000 2.370 301 F HA 0.157 4.684 4.527 -0.000 0.000 0.319 301 F C 0.605 176.355 175.800 -0.083 0.000 1.129 301 F CA -0.612 57.272 58.000 -0.193 0.000 1.109 301 F CB 0.452 39.388 39.000 -0.107 0.000 1.262 301 F HN 0.304 nan 8.300 nan 0.000 0.534 302 D N 0.968 121.461 120.400 0.155 0.000 2.524 302 D HA 0.242 4.882 4.640 -0.000 0.000 0.222 302 D C 0.320 176.668 176.300 0.081 0.000 1.142 302 D CA -0.042 54.016 54.000 0.096 0.000 0.973 302 D CB 0.717 41.563 40.800 0.077 0.000 1.025 302 D HN 0.396 nan 8.370 nan 0.000 0.519 303 V N -1.821 118.145 119.914 0.087 0.000 3.382 303 V HA 0.094 4.214 4.120 -0.000 0.000 0.296 303 V C 1.393 177.521 176.094 0.057 0.000 1.529 303 V CA -0.225 62.111 62.300 0.060 0.000 1.048 303 V CB 0.303 32.157 31.823 0.051 0.000 0.878 303 V HN 0.182 nan 8.190 nan 0.000 0.442 304 E N 1.758 121.998 120.200 0.065 0.000 2.112 304 E HA 0.194 4.544 4.350 -0.000 0.000 0.190 304 E C 0.357 176.985 176.600 0.047 0.000 0.979 304 E CA 0.849 57.280 56.400 0.052 0.000 0.814 304 E CB 0.563 30.296 29.700 0.056 0.000 0.762 304 E HN 0.583 nan 8.360 nan 0.000 0.460 305 I N 1.956 122.571 120.570 0.076 0.000 2.433 305 I HA 0.101 4.271 4.170 -0.000 0.000 0.292 305 I C -0.496 175.711 176.117 0.151 0.000 1.001 305 I CA -0.761 60.604 61.300 0.108 0.000 1.119 305 I CB 1.890 39.987 38.000 0.161 0.000 1.289 305 I HN -0.250 nan 8.210 nan 0.000 0.438 306 D N 5.412 125.930 120.400 0.197 0.000 2.402 306 D HA 0.169 4.809 4.640 -0.000 0.000 0.235 306 D C 0.692 177.140 176.300 0.247 0.000 1.226 306 D CA 0.177 54.301 54.000 0.206 0.000 0.918 306 D CB 1.054 41.965 40.800 0.185 0.000 1.043 306 D HN 0.229 nan 8.370 nan 0.000 0.506 307 V N 3.792 123.790 119.914 0.140 0.000 2.725 307 V HA -0.132 3.987 4.120 -0.000 0.000 0.247 307 V C 2.010 178.116 176.094 0.020 0.000 1.058 307 V CA 1.038 63.362 62.300 0.041 0.000 1.080 307 V CB -0.200 31.667 31.823 0.073 0.000 0.713 307 V HN 0.399 nan 8.190 nan 0.000 0.465 308 K N -0.282 120.161 120.400 0.071 0.000 2.063 308 K HA -0.250 4.070 4.320 -0.000 0.000 0.208 308 K C 1.698 178.313 176.600 0.026 0.000 1.048 308 K CA 1.999 58.313 56.287 0.045 0.000 0.928 308 K CB -0.583 31.950 32.500 0.055 0.000 0.713 308 K HN 0.596 nan 8.250 nan 0.000 0.442 309 W N 1.409 122.657 121.300 -0.086 0.000 2.315 309 W HA -0.215 4.444 4.660 -0.001 0.000 0.323 309 W C 1.590 177.974 176.519 -0.225 0.000 1.233 309 W CA 1.568 58.848 57.345 -0.108 0.000 1.267 309 W CB -0.373 29.060 29.460 -0.046 0.000 1.160 309 W HN -0.014 nan 8.180 nan 0.000 0.474 310 L N 0.909 122.139 121.223 0.012 0.000 2.051 310 L HA -0.336 4.004 4.340 -0.000 0.000 0.214 310 L C 1.942 178.534 176.870 -0.463 0.000 1.076 310 L CA 1.871 56.431 54.840 -0.465 0.000 0.758 310 L CB -0.885 40.525 42.059 -1.082 0.000 0.890 310 L HN 0.139 nan 8.230 nan 0.000 0.433 311 N N -0.499 118.060 118.700 -0.234 0.000 2.459 311 N HA -0.128 4.612 4.740 -0.000 0.000 0.181 311 N C 1.359 176.794 175.510 -0.125 0.000 1.046 311 N CA 0.856 53.880 53.050 -0.043 0.000 0.904 311 N CB 0.068 38.576 38.487 0.035 0.000 0.964 311 N HN 0.464 nan 8.380 nan 0.000 0.444 312 E N -0.661 119.383 120.200 -0.260 0.000 2.473 312 E HA 0.229 4.579 4.350 -0.000 0.000 0.204 312 E C 0.701 177.038 176.600 -0.439 0.000 0.994 312 E CA -0.024 56.207 56.400 -0.282 0.000 0.945 312 E CB 0.402 29.956 29.700 -0.243 0.000 0.990 312 E HN 0.336 nan 8.360 nan 0.000 0.493 313 N N 0.115 118.388 118.700 -0.712 0.000 2.317 313 N HA 0.133 4.873 4.740 -0.000 0.000 0.199 313 N C 0.167 175.357 175.510 -0.534 0.000 1.145 313 N CA -0.044 52.503 53.050 -0.838 0.000 0.882 313 N CB 1.019 38.418 38.487 -1.813 0.000 1.113 313 N HN -0.078 nan 8.380 nan 0.000 0.486 314 A N 1.152 123.733 122.820 -0.398 0.000 2.462 314 A HA 0.216 4.536 4.320 -0.000 0.000 0.243 314 A C 1.478 179.021 177.584 -0.068 0.000 1.076 314 A CA -0.152 51.805 52.037 -0.134 0.000 0.773 314 A CB 0.549 19.591 19.000 0.071 0.000 1.010 314 A HN -0.030 nan 8.150 nan 0.000 0.493 315 V N 1.380 121.278 119.914 -0.026 0.000 2.548 315 V HA 0.008 4.128 4.120 -0.000 0.000 0.249 315 V C 1.018 177.110 176.094 -0.004 0.000 1.055 315 V CA 2.111 64.399 62.300 -0.020 0.000 1.065 315 V CB -0.876 30.944 31.823 -0.005 0.000 0.681 315 V HN 0.925 nan 8.190 nan 0.000 0.462 316 E N -0.291 119.921 120.200 0.021 0.000 2.372 316 E HA 0.480 4.830 4.350 -0.000 0.000 0.279 316 E C -1.053 175.543 176.600 -0.007 0.000 0.946 316 E CA -0.748 55.654 56.400 0.003 0.000 0.769 316 E CB 2.068 31.765 29.700 -0.005 0.000 1.230 316 E HN 0.178 nan 8.360 nan 0.000 0.442 317 K N 3.110 123.463 120.400 -0.080 0.000 2.471 317 K HA 0.522 4.841 4.320 -0.000 0.000 0.252 317 K C -1.904 174.570 176.600 -0.211 0.000 0.938 317 K CA -0.651 55.486 56.287 -0.250 0.000 0.796 317 K CB 1.765 34.083 32.500 -0.304 0.000 1.161 317 K HN 0.265 nan 8.250 nan 0.000 0.425 318 V N 3.536 123.308 119.914 -0.236 0.000 2.656 318 V HA 0.319 4.439 4.120 -0.000 0.000 0.307 318 V C -0.455 175.537 176.094 -0.170 0.000 1.051 318 V CA -1.128 61.081 62.300 -0.153 0.000 0.893 318 V CB 1.774 33.540 31.823 -0.096 0.000 0.999 318 V HN 0.864 nan 8.190 nan 0.000 0.426 319 N N 3.796 122.423 118.700 -0.122 0.000 2.420 319 N HA 0.146 4.886 4.740 -0.000 0.000 0.249 319 N C 0.421 175.888 175.510 -0.071 0.000 1.033 319 N CA -0.554 52.434 53.050 -0.103 0.000 0.944 319 N CB 1.310 39.752 38.487 -0.076 0.000 1.113 319 N HN 0.508 nan 8.380 nan 0.000 0.502 320 I N 3.249 123.779 120.570 -0.066 0.000 2.163 320 I HA -0.136 4.034 4.170 -0.000 0.000 0.240 320 I C 1.150 177.246 176.117 -0.035 0.000 1.081 320 I CA 1.603 62.878 61.300 -0.043 0.000 1.353 320 I CB -1.026 36.954 38.000 -0.033 0.000 1.054 320 I HN 0.719 nan 8.210 nan 0.000 0.407 321 K N -1.047 119.330 120.400 -0.038 0.000 2.617 321 K HA 0.398 4.718 4.320 -0.000 0.000 0.293 321 K C -3.133 173.442 176.600 -0.043 0.000 1.034 321 K CA -1.605 54.663 56.287 -0.031 0.000 0.884 321 K CB 0.852 33.339 32.500 -0.022 0.000 1.541 321 K HN -0.353 nan 8.250 nan 0.000 0.409 322 P HA 0.007 nan 4.420 nan 0.000 0.261 322 P C -0.892 176.344 177.300 -0.106 0.000 1.183 322 P CA 0.790 63.854 63.100 -0.059 0.000 0.761 322 P CB 0.321 32.004 31.700 -0.029 0.000 0.785 323 Q N -0.381 119.316 119.800 -0.172 0.000 2.465 323 Q HA -0.123 4.217 4.340 -0.000 0.000 0.248 323 Q C -0.868 175.066 176.000 -0.110 0.000 0.819 323 Q CA 0.965 56.635 55.803 -0.221 0.000 1.219 323 Q CB -2.076 26.509 28.738 -0.255 0.000 1.472 323 Q HN 0.290 nan 8.270 nan 0.000 0.630 324 V N 0.855 120.722 119.914 -0.078 0.000 2.509 324 V HA 0.466 4.585 4.120 -0.000 0.000 0.289 324 V C -0.496 175.558 176.094 -0.066 0.000 1.026 324 V CA -0.852 61.420 62.300 -0.046 0.000 0.872 324 V CB 2.043 33.846 31.823 -0.033 0.000 1.017 324 V HN 0.125 nan 8.190 nan 0.000 0.436 325 D N 3.543 123.898 120.400 -0.075 0.000 2.481 325 D HA 0.546 5.186 4.640 -0.000 0.000 0.244 325 D C -0.525 175.658 176.300 -0.194 0.000 1.057 325 D CA -0.807 53.072 54.000 -0.200 0.000 0.848 325 D CB 3.168 43.762 40.800 -0.343 0.000 1.388 325 D HN 0.382 nan 8.370 nan 0.000 0.475 326 R N 1.782 122.137 120.500 -0.241 0.000 2.337 326 R HA 0.289 4.629 4.340 -0.000 0.000 0.319 326 R C -1.344 174.842 176.300 -0.190 0.000 0.954 326 R CA -0.409 55.623 56.100 -0.114 0.000 0.840 326 R CB 0.282 30.552 30.300 -0.050 0.000 1.164 326 R HN 0.316 nan 8.270 nan 0.000 0.472 327 Y N 3.086 123.383 120.300 -0.005 0.000 2.316 327 Y HA 0.369 4.919 4.550 -0.000 0.000 0.324 327 Y C -0.213 175.691 175.900 0.007 0.000 1.267 327 Y CA -0.683 57.407 58.100 -0.016 0.000 1.311 327 Y CB 1.058 39.491 38.460 -0.045 0.000 1.267 327 Y HN 0.351 nan 8.280 nan 0.000 0.516 328 L N 3.453 124.776 121.223 0.166 0.000 2.372 328 L HA 0.473 4.813 4.340 -0.000 0.000 0.274 328 L C -1.367 175.563 176.870 0.100 0.000 0.988 328 L CA -0.705 54.201 54.840 0.111 0.000 0.833 328 L CB 0.555 42.651 42.059 0.061 0.000 1.236 328 L HN 0.522 nan 8.230 nan 0.000 0.410 329 L N 4.532 125.821 121.223 0.111 0.000 2.399 329 L HA 0.401 4.740 4.340 -0.000 0.000 0.265 329 L C 1.320 178.223 176.870 0.054 0.000 1.089 329 L CA -0.718 54.174 54.840 0.086 0.000 0.802 329 L CB 1.043 43.179 42.059 0.129 0.000 1.180 329 L HN 0.642 nan 8.230 nan 0.000 0.454 330 K N 0.855 121.273 120.400 0.029 0.000 2.515 330 K HA -0.119 4.200 4.320 -0.000 0.000 0.196 330 K C 0.804 177.410 176.600 0.011 0.000 1.038 330 K CA 0.985 57.281 56.287 0.015 0.000 0.967 330 K CB -0.266 32.235 32.500 0.002 0.000 0.780 330 K HN 0.580 nan 8.250 nan 0.000 0.483 331 N N -0.060 118.636 118.700 -0.006 0.000 2.280 331 N HA 0.047 4.786 4.740 -0.000 0.000 0.192 331 N C 1.109 176.616 175.510 -0.005 0.000 1.109 331 N CA 0.662 53.675 53.050 -0.061 0.000 0.855 331 N CB 0.781 39.151 38.487 -0.195 0.000 0.974 331 N HN 0.246 nan 8.380 nan 0.000 0.482 332 G N -0.539 108.304 108.800 0.071 0.000 2.284 332 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.230 332 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.230 332 G C -0.165 174.888 174.900 0.254 0.000 1.021 332 G CA 0.037 45.229 45.100 0.154 0.000 0.619 332 G HN 0.616 nan 8.290 nan 0.000 0.510 333 H N 1.050 120.161 119.070 0.069 0.000 2.871 333 H HA 0.470 5.026 4.556 -0.000 0.000 0.355 333 H C 0.670 176.052 175.328 0.090 0.000 1.092 333 H CA -0.169 55.927 56.048 0.079 0.000 1.420 333 H CB 0.529 30.345 29.762 0.089 0.000 1.400 333 H HN 0.175 nan 8.280 nan 0.000 0.604 334 R N 1.612 122.228 120.500 0.194 0.000 2.540 334 R HA 0.377 4.717 4.340 -0.000 0.000 0.287 334 R C -0.678 175.727 176.300 0.173 0.000 0.980 334 R CA -0.555 55.639 56.100 0.156 0.000 0.966 334 R CB 0.968 31.328 30.300 0.100 0.000 1.106 334 R HN 0.456 nan 8.270 nan 0.000 0.480 335 I N 3.833 124.520 120.570 0.194 0.000 2.468 335 I HA 0.312 4.482 4.170 -0.000 0.000 0.285 335 I C -0.350 175.907 176.117 0.232 0.000 1.039 335 I CA -0.589 60.834 61.300 0.205 0.000 1.074 335 I CB 1.571 39.670 38.000 0.165 0.000 1.228 335 I HN 0.558 nan 8.210 nan 0.000 0.436 336 I N 6.183 126.866 120.570 0.188 0.000 2.294 336 I HA 0.179 4.349 4.170 -0.000 0.000 0.295 336 I C 0.049 176.277 176.117 0.184 0.000 1.098 336 I CA -0.354 61.042 61.300 0.160 0.000 1.277 336 I CB 0.819 38.887 38.000 0.112 0.000 1.434 336 I HN 0.250 nan 8.210 nan 0.000 0.498 337 L N 7.860 129.219 121.223 0.227 0.000 2.290 337 L HA 0.458 4.797 4.340 -0.000 0.000 0.284 337 L C -0.386 176.566 176.870 0.136 0.000 1.078 337 L CA -0.325 54.648 54.840 0.221 0.000 0.815 337 L CB 1.232 43.505 42.059 0.357 0.000 1.162 337 L HN 0.529 nan 8.230 nan 0.000 0.435 338 L N 5.032 126.322 121.223 0.113 0.000 2.309 338 L HA 0.431 4.771 4.340 -0.000 0.000 0.282 338 L C 1.137 178.029 176.870 0.036 0.000 1.036 338 L CA -0.547 54.328 54.840 0.059 0.000 0.806 338 L CB 1.508 43.604 42.059 0.063 0.000 1.220 338 L HN 0.835 nan 8.230 nan 0.000 0.429 339 A N 2.467 125.262 122.820 -0.041 0.000 2.783 339 A HA -0.233 4.087 4.320 -0.000 0.000 0.292 339 A C 0.953 178.522 177.584 -0.024 0.000 1.495 339 A CA 1.177 53.144 52.037 -0.116 0.000 0.787 339 A CB -1.743 17.239 19.000 -0.030 0.000 1.017 339 A HN 0.969 nan 8.150 nan 0.000 0.516 340 E N -3.480 116.727 120.200 0.012 0.000 2.494 340 E HA -0.329 4.020 4.350 -0.000 0.000 0.249 340 E C 1.446 178.141 176.600 0.158 0.000 1.184 340 E CA 1.662 58.133 56.400 0.119 0.000 0.727 340 E CB -1.684 28.131 29.700 0.192 0.000 1.281 340 E HN 2.470 nan 8.360 nan 0.000 0.405 341 G N -0.338 108.543 108.800 0.136 0.000 2.268 341 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.240 341 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.240 341 G C 0.486 175.461 174.900 0.125 0.000 1.010 341 G CA 0.467 45.647 45.100 0.133 0.000 0.618 341 G HN 0.295 nan 8.290 nan 0.000 0.516 342 R N 0.028 120.621 120.500 0.156 0.000 2.652 342 R HA 0.535 4.874 4.340 -0.000 0.000 0.272 342 R C 0.498 176.865 176.300 0.113 0.000 1.162 342 R CA -0.831 55.356 56.100 0.145 0.000 1.199 342 R CB 0.144 30.588 30.300 0.241 0.000 1.166 342 R HN 0.161 nan 8.270 nan 0.000 0.597 343 L N 0.908 122.178 121.223 0.078 0.000 2.667 343 L HA -0.156 4.184 4.340 -0.000 0.000 0.296 343 L C 1.434 178.333 176.870 0.049 0.000 1.252 343 L CA 0.746 55.610 54.840 0.039 0.000 0.891 343 L CB 0.171 42.221 42.059 -0.016 0.000 1.141 343 L HN 0.526 nan 8.230 nan 0.000 0.501 344 V N 3.675 123.611 119.914 0.035 0.000 2.492 344 V HA -0.090 4.030 4.120 -0.000 0.000 0.241 344 V C 1.939 178.049 176.094 0.027 0.000 1.041 344 V CA 1.275 63.597 62.300 0.037 0.000 1.057 344 V CB -0.127 31.726 31.823 0.051 0.000 0.711 344 V HN 1.109 nan 8.190 nan 0.000 0.468 345 N N 0.498 119.210 118.700 0.020 0.000 2.188 345 N HA -0.161 4.578 4.740 -0.000 0.000 0.184 345 N C 1.706 177.214 175.510 -0.004 0.000 1.018 345 N CA 1.883 54.947 53.050 0.023 0.000 0.858 345 N CB -0.610 37.900 38.487 0.039 0.000 0.989 345 N HN 0.478 nan 8.380 nan 0.000 0.426 346 L N -0.292 120.900 121.223 -0.052 0.000 2.168 346 L HA 0.203 4.543 4.340 -0.000 0.000 0.203 346 L C 2.444 179.328 176.870 0.025 0.000 1.078 346 L CA 1.023 55.826 54.840 -0.062 0.000 0.780 346 L CB -0.442 41.485 42.059 -0.219 0.000 0.939 346 L HN 0.327 nan 8.230 nan 0.000 0.451 347 G N -2.165 106.666 108.800 0.052 0.000 2.650 347 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.214 347 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.214 347 G C 1.300 176.213 174.900 0.022 0.000 1.136 347 G CA 0.539 45.702 45.100 0.105 0.000 0.789 347 G HN 0.396 nan 8.290 nan 0.000 0.536 348 C N -0.899 118.411 119.300 0.016 0.000 3.270 348 C HA 0.761 5.221 4.460 -0.000 0.000 0.369 348 C C 1.308 176.314 174.990 0.027 0.000 1.326 348 C CA 0.414 59.434 59.018 0.003 0.000 1.846 348 C CB -0.165 27.575 27.740 0.000 0.000 2.534 348 C HN 0.552 nan 8.230 nan 0.000 0.649 349 A N -0.461 122.383 122.820 0.040 0.000 2.504 349 A HA 0.695 5.015 4.320 -0.000 0.000 0.285 349 A C 0.127 177.748 177.584 0.061 0.000 1.261 349 A CA -0.219 51.851 52.037 0.054 0.000 0.741 349 A CB 0.290 19.325 19.000 0.058 0.000 1.327 349 A HN 0.043 nan 8.150 nan 0.000 0.441 350 M N 1.289 120.933 119.600 0.074 0.000 2.704 350 M HA 0.203 4.683 4.480 -0.000 0.000 0.215 350 M C 1.105 177.449 176.300 0.072 0.000 1.156 350 M CA 1.075 56.424 55.300 0.082 0.000 1.002 350 M CB -1.852 30.807 32.600 0.098 0.000 1.781 350 M HN 1.371 nan 8.290 nan 0.000 0.486 351 G N 0.821 109.647 108.800 0.043 0.000 2.806 351 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.236 351 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.236 351 G C -0.480 174.478 174.900 0.098 0.000 1.387 351 G CA -0.450 44.647 45.100 -0.006 0.000 0.884 351 G HN 0.678 nan 8.290 nan 0.000 0.560 352 H N 1.072 120.163 119.070 0.035 0.000 2.983 352 H HA 0.247 4.803 4.556 -0.001 0.000 0.361 352 H C -1.663 173.704 175.328 0.066 0.000 1.145 352 H CA -0.203 55.873 56.048 0.046 0.000 1.404 352 H CB 0.123 29.900 29.762 0.025 0.000 1.356 352 H HN 0.413 nan 8.280 nan 0.000 0.612 353 P HA -0.044 nan 4.420 nan 0.000 0.274 353 P C 0.527 177.932 177.300 0.176 0.000 1.246 353 P CA -0.280 62.923 63.100 0.171 0.000 0.795 353 P CB 0.802 32.593 31.700 0.153 0.000 1.006 354 S N 0.220 116.025 115.700 0.174 0.000 2.382 354 S HA -0.214 4.256 4.470 -0.000 0.000 0.228 354 S C 1.843 176.558 174.600 0.190 0.000 1.027 354 S CA 0.869 59.172 58.200 0.172 0.000 0.991 354 S CB -1.566 61.731 63.200 0.163 0.000 0.823 354 S HN 0.397 nan 8.310 nan 0.000 0.469 355 F N 2.049 122.052 119.950 0.087 0.000 2.095 355 F HA -0.065 4.462 4.527 -0.000 0.000 0.298 355 F C 2.478 178.334 175.800 0.093 0.000 1.104 355 F CA 1.744 59.810 58.000 0.110 0.000 1.232 355 F CB -0.604 38.451 39.000 0.092 0.000 0.987 355 F HN 0.177 nan 8.300 nan 0.000 0.475 356 V N 0.367 120.423 119.914 0.238 0.000 2.809 356 V HA -0.207 3.913 4.120 -0.000 0.000 0.256 356 V C 1.979 178.024 176.094 -0.081 0.000 1.080 356 V CA 1.347 63.698 62.300 0.086 0.000 1.102 356 V CB -0.250 31.662 31.823 0.148 0.000 0.705 356 V HN 0.353 nan 8.190 nan 0.000 0.475 357 M N -0.485 119.063 119.600 -0.088 0.000 2.419 357 M HA 0.018 4.497 4.480 -0.000 0.000 0.264 357 M C 2.383 178.449 176.300 -0.391 0.000 1.082 357 M CA 1.673 56.764 55.300 -0.348 0.000 1.119 357 M CB -1.330 31.113 32.600 -0.262 0.000 1.398 357 M HN 0.492 nan 8.290 nan 0.000 0.453 358 S N 0.514 116.151 115.700 -0.105 0.000 2.423 358 S HA -0.114 4.356 4.470 -0.000 0.000 0.231 358 S C 1.711 176.306 174.600 -0.008 0.000 1.014 358 S CA 1.312 59.559 58.200 0.078 0.000 0.965 358 S CB -0.073 63.251 63.200 0.207 0.000 0.785 358 S HN 0.432 nan 8.310 nan 0.000 0.495 359 N N 1.110 119.615 118.700 -0.326 0.000 2.080 359 N HA 0.044 4.784 4.740 -0.000 0.000 0.189 359 N C 1.937 177.309 175.510 -0.230 0.000 1.036 359 N CA 1.682 54.450 53.050 -0.470 0.000 0.846 359 N CB -0.519 37.646 38.487 -0.536 0.000 1.015 359 N HN 0.294 nan 8.380 nan 0.000 0.423 360 S N -0.009 115.546 115.700 -0.242 0.000 2.368 360 S HA -0.037 4.432 4.470 -0.000 0.000 0.225 360 S C 1.460 176.052 174.600 -0.014 0.000 1.030 360 S CA 0.779 58.871 58.200 -0.179 0.000 0.999 360 S CB -0.326 62.692 63.200 -0.303 0.000 0.844 360 S HN 0.255 nan 8.310 nan 0.000 0.459 361 F N 1.969 121.927 119.950 0.012 0.000 2.407 361 F HA 0.046 4.573 4.527 -0.001 0.000 0.299 361 F C 2.597 178.408 175.800 0.018 0.000 1.097 361 F CA 0.283 58.296 58.000 0.020 0.000 1.422 361 F CB -1.631 37.379 39.000 0.016 0.000 1.067 361 F HN 0.131 nan 8.300 nan 0.000 0.539 362 T N -0.275 114.389 114.554 0.184 0.000 2.812 362 T HA -0.126 4.224 4.350 -0.000 0.000 0.264 362 T C 1.940 176.696 174.700 0.093 0.000 1.042 362 T CA 1.112 63.291 62.100 0.132 0.000 1.140 362 T CB -0.241 68.702 68.868 0.125 0.000 0.870 362 T HN 0.234 nan 8.240 nan 0.000 0.445 363 N N 1.083 119.821 118.700 0.063 0.000 2.149 363 N HA -0.107 4.633 4.740 -0.000 0.000 0.188 363 N C 2.027 177.574 175.510 0.062 0.000 1.019 363 N CA 0.913 53.991 53.050 0.047 0.000 0.857 363 N CB -0.106 38.396 38.487 0.024 0.000 0.997 363 N HN 0.405 nan 8.380 nan 0.000 0.426 364 Q N 0.692 120.557 119.800 0.108 0.000 2.079 364 Q HA -0.032 4.308 4.340 -0.000 0.000 0.200 364 Q C 2.371 178.411 176.000 0.066 0.000 0.974 364 Q CA 0.752 56.619 55.803 0.107 0.000 0.840 364 Q CB -0.348 28.509 28.738 0.198 0.000 0.898 364 Q HN 0.220 nan 8.270 nan 0.000 0.430 365 V N 1.003 120.959 119.914 0.070 0.000 2.307 365 V HA -0.273 3.847 4.120 -0.000 0.000 0.245 365 V C 2.431 178.527 176.094 0.003 0.000 1.045 365 V CA 1.612 63.929 62.300 0.029 0.000 1.024 365 V CB -0.551 31.296 31.823 0.039 0.000 0.651 365 V HN 0.310 nan 8.190 nan 0.000 0.449 366 M N -0.098 119.513 119.600 0.018 0.000 2.073 366 M HA -0.222 4.257 4.480 -0.000 0.000 0.258 366 M C 2.385 178.689 176.300 0.006 0.000 1.070 366 M CA 2.421 57.724 55.300 0.005 0.000 1.103 366 M CB -0.601 32.018 32.600 0.032 0.000 1.321 366 M HN 0.405 nan 8.290 nan 0.000 0.405 367 A N -0.454 122.369 122.820 0.005 0.000 1.940 367 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 367 A C 2.042 179.610 177.584 -0.027 0.000 1.176 367 A CA 1.481 53.501 52.037 -0.029 0.000 0.631 367 A CB -0.636 18.345 19.000 -0.033 0.000 0.814 367 A HN 0.512 nan 8.150 nan 0.000 0.446 368 Q N -0.414 119.385 119.800 -0.002 0.000 2.079 368 Q HA -0.049 4.291 4.340 -0.000 0.000 0.200 368 Q C 2.114 178.150 176.000 0.060 0.000 0.974 368 Q CA 1.305 57.113 55.803 0.008 0.000 0.840 368 Q CB -0.365 28.366 28.738 -0.012 0.000 0.898 368 Q HN 0.802 nan 8.270 nan 0.000 0.430 369 I N 0.856 121.449 120.570 0.039 0.000 2.394 369 I HA -0.211 3.959 4.170 -0.000 0.000 0.251 369 I C 2.120 178.348 176.117 0.186 0.000 1.136 369 I CA 0.734 62.078 61.300 0.073 0.000 1.425 369 I CB -0.126 37.832 38.000 -0.071 0.000 1.079 369 I HN 0.105 nan 8.210 nan 0.000 0.425 370 E N 0.672 120.968 120.200 0.160 0.000 2.015 370 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 370 E C 2.244 179.073 176.600 0.381 0.000 0.991 370 E CA 1.078 57.644 56.400 0.275 0.000 0.802 370 E CB -0.386 29.400 29.700 0.144 0.000 0.759 370 E HN 0.235 nan 8.360 nan 0.000 0.447 371 L N 0.389 121.700 121.223 0.146 0.000 2.042 371 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 371 L C 2.134 179.193 176.870 0.314 0.000 1.076 371 L CA 1.521 56.469 54.840 0.181 0.000 0.749 371 L CB -1.119 40.969 42.059 0.047 0.000 0.893 371 L HN 0.350 nan 8.230 nan 0.000 0.432 372 W N -0.055 121.284 121.300 0.065 0.000 2.413 372 W HA -0.211 4.449 4.660 -0.000 0.000 0.315 372 W C 2.245 178.787 176.519 0.039 0.000 1.186 372 W CA 1.612 58.977 57.345 0.034 0.000 1.326 372 W CB -0.085 29.373 29.460 -0.004 0.000 1.153 372 W HN 0.087 nan 8.180 nan 0.000 0.489 373 T N -0.205 114.426 114.554 0.128 0.000 2.720 373 T HA -0.216 4.134 4.350 -0.000 0.000 0.268 373 T C -0.352 174.196 174.700 -0.254 0.000 1.037 373 T CA 1.439 63.481 62.100 -0.097 0.000 1.144 373 T CB -0.409 68.453 68.868 -0.010 0.000 0.864 373 T HN 0.085 nan 8.240 nan 0.000 0.444 374 H N 0.088 119.174 119.070 0.027 0.000 2.530 374 H HA 0.279 4.834 4.556 -0.001 0.000 0.246 374 H C -1.890 173.467 175.328 0.049 0.000 1.346 374 H CA -2.444 53.599 56.048 -0.007 0.000 1.424 374 H CB 0.887 30.627 29.762 -0.038 0.000 1.445 374 H HN 0.131 nan 8.280 nan 0.000 0.511 375 P HA -0.153 nan 4.420 nan 0.000 0.212 375 P C 0.706 178.054 177.300 0.080 0.000 1.180 375 P CA 1.171 64.318 63.100 0.077 0.000 0.906 375 P CB 0.597 32.264 31.700 -0.054 0.000 0.782 376 D N -0.044 120.359 120.400 0.006 0.000 2.309 376 D HA -0.154 4.486 4.640 -0.000 0.000 0.212 376 D C 1.822 178.087 176.300 -0.059 0.000 0.968 376 D CA 0.764 54.756 54.000 -0.013 0.000 0.882 376 D CB -0.324 40.456 40.800 -0.033 0.000 0.918 376 D HN 0.340 nan 8.370 nan 0.000 0.503 377 K N 0.289 120.619 120.400 -0.116 0.000 2.442 377 K HA -0.117 4.203 4.320 -0.000 0.000 0.198 377 K C -0.333 175.918 176.600 -0.583 0.000 1.042 377 K CA 0.464 56.545 56.287 -0.343 0.000 0.958 377 K CB 0.143 32.376 32.500 -0.445 0.000 0.766 377 K HN 0.161 nan 8.250 nan 0.000 0.474 378 Y N 1.528 121.781 120.300 -0.078 0.000 2.526 378 Y HA 0.321 4.871 4.550 -0.000 0.000 0.328 378 Y C -2.292 173.622 175.900 0.024 0.000 0.995 378 Y CA -2.674 55.341 58.100 -0.142 0.000 1.304 378 Y CB 1.421 39.858 38.460 -0.039 0.000 1.096 378 Y HN 0.086 nan 8.280 nan 0.000 0.499 379 P HA 0.042 nan 4.420 nan 0.000 0.274 379 P C -0.261 177.225 177.300 0.310 0.000 1.260 379 P CA -0.376 62.844 63.100 0.200 0.000 0.793 379 P CB 0.798 32.588 31.700 0.149 0.000 1.048 380 V N 0.264 120.283 119.914 0.176 0.000 2.673 380 V HA 0.464 4.583 4.120 -0.000 0.000 0.303 380 V C 0.984 177.116 176.094 0.063 0.000 1.046 380 V CA 1.393 63.762 62.300 0.115 0.000 1.126 380 V CB -0.570 31.298 31.823 0.076 0.000 0.934 380 V HN 1.051 nan 8.190 nan 0.000 0.487 381 G N 2.758 111.517 108.800 -0.070 0.000 2.362 381 G HA2 0.185 4.145 3.960 -0.000 0.000 0.656 381 G HA3 0.185 4.145 3.960 -0.000 0.000 0.656 381 G C -1.060 173.510 174.900 -0.549 0.000 1.376 381 G CA -0.352 44.624 45.100 -0.206 0.000 0.971 381 G HN 1.459 nan 8.290 nan 0.000 0.636 382 V N 0.726 120.344 119.914 -0.494 0.000 2.498 382 V HA 0.828 4.948 4.120 -0.000 0.000 0.279 382 V C 0.326 176.022 176.094 -0.663 0.000 1.048 382 V CA -0.067 61.871 62.300 -0.604 0.000 0.967 382 V CB 0.285 31.718 31.823 -0.650 0.000 0.988 382 V HN 0.984 nan 8.190 nan 0.000 0.473 383 H N 4.927 123.875 119.070 -0.204 0.000 2.812 383 H HA 0.724 5.280 4.556 -0.001 0.000 0.355 383 H C -1.137 174.015 175.328 -0.294 0.000 1.207 383 H CA -0.564 55.408 56.048 -0.127 0.000 1.217 383 H CB 1.432 31.258 29.762 0.106 0.000 1.874 383 H HN 0.633 nan 8.280 nan 0.000 0.581 384 F N -0.005 120.081 119.950 0.227 0.000 2.557 384 F HA 0.314 4.841 4.527 -0.001 0.000 0.336 384 F C -0.486 175.386 175.800 0.121 0.000 1.058 384 F CA -1.026 57.056 58.000 0.137 0.000 0.988 384 F CB 0.947 40.026 39.000 0.132 0.000 1.275 384 F HN 0.145 nan 8.300 nan 0.000 0.488 385 L N 4.199 125.603 121.223 0.302 0.000 2.276 385 L HA 0.427 4.766 4.340 -0.000 0.000 0.286 385 L C -2.037 174.936 176.870 0.171 0.000 1.061 385 L CA -2.835 52.113 54.840 0.180 0.000 0.807 385 L CB 0.052 42.181 42.059 0.116 0.000 1.177 385 L HN 0.294 nan 8.230 nan 0.000 0.429 386 P HA -0.096 nan 4.420 nan 0.000 0.263 386 P C 0.456 177.803 177.300 0.078 0.000 1.168 386 P CA 0.103 63.261 63.100 0.097 0.000 0.759 386 P CB 0.496 32.234 31.700 0.064 0.000 0.782 387 K N 3.376 123.818 120.400 0.070 0.000 2.218 387 K HA -0.219 4.101 4.320 -0.000 0.000 0.205 387 K C 1.776 178.411 176.600 0.059 0.000 1.046 387 K CA 1.371 57.703 56.287 0.076 0.000 0.933 387 K CB -0.076 32.478 32.500 0.089 0.000 0.728 387 K HN 0.120 nan 8.250 nan 0.000 0.454 388 K N 0.724 121.145 120.400 0.035 0.000 2.097 388 K HA -0.090 4.230 4.320 -0.000 0.000 0.206 388 K C 1.978 178.600 176.600 0.037 0.000 1.049 388 K CA 1.294 57.592 56.287 0.019 0.000 0.933 388 K CB -0.203 32.298 32.500 0.003 0.000 0.717 388 K HN 0.278 nan 8.250 nan 0.000 0.442 389 L N 0.059 121.309 121.223 0.044 0.000 2.072 389 L HA -0.165 4.174 4.340 -0.000 0.000 0.205 389 L C 1.991 178.880 176.870 0.032 0.000 1.079 389 L CA 1.079 55.947 54.840 0.047 0.000 0.752 389 L CB -0.425 41.666 42.059 0.053 0.000 0.906 389 L HN 0.098 nan 8.230 nan 0.000 0.436 390 D N 0.381 120.796 120.400 0.025 0.000 2.127 390 D HA -0.245 4.395 4.640 -0.000 0.000 0.190 390 D C 2.085 178.367 176.300 -0.030 0.000 1.000 390 D CA 1.639 55.629 54.000 -0.017 0.000 0.839 390 D CB 0.052 40.841 40.800 -0.018 0.000 0.955 390 D HN 0.326 nan 8.370 nan 0.000 0.446 391 E N -0.092 120.124 120.200 0.028 0.000 2.160 391 E HA -0.185 4.164 4.350 -0.000 0.000 0.195 391 E C 2.083 178.715 176.600 0.054 0.000 0.991 391 E CA 0.816 57.257 56.400 0.069 0.000 0.810 391 E CB -0.140 29.657 29.700 0.161 0.000 0.742 391 E HN 0.316 nan 8.360 nan 0.000 0.466 392 A N 1.120 123.969 122.820 0.048 0.000 1.902 392 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 392 A C 2.522 180.135 177.584 0.048 0.000 1.181 392 A CA 1.127 53.198 52.037 0.056 0.000 0.623 392 A CB -0.628 18.410 19.000 0.063 0.000 0.818 392 A HN 0.126 nan 8.150 nan 0.000 0.443 393 V N -0.257 119.664 119.914 0.011 0.000 2.343 393 V HA -0.229 3.890 4.120 -0.000 0.000 0.247 393 V C 3.032 179.105 176.094 -0.035 0.000 1.051 393 V CA 1.901 64.195 62.300 -0.011 0.000 1.036 393 V CB -1.142 30.615 31.823 -0.111 0.000 0.654 393 V HN 0.635 nan 8.190 nan 0.000 0.451 394 A N -0.621 122.127 122.820 -0.121 0.000 1.835 394 A HA -0.239 4.081 4.320 -0.000 0.000 0.215 394 A C 2.281 179.874 177.584 0.014 0.000 1.199 394 A CA 1.727 53.676 52.037 -0.147 0.000 0.615 394 A CB -0.669 18.240 19.000 -0.151 0.000 0.838 394 A HN 0.453 nan 8.150 nan 0.000 0.444 395 E N 0.090 120.315 120.200 0.042 0.000 2.273 395 E HA -0.194 4.156 4.350 -0.000 0.000 0.198 395 E C 1.990 178.625 176.600 0.059 0.000 1.002 395 E CA 1.139 57.575 56.400 0.061 0.000 0.828 395 E CB -0.255 29.488 29.700 0.072 0.000 0.747 395 E HN 0.517 nan 8.360 nan 0.000 0.491 396 A N -0.643 122.223 122.820 0.078 0.000 2.119 396 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 396 A C 1.318 178.847 177.584 -0.091 0.000 1.152 396 A CA 0.916 52.962 52.037 0.016 0.000 0.708 396 A CB -0.308 18.709 19.000 0.028 0.000 0.805 396 A HN 0.202 nan 8.150 nan 0.000 0.460 397 H N -1.880 117.142 119.070 -0.080 0.000 2.648 397 H HA 0.261 4.816 4.556 -0.001 0.000 0.265 397 H C 1.432 176.800 175.328 0.067 0.000 0.961 397 H CA 0.075 56.070 56.048 -0.088 0.000 1.185 397 H CB 0.218 29.806 29.762 -0.291 0.000 1.449 397 H HN 0.297 nan 8.280 nan 0.000 0.523 398 L N 0.244 121.554 121.223 0.144 0.000 2.083 398 L HA -0.048 4.292 4.340 -0.000 0.000 0.209 398 L C 2.517 179.449 176.870 0.102 0.000 1.083 398 L CA 1.790 56.705 54.840 0.125 0.000 0.752 398 L CB -1.026 41.080 42.059 0.079 0.000 0.899 398 L HN 0.414 nan 8.230 nan 0.000 0.433 399 G N -0.663 108.178 108.800 0.069 0.000 2.545 399 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.217 399 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.217 399 G C 1.712 176.651 174.900 0.066 0.000 1.218 399 G CA 1.168 46.297 45.100 0.048 0.000 0.787 399 G HN 0.357 nan 8.290 nan 0.000 0.571 400 K N 0.040 120.498 120.400 0.097 0.000 2.160 400 K HA 0.027 4.347 4.320 -0.000 0.000 0.206 400 K C 2.286 178.947 176.600 0.102 0.000 1.047 400 K CA 0.987 57.350 56.287 0.125 0.000 0.930 400 K CB -0.317 32.330 32.500 0.246 0.000 0.720 400 K HN 0.334 nan 8.250 nan 0.000 0.450 401 L N 0.049 121.350 121.223 0.131 0.000 2.554 401 L HA 0.050 4.389 4.340 -0.000 0.000 0.226 401 L C 0.341 177.232 176.870 0.035 0.000 1.137 401 L CA 0.520 55.396 54.840 0.059 0.000 0.863 401 L CB -0.568 41.553 42.059 0.102 0.000 0.985 401 L HN 0.423 nan 8.230 nan 0.000 0.451 402 N N -1.073 117.653 118.700 0.044 0.000 2.741 402 N HA -0.167 4.573 4.740 -0.000 0.000 0.251 402 N C -0.120 175.405 175.510 0.025 0.000 1.112 402 N CA 0.250 53.316 53.050 0.027 0.000 0.750 402 N CB -0.888 37.606 38.487 0.012 0.000 1.119 402 N HN -0.002 nan 8.380 nan 0.000 0.561 403 V N 0.899 120.836 119.914 0.038 0.000 2.599 403 V HA -0.013 4.107 4.120 -0.000 0.000 0.300 403 V C 0.922 177.030 176.094 0.024 0.000 1.034 403 V CA 0.609 62.929 62.300 0.033 0.000 1.115 403 V CB 1.157 33.011 31.823 0.052 0.000 0.934 403 V HN 0.087 nan 8.190 nan 0.000 0.485 404 K N 4.904 125.312 120.400 0.013 0.000 2.354 404 K HA 0.377 4.697 4.320 -0.000 0.000 0.257 404 K C -0.679 175.921 176.600 -0.000 0.000 1.062 404 K CA -0.747 55.545 56.287 0.007 0.000 0.971 404 K CB 1.099 33.601 32.500 0.004 0.000 1.305 404 K HN 0.395 nan 8.250 nan 0.000 0.449 405 L N 1.981 123.202 121.223 -0.002 0.000 2.439 405 L HA 0.106 4.446 4.340 -0.000 0.000 0.269 405 L C 0.325 177.177 176.870 -0.029 0.000 1.179 405 L CA 0.738 55.565 54.840 -0.023 0.000 0.828 405 L CB 1.082 43.124 42.059 -0.028 0.000 1.106 405 L HN 0.472 nan 8.230 nan 0.000 0.467 406 T N 4.304 118.828 114.554 -0.050 0.000 2.904 406 T HA 0.235 4.585 4.350 -0.000 0.000 0.290 406 T C -0.103 174.570 174.700 -0.045 0.000 1.018 406 T CA -0.414 61.661 62.100 -0.043 0.000 1.075 406 T CB 0.504 69.342 68.868 -0.050 0.000 0.986 406 T HN 0.391 nan 8.240 nan 0.000 0.523 407 K N 2.272 122.662 120.400 -0.017 0.000 2.274 407 K HA 0.389 4.709 4.320 -0.000 0.000 0.262 407 K C -1.004 175.607 176.600 0.018 0.000 0.961 407 K CA -0.864 55.429 56.287 0.009 0.000 0.833 407 K CB 0.899 33.413 32.500 0.022 0.000 1.102 407 K HN 0.239 nan 8.250 nan 0.000 0.436 408 L N 3.556 124.807 121.223 0.047 0.000 2.410 408 L HA 0.087 4.427 4.340 -0.000 0.000 0.273 408 L C 0.895 177.796 176.870 0.051 0.000 1.152 408 L CA 0.539 55.413 54.840 0.057 0.000 0.855 408 L CB 0.777 42.904 42.059 0.112 0.000 1.129 408 L HN 0.747 nan 8.230 nan 0.000 0.463 409 T N -0.431 114.143 114.554 0.034 0.000 2.788 409 T HA 0.177 4.527 4.350 -0.000 0.000 0.280 409 T C 1.060 175.782 174.700 0.037 0.000 0.984 409 T CA -0.620 61.496 62.100 0.028 0.000 0.972 409 T CB 0.864 69.739 68.868 0.012 0.000 1.039 409 T HN 0.545 nan 8.240 nan 0.000 0.530 410 E N 0.355 120.574 120.200 0.031 0.000 2.058 410 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 410 E C 1.980 178.607 176.600 0.045 0.000 0.997 410 E CA 1.437 57.858 56.400 0.036 0.000 0.801 410 E CB -0.258 29.459 29.700 0.028 0.000 0.746 410 E HN 0.751 nan 8.360 nan 0.000 0.450 411 K N 0.197 120.618 120.400 0.036 0.000 2.057 411 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 411 K C 2.277 178.922 176.600 0.074 0.000 1.049 411 K CA 1.482 57.796 56.287 0.044 0.000 0.931 411 K CB 0.048 32.554 32.500 0.010 0.000 0.714 411 K HN 0.129 nan 8.250 nan 0.000 0.440 412 Q N -0.367 119.462 119.800 0.050 0.000 2.020 412 Q HA -0.083 4.257 4.340 -0.000 0.000 0.198 412 Q C 2.155 178.240 176.000 0.142 0.000 0.974 412 Q CA 1.267 57.117 55.803 0.079 0.000 0.829 412 Q CB -0.182 28.573 28.738 0.029 0.000 0.894 412 Q HN 0.348 nan 8.270 nan 0.000 0.433 413 A N 1.430 124.311 122.820 0.102 0.000 1.940 413 A HA -0.301 4.019 4.320 -0.000 0.000 0.221 413 A C 2.090 179.730 177.584 0.094 0.000 1.190 413 A CA 1.805 53.901 52.037 0.100 0.000 0.647 413 A CB -0.575 18.471 19.000 0.078 0.000 0.821 413 A HN 0.340 nan 8.150 nan 0.000 0.457 414 Q N -2.138 117.719 119.800 0.095 0.000 2.049 414 Q HA -0.169 4.171 4.340 -0.000 0.000 0.198 414 Q C 2.053 178.112 176.000 0.099 0.000 0.971 414 Q CA 1.576 57.427 55.803 0.079 0.000 0.833 414 Q CB -0.568 28.213 28.738 0.072 0.000 0.896 414 Q HN 0.822 nan 8.270 nan 0.000 0.434 415 Y N 1.917 122.225 120.300 0.012 0.000 2.069 415 Y HA -0.256 4.294 4.550 -0.000 0.000 0.278 415 Y C 2.094 178.001 175.900 0.011 0.000 1.175 415 Y CA 1.607 59.714 58.100 0.011 0.000 1.134 415 Y CB -0.276 38.190 38.460 0.011 0.000 0.965 415 Y HN 0.003 nan 8.280 nan 0.000 0.498 416 L N -1.310 120.004 121.223 0.153 0.000 2.156 416 L HA 0.027 4.367 4.340 -0.000 0.000 0.208 416 L C 1.896 178.766 176.870 0.001 0.000 1.095 416 L CA 1.033 55.912 54.840 0.065 0.000 0.770 416 L CB -0.990 41.143 42.059 0.123 0.000 0.914 416 L HN 0.557 nan 8.230 nan 0.000 0.439 417 G N 1.100 109.908 108.800 0.014 0.000 2.137 417 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.237 417 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.237 417 G C 0.189 175.087 174.900 -0.004 0.000 1.002 417 G CA 0.509 45.605 45.100 -0.006 0.000 0.702 417 G HN 0.415 nan 8.290 nan 0.000 0.515 418 M N -1.439 118.170 119.600 0.015 0.000 2.535 418 M HA 0.735 5.215 4.480 -0.000 0.000 0.314 418 M C -2.924 173.371 176.300 -0.008 0.000 1.153 418 M CA -2.592 52.701 55.300 -0.012 0.000 0.924 418 M CB 1.689 34.294 32.600 0.008 0.000 1.710 418 M HN -0.122 nan 8.290 nan 0.000 0.451 419 P HA 0.200 nan 4.420 nan 0.000 0.268 419 P C 0.562 177.859 177.300 -0.004 0.000 1.205 419 P CA -0.096 62.974 63.100 -0.049 0.000 0.771 419 P CB 0.612 32.255 31.700 -0.094 0.000 0.858 420 I N 1.002 121.607 120.570 0.059 0.000 2.399 420 I HA -0.301 3.869 4.170 -0.000 0.000 0.254 420 I C 1.466 177.714 176.117 0.218 0.000 1.146 420 I CA 1.633 63.018 61.300 0.142 0.000 1.412 420 I CB -0.296 37.761 38.000 0.096 0.000 1.076 420 I HN 0.407 nan 8.210 nan 0.000 0.432 421 N N 0.039 118.784 118.700 0.075 0.000 2.564 421 N HA 0.091 4.830 4.740 -0.000 0.000 0.202 421 N C 1.008 176.373 175.510 -0.241 0.000 1.052 421 N CA 0.561 53.648 53.050 0.061 0.000 0.872 421 N CB -0.252 38.261 38.487 0.043 0.000 1.303 421 N HN 0.202 nan 8.380 nan 0.000 0.440 422 G N 2.218 110.859 108.800 -0.266 0.000 2.902 422 G HA2 0.035 3.995 3.960 -0.000 0.000 0.240 422 G HA3 0.035 3.995 3.960 -0.000 0.000 0.240 422 G C -2.399 172.053 174.900 -0.746 0.000 1.244 422 G CA -0.406 44.481 45.100 -0.354 0.000 0.862 422 G HN 0.043 nan 8.290 nan 0.000 0.603 423 P HA 0.001 nan 4.420 nan 0.000 0.263 423 P C -0.063 176.884 177.300 -0.588 0.000 1.175 423 P CA 0.440 63.247 63.100 -0.488 0.000 0.761 423 P CB 0.135 31.728 31.700 -0.178 0.000 0.794 424 F N 1.310 121.251 119.950 -0.014 0.000 2.727 424 F HA 0.212 4.738 4.527 -0.000 0.000 0.302 424 F C 1.201 176.899 175.800 -0.170 0.000 1.097 424 F CA 0.456 58.417 58.000 -0.065 0.000 1.330 424 F CB 0.073 39.045 39.000 -0.047 0.000 1.084 424 F HN 0.015 nan 8.300 nan 0.000 0.578 425 K N 1.216 121.576 120.400 -0.065 0.000 2.469 425 K HA 0.414 4.733 4.320 -0.000 0.000 0.254 425 K C -2.876 173.621 176.600 -0.171 0.000 0.939 425 K CA -1.795 54.319 56.287 -0.289 0.000 0.812 425 K CB 2.155 34.283 32.500 -0.619 0.000 1.301 425 K HN -0.243 nan 8.250 nan 0.000 0.433 426 P HA 0.174 nan 4.420 nan 0.000 0.276 426 P C -0.182 177.065 177.300 -0.089 0.000 1.244 426 P CA -0.208 62.826 63.100 -0.110 0.000 0.801 426 P CB 0.695 32.337 31.700 -0.097 0.000 1.006 427 D N -0.208 120.208 120.400 0.026 0.000 2.158 427 D HA -0.205 4.435 4.640 -0.000 0.000 0.197 427 D C 1.656 177.977 176.300 0.035 0.000 0.995 427 D CA 1.581 55.605 54.000 0.039 0.000 0.846 427 D CB -0.741 40.088 40.800 0.048 0.000 0.941 427 D HN 0.616 nan 8.370 nan 0.000 0.456 428 H N -1.116 117.971 119.070 0.029 0.000 2.563 428 H HA -0.095 4.461 4.556 -0.000 0.000 0.272 428 H C 0.055 175.405 175.328 0.036 0.000 1.005 428 H CA -0.050 56.008 56.048 0.017 0.000 1.171 428 H CB -1.040 28.728 29.762 0.010 0.000 1.351 428 H HN 0.142 nan 8.280 nan 0.000 0.602 429 Y N 3.217 123.255 120.300 -0.437 0.000 2.569 429 Y HA 0.060 4.610 4.550 -0.001 0.000 0.332 429 Y C 0.986 176.787 175.900 -0.166 0.000 1.120 429 Y CA -0.228 57.632 58.100 -0.401 0.000 1.416 429 Y CB 0.468 38.579 38.460 -0.581 0.000 1.210 429 Y HN 0.067 nan 8.280 nan 0.000 0.528 430 R N 4.917 125.017 120.500 -0.666 0.000 2.391 430 R HA 0.037 4.377 4.340 -0.000 0.000 0.249 430 R C -0.409 175.681 176.300 -0.350 0.000 0.957 430 R CA -0.275 55.612 56.100 -0.355 0.000 1.093 430 R CB -0.463 29.688 30.300 -0.249 0.000 1.156 430 R HN 0.760 nan 8.270 nan 0.000 0.526 431 Y N 0.000 119.824 120.300 -0.793 0.000 2.660 431 Y HA 0.000 4.550 4.550 -0.001 0.000 0.201 431 Y CA 0.000 57.934 58.100 -0.277 0.000 1.940 431 Y CB 0.000 38.510 38.460 0.083 0.000 1.050 431 Y HN 0.000 nan 8.280 nan 0.000 0.758