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 1kya_1_C DATA FIRST_RESID 1 DATA SEQUENCE GIGPVADLTI TNAAVSPDGF SRQAVVVNGG TPGPLITGNM GDRFQLNVID DATA SEQUENCE NLTNHTMLKS TSIHWHGFFQ KGTNWADGPA FINQcPISSG HSFLYDFQVP DATA SEQUENCE DQAGTFWYHS HLSTQYcDGL RGPFVVYDPN DPAADLYDVD NDDTVITLVD DATA SEQUENCE WYHVAAKLGP AFPLGADATL INGKGRSPST TTADLSVISV TPGKRYRFRL DATA SEQUENCE VSLScDPNYT FSIDGHNMTI IETDSINTAP LVVDSIQIFA AQRYSFVLEA DATA SEQUENCE NQAVDNYWIR ANPNFGNVGF TGGINSAILR YDGAAAVEPT TTQTTSTAPL DATA SEQUENCE NEVNLHPLVA TAVPGSPVAG GVDLAINMAF NFNGTNFFIN GASFTPPTVP DATA SEQUENCE VLLQIISGAQ NAQDLLPSGS VYSLPSNADI EISFPATAAA PGAPHPFHLH DATA SEQUENCE GHAFAVVRSA GSTVYNYDNP IFRDVVSTGT PAAGDNVTIR FRTDNPGPWF DATA SEQUENCE LHCHIDFHLE AGFAVVFAED IPDVASANPV PQAWSDLcPT YDARDPSDQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1 G C 0.000 174.912 174.900 0.020 0.000 0.946 1 G CA 0.000 45.134 45.100 0.056 0.000 0.502 2 I N 0.149 120.716 120.570 -0.005 0.000 2.281 2 I HA 0.595 4.765 4.170 -0.000 0.000 0.293 2 I C 1.054 177.131 176.117 -0.067 0.000 1.085 2 I CA -0.460 60.819 61.300 -0.034 0.000 1.257 2 I CB 0.368 38.346 38.000 -0.036 0.000 1.430 2 I HN 0.777 nan 8.210 nan 0.000 0.489 3 G N 6.733 115.494 108.800 -0.066 0.000 3.365 3 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.238 3 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.238 3 G C -1.427 173.362 174.900 -0.185 0.000 1.264 3 G CA -0.447 44.588 45.100 -0.108 0.000 0.876 3 G HN 0.618 nan 8.290 nan 0.000 0.610 4 P HA -0.072 nan 4.420 nan 0.000 0.217 4 P C 0.726 177.772 177.300 -0.422 0.000 1.148 4 P CA 1.591 64.298 63.100 -0.656 0.000 0.834 4 P CB -0.111 31.060 31.700 -0.882 0.000 0.783 5 V N -4.031 115.714 119.914 -0.281 0.000 2.384 5 V HA 0.869 4.989 4.120 -0.000 0.000 0.287 5 V C -0.529 175.483 176.094 -0.136 0.000 1.020 5 V CA -1.021 61.158 62.300 -0.202 0.000 0.850 5 V CB 0.882 32.601 31.823 -0.173 0.000 0.987 5 V HN 0.079 nan 8.190 nan 0.000 0.436 6 A N 3.506 126.261 122.820 -0.108 0.000 2.586 6 A HA 0.709 5.029 4.320 -0.000 0.000 0.291 6 A C -1.526 176.041 177.584 -0.028 0.000 1.062 6 A CA -0.729 51.268 52.037 -0.066 0.000 0.666 6 A CB 1.553 20.509 19.000 -0.075 0.000 1.281 6 A HN 0.777 nan 8.150 nan 0.000 0.421 7 D N 0.839 121.239 120.400 -0.000 0.000 2.163 7 D HA 0.564 5.204 4.640 -0.000 0.000 0.248 7 D C -0.823 175.513 176.300 0.060 0.000 1.035 7 D CA 0.134 54.157 54.000 0.038 0.000 0.872 7 D CB 1.658 42.482 40.800 0.040 0.000 1.183 7 D HN 0.397 nan 8.370 nan 0.000 0.445 8 L N 2.046 123.332 121.223 0.105 0.000 2.384 8 L HA 0.226 4.566 4.340 -0.000 0.000 0.261 8 L C -0.063 176.901 176.870 0.158 0.000 1.024 8 L CA -0.516 54.404 54.840 0.132 0.000 0.899 8 L CB 1.268 43.423 42.059 0.160 0.000 1.243 8 L HN 0.100 nan 8.230 nan 0.000 0.449 9 T N 4.003 118.636 114.554 0.132 0.000 2.723 9 T HA 0.382 4.732 4.350 -0.000 0.000 0.297 9 T C 0.324 175.110 174.700 0.143 0.000 0.925 9 T CA -0.249 61.928 62.100 0.129 0.000 1.030 9 T CB 0.540 69.468 68.868 0.099 0.000 0.905 9 T HN 0.151 nan 8.240 nan 0.000 0.502 10 I N 5.027 125.692 120.570 0.158 0.000 2.342 10 I HA 0.412 4.582 4.170 -0.000 0.000 0.291 10 I C 1.014 177.215 176.117 0.140 0.000 1.010 10 I CA -0.460 60.938 61.300 0.163 0.000 1.308 10 I CB 0.248 38.358 38.000 0.184 0.000 1.400 10 I HN 0.698 nan 8.210 nan 0.000 0.488 11 T N 2.732 117.365 114.554 0.132 0.000 2.778 11 T HA 0.516 4.866 4.350 -0.000 0.000 0.293 11 T C -0.527 174.244 174.700 0.119 0.000 1.144 11 T CA -1.022 61.147 62.100 0.115 0.000 1.010 11 T CB 1.718 70.644 68.868 0.097 0.000 1.325 11 T HN 0.461 nan 8.240 nan 0.000 0.515 12 N N -0.401 118.363 118.700 0.106 0.000 2.456 12 N HA 0.757 5.497 4.740 -0.000 0.000 0.296 12 N C -1.021 174.546 175.510 0.095 0.000 1.102 12 N CA -0.682 52.432 53.050 0.107 0.000 0.924 12 N CB 1.811 40.356 38.487 0.098 0.000 1.186 12 N HN 1.055 nan 8.380 nan 0.000 0.492 13 A N 0.447 123.328 122.820 0.102 0.000 2.594 13 A HA 0.720 5.040 4.320 -0.000 0.000 0.296 13 A C -1.341 176.297 177.584 0.090 0.000 1.056 13 A CA -0.762 51.326 52.037 0.084 0.000 0.693 13 A CB 0.644 19.691 19.000 0.078 0.000 1.278 13 A HN 0.681 nan 8.150 nan 0.000 0.408 14 A N 0.371 123.229 122.820 0.063 0.000 2.401 14 A HA 0.647 4.967 4.320 -0.000 0.000 0.259 14 A C 0.008 177.625 177.584 0.056 0.000 1.103 14 A CA 0.049 52.117 52.037 0.052 0.000 0.789 14 A CB 0.490 19.499 19.000 0.014 0.000 1.035 14 A HN 2.187 nan 8.150 nan 0.000 0.491 15 V N 1.635 121.596 119.914 0.078 0.000 3.188 15 V HA 0.779 4.899 4.120 -0.000 0.000 0.305 15 V C -0.356 175.776 176.094 0.062 0.000 1.232 15 V CA 0.311 62.646 62.300 0.059 0.000 1.043 15 V CB 2.815 34.676 31.823 0.064 0.000 1.068 15 V HN 1.581 nan 8.190 nan 0.000 0.439 16 S N 2.459 118.166 115.700 0.012 0.000 2.606 16 S HA 0.387 4.857 4.470 -0.000 0.000 0.156 16 S C -1.906 172.686 174.600 -0.012 0.000 1.308 16 S CA -0.275 57.945 58.200 0.034 0.000 1.228 16 S CB 1.041 64.245 63.200 0.006 0.000 1.568 16 S HN 0.697 nan 8.310 nan 0.000 0.397 17 P HA -0.086 nan 4.420 nan 0.000 0.221 17 P C 0.409 177.673 177.300 -0.059 0.000 1.145 17 P CA 1.460 64.453 63.100 -0.178 0.000 0.795 17 P CB -0.041 31.393 31.700 -0.444 0.000 0.775 18 D N -2.441 117.990 120.400 0.052 0.000 2.479 18 D HA 0.171 4.811 4.640 -0.000 0.000 0.218 18 D C 1.317 177.718 176.300 0.169 0.000 1.177 18 D CA 0.171 54.255 54.000 0.139 0.000 0.830 18 D CB -0.096 40.859 40.800 0.260 0.000 1.014 18 D HN 0.243 nan 8.370 nan 0.000 0.503 19 G N 0.333 109.212 108.800 0.132 0.000 2.234 19 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.235 19 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.235 19 G C -0.203 174.783 174.900 0.142 0.000 0.997 19 G CA -0.052 45.119 45.100 0.118 0.000 0.623 19 G HN 0.364 nan 8.290 nan 0.000 0.514 20 F N 2.988 122.943 119.950 0.009 0.000 2.405 20 F HA 0.730 5.257 4.527 0.000 0.000 0.355 20 F C 0.576 176.364 175.800 -0.020 0.000 1.121 20 F CA -0.602 57.334 58.000 -0.107 0.000 1.112 20 F CB 1.689 40.386 39.000 -0.505 0.000 1.126 20 F HN 0.114 nan 8.300 nan 0.000 0.481 21 S N 6.205 121.511 115.700 -0.657 0.000 2.528 21 S HA 0.652 5.122 4.470 -0.000 0.000 0.277 21 S C -0.560 173.707 174.600 -0.554 0.000 1.297 21 S CA -0.460 57.478 58.200 -0.438 0.000 1.052 21 S CB 0.036 63.051 63.200 -0.308 0.000 0.917 21 S HN 0.829 nan 8.310 nan 0.000 0.492 22 R N 2.995 123.419 120.500 -0.126 0.000 2.594 22 R HA 0.412 4.752 4.340 -0.000 0.000 0.265 22 R C -1.453 174.922 176.300 0.125 0.000 1.070 22 R CA -0.857 55.249 56.100 0.010 0.000 0.909 22 R CB 0.358 30.779 30.300 0.201 0.000 1.243 22 R HN 0.412 nan 8.270 nan 0.000 0.455 23 Q N 1.036 120.896 119.800 0.101 0.000 2.392 23 Q HA 0.619 4.959 4.340 -0.000 0.000 0.262 23 Q C -0.389 175.720 176.000 0.182 0.000 1.003 23 Q CA 0.594 56.468 55.803 0.120 0.000 0.888 23 Q CB 1.604 30.394 28.738 0.086 0.000 1.260 23 Q HN 0.838 nan 8.270 nan 0.000 0.435 24 A N 1.112 124.053 122.820 0.200 0.000 2.536 24 A HA 0.565 4.885 4.320 -0.000 0.000 0.293 24 A C -1.364 176.347 177.584 0.212 0.000 1.119 24 A CA -0.638 51.554 52.037 0.258 0.000 0.654 24 A CB 1.000 20.277 19.000 0.461 0.000 1.291 24 A HN 0.335 nan 8.150 nan 0.000 0.439 25 V N 0.683 120.735 119.914 0.230 0.000 2.383 25 V HA 0.524 4.644 4.120 -0.000 0.000 0.275 25 V C -0.232 175.985 176.094 0.205 0.000 1.036 25 V CA -0.321 62.097 62.300 0.197 0.000 0.889 25 V CB 0.935 32.874 31.823 0.193 0.000 0.985 25 V HN 0.663 nan 8.190 nan 0.000 0.459 26 V N 5.645 125.663 119.914 0.172 0.000 2.715 26 V HA 0.544 4.664 4.120 -0.000 0.000 0.310 26 V C -0.452 175.739 176.094 0.162 0.000 1.054 26 V CA -0.486 61.907 62.300 0.156 0.000 0.928 26 V CB 2.652 34.550 31.823 0.124 0.000 1.007 26 V HN 0.608 nan 8.190 nan 0.000 0.437 27 V N 4.988 125.004 119.914 0.170 0.000 2.357 27 V HA 0.450 4.570 4.120 -0.000 0.000 0.284 27 V C 0.261 176.449 176.094 0.156 0.000 1.018 27 V CA -0.699 61.718 62.300 0.196 0.000 0.841 27 V CB 1.071 33.066 31.823 0.287 0.000 0.991 27 V HN 0.990 nan 8.190 nan 0.000 0.437 28 N N 4.138 122.918 118.700 0.132 0.000 2.708 28 N HA -0.226 4.514 4.740 -0.000 0.000 0.249 28 N C 1.149 176.711 175.510 0.085 0.000 1.097 28 N CA 1.846 54.956 53.050 0.101 0.000 0.710 28 N CB -1.152 37.394 38.487 0.098 0.000 1.032 28 N HN 1.457 nan 8.380 nan 0.000 0.551 29 G N -3.262 105.590 108.800 0.087 0.000 2.254 29 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.225 29 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.225 29 G C 0.301 175.239 174.900 0.063 0.000 1.003 29 G CA 0.337 45.478 45.100 0.069 0.000 0.622 29 G HN 1.015 nan 8.290 nan 0.000 0.507 30 G N -1.147 107.696 108.800 0.072 0.000 2.519 30 G HA2 0.618 4.578 3.960 -0.000 0.000 0.307 30 G HA3 0.618 4.578 3.960 -0.000 0.000 0.307 30 G C 0.558 175.494 174.900 0.060 0.000 1.266 30 G CA 0.979 46.109 45.100 0.049 0.000 0.970 30 G HN 0.283 nan 8.290 nan 0.000 0.481 31 T N 1.550 116.110 114.554 0.010 0.000 2.590 31 T HA 0.023 4.373 4.350 -0.000 0.000 0.257 31 T C -1.565 173.150 174.700 0.025 0.000 1.080 31 T CA 1.032 63.145 62.100 0.022 0.000 1.180 31 T CB -0.670 68.125 68.868 -0.122 0.000 0.865 31 T HN 0.254 nan 8.240 nan 0.000 0.403 32 P HA 0.145 nan 4.420 nan 0.000 0.252 32 P C 0.278 177.600 177.300 0.037 0.000 1.183 32 P CA 0.087 63.176 63.100 -0.018 0.000 0.973 32 P CB -0.344 31.318 31.700 -0.065 0.000 0.990 33 G N 5.822 114.664 108.800 0.070 0.000 2.760 33 G HA2 0.083 4.043 3.960 -0.000 0.000 0.236 33 G HA3 0.083 4.043 3.960 -0.000 0.000 0.236 33 G C -2.342 172.700 174.900 0.237 0.000 1.243 33 G CA -0.724 44.497 45.100 0.202 0.000 0.850 33 G HN 0.266 nan 8.290 nan 0.000 0.595 34 P HA 0.120 nan 4.420 nan 0.000 0.268 34 P C -0.018 177.428 177.300 0.243 0.000 1.205 34 P CA -0.575 62.642 63.100 0.194 0.000 0.771 34 P CB 0.697 32.482 31.700 0.142 0.000 0.858 35 L N 4.532 125.852 121.223 0.161 0.000 2.477 35 L HA 0.186 4.526 4.340 -0.000 0.000 0.272 35 L C -0.594 176.319 176.870 0.071 0.000 1.157 35 L CA 0.430 55.363 54.840 0.155 0.000 0.889 35 L CB -0.764 41.365 42.059 0.116 0.000 1.158 35 L HN 0.230 nan 8.230 nan 0.000 0.473 36 I N 5.311 125.876 120.570 -0.009 0.000 2.353 36 I HA 0.431 4.601 4.170 -0.000 0.000 0.293 36 I C 0.342 176.256 176.117 -0.338 0.000 0.992 36 I CA -0.248 60.864 61.300 -0.313 0.000 1.268 36 I CB 1.433 38.963 38.000 -0.783 0.000 1.387 36 I HN 0.807 nan 8.210 nan 0.000 0.478 37 T N 1.830 116.292 114.554 -0.153 0.000 2.865 37 T HA 0.941 5.291 4.350 -0.000 0.000 0.294 37 T C -0.381 174.439 174.700 0.200 0.000 1.119 37 T CA -0.826 61.307 62.100 0.055 0.000 1.007 37 T CB 2.354 71.358 68.868 0.228 0.000 1.225 37 T HN 0.900 nan 8.240 nan 0.000 0.515 38 G N 0.550 109.552 108.800 0.337 0.000 2.441 38 G HA2 0.491 4.451 3.960 -0.000 0.000 0.294 38 G HA3 0.491 4.451 3.960 -0.000 0.000 0.294 38 G C -2.094 173.021 174.900 0.359 0.000 1.393 38 G CA -0.943 44.334 45.100 0.296 0.000 0.796 38 G HN 0.809 nan 8.290 nan 0.000 0.494 39 N N 0.096 118.931 118.700 0.225 0.000 2.430 39 N HA 0.418 5.158 4.740 -0.000 0.000 0.298 39 N C 0.204 175.842 175.510 0.213 0.000 1.130 39 N CA -0.701 52.486 53.050 0.228 0.000 0.894 39 N CB 1.947 40.517 38.487 0.138 0.000 1.209 39 N HN 0.730 nan 8.380 nan 0.000 0.503 40 M N 0.812 120.533 119.600 0.202 0.000 2.261 40 M HA 0.072 4.552 4.480 -0.000 0.000 0.350 40 M C 0.988 177.361 176.300 0.122 0.000 1.343 40 M CA 1.522 56.926 55.300 0.173 0.000 1.003 40 M CB -0.288 32.400 32.600 0.147 0.000 1.848 40 M HN 0.901 nan 8.290 nan 0.000 0.456 41 G N 3.145 112.015 108.800 0.118 0.000 2.254 41 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.225 41 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.225 41 G C -0.265 174.648 174.900 0.022 0.000 1.003 41 G CA 0.103 45.243 45.100 0.066 0.000 0.622 41 G HN 0.704 nan 8.290 nan 0.000 0.507 42 D N 0.593 120.995 120.400 0.002 0.000 2.419 42 D HA 0.439 5.079 4.640 -0.000 0.000 0.236 42 D C 1.005 177.169 176.300 -0.227 0.000 1.165 42 D CA 0.262 54.149 54.000 -0.188 0.000 0.882 42 D CB 0.485 41.036 40.800 -0.415 0.000 1.201 42 D HN 0.709 nan 8.370 nan 0.000 0.443 43 R N 1.567 121.857 120.500 -0.350 0.000 2.207 43 R HA 0.325 4.665 4.340 -0.000 0.000 0.334 43 R C -1.214 174.739 176.300 -0.579 0.000 1.013 43 R CA -0.461 55.443 56.100 -0.327 0.000 0.858 43 R CB 0.121 30.289 30.300 -0.220 0.000 1.094 43 R HN 0.098 nan 8.270 nan 0.000 0.457 44 F N 2.763 122.314 119.950 -0.666 0.000 2.404 44 F HA 0.293 4.820 4.527 0.000 0.000 0.345 44 F C 0.334 175.681 175.800 -0.756 0.000 1.110 44 F CA -0.225 57.292 58.000 -0.805 0.000 1.130 44 F CB 1.905 40.177 39.000 -1.214 0.000 1.129 44 F HN 0.456 nan 8.300 nan 0.000 0.500 45 Q N 5.022 124.595 119.800 -0.378 0.000 2.674 45 Q HA 0.392 4.732 4.340 -0.000 0.000 0.249 45 Q C -1.312 174.574 176.000 -0.189 0.000 1.011 45 Q CA -0.292 55.355 55.803 -0.260 0.000 0.734 45 Q CB 1.518 30.137 28.738 -0.198 0.000 1.201 45 Q HN 0.595 nan 8.270 nan 0.000 0.498 46 L N 2.126 123.243 121.223 -0.176 0.000 2.264 46 L HA 0.385 4.725 4.340 -0.000 0.000 0.287 46 L C -0.061 176.870 176.870 0.102 0.000 1.039 46 L CA -0.759 54.040 54.840 -0.069 0.000 0.829 46 L CB 0.539 42.479 42.059 -0.197 0.000 1.211 46 L HN 0.350 nan 8.230 nan 0.000 0.427 47 N N 2.887 121.635 118.700 0.079 0.000 2.406 47 N HA 0.213 4.953 4.740 -0.000 0.000 0.251 47 N C -0.844 174.788 175.510 0.204 0.000 1.069 47 N CA -0.273 52.846 53.050 0.115 0.000 0.947 47 N CB 1.197 39.716 38.487 0.052 0.000 1.111 47 N HN 0.252 nan 8.380 nan 0.000 0.497 48 V N 5.797 125.905 119.914 0.324 0.000 2.368 48 V HA 0.276 4.396 4.120 -0.000 0.000 0.266 48 V C 0.465 176.727 176.094 0.280 0.000 1.045 48 V CA -0.479 62.034 62.300 0.356 0.000 0.899 48 V CB 0.137 32.283 31.823 0.538 0.000 1.006 48 V HN 0.570 nan 8.190 nan 0.000 0.470 49 I N 4.210 124.908 120.570 0.213 0.000 2.306 49 I HA 0.261 4.431 4.170 -0.000 0.000 0.288 49 I C -0.008 176.214 176.117 0.175 0.000 1.036 49 I CA -0.306 61.100 61.300 0.175 0.000 1.221 49 I CB 1.119 39.196 38.000 0.128 0.000 1.385 49 I HN 0.487 nan 8.210 nan 0.000 0.472 50 D N 6.598 127.110 120.400 0.187 0.000 2.393 50 D HA 0.114 4.754 4.640 -0.000 0.000 0.232 50 D C -0.026 176.357 176.300 0.138 0.000 1.192 50 D CA 0.010 54.115 54.000 0.175 0.000 0.882 50 D CB 0.491 41.411 40.800 0.199 0.000 1.038 50 D HN 0.328 nan 8.370 nan 0.000 0.499 51 N N 4.150 122.924 118.700 0.122 0.000 2.467 51 N HA 0.155 4.895 4.740 -0.000 0.000 0.278 51 N C -0.178 175.392 175.510 0.100 0.000 1.306 51 N CA -0.271 52.837 53.050 0.096 0.000 0.905 51 N CB 0.385 38.921 38.487 0.082 0.000 1.236 51 N HN 0.416 nan 8.380 nan 0.000 0.509 52 L N 0.215 121.508 121.223 0.116 0.000 2.452 52 L HA 0.220 4.560 4.340 -0.000 0.000 0.267 52 L C 1.559 178.492 176.870 0.106 0.000 1.188 52 L CA 0.317 55.227 54.840 0.117 0.000 0.821 52 L CB 0.757 42.896 42.059 0.133 0.000 1.102 52 L HN 0.200 nan 8.230 nan 0.000 0.470 53 T N -3.876 110.739 114.554 0.101 0.000 3.080 53 T HA 0.106 4.456 4.350 -0.000 0.000 0.280 53 T C 0.407 175.169 174.700 0.103 0.000 0.926 53 T CA -0.371 61.785 62.100 0.092 0.000 0.883 53 T CB 0.006 68.918 68.868 0.074 0.000 1.194 53 T HN 0.351 nan 8.240 nan 0.000 0.541 54 N N 1.798 120.564 118.700 0.110 0.000 2.500 54 N HA 0.215 4.955 4.740 -0.000 0.000 0.236 54 N C 0.561 176.150 175.510 0.131 0.000 1.022 54 N CA -0.033 53.084 53.050 0.112 0.000 0.935 54 N CB 1.117 39.659 38.487 0.092 0.000 1.147 54 N HN 0.363 nan 8.380 nan 0.000 0.512 55 H N 2.524 121.631 119.070 0.062 0.000 2.387 55 H HA -0.127 4.429 4.556 -0.000 0.000 0.299 55 H C 1.645 177.010 175.328 0.062 0.000 1.099 55 H CA 2.732 58.818 56.048 0.062 0.000 1.315 55 H CB 0.193 29.984 29.762 0.048 0.000 1.380 55 H HN 0.564 nan 8.280 nan 0.000 0.513 56 T N -2.270 112.219 114.554 -0.107 0.000 2.929 56 T HA -0.135 4.215 4.350 -0.000 0.000 0.271 56 T C 1.693 176.326 174.700 -0.111 0.000 1.085 56 T CA 1.513 63.519 62.100 -0.157 0.000 1.125 56 T CB -0.169 68.682 68.868 -0.027 0.000 0.874 56 T HN 0.397 nan 8.240 nan 0.000 0.494 57 M N 0.595 120.168 119.600 -0.045 0.000 2.346 57 M HA 0.436 4.916 4.480 -0.000 0.000 0.280 57 M C -0.566 175.744 176.300 0.017 0.000 1.075 57 M CA -0.175 55.125 55.300 0.001 0.000 0.989 57 M CB 0.380 33.011 32.600 0.051 0.000 1.447 57 M HN 0.110 nan 8.290 nan 0.000 0.511 58 L N 1.242 122.453 121.223 -0.021 0.000 2.443 58 L HA -0.215 4.125 4.340 -0.000 0.000 0.645 58 L C 0.542 177.490 176.870 0.130 0.000 1.007 58 L CA -0.175 54.692 54.840 0.044 0.000 1.350 58 L CB -0.676 41.428 42.059 0.074 0.000 2.011 58 L HN 0.385 nan 8.230 nan 0.000 0.954 59 K N -0.116 120.389 120.400 0.175 0.000 2.442 59 K HA -0.039 4.281 4.320 -0.000 0.000 0.199 59 K C 0.853 177.563 176.600 0.184 0.000 1.044 59 K CA 0.874 57.265 56.287 0.173 0.000 0.941 59 K CB -0.044 32.561 32.500 0.175 0.000 0.759 59 K HN 0.491 nan 8.250 nan 0.000 0.472 60 S N -0.075 115.750 115.700 0.208 0.000 2.672 60 S HA 0.360 4.830 4.470 -0.000 0.000 0.276 60 S C 0.029 174.724 174.600 0.159 0.000 1.207 60 S CA -0.715 57.613 58.200 0.213 0.000 1.002 60 S CB 1.955 65.340 63.200 0.309 0.000 0.998 60 S HN 0.132 nan 8.310 nan 0.000 0.542 61 T N 0.120 114.751 114.554 0.128 0.000 2.802 61 T HA 0.618 4.968 4.350 -0.000 0.000 0.311 61 T C -1.794 172.967 174.700 0.102 0.000 1.405 61 T CA -0.440 61.733 62.100 0.123 0.000 1.016 61 T CB 1.613 70.579 68.868 0.164 0.000 1.352 61 T HN 0.527 nan 8.240 nan 0.000 0.498 62 S N 1.532 117.297 115.700 0.107 0.000 2.543 62 S HA 0.735 5.205 4.470 -0.000 0.000 0.271 62 S C -1.717 172.919 174.600 0.061 0.000 1.148 62 S CA -0.632 57.644 58.200 0.127 0.000 0.914 62 S CB 0.706 63.918 63.200 0.021 0.000 1.096 62 S HN 0.620 nan 8.310 nan 0.000 0.471 63 I N 3.879 124.416 120.570 -0.055 0.000 2.465 63 I HA 0.384 4.554 4.170 -0.000 0.000 0.291 63 I C -0.500 175.058 176.117 -0.931 0.000 1.014 63 I CA -0.751 60.246 61.300 -0.504 0.000 1.093 63 I CB 1.855 39.451 38.000 -0.674 0.000 1.267 63 I HN 0.724 nan 8.210 nan 0.000 0.431 64 H N 5.288 123.786 119.070 -0.953 0.000 2.463 64 H HA 0.405 4.961 4.556 0.000 0.000 0.332 64 H C -1.665 172.942 175.328 -1.201 0.000 1.127 64 H CA -0.739 54.763 56.048 -0.910 0.000 1.238 64 H CB 0.968 30.508 29.762 -0.371 0.000 1.478 64 H HN 0.386 nan 8.280 nan 0.000 0.499 65 W N 4.770 125.459 121.300 -1.018 0.000 2.309 65 W HA 0.213 4.873 4.660 -0.000 0.000 0.332 65 W C -0.213 175.721 176.519 -0.974 0.000 0.962 65 W CA -0.918 55.995 57.345 -0.719 0.000 1.497 65 W CB -0.205 28.918 29.460 -0.561 0.000 1.308 65 W HN 0.678 nan 8.180 nan 0.000 0.384 66 H N 1.938 120.480 119.070 -0.879 0.000 3.145 66 H HA 0.295 4.851 4.556 -0.000 0.000 0.288 66 H C 1.385 176.545 175.328 -0.280 0.000 0.969 66 H CA 2.100 57.828 56.048 -0.533 0.000 1.444 66 H CB 0.359 29.698 29.762 -0.705 0.000 1.500 66 H HN 0.796 nan 8.280 nan 0.000 0.552 67 G N 3.954 112.705 108.800 -0.081 0.000 2.349 67 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.213 67 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.213 67 G C -0.097 174.586 174.900 -0.362 0.000 1.044 67 G CA -0.117 44.952 45.100 -0.052 0.000 0.633 67 G HN 0.507 nan 8.290 nan 0.000 0.506 68 F N 1.866 121.602 119.950 -0.357 0.000 2.543 68 F HA 0.564 5.091 4.527 0.000 0.000 0.375 68 F C 1.487 177.052 175.800 -0.392 0.000 1.075 68 F CA -0.573 57.064 58.000 -0.604 0.000 1.225 68 F CB 0.291 38.807 39.000 -0.808 0.000 1.099 68 F HN -0.011 nan 8.300 nan 0.000 0.561 69 F N 0.226 120.131 119.950 -0.075 0.000 2.293 69 F HA -0.130 4.397 4.527 0.000 0.000 0.300 69 F C 1.492 177.178 175.800 -0.190 0.000 1.086 69 F CA 0.454 58.316 58.000 -0.230 0.000 1.375 69 F CB -0.803 38.070 39.000 -0.211 0.000 1.045 69 F HN 0.411 nan 8.300 nan 0.000 0.516 70 Q N 0.128 119.956 119.800 0.047 0.000 2.480 70 Q HA -0.283 4.057 4.340 -0.000 0.000 0.265 70 Q C 0.332 176.426 176.000 0.157 0.000 1.072 70 Q CA 0.704 56.521 55.803 0.023 0.000 1.018 70 Q CB -1.880 26.900 28.738 0.071 0.000 1.433 70 Q HN 0.519 nan 8.270 nan 0.000 0.513 71 K N 0.222 120.715 120.400 0.155 0.000 2.453 71 K HA 0.146 4.466 4.320 -0.000 0.000 0.280 71 K C 1.278 177.960 176.600 0.137 0.000 1.045 71 K CA 1.280 57.667 56.287 0.167 0.000 1.059 71 K CB -0.096 32.480 32.500 0.126 0.000 0.901 71 K HN 0.432 nan 8.250 nan 0.000 0.475 72 G N 2.639 111.527 108.800 0.147 0.000 2.199 72 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.254 72 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.254 72 G C 0.298 175.259 174.900 0.101 0.000 0.982 72 G CA 0.596 45.767 45.100 0.119 0.000 0.632 72 G HN 0.751 nan 8.290 nan 0.000 0.529 73 T N -2.264 112.285 114.554 -0.007 0.000 3.533 73 T HA 0.412 4.762 4.350 -0.000 0.000 0.275 73 T C 0.823 175.213 174.700 -0.516 0.000 1.000 73 T CA 0.643 62.530 62.100 -0.355 0.000 1.015 73 T CB 0.387 69.023 68.868 -0.387 0.000 1.153 73 T HN 0.197 nan 8.240 nan 0.000 0.504 74 N N 1.678 120.243 118.700 -0.225 0.000 2.258 74 N HA -0.134 4.606 4.740 -0.000 0.000 0.187 74 N C 1.701 177.063 175.510 -0.245 0.000 1.012 74 N CA 2.047 54.935 53.050 -0.269 0.000 0.870 74 N CB -0.280 37.966 38.487 -0.402 0.000 0.977 74 N HN 0.830 nan 8.380 nan 0.000 0.434 75 W N -1.128 120.066 121.300 -0.177 0.000 2.611 75 W HA 0.211 4.871 4.660 -0.000 0.000 0.251 75 W C 0.832 177.478 176.519 0.213 0.000 1.265 75 W CA 0.504 57.734 57.345 -0.193 0.000 1.295 75 W CB -0.608 28.338 29.460 -0.857 0.000 1.129 75 W HN 0.103 nan 8.180 nan 0.000 0.630 76 A N 0.575 123.172 122.820 -0.371 0.000 2.430 76 A HA 0.067 4.387 4.320 -0.000 0.000 0.243 76 A C 1.353 179.130 177.584 0.321 0.000 1.254 76 A CA 0.573 52.641 52.037 0.051 0.000 0.914 76 A CB -0.576 18.103 19.000 -0.535 0.000 0.998 76 A HN 0.113 nan 8.150 nan 0.000 0.515 77 D N -0.549 119.963 120.400 0.185 0.000 2.219 77 D HA 0.108 4.748 4.640 -0.000 0.000 0.205 77 D C 1.666 178.140 176.300 0.289 0.000 0.970 77 D CA 2.280 56.448 54.000 0.280 0.000 0.851 77 D CB 0.095 41.058 40.800 0.272 0.000 0.943 77 D HN 0.535 nan 8.370 nan 0.000 0.488 78 G N -0.977 107.951 108.800 0.213 0.000 2.475 78 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.209 78 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.209 78 G C -1.838 173.008 174.900 -0.089 0.000 1.127 78 G CA -0.216 44.936 45.100 0.087 0.000 0.681 78 G HN 0.296 nan 8.290 nan 0.000 0.517 79 P HA 0.357 nan 4.420 nan 0.000 0.253 79 P C 0.379 177.496 177.300 -0.306 0.000 1.159 79 P CA 1.140 63.886 63.100 -0.589 0.000 0.779 79 P CB 0.418 31.598 31.700 -0.867 0.000 0.745 80 A N 4.656 127.370 122.820 -0.177 0.000 2.524 80 A HA 0.253 4.573 4.320 -0.000 0.000 0.250 80 A C 0.529 177.931 177.584 -0.303 0.000 1.078 80 A CA 0.048 51.850 52.037 -0.391 0.000 0.761 80 A CB -1.085 17.709 19.000 -0.343 0.000 1.012 80 A HN 0.615 nan 8.150 nan 0.000 0.500 81 F N -0.270 119.597 119.950 -0.138 0.000 2.794 81 F HA -0.253 4.274 4.527 0.000 0.000 0.335 81 F C 0.703 176.433 175.800 -0.117 0.000 0.653 81 F CA 1.098 59.032 58.000 -0.109 0.000 1.266 81 F CB -1.956 37.009 39.000 -0.059 0.000 1.666 81 F HN 0.456 nan 8.300 nan 0.000 0.314 82 I N -0.803 119.685 120.570 -0.137 0.000 3.366 82 I HA 0.105 4.275 4.170 -0.000 0.000 0.267 82 I C 1.474 177.498 176.117 -0.155 0.000 1.149 82 I CA 1.370 62.520 61.300 -0.251 0.000 1.436 82 I CB -0.263 37.349 38.000 -0.647 0.000 1.379 82 I HN 0.034 nan 8.210 nan 0.000 0.460 83 N N -0.271 118.353 118.700 -0.127 0.000 2.171 83 N HA 0.215 4.955 4.740 -0.000 0.000 0.212 83 N C -0.441 175.265 175.510 0.326 0.000 1.184 83 N CA -0.221 52.861 53.050 0.054 0.000 0.888 83 N CB 0.620 39.094 38.487 -0.022 0.000 1.038 83 N HN 0.412 nan 8.380 nan 0.000 0.517 84 Q N -1.826 118.012 119.800 0.063 0.000 2.900 84 Q HA 0.410 4.750 4.340 -0.000 0.000 0.297 84 Q C -1.748 173.976 176.000 -0.460 0.000 0.889 84 Q CA -0.941 54.786 55.803 -0.127 0.000 0.777 84 Q CB 0.396 29.135 28.738 0.001 0.000 1.518 84 Q HN -0.068 nan 8.270 nan 0.000 0.430 85 c N 1.659 119.882 118.600 -0.628 0.000 2.398 85 c HA 0.655 5.225 4.570 -0.000 0.000 0.364 85 c C -2.090 171.547 174.090 -0.756 0.000 1.219 85 c CA -0.990 54.877 56.329 -0.771 0.000 2.312 85 c CB 0.449 42.630 42.510 -0.547 0.000 2.428 85 c HN 0.657 nan 8.230 nan 0.000 0.564 86 P HA 0.173 nan 4.420 nan 0.000 0.270 86 P C -0.591 176.521 177.300 -0.314 0.000 1.223 86 P CA 0.200 62.952 63.100 -0.579 0.000 0.785 86 P CB 0.288 31.613 31.700 -0.625 0.000 0.923 87 I N 0.392 120.896 120.570 -0.110 0.000 2.720 87 I HA 0.096 4.266 4.170 -0.000 0.000 0.287 87 I C 0.716 176.901 176.117 0.113 0.000 1.090 87 I CA 0.223 61.521 61.300 -0.003 0.000 1.384 87 I CB 0.514 38.594 38.000 0.133 0.000 1.420 87 I HN 0.246 nan 8.210 nan 0.000 0.575 88 S N 2.969 118.760 115.700 0.152 0.000 2.565 88 S HA 0.220 4.690 4.470 -0.000 0.000 0.290 88 S C -0.109 174.670 174.600 0.299 0.000 1.150 88 S CA -0.601 57.746 58.200 0.245 0.000 1.058 88 S CB 1.668 64.996 63.200 0.214 0.000 1.032 88 S HN 0.695 nan 8.310 nan 0.000 0.510 89 S N 1.056 116.898 115.700 0.236 0.000 2.558 89 S HA 0.385 4.855 4.470 -0.000 0.000 0.288 89 S C 1.429 176.110 174.600 0.135 0.000 1.318 89 S CA 0.871 59.176 58.200 0.176 0.000 1.056 89 S CB -0.313 62.970 63.200 0.137 0.000 0.853 89 S HN 1.491 nan 8.310 nan 0.000 0.505 90 G N 3.159 111.989 108.800 0.051 0.000 2.179 90 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.260 90 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.260 90 G C 0.092 174.826 174.900 -0.276 0.000 0.977 90 G CA 0.464 45.502 45.100 -0.103 0.000 0.641 90 G HN 0.848 nan 8.290 nan 0.000 0.533 91 H N -0.180 118.944 119.070 0.090 0.000 2.834 91 H HA 0.739 5.295 4.556 0.000 0.000 0.369 91 H C 0.022 175.427 175.328 0.128 0.000 1.174 91 H CA 0.201 56.307 56.048 0.098 0.000 1.165 91 H CB 2.065 31.882 29.762 0.091 0.000 1.820 91 H HN 0.550 nan 8.280 nan 0.000 0.558 92 S N 0.767 116.638 115.700 0.283 0.000 2.599 92 S HA 0.675 5.145 4.470 -0.000 0.000 0.287 92 S C -1.281 173.511 174.600 0.319 0.000 1.105 92 S CA -0.814 57.540 58.200 0.257 0.000 0.899 92 S CB 2.497 65.803 63.200 0.178 0.000 1.100 92 S HN 0.421 nan 8.310 nan 0.000 0.482 93 F N 1.157 121.179 119.950 0.121 0.000 2.591 93 F HA 0.702 5.229 4.527 -0.000 0.000 0.309 93 F C -1.809 174.023 175.800 0.053 0.000 1.098 93 F CA -1.321 56.710 58.000 0.052 0.000 0.937 93 F CB 1.772 40.768 39.000 -0.006 0.000 1.250 93 F HN 0.715 nan 8.300 nan 0.000 0.447 94 L N 6.617 127.381 121.223 -0.766 0.000 2.257 94 L HA 0.455 4.795 4.340 -0.000 0.000 0.290 94 L C -1.724 174.779 176.870 -0.612 0.000 1.044 94 L CA -0.271 54.273 54.840 -0.494 0.000 0.810 94 L CB 0.299 42.191 42.059 -0.278 0.000 1.193 94 L HN 0.538 nan 8.230 nan 0.000 0.425 95 Y N 3.696 123.943 120.300 -0.087 0.000 2.425 95 Y HA 0.362 4.912 4.550 -0.000 0.000 0.347 95 Y C -0.151 175.704 175.900 -0.074 0.000 0.976 95 Y CA -0.304 57.840 58.100 0.073 0.000 1.190 95 Y CB 0.821 39.437 38.460 0.260 0.000 1.136 95 Y HN 0.553 nan 8.280 nan 0.000 0.517 96 D N 5.616 126.094 120.400 0.131 0.000 2.469 96 D HA 0.337 4.977 4.640 -0.000 0.000 0.251 96 D C -1.329 174.982 176.300 0.019 0.000 1.173 96 D CA -0.414 53.576 54.000 -0.016 0.000 0.882 96 D CB 0.168 41.011 40.800 0.072 0.000 1.129 96 D HN 0.245 nan 8.370 nan 0.000 0.549 97 F N 0.213 120.069 119.950 -0.157 0.000 2.662 97 F HA 0.590 5.117 4.527 0.000 0.000 0.312 97 F C -0.928 174.798 175.800 -0.122 0.000 1.113 97 F CA -1.023 56.866 58.000 -0.184 0.000 0.951 97 F CB 1.104 39.905 39.000 -0.332 0.000 1.344 97 F HN 0.029 nan 8.300 nan 0.000 0.462 98 Q N 0.861 120.724 119.800 0.106 0.000 2.306 98 Q HA 0.697 5.037 4.340 -0.000 0.000 0.265 98 Q C -1.334 174.749 176.000 0.137 0.000 1.022 98 Q CA -1.316 54.527 55.803 0.067 0.000 0.853 98 Q CB 3.076 31.840 28.738 0.043 0.000 1.327 98 Q HN 0.640 nan 8.270 nan 0.000 0.449 99 V N 3.622 123.612 119.914 0.126 0.000 2.260 99 V HA 0.294 4.414 4.120 -0.000 0.000 0.263 99 V C -2.254 173.910 176.094 0.117 0.000 1.036 99 V CA -1.163 61.192 62.300 0.092 0.000 0.874 99 V CB 0.521 32.339 31.823 -0.009 0.000 1.116 99 V HN 0.612 nan 8.190 nan 0.000 0.454 100 P HA 0.488 nan 4.420 nan 0.000 0.285 100 P C 0.308 177.678 177.300 0.116 0.000 1.280 100 P CA 0.730 63.890 63.100 0.101 0.000 0.862 100 P CB 1.712 33.464 31.700 0.086 0.000 1.153 101 D N -1.717 118.749 120.400 0.110 0.000 3.059 101 D HA -0.212 4.428 4.640 -0.000 0.000 0.213 101 D C 0.099 176.477 176.300 0.131 0.000 1.144 101 D CA 1.622 55.695 54.000 0.122 0.000 0.975 101 D CB -2.047 38.839 40.800 0.145 0.000 1.125 101 D HN 0.628 nan 8.370 nan 0.000 0.412 102 Q N -1.261 118.608 119.800 0.115 0.000 2.372 102 Q HA 0.757 5.097 4.340 -0.000 0.000 0.273 102 Q C -0.809 175.293 176.000 0.170 0.000 1.078 102 Q CA -0.072 55.793 55.803 0.104 0.000 0.806 102 Q CB 2.493 31.232 28.738 0.002 0.000 1.332 102 Q HN 1.390 nan 8.270 nan 0.000 0.435 103 A N 0.928 123.872 122.820 0.207 0.000 2.547 103 A HA 0.865 5.185 4.320 -0.000 0.000 0.298 103 A C -0.588 177.097 177.584 0.168 0.000 1.062 103 A CA 0.241 52.417 52.037 0.232 0.000 0.748 103 A CB 1.464 20.564 19.000 0.167 0.000 1.288 103 A HN 0.905 nan 8.150 nan 0.000 0.396 104 G N -0.120 108.798 108.800 0.197 0.000 2.373 104 G HA2 0.523 4.483 3.960 -0.000 0.000 0.250 104 G HA3 0.523 4.483 3.960 -0.000 0.000 0.250 104 G C -0.691 174.109 174.900 -0.168 0.000 1.304 104 G CA 0.185 45.235 45.100 -0.083 0.000 0.948 104 G HN 1.268 nan 8.290 nan 0.000 0.474 105 T N 1.093 115.360 114.554 -0.478 0.000 2.795 105 T HA 0.751 5.101 4.350 -0.000 0.000 0.282 105 T C -0.800 173.484 174.700 -0.693 0.000 0.980 105 T CA 0.189 62.075 62.100 -0.357 0.000 1.012 105 T CB 0.836 69.552 68.868 -0.252 0.000 0.936 105 T HN 0.419 nan 8.240 nan 0.000 0.457 106 F N 0.741 120.646 119.950 -0.075 0.000 2.922 106 F HA 0.823 5.350 4.527 -0.000 0.000 0.345 106 F C -1.004 174.968 175.800 0.286 0.000 1.209 106 F CA -1.096 56.869 58.000 -0.058 0.000 1.018 106 F CB 1.548 40.267 39.000 -0.468 0.000 1.472 106 F HN 0.637 nan 8.300 nan 0.000 0.521 107 W N 0.405 121.851 121.300 0.245 0.000 3.057 107 W HA 0.531 5.191 4.660 -0.000 0.000 0.328 107 W C -2.627 174.091 176.519 0.332 0.000 1.232 107 W CA -1.815 55.691 57.345 0.268 0.000 1.187 107 W CB 0.059 29.519 29.460 0.000 0.000 1.417 107 W HN 0.619 nan 8.180 nan 0.000 0.569 108 Y N 0.432 120.874 120.300 0.237 0.000 2.562 108 Y HA 0.842 5.392 4.550 -0.000 0.000 0.343 108 Y C -0.711 175.076 175.900 -0.188 0.000 1.025 108 Y CA -1.262 56.728 58.100 -0.183 0.000 1.082 108 Y CB 1.719 40.198 38.460 0.032 0.000 1.264 108 Y HN 0.749 nan 8.280 nan 0.000 0.478 109 H N -1.558 117.276 119.070 -0.394 0.000 3.043 109 H HA 0.408 4.964 4.556 -0.000 0.000 0.317 109 H C -1.218 174.003 175.328 -0.178 0.000 1.321 109 H CA -0.847 55.009 56.048 -0.320 0.000 1.243 109 H CB 0.573 29.956 29.762 -0.631 0.000 1.924 109 H HN 0.830 nan 8.280 nan 0.000 0.527 110 S N 0.605 116.396 115.700 0.151 0.000 2.558 110 S HA -0.046 4.424 4.470 -0.000 0.000 0.291 110 S C 0.037 174.783 174.600 0.243 0.000 1.306 110 S CA -0.038 58.257 58.200 0.158 0.000 1.056 110 S CB -0.028 63.304 63.200 0.219 0.000 0.836 110 S HN 0.833 nan 8.310 nan 0.000 0.504 111 H N 3.843 122.961 119.070 0.080 0.000 2.505 111 H HA 0.385 4.941 4.556 -0.000 0.000 0.260 111 H C -1.012 174.367 175.328 0.085 0.000 1.168 111 H CA -0.397 55.719 56.048 0.114 0.000 0.945 111 H CB 0.141 29.910 29.762 0.013 0.000 1.800 111 H HN 0.468 nan 8.280 nan 0.000 0.586 112 L N 1.097 122.429 121.223 0.181 0.000 2.342 112 L HA 0.343 4.683 4.340 -0.000 0.000 0.276 112 L C 0.536 177.481 176.870 0.125 0.000 0.997 112 L CA 0.416 55.345 54.840 0.148 0.000 0.838 112 L CB 1.053 43.171 42.059 0.099 0.000 1.224 112 L HN 0.323 nan 8.230 nan 0.000 0.416 113 S N 3.163 118.946 115.700 0.138 0.000 3.469 113 S HA -0.301 4.169 4.470 -0.000 0.000 0.628 113 S C 1.011 175.587 174.600 -0.040 0.000 2.687 113 S CA 1.813 60.053 58.200 0.067 0.000 3.829 113 S CB -1.443 61.797 63.200 0.067 0.000 0.258 113 S HN 1.500 nan 8.310 nan 0.000 1.222 114 T N 0.141 114.635 114.554 -0.100 0.000 3.188 114 T HA 0.300 4.650 4.350 -0.000 0.000 0.250 114 T C 1.502 176.081 174.700 -0.201 0.000 1.077 114 T CA 1.034 62.975 62.100 -0.266 0.000 0.967 114 T CB 0.030 68.726 68.868 -0.287 0.000 1.006 114 T HN 0.688 nan 8.240 nan 0.000 0.552 115 Q N 1.042 120.815 119.800 -0.045 0.000 2.248 115 Q HA -0.239 4.101 4.340 -0.000 0.000 0.208 115 Q C 1.874 177.944 176.000 0.117 0.000 0.984 115 Q CA 1.782 57.612 55.803 0.044 0.000 0.875 115 Q CB -0.459 28.339 28.738 0.100 0.000 0.910 115 Q HN 0.914 nan 8.270 nan 0.000 0.433 116 Y N -1.551 118.781 120.300 0.054 0.000 2.509 116 Y HA -0.024 4.526 4.550 -0.000 0.000 0.293 116 Y C 1.770 177.743 175.900 0.121 0.000 1.133 116 Y CA 0.441 58.609 58.100 0.113 0.000 1.283 116 Y CB -0.886 37.658 38.460 0.141 0.000 1.001 116 Y HN 0.164 nan 8.280 nan 0.000 0.555 117 c N 0.758 119.252 118.600 -0.177 0.000 2.450 117 c HA -0.098 4.472 4.570 -0.000 0.000 0.279 117 c C 1.907 176.061 174.090 0.107 0.000 1.335 117 c CA 0.915 57.184 56.329 -0.100 0.000 1.749 117 c CB -0.784 41.511 42.510 -0.358 0.000 1.963 117 c HN 0.538 nan 8.230 nan 0.000 0.501 118 D N -0.161 120.292 120.400 0.088 0.000 2.363 118 D HA 0.169 4.809 4.640 -0.000 0.000 0.226 118 D C 1.745 178.253 176.300 0.346 0.000 1.020 118 D CA 1.294 55.374 54.000 0.134 0.000 0.892 118 D CB 0.084 40.937 40.800 0.088 0.000 0.900 118 D HN 0.686 nan 8.370 nan 0.000 0.531 119 G N 0.208 109.262 108.800 0.423 0.000 2.705 119 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.193 119 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.193 119 G C 0.075 175.158 174.900 0.304 0.000 1.015 119 G CA -0.412 44.951 45.100 0.438 0.000 0.743 119 G HN 0.218 nan 8.290 nan 0.000 0.476 120 L N 3.495 124.890 121.223 0.288 0.000 2.415 120 L HA 0.681 5.021 4.340 -0.000 0.000 0.269 120 L C 0.654 177.658 176.870 0.223 0.000 1.244 120 L CA -0.313 54.676 54.840 0.248 0.000 1.113 120 L CB -1.472 40.729 42.059 0.237 0.000 1.352 120 L HN 0.520 nan 8.230 nan 0.000 0.433 121 R N 2.395 122.964 120.500 0.115 0.000 2.604 121 R HA 0.853 5.193 4.340 -0.000 0.000 0.261 121 R C -0.826 175.304 176.300 -0.282 0.000 1.080 121 R CA -0.815 55.271 56.100 -0.023 0.000 0.917 121 R CB 1.068 31.521 30.300 0.256 0.000 1.252 121 R HN 0.424 nan 8.270 nan 0.000 0.456 122 G N 1.596 109.948 108.800 -0.748 0.000 2.677 122 G HA2 0.602 4.562 3.960 -0.000 0.000 0.291 122 G HA3 0.602 4.562 3.960 -0.000 0.000 0.291 122 G C -3.158 171.663 174.900 -0.132 0.000 1.435 122 G CA -1.420 43.355 45.100 -0.542 0.000 0.826 122 G HN 0.404 nan 8.290 nan 0.000 0.491 123 P HA 0.463 nan 4.420 nan 0.000 0.279 123 P C -1.542 176.065 177.300 0.512 0.000 1.239 123 P CA -0.332 62.951 63.100 0.305 0.000 0.789 123 P CB 1.551 33.338 31.700 0.146 0.000 0.933 124 F N 3.289 123.469 119.950 0.382 0.000 2.539 124 F HA 0.381 4.908 4.527 0.000 0.000 0.328 124 F C -1.307 174.664 175.800 0.286 0.000 1.148 124 F CA -1.014 57.211 58.000 0.374 0.000 0.940 124 F CB 1.414 40.711 39.000 0.494 0.000 1.194 124 F HN -0.013 nan 8.300 nan 0.000 0.438 125 V N 6.250 126.446 119.914 0.470 0.000 2.540 125 V HA 0.546 4.666 4.120 -0.000 0.000 0.302 125 V C -0.897 175.263 176.094 0.109 0.000 1.035 125 V CA -0.888 61.536 62.300 0.207 0.000 0.873 125 V CB 1.898 33.609 31.823 -0.185 0.000 0.992 125 V HN 0.469 nan 8.190 nan 0.000 0.428 126 V N 5.480 125.496 119.914 0.170 0.000 2.326 126 V HA 0.421 4.541 4.120 -0.000 0.000 0.281 126 V C -0.676 175.443 176.094 0.041 0.000 1.015 126 V CA -0.765 61.649 62.300 0.189 0.000 0.823 126 V CB 0.866 32.879 31.823 0.316 0.000 1.009 126 V HN 0.717 nan 8.190 nan 0.000 0.436 127 Y N 1.970 122.410 120.300 0.235 0.000 2.326 127 Y HA 0.380 4.930 4.550 0.000 0.000 0.333 127 Y C 0.660 176.648 175.900 0.147 0.000 1.240 127 Y CA -0.367 57.831 58.100 0.165 0.000 1.365 127 Y CB 0.551 39.085 38.460 0.123 0.000 1.289 127 Y HN 0.522 nan 8.280 nan 0.000 0.548 128 D N 2.276 122.855 120.400 0.299 0.000 2.414 128 D HA 0.295 4.935 4.640 -0.000 0.000 0.232 128 D C -2.079 174.315 176.300 0.157 0.000 1.070 128 D CA -2.503 51.613 54.000 0.194 0.000 0.839 128 D CB 1.663 42.557 40.800 0.157 0.000 1.079 128 D HN 0.186 nan 8.370 nan 0.000 0.521 129 P HA -0.089 nan 4.420 nan 0.000 0.218 129 P C 0.174 177.503 177.300 0.049 0.000 1.146 129 P CA 0.937 64.080 63.100 0.072 0.000 0.813 129 P CB 0.163 31.896 31.700 0.055 0.000 0.778 130 N N -1.573 117.160 118.700 0.055 0.000 2.599 130 N HA 0.027 4.767 4.740 -0.000 0.000 0.309 130 N C -0.705 174.830 175.510 0.042 0.000 1.743 130 N CA -0.217 52.853 53.050 0.034 0.000 0.918 130 N CB -0.364 38.139 38.487 0.027 0.000 1.339 130 N HN -0.055 nan 8.380 nan 0.000 0.493 131 D N 1.826 122.263 120.400 0.061 0.000 2.487 131 D HA 0.045 4.685 4.640 -0.000 0.000 0.243 131 D C -1.207 175.115 176.300 0.036 0.000 1.154 131 D CA -0.975 53.072 54.000 0.078 0.000 0.876 131 D CB 1.756 42.639 40.800 0.137 0.000 1.161 131 D HN 0.140 nan 8.370 nan 0.000 0.478 132 P HA -0.082 nan 4.420 nan 0.000 0.216 132 P C 0.444 177.748 177.300 0.007 0.000 1.150 132 P CA 1.055 64.169 63.100 0.024 0.000 0.837 132 P CB 0.238 31.961 31.700 0.038 0.000 0.786 133 A N -0.975 121.867 122.820 0.035 0.000 2.370 133 A HA 0.453 4.773 4.320 -0.000 0.000 0.238 133 A C 1.966 179.446 177.584 -0.172 0.000 1.289 133 A CA 0.569 52.621 52.037 0.025 0.000 0.885 133 A CB -0.997 18.096 19.000 0.155 0.000 0.961 133 A HN 0.126 nan 8.150 nan 0.000 0.499 134 A N 0.486 123.159 122.820 -0.245 0.000 1.940 134 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 134 A C 1.543 178.740 177.584 -0.645 0.000 1.176 134 A CA 1.747 53.449 52.037 -0.557 0.000 0.631 134 A CB -0.356 18.495 19.000 -0.249 0.000 0.814 134 A HN 0.430 nan 8.150 nan 0.000 0.446 135 D N -0.303 119.896 120.400 -0.336 0.000 2.378 135 D HA -0.015 4.625 4.640 -0.000 0.000 0.222 135 D C 1.408 177.574 176.300 -0.224 0.000 0.980 135 D CA 0.564 54.418 54.000 -0.243 0.000 0.907 135 D CB -0.072 40.650 40.800 -0.131 0.000 0.899 135 D HN 0.481 nan 8.370 nan 0.000 0.527 136 L N -0.305 120.758 121.223 -0.266 0.000 2.592 136 L HA 0.052 4.392 4.340 -0.000 0.000 0.227 136 L C -0.081 176.791 176.870 0.004 0.000 1.127 136 L CA 0.008 54.800 54.840 -0.080 0.000 0.884 136 L CB -0.098 41.993 42.059 0.055 0.000 1.065 136 L HN 0.035 nan 8.230 nan 0.000 0.457 137 Y N -5.156 115.106 120.300 -0.064 0.000 2.609 137 Y HA 0.410 4.960 4.550 -0.000 0.000 0.336 137 Y C -0.098 175.706 175.900 -0.161 0.000 1.129 137 Y CA -1.454 56.575 58.100 -0.117 0.000 1.040 137 Y CB 0.506 38.889 38.460 -0.129 0.000 1.310 137 Y HN -0.208 nan 8.280 nan 0.000 0.460 138 D N 0.613 120.994 120.400 -0.032 0.000 2.394 138 D HA 0.155 4.795 4.640 -0.000 0.000 0.226 138 D C -0.294 175.909 176.300 -0.161 0.000 0.990 138 D CA 0.962 54.876 54.000 -0.143 0.000 0.902 138 D CB 1.226 41.888 40.800 -0.231 0.000 1.038 138 D HN 0.264 nan 8.370 nan 0.000 0.499 139 V N 1.258 120.989 119.914 -0.304 0.000 2.604 139 V HA 0.406 4.526 4.120 -0.000 0.000 0.305 139 V C -1.024 174.945 176.094 -0.208 0.000 1.043 139 V CA -0.696 61.430 62.300 -0.291 0.000 0.888 139 V CB 2.270 33.793 31.823 -0.499 0.000 0.995 139 V HN -0.058 nan 8.190 nan 0.000 0.429 140 D N 3.142 123.470 120.400 -0.120 0.000 2.362 140 D HA 0.358 4.998 4.640 -0.000 0.000 0.232 140 D C -0.612 175.653 176.300 -0.059 0.000 1.329 140 D CA -0.276 53.651 54.000 -0.122 0.000 0.944 140 D CB 0.762 41.490 40.800 -0.119 0.000 1.471 140 D HN 0.704 nan 8.370 nan 0.000 0.533 141 N N 0.846 119.543 118.700 -0.005 0.000 3.600 141 N HA 0.332 5.072 4.740 -0.000 0.000 0.348 141 N C 0.285 175.863 175.510 0.113 0.000 1.649 141 N CA -0.512 52.554 53.050 0.026 0.000 0.710 141 N CB 0.076 38.553 38.487 -0.017 0.000 2.380 141 N HN -0.178 nan 8.380 nan 0.000 0.631 142 D N -0.666 119.792 120.400 0.097 0.000 2.218 142 D HA -0.046 4.594 4.640 -0.000 0.000 0.204 142 D C 0.055 176.407 176.300 0.087 0.000 0.976 142 D CA 1.092 55.152 54.000 0.101 0.000 0.853 142 D CB -0.203 40.643 40.800 0.077 0.000 0.939 142 D HN 0.445 nan 8.370 nan 0.000 0.481 143 D N -0.886 119.564 120.400 0.084 0.000 2.339 143 D HA -0.010 4.630 4.640 -0.000 0.000 0.217 143 D C 1.316 177.711 176.300 0.158 0.000 1.050 143 D CA 0.524 54.582 54.000 0.098 0.000 0.856 143 D CB 0.285 41.138 40.800 0.089 0.000 0.922 143 D HN 0.282 nan 8.370 nan 0.000 0.518 144 T N -2.213 112.426 114.554 0.141 0.000 3.134 144 T HA 0.213 4.563 4.350 -0.000 0.000 0.260 144 T C 0.559 175.384 174.700 0.209 0.000 1.027 144 T CA -0.298 61.929 62.100 0.213 0.000 0.913 144 T CB 0.173 68.950 68.868 -0.151 0.000 1.046 144 T HN -0.264 nan 8.240 nan 0.000 0.553 145 V N 2.577 122.561 119.914 0.116 0.000 2.432 145 V HA 0.478 4.598 4.120 -0.000 0.000 0.275 145 V C -0.055 176.048 176.094 0.014 0.000 1.043 145 V CA -0.762 61.566 62.300 0.047 0.000 0.925 145 V CB 0.985 32.837 31.823 0.048 0.000 0.985 145 V HN 0.486 nan 8.190 nan 0.000 0.466 146 I N 4.807 125.344 120.570 -0.055 0.000 2.410 146 I HA 0.398 4.568 4.170 -0.000 0.000 0.286 146 I C 0.183 176.204 176.117 -0.161 0.000 1.009 146 I CA -0.338 60.898 61.300 -0.107 0.000 1.111 146 I CB 2.111 40.016 38.000 -0.160 0.000 1.262 146 I HN 0.669 nan 8.210 nan 0.000 0.443 147 T N 4.966 119.434 114.554 -0.144 0.000 2.824 147 T HA 0.722 5.072 4.350 -0.000 0.000 0.280 147 T C -0.543 174.026 174.700 -0.219 0.000 0.995 147 T CA -0.751 61.234 62.100 -0.191 0.000 1.009 147 T CB 1.582 70.363 68.868 -0.145 0.000 0.955 147 T HN 0.339 nan 8.240 nan 0.000 0.452 148 L N 3.064 124.116 121.223 -0.286 0.000 2.313 148 L HA 0.726 5.066 4.340 -0.000 0.000 0.283 148 L C -0.812 175.910 176.870 -0.245 0.000 1.013 148 L CA -1.186 53.447 54.840 -0.345 0.000 0.816 148 L CB 1.914 43.686 42.059 -0.479 0.000 1.236 148 L HN 0.491 nan 8.230 nan 0.000 0.419 149 V N 1.688 121.498 119.914 -0.174 0.000 2.709 149 V HA 0.272 4.392 4.120 -0.000 0.000 0.308 149 V C -0.891 175.274 176.094 0.118 0.000 1.062 149 V CA -0.816 61.492 62.300 0.013 0.000 0.901 149 V CB 2.442 34.291 31.823 0.043 0.000 1.003 149 V HN 0.753 nan 8.190 nan 0.000 0.425 150 D N 2.964 123.495 120.400 0.218 0.000 2.456 150 D HA 0.056 4.696 4.640 -0.000 0.000 0.219 150 D C -0.464 175.855 176.300 0.032 0.000 1.126 150 D CA -0.365 53.702 54.000 0.111 0.000 0.890 150 D CB 0.821 41.677 40.800 0.093 0.000 1.025 150 D HN 0.612 nan 8.370 nan 0.000 0.511 151 W N 3.770 124.933 121.300 -0.228 0.000 2.338 151 W HA 0.288 4.948 4.660 0.000 0.000 0.307 151 W C -1.329 174.994 176.519 -0.327 0.000 1.167 151 W CA -0.764 56.497 57.345 -0.139 0.000 1.208 151 W CB 0.923 30.389 29.460 0.009 0.000 1.228 151 W HN 0.259 nan 8.180 nan 0.000 0.499 152 Y N 3.088 123.048 120.300 -0.566 0.000 2.420 152 Y HA 0.179 4.729 4.550 -0.000 0.000 0.334 152 Y C 1.311 176.961 175.900 -0.417 0.000 1.094 152 Y CA -0.545 57.306 58.100 -0.415 0.000 1.126 152 Y CB 1.278 39.580 38.460 -0.265 0.000 1.217 152 Y HN 0.439 nan 8.280 nan 0.000 0.462 153 H N 0.276 119.263 119.070 -0.139 0.000 2.512 153 H HA 0.147 4.703 4.556 0.000 0.000 0.279 153 H C -0.307 175.054 175.328 0.055 0.000 0.999 153 H CA 0.125 56.141 56.048 -0.054 0.000 1.283 153 H CB 0.532 30.039 29.762 -0.426 0.000 1.421 153 H HN 0.200 nan 8.280 nan 0.000 0.554 154 V N 1.498 121.482 119.914 0.118 0.000 2.472 154 V HA 0.376 4.496 4.120 -0.000 0.000 0.290 154 V C 0.344 176.438 176.094 0.000 0.000 1.037 154 V CA -0.836 61.506 62.300 0.069 0.000 0.908 154 V CB 1.410 33.251 31.823 0.031 0.000 0.985 154 V HN 0.298 nan 8.190 nan 0.000 0.454 155 A N 3.556 126.376 122.820 -0.000 0.000 2.492 155 A HA 0.513 4.833 4.320 -0.000 0.000 0.236 155 A C 1.644 179.190 177.584 -0.064 0.000 1.078 155 A CA 0.542 52.559 52.037 -0.033 0.000 0.773 155 A CB 0.051 19.050 19.000 -0.002 0.000 1.023 155 A HN 1.393 nan 8.150 nan 0.000 0.504 156 A N 1.190 123.967 122.820 -0.072 0.000 1.873 156 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 156 A C 1.882 179.449 177.584 -0.030 0.000 1.193 156 A CA 2.039 54.046 52.037 -0.050 0.000 0.629 156 A CB -0.493 18.468 19.000 -0.065 0.000 0.826 156 A HN 0.827 nan 8.150 nan 0.000 0.447 157 K N -0.702 119.675 120.400 -0.037 0.000 2.486 157 K HA 0.209 4.529 4.320 -0.000 0.000 0.194 157 K C 1.242 177.816 176.600 -0.042 0.000 1.033 157 K CA 0.398 56.662 56.287 -0.039 0.000 1.004 157 K CB -0.082 32.390 32.500 -0.047 0.000 0.798 157 K HN 0.478 nan 8.250 nan 0.000 0.495 158 L N -0.602 120.597 121.223 -0.040 0.000 2.515 158 L HA 0.125 4.465 4.340 -0.000 0.000 0.223 158 L C 1.453 178.296 176.870 -0.046 0.000 1.079 158 L CA -0.175 54.646 54.840 -0.031 0.000 0.857 158 L CB 0.115 42.168 42.059 -0.009 0.000 1.050 158 L HN 0.103 nan 8.230 nan 0.000 0.476 159 G N 0.069 108.825 108.800 -0.073 0.000 2.531 159 G HA2 0.377 4.337 3.960 -0.000 0.000 0.253 159 G HA3 0.377 4.337 3.960 -0.000 0.000 0.253 159 G C -2.423 172.399 174.900 -0.131 0.000 1.439 159 G CA -0.683 44.359 45.100 -0.097 0.000 1.056 159 G HN -0.065 nan 8.290 nan 0.000 0.555 160 P HA 0.307 nan 4.420 nan 0.000 0.272 160 P C 0.599 177.727 177.300 -0.286 0.000 1.223 160 P CA 0.238 63.228 63.100 -0.183 0.000 0.784 160 P CB 1.147 32.757 31.700 -0.151 0.000 0.923 161 A N 1.335 123.953 122.820 -0.338 0.000 1.972 161 A HA -0.057 4.263 4.320 -0.000 0.000 0.219 161 A C 0.389 177.522 177.584 -0.753 0.000 1.169 161 A CA 1.415 53.117 52.037 -0.557 0.000 0.635 161 A CB -0.819 17.723 19.000 -0.763 0.000 0.810 161 A HN 0.490 nan 8.150 nan 0.000 0.446 162 F N -1.297 118.557 119.950 -0.160 0.000 2.686 162 F HA 0.387 4.914 4.527 0.000 0.000 0.365 162 F C -1.890 173.727 175.800 -0.305 0.000 1.196 162 F CA -2.700 55.170 58.000 -0.217 0.000 1.198 162 F CB 0.855 39.836 39.000 -0.032 0.000 1.454 162 F HN -0.037 nan 8.300 nan 0.000 0.539 163 P HA -0.257 nan 4.420 nan 0.000 0.219 163 P C 0.781 178.069 177.300 -0.019 0.000 1.158 163 P CA 1.499 64.448 63.100 -0.252 0.000 0.895 163 P CB 0.243 31.689 31.700 -0.423 0.000 0.792 164 L N -3.449 117.804 121.223 0.050 0.000 3.730 164 L HA -0.109 4.231 4.340 -0.000 0.000 0.410 164 L C 0.115 177.194 176.870 0.348 0.000 1.234 164 L CA 1.141 55.981 54.840 -0.000 0.000 0.911 164 L CB -1.704 40.298 42.059 -0.094 0.000 1.942 164 L HN 0.398 nan 8.230 nan 0.000 0.860 165 G N -1.314 107.864 108.800 0.629 0.000 2.521 165 G HA2 0.600 4.560 3.960 -0.000 0.000 0.589 165 G HA3 0.600 4.560 3.960 -0.000 0.000 0.589 165 G C -0.476 174.487 174.900 0.106 0.000 1.501 165 G CA -0.402 44.893 45.100 0.325 0.000 0.887 165 G HN 1.421 nan 8.290 nan 0.000 0.654 166 A N 1.164 123.880 122.820 -0.173 0.000 2.295 166 A HA 0.749 5.069 4.320 -0.000 0.000 0.318 166 A C 1.035 178.402 177.584 -0.362 0.000 1.134 166 A CA 0.026 51.738 52.037 -0.542 0.000 0.827 166 A CB 0.689 19.268 19.000 -0.702 0.000 1.136 166 A HN 0.616 nan 8.150 nan 0.000 0.493 167 D N 0.302 120.439 120.400 -0.438 0.000 2.269 167 D HA 0.217 4.857 4.640 -0.000 0.000 0.208 167 D C 0.575 176.715 176.300 -0.265 0.000 0.963 167 D CA 1.913 55.654 54.000 -0.431 0.000 0.864 167 D CB 0.175 40.433 40.800 -0.904 0.000 0.936 167 D HN 0.742 nan 8.370 nan 0.000 0.505 168 A N -0.469 122.248 122.820 -0.172 0.000 2.582 168 A HA 0.441 4.761 4.320 -0.000 0.000 0.297 168 A C -0.735 176.848 177.584 -0.002 0.000 1.059 168 A CA -0.664 51.349 52.037 -0.041 0.000 0.705 168 A CB 1.218 20.263 19.000 0.075 0.000 1.279 168 A HN -0.115 nan 8.150 nan 0.000 0.404 169 T N 2.154 116.700 114.554 -0.013 0.000 2.806 169 T HA 0.533 4.883 4.350 -0.000 0.000 0.290 169 T C -0.562 174.108 174.700 -0.051 0.000 0.966 169 T CA -0.023 62.061 62.100 -0.027 0.000 1.060 169 T CB 0.389 69.216 68.868 -0.068 0.000 0.927 169 T HN 0.373 nan 8.240 nan 0.000 0.485 170 L N 4.267 125.448 121.223 -0.069 0.000 2.287 170 L HA 0.536 4.876 4.340 -0.000 0.000 0.287 170 L C -0.245 176.544 176.870 -0.134 0.000 1.022 170 L CA -0.324 54.464 54.840 -0.087 0.000 0.814 170 L CB 1.084 43.085 42.059 -0.095 0.000 1.217 170 L HN 0.614 nan 8.230 nan 0.000 0.420 171 I N 4.377 124.886 120.570 -0.102 0.000 2.355 171 I HA 0.295 4.465 4.170 -0.000 0.000 0.288 171 I C 0.042 176.116 176.117 -0.071 0.000 0.999 171 I CA -0.721 60.523 61.300 -0.093 0.000 1.163 171 I CB 0.976 38.951 38.000 -0.041 0.000 1.316 171 I HN 0.561 nan 8.210 nan 0.000 0.454 172 N N 5.191 123.842 118.700 -0.082 0.000 2.725 172 N HA -0.198 4.542 4.740 -0.000 0.000 0.251 172 N C 0.913 176.384 175.510 -0.065 0.000 1.031 172 N CA 1.359 54.372 53.050 -0.062 0.000 0.720 172 N CB -0.867 37.596 38.487 -0.039 0.000 0.930 172 N HN 1.146 nan 8.380 nan 0.000 0.543 173 G N -1.918 106.826 108.800 -0.094 0.000 2.267 173 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.257 173 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.257 173 G C 0.128 174.951 174.900 -0.129 0.000 0.998 173 G CA 1.025 46.053 45.100 -0.121 0.000 0.620 173 G HN 0.574 nan 8.290 nan 0.000 0.529 174 K N -0.167 120.183 120.400 -0.085 0.000 2.350 174 K HA 0.732 5.052 4.320 -0.000 0.000 0.241 174 K C 0.224 176.801 176.600 -0.038 0.000 0.994 174 K CA -0.312 55.939 56.287 -0.060 0.000 0.839 174 K CB 2.290 34.773 32.500 -0.028 0.000 1.244 174 K HN 0.881 nan 8.250 nan 0.000 0.443 175 G N 0.604 109.398 108.800 -0.010 0.000 2.320 175 G HA2 0.323 4.283 3.960 -0.000 0.000 0.296 175 G HA3 0.323 4.283 3.960 -0.000 0.000 0.296 175 G C -1.752 173.172 174.900 0.040 0.000 1.306 175 G CA -0.915 44.191 45.100 0.011 0.000 0.836 175 G HN 0.426 nan 8.290 nan 0.000 0.517 176 R N -0.640 119.884 120.500 0.039 0.000 2.807 176 R HA 0.760 5.100 4.340 -0.000 0.000 0.276 176 R C -0.202 176.125 176.300 0.045 0.000 0.979 176 R CA -0.604 55.529 56.100 0.056 0.000 0.928 176 R CB 2.185 32.511 30.300 0.043 0.000 1.191 176 R HN 0.825 nan 8.270 nan 0.000 0.471 177 S N 0.408 116.151 115.700 0.072 0.000 2.621 177 S HA 0.405 4.875 4.470 -0.000 0.000 0.302 177 S C -2.145 172.465 174.600 0.017 0.000 1.093 177 S CA -1.483 56.737 58.200 0.034 0.000 1.017 177 S CB 2.100 65.358 63.200 0.095 0.000 1.077 177 S HN 0.284 nan 8.310 nan 0.000 0.517 178 P HA -0.041 nan 4.420 nan 0.000 0.222 178 P C 0.957 178.262 177.300 0.008 0.000 1.142 178 P CA 1.027 64.114 63.100 -0.020 0.000 0.788 178 P CB 0.107 31.780 31.700 -0.044 0.000 0.767 179 S N -2.552 113.168 115.700 0.034 0.000 2.540 179 S HA 0.097 4.567 4.470 -0.000 0.000 0.218 179 S C 0.517 175.166 174.600 0.080 0.000 0.977 179 S CA 0.105 58.338 58.200 0.055 0.000 0.918 179 S CB -0.301 62.937 63.200 0.063 0.000 0.806 179 S HN -0.014 nan 8.310 nan 0.000 0.496 180 T N 1.416 116.022 114.554 0.087 0.000 3.732 180 T HA 0.123 4.473 4.350 -0.000 0.000 0.234 180 T C 0.922 175.667 174.700 0.074 0.000 1.146 180 T CA -0.050 62.107 62.100 0.095 0.000 1.454 180 T CB 0.465 69.415 68.868 0.137 0.000 0.910 180 T HN 0.404 nan 8.240 nan 0.000 0.640 181 T N -1.456 113.132 114.554 0.057 0.000 3.155 181 T HA -0.089 4.261 4.350 -0.000 0.000 0.264 181 T C 1.848 176.584 174.700 0.060 0.000 1.160 181 T CA 1.193 63.323 62.100 0.051 0.000 1.075 181 T CB -0.482 68.410 68.868 0.039 0.000 0.921 181 T HN 0.514 nan 8.240 nan 0.000 0.533 182 T N -1.523 113.066 114.554 0.059 0.000 3.092 182 T HA 0.637 4.987 4.350 -0.000 0.000 0.258 182 T C 0.763 175.496 174.700 0.056 0.000 1.031 182 T CA -0.097 62.037 62.100 0.056 0.000 0.925 182 T CB -0.145 68.751 68.868 0.047 0.000 1.036 182 T HN 0.518 nan 8.240 nan 0.000 0.544 183 A N 1.698 124.556 122.820 0.062 0.000 2.462 183 A HA 0.412 4.732 4.320 -0.000 0.000 0.243 183 A C -0.042 177.574 177.584 0.053 0.000 1.076 183 A CA -0.458 51.614 52.037 0.058 0.000 0.773 183 A CB -0.116 18.926 19.000 0.070 0.000 1.010 183 A HN 0.455 nan 8.150 nan 0.000 0.493 184 D N 0.946 121.369 120.400 0.040 0.000 2.455 184 D HA 0.330 4.970 4.640 -0.000 0.000 0.241 184 D C 0.162 176.485 176.300 0.037 0.000 1.138 184 D CA 0.716 54.737 54.000 0.034 0.000 0.877 184 D CB 0.390 41.202 40.800 0.020 0.000 1.187 184 D HN 0.390 nan 8.370 nan 0.000 0.451 185 L N 0.954 122.206 121.223 0.048 0.000 2.358 185 L HA 0.338 4.678 4.340 -0.000 0.000 0.268 185 L C 0.757 177.645 176.870 0.031 0.000 1.032 185 L CA -0.893 53.980 54.840 0.056 0.000 0.805 185 L CB 1.243 43.369 42.059 0.112 0.000 1.253 185 L HN 0.184 nan 8.230 nan 0.000 0.452 186 S N 0.407 116.121 115.700 0.023 0.000 2.580 186 S HA 0.410 4.880 4.470 -0.000 0.000 0.274 186 S C -0.310 174.294 174.600 0.006 0.000 1.329 186 S CA -0.552 57.651 58.200 0.006 0.000 1.036 186 S CB 1.379 64.575 63.200 -0.007 0.000 0.919 186 S HN 0.276 nan 8.310 nan 0.000 0.515 187 V N 4.124 124.035 119.914 -0.005 0.000 2.540 187 V HA 0.478 4.598 4.120 -0.000 0.000 0.302 187 V C -0.465 175.615 176.094 -0.023 0.000 1.035 187 V CA -0.543 61.748 62.300 -0.015 0.000 0.873 187 V CB 1.511 33.326 31.823 -0.014 0.000 0.992 187 V HN 0.742 nan 8.190 nan 0.000 0.428 188 I N 3.314 123.857 120.570 -0.046 0.000 2.382 188 I HA 0.398 4.568 4.170 -0.000 0.000 0.286 188 I C 0.178 176.249 176.117 -0.075 0.000 1.002 188 I CA -0.071 61.193 61.300 -0.061 0.000 1.135 188 I CB 1.906 39.822 38.000 -0.142 0.000 1.288 188 I HN 0.526 nan 8.210 nan 0.000 0.448 189 S N 5.597 121.264 115.700 -0.055 0.000 2.554 189 S HA 0.660 5.130 4.470 -0.000 0.000 0.278 189 S C -0.240 174.231 174.600 -0.215 0.000 1.242 189 S CA -0.662 57.486 58.200 -0.086 0.000 1.051 189 S CB 1.769 64.953 63.200 -0.027 0.000 0.986 189 S HN 0.476 nan 8.310 nan 0.000 0.502 190 V N -0.057 119.675 119.914 -0.304 0.000 2.971 190 V HA 0.894 5.014 4.120 -0.000 0.000 0.309 190 V C -0.269 175.683 176.094 -0.237 0.000 1.130 190 V CA -0.983 60.994 62.300 -0.539 0.000 0.964 190 V CB 1.495 32.840 31.823 -0.796 0.000 1.029 190 V HN 0.857 nan 8.190 nan 0.000 0.427 191 T N 0.914 115.496 114.554 0.047 0.000 2.823 191 T HA 0.720 5.070 4.350 -0.000 0.000 0.279 191 T C -2.781 171.963 174.700 0.072 0.000 0.998 191 T CA -2.318 59.822 62.100 0.067 0.000 0.994 191 T CB 1.537 70.477 68.868 0.120 0.000 0.960 191 T HN 0.682 nan 8.240 nan 0.000 0.448 192 P HA 0.180 nan 4.420 nan 0.000 0.263 192 P C 1.239 178.615 177.300 0.127 0.000 1.168 192 P CA 1.565 64.769 63.100 0.173 0.000 0.759 192 P CB 0.050 31.871 31.700 0.202 0.000 0.782 193 G N 1.664 110.545 108.800 0.136 0.000 2.212 193 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.266 193 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.266 193 G C 0.144 175.084 174.900 0.066 0.000 0.978 193 G CA 0.090 45.245 45.100 0.093 0.000 0.632 193 G HN 0.545 nan 8.290 nan 0.000 0.537 194 K N 0.317 120.769 120.400 0.086 0.000 2.110 194 K HA 0.582 4.902 4.320 -0.000 0.000 0.263 194 K C 0.388 176.997 176.600 0.014 0.000 0.975 194 K CA -0.663 55.614 56.287 -0.017 0.000 0.895 194 K CB 1.003 33.431 32.500 -0.120 0.000 1.060 194 K HN 0.219 nan 8.250 nan 0.000 0.448 195 R N 1.826 122.233 120.500 -0.154 0.000 2.460 195 R HA 0.342 4.682 4.340 -0.000 0.000 0.303 195 R C -1.096 175.009 176.300 -0.325 0.000 0.968 195 R CA -0.627 55.445 56.100 -0.046 0.000 0.889 195 R CB 0.808 31.117 30.300 0.015 0.000 1.123 195 R HN 0.448 nan 8.270 nan 0.000 0.455 196 Y N 0.608 120.787 120.300 -0.203 0.000 2.425 196 Y HA 0.339 4.889 4.550 -0.000 0.000 0.344 196 Y C 0.135 175.628 175.900 -0.678 0.000 0.969 196 Y CA -1.039 56.741 58.100 -0.534 0.000 1.052 196 Y CB 1.750 39.597 38.460 -1.021 0.000 1.215 196 Y HN 0.349 nan 8.280 nan 0.000 0.451 197 R N 3.755 123.856 120.500 -0.664 0.000 2.296 197 R HA 0.372 4.712 4.340 -0.000 0.000 0.327 197 R C -1.632 174.257 176.300 -0.686 0.000 1.137 197 R CA -0.324 55.320 56.100 -0.761 0.000 1.020 197 R CB -0.217 29.307 30.300 -1.293 0.000 1.110 197 R HN 0.471 nan 8.270 nan 0.000 0.499 198 F N 2.964 122.574 119.950 -0.567 0.000 2.427 198 F HA 0.326 4.853 4.527 -0.000 0.000 0.352 198 F C 0.750 176.164 175.800 -0.643 0.000 1.100 198 F CA -0.391 57.206 58.000 -0.671 0.000 1.191 198 F CB 1.168 39.531 39.000 -1.063 0.000 1.128 198 F HN 0.278 nan 8.300 nan 0.000 0.533 199 R N 3.660 124.050 120.500 -0.183 0.000 2.247 199 R HA 0.372 4.712 4.340 -0.000 0.000 0.329 199 R C -1.211 174.993 176.300 -0.159 0.000 1.014 199 R CA -0.898 55.101 56.100 -0.168 0.000 0.907 199 R CB 0.886 31.117 30.300 -0.116 0.000 1.146 199 R HN 0.412 nan 8.270 nan 0.000 0.499 200 L N 4.570 125.695 121.223 -0.162 0.000 2.278 200 L HA 0.297 4.637 4.340 -0.000 0.000 0.287 200 L C -0.837 175.893 176.870 -0.233 0.000 1.072 200 L CA -0.166 54.549 54.840 -0.208 0.000 0.819 200 L CB 1.339 43.292 42.059 -0.176 0.000 1.176 200 L HN 0.273 nan 8.230 nan 0.000 0.435 201 V N 3.431 123.170 119.914 -0.292 0.000 2.588 201 V HA 0.478 4.598 4.120 -0.000 0.000 0.304 201 V C -0.072 175.726 176.094 -0.493 0.000 1.042 201 V CA -0.706 61.356 62.300 -0.397 0.000 0.877 201 V CB 1.571 33.169 31.823 -0.375 0.000 0.996 201 V HN 0.753 nan 8.190 nan 0.000 0.425 202 S N 4.408 119.745 115.700 -0.604 0.000 2.422 202 S HA 0.550 5.020 4.470 -0.000 0.000 0.298 202 S C 0.300 174.266 174.600 -1.057 0.000 1.118 202 S CA -0.588 57.267 58.200 -0.575 0.000 1.083 202 S CB 0.312 63.300 63.200 -0.352 0.000 0.971 202 S HN 0.641 nan 8.310 nan 0.000 0.478 203 L N 3.944 124.648 121.223 -0.866 0.000 2.741 203 L HA 0.312 4.652 4.340 -0.000 0.000 0.237 203 L C 1.111 177.783 176.870 -0.330 0.000 1.178 203 L CA -0.354 53.819 54.840 -1.112 0.000 0.973 203 L CB -0.052 41.701 42.059 -0.509 0.000 1.255 203 L HN 0.561 nan 8.230 nan 0.000 0.498 204 S N -0.980 114.607 115.700 -0.189 0.000 2.568 204 S HA 0.020 4.490 4.470 -0.000 0.000 0.282 204 S C 1.178 175.949 174.600 0.285 0.000 1.338 204 S CA -0.503 57.765 58.200 0.114 0.000 1.045 204 S CB 1.101 64.363 63.200 0.104 0.000 0.873 204 S HN 0.371 nan 8.310 nan 0.000 0.516 205 c N 2.630 121.390 118.600 0.265 0.000 2.551 205 c HA 0.239 4.809 4.570 -0.000 0.000 0.277 205 c C 1.769 175.914 174.090 0.092 0.000 1.349 205 c CA 0.336 56.698 56.329 0.056 0.000 1.750 205 c CB -0.697 41.661 42.510 -0.253 0.000 2.058 205 c HN 1.011 nan 8.230 nan 0.000 0.518 206 D N -1.835 118.686 120.400 0.202 0.000 2.017 206 D HA 0.117 4.757 4.640 -0.000 0.000 0.336 206 D C -2.450 173.875 176.300 0.042 0.000 1.104 206 D CA 0.234 54.367 54.000 0.221 0.000 0.965 206 D CB -0.623 40.491 40.800 0.523 0.000 1.864 206 D HN 0.083 nan 8.370 nan 0.000 0.538 207 P HA 0.177 nan 4.420 nan 0.000 0.268 207 P C -0.454 176.473 177.300 -0.622 0.000 1.205 207 P CA 0.141 62.852 63.100 -0.649 0.000 0.771 207 P CB 0.380 31.489 31.700 -0.984 0.000 0.858 208 N N 2.049 120.388 118.700 -0.601 0.000 2.430 208 N HA 0.299 5.039 4.740 -0.000 0.000 0.298 208 N C -1.230 173.851 175.510 -0.714 0.000 1.130 208 N CA -0.511 52.201 53.050 -0.563 0.000 0.894 208 N CB 1.214 39.347 38.487 -0.589 0.000 1.209 208 N HN 0.230 nan 8.380 nan 0.000 0.503 209 Y N -0.526 119.609 120.300 -0.276 0.000 2.485 209 Y HA 0.289 4.839 4.550 0.000 0.000 0.345 209 Y C 0.045 175.859 175.900 -0.143 0.000 0.998 209 Y CA -0.744 57.251 58.100 -0.175 0.000 1.059 209 Y CB 2.361 40.764 38.460 -0.094 0.000 1.234 209 Y HN 0.418 nan 8.280 nan 0.000 0.461 210 T N 4.341 118.943 114.554 0.079 0.000 2.832 210 T HA 0.248 4.598 4.350 -0.000 0.000 0.313 210 T C -1.038 173.730 174.700 0.114 0.000 1.035 210 T CA -0.305 61.820 62.100 0.042 0.000 0.950 210 T CB -0.595 68.276 68.868 0.004 0.000 0.984 210 T HN 0.368 nan 8.240 nan 0.000 0.486 211 F N 4.111 124.031 119.950 -0.051 0.000 2.408 211 F HA 0.584 5.111 4.527 -0.000 0.000 0.344 211 F C 0.437 176.160 175.800 -0.128 0.000 1.112 211 F CA -0.279 57.675 58.000 -0.077 0.000 1.096 211 F CB 0.727 39.672 39.000 -0.092 0.000 1.129 211 F HN 0.546 nan 8.300 nan 0.000 0.486 212 S N 5.817 121.083 115.700 -0.722 0.000 2.596 212 S HA 0.742 5.212 4.470 -0.000 0.000 0.270 212 S C -1.282 172.933 174.600 -0.642 0.000 1.155 212 S CA -0.945 56.936 58.200 -0.531 0.000 0.827 212 S CB 1.650 64.687 63.200 -0.272 0.000 1.130 212 S HN 0.554 nan 8.310 nan 0.000 0.467 213 I N 1.681 122.024 120.570 -0.378 0.000 2.468 213 I HA 0.308 4.478 4.170 -0.000 0.000 0.285 213 I C -1.140 174.951 176.117 -0.042 0.000 1.039 213 I CA -0.684 60.471 61.300 -0.242 0.000 1.074 213 I CB 1.786 39.648 38.000 -0.231 0.000 1.228 213 I HN 0.610 nan 8.210 nan 0.000 0.436 214 D N 5.048 125.471 120.400 0.038 0.000 2.533 214 D HA 0.144 4.784 4.640 -0.000 0.000 0.236 214 D C 1.282 177.738 176.300 0.259 0.000 1.137 214 D CA 1.492 55.576 54.000 0.139 0.000 0.867 214 D CB 0.815 41.740 40.800 0.209 0.000 1.170 214 D HN 0.927 nan 8.370 nan 0.000 0.474 215 G N 1.703 110.565 108.800 0.104 0.000 2.189 215 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.267 215 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.267 215 G C 0.061 174.745 174.900 -0.360 0.000 0.975 215 G CA 0.644 45.698 45.100 -0.077 0.000 0.644 215 G HN 0.683 nan 8.290 nan 0.000 0.537 216 H N -0.331 118.670 119.070 -0.116 0.000 2.690 216 H HA 0.653 5.209 4.556 0.000 0.000 0.368 216 H C 0.135 175.423 175.328 -0.067 0.000 1.150 216 H CA -0.833 55.161 56.048 -0.089 0.000 1.174 216 H CB 1.115 30.825 29.762 -0.087 0.000 1.684 216 H HN 0.133 nan 8.280 nan 0.000 0.538 217 N N 1.091 119.836 118.700 0.075 0.000 2.502 217 N HA 0.514 5.254 4.740 -0.000 0.000 0.280 217 N C -0.850 174.693 175.510 0.055 0.000 1.223 217 N CA -0.417 52.651 53.050 0.029 0.000 0.966 217 N CB 1.174 39.676 38.487 0.025 0.000 1.203 217 N HN 0.483 nan 8.380 nan 0.000 0.565 218 M N 0.472 120.075 119.600 0.005 0.000 2.224 218 M HA 0.216 4.697 4.480 -0.000 0.000 0.281 218 M C -1.098 175.254 176.300 0.086 0.000 1.025 218 M CA -0.564 54.755 55.300 0.032 0.000 0.954 218 M CB 2.126 34.508 32.600 -0.363 0.000 1.639 218 M HN 0.143 nan 8.290 nan 0.000 0.461 219 T N 4.160 118.831 114.554 0.196 0.000 2.781 219 T HA 0.508 4.858 4.350 -0.000 0.000 0.305 219 T C 0.225 175.043 174.700 0.196 0.000 1.001 219 T CA -0.382 61.812 62.100 0.156 0.000 0.950 219 T CB 0.075 69.030 68.868 0.145 0.000 0.955 219 T HN 0.469 nan 8.240 nan 0.000 0.471 220 I N 4.679 125.335 120.570 0.143 0.000 2.618 220 I HA 0.145 4.315 4.170 -0.000 0.000 0.284 220 I C 1.344 177.550 176.117 0.150 0.000 1.146 220 I CA 0.271 61.667 61.300 0.160 0.000 1.425 220 I CB 0.617 38.662 38.000 0.074 0.000 1.383 220 I HN 0.715 nan 8.210 nan 0.000 0.562 221 I N 1.914 122.577 120.570 0.155 0.000 4.338 221 I HA 0.458 4.628 4.170 -0.000 0.000 0.329 221 I C 0.168 176.349 176.117 0.108 0.000 1.378 221 I CA -0.048 61.329 61.300 0.129 0.000 1.170 221 I CB 0.552 38.635 38.000 0.139 0.000 1.206 221 I HN 0.554 nan 8.210 nan 0.000 0.432 222 E N 1.836 122.107 120.200 0.118 0.000 2.354 222 E HA 0.319 4.669 4.350 -0.000 0.000 0.283 222 E C -1.420 175.227 176.600 0.078 0.000 0.938 222 E CA -0.357 56.079 56.400 0.059 0.000 0.777 222 E CB 2.480 32.172 29.700 -0.014 0.000 1.222 222 E HN 0.154 nan 8.360 nan 0.000 0.423 223 T N 2.215 116.757 114.554 -0.020 0.000 2.890 223 T HA 0.328 4.678 4.350 -0.000 0.000 0.295 223 T C -0.666 173.863 174.700 -0.286 0.000 0.993 223 T CA -0.345 61.649 62.100 -0.176 0.000 0.979 223 T CB 0.748 69.622 68.868 0.010 0.000 0.967 223 T HN 0.507 nan 8.240 nan 0.000 0.441 224 D N 3.092 123.229 120.400 -0.438 0.000 2.686 224 D HA -0.169 4.471 4.640 -0.000 0.000 0.235 224 D C 0.852 176.904 176.300 -0.414 0.000 1.160 224 D CA 1.745 55.500 54.000 -0.408 0.000 0.645 224 D CB -1.576 39.030 40.800 -0.323 0.000 1.039 224 D HN 0.892 nan 8.370 nan 0.000 0.423 225 S N -3.064 112.347 115.700 -0.482 0.000 2.857 225 S HA -0.267 4.203 4.470 -0.000 0.000 0.268 225 S C 0.381 174.839 174.600 -0.237 0.000 1.297 225 S CA 0.752 58.641 58.200 -0.518 0.000 1.280 225 S CB -0.809 61.890 63.200 -0.834 0.000 1.562 225 S HN 0.461 nan 8.310 nan 0.000 0.661 226 I N 3.252 123.732 120.570 -0.149 0.000 2.336 226 I HA 0.320 4.490 4.170 -0.000 0.000 0.292 226 I C 0.301 176.412 176.117 -0.010 0.000 0.991 226 I CA -0.677 60.596 61.300 -0.045 0.000 1.227 226 I CB 0.699 38.708 38.000 0.014 0.000 1.366 226 I HN 0.067 nan 8.210 nan 0.000 0.466 227 N N 4.629 123.337 118.700 0.013 0.000 2.412 227 N HA 0.089 4.829 4.740 -0.000 0.000 0.258 227 N C -0.379 175.170 175.510 0.065 0.000 1.236 227 N CA 0.364 53.439 53.050 0.042 0.000 0.882 227 N CB 0.401 38.917 38.487 0.049 0.000 1.066 227 N HN 0.527 nan 8.380 nan 0.000 0.465 228 T N 0.360 114.963 114.554 0.082 0.000 2.863 228 T HA 0.564 4.914 4.350 -0.000 0.000 0.285 228 T C 0.194 174.959 174.700 0.110 0.000 1.009 228 T CA -0.758 61.404 62.100 0.105 0.000 0.989 228 T CB 1.725 70.662 68.868 0.115 0.000 1.004 228 T HN 0.529 nan 8.240 nan 0.000 0.455 229 A N 3.840 126.735 122.820 0.125 0.000 2.540 229 A HA 0.421 4.741 4.320 -0.000 0.000 0.239 229 A C -2.281 175.369 177.584 0.110 0.000 1.061 229 A CA -0.885 51.221 52.037 0.116 0.000 0.758 229 A CB -0.709 18.373 19.000 0.137 0.000 0.991 229 A HN 0.521 nan 8.150 nan 0.000 0.502 230 P HA 0.189 nan 4.420 nan 0.000 0.262 230 P C -0.851 176.501 177.300 0.087 0.000 1.182 230 P CA 0.381 63.537 63.100 0.094 0.000 0.761 230 P CB 0.314 32.065 31.700 0.084 0.000 0.795 231 L N 5.526 126.797 121.223 0.081 0.000 2.404 231 L HA 0.347 4.687 4.340 -0.000 0.000 0.272 231 L C -1.061 175.835 176.870 0.045 0.000 0.980 231 L CA -0.635 54.241 54.840 0.060 0.000 0.836 231 L CB 1.924 44.012 42.059 0.047 0.000 1.238 231 L HN 0.004 nan 8.230 nan 0.000 0.408 232 V N 5.983 125.920 119.914 0.038 0.000 2.455 232 V HA 0.465 4.585 4.120 -0.000 0.000 0.273 232 V C 0.103 176.197 176.094 -0.001 0.000 1.045 232 V CA -0.139 62.178 62.300 0.029 0.000 0.976 232 V CB 1.262 33.103 31.823 0.031 0.000 0.993 232 V HN 0.586 nan 8.190 nan 0.000 0.475 233 V N 3.669 123.570 119.914 -0.023 0.000 3.001 233 V HA 0.392 4.512 4.120 -0.000 0.000 0.314 233 V C 0.427 176.477 176.094 -0.073 0.000 1.099 233 V CA -0.327 61.937 62.300 -0.059 0.000 0.989 233 V CB 2.393 34.154 31.823 -0.104 0.000 1.040 233 V HN 0.875 nan 8.190 nan 0.000 0.434 234 D N 0.795 121.151 120.400 -0.075 0.000 2.259 234 D HA 0.143 4.783 4.640 -0.000 0.000 0.216 234 D C 0.530 176.768 176.300 -0.104 0.000 0.961 234 D CA 1.321 55.276 54.000 -0.075 0.000 0.878 234 D CB 0.518 41.285 40.800 -0.055 0.000 1.009 234 D HN 0.689 nan 8.370 nan 0.000 0.490 235 S N -1.113 114.523 115.700 -0.107 0.000 2.570 235 S HA 0.609 5.079 4.470 -0.000 0.000 0.270 235 S C -1.046 173.488 174.600 -0.110 0.000 1.149 235 S CA -0.981 57.154 58.200 -0.108 0.000 0.837 235 S CB 1.421 64.572 63.200 -0.082 0.000 1.124 235 S HN 0.019 nan 8.310 nan 0.000 0.465 236 I N 1.289 121.815 120.570 -0.074 0.000 2.466 236 I HA 0.428 4.598 4.170 -0.000 0.000 0.289 236 I C -0.454 175.633 176.117 -0.050 0.000 1.026 236 I CA -0.448 60.782 61.300 -0.117 0.000 1.078 236 I CB 2.140 40.028 38.000 -0.187 0.000 1.249 236 I HN 0.745 nan 8.210 nan 0.000 0.429 237 Q N 6.884 126.633 119.800 -0.086 0.000 2.360 237 Q HA 0.527 4.867 4.340 -0.000 0.000 0.254 237 Q C -1.320 174.577 176.000 -0.172 0.000 0.975 237 Q CA -0.422 55.290 55.803 -0.152 0.000 0.912 237 Q CB 1.645 30.274 28.738 -0.181 0.000 1.212 237 Q HN 0.667 nan 8.270 nan 0.000 0.452 238 I N 4.387 124.855 120.570 -0.169 0.000 2.378 238 I HA 0.395 4.565 4.170 -0.000 0.000 0.291 238 I C -1.258 174.698 176.117 -0.267 0.000 0.992 238 I CA -0.813 60.456 61.300 -0.052 0.000 1.154 238 I CB 0.624 38.669 38.000 0.074 0.000 1.315 238 I HN 0.572 nan 8.210 nan 0.000 0.448 239 F N 5.590 125.541 119.950 0.001 0.000 2.368 239 F HA 0.560 5.087 4.527 -0.000 0.000 0.315 239 F C 1.095 176.823 175.800 -0.119 0.000 1.145 239 F CA -0.484 57.485 58.000 -0.052 0.000 1.095 239 F CB 0.594 39.579 39.000 -0.024 0.000 1.286 239 F HN 0.476 nan 8.300 nan 0.000 0.530 240 A N 1.153 124.016 122.820 0.073 0.000 2.580 240 A HA 0.339 4.659 4.320 -0.000 0.000 0.244 240 A C 1.015 178.428 177.584 -0.284 0.000 1.045 240 A CA 0.486 52.475 52.037 -0.080 0.000 0.761 240 A CB -1.126 17.906 19.000 0.052 0.000 0.962 240 A HN 1.900 nan 8.150 nan 0.000 0.512 241 A N 1.417 123.918 122.820 -0.532 0.000 3.601 241 A HA -0.200 4.120 4.320 -0.000 0.000 0.266 241 A C 0.664 177.917 177.584 -0.552 0.000 1.077 241 A CA 1.689 53.340 52.037 -0.643 0.000 1.228 241 A CB -2.400 16.079 19.000 -0.869 0.000 1.099 241 A HN 0.977 nan 8.150 nan 0.000 0.916 242 Q N -0.999 118.567 119.800 -0.389 0.000 2.382 242 Q HA 0.617 4.957 4.340 -0.000 0.000 0.229 242 Q C 0.054 175.781 176.000 -0.456 0.000 1.006 242 Q CA -0.042 55.544 55.803 -0.362 0.000 0.916 242 Q CB 0.389 28.996 28.738 -0.217 0.000 1.235 242 Q HN 0.541 nan 8.270 nan 0.000 0.512 243 R N -0.014 120.159 120.500 -0.544 0.000 2.774 243 R HA 0.575 4.915 4.340 -0.000 0.000 0.272 243 R C -1.716 174.201 176.300 -0.638 0.000 1.000 243 R CA -0.591 55.218 56.100 -0.485 0.000 0.906 243 R CB 1.337 31.382 30.300 -0.426 0.000 1.227 243 R HN 0.482 nan 8.270 nan 0.000 0.468 244 Y N -0.896 119.319 120.300 -0.141 0.000 2.442 244 Y HA 0.406 4.956 4.550 -0.000 0.000 0.330 244 Y C -0.684 175.189 175.900 -0.046 0.000 1.100 244 Y CA -0.597 57.468 58.100 -0.058 0.000 1.034 244 Y CB 2.749 41.218 38.460 0.015 0.000 1.285 244 Y HN 0.470 nan 8.280 nan 0.000 0.440 245 S N 4.361 120.133 115.700 0.120 0.000 2.462 245 S HA 0.748 5.218 4.470 -0.000 0.000 0.294 245 S C -1.150 173.524 174.600 0.124 0.000 1.144 245 S CA -0.569 57.628 58.200 -0.004 0.000 1.088 245 S CB 0.091 63.251 63.200 -0.066 0.000 1.009 245 S HN 0.438 nan 8.310 nan 0.000 0.484 246 F N 0.718 120.705 119.950 0.061 0.000 2.578 246 F HA 0.801 5.328 4.527 0.000 0.000 0.311 246 F C -1.059 174.799 175.800 0.096 0.000 1.094 246 F CA -1.336 56.713 58.000 0.082 0.000 0.923 246 F CB 0.483 39.537 39.000 0.089 0.000 1.230 246 F HN 0.194 nan 8.300 nan 0.000 0.450 247 V N 4.343 124.437 119.914 0.299 0.000 2.439 247 V HA 0.481 4.601 4.120 -0.000 0.000 0.282 247 V C -0.412 175.908 176.094 0.377 0.000 1.039 247 V CA -0.653 61.769 62.300 0.205 0.000 0.913 247 V CB 1.424 33.356 31.823 0.182 0.000 0.983 247 V HN 0.893 nan 8.190 nan 0.000 0.460 248 L N 4.244 125.681 121.223 0.357 0.000 2.381 248 L HA 0.609 4.949 4.340 -0.000 0.000 0.274 248 L C -0.270 176.799 176.870 0.332 0.000 0.988 248 L CA -0.314 54.787 54.840 0.434 0.000 0.824 248 L CB 1.859 44.319 42.059 0.669 0.000 1.263 248 L HN 0.642 nan 8.230 nan 0.000 0.410 249 E N 4.036 124.405 120.200 0.282 0.000 2.146 249 E HA 0.354 4.704 4.350 -0.000 0.000 0.282 249 E C -0.334 176.427 176.600 0.268 0.000 0.989 249 E CA -0.600 55.942 56.400 0.237 0.000 0.799 249 E CB 1.727 31.526 29.700 0.167 0.000 1.088 249 E HN 0.705 nan 8.360 nan 0.000 0.397 250 A N 4.068 127.028 122.820 0.233 0.000 3.026 250 A HA 0.008 4.328 4.320 -0.000 0.000 0.272 250 A C 0.458 178.234 177.584 0.320 0.000 1.782 250 A CA -0.267 51.866 52.037 0.160 0.000 1.451 250 A CB -0.930 17.963 19.000 -0.179 0.000 1.081 250 A HN 0.623 nan 8.150 nan 0.000 0.611 251 N N -0.446 118.438 118.700 0.308 0.000 2.187 251 N HA 0.047 4.787 4.740 -0.000 0.000 0.212 251 N C 0.226 175.808 175.510 0.120 0.000 1.152 251 N CA -0.113 53.053 53.050 0.193 0.000 0.872 251 N CB 0.241 38.793 38.487 0.108 0.000 1.025 251 N HN 0.416 nan 8.380 nan 0.000 0.514 252 Q N 0.568 120.437 119.800 0.116 0.000 2.185 252 Q HA 0.548 4.888 4.340 -0.000 0.000 0.225 252 Q C -0.157 175.740 176.000 -0.172 0.000 0.983 252 Q CA -0.705 55.020 55.803 -0.129 0.000 0.950 252 Q CB 0.856 29.327 28.738 -0.444 0.000 1.176 252 Q HN 0.313 nan 8.270 nan 0.000 0.510 253 A N 0.515 123.252 122.820 -0.137 0.000 2.540 253 A HA 0.166 4.486 4.320 -0.000 0.000 0.239 253 A C 0.031 177.427 177.584 -0.314 0.000 1.061 253 A CA -0.337 51.621 52.037 -0.132 0.000 0.758 253 A CB 0.008 18.968 19.000 -0.068 0.000 0.991 253 A HN 0.427 nan 8.150 nan 0.000 0.502 254 V N 4.127 123.921 119.914 -0.200 0.000 2.506 254 V HA 0.180 4.300 4.120 -0.000 0.000 0.296 254 V C 0.393 176.392 176.094 -0.159 0.000 1.004 254 V CA 1.165 63.374 62.300 -0.151 0.000 1.150 254 V CB -0.403 31.453 31.823 0.054 0.000 0.911 254 V HN 1.071 nan 8.190 nan 0.000 0.476 255 D N 3.434 123.740 120.400 -0.157 0.000 2.827 255 D HA 0.174 4.814 4.640 -0.000 0.000 0.336 255 D C -1.340 174.859 176.300 -0.169 0.000 1.374 255 D CA -0.661 53.202 54.000 -0.229 0.000 0.794 255 D CB 1.249 41.760 40.800 -0.482 0.000 1.364 255 D HN 0.389 nan 8.370 nan 0.000 0.464 256 N N 0.624 119.101 118.700 -0.372 0.000 2.421 256 N HA 0.377 5.117 4.740 -0.000 0.000 0.285 256 N C -1.084 174.096 175.510 -0.549 0.000 1.027 256 N CA -0.079 52.797 53.050 -0.291 0.000 0.918 256 N CB 1.079 39.369 38.487 -0.328 0.000 1.152 256 N HN 0.240 nan 8.380 nan 0.000 0.485 257 Y N -0.081 120.131 120.300 -0.145 0.000 2.409 257 Y HA 0.309 4.859 4.550 -0.000 0.000 0.343 257 Y C -0.161 175.670 175.900 -0.114 0.000 0.973 257 Y CA -0.904 57.126 58.100 -0.116 0.000 1.064 257 Y CB 1.208 39.687 38.460 0.032 0.000 1.207 257 Y HN 0.417 nan 8.280 nan 0.000 0.452 258 W N 4.314 125.614 121.300 0.001 0.000 2.253 258 W HA 0.419 5.079 4.660 0.000 0.000 0.322 258 W C -0.481 175.936 176.519 -0.171 0.000 1.342 258 W CA -0.181 57.099 57.345 -0.108 0.000 1.218 258 W CB 0.470 29.817 29.460 -0.189 0.000 1.205 258 W HN 0.257 nan 8.180 nan 0.000 0.551 259 I N 5.135 125.779 120.570 0.122 0.000 2.307 259 I HA 0.297 4.467 4.170 -0.000 0.000 0.289 259 I C 0.017 176.010 176.117 -0.206 0.000 1.021 259 I CA -0.807 60.404 61.300 -0.148 0.000 1.224 259 I CB 0.597 38.536 38.000 -0.103 0.000 1.376 259 I HN 0.315 nan 8.210 nan 0.000 0.470 260 R N 5.312 125.576 120.500 -0.394 0.000 2.460 260 R HA 0.772 5.112 4.340 -0.000 0.000 0.303 260 R C -0.461 175.731 176.300 -0.179 0.000 0.968 260 R CA -0.672 55.282 56.100 -0.243 0.000 0.889 260 R CB 1.871 31.925 30.300 -0.410 0.000 1.123 260 R HN 0.675 nan 8.270 nan 0.000 0.455 261 A N 2.966 125.830 122.820 0.073 0.000 2.943 261 A HA 0.211 4.531 4.320 -0.000 0.000 0.327 261 A C -0.939 176.745 177.584 0.166 0.000 1.141 261 A CA -0.718 51.376 52.037 0.095 0.000 0.773 261 A CB 0.252 19.210 19.000 -0.070 0.000 1.143 261 A HN 0.608 nan 8.150 nan 0.000 0.463 262 N N 3.443 122.252 118.700 0.182 0.000 2.411 262 N HA 0.370 5.110 4.740 -0.000 0.000 0.259 262 N C -2.540 172.993 175.510 0.038 0.000 1.103 262 N CA -1.537 51.521 53.050 0.013 0.000 0.954 262 N CB 1.309 39.777 38.487 -0.031 0.000 1.085 262 N HN 0.362 nan 8.380 nan 0.000 0.485 263 P HA 0.114 nan 4.420 nan 0.000 0.277 263 P C 0.102 177.215 177.300 -0.312 0.000 1.240 263 P CA -0.312 62.589 63.100 -0.332 0.000 0.798 263 P CB 0.839 32.307 31.700 -0.386 0.000 0.979 264 N N 1.641 120.118 118.700 -0.371 0.000 2.381 264 N HA -0.091 4.649 4.740 -0.000 0.000 0.182 264 N C 0.383 175.903 175.510 0.016 0.000 1.025 264 N CA 0.964 53.927 53.050 -0.144 0.000 0.888 264 N CB -0.659 37.800 38.487 -0.047 0.000 0.965 264 N HN 0.533 nan 8.380 nan 0.000 0.438 265 F N -4.320 115.551 119.950 -0.131 0.000 2.741 265 F HA 0.737 5.264 4.527 0.000 0.000 0.313 265 F C 0.521 176.259 175.800 -0.103 0.000 1.153 265 F CA -0.507 57.433 58.000 -0.100 0.000 0.931 265 F CB 1.149 40.106 39.000 -0.072 0.000 1.335 265 F HN 0.167 nan 8.300 nan 0.000 0.460 266 G N 1.407 110.313 108.800 0.176 0.000 2.516 266 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.220 266 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.220 266 G C -1.422 173.446 174.900 -0.052 0.000 1.165 266 G CA -0.434 44.689 45.100 0.038 0.000 1.013 266 G HN 0.939 nan 8.290 nan 0.000 0.590 267 N N 1.909 120.542 118.700 -0.112 0.000 2.602 267 N HA 0.414 5.154 4.740 -0.000 0.000 0.238 267 N C 0.670 176.073 175.510 -0.178 0.000 1.084 267 N CA 0.628 53.600 53.050 -0.129 0.000 0.952 267 N CB 1.075 39.482 38.487 -0.132 0.000 1.244 267 N HN 1.084 nan 8.380 nan 0.000 0.512 268 V N -0.606 119.199 119.914 -0.182 0.000 3.134 268 V HA 0.957 5.077 4.120 -0.000 0.000 0.313 268 V C 0.958 176.838 176.094 -0.356 0.000 1.069 268 V CA -0.115 62.028 62.300 -0.262 0.000 1.048 268 V CB 0.756 32.465 31.823 -0.191 0.000 1.119 268 V HN 0.748 nan 8.190 nan 0.000 0.461 269 G N 1.669 110.107 108.800 -0.603 0.000 2.660 269 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.247 269 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.247 269 G C -0.766 173.471 174.900 -1.104 0.000 1.328 269 G CA 0.108 44.775 45.100 -0.722 0.000 0.884 269 G HN 1.399 nan 8.290 nan 0.000 0.531 270 F N 0.391 120.238 119.950 -0.172 0.000 2.859 270 F HA 0.334 4.861 4.527 -0.000 0.000 0.324 270 F C 1.391 177.050 175.800 -0.236 0.000 1.158 270 F CA 0.063 57.910 58.000 -0.255 0.000 1.147 270 F CB 0.801 39.579 39.000 -0.369 0.000 1.137 270 F HN 0.439 nan 8.300 nan 0.000 0.516 271 T N 0.830 115.352 114.554 -0.054 0.000 2.908 271 T HA 0.326 4.676 4.350 -0.000 0.000 0.301 271 T C 1.277 175.949 174.700 -0.046 0.000 1.019 271 T CA 1.449 63.523 62.100 -0.042 0.000 1.152 271 T CB 0.513 69.355 68.868 -0.043 0.000 0.966 271 T HN 0.734 nan 8.240 nan 0.000 0.540 272 G N 2.395 111.181 108.800 -0.023 0.000 2.168 272 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.263 272 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.263 272 G C 1.017 175.911 174.900 -0.010 0.000 0.977 272 G CA 0.403 45.502 45.100 -0.001 0.000 0.659 272 G HN 1.952 nan 8.290 nan 0.000 0.533 273 G N -0.729 108.014 108.800 -0.095 0.000 2.143 273 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.249 273 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.249 273 G C 0.696 175.523 174.900 -0.122 0.000 0.981 273 G CA 0.747 45.731 45.100 -0.194 0.000 0.665 273 G HN 2.197 nan 8.290 nan 0.000 0.528 274 I N -3.130 117.389 120.570 -0.084 0.000 3.194 274 I HA 0.427 4.597 4.170 -0.000 0.000 0.283 274 I C 1.044 177.122 176.117 -0.065 0.000 1.199 274 I CA 0.532 61.791 61.300 -0.068 0.000 1.328 274 I CB 0.007 37.953 38.000 -0.089 0.000 1.404 274 I HN 0.221 nan 8.210 nan 0.000 0.618 275 N N 1.010 119.673 118.700 -0.061 0.000 2.696 275 N HA -0.186 4.554 4.740 -0.000 0.000 0.249 275 N C -0.950 174.598 175.510 0.063 0.000 1.090 275 N CA 0.749 53.777 53.050 -0.036 0.000 0.716 275 N CB -0.810 37.583 38.487 -0.158 0.000 1.020 275 N HN 0.720 nan 8.380 nan 0.000 0.548 276 S N -1.067 114.641 115.700 0.014 0.000 2.661 276 S HA 0.949 5.419 4.470 -0.000 0.000 0.285 276 S C -0.370 174.282 174.600 0.085 0.000 1.138 276 S CA -0.283 57.923 58.200 0.011 0.000 0.855 276 S CB 2.616 65.701 63.200 -0.192 0.000 1.136 276 S HN 0.407 nan 8.310 nan 0.000 0.484 277 A N 0.592 123.507 122.820 0.159 0.000 2.567 277 A HA 0.889 5.209 4.320 -0.000 0.000 0.289 277 A C -1.864 175.836 177.584 0.193 0.000 1.177 277 A CA -0.723 51.400 52.037 0.144 0.000 0.694 277 A CB 0.820 19.853 19.000 0.056 0.000 1.292 277 A HN 0.691 nan 8.150 nan 0.000 0.425 278 I N 0.463 121.079 120.570 0.076 0.000 2.465 278 I HA 0.393 4.563 4.170 -0.000 0.000 0.291 278 I C -1.232 174.867 176.117 -0.029 0.000 1.014 278 I CA -0.666 60.637 61.300 0.005 0.000 1.093 278 I CB 1.829 39.792 38.000 -0.062 0.000 1.267 278 I HN 0.493 nan 8.210 nan 0.000 0.431 279 L N 7.247 128.459 121.223 -0.018 0.000 2.262 279 L HA 0.467 4.807 4.340 -0.000 0.000 0.288 279 L C -0.225 176.700 176.870 0.091 0.000 1.035 279 L CA -0.021 54.806 54.840 -0.021 0.000 0.820 279 L CB 0.638 42.663 42.059 -0.057 0.000 1.204 279 L HN 0.568 nan 8.230 nan 0.000 0.424 280 R N 4.039 124.570 120.500 0.051 0.000 2.337 280 R HA 0.355 4.695 4.340 -0.000 0.000 0.319 280 R C -1.347 175.042 176.300 0.149 0.000 0.954 280 R CA -0.610 55.556 56.100 0.110 0.000 0.840 280 R CB 0.651 30.966 30.300 0.024 0.000 1.164 280 R HN 0.484 nan 8.270 nan 0.000 0.472 281 Y N 2.065 122.400 120.300 0.059 0.000 2.397 281 Y HA 0.016 4.566 4.550 -0.000 0.000 0.335 281 Y C 0.449 176.373 175.900 0.041 0.000 1.213 281 Y CA 0.258 58.398 58.100 0.067 0.000 1.391 281 Y CB 0.545 39.078 38.460 0.122 0.000 1.293 281 Y HN 0.537 nan 8.280 nan 0.000 0.557 282 D N 1.498 121.982 120.400 0.140 0.000 2.493 282 D HA 0.276 4.916 4.640 -0.000 0.000 0.240 282 D C 1.185 177.555 176.300 0.117 0.000 1.142 282 D CA 1.589 55.648 54.000 0.097 0.000 0.872 282 D CB 0.786 41.630 40.800 0.074 0.000 1.173 282 D HN 0.820 nan 8.370 nan 0.000 0.467 283 G N 0.975 109.821 108.800 0.077 0.000 2.232 283 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.226 283 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.226 283 G C 0.484 175.411 174.900 0.044 0.000 0.996 283 G CA 0.126 45.262 45.100 0.059 0.000 0.626 283 G HN 0.859 nan 8.290 nan 0.000 0.509 284 A N 0.569 123.425 122.820 0.060 0.000 2.371 284 A HA 0.865 5.185 4.320 -0.000 0.000 0.257 284 A C 0.950 178.530 177.584 -0.006 0.000 1.089 284 A CA 1.044 53.093 52.037 0.020 0.000 0.794 284 A CB 0.543 19.567 19.000 0.040 0.000 1.029 284 A HN 2.079 nan 8.150 nan 0.000 0.488 285 A N 0.860 123.659 122.820 -0.036 0.000 2.386 285 A HA 0.540 4.860 4.320 -0.000 0.000 0.248 285 A C 0.779 178.333 177.584 -0.050 0.000 1.082 285 A CA 0.195 52.208 52.037 -0.040 0.000 0.789 285 A CB -0.024 18.945 19.000 -0.050 0.000 1.025 285 A HN 2.105 nan 8.150 nan 0.000 0.490 286 A N 1.611 124.407 122.820 -0.040 0.000 2.915 286 A HA 0.500 4.820 4.320 -0.000 0.000 0.292 286 A C 0.217 177.767 177.584 -0.058 0.000 1.632 286 A CA 0.272 52.283 52.037 -0.044 0.000 1.337 286 A CB -1.387 17.597 19.000 -0.026 0.000 1.111 286 A HN 2.023 nan 8.150 nan 0.000 0.569 287 V N -0.997 118.862 119.914 -0.091 0.000 3.181 287 V HA 0.581 4.701 4.120 -0.000 0.000 0.308 287 V C -0.392 175.596 176.094 -0.176 0.000 1.214 287 V CA -1.233 61.002 62.300 -0.107 0.000 1.053 287 V CB 1.224 32.983 31.823 -0.107 0.000 1.069 287 V HN 0.612 nan 8.190 nan 0.000 0.441 288 E N 1.572 121.658 120.200 -0.189 0.000 2.373 288 E HA 0.405 4.755 4.350 -0.000 0.000 0.263 288 E C -2.412 173.859 176.600 -0.549 0.000 1.073 288 E CA -1.389 54.800 56.400 -0.351 0.000 0.894 288 E CB 0.894 30.493 29.700 -0.168 0.000 1.008 288 E HN 0.615 nan 8.360 nan 0.000 0.420 289 P HA 0.055 nan 4.420 nan 0.000 0.275 289 P C -0.038 176.822 177.300 -0.733 0.000 1.266 289 P CA -0.073 62.419 63.100 -1.013 0.000 0.793 289 P CB 0.650 31.469 31.700 -1.469 0.000 1.074 290 T N -5.958 108.340 114.554 -0.426 0.000 3.403 290 T HA 0.132 4.482 4.350 -0.000 0.000 0.308 290 T C 0.239 174.903 174.700 -0.059 0.000 0.952 290 T CA -0.357 61.676 62.100 -0.111 0.000 0.970 290 T CB -1.252 67.561 68.868 -0.093 0.000 1.189 290 T HN 0.434 nan 8.240 nan 0.000 0.528 291 T N 1.939 116.413 114.554 -0.133 0.000 2.898 291 T HA 0.485 4.835 4.350 -0.000 0.000 0.301 291 T C 0.436 175.203 174.700 0.111 0.000 1.049 291 T CA -0.143 61.930 62.100 -0.044 0.000 1.095 291 T CB 0.953 69.776 68.868 -0.074 0.000 0.976 291 T HN 0.467 nan 8.240 nan 0.000 0.539 292 T N 0.214 114.802 114.554 0.057 0.000 2.895 292 T HA 0.411 4.761 4.350 -0.000 0.000 0.283 292 T C -0.213 174.490 174.700 0.005 0.000 1.014 292 T CA -1.048 61.074 62.100 0.037 0.000 1.037 292 T CB 1.477 70.352 68.868 0.012 0.000 1.006 292 T HN 0.868 nan 8.240 nan 0.000 0.468 293 Q N 1.532 121.298 119.800 -0.056 0.000 2.314 293 Q HA 0.434 4.774 4.340 -0.000 0.000 0.258 293 Q C -0.183 175.786 176.000 -0.053 0.000 0.954 293 Q CA -0.557 55.189 55.803 -0.095 0.000 0.890 293 Q CB 0.599 29.218 28.738 -0.198 0.000 1.210 293 Q HN 0.922 nan 8.270 nan 0.000 0.410 294 T N 0.219 114.746 114.554 -0.045 0.000 2.950 294 T HA 0.413 4.763 4.350 -0.000 0.000 0.288 294 T C -0.098 174.582 174.700 -0.033 0.000 1.035 294 T CA -0.820 61.261 62.100 -0.030 0.000 1.028 294 T CB 1.513 70.367 68.868 -0.023 0.000 1.109 294 T HN 0.529 nan 8.240 nan 0.000 0.514 295 T N 2.406 116.946 114.554 -0.023 0.000 2.928 295 T HA 0.247 4.597 4.350 -0.000 0.000 0.305 295 T C 0.524 175.208 174.700 -0.026 0.000 1.035 295 T CA -0.080 62.008 62.100 -0.021 0.000 1.145 295 T CB 0.625 69.485 68.868 -0.014 0.000 0.963 295 T HN 0.774 nan 8.240 nan 0.000 0.545 296 S N 1.807 117.490 115.700 -0.027 0.000 2.474 296 S HA 0.231 4.701 4.470 -0.000 0.000 0.276 296 S C 1.311 175.896 174.600 -0.024 0.000 1.227 296 S CA -0.491 57.689 58.200 -0.033 0.000 1.050 296 S CB 0.154 63.331 63.200 -0.037 0.000 0.939 296 S HN 0.859 nan 8.310 nan 0.000 0.490 297 T N 1.806 116.346 114.554 -0.024 0.000 3.044 297 T HA 0.465 4.815 4.350 -0.000 0.000 0.260 297 T C 0.439 175.129 174.700 -0.017 0.000 1.019 297 T CA 0.158 62.248 62.100 -0.017 0.000 0.921 297 T CB 0.376 69.236 68.868 -0.014 0.000 1.053 297 T HN 0.683 nan 8.240 nan 0.000 0.533 298 A N 1.940 124.745 122.820 -0.024 0.000 3.176 298 A HA 0.659 4.979 4.320 -0.000 0.000 0.265 298 A C -3.093 174.468 177.584 -0.037 0.000 0.936 298 A CA -1.300 50.722 52.037 -0.025 0.000 1.033 298 A CB 0.375 19.361 19.000 -0.023 0.000 1.158 298 A HN 0.235 nan 8.150 nan 0.000 0.485 299 P HA 0.165 nan 4.420 nan 0.000 0.266 299 P C 0.129 177.399 177.300 -0.050 0.000 1.195 299 P CA -0.115 62.959 63.100 -0.043 0.000 0.768 299 P CB 0.557 32.242 31.700 -0.027 0.000 0.838 300 L N 3.236 124.412 121.223 -0.079 0.000 2.453 300 L HA 0.303 4.643 4.340 -0.000 0.000 0.272 300 L C -0.095 176.748 176.870 -0.045 0.000 1.182 300 L CA 0.664 55.446 54.840 -0.096 0.000 0.858 300 L CB -0.290 41.652 42.059 -0.195 0.000 1.120 300 L HN 0.283 nan 8.230 nan 0.000 0.474 301 N N 3.209 121.891 118.700 -0.030 0.000 2.461 301 N HA 0.130 4.870 4.740 -0.000 0.000 0.284 301 N C 0.380 175.888 175.510 -0.004 0.000 1.049 301 N CA -0.318 52.731 53.050 -0.001 0.000 0.889 301 N CB 1.332 39.817 38.487 -0.003 0.000 1.365 301 N HN 0.905 nan 8.380 nan 0.000 0.499 302 E N 2.047 122.264 120.200 0.029 0.000 2.169 302 E HA -0.176 4.174 4.350 -0.000 0.000 0.202 302 E C 1.078 177.651 176.600 -0.045 0.000 1.016 302 E CA 1.358 57.774 56.400 0.028 0.000 0.817 302 E CB 0.336 30.068 29.700 0.053 0.000 0.736 302 E HN 0.444 nan 8.360 nan 0.000 0.462 303 V N 1.745 121.630 119.914 -0.049 0.000 2.688 303 V HA -0.232 3.888 4.120 -0.000 0.000 0.256 303 V C 1.541 177.554 176.094 -0.136 0.000 1.084 303 V CA 1.618 63.870 62.300 -0.080 0.000 1.103 303 V CB -0.399 31.400 31.823 -0.040 0.000 0.688 303 V HN 0.333 nan 8.190 nan 0.000 0.480 304 N N -0.195 118.441 118.700 -0.106 0.000 2.398 304 N HA 0.138 4.878 4.740 -0.000 0.000 0.188 304 N C 0.323 175.706 175.510 -0.211 0.000 1.122 304 N CA 0.230 53.223 53.050 -0.096 0.000 0.866 304 N CB 0.145 38.624 38.487 -0.014 0.000 0.970 304 N HN 0.394 nan 8.380 nan 0.000 0.462 305 L N 0.958 122.014 121.223 -0.278 0.000 2.305 305 L HA 0.275 4.615 4.340 -0.000 0.000 0.281 305 L C -0.405 176.202 176.870 -0.438 0.000 1.085 305 L CA -0.197 54.517 54.840 -0.209 0.000 0.813 305 L CB 0.578 42.615 42.059 -0.036 0.000 1.157 305 L HN 0.056 nan 8.230 nan 0.000 0.436 306 H N 2.139 121.261 119.070 0.087 0.000 2.806 306 H HA 0.366 4.922 4.556 -0.000 0.000 0.367 306 H C -2.464 172.925 175.328 0.103 0.000 1.136 306 H CA -1.781 54.324 56.048 0.095 0.000 1.178 306 H CB 1.901 31.709 29.762 0.078 0.000 1.718 306 H HN 0.366 nan 8.280 nan 0.000 0.540 307 P HA -0.099 nan 4.420 nan 0.000 0.267 307 P C 0.551 177.933 177.300 0.136 0.000 1.200 307 P CA -0.107 63.096 63.100 0.172 0.000 0.772 307 P CB 0.845 32.648 31.700 0.170 0.000 0.855 308 L N 4.776 126.058 121.223 0.098 0.000 2.056 308 L HA -0.035 4.305 4.340 -0.000 0.000 0.207 308 L C 0.361 177.268 176.870 0.063 0.000 1.078 308 L CA 1.922 56.810 54.840 0.081 0.000 0.749 308 L CB -0.212 41.888 42.059 0.068 0.000 0.901 308 L HN 0.071 nan 8.230 nan 0.000 0.433 309 V N 0.847 120.791 119.914 0.049 0.000 2.481 309 V HA 0.583 4.703 4.120 -0.000 0.000 0.286 309 V C 0.557 176.673 176.094 0.035 0.000 1.042 309 V CA -0.866 61.454 62.300 0.033 0.000 0.928 309 V CB 0.788 32.621 31.823 0.016 0.000 0.986 309 V HN 0.349 nan 8.190 nan 0.000 0.462 310 A N 3.732 126.573 122.820 0.035 0.000 2.548 310 A HA 0.436 4.756 4.320 -0.000 0.000 0.247 310 A C 0.468 178.070 177.584 0.030 0.000 1.067 310 A CA 0.416 52.479 52.037 0.045 0.000 0.757 310 A CB -0.368 18.655 19.000 0.038 0.000 0.996 310 A HN 0.861 nan 8.150 nan 0.000 0.504 311 T N 2.476 117.063 114.554 0.054 0.000 2.965 311 T HA 0.545 4.895 4.350 -0.000 0.000 0.306 311 T C 0.095 174.876 174.700 0.136 0.000 0.991 311 T CA 0.266 62.367 62.100 0.003 0.000 1.001 311 T CB 1.317 70.069 68.868 -0.194 0.000 0.984 311 T HN 1.161 nan 8.240 nan 0.000 0.446 312 A N 3.129 126.016 122.820 0.113 0.000 2.477 312 A HA 0.492 4.812 4.320 -0.000 0.000 0.246 312 A C 0.534 178.291 177.584 0.288 0.000 1.078 312 A CA -0.302 51.836 52.037 0.169 0.000 0.770 312 A CB 0.069 19.133 19.000 0.106 0.000 1.011 312 A HN 0.724 nan 8.150 nan 0.000 0.494 313 V N 6.289 126.375 119.914 0.286 0.000 2.508 313 V HA 0.174 4.294 4.120 -0.000 0.000 0.281 313 V C -1.500 174.718 176.094 0.206 0.000 1.041 313 V CA -0.933 61.542 62.300 0.290 0.000 1.016 313 V CB 0.606 32.568 31.823 0.231 0.000 0.984 313 V HN 0.895 nan 8.190 nan 0.000 0.478 314 P HA 0.270 nan 4.420 nan 0.000 0.267 314 P C 0.461 177.790 177.300 0.049 0.000 1.200 314 P CA 1.138 64.299 63.100 0.102 0.000 0.772 314 P CB 0.638 32.386 31.700 0.080 0.000 0.855 315 G N 2.108 110.912 108.800 0.007 0.000 2.527 315 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.227 315 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.227 315 G C -0.788 174.088 174.900 -0.041 0.000 1.291 315 G CA -0.285 44.797 45.100 -0.030 0.000 0.904 315 G HN 0.676 nan 8.290 nan 0.000 0.577 316 S N 2.129 117.770 115.700 -0.098 0.000 2.532 316 S HA 0.696 5.166 4.470 -0.000 0.000 0.301 316 S C -2.155 172.248 174.600 -0.329 0.000 1.083 316 S CA -0.535 57.576 58.200 -0.149 0.000 1.025 316 S CB 2.578 65.695 63.200 -0.140 0.000 1.056 316 S HN 0.749 nan 8.310 nan 0.000 0.494 317 P HA 0.131 nan 4.420 nan 0.000 0.251 317 P C -0.890 175.850 177.300 -0.934 0.000 1.624 317 P CA 0.318 62.992 63.100 -0.711 0.000 0.907 317 P CB -0.530 31.065 31.700 -0.175 0.000 1.867 318 V N -0.210 119.106 119.914 -0.996 0.000 3.048 318 V HA 0.508 4.628 4.120 -0.000 0.000 0.303 318 V C 0.089 175.938 176.094 -0.407 0.000 1.214 318 V CA -1.477 60.491 62.300 -0.553 0.000 0.984 318 V CB 1.969 33.626 31.823 -0.277 0.000 1.054 318 V HN 0.229 nan 8.190 nan 0.000 0.430 319 A N 1.812 124.518 122.820 -0.190 0.000 2.546 319 A HA 0.497 4.817 4.320 -0.000 0.000 0.243 319 A C 1.589 179.109 177.584 -0.106 0.000 1.063 319 A CA 1.014 52.988 52.037 -0.104 0.000 0.757 319 A CB -0.576 18.322 19.000 -0.171 0.000 0.991 319 A HN 2.517 nan 8.150 nan 0.000 0.503 320 G N 1.850 110.610 108.800 -0.067 0.000 2.220 320 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.269 320 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.269 320 G C 1.093 175.936 174.900 -0.095 0.000 0.977 320 G CA 0.725 45.779 45.100 -0.077 0.000 0.634 320 G HN 2.129 nan 8.290 nan 0.000 0.539 321 G N -0.217 108.506 108.800 -0.128 0.000 2.894 321 G HA2 0.495 4.455 3.960 -0.000 0.000 0.265 321 G HA3 0.495 4.455 3.960 -0.000 0.000 0.265 321 G C -0.096 174.737 174.900 -0.111 0.000 0.735 321 G CA 0.877 45.895 45.100 -0.137 0.000 2.064 321 G HN 1.264 nan 8.290 nan 0.000 0.590 322 V N -0.209 119.648 119.914 -0.096 0.000 3.206 322 V HA 0.267 4.387 4.120 -0.000 0.000 0.305 322 V C 0.231 176.266 176.094 -0.099 0.000 1.257 322 V CA -0.680 61.561 62.300 -0.098 0.000 1.057 322 V CB 2.073 33.830 31.823 -0.109 0.000 1.075 322 V HN 0.365 nan 8.190 nan 0.000 0.443 323 D N 1.069 121.403 120.400 -0.110 0.000 2.084 323 D HA 0.006 4.646 4.640 -0.000 0.000 0.194 323 D C 0.308 176.543 176.300 -0.107 0.000 0.990 323 D CA 1.617 55.557 54.000 -0.101 0.000 0.826 323 D CB 0.416 41.153 40.800 -0.105 0.000 0.971 323 D HN 0.195 nan 8.370 nan 0.000 0.453 324 L N 0.367 121.503 121.223 -0.145 0.000 2.406 324 L HA 0.521 4.861 4.340 -0.000 0.000 0.272 324 L C -1.526 175.243 176.870 -0.168 0.000 0.980 324 L CA -0.501 54.252 54.840 -0.145 0.000 0.831 324 L CB 1.826 43.785 42.059 -0.166 0.000 1.253 324 L HN -0.162 nan 8.230 nan 0.000 0.406 325 A N 6.501 129.244 122.820 -0.127 0.000 2.331 325 A HA 0.842 5.162 4.320 -0.000 0.000 0.320 325 A C -0.975 176.537 177.584 -0.120 0.000 1.138 325 A CA -0.486 51.474 52.037 -0.129 0.000 0.790 325 A CB 1.122 20.062 19.000 -0.099 0.000 1.206 325 A HN 0.663 nan 8.150 nan 0.000 0.470 326 I N 2.391 122.870 120.570 -0.153 0.000 2.533 326 I HA 0.323 4.493 4.170 -0.000 0.000 0.290 326 I C -0.506 175.484 176.117 -0.212 0.000 1.056 326 I CA -0.703 60.507 61.300 -0.149 0.000 1.057 326 I CB 2.223 40.118 38.000 -0.174 0.000 1.240 326 I HN 0.713 nan 8.210 nan 0.000 0.423 327 N N 6.907 125.501 118.700 -0.177 0.000 2.400 327 N HA 0.378 5.118 4.740 -0.000 0.000 0.288 327 N C -1.207 174.156 175.510 -0.244 0.000 1.024 327 N CA -0.558 52.349 53.050 -0.238 0.000 0.894 327 N CB 1.461 39.855 38.487 -0.155 0.000 1.173 327 N HN 0.431 nan 8.380 nan 0.000 0.487 328 M N 2.881 122.236 119.600 -0.408 0.000 2.152 328 M HA 0.257 4.737 4.480 -0.000 0.000 0.354 328 M C -0.134 175.965 176.300 -0.335 0.000 1.173 328 M CA -0.886 54.217 55.300 -0.328 0.000 1.110 328 M CB 0.067 32.391 32.600 -0.461 0.000 1.366 328 M HN 0.456 nan 8.290 nan 0.000 0.415 329 A N 4.257 127.034 122.820 -0.072 0.000 2.437 329 A HA 0.516 4.836 4.320 -0.000 0.000 0.303 329 A C -0.338 177.416 177.584 0.283 0.000 1.324 329 A CA -0.320 51.730 52.037 0.022 0.000 0.983 329 A CB -0.356 18.681 19.000 0.061 0.000 1.142 329 A HN 0.522 nan 8.150 nan 0.000 0.541 330 F N 1.734 121.810 119.950 0.211 0.000 2.471 330 F HA 0.297 4.824 4.527 0.000 0.000 0.353 330 F C 0.925 176.902 175.800 0.295 0.000 1.113 330 F CA -0.126 58.084 58.000 0.351 0.000 1.262 330 F CB 0.414 39.628 39.000 0.357 0.000 1.146 330 F HN 0.734 nan 8.300 nan 0.000 0.578 331 N N 0.865 119.877 118.700 0.521 0.000 2.823 331 N HA 0.549 5.289 4.740 -0.000 0.000 0.251 331 N C -2.250 173.476 175.510 0.359 0.000 1.392 331 N CA -0.575 52.673 53.050 0.331 0.000 0.864 331 N CB 1.902 40.505 38.487 0.193 0.000 1.481 331 N HN 0.314 nan 8.380 nan 0.000 0.508 332 F N 1.901 121.827 119.950 -0.040 0.000 2.604 332 F HA 0.373 4.900 4.527 -0.000 0.000 0.316 332 F C -1.186 174.512 175.800 -0.169 0.000 1.136 332 F CA -0.759 57.130 58.000 -0.185 0.000 0.989 332 F CB 1.348 40.074 39.000 -0.457 0.000 1.258 332 F HN 0.572 nan 8.300 nan 0.000 0.451 333 N N 2.652 120.961 118.700 -0.653 0.000 2.433 333 N HA 0.546 5.286 4.740 -0.000 0.000 0.270 333 N C 0.418 175.516 175.510 -0.687 0.000 1.354 333 N CA 0.178 52.919 53.050 -0.515 0.000 0.889 333 N CB 1.200 39.488 38.487 -0.331 0.000 1.285 333 N HN 0.998 nan 8.380 nan 0.000 0.503 334 G N 0.388 108.322 108.800 -1.444 0.000 2.698 334 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.200 334 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.200 334 G C 0.887 175.379 174.900 -0.679 0.000 2.083 334 G CA 0.338 44.916 45.100 -0.871 0.000 1.629 334 G HN 0.655 nan 8.290 nan 0.000 0.565 335 T N -1.015 113.306 114.554 -0.388 0.000 3.022 335 T HA 0.390 4.740 4.350 -0.000 0.000 0.250 335 T C 0.529 175.289 174.700 0.101 0.000 1.060 335 T CA 0.980 63.081 62.100 0.001 0.000 1.013 335 T CB 0.187 69.031 68.868 -0.041 0.000 0.982 335 T HN 0.458 nan 8.240 nan 0.000 0.508 336 N N 0.296 118.912 118.700 -0.140 0.000 2.235 336 N HA 0.475 5.215 4.740 -0.000 0.000 0.293 336 N C -1.858 173.674 175.510 0.037 0.000 1.083 336 N CA -0.496 52.572 53.050 0.030 0.000 0.801 336 N CB 1.949 40.435 38.487 -0.002 0.000 1.559 336 N HN 0.080 nan 8.380 nan 0.000 0.472 337 F N 0.941 121.025 119.950 0.222 0.000 2.399 337 F HA 0.559 5.086 4.527 -0.000 0.000 0.328 337 F C 0.013 175.855 175.800 0.069 0.000 1.084 337 F CA -0.148 57.958 58.000 0.177 0.000 1.053 337 F CB 0.836 39.735 39.000 -0.168 0.000 1.209 337 F HN 0.310 nan 8.300 nan 0.000 0.502 338 F N 2.061 122.263 119.950 0.420 0.000 2.588 338 F HA 0.628 5.155 4.527 0.000 0.000 0.310 338 F C -0.658 175.470 175.800 0.546 0.000 1.082 338 F CA -0.859 57.387 58.000 0.410 0.000 0.929 338 F CB 1.927 41.084 39.000 0.262 0.000 1.254 338 F HN 0.042 nan 8.300 nan 0.000 0.455 339 I N 2.226 123.182 120.570 0.642 0.000 2.497 339 I HA 0.239 4.409 4.170 -0.000 0.000 0.284 339 I C -0.649 175.744 176.117 0.460 0.000 1.060 339 I CA -0.623 61.023 61.300 0.577 0.000 1.071 339 I CB 1.564 39.857 38.000 0.487 0.000 1.216 339 I HN 0.748 nan 8.210 nan 0.000 0.442 340 N N 4.574 123.508 118.700 0.390 0.000 2.738 340 N HA -0.199 4.541 4.740 -0.000 0.000 0.249 340 N C 0.944 176.636 175.510 0.303 0.000 1.047 340 N CA 0.530 53.763 53.050 0.305 0.000 0.707 340 N CB -0.517 38.169 38.487 0.332 0.000 0.937 340 N HN 1.172 nan 8.380 nan 0.000 0.545 341 G N -1.646 107.358 108.800 0.339 0.000 2.166 341 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.260 341 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.260 341 G C 0.067 175.267 174.900 0.499 0.000 0.986 341 G CA 0.636 45.939 45.100 0.338 0.000 0.683 341 G HN 0.984 nan 8.290 nan 0.000 0.527 342 A N -0.776 122.346 122.820 0.503 0.000 2.386 342 A HA 0.867 5.187 4.320 -0.000 0.000 0.311 342 A C 0.021 177.694 177.584 0.148 0.000 1.068 342 A CA 0.494 52.738 52.037 0.345 0.000 0.743 342 A CB 1.899 21.057 19.000 0.264 0.000 1.258 342 A HN 1.416 nan 8.150 nan 0.000 0.429 343 S N 1.872 117.457 115.700 -0.192 0.000 2.566 343 S HA 0.531 5.001 4.470 -0.000 0.000 0.324 343 S C -0.547 174.037 174.600 -0.027 0.000 1.081 343 S CA -0.469 57.496 58.200 -0.390 0.000 1.105 343 S CB -0.220 62.348 63.200 -1.054 0.000 0.981 343 S HN 0.726 nan 8.310 nan 0.000 0.464 344 F N 4.754 124.720 119.950 0.026 0.000 2.629 344 F HA 0.379 4.906 4.527 -0.000 0.000 0.369 344 F C 0.661 176.498 175.800 0.062 0.000 1.125 344 F CA 0.941 58.998 58.000 0.095 0.000 1.330 344 F CB 0.736 39.848 39.000 0.186 0.000 1.071 344 F HN 0.475 nan 8.300 nan 0.000 0.595 345 T N 7.375 121.380 114.554 -0.915 0.000 3.293 345 T HA 0.375 4.725 4.350 -0.000 0.000 0.320 345 T C -2.901 171.228 174.700 -0.951 0.000 0.995 345 T CA -1.679 60.015 62.100 -0.676 0.000 1.041 345 T CB 0.886 69.559 68.868 -0.325 0.000 1.058 345 T HN 0.345 nan 8.240 nan 0.000 0.453 346 P HA 0.106 nan 4.420 nan 0.000 0.257 346 P C -2.397 174.654 177.300 -0.416 0.000 1.162 346 P CA -0.529 62.292 63.100 -0.465 0.000 0.762 346 P CB -0.053 31.437 31.700 -0.351 0.000 0.753 347 P HA 0.062 nan 4.420 nan 0.000 0.279 347 P C 0.697 177.906 177.300 -0.152 0.000 1.252 347 P CA -0.267 62.739 63.100 -0.156 0.000 0.811 347 P CB 0.815 32.491 31.700 -0.041 0.000 1.035 348 T N -1.511 112.976 114.554 -0.112 0.000 2.821 348 T HA -0.004 4.346 4.350 -0.000 0.000 0.267 348 T C 1.011 175.765 174.700 0.090 0.000 1.046 348 T CA 0.696 62.767 62.100 -0.049 0.000 1.139 348 T CB -0.554 68.293 68.868 -0.034 0.000 0.871 348 T HN 0.190 nan 8.240 nan 0.000 0.454 349 V N 4.980 124.931 119.914 0.063 0.000 2.383 349 V HA 0.331 4.451 4.120 -0.000 0.000 0.275 349 V C -2.215 173.933 176.094 0.090 0.000 1.036 349 V CA -2.524 59.816 62.300 0.066 0.000 0.889 349 V CB 1.086 32.930 31.823 0.036 0.000 0.985 349 V HN 0.262 nan 8.190 nan 0.000 0.459 350 P HA 0.034 nan 4.420 nan 0.000 0.266 350 P C 1.148 178.495 177.300 0.077 0.000 1.195 350 P CA 0.197 63.342 63.100 0.074 0.000 0.768 350 P CB 1.034 32.723 31.700 -0.019 0.000 0.838 351 V N 3.814 123.763 119.914 0.058 0.000 2.380 351 V HA -0.249 3.871 4.120 -0.000 0.000 0.251 351 V C 2.474 178.600 176.094 0.054 0.000 1.063 351 V CA 1.628 63.955 62.300 0.046 0.000 1.055 351 V CB -1.142 30.688 31.823 0.010 0.000 0.657 351 V HN 0.564 nan 8.190 nan 0.000 0.455 352 L N -0.781 120.489 121.223 0.079 0.000 2.046 352 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 352 L C 2.397 179.392 176.870 0.208 0.000 1.077 352 L CA 1.778 56.683 54.840 0.109 0.000 0.747 352 L CB -0.201 41.962 42.059 0.173 0.000 0.896 352 L HN 0.365 nan 8.230 nan 0.000 0.432 353 L N -0.081 121.330 121.223 0.313 0.000 2.093 353 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 353 L C 2.509 179.464 176.870 0.143 0.000 1.085 353 L CA 1.596 56.612 54.840 0.292 0.000 0.755 353 L CB -0.512 41.637 42.059 0.149 0.000 0.904 353 L HN 0.291 nan 8.230 nan 0.000 0.435 354 Q N -0.631 119.229 119.800 0.100 0.000 2.061 354 Q HA -0.213 4.127 4.340 -0.000 0.000 0.204 354 Q C 2.245 178.283 176.000 0.062 0.000 0.984 354 Q CA 2.187 58.030 55.803 0.068 0.000 0.846 354 Q CB -0.227 28.546 28.738 0.057 0.000 0.902 354 Q HN 0.562 nan 8.270 nan 0.000 0.421 355 I N 0.283 120.891 120.570 0.062 0.000 2.252 355 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 355 I C 2.112 178.258 176.117 0.048 0.000 1.102 355 I CA 0.964 62.292 61.300 0.047 0.000 1.385 355 I CB -0.207 37.812 38.000 0.031 0.000 1.064 355 I HN 0.195 nan 8.210 nan 0.000 0.414 356 I N 0.145 120.754 120.570 0.065 0.000 2.394 356 I HA -0.213 3.957 4.170 -0.000 0.000 0.251 356 I C 2.148 178.302 176.117 0.062 0.000 1.136 356 I CA 1.114 62.451 61.300 0.061 0.000 1.425 356 I CB -0.270 37.786 38.000 0.093 0.000 1.079 356 I HN 0.113 nan 8.210 nan 0.000 0.425 357 S N 0.033 115.774 115.700 0.068 0.000 2.603 357 S HA 0.156 4.626 4.470 -0.000 0.000 0.220 357 S C 1.457 176.080 174.600 0.039 0.000 0.967 357 S CA 0.833 59.065 58.200 0.053 0.000 0.920 357 S CB 0.442 63.673 63.200 0.052 0.000 0.773 357 S HN 0.728 nan 8.310 nan 0.000 0.529 358 G N 0.665 109.488 108.800 0.038 0.000 2.485 358 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.181 358 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.181 358 G C 0.181 175.099 174.900 0.031 0.000 0.999 358 G CA -0.377 44.741 45.100 0.031 0.000 0.721 358 G HN 0.698 nan 8.290 nan 0.000 0.486 359 A N 0.669 123.510 122.820 0.035 0.000 2.573 359 A HA 0.443 4.763 4.320 -0.000 0.000 0.250 359 A C 1.125 178.729 177.584 0.034 0.000 1.049 359 A CA 1.750 53.808 52.037 0.035 0.000 0.767 359 A CB 0.354 19.378 19.000 0.041 0.000 0.965 359 A HN 0.682 nan 8.150 nan 0.000 0.514 360 Q N 1.891 121.710 119.800 0.032 0.000 2.378 360 Q HA 0.028 4.368 4.340 -0.000 0.000 0.216 360 Q C 0.325 176.345 176.000 0.035 0.000 0.892 360 Q CA 0.778 56.600 55.803 0.031 0.000 0.931 360 Q CB 0.121 28.874 28.738 0.026 0.000 1.086 360 Q HN 1.002 nan 8.270 nan 0.000 0.528 361 N N -2.511 116.211 118.700 0.036 0.000 3.308 361 N HA 0.141 4.881 4.740 -0.000 0.000 0.276 361 N C 0.126 175.662 175.510 0.043 0.000 1.533 361 N CA 0.164 53.238 53.050 0.040 0.000 0.878 361 N CB 0.251 38.757 38.487 0.032 0.000 1.566 361 N HN -0.064 nan 8.380 nan 0.000 0.546 362 A N -0.187 122.659 122.820 0.044 0.000 1.908 362 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 362 A C 2.456 180.051 177.584 0.020 0.000 1.181 362 A CA 3.514 55.573 52.037 0.037 0.000 0.627 362 A CB -1.628 17.382 19.000 0.018 0.000 0.818 362 A HN 0.931 nan 8.150 nan 0.000 0.445 363 Q N -0.158 119.651 119.800 0.014 0.000 2.135 363 Q HA -0.278 4.062 4.340 -0.000 0.000 0.204 363 Q C 1.735 177.745 176.000 0.017 0.000 0.981 363 Q CA 2.092 57.902 55.803 0.011 0.000 0.856 363 Q CB -0.914 27.831 28.738 0.011 0.000 0.902 363 Q HN 0.794 nan 8.270 nan 0.000 0.425 364 D N -0.180 120.233 120.400 0.023 0.000 2.091 364 D HA 0.055 4.695 4.640 -0.000 0.000 0.199 364 D C 0.787 177.105 176.300 0.029 0.000 0.980 364 D CA 0.193 54.208 54.000 0.024 0.000 0.831 364 D CB -0.373 40.442 40.800 0.026 0.000 0.987 364 D HN 0.517 nan 8.370 nan 0.000 0.460 365 L N 1.619 122.865 121.223 0.039 0.000 2.559 365 L HA -0.034 4.306 4.340 -0.000 0.000 0.282 365 L C 0.414 177.314 176.870 0.051 0.000 1.232 365 L CA 0.225 55.095 54.840 0.050 0.000 0.885 365 L CB 0.171 42.270 42.059 0.067 0.000 1.131 365 L HN -0.086 nan 8.230 nan 0.000 0.498 366 L N 5.262 126.515 121.223 0.050 0.000 2.330 366 L HA 0.559 4.899 4.340 -0.000 0.000 0.271 366 L C -2.067 174.843 176.870 0.068 0.000 1.013 366 L CA -2.025 52.839 54.840 0.040 0.000 0.816 366 L CB 1.909 43.974 42.059 0.010 0.000 1.287 366 L HN 0.419 nan 8.230 nan 0.000 0.435 367 P HA 0.044 nan 4.420 nan 0.000 0.275 367 P C -0.540 176.794 177.300 0.057 0.000 1.228 367 P CA -0.312 62.795 63.100 0.011 0.000 0.786 367 P CB 1.459 33.111 31.700 -0.080 0.000 0.927 368 S N 1.002 116.720 115.700 0.031 0.000 2.549 368 S HA 0.382 4.852 4.470 -0.000 0.000 0.283 368 S C 1.510 176.138 174.600 0.047 0.000 1.320 368 S CA 1.117 59.336 58.200 0.032 0.000 1.058 368 S CB -1.103 62.109 63.200 0.020 0.000 0.882 368 S HN 0.872 nan 8.310 nan 0.000 0.498 369 G N 3.206 112.018 108.800 0.021 0.000 2.199 369 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.254 369 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.254 369 G C 0.700 175.636 174.900 0.060 0.000 0.982 369 G CA 0.530 45.644 45.100 0.024 0.000 0.632 369 G HN 0.804 nan 8.290 nan 0.000 0.529 370 S N -0.696 115.081 115.700 0.128 0.000 2.559 370 S HA 0.494 4.964 4.470 -0.000 0.000 0.226 370 S C 0.374 175.149 174.600 0.292 0.000 1.000 370 S CA 0.494 58.867 58.200 0.289 0.000 0.948 370 S CB 1.272 64.753 63.200 0.468 0.000 0.870 370 S HN 0.561 nan 8.310 nan 0.000 0.497 371 V N 2.225 122.199 119.914 0.101 0.000 2.495 371 V HA 0.533 4.653 4.120 -0.000 0.000 0.298 371 V C -1.304 174.792 176.094 0.003 0.000 1.031 371 V CA -0.742 61.663 62.300 0.174 0.000 0.871 371 V CB 1.049 32.960 31.823 0.147 0.000 0.988 371 V HN 0.271 nan 8.190 nan 0.000 0.432 372 Y N 0.976 121.459 120.300 0.306 0.000 2.409 372 Y HA 0.546 5.096 4.550 -0.000 0.000 0.343 372 Y C 0.603 176.626 175.900 0.205 0.000 0.973 372 Y CA -0.699 57.561 58.100 0.267 0.000 1.064 372 Y CB 2.186 40.862 38.460 0.361 0.000 1.207 372 Y HN 0.552 nan 8.280 nan 0.000 0.452 373 S N 3.287 119.129 115.700 0.237 0.000 2.537 373 S HA 0.554 5.024 4.470 -0.000 0.000 0.275 373 S C -0.999 173.661 174.600 0.100 0.000 1.272 373 S CA -0.418 57.873 58.200 0.152 0.000 1.050 373 S CB 0.427 63.684 63.200 0.094 0.000 0.961 373 S HN 0.332 nan 8.310 nan 0.000 0.496 374 L N 5.410 126.681 121.223 0.080 0.000 2.376 374 L HA 0.492 4.832 4.340 -0.000 0.000 0.275 374 L C -2.245 174.641 176.870 0.027 0.000 0.987 374 L CA -2.047 52.796 54.840 0.004 0.000 0.828 374 L CB 1.730 43.779 42.059 -0.017 0.000 1.249 374 L HN 0.378 nan 8.230 nan 0.000 0.409 375 P HA 0.196 nan 4.420 nan 0.000 0.275 375 P C -0.430 176.875 177.300 0.007 0.000 1.227 375 P CA -0.365 62.737 63.100 0.003 0.000 0.781 375 P CB 1.021 32.710 31.700 -0.018 0.000 0.906 376 S N 1.498 117.217 115.700 0.032 0.000 2.600 376 S HA 0.056 4.526 4.470 -0.000 0.000 0.265 376 S C 0.649 175.258 174.600 0.015 0.000 1.325 376 S CA -0.309 57.917 58.200 0.045 0.000 1.002 376 S CB -0.523 62.715 63.200 0.063 0.000 0.921 376 S HN 0.648 nan 8.310 nan 0.000 0.554 377 N N -0.213 118.498 118.700 0.020 0.000 2.686 377 N HA -0.186 4.554 4.740 -0.000 0.000 0.261 377 N C -0.579 174.913 175.510 -0.030 0.000 1.001 377 N CA 0.950 54.000 53.050 0.001 0.000 0.764 377 N CB -1.475 37.018 38.487 0.010 0.000 0.898 377 N HN 1.144 nan 8.380 nan 0.000 0.544 378 A N 0.666 123.446 122.820 -0.066 0.000 2.556 378 A HA 0.613 4.933 4.320 -0.000 0.000 0.294 378 A C -1.215 176.269 177.584 -0.167 0.000 1.091 378 A CA -0.785 51.190 52.037 -0.103 0.000 0.704 378 A CB 1.179 20.114 19.000 -0.109 0.000 1.300 378 A HN 0.324 nan 8.150 nan 0.000 0.406 379 D N 1.089 121.389 120.400 -0.167 0.000 2.198 379 D HA 0.548 5.188 4.640 -0.000 0.000 0.245 379 D C -0.549 175.566 176.300 -0.308 0.000 1.079 379 D CA 0.428 54.304 54.000 -0.207 0.000 0.854 379 D CB 1.452 42.180 40.800 -0.121 0.000 1.148 379 D HN 0.415 nan 8.370 nan 0.000 0.456 380 I N 0.958 121.231 120.570 -0.496 0.000 2.509 380 I HA 0.276 4.446 4.170 -0.000 0.000 0.293 380 I C 0.064 175.934 176.117 -0.412 0.000 1.020 380 I CA -0.764 60.175 61.300 -0.602 0.000 1.088 380 I CB 2.310 39.597 38.000 -1.189 0.000 1.267 380 I HN 0.204 nan 8.210 nan 0.000 0.430 381 E N 6.828 126.874 120.200 -0.257 0.000 2.224 381 E HA 0.632 4.982 4.350 -0.000 0.000 0.265 381 E C -1.682 174.834 176.600 -0.140 0.000 0.878 381 E CA -0.528 55.795 56.400 -0.128 0.000 0.759 381 E CB 1.908 31.567 29.700 -0.069 0.000 1.164 381 E HN 0.508 nan 8.360 nan 0.000 0.414 382 I N 2.911 123.408 120.570 -0.122 0.000 2.569 382 I HA 0.344 4.514 4.170 -0.000 0.000 0.296 382 I C -0.584 175.285 176.117 -0.413 0.000 1.028 382 I CA -0.831 60.300 61.300 -0.281 0.000 1.082 382 I CB 2.206 40.054 38.000 -0.254 0.000 1.264 382 I HN 0.487 nan 8.210 nan 0.000 0.429 383 S N 4.138 119.495 115.700 -0.571 0.000 2.500 383 S HA 0.656 5.126 4.470 -0.000 0.000 0.301 383 S C -0.873 173.245 174.600 -0.804 0.000 1.092 383 S CA -0.647 57.262 58.200 -0.485 0.000 1.030 383 S CB 1.091 64.153 63.200 -0.229 0.000 1.031 383 S HN 0.386 nan 8.310 nan 0.000 0.483 384 F N 1.486 121.230 119.950 -0.343 0.000 2.389 384 F HA 0.403 4.930 4.527 0.000 0.000 0.327 384 F C -2.624 172.879 175.800 -0.494 0.000 1.204 384 F CA -2.265 55.382 58.000 -0.589 0.000 1.209 384 F CB 0.706 39.420 39.000 -0.477 0.000 1.460 384 F HN 0.295 nan 8.300 nan 0.000 0.537 385 P HA -0.026 nan 4.420 nan 0.000 0.260 385 P C 0.013 177.248 177.300 -0.108 0.000 1.207 385 P CA 0.310 63.303 63.100 -0.179 0.000 0.780 385 P CB 0.506 32.115 31.700 -0.150 0.000 0.789 386 A N 4.095 126.947 122.820 0.053 0.000 2.545 386 A HA 0.272 4.592 4.320 -0.000 0.000 0.253 386 A C 0.347 178.037 177.584 0.176 0.000 1.074 386 A CA 0.833 52.990 52.037 0.200 0.000 0.760 386 A CB -0.435 18.666 19.000 0.168 0.000 1.005 386 A HN 0.444 nan 8.150 nan 0.000 0.506 387 T N 2.940 117.659 114.554 0.275 0.000 2.906 387 T HA 0.448 4.798 4.350 -0.000 0.000 0.302 387 T C 1.207 176.038 174.700 0.217 0.000 1.002 387 T CA 0.223 62.451 62.100 0.214 0.000 0.988 387 T CB 1.554 70.561 68.868 0.232 0.000 0.972 387 T HN 0.997 nan 8.240 nan 0.000 0.447 388 A N 2.585 125.491 122.820 0.144 0.000 2.204 388 A HA -0.017 4.303 4.320 -0.000 0.000 0.220 388 A C 2.338 179.986 177.584 0.106 0.000 1.165 388 A CA 1.796 53.899 52.037 0.110 0.000 0.671 388 A CB -0.628 18.414 19.000 0.069 0.000 0.792 388 A HN 0.957 nan 8.150 nan 0.000 0.473 389 A N -1.008 121.893 122.820 0.134 0.000 2.178 389 A HA 0.389 4.709 4.320 -0.000 0.000 0.218 389 A C 1.309 178.984 177.584 0.153 0.000 1.157 389 A CA 1.185 53.301 52.037 0.131 0.000 0.689 389 A CB -0.462 18.621 19.000 0.137 0.000 0.787 389 A HN 1.266 nan 8.150 nan 0.000 0.465 390 A N 0.716 123.638 122.820 0.169 0.000 2.508 390 A HA 0.627 4.947 4.320 -0.000 0.000 0.336 390 A C -2.874 174.772 177.584 0.104 0.000 1.360 390 A CA -1.586 50.516 52.037 0.108 0.000 0.841 390 A CB 0.282 19.360 19.000 0.131 0.000 1.136 390 A HN 0.146 nan 8.150 nan 0.000 0.489 391 P HA 0.409 nan 4.420 nan 0.000 0.272 391 P C 1.065 178.271 177.300 -0.156 0.000 1.223 391 P CA 1.387 64.345 63.100 -0.237 0.000 0.784 391 P CB 0.921 32.337 31.700 -0.472 0.000 0.923 392 G N 0.018 108.727 108.800 -0.152 0.000 2.168 392 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.197 392 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.197 392 G C 0.382 175.082 174.900 -0.333 0.000 0.997 392 G CA -0.115 44.934 45.100 -0.086 0.000 0.658 392 G HN 0.793 nan 8.290 nan 0.000 0.513 393 A N 1.001 123.541 122.820 -0.467 0.000 2.466 393 A HA 0.589 4.909 4.320 -0.000 0.000 0.238 393 A C -1.036 176.454 177.584 -0.158 0.000 1.074 393 A CA 0.031 51.777 52.037 -0.485 0.000 0.774 393 A CB 0.024 18.934 19.000 -0.149 0.000 1.015 393 A HN 0.379 nan 8.150 nan 0.000 0.498 394 P HA 0.218 nan 4.420 nan 0.000 0.286 394 P C -1.033 176.218 177.300 -0.082 0.000 1.269 394 P CA -0.105 62.963 63.100 -0.053 0.000 0.787 394 P CB 0.553 32.300 31.700 0.078 0.000 0.920 395 H N 3.997 123.169 119.070 0.170 0.000 2.723 395 H HA 0.236 4.792 4.556 -0.000 0.000 0.294 395 H C -2.092 173.297 175.328 0.102 0.000 1.079 395 H CA -1.963 54.199 56.048 0.190 0.000 1.411 395 H CB 0.163 30.135 29.762 0.350 0.000 1.439 395 H HN 0.244 nan 8.280 nan 0.000 0.474 396 P HA 0.119 nan 4.420 nan 0.000 0.286 396 P C -0.490 176.798 177.300 -0.022 0.000 1.321 396 P CA -0.176 62.924 63.100 0.000 0.000 0.790 396 P CB -0.047 31.690 31.700 0.062 0.000 0.897 397 F N 2.830 122.646 119.950 -0.224 0.000 2.385 397 F HA 0.411 4.938 4.527 0.000 0.000 0.336 397 F C 1.006 176.734 175.800 -0.121 0.000 1.100 397 F CA 0.166 57.976 58.000 -0.318 0.000 1.116 397 F CB 0.942 39.493 39.000 -0.747 0.000 1.166 397 F HN 0.352 nan 8.300 nan 0.000 0.511 398 H N 3.685 122.620 119.070 -0.225 0.000 2.600 398 H HA 0.542 5.098 4.556 -0.000 0.000 0.357 398 H C -1.777 173.467 175.328 -0.140 0.000 1.106 398 H CA -0.836 55.148 56.048 -0.107 0.000 1.193 398 H CB 1.374 31.069 29.762 -0.111 0.000 1.594 398 H HN 0.616 nan 8.280 nan 0.000 0.526 399 L N 5.706 126.694 121.223 -0.391 0.000 2.341 399 L HA 0.379 4.719 4.340 -0.000 0.000 0.278 399 L C -0.448 176.077 176.870 -0.575 0.000 1.005 399 L CA -0.698 53.934 54.840 -0.347 0.000 0.818 399 L CB 0.923 42.943 42.059 -0.065 0.000 1.259 399 L HN 0.766 nan 8.230 nan 0.000 0.418 400 H N 2.761 121.586 119.070 -0.408 0.000 2.505 400 H HA 0.185 4.741 4.556 -0.000 0.000 0.355 400 H C 0.922 176.020 175.328 -0.384 0.000 1.179 400 H CA 0.705 56.621 56.048 -0.219 0.000 1.343 400 H CB 1.714 31.541 29.762 0.109 0.000 1.501 400 H HN 0.927 nan 8.280 nan 0.000 0.569 401 G N 1.444 109.936 108.800 -0.513 0.000 2.220 401 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.269 401 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.269 401 G C 0.146 174.336 174.900 -1.184 0.000 0.977 401 G CA 0.557 44.808 45.100 -1.415 0.000 0.634 401 G HN 0.778 nan 8.290 nan 0.000 0.539 402 H N -0.783 118.073 119.070 -0.357 0.000 3.008 402 H HA 0.691 5.247 4.556 0.000 0.000 0.354 402 H C -0.056 175.276 175.328 0.007 0.000 1.252 402 H CA -0.122 55.701 56.048 -0.376 0.000 1.117 402 H CB 1.544 31.079 29.762 -0.379 0.000 1.857 402 H HN 0.668 nan 8.280 nan 0.000 0.547 403 A N 1.547 124.482 122.820 0.192 0.000 2.324 403 A HA 0.642 4.962 4.320 -0.000 0.000 0.330 403 A C -0.885 176.857 177.584 0.264 0.000 1.165 403 A CA -0.571 51.591 52.037 0.207 0.000 0.813 403 A CB 0.199 19.398 19.000 0.331 0.000 1.197 403 A HN 0.447 nan 8.150 nan 0.000 0.484 404 F N 0.221 120.294 119.950 0.205 0.000 2.575 404 F HA 0.851 5.378 4.527 0.000 0.000 0.330 404 F C 0.188 175.845 175.800 -0.239 0.000 1.056 404 F CA -1.448 56.615 58.000 0.105 0.000 0.964 404 F CB 1.331 40.375 39.000 0.072 0.000 1.258 404 F HN 0.633 nan 8.300 nan 0.000 0.484 405 A N 1.253 123.883 122.820 -0.317 0.000 2.301 405 A HA 0.621 4.941 4.320 -0.000 0.000 0.298 405 A C -0.799 176.713 177.584 -0.121 0.000 1.185 405 A CA -0.710 50.825 52.037 -0.836 0.000 0.830 405 A CB 0.548 18.910 19.000 -1.064 0.000 1.112 405 A HN 0.733 nan 8.150 nan 0.000 0.508 406 V N 5.353 125.223 119.914 -0.073 0.000 2.267 406 V HA 0.072 4.192 4.120 -0.000 0.000 0.254 406 V C 1.517 177.569 176.094 -0.070 0.000 1.144 406 V CA 0.329 62.648 62.300 0.032 0.000 0.992 406 V CB 0.099 31.959 31.823 0.062 0.000 1.199 406 V HN 0.906 nan 8.190 nan 0.000 0.493 407 V N 1.869 121.735 119.914 -0.080 0.000 2.626 407 V HA 0.072 4.192 4.120 -0.000 0.000 0.252 407 V C 1.038 176.970 176.094 -0.270 0.000 1.067 407 V CA 1.079 63.285 62.300 -0.156 0.000 1.081 407 V CB -0.441 31.323 31.823 -0.098 0.000 0.686 407 V HN 0.708 nan 8.190 nan 0.000 0.468 408 R N 0.175 120.513 120.500 -0.270 0.000 2.502 408 R HA 0.537 4.877 4.340 -0.000 0.000 0.298 408 R C -0.876 175.294 176.300 -0.218 0.000 1.018 408 R CA -0.151 55.707 56.100 -0.403 0.000 0.899 408 R CB 1.980 31.819 30.300 -0.770 0.000 1.181 408 R HN 0.420 nan 8.270 nan 0.000 0.444 409 S N 1.705 117.304 115.700 -0.169 0.000 2.672 409 S HA 0.526 4.996 4.470 -0.000 0.000 0.276 409 S C -0.188 174.362 174.600 -0.085 0.000 1.207 409 S CA -0.567 57.576 58.200 -0.096 0.000 1.002 409 S CB 1.616 64.778 63.200 -0.063 0.000 0.998 409 S HN 0.734 nan 8.310 nan 0.000 0.542 410 A N 0.570 123.355 122.820 -0.058 0.000 2.498 410 A HA 0.497 4.817 4.320 -0.000 0.000 0.239 410 A C 1.382 178.957 177.584 -0.015 0.000 1.068 410 A CA 0.278 52.293 52.037 -0.037 0.000 0.766 410 A CB -1.072 17.901 19.000 -0.046 0.000 1.003 410 A HN 1.846 nan 8.150 nan 0.000 0.497 411 G N 0.136 108.933 108.800 -0.005 0.000 2.160 411 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.251 411 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.251 411 G C 0.242 175.135 174.900 -0.011 0.000 1.008 411 G CA 0.864 45.967 45.100 0.005 0.000 0.724 411 G HN 1.983 nan 8.290 nan 0.000 0.514 412 S N -1.534 114.145 115.700 -0.036 0.000 2.541 412 S HA 0.715 5.185 4.470 -0.000 0.000 0.271 412 S C 0.776 175.328 174.600 -0.081 0.000 1.133 412 S CA 0.897 59.065 58.200 -0.053 0.000 0.876 412 S CB 1.578 64.736 63.200 -0.070 0.000 1.105 412 S HN 1.228 nan 8.310 nan 0.000 0.470 413 T N 0.426 114.948 114.554 -0.054 0.000 3.134 413 T HA 0.359 4.709 4.350 -0.000 0.000 0.260 413 T C 0.207 174.886 174.700 -0.035 0.000 1.027 413 T CA -0.123 61.958 62.100 -0.033 0.000 0.913 413 T CB -0.139 68.748 68.868 0.032 0.000 1.046 413 T HN 0.326 nan 8.240 nan 0.000 0.553 414 V N 1.836 121.690 119.914 -0.100 0.000 2.686 414 V HA 0.395 4.515 4.120 -0.000 0.000 0.295 414 V C -0.808 175.129 176.094 -0.260 0.000 1.057 414 V CA -0.813 61.444 62.300 -0.071 0.000 1.012 414 V CB 0.602 32.398 31.823 -0.045 0.000 1.006 414 V HN 0.439 nan 8.190 nan 0.000 0.477 415 Y N 2.983 123.193 120.300 -0.149 0.000 2.388 415 Y HA 0.373 4.923 4.550 0.000 0.000 0.328 415 Y C 0.406 176.016 175.900 -0.485 0.000 0.963 415 Y CA -0.674 57.215 58.100 -0.352 0.000 1.240 415 Y CB 1.010 39.247 38.460 -0.371 0.000 1.118 415 Y HN 0.569 nan 8.280 nan 0.000 0.484 416 N N 2.912 121.415 118.700 -0.329 0.000 2.462 416 N HA 0.081 4.821 4.740 -0.000 0.000 0.242 416 N C -0.610 174.759 175.510 -0.236 0.000 1.010 416 N CA -0.128 52.805 53.050 -0.194 0.000 0.939 416 N CB 0.381 38.837 38.487 -0.052 0.000 1.127 416 N HN 0.502 nan 8.380 nan 0.000 0.509 417 Y N 1.178 121.539 120.300 0.102 0.000 2.457 417 Y HA 0.163 4.713 4.550 -0.000 0.000 0.263 417 Y C 1.378 177.331 175.900 0.088 0.000 1.164 417 Y CA -0.242 57.911 58.100 0.087 0.000 1.274 417 Y CB 0.541 39.045 38.460 0.073 0.000 1.097 417 Y HN 0.544 nan 8.280 nan 0.000 0.523 418 D N -0.923 119.595 120.400 0.195 0.000 2.531 418 D HA 0.027 4.667 4.640 -0.000 0.000 0.263 418 D C 1.050 177.441 176.300 0.152 0.000 1.057 418 D CA 0.731 54.827 54.000 0.159 0.000 0.909 418 D CB 0.160 41.033 40.800 0.122 0.000 1.236 418 D HN 0.116 nan 8.370 nan 0.000 0.494 419 N N -0.336 118.461 118.700 0.161 0.000 2.197 419 N HA 0.179 4.919 4.740 -0.000 0.000 0.228 419 N C -2.564 173.168 175.510 0.369 0.000 1.212 419 N CA -0.848 52.342 53.050 0.232 0.000 0.883 419 N CB 1.163 39.720 38.487 0.118 0.000 1.107 419 N HN 0.183 nan 8.380 nan 0.000 0.519 420 P HA 0.064 nan 4.420 nan 0.000 0.269 420 P C -0.148 177.227 177.300 0.125 0.000 1.209 420 P CA -0.086 63.069 63.100 0.092 0.000 0.776 420 P CB 0.785 32.471 31.700 -0.023 0.000 0.876 421 I N 0.952 121.557 120.570 0.058 0.000 3.004 421 I HA 0.317 4.487 4.170 -0.000 0.000 0.287 421 I C 0.496 176.669 176.117 0.094 0.000 1.144 421 I CA -0.438 60.944 61.300 0.137 0.000 1.353 421 I CB -0.781 37.255 38.000 0.060 0.000 1.417 421 I HN 0.175 nan 8.210 nan 0.000 0.602 422 F N 2.013 121.959 119.950 -0.007 0.000 2.492 422 F HA 0.799 5.326 4.527 0.000 0.000 0.327 422 F C 0.491 176.185 175.800 -0.178 0.000 1.079 422 F CA -0.506 57.461 58.000 -0.055 0.000 0.967 422 F CB 1.530 40.528 39.000 -0.003 0.000 1.169 422 F HN 0.644 nan 8.300 nan 0.000 0.472 423 R N 0.164 120.498 120.500 -0.277 0.000 2.764 423 R HA 0.372 4.712 4.340 -0.000 0.000 0.276 423 R C -1.595 174.185 176.300 -0.867 0.000 1.021 423 R CA -0.720 55.131 56.100 -0.416 0.000 0.870 423 R CB 1.074 31.179 30.300 -0.325 0.000 1.293 423 R HN 0.549 nan 8.270 nan 0.000 0.469 424 D N -0.587 119.513 120.400 -0.499 0.000 2.441 424 D HA 0.194 4.834 4.640 -0.000 0.000 0.210 424 D C -0.302 176.127 176.300 0.216 0.000 1.102 424 D CA -0.045 53.797 54.000 -0.264 0.000 0.840 424 D CB 0.934 41.801 40.800 0.111 0.000 0.990 424 D HN 0.148 nan 8.370 nan 0.000 0.505 425 V N 0.923 120.887 119.914 0.083 0.000 2.577 425 V HA 0.573 4.693 4.120 -0.000 0.000 0.303 425 V C -1.000 175.202 176.094 0.181 0.000 1.042 425 V CA -1.067 61.365 62.300 0.221 0.000 0.872 425 V CB 2.172 34.025 31.823 0.050 0.000 0.998 425 V HN 0.057 nan 8.190 nan 0.000 0.423 426 V N 4.092 124.138 119.914 0.219 0.000 2.686 426 V HA 0.601 4.721 4.120 -0.000 0.000 0.306 426 V C 0.084 176.072 176.094 -0.175 0.000 1.065 426 V CA -0.211 62.123 62.300 0.057 0.000 0.894 426 V CB 2.531 34.481 31.823 0.211 0.000 1.004 426 V HN 0.965 nan 8.190 nan 0.000 0.424 427 S N 3.627 119.073 115.700 -0.424 0.000 2.510 427 S HA 0.159 4.629 4.470 -0.000 0.000 0.279 427 S C 1.086 175.521 174.600 -0.275 0.000 1.284 427 S CA 0.340 58.166 58.200 -0.623 0.000 1.059 427 S CB 0.732 63.116 63.200 -1.361 0.000 0.901 427 S HN 1.213 nan 8.310 nan 0.000 0.491 428 T N 2.720 117.202 114.554 -0.120 0.000 3.278 428 T HA 0.473 4.823 4.350 -0.000 0.000 0.251 428 T C 1.256 175.990 174.700 0.057 0.000 1.039 428 T CA 0.078 62.178 62.100 -0.001 0.000 0.935 428 T CB -1.069 67.879 68.868 0.132 0.000 1.034 428 T HN 1.337 nan 8.240 nan 0.000 0.575 429 G N 1.672 110.462 108.800 -0.016 0.000 2.578 429 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.275 429 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.275 429 G C -0.016 174.928 174.900 0.074 0.000 1.271 429 G CA 0.375 45.489 45.100 0.024 0.000 0.941 429 G HN 1.614 nan 8.290 nan 0.000 0.564 430 T N -3.638 110.960 114.554 0.073 0.000 2.843 430 T HA 0.688 5.038 4.350 -0.000 0.000 0.302 430 T C -2.257 172.490 174.700 0.078 0.000 1.232 430 T CA -0.554 61.595 62.100 0.082 0.000 1.009 430 T CB 2.420 71.321 68.868 0.056 0.000 1.254 430 T HN 0.314 nan 8.240 nan 0.000 0.504 431 P HA 0.119 nan 4.420 nan 0.000 0.225 431 P C 1.206 178.535 177.300 0.048 0.000 1.148 431 P CA 0.901 64.043 63.100 0.070 0.000 0.779 431 P CB -0.188 31.559 31.700 0.079 0.000 0.780 432 A N -0.763 122.081 122.820 0.041 0.000 2.178 432 A HA 0.310 4.630 4.320 -0.000 0.000 0.211 432 A C 1.957 179.559 177.584 0.030 0.000 1.157 432 A CA 0.987 53.043 52.037 0.032 0.000 0.780 432 A CB -0.644 18.371 19.000 0.026 0.000 0.828 432 A HN 0.168 nan 8.150 nan 0.000 0.476 433 A N -1.457 121.382 122.820 0.033 0.000 2.267 433 A HA 0.443 4.763 4.320 -0.000 0.000 0.213 433 A C 1.665 179.266 177.584 0.028 0.000 1.192 433 A CA 0.928 52.982 52.037 0.029 0.000 0.851 433 A CB -0.726 18.291 19.000 0.029 0.000 0.881 433 A HN 1.669 nan 8.150 nan 0.000 0.494 434 G N 0.579 109.399 108.800 0.034 0.000 2.283 434 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.280 434 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.280 434 G C -0.278 174.640 174.900 0.030 0.000 1.029 434 G CA 0.345 45.465 45.100 0.034 0.000 0.840 434 G HN 0.495 nan 8.290 nan 0.000 0.505 435 D N -0.364 120.054 120.400 0.031 0.000 2.419 435 D HA 0.222 4.862 4.640 -0.000 0.000 0.236 435 D C 0.911 177.220 176.300 0.016 0.000 1.165 435 D CA 0.517 54.528 54.000 0.018 0.000 0.882 435 D CB 0.586 41.402 40.800 0.027 0.000 1.201 435 D HN 0.271 nan 8.370 nan 0.000 0.443 436 N N 0.935 119.632 118.700 -0.006 0.000 2.581 436 N HA 0.002 4.742 4.740 -0.000 0.000 0.274 436 N C -1.409 174.088 175.510 -0.021 0.000 1.629 436 N CA -0.236 52.810 53.050 -0.006 0.000 0.884 436 N CB 0.054 38.556 38.487 0.025 0.000 1.423 436 N HN 0.003 nan 8.380 nan 0.000 0.507 437 V N 1.219 121.129 119.914 -0.007 0.000 2.780 437 V HA -0.019 4.101 4.120 -0.000 0.000 0.301 437 V C 0.487 176.621 176.094 0.067 0.000 1.168 437 V CA 0.875 63.175 62.300 0.001 0.000 1.305 437 V CB 0.085 31.918 31.823 0.018 0.000 0.858 437 V HN 0.384 nan 8.190 nan 0.000 0.502 438 T N 6.467 121.025 114.554 0.006 0.000 2.886 438 T HA 0.720 5.070 4.350 -0.000 0.000 0.292 438 T C -0.325 174.393 174.700 0.031 0.000 1.012 438 T CA -0.358 61.759 62.100 0.029 0.000 0.982 438 T CB 1.536 70.444 68.868 0.067 0.000 1.018 438 T HN 0.701 nan 8.240 nan 0.000 0.451 439 I N -0.361 120.231 120.570 0.037 0.000 3.002 439 I HA 0.856 5.026 4.170 -0.000 0.000 0.310 439 I C -1.051 175.116 176.117 0.083 0.000 1.087 439 I CA -1.393 59.928 61.300 0.035 0.000 1.017 439 I CB 2.409 40.298 38.000 -0.185 0.000 1.226 439 I HN 0.405 nan 8.210 nan 0.000 0.443 440 R N 2.386 122.972 120.500 0.144 0.000 2.740 440 R HA 0.747 5.087 4.340 -0.000 0.000 0.273 440 R C -1.825 174.659 176.300 0.307 0.000 0.998 440 R CA -0.634 55.548 56.100 0.137 0.000 0.900 440 R CB 2.693 33.029 30.300 0.060 0.000 1.223 440 R HN 0.754 nan 8.270 nan 0.000 0.466 441 F N -2.732 117.225 119.950 0.011 0.000 2.693 441 F HA 0.729 5.256 4.527 0.000 0.000 0.309 441 F C -0.782 174.962 175.800 -0.094 0.000 1.129 441 F CA -1.176 56.826 58.000 0.004 0.000 0.948 441 F CB 0.875 39.859 39.000 -0.027 0.000 1.315 441 F HN 0.493 nan 8.300 nan 0.000 0.447 442 R N 0.024 120.517 120.500 -0.013 0.000 2.346 442 R HA 0.672 5.012 4.340 -0.000 0.000 0.311 442 R C -0.133 176.080 176.300 -0.144 0.000 0.983 442 R CA -0.423 55.604 56.100 -0.121 0.000 0.880 442 R CB 0.127 30.419 30.300 -0.014 0.000 1.100 442 R HN 1.027 nan 8.270 nan 0.000 0.453 443 T N -0.010 114.450 114.554 -0.156 0.000 2.978 443 T HA 0.156 4.506 4.350 -0.000 0.000 0.278 443 T C -0.104 174.658 174.700 0.103 0.000 0.945 443 T CA -0.011 62.076 62.100 -0.023 0.000 1.070 443 T CB 0.063 68.933 68.868 0.003 0.000 0.948 443 T HN 0.730 nan 8.240 nan 0.000 0.617 444 D N 1.378 121.913 120.400 0.224 0.000 2.479 444 D HA 0.053 4.693 4.640 -0.000 0.000 0.218 444 D C -0.078 176.340 176.300 0.197 0.000 1.177 444 D CA -0.526 53.579 54.000 0.175 0.000 0.830 444 D CB 0.174 41.033 40.800 0.098 0.000 1.014 444 D HN 0.405 nan 8.370 nan 0.000 0.503 445 N N 1.350 120.234 118.700 0.308 0.000 2.607 445 N HA 0.288 5.028 4.740 -0.000 0.000 0.271 445 N C -3.038 172.756 175.510 0.474 0.000 1.142 445 N CA -1.469 51.719 53.050 0.229 0.000 0.810 445 N CB 2.030 40.406 38.487 -0.185 0.000 1.306 445 N HN -0.185 nan 8.380 nan 0.000 0.536 446 P HA 0.328 nan 4.420 nan 0.000 0.268 446 P C 0.034 177.500 177.300 0.276 0.000 1.204 446 P CA 0.506 63.787 63.100 0.302 0.000 0.768 446 P CB 0.666 32.471 31.700 0.176 0.000 0.842 447 G N 3.359 112.242 108.800 0.138 0.000 2.351 447 G HA2 0.108 4.068 3.960 -0.000 0.000 0.353 447 G HA3 0.108 4.068 3.960 -0.000 0.000 0.353 447 G C -3.398 171.183 174.900 -0.532 0.000 1.358 447 G CA -0.937 44.017 45.100 -0.243 0.000 0.995 447 G HN 0.319 nan 8.290 nan 0.000 0.611 448 P HA 0.465 nan 4.420 nan 0.000 0.287 448 P C -1.199 175.676 177.300 -0.709 0.000 1.281 448 P CA -0.101 62.742 63.100 -0.428 0.000 0.781 448 P CB 0.405 31.962 31.700 -0.238 0.000 0.903 449 W N 3.123 124.492 121.300 0.114 0.000 2.785 449 W HA 0.395 5.055 4.660 -0.000 0.000 0.333 449 W C -0.116 176.434 176.519 0.053 0.000 1.062 449 W CA -0.860 56.530 57.345 0.075 0.000 1.233 449 W CB 1.199 30.770 29.460 0.185 0.000 1.413 449 W HN 0.219 nan 8.180 nan 0.000 0.489 450 F N 3.471 123.372 119.950 -0.081 0.000 2.410 450 F HA 0.528 5.055 4.527 -0.000 0.000 0.334 450 F C -0.230 175.501 175.800 -0.116 0.000 1.134 450 F CA -1.266 56.600 58.000 -0.224 0.000 1.227 450 F CB 0.994 39.711 39.000 -0.472 0.000 1.194 450 F HN 0.105 nan 8.300 nan 0.000 0.571 451 L N 5.306 126.457 121.223 -0.119 0.000 2.482 451 L HA 0.426 4.766 4.340 -0.000 0.000 0.269 451 L C -1.512 175.127 176.870 -0.386 0.000 0.967 451 L CA -0.166 54.488 54.840 -0.310 0.000 0.851 451 L CB 1.259 43.032 42.059 -0.476 0.000 1.242 451 L HN 0.801 nan 8.230 nan 0.000 0.404 452 H N 1.599 120.393 119.070 -0.460 0.000 2.967 452 H HA 0.508 5.064 4.556 -0.000 0.000 0.318 452 H C -1.018 173.560 175.328 -1.250 0.000 1.375 452 H CA -0.900 54.657 56.048 -0.818 0.000 1.132 452 H CB 0.694 29.886 29.762 -0.950 0.000 1.848 452 H HN 0.699 nan 8.280 nan 0.000 0.524 453 C N 1.568 119.993 119.300 -1.459 0.000 2.644 453 C HA 0.138 4.598 4.460 -0.000 0.000 0.417 453 C C 1.252 176.074 174.990 -0.281 0.000 1.304 453 C CA -0.078 58.197 59.018 -1.238 0.000 2.035 453 C CB -0.712 26.522 27.740 -0.843 0.000 2.673 453 C HN 0.994 nan 8.230 nan 0.000 0.602 454 H N 4.064 123.026 119.070 -0.181 0.000 2.524 454 H HA 0.296 4.852 4.556 -0.000 0.000 0.280 454 H C 0.377 175.725 175.328 0.033 0.000 1.018 454 H CA 0.315 56.401 56.048 0.064 0.000 1.165 454 H CB -0.006 29.820 29.762 0.106 0.000 1.411 454 H HN 0.641 nan 8.280 nan 0.000 0.569 455 I N 1.576 122.157 120.570 0.019 0.000 2.260 455 I HA -0.081 4.089 4.170 -0.000 0.000 0.297 455 I C 1.277 177.294 176.117 -0.166 0.000 1.143 455 I CA -0.132 61.107 61.300 -0.102 0.000 1.271 455 I CB 0.681 38.414 38.000 -0.445 0.000 1.461 455 I HN 0.003 nan 8.210 nan 0.000 0.530 456 D N 4.504 124.760 120.400 -0.239 0.000 2.191 456 D HA -0.253 4.387 4.640 -0.000 0.000 0.195 456 D C 1.737 177.850 176.300 -0.311 0.000 1.003 456 D CA 2.092 55.842 54.000 -0.418 0.000 0.867 456 D CB 0.058 40.369 40.800 -0.815 0.000 0.926 456 D HN 0.465 nan 8.370 nan 0.000 0.450 457 F N -0.456 119.489 119.950 -0.007 0.000 2.269 457 F HA -0.056 4.471 4.527 -0.000 0.000 0.301 457 F C 2.357 178.458 175.800 0.502 0.000 1.082 457 F CA 1.083 59.195 58.000 0.187 0.000 1.360 457 F CB -0.587 38.583 39.000 0.282 0.000 1.041 457 F HN 0.301 nan 8.300 nan 0.000 0.512 458 H N -1.215 118.076 119.070 0.368 0.000 2.448 458 H HA 0.017 4.573 4.556 0.000 0.000 0.292 458 H C 2.353 177.787 175.328 0.177 0.000 1.035 458 H CA 0.420 56.615 56.048 0.245 0.000 1.349 458 H CB 0.065 29.681 29.762 -0.242 0.000 1.425 458 H HN 0.210 nan 8.280 nan 0.000 0.539 459 L N 1.406 122.720 121.223 0.153 0.000 2.017 459 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 459 L C 2.758 179.712 176.870 0.141 0.000 1.073 459 L CA 1.797 56.641 54.840 0.008 0.000 0.745 459 L CB -0.538 41.374 42.059 -0.245 0.000 0.894 459 L HN 0.423 nan 8.230 nan 0.000 0.432 460 E N -0.060 120.222 120.200 0.137 0.000 2.209 460 E HA -0.169 4.181 4.350 -0.000 0.000 0.196 460 E C 1.730 178.465 176.600 0.226 0.000 0.993 460 E CA 1.289 57.782 56.400 0.155 0.000 0.819 460 E CB -0.761 28.996 29.700 0.095 0.000 0.745 460 E HN 0.722 nan 8.360 nan 0.000 0.477 461 A N -1.218 121.817 122.820 0.359 0.000 2.337 461 A HA 0.530 4.850 4.320 -0.000 0.000 0.227 461 A C 2.031 179.841 177.584 0.376 0.000 1.259 461 A CA 1.061 53.345 52.037 0.413 0.000 0.870 461 A CB -0.473 18.967 19.000 0.733 0.000 0.927 461 A HN 1.498 nan 8.150 nan 0.000 0.497 462 G N -1.718 107.290 108.800 0.347 0.000 2.157 462 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.239 462 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.239 462 G C 0.094 175.244 174.900 0.417 0.000 0.982 462 G CA 0.116 45.422 45.100 0.342 0.000 0.650 462 G HN 0.557 nan 8.290 nan 0.000 0.527 463 F N 2.386 122.439 119.950 0.170 0.000 2.651 463 F HA 0.649 5.176 4.527 -0.000 0.000 0.369 463 F C 0.738 176.506 175.800 -0.054 0.000 1.187 463 F CA -0.464 57.548 58.000 0.020 0.000 1.335 463 F CB -0.706 38.063 39.000 -0.385 0.000 1.707 463 F HN 0.622 nan 8.300 nan 0.000 0.637 464 A N 1.124 124.006 122.820 0.102 0.000 2.593 464 A HA 0.879 5.199 4.320 -0.000 0.000 0.290 464 A C -1.592 175.978 177.584 -0.024 0.000 1.126 464 A CA -0.634 51.288 52.037 -0.193 0.000 0.695 464 A CB 1.705 20.298 19.000 -0.678 0.000 1.290 464 A HN 0.088 nan 8.150 nan 0.000 0.414 465 V N -0.784 119.057 119.914 -0.122 0.000 3.188 465 V HA 0.622 4.742 4.120 -0.000 0.000 0.305 465 V C -1.103 175.025 176.094 0.056 0.000 1.232 465 V CA -0.477 61.869 62.300 0.077 0.000 1.043 465 V CB 2.318 34.197 31.823 0.093 0.000 1.068 465 V HN 0.898 nan 8.190 nan 0.000 0.439 466 V N 2.486 122.521 119.914 0.202 0.000 2.604 466 V HA 0.582 4.702 4.120 -0.000 0.000 0.305 466 V C -1.322 174.992 176.094 0.365 0.000 1.043 466 V CA -0.543 61.882 62.300 0.208 0.000 0.888 466 V CB 1.855 33.790 31.823 0.187 0.000 0.995 466 V HN 0.612 nan 8.190 nan 0.000 0.429 467 F N 2.959 123.093 119.950 0.307 0.000 2.375 467 F HA 0.645 5.172 4.527 -0.000 0.000 0.361 467 F C 0.618 176.576 175.800 0.264 0.000 1.117 467 F CA -1.535 56.660 58.000 0.325 0.000 1.037 467 F CB 1.476 40.696 39.000 0.367 0.000 1.192 467 F HN 0.526 nan 8.300 nan 0.000 0.452 468 A N 3.634 126.699 122.820 0.407 0.000 2.666 468 A HA 0.265 4.585 4.320 -0.000 0.000 0.312 468 A C 0.333 178.057 177.584 0.234 0.000 1.471 468 A CA -0.441 51.734 52.037 0.231 0.000 1.134 468 A CB -0.428 18.673 19.000 0.168 0.000 1.129 468 A HN 0.722 nan 8.150 nan 0.000 0.539 469 E N 2.624 122.993 120.200 0.281 0.000 2.223 469 E HA 0.201 4.551 4.350 -0.000 0.000 0.282 469 E C -0.578 176.144 176.600 0.203 0.000 1.046 469 E CA -0.253 56.325 56.400 0.297 0.000 0.857 469 E CB 0.321 30.335 29.700 0.524 0.000 1.055 469 E HN 0.666 nan 8.360 nan 0.000 0.409 470 D N 4.458 124.946 120.400 0.148 0.000 2.904 470 D HA -0.228 4.412 4.640 -0.000 0.000 0.231 470 D C 0.584 176.938 176.300 0.090 0.000 1.185 470 D CA 0.580 54.645 54.000 0.108 0.000 0.783 470 D CB -0.939 39.932 40.800 0.118 0.000 0.961 470 D HN 0.628 nan 8.370 nan 0.000 0.409 471 I N 0.570 121.186 120.570 0.078 0.000 2.185 471 I HA -0.247 3.923 4.170 -0.000 0.000 0.246 471 I C -0.477 175.669 176.117 0.048 0.000 1.088 471 I CA 1.225 62.561 61.300 0.059 0.000 1.347 471 I CB -1.014 37.020 38.000 0.057 0.000 1.041 471 I HN 0.348 nan 8.210 nan 0.000 0.415 472 P HA -0.152 nan 4.420 nan 0.000 0.215 472 P C 0.893 178.216 177.300 0.039 0.000 1.153 472 P CA 1.491 64.614 63.100 0.039 0.000 0.853 472 P CB -0.045 31.677 31.700 0.037 0.000 0.788 473 D N -1.480 118.949 120.400 0.049 0.000 2.347 473 D HA -0.036 4.604 4.640 -0.000 0.000 0.213 473 D C 1.908 178.237 176.300 0.048 0.000 0.985 473 D CA 0.336 54.366 54.000 0.051 0.000 0.879 473 D CB -0.535 40.303 40.800 0.063 0.000 0.919 473 D HN -0.026 nan 8.370 nan 0.000 0.526 474 V N 1.938 121.878 119.914 0.043 0.000 2.220 474 V HA -0.338 3.782 4.120 -0.000 0.000 0.250 474 V C 2.651 178.749 176.094 0.006 0.000 1.056 474 V CA 2.285 64.599 62.300 0.023 0.000 1.016 474 V CB -0.953 30.873 31.823 0.005 0.000 0.639 474 V HN 0.250 nan 8.190 nan 0.000 0.446 475 A N 0.541 123.364 122.820 0.005 0.000 1.883 475 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 475 A C 2.536 180.120 177.584 -0.001 0.000 1.186 475 A CA 2.779 54.812 52.037 -0.006 0.000 0.624 475 A CB -0.883 18.119 19.000 0.004 0.000 0.822 475 A HN 0.740 nan 8.150 nan 0.000 0.444 476 S N 0.051 115.760 115.700 0.014 0.000 2.368 476 S HA 0.086 4.556 4.470 -0.000 0.000 0.224 476 S C 2.087 176.706 174.600 0.031 0.000 1.029 476 S CA 1.246 59.458 58.200 0.020 0.000 0.988 476 S CB -0.690 62.525 63.200 0.025 0.000 0.838 476 S HN 0.925 nan 8.310 nan 0.000 0.462 477 A N 2.133 124.978 122.820 0.042 0.000 2.015 477 A HA 0.119 4.439 4.320 -0.000 0.000 0.219 477 A C 0.881 178.507 177.584 0.070 0.000 1.163 477 A CA 1.003 53.076 52.037 0.061 0.000 0.646 477 A CB -0.567 18.480 19.000 0.078 0.000 0.806 477 A HN 0.659 nan 8.150 nan 0.000 0.448 478 N N 0.297 119.027 118.700 0.050 0.000 3.012 478 N HA 0.353 5.093 4.740 -0.000 0.000 0.270 478 N C -3.111 172.428 175.510 0.048 0.000 1.469 478 N CA -1.146 51.953 53.050 0.081 0.000 0.928 478 N CB 0.780 39.296 38.487 0.048 0.000 1.219 478 N HN 0.115 nan 8.380 nan 0.000 0.492 479 P HA -0.059 nan 4.420 nan 0.000 0.262 479 P C -0.460 176.718 177.300 -0.203 0.000 1.182 479 P CA -0.181 62.890 63.100 -0.049 0.000 0.761 479 P CB 0.640 32.336 31.700 -0.007 0.000 0.795 480 V N 2.564 122.254 119.914 -0.373 0.000 2.435 480 V HA 0.647 4.767 4.120 -0.000 0.000 0.290 480 V C -2.048 173.750 176.094 -0.493 0.000 1.030 480 V CA -2.426 59.428 62.300 -0.745 0.000 0.881 480 V CB 1.069 32.391 31.823 -0.835 0.000 0.983 480 V HN 0.412 nan 8.190 nan 0.000 0.445 481 P HA 0.318 nan 4.420 nan 0.000 0.274 481 P C 0.886 178.123 177.300 -0.106 0.000 1.237 481 P CA 0.408 63.303 63.100 -0.341 0.000 0.793 481 P CB 1.227 32.652 31.700 -0.459 0.000 0.977 482 Q N 2.050 121.822 119.800 -0.047 0.000 2.077 482 Q HA -0.235 4.105 4.340 -0.000 0.000 0.206 482 Q C 2.289 178.326 176.000 0.061 0.000 0.989 482 Q CA 3.079 58.889 55.803 0.013 0.000 0.853 482 Q CB -1.784 26.955 28.738 0.001 0.000 0.907 482 Q HN 0.676 nan 8.270 nan 0.000 0.418 483 A N -0.870 122.006 122.820 0.093 0.000 1.948 483 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 483 A C 2.002 179.740 177.584 0.256 0.000 1.177 483 A CA 1.717 53.878 52.037 0.206 0.000 0.636 483 A CB -0.894 18.280 19.000 0.291 0.000 0.815 483 A HN 0.915 nan 8.150 nan 0.000 0.449 484 W N 1.682 123.042 121.300 0.100 0.000 2.381 484 W HA -0.196 4.464 4.660 -0.000 0.000 0.301 484 W C 2.512 178.943 176.519 -0.146 0.000 1.205 484 W CA 2.357 59.654 57.345 -0.081 0.000 1.285 484 W CB -0.220 29.166 29.460 -0.124 0.000 1.133 484 W HN 0.396 nan 8.180 nan 0.000 0.521 485 S N -0.707 115.073 115.700 0.134 0.000 2.507 485 S HA -0.144 4.326 4.470 -0.000 0.000 0.235 485 S C 1.145 175.649 174.600 -0.161 0.000 0.988 485 S CA 1.368 59.552 58.200 -0.027 0.000 0.944 485 S CB -0.412 62.862 63.200 0.124 0.000 0.762 485 S HN 0.253 nan 8.310 nan 0.000 0.526 486 D N 0.930 121.245 120.400 -0.143 0.000 2.327 486 D HA 0.160 4.800 4.640 -0.000 0.000 0.205 486 D C 1.697 177.859 176.300 -0.230 0.000 0.989 486 D CA 0.034 53.948 54.000 -0.143 0.000 0.873 486 D CB -0.208 40.546 40.800 -0.077 0.000 0.955 486 D HN 0.198 nan 8.370 nan 0.000 0.515 487 L N 1.200 122.209 121.223 -0.355 0.000 1.978 487 L HA -0.237 4.103 4.340 -0.000 0.000 0.218 487 L C 2.528 179.216 176.870 -0.303 0.000 1.075 487 L CA 1.430 56.016 54.840 -0.423 0.000 0.767 487 L CB -1.231 40.409 42.059 -0.699 0.000 0.890 487 L HN 0.149 nan 8.230 nan 0.000 0.434 488 c N -0.814 117.584 118.600 -0.336 0.000 2.432 488 c HA -0.109 4.461 4.570 -0.000 0.000 0.277 488 c C 0.355 174.406 174.090 -0.066 0.000 1.249 488 c CA 0.677 56.903 56.329 -0.171 0.000 1.725 488 c CB -1.631 40.753 42.510 -0.210 0.000 2.028 488 c HN 0.393 nan 8.230 nan 0.000 0.477 489 P HA -0.133 nan 4.420 nan 0.000 0.215 489 P C 1.770 179.032 177.300 -0.063 0.000 1.153 489 P CA 2.262 65.320 63.100 -0.069 0.000 0.853 489 P CB -0.254 31.401 31.700 -0.075 0.000 0.788 490 T N -2.658 111.838 114.554 -0.097 0.000 2.904 490 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 490 T C 1.762 176.427 174.700 -0.059 0.000 1.059 490 T CA 0.820 62.850 62.100 -0.117 0.000 1.137 490 T CB -0.814 67.888 68.868 -0.277 0.000 0.879 490 T HN -0.025 nan 8.240 nan 0.000 0.467 491 Y N 1.501 121.721 120.300 -0.133 0.000 2.243 491 Y HA 0.066 4.616 4.550 -0.000 0.000 0.293 491 Y C 2.033 177.919 175.900 -0.023 0.000 1.124 491 Y CA 1.547 59.603 58.100 -0.073 0.000 1.159 491 Y CB -0.187 38.219 38.460 -0.090 0.000 1.008 491 Y HN 0.219 nan 8.280 nan 0.000 0.527 492 D N 0.061 120.435 120.400 -0.042 0.000 2.269 492 D HA -0.079 4.561 4.640 -0.000 0.000 0.208 492 D C 2.084 178.310 176.300 -0.124 0.000 0.963 492 D CA 1.117 55.064 54.000 -0.087 0.000 0.864 492 D CB -0.227 40.579 40.800 0.010 0.000 0.936 492 D HN 0.485 nan 8.370 nan 0.000 0.505 493 A N 0.950 123.708 122.820 -0.103 0.000 2.066 493 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 493 A C 1.298 178.822 177.584 -0.101 0.000 1.157 493 A CA 0.371 52.360 52.037 -0.080 0.000 0.670 493 A CB 0.019 18.988 19.000 -0.051 0.000 0.804 493 A HN -0.020 nan 8.150 nan 0.000 0.453 494 R N 1.810 122.215 120.500 -0.159 0.000 2.679 494 R HA 0.119 4.459 4.340 -0.000 0.000 0.268 494 R C -0.832 175.373 176.300 -0.157 0.000 1.044 494 R CA 0.003 56.008 56.100 -0.158 0.000 1.105 494 R CB 0.027 30.191 30.300 -0.226 0.000 0.989 494 R HN 0.387 nan 8.270 nan 0.000 0.447 495 D N 3.095 123.427 120.400 -0.113 0.000 2.304 495 D HA 0.087 4.727 4.640 -0.000 0.000 0.247 495 D C -1.366 174.862 176.300 -0.119 0.000 1.089 495 D CA -1.512 52.426 54.000 -0.103 0.000 0.910 495 D CB 1.058 41.808 40.800 -0.083 0.000 1.199 495 D HN 0.119 nan 8.370 nan 0.000 0.426 496 P HA -0.237 nan 4.420 nan 0.000 0.220 496 P C 1.232 178.448 177.300 -0.140 0.000 1.155 496 P CA 1.849 64.902 63.100 -0.078 0.000 0.880 496 P CB 0.255 31.922 31.700 -0.054 0.000 0.790 497 S N -2.765 112.781 115.700 -0.257 0.000 2.468 497 S HA 0.018 4.488 4.470 -0.000 0.000 0.226 497 S C 1.503 175.868 174.600 -0.392 0.000 1.051 497 S CA 0.258 58.105 58.200 -0.588 0.000 0.943 497 S CB -0.963 61.974 63.200 -0.438 0.000 0.810 497 S HN 0.054 nan 8.310 nan 0.000 0.509 498 D N 2.441 122.730 120.400 -0.184 0.000 2.400 498 D HA 0.011 4.651 4.640 -0.000 0.000 0.242 498 D C 0.500 176.778 176.300 -0.036 0.000 1.077 498 D CA 0.378 54.325 54.000 -0.088 0.000 0.943 498 D CB -0.128 40.635 40.800 -0.061 0.000 0.882 498 D HN 0.438 nan 8.370 nan 0.000 0.529 499 Q N 0.000 119.785 119.800 -0.025 0.000 2.315 499 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 499 Q CA 0.000 55.851 55.803 0.080 0.000 1.022 499 Q CB 0.000 28.897 28.738 0.265 0.000 1.108 499 Q HN 0.000 nan 8.270 nan 0.000 0.481