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 2w6n_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLDKIVIANR GEIALRILRA CKELGIKTVA VHSSADRDLK HVLLADETVC DATA SEQUENCE IGPAPSVKSY LNIPAIISAA EITGAVAIHP GYGFLSENAN FAEQVERSGF DATA SEQUENCE IFIGPKAETI RLMGDKVSAI AAMKKAGVPC VPGSDGPLGD DMDKNRAIAK DATA SEQUENCE RIGYPVIIKA SGGGGGRGMR VVRGDAELAQ SISMTRAEAK AAFSNDMVYM DATA SEQUENCE EKYLENPRHV EIQVLADGQG NAIYLAERDC SMQRRHQKVV EEAPAPGITP DATA SEQUENCE ELRRYIGERC AKACVDIGYR GAGTFEFLFE NGEFYFIEMN TRIQVEHPVT DATA SEQUENCE EMITGVDLIK EQLRIAAGQP LSIKQEEVHV RGHAVECRIN AEDPNTFLPS DATA SEQUENCE PGKITRFHAP GGFGVRWESH IYAGYTVPPY YDSMIGKLIC YGENRDVAIA DATA SEQUENCE RMKNALQELI IDGIKTNVDL QIRIMNDENF QHGGTNIHYL EKKLG 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.302 176.300 0.003 0.000 1.140 1 M CA 0.000 55.300 55.300 -0.001 0.000 0.988 1 M CB 0.000 32.600 32.600 0.000 0.000 1.302 2 L N 3.134 124.360 121.223 0.005 0.000 2.499 2 L HA 0.126 4.466 4.340 0.001 0.000 0.273 2 L C 0.900 177.780 176.870 0.017 0.000 1.195 2 L CA 0.113 54.960 54.840 0.013 0.000 0.882 2 L CB 0.159 42.227 42.059 0.015 0.000 1.133 2 L HN 0.833 nan 8.230 nan 0.000 0.483 3 D N 2.329 122.741 120.400 0.020 0.000 2.123 3 D HA -0.082 4.559 4.640 0.001 0.000 0.200 3 D C 0.497 176.813 176.300 0.026 0.000 0.976 3 D CA 1.367 55.379 54.000 0.020 0.000 0.831 3 D CB 0.413 41.225 40.800 0.020 0.000 0.974 3 D HN 0.476 nan 8.370 nan 0.000 0.469 4 K N -0.353 120.069 120.400 0.038 0.000 2.557 4 K HA 0.369 4.690 4.320 0.001 0.000 0.257 4 K C -1.585 175.048 176.600 0.056 0.000 0.933 4 K CA -0.816 55.497 56.287 0.043 0.000 0.820 4 K CB 1.284 33.812 32.500 0.048 0.000 1.330 4 K HN 0.173 nan 8.250 nan 0.000 0.432 5 I N 0.186 120.783 120.570 0.044 0.000 2.828 5 I HA 0.563 4.734 4.170 0.001 0.000 0.302 5 I C -1.125 175.009 176.117 0.029 0.000 1.101 5 I CA -1.089 60.236 61.300 0.042 0.000 1.031 5 I CB 2.195 40.218 38.000 0.038 0.000 1.231 5 I HN 0.185 nan 8.210 nan 0.000 0.427 6 V N 5.578 125.498 119.914 0.010 0.000 2.465 6 V HA 0.348 4.469 4.120 0.001 0.000 0.279 6 V C 0.284 176.390 176.094 0.021 0.000 1.045 6 V CA -0.320 61.982 62.300 0.004 0.000 0.938 6 V CB 1.335 33.134 31.823 -0.041 0.000 0.986 6 V HN 0.504 nan 8.190 nan 0.000 0.467 7 I N 4.629 125.214 120.570 0.025 0.000 2.269 7 I HA 0.328 4.498 4.170 0.001 0.000 0.293 7 I C 0.886 177.001 176.117 -0.003 0.000 1.106 7 I CA -0.103 61.191 61.300 -0.010 0.000 1.248 7 I CB 1.025 39.002 38.000 -0.039 0.000 1.444 7 I HN 0.680 nan 8.210 nan 0.000 0.497 8 A N 6.215 129.040 122.820 0.009 0.000 3.118 8 A HA 0.348 4.668 4.320 0.001 0.000 0.256 8 A C 0.147 177.678 177.584 -0.089 0.000 1.667 8 A CA 0.028 52.069 52.037 0.007 0.000 1.338 8 A CB -0.553 18.500 19.000 0.087 0.000 1.127 8 A HN 0.781 nan 8.150 nan 0.000 0.634 9 N N 0.065 118.656 118.700 -0.182 0.000 3.441 9 N HA 0.414 5.155 4.740 0.001 0.000 0.313 9 N C -1.016 174.187 175.510 -0.513 0.000 1.526 9 N CA -0.377 52.435 53.050 -0.398 0.000 0.871 9 N CB 1.291 39.587 38.487 -0.320 0.000 1.779 9 N HN 0.671 nan 8.380 nan 0.000 0.529 10 R N -0.859 119.275 120.500 -0.611 0.000 2.810 10 R HA 0.706 5.046 4.340 0.001 0.000 0.266 10 R C 0.466 176.430 176.300 -0.561 0.000 1.061 10 R CA 0.021 55.776 56.100 -0.575 0.000 0.943 10 R CB 0.320 30.123 30.300 -0.829 0.000 1.237 10 R HN 0.697 nan 8.270 nan 0.000 0.459 11 G N 1.064 109.508 108.800 -0.594 0.000 2.552 11 G HA2 -0.444 3.516 3.960 0.001 0.000 0.265 11 G HA3 -0.444 3.516 3.960 0.001 0.000 0.265 11 G C 0.607 175.089 174.900 -0.698 0.000 1.234 11 G CA 0.966 45.481 45.100 -0.976 0.000 0.944 11 G HN 1.015 nan 8.290 nan 0.000 0.568 12 E N -0.349 119.631 120.200 -0.366 0.000 2.106 12 E HA 0.061 4.411 4.350 0.001 0.000 0.192 12 E C 2.455 178.945 176.600 -0.184 0.000 0.984 12 E CA 2.021 58.358 56.400 -0.105 0.000 0.806 12 E CB -0.143 29.562 29.700 0.008 0.000 0.750 12 E HN 0.762 nan 8.360 nan 0.000 0.458 13 I N 0.824 121.239 120.570 -0.258 0.000 2.439 13 I HA -0.010 4.161 4.170 0.001 0.000 0.251 13 I C 2.202 178.076 176.117 -0.405 0.000 1.139 13 I CA 1.165 62.275 61.300 -0.317 0.000 1.438 13 I CB -0.634 36.973 38.000 -0.655 0.000 1.085 13 I HN 0.239 nan 8.210 nan 0.000 0.427 14 A N 0.001 122.498 122.820 -0.537 0.000 1.902 14 A HA -0.191 4.130 4.320 0.001 0.000 0.217 14 A C 2.224 179.488 177.584 -0.534 0.000 1.181 14 A CA 1.852 53.461 52.037 -0.714 0.000 0.623 14 A CB -1.064 17.133 19.000 -1.337 0.000 0.818 14 A HN 0.463 nan 8.150 nan 0.000 0.443 15 L N -0.260 120.737 121.223 -0.376 0.000 2.056 15 L HA -0.100 4.240 4.340 0.001 0.000 0.207 15 L C 2.398 179.204 176.870 -0.107 0.000 1.078 15 L CA 2.388 57.148 54.840 -0.133 0.000 0.749 15 L CB -0.653 41.371 42.059 -0.059 0.000 0.901 15 L HN 0.426 nan 8.230 nan 0.000 0.433 16 R N 0.143 120.567 120.500 -0.127 0.000 2.094 16 R HA -0.175 4.165 4.340 0.001 0.000 0.239 16 R C 2.143 178.381 176.300 -0.103 0.000 1.137 16 R CA 2.377 58.432 56.100 -0.074 0.000 0.943 16 R CB -0.847 29.441 30.300 -0.021 0.000 0.850 16 R HN 0.516 nan 8.270 nan 0.000 0.433 17 I N 0.180 120.631 120.570 -0.199 0.000 2.252 17 I HA -0.236 3.934 4.170 0.001 0.000 0.245 17 I C 2.355 178.395 176.117 -0.130 0.000 1.102 17 I CA 1.146 62.305 61.300 -0.235 0.000 1.385 17 I CB -0.339 37.402 38.000 -0.431 0.000 1.064 17 I HN 0.232 nan 8.210 nan 0.000 0.414 18 L N 0.904 122.066 121.223 -0.101 0.000 2.013 18 L HA -0.264 4.077 4.340 0.001 0.000 0.212 18 L C 2.800 179.660 176.870 -0.018 0.000 1.073 18 L CA 1.742 56.565 54.840 -0.028 0.000 0.753 18 L CB -0.294 41.781 42.059 0.026 0.000 0.890 18 L HN 0.097 nan 8.230 nan 0.000 0.432 19 R N -0.455 120.033 120.500 -0.021 0.000 2.081 19 R HA -0.147 4.194 4.340 0.001 0.000 0.235 19 R C 2.363 178.659 176.300 -0.006 0.000 1.131 19 R CA 1.338 57.434 56.100 -0.006 0.000 0.960 19 R CB -0.657 29.643 30.300 -0.001 0.000 0.856 19 R HN 0.565 nan 8.270 nan 0.000 0.436 20 A N 0.682 123.492 122.820 -0.016 0.000 1.883 20 A HA -0.219 4.102 4.320 0.001 0.000 0.217 20 A C 2.419 179.999 177.584 -0.007 0.000 1.186 20 A CA 1.644 53.674 52.037 -0.011 0.000 0.624 20 A CB -0.973 18.014 19.000 -0.021 0.000 0.822 20 A HN 0.477 nan 8.150 nan 0.000 0.444 21 C N -0.744 118.549 119.300 -0.011 0.000 2.413 21 C HA -0.113 4.348 4.460 0.001 0.000 0.276 21 C C 2.748 177.740 174.990 0.003 0.000 1.236 21 C CA 1.427 60.444 59.018 -0.001 0.000 1.735 21 C CB -1.102 26.637 27.740 -0.001 0.000 2.031 21 C HN 0.630 nan 8.230 nan 0.000 0.474 22 K N 0.503 120.904 120.400 0.002 0.000 2.057 22 K HA -0.168 4.152 4.320 0.001 0.000 0.207 22 K C 1.924 178.528 176.600 0.005 0.000 1.049 22 K CA 1.451 57.741 56.287 0.005 0.000 0.931 22 K CB -0.249 32.255 32.500 0.006 0.000 0.714 22 K HN 0.599 nan 8.250 nan 0.000 0.440 23 E N 0.621 120.824 120.200 0.005 0.000 2.118 23 E HA -0.163 4.187 4.350 0.001 0.000 0.195 23 E C 1.709 178.312 176.600 0.005 0.000 0.992 23 E CA 0.936 57.339 56.400 0.006 0.000 0.804 23 E CB -0.001 29.703 29.700 0.006 0.000 0.741 23 E HN 0.262 nan 8.360 nan 0.000 0.458 24 L N -0.635 120.590 121.223 0.004 0.000 2.591 24 L HA 0.145 4.485 4.340 0.001 0.000 0.228 24 L C 1.257 178.130 176.870 0.005 0.000 1.133 24 L CA 0.292 55.135 54.840 0.004 0.000 0.880 24 L CB 0.146 42.208 42.059 0.004 0.000 1.033 24 L HN 0.279 nan 8.230 nan 0.000 0.450 25 G N 1.133 109.937 108.800 0.006 0.000 2.147 25 G HA2 -0.280 3.680 3.960 0.001 0.000 0.244 25 G HA3 -0.280 3.680 3.960 0.001 0.000 0.244 25 G C 0.135 175.040 174.900 0.008 0.000 1.005 25 G CA -0.200 44.904 45.100 0.006 0.000 0.713 25 G HN 0.296 nan 8.290 nan 0.000 0.515 26 I N 0.752 121.327 120.570 0.009 0.000 2.371 26 I HA 0.255 4.426 4.170 0.001 0.000 0.290 26 I C 0.893 177.018 176.117 0.014 0.000 1.028 26 I CA -0.530 60.777 61.300 0.012 0.000 1.345 26 I CB 0.949 38.957 38.000 0.013 0.000 1.407 26 I HN -0.000 nan 8.210 nan 0.000 0.501 27 K N 4.193 124.603 120.400 0.017 0.000 2.295 27 K HA 0.259 4.579 4.320 0.001 0.000 0.270 27 K C 0.087 176.700 176.600 0.022 0.000 1.011 27 K CA -0.216 56.082 56.287 0.018 0.000 0.953 27 K CB 0.613 33.125 32.500 0.020 0.000 0.956 27 K HN 0.666 nan 8.250 nan 0.000 0.477 28 T N -1.916 112.650 114.554 0.021 0.000 2.856 28 T HA 0.502 4.853 4.350 0.001 0.000 0.283 28 T C -0.432 174.285 174.700 0.028 0.000 1.008 28 T CA -0.970 61.146 62.100 0.026 0.000 0.997 28 T CB 1.243 70.128 68.868 0.029 0.000 0.992 28 T HN 0.142 nan 8.240 nan 0.000 0.454 29 V N 2.083 122.017 119.914 0.034 0.000 2.407 29 V HA 0.695 4.815 4.120 0.001 0.000 0.291 29 V C 0.323 176.449 176.094 0.053 0.000 1.018 29 V CA -1.070 61.251 62.300 0.034 0.000 0.842 29 V CB 1.085 32.924 31.823 0.027 0.000 0.996 29 V HN 1.251 nan 8.190 nan 0.000 0.426 30 A N 5.381 128.234 122.820 0.056 0.000 2.316 30 A HA 0.685 5.005 4.320 0.001 0.000 0.311 30 A C -0.017 177.642 177.584 0.126 0.000 1.339 30 A CA -0.436 51.656 52.037 0.093 0.000 0.960 30 A CB 0.522 19.474 19.000 -0.080 0.000 1.152 30 A HN 1.212 nan 8.150 nan 0.000 0.547 31 V N 2.271 122.252 119.914 0.111 0.000 2.546 31 V HA 0.791 4.912 4.120 0.001 0.000 0.284 31 V C -0.330 175.833 176.094 0.115 0.000 1.050 31 V CA -0.286 62.029 62.300 0.026 0.000 0.981 31 V CB 0.283 32.081 31.823 -0.042 0.000 0.990 31 V HN 1.088 nan 8.190 nan 0.000 0.474 32 H N 1.390 120.426 119.070 -0.056 0.000 3.016 32 H HA 0.790 5.347 4.556 0.001 0.000 0.362 32 H C -0.166 175.019 175.328 -0.238 0.000 1.233 32 H CA -0.184 55.839 56.048 -0.042 0.000 1.124 32 H CB 1.123 30.904 29.762 0.031 0.000 1.850 32 H HN 0.916 nan 8.280 nan 0.000 0.549 33 S N 0.515 116.078 115.700 -0.228 0.000 2.624 33 S HA 0.104 4.574 4.470 0.001 0.000 0.263 33 S C 1.247 175.910 174.600 0.105 0.000 1.287 33 S CA -0.128 57.960 58.200 -0.185 0.000 0.990 33 S CB 0.950 64.094 63.200 -0.095 0.000 0.950 33 S HN 1.023 nan 8.310 nan 0.000 0.561 34 S N 0.744 116.461 115.700 0.029 0.000 2.419 34 S HA -0.070 4.400 4.470 0.001 0.000 0.233 34 S C 1.752 176.436 174.600 0.140 0.000 1.016 34 S CA 0.631 58.883 58.200 0.087 0.000 0.974 34 S CB -1.051 62.154 63.200 0.009 0.000 0.786 34 S HN 1.138 nan 8.310 nan 0.000 0.492 35 A N 0.819 123.734 122.820 0.158 0.000 2.206 35 A HA 0.153 4.474 4.320 0.001 0.000 0.211 35 A C 1.219 178.985 177.584 0.304 0.000 1.158 35 A CA 0.785 52.965 52.037 0.239 0.000 0.761 35 A CB -0.106 19.077 19.000 0.304 0.000 0.801 35 A HN 0.398 nan 8.150 nan 0.000 0.473 36 D N -1.377 119.202 120.400 0.298 0.000 2.501 36 D HA 0.131 4.771 4.640 0.001 0.000 0.224 36 D C 1.448 177.798 176.300 0.082 0.000 1.202 36 D CA -0.106 54.057 54.000 0.271 0.000 0.829 36 D CB 0.080 41.070 40.800 0.317 0.000 1.023 36 D HN 0.401 nan 8.370 nan 0.000 0.499 37 R N 0.588 121.105 120.500 0.030 0.000 2.120 37 R HA -0.085 4.256 4.340 0.001 0.000 0.234 37 R C 0.154 176.378 176.300 -0.126 0.000 1.123 37 R CA 1.176 57.150 56.100 -0.210 0.000 0.975 37 R CB 0.314 30.603 30.300 -0.018 0.000 0.866 37 R HN -0.072 nan 8.270 nan 0.000 0.446 38 D N 0.212 120.655 120.400 0.071 0.000 2.463 38 D HA 0.083 4.724 4.640 0.001 0.000 0.224 38 D C -0.220 176.268 176.300 0.314 0.000 1.174 38 D CA -0.052 54.061 54.000 0.188 0.000 0.829 38 D CB 0.212 41.178 40.800 0.276 0.000 0.993 38 D HN 0.205 nan 8.370 nan 0.000 0.497 39 L N 1.232 122.572 121.223 0.196 0.000 2.525 39 L HA -0.009 4.332 4.340 0.001 0.000 0.278 39 L C 2.072 178.998 176.870 0.093 0.000 1.218 39 L CA 0.119 55.058 54.840 0.165 0.000 0.878 39 L CB 1.004 43.138 42.059 0.124 0.000 1.127 39 L HN -0.107 nan 8.230 nan 0.000 0.492 40 K N 2.303 122.789 120.400 0.144 0.000 2.044 40 K HA -0.251 4.069 4.320 0.001 0.000 0.210 40 K C 2.054 178.672 176.600 0.030 0.000 1.049 40 K CA 2.018 58.353 56.287 0.079 0.000 0.927 40 K CB -0.096 32.466 32.500 0.103 0.000 0.713 40 K HN 0.827 nan 8.250 nan 0.000 0.443 41 H N -0.421 118.628 119.070 -0.035 0.000 2.428 41 H HA -0.038 4.518 4.556 0.001 0.000 0.296 41 H C 1.898 177.199 175.328 -0.045 0.000 1.062 41 H CA 1.198 57.216 56.048 -0.051 0.000 1.350 41 H CB -0.561 29.154 29.762 -0.078 0.000 1.403 41 H HN 0.030 nan 8.280 nan 0.000 0.533 42 V N 1.971 121.424 119.914 -0.769 0.000 2.295 42 V HA -0.242 3.878 4.120 0.001 0.000 0.246 42 V C 3.104 179.041 176.094 -0.261 0.000 1.049 42 V CA 1.640 63.606 62.300 -0.556 0.000 1.024 42 V CB -0.645 30.867 31.823 -0.520 0.000 0.648 42 V HN 0.291 nan 8.190 nan 0.000 0.447 43 L N -0.883 120.232 121.223 -0.180 0.000 2.201 43 L HA -0.117 4.224 4.340 0.001 0.000 0.212 43 L C 2.137 178.956 176.870 -0.086 0.000 1.105 43 L CA 1.225 55.998 54.840 -0.113 0.000 0.775 43 L CB -0.372 41.627 42.059 -0.099 0.000 0.913 43 L HN 0.319 nan 8.230 nan 0.000 0.440 44 L N -0.781 120.395 121.223 -0.078 0.000 2.529 44 L HA 0.213 4.554 4.340 0.001 0.000 0.223 44 L C 1.355 178.205 176.870 -0.033 0.000 1.113 44 L CA -0.465 54.349 54.840 -0.042 0.000 0.861 44 L CB -0.111 41.938 42.059 -0.017 0.000 1.012 44 L HN 0.104 nan 8.230 nan 0.000 0.461 45 A N -0.132 122.656 122.820 -0.053 0.000 2.332 45 A HA 0.071 4.391 4.320 0.001 0.000 0.258 45 A C 0.674 178.248 177.584 -0.018 0.000 1.087 45 A CA -0.309 51.712 52.037 -0.027 0.000 0.802 45 A CB 0.292 19.268 19.000 -0.040 0.000 1.042 45 A HN 0.126 nan 8.150 nan 0.000 0.489 46 D N 0.161 120.559 120.400 -0.002 0.000 2.123 46 D HA -0.007 4.633 4.640 0.001 0.000 0.200 46 D C 0.229 176.530 176.300 0.003 0.000 0.976 46 D CA 1.404 55.405 54.000 0.001 0.000 0.831 46 D CB 0.277 41.082 40.800 0.008 0.000 0.974 46 D HN 0.722 nan 8.370 nan 0.000 0.469 47 E N -0.684 119.520 120.200 0.007 0.000 2.340 47 E HA 0.402 4.753 4.350 0.001 0.000 0.273 47 E C -0.708 175.903 176.600 0.019 0.000 0.891 47 E CA -0.572 55.836 56.400 0.013 0.000 0.757 47 E CB 2.554 32.265 29.700 0.018 0.000 1.231 47 E HN -0.041 nan 8.360 nan 0.000 0.439 48 T N -1.825 112.749 114.554 0.034 0.000 2.893 48 T HA 0.702 5.053 4.350 0.001 0.000 0.291 48 T C -0.795 173.949 174.700 0.074 0.000 1.028 48 T CA -0.720 61.429 62.100 0.082 0.000 0.995 48 T CB 1.309 70.241 68.868 0.107 0.000 1.051 48 T HN 0.146 nan 8.240 nan 0.000 0.470 49 V N 1.527 121.464 119.914 0.039 0.000 2.569 49 V HA 0.427 4.548 4.120 0.001 0.000 0.301 49 V C 0.121 175.986 176.094 -0.381 0.000 1.044 49 V CA -1.199 61.045 62.300 -0.093 0.000 0.874 49 V CB 1.504 33.279 31.823 -0.080 0.000 1.002 49 V HN 1.301 nan 8.190 nan 0.000 0.424 50 C N 6.878 125.912 119.300 -0.442 0.000 2.464 50 C HA 0.454 4.914 4.460 0.001 0.000 0.370 50 C C 1.640 176.403 174.990 -0.378 0.000 1.267 50 C CA -0.281 58.340 59.018 -0.662 0.000 1.781 50 C CB -1.267 26.262 27.740 -0.351 0.000 2.431 50 C HN 0.883 nan 8.230 nan 0.000 0.556 51 I N 4.420 124.749 120.570 -0.403 0.000 3.883 51 I HA 0.531 4.701 4.170 0.001 0.000 0.326 51 I C 0.854 176.818 176.117 -0.254 0.000 1.283 51 I CA 0.450 61.578 61.300 -0.286 0.000 1.161 51 I CB -0.591 37.233 38.000 -0.293 0.000 1.012 51 I HN 0.816 nan 8.210 nan 0.000 0.421 52 G N 1.344 109.994 108.800 -0.251 0.000 2.369 52 G HA2 0.145 4.105 3.960 0.001 0.000 0.293 52 G HA3 0.145 4.105 3.960 0.001 0.000 0.293 52 G C -3.291 171.506 174.900 -0.171 0.000 1.301 52 G CA -0.842 44.147 45.100 -0.186 0.000 0.913 52 G HN -0.085 nan 8.290 nan 0.000 0.540 53 P HA 0.394 nan 4.420 nan 0.000 0.272 53 P C 1.198 178.404 177.300 -0.156 0.000 1.254 53 P CA 0.783 63.806 63.100 -0.129 0.000 0.795 53 P CB 0.534 32.167 31.700 -0.111 0.000 1.022 54 A N 0.488 123.168 122.820 -0.233 0.000 1.908 54 A HA -0.025 4.295 4.320 0.001 0.000 0.218 54 A C -1.153 176.305 177.584 -0.209 0.000 1.181 54 A CA 1.383 53.213 52.037 -0.346 0.000 0.627 54 A CB -2.544 15.792 19.000 -1.107 0.000 0.818 54 A HN 0.533 nan 8.150 nan 0.000 0.445 55 P HA 0.159 nan 4.420 nan 0.000 0.268 55 P C 0.588 177.953 177.300 0.108 0.000 1.204 55 P CA 0.338 63.421 63.100 -0.028 0.000 0.768 55 P CB 0.926 32.609 31.700 -0.029 0.000 0.842 56 S N 1.818 117.687 115.700 0.282 0.000 2.383 56 S HA -0.143 4.327 4.470 0.001 0.000 0.229 56 S C 1.895 176.599 174.600 0.174 0.000 1.030 56 S CA 1.104 59.531 58.200 0.378 0.000 1.002 56 S CB -0.768 62.803 63.200 0.618 0.000 0.829 56 S HN 0.426 nan 8.310 nan 0.000 0.467 57 V N 1.915 121.904 119.914 0.125 0.000 2.453 57 V HA -0.176 3.944 4.120 0.001 0.000 0.252 57 V C 1.744 177.840 176.094 0.004 0.000 1.068 57 V CA 1.659 63.995 62.300 0.061 0.000 1.070 57 V CB -0.346 31.507 31.823 0.049 0.000 0.664 57 V HN 0.334 nan 8.190 nan 0.000 0.461 58 K N 0.042 120.429 120.400 -0.022 0.000 2.379 58 K HA 0.157 4.478 4.320 0.001 0.000 0.194 58 K C 1.649 178.169 176.600 -0.133 0.000 1.031 58 K CA 1.025 57.271 56.287 -0.069 0.000 1.037 58 K CB 0.454 32.910 32.500 -0.074 0.000 0.824 58 K HN 0.752 nan 8.250 nan 0.000 0.516 59 S N -1.158 114.434 115.700 -0.181 0.000 3.799 59 S HA 0.051 4.521 4.470 0.001 0.000 0.170 59 S C 1.622 175.966 174.600 -0.428 0.000 0.840 59 S CA -0.311 57.660 58.200 -0.383 0.000 1.025 59 S CB -0.572 62.274 63.200 -0.589 0.000 1.455 59 S HN 0.029 nan 8.310 nan 0.000 0.804 60 Y N 2.285 122.443 120.300 -0.236 0.000 2.497 60 Y HA 0.363 4.914 4.550 0.001 0.000 0.292 60 Y C 1.784 177.494 175.900 -0.316 0.000 1.137 60 Y CA 0.489 58.311 58.100 -0.462 0.000 1.285 60 Y CB -0.491 37.296 38.460 -1.122 0.000 0.991 60 Y HN 0.237 nan 8.280 nan 0.000 0.556 61 L N -0.364 120.847 121.223 -0.020 0.000 2.728 61 L HA 0.136 4.477 4.340 0.001 0.000 0.238 61 L C 0.528 177.349 176.870 -0.082 0.000 1.143 61 L CA -0.126 54.704 54.840 -0.016 0.000 0.937 61 L CB -0.026 42.091 42.059 0.097 0.000 1.225 61 L HN -0.011 nan 8.230 nan 0.000 0.507 62 N N 1.471 120.103 118.700 -0.112 0.000 2.555 62 N HA 0.164 4.905 4.740 0.001 0.000 0.244 62 N C 1.027 176.482 175.510 -0.093 0.000 1.114 62 N CA 0.125 53.119 53.050 -0.093 0.000 0.963 62 N CB 0.516 38.940 38.487 -0.106 0.000 1.276 62 N HN 0.190 nan 8.380 nan 0.000 0.510 63 I N 3.769 124.303 120.570 -0.061 0.000 2.127 63 I HA -0.192 3.979 4.170 0.001 0.000 0.241 63 I C -0.667 175.489 176.117 0.066 0.000 1.075 63 I CA 1.095 62.405 61.300 0.017 0.000 1.334 63 I CB -1.034 37.033 38.000 0.112 0.000 1.040 63 I HN 0.389 nan 8.210 nan 0.000 0.405 64 P HA -0.154 nan 4.420 nan 0.000 0.216 64 P C 1.435 178.740 177.300 0.009 0.000 1.150 64 P CA 1.748 64.868 63.100 0.034 0.000 0.837 64 P CB -0.054 31.658 31.700 0.020 0.000 0.786 65 A N -0.656 122.148 122.820 -0.026 0.000 1.902 65 A HA -0.167 4.153 4.320 0.001 0.000 0.217 65 A C 2.215 179.765 177.584 -0.057 0.000 1.181 65 A CA 1.425 53.428 52.037 -0.056 0.000 0.623 65 A CB -1.563 17.379 19.000 -0.098 0.000 0.818 65 A HN 0.116 nan 8.150 nan 0.000 0.443 66 I N -0.075 120.466 120.570 -0.048 0.000 2.202 66 I HA -0.210 3.960 4.170 0.001 0.000 0.242 66 I C 2.199 178.299 176.117 -0.028 0.000 1.091 66 I CA 0.816 62.095 61.300 -0.035 0.000 1.368 66 I CB -0.278 37.721 38.000 -0.001 0.000 1.058 66 I HN 0.231 nan 8.210 nan 0.000 0.410 67 I N 0.310 120.891 120.570 0.017 0.000 2.163 67 I HA -0.320 3.851 4.170 0.001 0.000 0.243 67 I C 2.804 178.931 176.117 0.017 0.000 1.085 67 I CA 1.625 62.916 61.300 -0.016 0.000 1.347 67 I CB -1.349 36.700 38.000 0.081 0.000 1.044 67 I HN 0.259 nan 8.210 nan 0.000 0.408 68 S N 0.684 116.401 115.700 0.027 0.000 2.359 68 S HA -0.184 4.287 4.470 0.001 0.000 0.224 68 S C 2.247 176.859 174.600 0.021 0.000 1.035 68 S CA 1.674 59.894 58.200 0.033 0.000 1.018 68 S CB -0.190 63.016 63.200 0.010 0.000 0.876 68 S HN 0.488 nan 8.310 nan 0.000 0.448 69 A N 1.339 124.149 122.820 -0.017 0.000 1.902 69 A HA 0.171 4.492 4.320 0.001 0.000 0.217 69 A C 2.491 180.071 177.584 -0.007 0.000 1.181 69 A CA 1.952 53.975 52.037 -0.025 0.000 0.623 69 A CB -1.425 17.541 19.000 -0.055 0.000 0.818 69 A HN 0.805 nan 8.150 nan 0.000 0.443 70 A N -0.303 122.485 122.820 -0.054 0.000 1.933 70 A HA -0.165 4.155 4.320 0.001 0.000 0.218 70 A C 1.921 179.632 177.584 0.211 0.000 1.175 70 A CA 1.703 53.693 52.037 -0.079 0.000 0.628 70 A CB -0.484 18.149 19.000 -0.611 0.000 0.814 70 A HN 0.652 nan 8.150 nan 0.000 0.444 71 E N -0.375 119.990 120.200 0.275 0.000 2.028 71 E HA -0.122 4.228 4.350 0.001 0.000 0.191 71 E C 1.838 178.524 176.600 0.144 0.000 0.988 71 E CA 1.290 57.865 56.400 0.291 0.000 0.799 71 E CB -0.273 29.561 29.700 0.223 0.000 0.755 71 E HN 0.676 nan 8.360 nan 0.000 0.447 72 I N 1.207 121.831 120.570 0.090 0.000 2.394 72 I HA -0.203 3.968 4.170 0.001 0.000 0.251 72 I C 2.437 178.584 176.117 0.050 0.000 1.136 72 I CA 1.373 62.706 61.300 0.053 0.000 1.425 72 I CB -0.268 37.750 38.000 0.030 0.000 1.079 72 I HN 0.206 nan 8.210 nan 0.000 0.425 73 T N -2.166 112.423 114.554 0.060 0.000 3.129 73 T HA 0.227 4.577 4.350 0.001 0.000 0.251 73 T C 1.542 176.281 174.700 0.066 0.000 1.117 73 T CA 0.366 62.498 62.100 0.052 0.000 1.034 73 T CB 0.146 69.041 68.868 0.044 0.000 0.968 73 T HN 0.497 nan 8.240 nan 0.000 0.526 74 G N 1.351 110.206 108.800 0.092 0.000 2.176 74 G HA2 -0.029 3.931 3.960 0.001 0.000 0.252 74 G HA3 -0.029 3.931 3.960 0.001 0.000 0.252 74 G C 0.282 175.251 174.900 0.115 0.000 1.024 74 G CA -0.061 45.091 45.100 0.087 0.000 0.755 74 G HN 1.143 nan 8.290 nan 0.000 0.507 75 A N -0.888 122.041 122.820 0.182 0.000 2.346 75 A HA 0.738 5.059 4.320 0.001 0.000 0.252 75 A C 1.667 179.432 177.584 0.302 0.000 1.089 75 A CA 0.730 52.887 52.037 0.199 0.000 0.797 75 A CB 0.869 19.962 19.000 0.154 0.000 1.047 75 A HN 1.623 nan 8.150 nan 0.000 0.494 76 V N -3.007 117.047 119.914 0.233 0.000 3.556 76 V HA 0.645 4.765 4.120 0.001 0.000 0.287 76 V C 0.499 176.775 176.094 0.304 0.000 1.422 76 V CA 0.772 63.205 62.300 0.223 0.000 1.038 76 V CB -0.923 30.949 31.823 0.082 0.000 0.850 76 V HN 1.730 nan 8.190 nan 0.000 0.437 77 A N 0.140 123.108 122.820 0.246 0.000 2.606 77 A HA 0.873 5.193 4.320 0.001 0.000 0.293 77 A C -1.377 176.221 177.584 0.022 0.000 1.082 77 A CA -0.612 51.506 52.037 0.135 0.000 0.685 77 A CB 1.688 20.720 19.000 0.053 0.000 1.284 77 A HN 0.291 nan 8.150 nan 0.000 0.408 78 I N 1.802 122.351 120.570 -0.035 0.000 2.466 78 I HA 0.308 4.478 4.170 0.001 0.000 0.289 78 I C -0.861 175.207 176.117 -0.082 0.000 1.026 78 I CA -0.523 60.749 61.300 -0.046 0.000 1.078 78 I CB 1.941 39.912 38.000 -0.049 0.000 1.249 78 I HN 0.734 nan 8.210 nan 0.000 0.429 79 H N 8.645 127.644 119.070 -0.119 0.000 2.594 79 H HA 0.344 4.900 4.556 0.001 0.000 0.304 79 H C -2.088 173.176 175.328 -0.106 0.000 1.068 79 H CA -2.277 53.667 56.048 -0.173 0.000 1.308 79 H CB 1.987 31.661 29.762 -0.146 0.000 1.409 79 H HN 0.321 nan 8.280 nan 0.000 0.460 80 P HA 0.099 nan 4.420 nan 0.000 0.249 80 P C 0.843 178.249 177.300 0.176 0.000 1.229 80 P CA 0.935 64.165 63.100 0.217 0.000 0.788 80 P CB 0.722 32.602 31.700 0.300 0.000 1.072 81 G N 1.018 109.979 108.800 0.269 0.000 2.574 81 G HA2 -0.253 3.708 3.960 0.001 0.000 0.286 81 G HA3 -0.253 3.708 3.960 0.001 0.000 0.286 81 G C -0.544 174.398 174.900 0.070 0.000 1.212 81 G CA 0.509 45.597 45.100 -0.021 0.000 0.979 81 G HN 0.449 nan 8.290 nan 0.000 0.557 82 Y N -1.334 119.011 120.300 0.075 0.000 2.630 82 Y HA 0.714 5.264 4.550 0.001 0.000 0.337 82 Y C 1.026 176.948 175.900 0.037 0.000 1.051 82 Y CA -0.424 57.713 58.100 0.061 0.000 1.121 82 Y CB 0.800 39.281 38.460 0.035 0.000 1.299 82 Y HN 2.568 nan 8.280 nan 0.000 0.498 83 G N 1.123 110.093 108.800 0.283 0.000 2.569 83 G HA2 -0.265 3.695 3.960 0.001 0.000 0.259 83 G HA3 -0.265 3.695 3.960 0.001 0.000 0.259 83 G C 0.162 175.097 174.900 0.058 0.000 1.263 83 G CA 0.487 45.614 45.100 0.044 0.000 0.928 83 G HN 1.301 nan 8.290 nan 0.000 0.572 84 F N -1.775 118.208 119.950 0.056 0.000 2.923 84 F HA -0.327 4.201 4.527 0.001 0.000 0.242 84 F C 2.282 178.090 175.800 0.013 0.000 1.463 84 F CA 2.434 60.445 58.000 0.019 0.000 1.856 84 F CB -1.151 37.831 39.000 -0.031 0.000 0.517 84 F HN 0.437 nan 8.300 nan 0.000 0.325 85 L N 0.339 121.685 121.223 0.205 0.000 2.700 85 L HA 0.137 4.478 4.340 0.001 0.000 0.234 85 L C 1.823 178.869 176.870 0.293 0.000 1.156 85 L CA 0.599 55.491 54.840 0.087 0.000 0.946 85 L CB -0.184 41.635 42.059 -0.399 0.000 1.216 85 L HN 0.507 nan 8.230 nan 0.000 0.493 86 S N -0.666 115.207 115.700 0.290 0.000 2.423 86 S HA -0.129 4.341 4.470 0.001 0.000 0.231 86 S C 1.242 176.034 174.600 0.319 0.000 1.014 86 S CA 0.869 59.273 58.200 0.339 0.000 0.965 86 S CB -0.092 63.256 63.200 0.247 0.000 0.785 86 S HN 0.537 nan 8.310 nan 0.000 0.495 87 E N 1.054 121.389 120.200 0.226 0.000 2.651 87 E HA 0.223 4.574 4.350 0.001 0.000 0.208 87 E C -0.612 176.068 176.600 0.134 0.000 0.997 87 E CA -0.315 56.186 56.400 0.168 0.000 1.020 87 E CB 0.216 29.988 29.700 0.119 0.000 1.052 87 E HN 0.334 nan 8.360 nan 0.000 0.465 88 N N 1.254 120.054 118.700 0.168 0.000 2.469 88 N HA 0.123 4.863 4.740 0.001 0.000 0.239 88 N C 0.589 176.153 175.510 0.089 0.000 1.053 88 N CA 0.039 53.171 53.050 0.136 0.000 0.937 88 N CB 1.230 39.814 38.487 0.162 0.000 1.163 88 N HN 0.107 nan 8.380 nan 0.000 0.509 89 A N 4.377 127.214 122.820 0.029 0.000 1.933 89 A HA -0.174 4.147 4.320 0.001 0.000 0.218 89 A C 1.848 179.390 177.584 -0.069 0.000 1.175 89 A CA 1.146 53.155 52.037 -0.047 0.000 0.628 89 A CB -0.215 18.770 19.000 -0.025 0.000 0.814 89 A HN 0.656 nan 8.150 nan 0.000 0.444 90 N N -0.878 117.823 118.700 0.001 0.000 2.120 90 N HA -0.143 4.598 4.740 0.001 0.000 0.188 90 N C 1.404 176.930 175.510 0.027 0.000 1.024 90 N CA 1.508 54.565 53.050 0.011 0.000 0.852 90 N CB -0.633 37.882 38.487 0.047 0.000 1.003 90 N HN 0.638 nan 8.380 nan 0.000 0.424 91 F N 1.347 121.240 119.950 -0.096 0.000 2.102 91 F HA -0.123 4.405 4.527 0.001 0.000 0.298 91 F C 2.178 177.827 175.800 -0.253 0.000 1.105 91 F CA 1.309 59.247 58.000 -0.103 0.000 1.239 91 F CB -0.115 38.867 39.000 -0.030 0.000 0.991 91 F HN 0.041 nan 8.300 nan 0.000 0.474 92 A N 0.049 122.481 122.820 -0.646 0.000 1.908 92 A HA -0.288 4.033 4.320 0.001 0.000 0.218 92 A C 2.160 179.342 177.584 -0.671 0.000 1.181 92 A CA 2.001 53.269 52.037 -1.282 0.000 0.627 92 A CB -1.098 17.101 19.000 -1.334 0.000 0.818 92 A HN 0.612 nan 8.150 nan 0.000 0.445 93 E N -1.020 118.954 120.200 -0.376 0.000 2.051 93 E HA -0.296 4.055 4.350 0.001 0.000 0.192 93 E C 2.211 178.711 176.600 -0.167 0.000 0.991 93 E CA 1.547 57.820 56.400 -0.212 0.000 0.799 93 E CB -0.130 29.495 29.700 -0.125 0.000 0.748 93 E HN 0.598 nan 8.360 nan 0.000 0.449 94 Q N 0.324 120.027 119.800 -0.162 0.000 2.079 94 Q HA -0.113 4.228 4.340 0.001 0.000 0.200 94 Q C 2.067 178.009 176.000 -0.095 0.000 0.974 94 Q CA 1.556 57.306 55.803 -0.089 0.000 0.840 94 Q CB -0.287 28.441 28.738 -0.016 0.000 0.898 94 Q HN 0.218 nan 8.270 nan 0.000 0.430 95 V N 1.026 120.785 119.914 -0.258 0.000 2.252 95 V HA -0.297 3.823 4.120 0.001 0.000 0.249 95 V C 2.149 178.281 176.094 0.064 0.000 1.056 95 V CA 2.404 64.613 62.300 -0.151 0.000 1.022 95 V CB -0.591 31.026 31.823 -0.343 0.000 0.641 95 V HN 0.470 nan 8.190 nan 0.000 0.445 96 E N -0.402 119.777 120.200 -0.035 0.000 2.072 96 E HA -0.200 4.151 4.350 0.001 0.000 0.191 96 E C 2.468 179.062 176.600 -0.009 0.000 0.985 96 E CA 0.970 57.368 56.400 -0.002 0.000 0.801 96 E CB -0.198 29.477 29.700 -0.043 0.000 0.750 96 E HN 0.520 nan 8.360 nan 0.000 0.452 97 R N 0.462 120.948 120.500 -0.023 0.000 2.120 97 R HA -0.041 4.300 4.340 0.001 0.000 0.234 97 R C 2.085 178.383 176.300 -0.003 0.000 1.123 97 R CA 1.104 57.193 56.100 -0.017 0.000 0.975 97 R CB -0.052 30.238 30.300 -0.018 0.000 0.866 97 R HN -0.027 nan 8.270 nan 0.000 0.446 98 S N -0.697 115.031 115.700 0.047 0.000 2.650 98 S HA 0.103 4.573 4.470 0.001 0.000 0.219 98 S C 1.032 175.557 174.600 -0.126 0.000 0.960 98 S CA 0.666 58.904 58.200 0.063 0.000 0.925 98 S CB 0.841 64.198 63.200 0.263 0.000 0.775 98 S HN 0.674 nan 8.310 nan 0.000 0.525 99 G N 0.793 109.515 108.800 -0.129 0.000 2.141 99 G HA2 -0.237 3.724 3.960 0.001 0.000 0.242 99 G HA3 -0.237 3.724 3.960 0.001 0.000 0.242 99 G C -0.096 174.597 174.900 -0.346 0.000 0.982 99 G CA -0.417 44.532 45.100 -0.251 0.000 0.662 99 G HN 0.432 nan 8.290 nan 0.000 0.527 100 F N 0.084 120.019 119.950 -0.026 0.000 2.399 100 F HA 0.690 5.217 4.527 0.001 0.000 0.328 100 F C 1.193 176.985 175.800 -0.013 0.000 1.084 100 F CA -1.238 56.752 58.000 -0.017 0.000 1.053 100 F CB 0.925 39.917 39.000 -0.014 0.000 1.209 100 F HN -0.055 nan 8.300 nan 0.000 0.502 101 I N 2.471 123.159 120.570 0.197 0.000 2.471 101 I HA 0.019 4.189 4.170 0.001 0.000 0.286 101 I C -0.473 175.717 176.117 0.122 0.000 1.079 101 I CA 0.022 61.388 61.300 0.111 0.000 1.398 101 I CB 0.362 38.392 38.000 0.049 0.000 1.403 101 I HN 0.423 nan 8.210 nan 0.000 0.530 102 F N 7.625 127.537 119.950 -0.063 0.000 2.405 102 F HA 0.453 4.981 4.527 0.001 0.000 0.355 102 F C 0.241 175.961 175.800 -0.134 0.000 1.121 102 F CA -0.626 57.300 58.000 -0.123 0.000 1.112 102 F CB 0.642 39.544 39.000 -0.162 0.000 1.126 102 F HN 0.265 nan 8.300 nan 0.000 0.481 103 I N 7.265 127.377 120.570 -0.764 0.000 2.270 103 I HA 0.389 4.559 4.170 0.001 0.000 0.300 103 I C 0.582 176.145 176.117 -0.923 0.000 1.186 103 I CA 0.400 61.271 61.300 -0.714 0.000 1.431 103 I CB -0.904 36.675 38.000 -0.701 0.000 1.485 103 I HN 0.796 nan 8.210 nan 0.000 0.650 104 G N 6.145 114.610 108.800 -0.557 0.000 2.325 104 G HA2 0.322 4.282 3.960 0.001 0.000 0.295 104 G HA3 0.322 4.282 3.960 0.001 0.000 0.295 104 G C -3.303 171.582 174.900 -0.025 0.000 1.274 104 G CA -0.688 44.254 45.100 -0.263 0.000 0.857 104 G HN 0.107 nan 8.290 nan 0.000 0.499 105 P HA 0.333 nan 4.420 nan 0.000 0.279 105 P C -0.507 176.792 177.300 -0.001 0.000 1.282 105 P CA -0.540 62.462 63.100 -0.163 0.000 0.788 105 P CB 0.544 32.039 31.700 -0.341 0.000 1.139 106 K N 0.013 120.371 120.400 -0.069 0.000 2.469 106 K HA 0.084 4.404 4.320 0.001 0.000 0.274 106 K C 1.520 178.079 176.600 -0.070 0.000 0.983 106 K CA 0.291 56.544 56.287 -0.057 0.000 0.974 106 K CB 0.051 32.520 32.500 -0.051 0.000 0.913 106 K HN 0.478 nan 8.250 nan 0.000 0.493 107 A N 3.610 126.359 122.820 -0.117 0.000 1.940 107 A HA -0.193 4.127 4.320 0.001 0.000 0.219 107 A C 1.733 179.282 177.584 -0.058 0.000 1.176 107 A CA 1.441 53.402 52.037 -0.126 0.000 0.631 107 A CB -0.171 18.737 19.000 -0.154 0.000 0.814 107 A HN 0.751 nan 8.150 nan 0.000 0.446 108 E N -0.491 119.685 120.200 -0.041 0.000 2.204 108 E HA -0.108 4.243 4.350 0.001 0.000 0.194 108 E C 2.061 178.663 176.600 0.004 0.000 0.989 108 E CA 1.564 57.954 56.400 -0.017 0.000 0.824 108 E CB -0.541 29.150 29.700 -0.015 0.000 0.756 108 E HN 0.666 nan 8.360 nan 0.000 0.477 109 T N 1.626 116.187 114.554 0.012 0.000 2.777 109 T HA -0.040 4.311 4.350 0.001 0.000 0.266 109 T C 2.148 176.891 174.700 0.071 0.000 1.040 109 T CA 0.645 62.778 62.100 0.055 0.000 1.141 109 T CB -0.138 68.770 68.868 0.067 0.000 0.868 109 T HN 0.116 nan 8.240 nan 0.000 0.444 110 I N 1.712 122.311 120.570 0.049 0.000 2.163 110 I HA -0.266 3.904 4.170 0.001 0.000 0.243 110 I C 2.748 178.888 176.117 0.038 0.000 1.085 110 I CA 1.542 62.876 61.300 0.057 0.000 1.347 110 I CB -0.440 37.581 38.000 0.035 0.000 1.044 110 I HN 0.279 nan 8.210 nan 0.000 0.408 111 R N 0.538 121.049 120.500 0.019 0.000 2.090 111 R HA -0.120 4.220 4.340 0.001 0.000 0.228 111 R C 2.284 178.594 176.300 0.016 0.000 1.110 111 R CA 0.921 57.030 56.100 0.014 0.000 0.973 111 R CB -0.805 29.498 30.300 0.006 0.000 0.869 111 R HN 0.222 nan 8.270 nan 0.000 0.440 112 L N 1.014 122.249 121.223 0.021 0.000 1.990 112 L HA -0.130 4.211 4.340 0.001 0.000 0.213 112 L C 2.024 178.907 176.870 0.023 0.000 1.072 112 L CA 1.917 56.769 54.840 0.020 0.000 0.755 112 L CB -0.239 41.836 42.059 0.027 0.000 0.889 112 L HN 0.141 nan 8.230 nan 0.000 0.432 113 M N -0.942 118.681 119.600 0.038 0.000 2.558 113 M HA 0.142 4.622 4.480 0.001 0.000 0.255 113 M C 2.126 178.444 176.300 0.029 0.000 1.113 113 M CA 0.966 56.290 55.300 0.041 0.000 1.097 113 M CB -1.835 30.789 32.600 0.039 0.000 1.426 113 M HN 0.394 nan 8.290 nan 0.000 0.488 114 G N 0.079 108.893 108.800 0.023 0.000 2.448 114 G HA2 -0.140 3.820 3.960 0.001 0.000 0.218 114 G HA3 -0.140 3.820 3.960 0.001 0.000 0.218 114 G C 0.149 175.041 174.900 -0.013 0.000 1.135 114 G CA 0.183 45.288 45.100 0.009 0.000 0.784 114 G HN 0.469 nan 8.290 nan 0.000 0.543 115 D N -0.876 119.518 120.400 -0.010 0.000 2.329 115 D HA 0.354 4.994 4.640 0.001 0.000 0.232 115 D C 1.374 177.649 176.300 -0.041 0.000 1.088 115 D CA -0.469 53.516 54.000 -0.025 0.000 0.835 115 D CB 1.122 41.913 40.800 -0.016 0.000 1.078 115 D HN -0.010 nan 8.370 nan 0.000 0.495 116 K N 2.026 122.389 120.400 -0.062 0.000 2.097 116 K HA -0.083 4.238 4.320 0.001 0.000 0.205 116 K C 1.752 178.188 176.600 -0.273 0.000 1.050 116 K CA 0.770 56.986 56.287 -0.117 0.000 0.938 116 K CB 0.081 32.554 32.500 -0.045 0.000 0.718 116 K HN 0.314 nan 8.250 nan 0.000 0.442 117 V N 1.641 121.363 119.914 -0.321 0.000 2.295 117 V HA -0.280 3.841 4.120 0.001 0.000 0.246 117 V C 2.457 178.464 176.094 -0.145 0.000 1.049 117 V CA 2.312 64.424 62.300 -0.313 0.000 1.024 117 V CB -0.581 31.131 31.823 -0.185 0.000 0.648 117 V HN 0.449 nan 8.190 nan 0.000 0.447 118 S N 0.829 116.480 115.700 -0.082 0.000 2.402 118 S HA -0.093 4.378 4.470 0.001 0.000 0.229 118 S C 2.076 176.657 174.600 -0.031 0.000 1.021 118 S CA 1.211 59.385 58.200 -0.043 0.000 0.974 118 S CB -0.466 62.720 63.200 -0.023 0.000 0.800 118 S HN 0.560 nan 8.310 nan 0.000 0.484 119 A N 2.204 125.015 122.820 -0.015 0.000 1.877 119 A HA 0.098 4.418 4.320 0.001 0.000 0.216 119 A C 2.225 179.824 177.584 0.025 0.000 1.186 119 A CA 1.453 53.510 52.037 0.034 0.000 0.620 119 A CB -0.873 18.197 19.000 0.118 0.000 0.822 119 A HN 0.555 nan 8.150 nan 0.000 0.443 120 I N -0.181 120.426 120.570 0.062 0.000 2.226 120 I HA -0.296 3.875 4.170 0.001 0.000 0.245 120 I C 2.981 179.081 176.117 -0.029 0.000 1.100 120 I CA 1.058 62.401 61.300 0.072 0.000 1.374 120 I CB -0.335 37.688 38.000 0.038 0.000 1.057 120 I HN 0.366 nan 8.210 nan 0.000 0.413 121 A N 0.737 123.532 122.820 -0.042 0.000 1.908 121 A HA -0.216 4.104 4.320 0.001 0.000 0.218 121 A C 2.539 180.092 177.584 -0.051 0.000 1.181 121 A CA 2.027 54.041 52.037 -0.038 0.000 0.627 121 A CB -0.891 18.089 19.000 -0.033 0.000 0.818 121 A HN 0.447 nan 8.150 nan 0.000 0.445 122 A N -1.081 121.702 122.820 -0.061 0.000 1.902 122 A HA -0.102 4.219 4.320 0.001 0.000 0.217 122 A C 2.180 179.696 177.584 -0.113 0.000 1.181 122 A CA 1.975 53.972 52.037 -0.068 0.000 0.623 122 A CB -0.435 18.535 19.000 -0.050 0.000 0.818 122 A HN 0.438 nan 8.150 nan 0.000 0.443 123 M N -0.515 118.965 119.600 -0.201 0.000 2.156 123 M HA -0.050 4.431 4.480 0.001 0.000 0.264 123 M C 2.075 178.266 176.300 -0.182 0.000 1.067 123 M CA 1.620 56.735 55.300 -0.308 0.000 1.131 123 M CB -1.203 30.955 32.600 -0.737 0.000 1.368 123 M HN 0.498 nan 8.290 nan 0.000 0.416 124 K N 0.723 121.057 120.400 -0.110 0.000 2.044 124 K HA -0.236 4.084 4.320 0.001 0.000 0.210 124 K C 2.144 178.718 176.600 -0.044 0.000 1.049 124 K CA 1.792 58.055 56.287 -0.041 0.000 0.927 124 K CB -0.114 32.383 32.500 -0.005 0.000 0.713 124 K HN 0.184 nan 8.250 nan 0.000 0.443 125 K N -0.080 120.291 120.400 -0.048 0.000 2.103 125 K HA -0.128 4.192 4.320 0.001 0.000 0.207 125 K C 1.796 178.366 176.600 -0.051 0.000 1.048 125 K CA 1.350 57.613 56.287 -0.040 0.000 0.930 125 K CB -0.151 32.328 32.500 -0.035 0.000 0.716 125 K HN 0.228 nan 8.250 nan 0.000 0.444 126 A N -0.079 122.696 122.820 -0.074 0.000 2.119 126 A HA 0.106 4.427 4.320 0.001 0.000 0.217 126 A C 1.397 178.921 177.584 -0.100 0.000 1.153 126 A CA 1.218 53.203 52.037 -0.086 0.000 0.692 126 A CB -0.371 18.567 19.000 -0.104 0.000 0.799 126 A HN 0.608 nan 8.150 nan 0.000 0.458 127 G N -2.165 106.580 108.800 -0.092 0.000 2.138 127 G HA2 -0.124 3.837 3.960 0.001 0.000 0.193 127 G HA3 -0.124 3.837 3.960 0.001 0.000 0.193 127 G C -0.013 174.823 174.900 -0.107 0.000 0.998 127 G CA -0.065 44.981 45.100 -0.090 0.000 0.668 127 G HN 0.738 nan 8.290 nan 0.000 0.516 128 V N 2.862 122.709 119.914 -0.111 0.000 2.432 128 V HA 0.470 4.591 4.120 0.001 0.000 0.275 128 V C -1.251 174.874 176.094 0.051 0.000 1.043 128 V CA -1.468 60.787 62.300 -0.074 0.000 0.925 128 V CB 1.422 33.147 31.823 -0.162 0.000 0.985 128 V HN 0.244 nan 8.190 nan 0.000 0.466 129 P HA 0.204 nan 4.420 nan 0.000 0.271 129 P C -0.614 176.893 177.300 0.345 0.000 1.216 129 P CA -0.049 63.177 63.100 0.211 0.000 0.771 129 P CB 0.698 32.510 31.700 0.186 0.000 0.864 130 C N 2.082 121.576 119.300 0.324 0.000 2.822 130 C HA 0.447 4.908 4.460 0.001 0.000 0.341 130 C C 0.411 175.670 174.990 0.449 0.000 1.301 130 C CA -0.632 58.624 59.018 0.398 0.000 1.706 130 C CB 1.991 29.903 27.740 0.287 0.000 2.178 130 C HN 0.353 nan 8.230 nan 0.000 0.481 131 V N 2.934 123.070 119.914 0.371 0.000 2.614 131 V HA 0.176 4.296 4.120 0.001 0.000 0.291 131 V C -2.051 174.139 176.094 0.159 0.000 1.049 131 V CA -0.722 61.709 62.300 0.220 0.000 1.038 131 V CB 0.240 32.115 31.823 0.087 0.000 0.980 131 V HN 0.757 nan 8.190 nan 0.000 0.481 132 P HA 0.301 nan 4.420 nan 0.000 0.261 132 P C 0.263 177.599 177.300 0.061 0.000 1.183 132 P CA 0.738 63.885 63.100 0.077 0.000 0.761 132 P CB 0.396 32.120 31.700 0.040 0.000 0.785 133 G N 0.700 109.544 108.800 0.075 0.000 2.634 133 G HA2 0.331 4.292 3.960 0.001 0.000 0.309 133 G HA3 0.331 4.292 3.960 0.001 0.000 0.309 133 G C 0.735 175.680 174.900 0.076 0.000 1.299 133 G CA -0.020 45.132 45.100 0.086 0.000 0.798 133 G HN 0.299 nan 8.290 nan 0.000 0.490 134 S N -0.593 115.165 115.700 0.097 0.000 2.423 134 S HA 0.003 4.473 4.470 0.001 0.000 0.231 134 S C 0.682 175.320 174.600 0.064 0.000 1.014 134 S CA 1.496 59.741 58.200 0.076 0.000 0.965 134 S CB -0.206 63.053 63.200 0.097 0.000 0.785 134 S HN 0.692 nan 8.310 nan 0.000 0.495 135 D N 1.608 122.048 120.400 0.066 0.000 2.708 135 D HA -0.045 4.596 4.640 0.001 0.000 0.236 135 D C 0.333 176.647 176.300 0.023 0.000 1.146 135 D CA 1.475 55.496 54.000 0.035 0.000 0.662 135 D CB -1.621 39.199 40.800 0.034 0.000 1.059 135 D HN 0.894 nan 8.370 nan 0.000 0.428 136 G N -1.109 107.709 108.800 0.029 0.000 2.321 136 G HA2 0.385 4.346 3.960 0.001 0.000 0.298 136 G HA3 0.385 4.346 3.960 0.001 0.000 0.298 136 G C -3.227 171.710 174.900 0.062 0.000 1.385 136 G CA -0.835 44.282 45.100 0.027 0.000 0.856 136 G HN -0.024 nan 8.290 nan 0.000 0.584 137 P HA 0.469 nan 4.420 nan 0.000 0.274 137 P C -0.142 177.205 177.300 0.079 0.000 1.237 137 P CA -0.320 62.833 63.100 0.088 0.000 0.793 137 P CB 1.016 32.755 31.700 0.065 0.000 0.977 138 L N 0.898 122.172 121.223 0.085 0.000 2.375 138 L HA 0.558 4.899 4.340 0.001 0.000 0.271 138 L C 1.407 178.305 176.870 0.048 0.000 1.107 138 L CA -0.238 54.638 54.840 0.060 0.000 0.806 138 L CB 0.830 42.922 42.059 0.055 0.000 1.146 138 L HN 0.501 nan 8.230 nan 0.000 0.447 139 G N 0.149 108.972 108.800 0.038 0.000 2.857 139 G HA2 0.220 4.181 3.960 0.001 0.000 0.217 139 G HA3 0.220 4.181 3.960 0.001 0.000 0.217 139 G C -0.065 174.852 174.900 0.028 0.000 1.357 139 G CA -0.262 44.857 45.100 0.032 0.000 1.033 139 G HN 0.619 nan 8.290 nan 0.000 0.571 140 D N -0.513 119.901 120.400 0.024 0.000 2.346 140 D HA 0.025 4.666 4.640 0.001 0.000 0.206 140 D C 0.246 176.558 176.300 0.020 0.000 1.001 140 D CA 0.129 54.141 54.000 0.021 0.000 0.871 140 D CB 0.276 41.087 40.800 0.018 0.000 0.943 140 D HN 0.235 nan 8.370 nan 0.000 0.518 141 D N 1.447 121.859 120.400 0.020 0.000 2.346 141 D HA -0.051 4.589 4.640 0.001 0.000 0.267 141 D C 1.194 177.507 176.300 0.021 0.000 1.320 141 D CA -0.034 53.977 54.000 0.019 0.000 0.951 141 D CB 0.618 41.429 40.800 0.018 0.000 1.079 141 D HN -0.161 nan 8.370 nan 0.000 0.509 142 M N 2.513 122.126 119.600 0.021 0.000 2.394 142 M HA -0.089 4.391 4.480 0.001 0.000 0.264 142 M C 0.998 177.315 176.300 0.027 0.000 1.073 142 M CA 0.726 56.041 55.300 0.025 0.000 1.111 142 M CB -0.377 32.237 32.600 0.024 0.000 1.401 142 M HN 0.289 nan 8.290 nan 0.000 0.448 143 D N 0.630 121.044 120.400 0.024 0.000 2.097 143 D HA -0.117 4.523 4.640 0.001 0.000 0.197 143 D C 1.992 178.306 176.300 0.023 0.000 0.984 143 D CA 1.248 55.263 54.000 0.024 0.000 0.826 143 D CB -0.061 40.750 40.800 0.020 0.000 0.973 143 D HN 0.322 nan 8.370 nan 0.000 0.460 144 K N 0.214 120.626 120.400 0.021 0.000 2.097 144 K HA -0.038 4.283 4.320 0.001 0.000 0.205 144 K C 1.742 178.353 176.600 0.019 0.000 1.050 144 K CA 0.733 57.031 56.287 0.019 0.000 0.938 144 K CB -0.005 32.507 32.500 0.019 0.000 0.718 144 K HN 0.047 nan 8.250 nan 0.000 0.442 145 N N 1.029 119.742 118.700 0.023 0.000 2.166 145 N HA -0.158 4.582 4.740 0.001 0.000 0.186 145 N C 1.714 177.237 175.510 0.022 0.000 1.019 145 N CA 1.034 54.098 53.050 0.022 0.000 0.856 145 N CB -0.149 38.355 38.487 0.028 0.000 0.993 145 N HN 0.178 nan 8.380 nan 0.000 0.426 146 R N 0.636 121.158 120.500 0.036 0.000 2.092 146 R HA 0.030 4.371 4.340 0.001 0.000 0.231 146 R C 1.949 178.266 176.300 0.028 0.000 1.119 146 R CA 1.220 57.354 56.100 0.056 0.000 0.970 146 R CB -0.091 30.249 30.300 0.066 0.000 0.864 146 R HN 0.183 nan 8.270 nan 0.000 0.440 147 A N 0.658 123.488 122.820 0.017 0.000 1.929 147 A HA -0.087 4.234 4.320 0.001 0.000 0.216 147 A C 2.049 179.624 177.584 -0.016 0.000 1.176 147 A CA 0.997 53.038 52.037 0.007 0.000 0.628 147 A CB -0.348 18.659 19.000 0.012 0.000 0.816 147 A HN 0.296 nan 8.150 nan 0.000 0.444 148 I N -0.063 120.495 120.570 -0.020 0.000 2.127 148 I HA -0.305 3.866 4.170 0.001 0.000 0.241 148 I C 2.974 179.036 176.117 -0.092 0.000 1.075 148 I CA 1.220 62.500 61.300 -0.034 0.000 1.334 148 I CB -0.327 37.664 38.000 -0.015 0.000 1.040 148 I HN 0.340 nan 8.210 nan 0.000 0.405 149 A N 0.485 123.217 122.820 -0.147 0.000 1.940 149 A HA -0.234 4.087 4.320 0.001 0.000 0.219 149 A C 2.307 179.647 177.584 -0.406 0.000 1.176 149 A CA 1.713 53.528 52.037 -0.370 0.000 0.631 149 A CB -0.451 18.252 19.000 -0.494 0.000 0.814 149 A HN 0.351 nan 8.150 nan 0.000 0.446 150 K N -0.955 119.336 120.400 -0.181 0.000 2.062 150 K HA -0.095 4.226 4.320 0.001 0.000 0.205 150 K C 2.397 178.962 176.600 -0.059 0.000 1.051 150 K CA 1.202 57.445 56.287 -0.074 0.000 0.941 150 K CB -0.163 32.343 32.500 0.010 0.000 0.719 150 K HN 0.482 nan 8.250 nan 0.000 0.440 151 R N 1.311 121.780 120.500 -0.052 0.000 2.073 151 R HA -0.115 4.226 4.340 0.001 0.000 0.234 151 R C 2.139 178.416 176.300 -0.039 0.000 1.134 151 R CA 1.404 57.486 56.100 -0.030 0.000 0.952 151 R CB -0.243 30.047 30.300 -0.017 0.000 0.850 151 R HN 0.118 nan 8.270 nan 0.000 0.433 152 I N 0.009 120.536 120.570 -0.070 0.000 2.202 152 I HA -0.032 4.139 4.170 0.001 0.000 0.242 152 I C 0.869 176.939 176.117 -0.078 0.000 1.091 152 I CA 1.165 62.423 61.300 -0.069 0.000 1.368 152 I CB -0.281 37.664 38.000 -0.092 0.000 1.058 152 I HN 0.528 nan 8.210 nan 0.000 0.410 153 G N -0.012 108.707 108.800 -0.136 0.000 3.338 153 G HA2 -0.190 3.770 3.960 0.001 0.000 0.686 153 G HA3 -0.190 3.770 3.960 0.001 0.000 0.686 153 G C -0.687 174.155 174.900 -0.097 0.000 1.053 153 G CA -1.004 44.044 45.100 -0.086 0.000 0.852 153 G HN 0.033 nan 8.290 nan 0.000 0.545 154 Y N 2.483 122.795 120.300 0.020 0.000 2.457 154 Y HA 0.397 4.947 4.550 0.001 0.000 0.341 154 Y C -0.511 175.410 175.900 0.035 0.000 1.240 154 Y CA -0.360 57.754 58.100 0.023 0.000 1.437 154 Y CB 0.301 38.767 38.460 0.011 0.000 1.328 154 Y HN 0.552 nan 8.280 nan 0.000 0.588 155 P HA 0.254 nan 4.420 nan 0.000 0.274 155 P C -0.936 176.484 177.300 0.200 0.000 1.231 155 P CA -0.285 62.984 63.100 0.282 0.000 0.790 155 P CB 1.214 33.053 31.700 0.232 0.000 0.951 156 V N -0.089 119.922 119.914 0.161 0.000 3.126 156 V HA 0.732 4.853 4.120 0.001 0.000 0.314 156 V C -0.573 175.549 176.094 0.045 0.000 1.138 156 V CA -1.150 61.186 62.300 0.060 0.000 1.034 156 V CB 2.083 33.855 31.823 -0.085 0.000 1.075 156 V HN 0.568 nan 8.190 nan 0.000 0.442 157 I N 1.595 122.183 120.570 0.030 0.000 2.582 157 I HA 0.577 4.747 4.170 0.001 0.000 0.292 157 I C -1.397 174.674 176.117 -0.076 0.000 1.066 157 I CA -0.916 60.371 61.300 -0.020 0.000 1.053 157 I CB 1.829 39.872 38.000 0.071 0.000 1.241 157 I HN 0.607 nan 8.210 nan 0.000 0.421 158 I N 6.985 127.494 120.570 -0.101 0.000 2.331 158 I HA 0.416 4.586 4.170 0.001 0.000 0.292 158 I C -0.229 175.754 176.117 -0.224 0.000 0.998 158 I CA -0.445 60.767 61.300 -0.147 0.000 1.267 158 I CB 0.991 38.943 38.000 -0.080 0.000 1.386 158 I HN 0.543 nan 8.210 nan 0.000 0.476 159 K N 4.083 124.214 120.400 -0.448 0.000 2.371 159 K HA 0.710 5.030 4.320 0.001 0.000 0.251 159 K C -0.529 175.851 176.600 -0.367 0.000 0.934 159 K CA -0.770 55.205 56.287 -0.521 0.000 0.798 159 K CB 2.718 34.652 32.500 -0.944 0.000 1.204 159 K HN 0.693 nan 8.250 nan 0.000 0.427 160 A N 1.322 124.084 122.820 -0.096 0.000 2.450 160 A HA 0.068 4.389 4.320 0.001 0.000 0.255 160 A C 1.177 178.837 177.584 0.127 0.000 1.096 160 A CA 0.013 52.078 52.037 0.047 0.000 0.778 160 A CB 0.769 19.844 19.000 0.126 0.000 1.031 160 A HN 0.787 nan 8.150 nan 0.000 0.494 161 S N 2.220 118.047 115.700 0.213 0.000 2.387 161 S HA -0.015 4.456 4.470 0.001 0.000 0.226 161 S C 1.619 176.219 174.600 0.000 0.000 1.026 161 S CA 1.572 59.888 58.200 0.193 0.000 0.972 161 S CB -0.235 63.049 63.200 0.140 0.000 0.814 161 S HN 1.080 nan 8.310 nan 0.000 0.477 162 G N -0.117 108.645 108.800 -0.064 0.000 3.314 162 G HA2 0.541 4.501 3.960 0.001 0.000 0.238 162 G HA3 0.541 4.501 3.960 0.001 0.000 0.238 162 G C 0.299 174.881 174.900 -0.530 0.000 1.184 162 G CA 0.231 45.243 45.100 -0.146 0.000 0.806 162 G HN 0.665 nan 8.290 nan 0.000 0.536 163 G N -1.743 106.558 108.800 -0.831 0.000 2.911 163 G HA2 0.757 4.718 3.960 0.001 0.000 0.299 163 G HA3 0.757 4.718 3.960 0.001 0.000 0.299 163 G C -0.662 173.844 174.900 -0.656 0.000 1.283 163 G CA -0.147 43.995 45.100 -1.597 0.000 0.805 163 G HN 0.862 nan 8.290 nan 0.000 0.548 164 G N -2.824 105.703 108.800 -0.455 0.000 2.466 164 G HA2 0.768 4.729 3.960 0.001 0.000 0.291 164 G HA3 0.768 4.729 3.960 0.001 0.000 0.291 164 G C 0.126 175.028 174.900 0.004 0.000 1.460 164 G CA 1.002 46.030 45.100 -0.121 0.000 0.791 164 G HN 2.389 nan 8.290 nan 0.000 0.505 165 G N -0.921 107.892 108.800 0.022 0.000 2.584 165 G HA2 0.311 4.272 3.960 0.001 0.000 0.229 165 G HA3 0.311 4.272 3.960 0.001 0.000 0.229 165 G C 1.285 175.955 174.900 -0.383 0.000 1.320 165 G CA 0.909 45.968 45.100 -0.068 0.000 0.891 165 G HN 2.122 nan 8.290 nan 0.000 0.573 166 G N -0.180 108.246 108.800 -0.623 0.000 2.448 166 G HA2 0.198 4.159 3.960 0.001 0.000 0.218 166 G HA3 0.198 4.159 3.960 0.001 0.000 0.218 166 G C 0.971 175.751 174.900 -0.199 0.000 1.135 166 G CA 1.248 45.973 45.100 -0.625 0.000 0.784 166 G HN 0.793 nan 8.290 nan 0.000 0.543 167 R N -0.389 120.072 120.500 -0.065 0.000 2.643 167 R HA 0.430 4.771 4.340 0.001 0.000 0.270 167 R C 1.176 177.558 176.300 0.138 0.000 1.061 167 R CA 0.561 56.682 56.100 0.034 0.000 1.107 167 R CB 0.401 30.722 30.300 0.035 0.000 0.999 167 R HN 0.219 nan 8.270 nan 0.000 0.460 168 G N 1.996 110.864 108.800 0.113 0.000 2.314 168 G HA2 -0.284 3.676 3.960 0.001 0.000 0.292 168 G HA3 -0.284 3.676 3.960 0.001 0.000 0.292 168 G C -0.215 174.705 174.900 0.033 0.000 1.059 168 G CA 0.128 45.305 45.100 0.129 0.000 0.982 168 G HN 0.416 nan 8.290 nan 0.000 0.505 169 M N -0.699 118.900 119.600 -0.001 0.000 2.324 169 M HA 0.516 4.997 4.480 0.001 0.000 0.288 169 M C -0.137 176.143 176.300 -0.033 0.000 1.097 169 M CA -0.615 54.670 55.300 -0.025 0.000 0.928 169 M CB 2.510 35.118 32.600 0.013 0.000 1.648 169 M HN 0.175 nan 8.290 nan 0.000 0.460 170 R N 1.985 122.450 120.500 -0.057 0.000 2.510 170 R HA 0.489 4.830 4.340 0.001 0.000 0.287 170 R C -1.465 174.768 176.300 -0.112 0.000 1.084 170 R CA -0.622 55.435 56.100 -0.072 0.000 0.934 170 R CB 2.621 32.888 30.300 -0.055 0.000 1.201 170 R HN 0.483 nan 8.270 nan 0.000 0.431 171 V N 4.028 123.833 119.914 -0.182 0.000 2.508 171 V HA 0.216 4.337 4.120 0.001 0.000 0.281 171 V C 0.221 176.211 176.094 -0.173 0.000 1.041 171 V CA -0.328 61.788 62.300 -0.307 0.000 1.016 171 V CB 1.393 32.861 31.823 -0.591 0.000 0.984 171 V HN 0.382 nan 8.190 nan 0.000 0.478 172 V N 6.493 126.352 119.914 -0.092 0.000 2.444 172 V HA 0.447 4.568 4.120 0.001 0.000 0.294 172 V C 0.639 176.786 176.094 0.088 0.000 1.022 172 V CA -0.606 61.701 62.300 0.011 0.000 0.850 172 V CB 1.540 33.425 31.823 0.102 0.000 0.992 172 V HN 0.842 nan 8.190 nan 0.000 0.426 173 R N 2.544 123.025 120.500 -0.030 0.000 2.397 173 R HA 0.488 4.829 4.340 0.001 0.000 0.241 173 R C 0.689 176.752 176.300 -0.395 0.000 0.914 173 R CA 0.347 56.404 56.100 -0.072 0.000 1.071 173 R CB 1.242 31.495 30.300 -0.078 0.000 1.116 173 R HN 0.821 nan 8.270 nan 0.000 0.524 174 G N -0.691 107.733 108.800 -0.627 0.000 2.623 174 G HA2 0.061 4.021 3.960 0.001 0.000 0.290 174 G HA3 0.061 4.021 3.960 0.001 0.000 0.290 174 G C -0.836 173.668 174.900 -0.659 0.000 1.437 174 G CA -0.581 43.948 45.100 -0.952 0.000 0.798 174 G HN -0.199 nan 8.290 nan 0.000 0.488 175 D N 0.150 120.273 120.400 -0.462 0.000 2.178 175 D HA -0.085 4.555 4.640 0.001 0.000 0.201 175 D C 2.627 178.892 176.300 -0.058 0.000 0.980 175 D CA 1.589 55.539 54.000 -0.084 0.000 0.842 175 D CB -0.060 40.737 40.800 -0.005 0.000 0.948 175 D HN 0.479 nan 8.370 nan 0.000 0.472 176 A N 0.642 123.402 122.820 -0.099 0.000 1.972 176 A HA -0.164 4.156 4.320 0.001 0.000 0.219 176 A C 1.882 179.436 177.584 -0.051 0.000 1.169 176 A CA 1.312 53.311 52.037 -0.063 0.000 0.635 176 A CB -0.242 18.716 19.000 -0.070 0.000 0.810 176 A HN 0.076 nan 8.150 nan 0.000 0.446 177 E N -0.961 119.198 120.200 -0.068 0.000 2.478 177 E HA 0.104 4.455 4.350 0.001 0.000 0.194 177 E C 1.555 178.148 176.600 -0.012 0.000 1.045 177 E CA -0.039 56.334 56.400 -0.046 0.000 0.868 177 E CB -0.038 29.623 29.700 -0.065 0.000 0.885 177 E HN 0.481 nan 8.360 nan 0.000 0.505 178 L N 0.738 121.969 121.223 0.013 0.000 2.005 178 L HA -0.051 4.289 4.340 0.001 0.000 0.207 178 L C 2.063 178.952 176.870 0.032 0.000 1.072 178 L CA 2.025 56.898 54.840 0.056 0.000 0.744 178 L CB -0.848 41.279 42.059 0.113 0.000 0.895 178 L HN 0.132 nan 8.230 nan 0.000 0.433 179 A N -1.291 121.543 122.820 0.023 0.000 1.883 179 A HA -0.282 4.038 4.320 0.001 0.000 0.217 179 A C 2.279 179.868 177.584 0.008 0.000 1.186 179 A CA 1.972 54.019 52.037 0.017 0.000 0.624 179 A CB -0.705 18.302 19.000 0.013 0.000 0.822 179 A HN 0.640 nan 8.150 nan 0.000 0.444 180 Q N -0.510 119.291 119.800 0.001 0.000 2.119 180 Q HA -0.111 4.230 4.340 0.001 0.000 0.201 180 Q C 2.412 178.409 176.000 -0.006 0.000 0.972 180 Q CA 1.580 57.380 55.803 -0.005 0.000 0.847 180 Q CB -0.095 28.636 28.738 -0.011 0.000 0.903 180 Q HN 0.682 nan 8.270 nan 0.000 0.433 181 S N 0.494 116.191 115.700 -0.006 0.000 2.383 181 S HA -0.091 4.380 4.470 0.001 0.000 0.227 181 S C 1.847 176.443 174.600 -0.007 0.000 1.026 181 S CA 0.797 58.990 58.200 -0.011 0.000 0.981 181 S CB -0.102 63.091 63.200 -0.012 0.000 0.818 181 S HN 0.323 nan 8.310 nan 0.000 0.472 182 I N 1.925 122.496 120.570 0.002 0.000 2.252 182 I HA -0.179 3.991 4.170 0.001 0.000 0.245 182 I C 2.728 178.849 176.117 0.007 0.000 1.102 182 I CA 1.373 62.676 61.300 0.005 0.000 1.385 182 I CB -0.537 37.472 38.000 0.014 0.000 1.064 182 I HN 0.384 nan 8.210 nan 0.000 0.414 183 S N 1.057 116.760 115.700 0.006 0.000 2.368 183 S HA -0.180 4.290 4.470 0.001 0.000 0.224 183 S C 2.061 176.662 174.600 0.001 0.000 1.029 183 S CA 1.031 59.234 58.200 0.005 0.000 0.988 183 S CB -0.493 62.709 63.200 0.003 0.000 0.838 183 S HN 0.343 nan 8.310 nan 0.000 0.462 184 M N 1.211 120.809 119.600 -0.004 0.000 2.132 184 M HA -0.056 4.425 4.480 0.001 0.000 0.263 184 M C 2.421 178.716 176.300 -0.007 0.000 1.065 184 M CA 1.746 57.040 55.300 -0.009 0.000 1.122 184 M CB -0.896 31.695 32.600 -0.015 0.000 1.365 184 M HN 0.408 nan 8.290 nan 0.000 0.411 185 T N -0.344 114.207 114.554 -0.004 0.000 2.857 185 T HA -0.124 4.227 4.350 0.001 0.000 0.266 185 T C 1.751 176.466 174.700 0.024 0.000 1.048 185 T CA 1.159 63.261 62.100 0.003 0.000 1.139 185 T CB -0.302 68.559 68.868 -0.011 0.000 0.874 185 T HN 0.373 nan 8.240 nan 0.000 0.455 186 R N 1.120 121.633 120.500 0.022 0.000 2.081 186 R HA -0.033 4.308 4.340 0.001 0.000 0.235 186 R C 2.543 178.860 176.300 0.029 0.000 1.131 186 R CA 1.422 57.543 56.100 0.035 0.000 0.960 186 R CB -0.443 29.874 30.300 0.029 0.000 0.856 186 R HN 0.363 nan 8.270 nan 0.000 0.436 187 A N 0.982 123.808 122.820 0.010 0.000 1.858 187 A HA -0.169 4.151 4.320 0.001 0.000 0.216 187 A C 1.903 179.475 177.584 -0.020 0.000 1.190 187 A CA 1.671 53.706 52.037 -0.004 0.000 0.617 187 A CB -0.463 18.531 19.000 -0.010 0.000 0.827 187 A HN 0.521 nan 8.150 nan 0.000 0.443 188 E N -0.293 119.891 120.200 -0.027 0.000 2.208 188 E HA 0.013 4.364 4.350 0.001 0.000 0.193 188 E C 2.186 178.725 176.600 -0.103 0.000 0.988 188 E CA 0.639 56.998 56.400 -0.067 0.000 0.828 188 E CB -0.220 29.445 29.700 -0.058 0.000 0.763 188 E HN 0.620 nan 8.360 nan 0.000 0.478 189 A N 1.840 124.667 122.820 0.012 0.000 1.873 189 A HA -0.212 4.108 4.320 0.001 0.000 0.215 189 A C 2.076 179.703 177.584 0.072 0.000 1.186 189 A CA 1.460 53.588 52.037 0.151 0.000 0.616 189 A CB -0.315 18.837 19.000 0.255 0.000 0.823 189 A HN 0.049 nan 8.150 nan 0.000 0.442 190 K N -0.293 120.132 120.400 0.041 0.000 2.026 190 K HA -0.113 4.207 4.320 0.001 0.000 0.208 190 K C 2.154 178.732 176.600 -0.037 0.000 1.048 190 K CA 1.277 57.579 56.287 0.024 0.000 0.929 190 K CB -0.328 32.184 32.500 0.021 0.000 0.713 190 K HN 0.361 nan 8.250 nan 0.000 0.439 191 A N 0.712 123.483 122.820 -0.081 0.000 1.933 191 A HA -0.089 4.231 4.320 0.001 0.000 0.218 191 A C 2.208 179.674 177.584 -0.198 0.000 1.175 191 A CA 1.939 53.908 52.037 -0.112 0.000 0.628 191 A CB -0.545 18.392 19.000 -0.105 0.000 0.814 191 A HN 0.493 nan 8.150 nan 0.000 0.444 192 A N -1.772 120.817 122.820 -0.384 0.000 1.911 192 A HA 0.369 4.690 4.320 0.001 0.000 0.212 192 A C 1.444 178.627 177.584 -0.669 0.000 1.189 192 A CA 0.979 52.596 52.037 -0.700 0.000 0.639 192 A CB -0.214 18.029 19.000 -1.262 0.000 0.839 192 A HN 0.511 nan 8.150 nan 0.000 0.449 193 F N -0.612 119.344 119.950 0.010 0.000 2.688 193 F HA 0.235 4.763 4.527 0.001 0.000 0.310 193 F C 0.963 176.774 175.800 0.019 0.000 1.098 193 F CA 0.348 58.358 58.000 0.016 0.000 1.228 193 F CB 0.291 39.304 39.000 0.021 0.000 1.042 193 F HN 0.017 nan 8.300 nan 0.000 0.557 194 S N 1.689 117.453 115.700 0.106 0.000 3.521 194 S HA -0.271 4.200 4.470 0.001 0.000 0.362 194 S C -0.375 174.289 174.600 0.106 0.000 1.044 194 S CA 0.854 59.103 58.200 0.081 0.000 1.091 194 S CB -1.571 61.669 63.200 0.066 0.000 0.908 194 S HN 0.603 nan 8.310 nan 0.000 0.473 195 N N 0.885 119.672 118.700 0.145 0.000 2.542 195 N HA 0.253 4.993 4.740 0.001 0.000 0.288 195 N C -0.526 175.069 175.510 0.142 0.000 1.115 195 N CA -0.407 52.723 53.050 0.133 0.000 0.924 195 N CB 1.394 39.966 38.487 0.141 0.000 1.526 195 N HN 0.152 nan 8.380 nan 0.000 0.515 196 D N 2.964 123.422 120.400 0.097 0.000 2.339 196 D HA 0.033 4.674 4.640 0.001 0.000 0.217 196 D C 0.480 176.832 176.300 0.087 0.000 1.050 196 D CA -0.145 53.907 54.000 0.086 0.000 0.856 196 D CB 0.038 40.872 40.800 0.057 0.000 0.922 196 D HN 0.487 nan 8.370 nan 0.000 0.518 197 M N 1.867 121.524 119.600 0.095 0.000 2.238 197 M HA 0.181 4.661 4.480 0.001 0.000 0.350 197 M C -0.579 175.795 176.300 0.125 0.000 1.321 197 M CA -0.159 55.200 55.300 0.098 0.000 1.097 197 M CB 0.877 33.532 32.600 0.091 0.000 1.713 197 M HN -0.029 nan 8.290 nan 0.000 0.455 198 V N 3.467 123.455 119.914 0.123 0.000 3.040 198 V HA 0.785 4.906 4.120 0.001 0.000 0.312 198 V C -1.398 174.816 176.094 0.199 0.000 1.115 198 V CA -0.855 61.517 62.300 0.120 0.000 0.998 198 V CB 1.609 33.452 31.823 0.034 0.000 1.042 198 V HN 0.925 nan 8.190 nan 0.000 0.433 199 Y N 0.860 121.174 120.300 0.024 0.000 2.665 199 Y HA 0.878 5.428 4.550 0.001 0.000 0.336 199 Y C -0.609 175.304 175.900 0.022 0.000 1.085 199 Y CA -1.860 56.254 58.100 0.023 0.000 1.096 199 Y CB 2.109 40.584 38.460 0.025 0.000 1.301 199 Y HN 0.891 nan 8.280 nan 0.000 0.493 200 M N 1.501 121.171 119.600 0.116 0.000 2.395 200 M HA 0.500 4.981 4.480 0.001 0.000 0.307 200 M C -1.851 174.505 176.300 0.092 0.000 1.091 200 M CA -0.226 55.082 55.300 0.013 0.000 0.919 200 M CB 2.297 34.904 32.600 0.012 0.000 1.662 200 M HN 0.984 nan 8.290 nan 0.000 0.440 201 E N 2.106 122.329 120.200 0.038 0.000 2.336 201 E HA 0.334 4.685 4.350 0.001 0.000 0.267 201 E C -1.533 175.083 176.600 0.028 0.000 0.906 201 E CA -0.989 55.453 56.400 0.070 0.000 0.781 201 E CB 2.641 32.400 29.700 0.099 0.000 1.261 201 E HN 0.544 nan 8.360 nan 0.000 0.436 202 K N 1.604 122.005 120.400 0.002 0.000 2.451 202 K HA -0.038 4.282 4.320 0.001 0.000 0.280 202 K C -1.080 175.531 176.600 0.019 0.000 1.020 202 K CA 0.049 56.325 56.287 -0.018 0.000 1.008 202 K CB 0.259 32.713 32.500 -0.076 0.000 0.917 202 K HN 0.398 nan 8.250 nan 0.000 0.478 203 Y N 5.950 126.214 120.300 -0.061 0.000 2.393 203 Y HA 0.200 4.750 4.550 0.001 0.000 0.338 203 Y C -0.776 175.090 175.900 -0.057 0.000 1.029 203 Y CA -0.552 57.522 58.100 -0.042 0.000 1.239 203 Y CB 0.385 38.841 38.460 -0.007 0.000 1.170 203 Y HN 0.422 nan 8.280 nan 0.000 0.515 204 L N 6.913 127.783 121.223 -0.589 0.000 2.276 204 L HA 0.229 4.570 4.340 0.001 0.000 0.286 204 L C 1.159 177.553 176.870 -0.793 0.000 1.061 204 L CA -0.474 54.045 54.840 -0.535 0.000 0.807 204 L CB 1.135 42.979 42.059 -0.360 0.000 1.177 204 L HN 0.660 nan 8.230 nan 0.000 0.429 205 E N 2.278 122.206 120.200 -0.454 0.000 2.046 205 E HA -0.072 4.278 4.350 0.001 0.000 0.190 205 E C 0.141 176.706 176.600 -0.059 0.000 0.982 205 E CA 1.306 57.541 56.400 -0.275 0.000 0.800 205 E CB 0.185 29.849 29.700 -0.060 0.000 0.756 205 E HN 0.645 nan 8.360 nan 0.000 0.449 206 N N 0.808 119.491 118.700 -0.028 0.000 2.703 206 N HA 0.153 4.894 4.740 0.001 0.000 0.283 206 N C -2.686 172.831 175.510 0.013 0.000 1.851 206 N CA -0.721 52.380 53.050 0.087 0.000 0.826 206 N CB 1.743 40.281 38.487 0.084 0.000 1.239 206 N HN 0.043 nan 8.380 nan 0.000 0.495 207 P HA 0.267 nan 4.420 nan 0.000 0.278 207 P C -0.535 176.784 177.300 0.030 0.000 1.258 207 P CA -0.359 62.731 63.100 -0.016 0.000 0.811 207 P CB 1.505 33.185 31.700 -0.033 0.000 1.063 208 R N -0.206 120.364 120.500 0.117 0.000 2.536 208 R HA 0.333 4.674 4.340 0.001 0.000 0.279 208 R C 0.460 176.911 176.300 0.252 0.000 1.001 208 R CA -0.571 55.635 56.100 0.177 0.000 1.027 208 R CB 0.614 31.056 30.300 0.237 0.000 1.096 208 R HN 0.613 nan 8.270 nan 0.000 0.502 209 H N 2.034 121.162 119.070 0.097 0.000 2.690 209 H HA 0.300 4.856 4.556 0.001 0.000 0.289 209 H C -1.144 174.272 175.328 0.147 0.000 1.089 209 H CA -0.633 55.480 56.048 0.108 0.000 1.299 209 H CB 0.612 30.396 29.762 0.036 0.000 1.405 209 H HN 0.127 nan 8.280 nan 0.000 0.463 210 V N 6.503 126.575 119.914 0.264 0.000 2.487 210 V HA 0.188 4.309 4.120 0.001 0.000 0.298 210 V C -0.386 175.865 176.094 0.262 0.000 1.028 210 V CA -0.727 61.687 62.300 0.190 0.000 0.860 210 V CB 1.710 33.667 31.823 0.224 0.000 0.991 210 V HN 0.836 nan 8.190 nan 0.000 0.427 211 E N 5.256 125.526 120.200 0.116 0.000 2.312 211 E HA 0.676 5.027 4.350 0.001 0.000 0.267 211 E C -1.622 175.081 176.600 0.172 0.000 0.894 211 E CA -0.990 55.519 56.400 0.181 0.000 0.773 211 E CB 2.683 32.385 29.700 0.004 0.000 1.241 211 E HN 0.360 nan 8.360 nan 0.000 0.432 212 I N 2.130 122.862 120.570 0.270 0.000 2.362 212 I HA 0.184 4.354 4.170 0.001 0.000 0.289 212 I C -0.181 176.077 176.117 0.234 0.000 0.994 212 I CA -0.752 60.671 61.300 0.205 0.000 1.158 212 I CB 1.096 39.207 38.000 0.184 0.000 1.315 212 I HN 0.697 nan 8.210 nan 0.000 0.451 213 Q N 6.053 125.953 119.800 0.166 0.000 2.286 213 Q HA 0.513 4.853 4.340 0.001 0.000 0.257 213 Q C -0.838 175.275 176.000 0.188 0.000 0.941 213 Q CA -0.249 55.645 55.803 0.152 0.000 0.912 213 Q CB 1.292 30.095 28.738 0.107 0.000 1.192 213 Q HN 0.557 nan 8.270 nan 0.000 0.410 214 V N 1.873 121.903 119.914 0.192 0.000 2.960 214 V HA 0.755 4.875 4.120 0.001 0.000 0.315 214 V C -1.054 175.135 176.094 0.159 0.000 1.087 214 V CA -1.038 61.382 62.300 0.199 0.000 0.982 214 V CB 1.994 33.990 31.823 0.288 0.000 1.039 214 V HN 0.759 nan 8.190 nan 0.000 0.437 215 L N 2.456 123.765 121.223 0.143 0.000 2.410 215 L HA 0.927 5.267 4.340 0.001 0.000 0.270 215 L C -0.186 176.769 176.870 0.141 0.000 0.983 215 L CA -0.571 54.347 54.840 0.130 0.000 0.822 215 L CB 1.979 44.078 42.059 0.066 0.000 1.285 215 L HN 1.109 nan 8.230 nan 0.000 0.409 216 A N 1.076 123.999 122.820 0.172 0.000 2.475 216 A HA 0.586 4.906 4.320 0.001 0.000 0.301 216 A C -0.403 177.220 177.584 0.066 0.000 1.059 216 A CA -0.579 51.542 52.037 0.142 0.000 0.710 216 A CB 1.350 20.495 19.000 0.241 0.000 1.288 216 A HN 0.789 nan 8.150 nan 0.000 0.408 217 D N 0.379 120.801 120.400 0.035 0.000 2.350 217 D HA 0.270 4.910 4.640 0.001 0.000 0.213 217 D C 1.159 177.451 176.300 -0.013 0.000 1.031 217 D CA 0.892 54.893 54.000 0.002 0.000 0.861 217 D CB 0.013 40.813 40.800 -0.000 0.000 0.926 217 D HN 1.622 nan 8.370 nan 0.000 0.520 218 G N 0.422 109.221 108.800 -0.002 0.000 2.155 218 G HA2 -0.362 3.599 3.960 0.001 0.000 0.257 218 G HA3 -0.362 3.599 3.960 0.001 0.000 0.257 218 G C 0.623 175.520 174.900 -0.005 0.000 0.983 218 G CA 0.460 45.552 45.100 -0.014 0.000 0.676 218 G HN 0.484 nan 8.290 nan 0.000 0.528 219 Q N -1.110 118.691 119.800 0.002 0.000 2.155 219 Q HA 0.457 4.797 4.340 0.001 0.000 0.220 219 Q C 1.691 177.695 176.000 0.007 0.000 0.819 219 Q CA 0.416 56.219 55.803 0.001 0.000 1.032 219 Q CB 1.026 29.762 28.738 -0.003 0.000 1.151 219 Q HN 1.356 nan 8.270 nan 0.000 0.487 220 G N 1.049 109.858 108.800 0.016 0.000 2.232 220 G HA2 -0.192 3.769 3.960 0.001 0.000 0.226 220 G HA3 -0.192 3.769 3.960 0.001 0.000 0.226 220 G C -0.051 174.861 174.900 0.021 0.000 0.996 220 G CA -0.519 44.591 45.100 0.017 0.000 0.626 220 G HN 0.287 nan 8.290 nan 0.000 0.509 221 N N 1.207 119.920 118.700 0.022 0.000 2.456 221 N HA 0.690 5.431 4.740 0.001 0.000 0.288 221 N C -0.152 175.383 175.510 0.042 0.000 1.059 221 N CA 0.638 53.701 53.050 0.022 0.000 0.946 221 N CB 1.912 40.404 38.487 0.010 0.000 1.150 221 N HN 0.974 nan 8.380 nan 0.000 0.479 222 A N 1.691 124.537 122.820 0.044 0.000 2.520 222 A HA 0.715 5.036 4.320 0.001 0.000 0.298 222 A C -0.641 176.974 177.584 0.051 0.000 1.051 222 A CA -0.777 51.303 52.037 0.070 0.000 0.690 222 A CB 1.133 20.193 19.000 0.100 0.000 1.281 222 A HN 0.686 nan 8.150 nan 0.000 0.402 223 I N -0.846 119.754 120.570 0.050 0.000 2.828 223 I HA 0.854 5.024 4.170 0.001 0.000 0.302 223 I C -0.883 175.272 176.117 0.064 0.000 1.101 223 I CA -1.196 60.102 61.300 -0.002 0.000 1.031 223 I CB 2.100 40.043 38.000 -0.095 0.000 1.231 223 I HN 0.764 nan 8.210 nan 0.000 0.427 224 Y N 2.789 123.074 120.300 -0.025 0.000 2.387 224 Y HA 0.794 5.344 4.550 0.001 0.000 0.336 224 Y C -1.047 174.838 175.900 -0.024 0.000 1.067 224 Y CA -1.550 56.538 58.100 -0.020 0.000 1.114 224 Y CB 1.328 39.751 38.460 -0.062 0.000 1.208 224 Y HN 0.473 nan 8.280 nan 0.000 0.458 225 L N 4.530 125.801 121.223 0.079 0.000 2.892 225 L HA 0.682 5.023 4.340 0.001 0.000 0.251 225 L C 0.528 177.443 176.870 0.074 0.000 1.339 225 L CA 0.291 55.134 54.840 0.005 0.000 0.900 225 L CB -0.221 41.844 42.059 0.010 0.000 1.246 225 L HN 1.149 nan 8.230 nan 0.000 0.524 226 A N 0.397 123.315 122.820 0.162 0.000 6.219 226 A HA -0.087 4.234 4.320 0.001 0.000 0.263 226 A C 0.291 177.924 177.584 0.082 0.000 2.100 226 A CA 1.062 53.179 52.037 0.134 0.000 0.709 226 A CB -0.626 18.412 19.000 0.062 0.000 1.081 226 A HN 0.585 nan 8.150 nan 0.000 0.372 227 E N 0.519 120.738 120.200 0.030 0.000 2.378 227 E HA 0.818 5.168 4.350 0.001 0.000 0.265 227 E C -0.574 176.025 176.600 -0.002 0.000 0.932 227 E CA -0.872 55.536 56.400 0.014 0.000 0.795 227 E CB 1.345 31.035 29.700 -0.015 0.000 1.296 227 E HN 0.785 nan 8.360 nan 0.000 0.438 228 R N 0.401 120.901 120.500 -0.000 0.000 2.686 228 R HA 0.331 4.671 4.340 0.001 0.000 0.283 228 R C -1.127 175.161 176.300 -0.019 0.000 0.978 228 R CA -0.877 55.210 56.100 -0.020 0.000 0.897 228 R CB 1.617 31.903 30.300 -0.024 0.000 1.192 228 R HN 0.517 nan 8.270 nan 0.000 0.457 229 D N 1.537 121.933 120.400 -0.006 0.000 2.274 229 D HA 0.175 4.815 4.640 0.001 0.000 0.239 229 D C -0.237 176.075 176.300 0.021 0.000 1.104 229 D CA -0.370 53.641 54.000 0.019 0.000 0.840 229 D CB 1.200 42.031 40.800 0.052 0.000 1.100 229 D HN 0.540 nan 8.370 nan 0.000 0.477 230 C N 2.625 121.920 119.300 -0.009 0.000 2.863 230 C HA 0.175 4.636 4.460 0.001 0.000 0.284 230 C C 2.029 177.082 174.990 0.104 0.000 1.426 230 C CA -0.412 58.613 59.018 0.012 0.000 1.782 230 C CB -1.138 26.544 27.740 -0.095 0.000 2.554 230 C HN 0.558 nan 8.230 nan 0.000 0.566 231 S N 1.172 116.946 115.700 0.122 0.000 2.447 231 S HA -0.091 4.379 4.470 0.001 0.000 0.233 231 S C 0.909 175.570 174.600 0.101 0.000 1.006 231 S CA 0.881 59.156 58.200 0.125 0.000 0.957 231 S CB -0.223 63.051 63.200 0.123 0.000 0.773 231 S HN 0.654 nan 8.310 nan 0.000 0.507 232 M N 3.080 122.746 119.600 0.110 0.000 2.618 232 M HA 0.183 4.664 4.480 0.001 0.000 0.322 232 M C -0.497 175.833 176.300 0.050 0.000 1.471 232 M CA -0.024 55.334 55.300 0.097 0.000 1.450 232 M CB -0.549 32.105 32.600 0.089 0.000 1.444 232 M HN 0.224 nan 8.290 nan 0.000 0.471 233 Q N 2.609 122.429 119.800 0.032 0.000 2.534 233 Q HA 0.716 5.056 4.340 0.001 0.000 0.290 233 Q C -1.373 174.607 176.000 -0.034 0.000 0.991 233 Q CA -1.045 54.753 55.803 -0.007 0.000 0.783 233 Q CB 1.369 30.101 28.738 -0.009 0.000 1.470 233 Q HN 0.597 nan 8.270 nan 0.000 0.406 234 R N 0.754 121.216 120.500 -0.063 0.000 2.564 234 R HA 0.581 4.921 4.340 0.001 0.000 0.284 234 R C -0.893 175.369 176.300 -0.062 0.000 1.031 234 R CA -0.521 55.530 56.100 -0.082 0.000 0.904 234 R CB 1.233 31.434 30.300 -0.165 0.000 1.199 234 R HN 0.801 nan 8.270 nan 0.000 0.443 235 R N 4.039 124.538 120.500 -0.002 0.000 3.333 235 R HA -0.195 4.145 4.340 0.001 0.000 0.256 235 R C -0.620 175.792 176.300 0.186 0.000 1.010 235 R CA 1.255 57.406 56.100 0.085 0.000 0.680 235 R CB -2.150 28.150 30.300 -0.001 0.000 1.102 235 R HN 0.999 nan 8.270 nan 0.000 0.440 236 H N -2.549 116.500 119.070 -0.035 0.000 2.921 236 H HA -0.220 4.337 4.556 0.001 0.000 0.281 236 H C 0.266 175.575 175.328 -0.030 0.000 1.165 236 H CA 1.618 57.647 56.048 -0.032 0.000 1.151 236 H CB -0.644 29.105 29.762 -0.021 0.000 1.311 236 H HN 0.664 nan 8.280 nan 0.000 0.361 237 Q N 1.344 121.163 119.800 0.031 0.000 2.341 237 Q HA 0.344 4.684 4.340 0.001 0.000 0.268 237 Q C -0.680 175.308 176.000 -0.020 0.000 1.013 237 Q CA -0.807 54.993 55.803 -0.004 0.000 0.798 237 Q CB 1.306 30.022 28.738 -0.037 0.000 1.253 237 Q HN 0.187 nan 8.270 nan 0.000 0.457 238 K N 2.045 122.441 120.400 -0.006 0.000 2.382 238 K HA 0.090 4.411 4.320 0.001 0.000 0.275 238 K C 0.152 176.745 176.600 -0.012 0.000 1.009 238 K CA -0.140 56.147 56.287 -0.000 0.000 0.970 238 K CB 1.233 33.734 32.500 0.002 0.000 0.934 238 K HN 0.466 nan 8.250 nan 0.000 0.479 239 V N 1.611 121.522 119.914 -0.004 0.000 3.058 239 V HA 0.054 4.175 4.120 0.001 0.000 0.233 239 V C -0.054 176.039 176.094 -0.001 0.000 1.255 239 V CA 0.089 62.386 62.300 -0.004 0.000 1.267 239 V CB 1.146 32.963 31.823 -0.010 0.000 1.049 239 V HN 0.438 nan 8.190 nan 0.000 0.486 240 V N 1.130 121.045 119.914 0.002 0.000 2.656 240 V HA 0.614 4.734 4.120 0.001 0.000 0.307 240 V C -1.127 174.995 176.094 0.047 0.000 1.051 240 V CA -0.558 61.749 62.300 0.012 0.000 0.893 240 V CB 2.083 33.882 31.823 -0.040 0.000 0.999 240 V HN 0.454 nan 8.190 nan 0.000 0.426 241 E N 2.471 122.701 120.200 0.050 0.000 2.299 241 E HA 0.770 5.120 4.350 0.001 0.000 0.265 241 E C -0.984 175.661 176.600 0.076 0.000 0.911 241 E CA -0.844 55.585 56.400 0.049 0.000 0.789 241 E CB 2.410 32.112 29.700 0.004 0.000 1.246 241 E HN 0.870 nan 8.360 nan 0.000 0.427 242 E N -0.074 120.164 120.200 0.063 0.000 2.390 242 E HA 0.835 5.185 4.350 0.001 0.000 0.277 242 E C -1.622 174.932 176.600 -0.076 0.000 0.939 242 E CA -1.447 54.979 56.400 0.043 0.000 0.769 242 E CB 1.807 31.622 29.700 0.191 0.000 1.251 242 E HN 0.454 nan 8.360 nan 0.000 0.450 243 A N 2.067 124.736 122.820 -0.251 0.000 2.486 243 A HA 0.711 5.032 4.320 0.001 0.000 0.300 243 A C -2.758 174.458 177.584 -0.613 0.000 1.048 243 A CA -1.618 50.249 52.037 -0.284 0.000 0.696 243 A CB 1.523 20.446 19.000 -0.128 0.000 1.278 243 A HN 0.531 nan 8.150 nan 0.000 0.405 244 P HA 0.336 nan 4.420 nan 0.000 0.275 244 P C -0.023 177.226 177.300 -0.085 0.000 1.270 244 P CA -0.020 62.989 63.100 -0.152 0.000 0.791 244 P CB 0.568 32.242 31.700 -0.044 0.000 1.089 245 A N 0.813 123.616 122.820 -0.028 0.000 2.404 245 A HA 0.410 4.730 4.320 0.001 0.000 0.273 245 A C -2.108 175.486 177.584 0.016 0.000 1.144 245 A CA -1.385 50.649 52.037 -0.005 0.000 0.806 245 A CB -1.390 17.575 19.000 -0.059 0.000 1.080 245 A HN 0.347 nan 8.150 nan 0.000 0.509 246 P HA 0.202 nan 4.420 nan 0.000 0.264 246 P C 1.200 178.489 177.300 -0.019 0.000 1.183 246 P CA 1.951 65.053 63.100 0.004 0.000 0.763 246 P CB 0.674 32.345 31.700 -0.049 0.000 0.807 247 G N 2.828 111.613 108.800 -0.025 0.000 2.284 247 G HA2 -0.222 3.739 3.960 0.001 0.000 0.247 247 G HA3 -0.222 3.739 3.960 0.001 0.000 0.247 247 G C 0.231 175.124 174.900 -0.012 0.000 1.012 247 G CA -0.450 44.644 45.100 -0.009 0.000 0.618 247 G HN 0.480 nan 8.290 nan 0.000 0.521 248 I N 3.406 123.943 120.570 -0.055 0.000 2.517 248 I HA 0.264 4.435 4.170 0.001 0.000 0.285 248 I C 1.562 177.670 176.117 -0.014 0.000 1.106 248 I CA 0.555 61.811 61.300 -0.073 0.000 1.402 248 I CB 0.037 37.968 38.000 -0.115 0.000 1.399 248 I HN 0.410 nan 8.210 nan 0.000 0.535 249 T N 4.866 119.424 114.554 0.006 0.000 2.849 249 T HA 0.304 4.655 4.350 0.001 0.000 0.284 249 T C -1.750 172.965 174.700 0.025 0.000 1.004 249 T CA -1.555 60.554 62.100 0.016 0.000 1.021 249 T CB 1.080 69.959 68.868 0.018 0.000 1.013 249 T HN 0.317 nan 8.240 nan 0.000 0.527 250 P HA -0.123 nan 4.420 nan 0.000 0.218 250 P C 1.668 178.998 177.300 0.050 0.000 1.148 250 P CA 0.939 64.067 63.100 0.046 0.000 0.822 250 P CB 0.035 31.763 31.700 0.047 0.000 0.784 251 E N -0.354 119.871 120.200 0.042 0.000 2.152 251 E HA -0.135 4.215 4.350 0.001 0.000 0.192 251 E C 1.895 178.531 176.600 0.060 0.000 0.983 251 E CA 0.952 57.380 56.400 0.047 0.000 0.818 251 E CB -1.273 28.445 29.700 0.031 0.000 0.758 251 E HN 0.188 nan 8.360 nan 0.000 0.467 252 L N 1.713 122.967 121.223 0.052 0.000 2.109 252 L HA -0.006 4.335 4.340 0.001 0.000 0.207 252 L C 2.787 179.691 176.870 0.057 0.000 1.086 252 L CA 1.582 56.475 54.840 0.088 0.000 0.760 252 L CB -0.640 41.481 42.059 0.104 0.000 0.910 252 L HN 0.040 nan 8.230 nan 0.000 0.437 253 R N 0.051 120.557 120.500 0.010 0.000 2.083 253 R HA -0.225 4.116 4.340 0.001 0.000 0.237 253 R C 2.465 178.674 176.300 -0.151 0.000 1.137 253 R CA 2.075 58.139 56.100 -0.060 0.000 0.951 253 R CB -0.283 30.032 30.300 0.025 0.000 0.851 253 R HN 0.546 nan 8.270 nan 0.000 0.434 254 R N -1.224 119.251 120.500 -0.041 0.000 2.115 254 R HA -0.152 4.189 4.340 0.001 0.000 0.226 254 R C 2.168 178.346 176.300 -0.202 0.000 1.100 254 R CA 1.364 57.414 56.100 -0.084 0.000 0.980 254 R CB -1.034 29.322 30.300 0.093 0.000 0.875 254 R HN 0.318 nan 8.270 nan 0.000 0.445 255 Y N 1.517 121.693 120.300 -0.206 0.000 2.030 255 Y HA -0.290 4.260 4.550 0.001 0.000 0.274 255 Y C 2.129 177.816 175.900 -0.355 0.000 1.153 255 Y CA 2.105 60.077 58.100 -0.213 0.000 1.115 255 Y CB -0.252 38.130 38.460 -0.129 0.000 0.969 255 Y HN 0.110 nan 8.280 nan 0.000 0.488 256 I N 0.627 120.968 120.570 -0.381 0.000 2.353 256 I HA -0.047 4.124 4.170 0.001 0.000 0.248 256 I C 2.453 178.102 176.117 -0.780 0.000 1.119 256 I CA 1.673 62.555 61.300 -0.696 0.000 1.417 256 I CB -1.045 36.252 38.000 -1.171 0.000 1.078 256 I HN 0.363 nan 8.210 nan 0.000 0.421 257 G N -0.295 107.950 108.800 -0.925 0.000 2.446 257 G HA2 -0.261 3.699 3.960 0.001 0.000 0.217 257 G HA3 -0.261 3.699 3.960 0.001 0.000 0.217 257 G C 1.571 175.774 174.900 -1.163 0.000 1.168 257 G CA 0.870 45.089 45.100 -1.469 0.000 0.771 257 G HN 0.478 nan 8.290 nan 0.000 0.551 258 E N -0.051 119.636 120.200 -0.856 0.000 2.110 258 E HA -0.084 4.266 4.350 0.001 0.000 0.193 258 E C 2.744 179.128 176.600 -0.360 0.000 0.988 258 E CA 0.534 56.708 56.400 -0.378 0.000 0.804 258 E CB -0.064 29.487 29.700 -0.249 0.000 0.745 258 E HN 0.319 nan 8.360 nan 0.000 0.458 259 R N -0.112 120.098 120.500 -0.483 0.000 2.092 259 R HA -0.081 4.259 4.340 0.001 0.000 0.231 259 R C 2.408 178.447 176.300 -0.436 0.000 1.119 259 R CA 1.275 57.117 56.100 -0.429 0.000 0.970 259 R CB -0.256 29.755 30.300 -0.481 0.000 0.864 259 R HN 0.230 nan 8.270 nan 0.000 0.440 260 C N -0.316 118.654 119.300 -0.550 0.000 2.446 260 C HA 0.007 4.468 4.460 0.001 0.000 0.277 260 C C 2.848 177.547 174.990 -0.484 0.000 1.275 260 C CA 0.664 59.184 59.018 -0.829 0.000 1.727 260 C CB -0.858 26.359 27.740 -0.872 0.000 2.010 260 C HN 0.598 nan 8.230 nan 0.000 0.486 261 A N 0.648 123.330 122.820 -0.230 0.000 1.902 261 A HA -0.235 4.085 4.320 0.001 0.000 0.217 261 A C 2.244 179.796 177.584 -0.055 0.000 1.181 261 A CA 2.047 54.060 52.037 -0.041 0.000 0.623 261 A CB -0.603 18.442 19.000 0.074 0.000 0.818 261 A HN 0.690 nan 8.150 nan 0.000 0.443 262 K N -0.225 120.107 120.400 -0.114 0.000 2.097 262 K HA -0.078 4.242 4.320 0.001 0.000 0.206 262 K C 2.131 178.682 176.600 -0.082 0.000 1.049 262 K CA 1.216 57.448 56.287 -0.091 0.000 0.933 262 K CB -0.350 32.078 32.500 -0.119 0.000 0.717 262 K HN 0.341 nan 8.250 nan 0.000 0.442 263 A N 1.106 123.840 122.820 -0.143 0.000 1.908 263 A HA -0.192 4.128 4.320 0.001 0.000 0.218 263 A C 2.455 180.060 177.584 0.035 0.000 1.181 263 A CA 1.743 53.723 52.037 -0.096 0.000 0.627 263 A CB -1.093 17.783 19.000 -0.207 0.000 0.818 263 A HN 0.583 nan 8.150 nan 0.000 0.445 264 C N -1.258 118.094 119.300 0.087 0.000 2.413 264 C HA -0.096 4.365 4.460 0.001 0.000 0.276 264 C C 2.739 177.816 174.990 0.145 0.000 1.248 264 C CA 1.145 60.275 59.018 0.186 0.000 1.742 264 C CB -1.358 26.510 27.740 0.214 0.000 2.017 264 C HN 0.474 nan 8.230 nan 0.000 0.481 265 V N 1.182 121.142 119.914 0.078 0.000 2.343 265 V HA -0.205 3.916 4.120 0.001 0.000 0.247 265 V C 2.096 178.215 176.094 0.043 0.000 1.051 265 V CA 2.319 64.651 62.300 0.053 0.000 1.036 265 V CB -0.736 31.101 31.823 0.024 0.000 0.654 265 V HN 0.459 nan 8.190 nan 0.000 0.451 266 D N 0.456 120.872 120.400 0.026 0.000 2.117 266 D HA -0.119 4.522 4.640 0.001 0.000 0.197 266 D C 1.813 178.132 176.300 0.031 0.000 0.987 266 D CA 1.796 55.804 54.000 0.014 0.000 0.829 266 D CB -0.229 40.565 40.800 -0.011 0.000 0.961 266 D HN 0.675 nan 8.370 nan 0.000 0.460 267 I N -3.856 116.751 120.570 0.062 0.000 3.793 267 I HA 0.343 4.513 4.170 0.001 0.000 0.315 267 I C 1.115 177.292 176.117 0.100 0.000 1.275 267 I CA 0.336 61.683 61.300 0.079 0.000 1.214 267 I CB -0.019 38.041 38.000 0.099 0.000 1.018 267 I HN -0.014 nan 8.210 nan 0.000 0.439 268 G N 1.317 110.174 108.800 0.096 0.000 2.198 268 G HA2 -0.361 3.600 3.960 0.001 0.000 0.257 268 G HA3 -0.361 3.600 3.960 0.001 0.000 0.257 268 G C 0.030 174.988 174.900 0.096 0.000 1.042 268 G CA 0.197 45.342 45.100 0.075 0.000 0.791 268 G HN 0.651 nan 8.290 nan 0.000 0.502 269 Y N 0.459 120.780 120.300 0.034 0.000 2.597 269 Y HA 0.430 4.980 4.550 0.001 0.000 0.336 269 Y C 0.980 176.898 175.900 0.030 0.000 1.216 269 Y CA 0.261 58.383 58.100 0.037 0.000 1.463 269 Y CB 0.510 39.007 38.460 0.062 0.000 1.303 269 Y HN 0.336 nan 8.280 nan 0.000 0.576 270 R N 4.145 124.264 120.500 -0.634 0.000 2.502 270 R HA 0.550 4.891 4.340 0.001 0.000 0.300 270 R C -0.417 175.578 176.300 -0.508 0.000 0.984 270 R CA 0.284 56.156 56.100 -0.380 0.000 0.882 270 R CB 0.969 31.127 30.300 -0.237 0.000 1.180 270 R HN 1.009 nan 8.270 nan 0.000 0.444 271 G N 2.026 110.709 108.800 -0.194 0.000 2.447 271 G HA2 0.044 4.005 3.960 0.001 0.000 0.220 271 G HA3 0.044 4.005 3.960 0.001 0.000 0.220 271 G C -1.166 173.806 174.900 0.121 0.000 1.261 271 G CA -0.455 44.591 45.100 -0.091 0.000 1.000 271 G HN 0.813 nan 8.290 nan 0.000 0.515 272 A N -0.459 122.426 122.820 0.109 0.000 2.354 272 A HA 0.933 5.254 4.320 0.001 0.000 0.269 272 A C 0.830 178.587 177.584 0.288 0.000 1.109 272 A CA 1.165 53.302 52.037 0.166 0.000 0.800 272 A CB 0.928 19.970 19.000 0.069 0.000 1.045 272 A HN 2.541 nan 8.150 nan 0.000 0.489 273 G N -0.392 108.522 108.800 0.191 0.000 2.677 273 G HA2 0.603 4.563 3.960 0.001 0.000 0.291 273 G HA3 0.603 4.563 3.960 0.001 0.000 0.291 273 G C -1.141 173.700 174.900 -0.099 0.000 1.435 273 G CA -0.366 44.725 45.100 -0.015 0.000 0.826 273 G HN 0.788 nan 8.290 nan 0.000 0.491 274 T N 0.572 115.003 114.554 -0.205 0.000 2.921 274 T HA 0.511 4.861 4.350 0.001 0.000 0.297 274 T C -1.312 173.250 174.700 -0.230 0.000 1.013 274 T CA -0.186 61.857 62.100 -0.095 0.000 0.990 274 T CB 1.068 69.926 68.868 -0.018 0.000 1.023 274 T HN 0.290 nan 8.240 nan 0.000 0.447 275 F N 2.289 122.260 119.950 0.036 0.000 2.391 275 F HA 0.351 4.879 4.527 0.001 0.000 0.359 275 F C 1.066 176.842 175.800 -0.040 0.000 1.122 275 F CA -0.804 57.221 58.000 0.041 0.000 1.120 275 F CB 0.884 39.970 39.000 0.143 0.000 1.142 275 F HN 0.430 nan 8.300 nan 0.000 0.483 276 E N 3.849 123.995 120.200 -0.090 0.000 2.227 276 E HA 0.402 4.753 4.350 0.001 0.000 0.282 276 E C -1.166 175.255 176.600 -0.299 0.000 1.015 276 E CA -0.387 55.974 56.400 -0.064 0.000 0.823 276 E CB 1.214 30.929 29.700 0.026 0.000 1.081 276 E HN 0.343 nan 8.360 nan 0.000 0.396 277 F N 1.631 121.734 119.950 0.255 0.000 2.561 277 F HA 0.401 4.928 4.527 0.001 0.000 0.321 277 F C -0.092 175.938 175.800 0.383 0.000 1.065 277 F CA -0.962 57.244 58.000 0.343 0.000 0.934 277 F CB 1.073 40.377 39.000 0.507 0.000 1.215 277 F HN 0.165 nan 8.300 nan 0.000 0.471 278 L N 2.482 124.023 121.223 0.529 0.000 2.307 278 L HA 0.415 4.755 4.340 0.001 0.000 0.282 278 L C -1.075 176.105 176.870 0.516 0.000 1.051 278 L CA -0.529 54.559 54.840 0.414 0.000 0.804 278 L CB 1.276 43.472 42.059 0.229 0.000 1.197 278 L HN 0.539 nan 8.230 nan 0.000 0.431 279 F N 3.420 123.470 119.950 0.167 0.000 2.477 279 F HA 0.506 5.034 4.527 0.001 0.000 0.335 279 F C -0.344 175.439 175.800 -0.028 0.000 1.130 279 F CA -0.191 57.768 58.000 -0.069 0.000 0.948 279 F CB 1.209 40.033 39.000 -0.293 0.000 1.154 279 F HN 0.484 nan 8.300 nan 0.000 0.439 280 E N 4.775 124.661 120.200 -0.525 0.000 2.335 280 E HA 0.230 4.580 4.350 0.001 0.000 0.280 280 E C -0.965 175.362 176.600 -0.454 0.000 0.918 280 E CA -0.705 55.457 56.400 -0.397 0.000 0.765 280 E CB 1.142 30.774 29.700 -0.113 0.000 1.218 280 E HN 0.736 nan 8.360 nan 0.000 0.425 281 N N 2.419 120.879 118.700 -0.401 0.000 2.725 281 N HA -0.227 4.513 4.740 0.001 0.000 0.251 281 N C 0.545 175.824 175.510 -0.386 0.000 1.031 281 N CA 1.508 54.383 53.050 -0.292 0.000 0.720 281 N CB -1.457 36.941 38.487 -0.147 0.000 0.930 281 N HN 0.977 nan 8.380 nan 0.000 0.543 282 G N -1.264 107.138 108.800 -0.664 0.000 2.166 282 G HA2 -0.333 3.628 3.960 0.001 0.000 0.260 282 G HA3 -0.333 3.628 3.960 0.001 0.000 0.260 282 G C -0.246 174.395 174.900 -0.431 0.000 0.986 282 G CA 0.889 45.697 45.100 -0.486 0.000 0.683 282 G HN 0.538 nan 8.290 nan 0.000 0.527 283 E N -0.802 119.010 120.200 -0.648 0.000 2.222 283 E HA 0.592 4.943 4.350 0.001 0.000 0.267 283 E C -0.720 175.575 176.600 -0.507 0.000 0.884 283 E CA -0.777 55.356 56.400 -0.445 0.000 0.764 283 E CB 1.338 30.800 29.700 -0.397 0.000 1.169 283 E HN 0.128 nan 8.360 nan 0.000 0.413 284 F N 1.590 121.408 119.950 -0.220 0.000 2.404 284 F HA 0.328 4.855 4.527 0.001 0.000 0.339 284 F C -0.234 175.432 175.800 -0.222 0.000 1.105 284 F CA -0.466 57.499 58.000 -0.057 0.000 1.087 284 F CB 0.818 39.712 39.000 -0.177 0.000 1.143 284 F HN 0.315 nan 8.300 nan 0.000 0.491 285 Y N 3.369 124.057 120.300 0.646 0.000 2.327 285 Y HA 0.252 4.802 4.550 0.001 0.000 0.325 285 Y C -0.399 175.832 175.900 0.551 0.000 0.999 285 Y CA -1.316 57.093 58.100 0.515 0.000 1.195 285 Y CB 1.054 39.679 38.460 0.274 0.000 1.132 285 Y HN 0.478 nan 8.280 nan 0.000 0.455 286 F N 5.596 125.806 119.950 0.434 0.000 2.578 286 F HA 0.198 4.725 4.527 0.001 0.000 0.376 286 F C 0.810 176.624 175.800 0.023 0.000 1.085 286 F CA 0.125 58.063 58.000 -0.104 0.000 1.260 286 F CB 0.635 39.543 39.000 -0.152 0.000 1.095 286 F HN 0.570 nan 8.300 nan 0.000 0.573 287 I N 0.785 120.830 120.570 -0.875 0.000 4.197 287 I HA 0.376 4.546 4.170 0.001 0.000 0.307 287 I C -0.633 174.936 176.117 -0.914 0.000 1.236 287 I CA -0.095 60.845 61.300 -0.599 0.000 1.321 287 I CB 0.163 38.028 38.000 -0.226 0.000 1.309 287 I HN 0.594 nan 8.210 nan 0.000 0.450 288 E N 1.338 120.772 120.200 -1.276 0.000 2.416 288 E HA 0.457 4.807 4.350 0.001 0.000 0.280 288 E C -1.450 174.887 176.600 -0.438 0.000 1.055 288 E CA -0.938 55.015 56.400 -0.746 0.000 0.825 288 E CB 1.896 31.432 29.700 -0.272 0.000 1.312 288 E HN 0.165 nan 8.360 nan 0.000 0.452 289 M N 2.053 121.614 119.600 -0.064 0.000 2.311 289 M HA 0.432 4.912 4.480 0.001 0.000 0.325 289 M C -1.676 174.552 176.300 -0.120 0.000 1.061 289 M CA -0.721 54.507 55.300 -0.120 0.000 0.957 289 M CB 1.619 34.100 32.600 -0.199 0.000 1.646 289 M HN 0.472 nan 8.290 nan 0.000 0.434 290 N N 3.252 121.869 118.700 -0.138 0.000 2.426 290 N HA 0.233 4.973 4.740 0.001 0.000 0.257 290 N C -0.570 174.918 175.510 -0.036 0.000 1.002 290 N CA -0.112 52.906 53.050 -0.054 0.000 0.942 290 N CB 1.488 39.959 38.487 -0.027 0.000 1.112 290 N HN 0.625 nan 8.380 nan 0.000 0.499 291 T N 0.231 114.818 114.554 0.055 0.000 3.540 291 T HA 0.439 4.790 4.350 0.001 0.000 0.269 291 T C 0.367 175.185 174.700 0.196 0.000 1.481 291 T CA -0.696 61.517 62.100 0.189 0.000 1.224 291 T CB -0.429 68.580 68.868 0.235 0.000 1.192 291 T HN 0.716 nan 8.240 nan 0.000 0.756 292 R N -0.874 119.718 120.500 0.154 0.000 2.829 292 R HA 0.558 4.898 4.340 0.001 0.000 0.284 292 R C -1.627 174.739 176.300 0.110 0.000 1.006 292 R CA -1.203 54.972 56.100 0.126 0.000 0.844 292 R CB 0.173 30.563 30.300 0.149 0.000 1.309 292 R HN 0.134 nan 8.270 nan 0.000 0.494 293 I N 1.032 121.668 120.570 0.109 0.000 2.779 293 I HA 0.117 4.287 4.170 0.001 0.000 0.285 293 I C -0.301 175.923 176.117 0.177 0.000 1.134 293 I CA 0.464 61.824 61.300 0.100 0.000 1.398 293 I CB 0.937 38.951 38.000 0.023 0.000 1.404 293 I HN 0.525 nan 8.210 nan 0.000 0.587 294 Q N 3.559 123.456 119.800 0.162 0.000 2.351 294 Q HA 0.345 4.686 4.340 0.001 0.000 0.273 294 Q C 0.874 176.929 176.000 0.091 0.000 1.077 294 Q CA -0.905 54.943 55.803 0.074 0.000 0.843 294 Q CB 2.023 30.770 28.738 0.015 0.000 1.367 294 Q HN 0.528 nan 8.270 nan 0.000 0.449 295 V N 1.310 121.022 119.914 -0.335 0.000 2.278 295 V HA -0.305 3.816 4.120 0.001 0.000 0.251 295 V C 1.871 177.909 176.094 -0.093 0.000 1.062 295 V CA 2.454 64.557 62.300 -0.328 0.000 1.038 295 V CB -0.538 31.007 31.823 -0.464 0.000 0.646 295 V HN 0.859 nan 8.190 nan 0.000 0.447 296 E N 0.811 120.961 120.200 -0.084 0.000 2.494 296 E HA -0.178 4.173 4.350 0.001 0.000 0.193 296 E C 1.763 178.324 176.600 -0.065 0.000 1.074 296 E CA 0.634 56.986 56.400 -0.081 0.000 0.867 296 E CB -0.836 28.830 29.700 -0.058 0.000 0.924 296 E HN 0.925 nan 8.360 nan 0.000 0.502 297 H N 1.130 120.198 119.070 -0.004 0.000 2.394 297 H HA -0.019 4.538 4.556 0.001 0.000 0.297 297 H C -0.948 174.387 175.328 0.011 0.000 1.113 297 H CA 1.215 57.271 56.048 0.014 0.000 1.277 297 H CB -1.771 28.013 29.762 0.036 0.000 1.370 297 H HN 0.175 nan 8.280 nan 0.000 0.506 298 P HA -0.150 nan 4.420 nan 0.000 0.218 298 P C 2.312 179.561 177.300 -0.085 0.000 1.148 298 P CA 1.990 64.933 63.100 -0.261 0.000 0.822 298 P CB -0.261 31.255 31.700 -0.307 0.000 0.784 299 V N -3.576 116.301 119.914 -0.063 0.000 2.407 299 V HA -0.242 3.878 4.120 0.001 0.000 0.248 299 V C 1.929 178.019 176.094 -0.007 0.000 1.055 299 V CA 2.592 64.881 62.300 -0.019 0.000 1.049 299 V CB -2.269 29.540 31.823 -0.023 0.000 0.662 299 V HN 0.065 nan 8.190 nan 0.000 0.455 300 T N 0.395 114.950 114.554 0.002 0.000 2.777 300 T HA -0.133 4.217 4.350 0.001 0.000 0.266 300 T C 1.816 176.528 174.700 0.019 0.000 1.040 300 T CA 1.977 64.088 62.100 0.019 0.000 1.141 300 T CB -0.340 68.555 68.868 0.045 0.000 0.868 300 T HN 0.709 nan 8.240 nan 0.000 0.444 301 E N 0.768 120.984 120.200 0.028 0.000 2.077 301 E HA -0.116 4.235 4.350 0.001 0.000 0.193 301 E C 2.262 178.843 176.600 -0.031 0.000 0.989 301 E CA 0.993 57.404 56.400 0.017 0.000 0.800 301 E CB -0.177 29.550 29.700 0.045 0.000 0.746 301 E HN 0.338 nan 8.360 nan 0.000 0.452 302 M N 0.490 120.064 119.600 -0.043 0.000 2.108 302 M HA -0.128 4.352 4.480 0.001 0.000 0.261 302 M C 2.573 178.787 176.300 -0.142 0.000 1.066 302 M CA 1.384 56.610 55.300 -0.123 0.000 1.107 302 M CB -0.965 31.625 32.600 -0.015 0.000 1.356 302 M HN 0.237 nan 8.290 nan 0.000 0.406 303 I N -2.600 117.976 120.570 0.009 0.000 3.419 303 I HA 0.007 4.178 4.170 0.001 0.000 0.286 303 I C 1.734 177.872 176.117 0.035 0.000 1.268 303 I CA 1.209 62.556 61.300 0.079 0.000 1.414 303 I CB -0.540 37.510 38.000 0.082 0.000 1.074 303 I HN 0.252 nan 8.210 nan 0.000 0.457 304 T N -3.479 111.074 114.554 -0.001 0.000 2.971 304 T HA 0.417 4.768 4.350 0.001 0.000 0.252 304 T C 1.670 176.360 174.700 -0.016 0.000 1.022 304 T CA 0.492 62.590 62.100 -0.004 0.000 0.980 304 T CB 0.417 69.276 68.868 -0.015 0.000 1.044 304 T HN 0.573 nan 8.240 nan 0.000 0.501 305 G N 1.241 110.018 108.800 -0.038 0.000 2.184 305 G HA2 -0.241 3.719 3.960 0.001 0.000 0.264 305 G HA3 -0.241 3.719 3.960 0.001 0.000 0.264 305 G C 0.089 174.977 174.900 -0.020 0.000 0.975 305 G CA 0.147 45.224 45.100 -0.038 0.000 0.642 305 G HN 0.757 nan 8.290 nan 0.000 0.536 306 V N 1.439 121.345 119.914 -0.012 0.000 2.530 306 V HA 0.373 4.494 4.120 0.001 0.000 0.282 306 V C 0.359 176.462 176.094 0.014 0.000 1.048 306 V CA -0.486 61.812 62.300 -0.003 0.000 0.997 306 V CB 1.773 33.592 31.823 -0.007 0.000 0.987 306 V HN 0.326 nan 8.190 nan 0.000 0.477 307 D N 4.415 124.823 120.400 0.014 0.000 2.393 307 D HA 0.200 4.841 4.640 0.001 0.000 0.232 307 D C 0.896 177.209 176.300 0.022 0.000 1.192 307 D CA -0.015 54.000 54.000 0.026 0.000 0.882 307 D CB 1.159 41.969 40.800 0.017 0.000 1.038 307 D HN 0.463 nan 8.370 nan 0.000 0.499 308 L N 3.866 125.111 121.223 0.037 0.000 2.141 308 L HA -0.140 4.200 4.340 0.001 0.000 0.209 308 L C 2.112 178.964 176.870 -0.030 0.000 1.094 308 L CA 0.424 55.269 54.840 0.009 0.000 0.763 308 L CB -0.079 41.993 42.059 0.023 0.000 0.908 308 L HN 0.508 nan 8.230 nan 0.000 0.437 309 I N 0.024 120.563 120.570 -0.051 0.000 2.202 309 I HA -0.242 3.929 4.170 0.001 0.000 0.242 309 I C 2.444 178.560 176.117 -0.001 0.000 1.091 309 I CA 1.462 62.739 61.300 -0.040 0.000 1.368 309 I CB -0.979 36.978 38.000 -0.070 0.000 1.058 309 I HN 0.266 nan 8.210 nan 0.000 0.410 310 K N 0.568 120.967 120.400 -0.001 0.000 2.063 310 K HA -0.190 4.130 4.320 0.001 0.000 0.208 310 K C 1.936 178.534 176.600 -0.003 0.000 1.048 310 K CA 1.136 57.424 56.287 0.001 0.000 0.928 310 K CB -0.042 32.460 32.500 0.002 0.000 0.713 310 K HN 0.292 nan 8.250 nan 0.000 0.442 311 E N 1.044 121.242 120.200 -0.004 0.000 2.110 311 E HA -0.185 4.165 4.350 0.001 0.000 0.193 311 E C 2.033 178.623 176.600 -0.017 0.000 0.988 311 E CA 1.102 57.497 56.400 -0.007 0.000 0.804 311 E CB -0.133 29.566 29.700 -0.002 0.000 0.745 311 E HN 0.397 nan 8.360 nan 0.000 0.458 312 Q N 0.168 119.955 119.800 -0.021 0.000 2.096 312 Q HA -0.111 4.230 4.340 0.001 0.000 0.204 312 Q C 2.409 178.370 176.000 -0.065 0.000 0.982 312 Q CA 1.029 56.799 55.803 -0.055 0.000 0.850 312 Q CB -0.126 28.575 28.738 -0.062 0.000 0.901 312 Q HN 0.278 nan 8.270 nan 0.000 0.422 313 L N -0.304 120.902 121.223 -0.028 0.000 2.109 313 L HA -0.124 4.217 4.340 0.001 0.000 0.207 313 L C 2.438 179.293 176.870 -0.025 0.000 1.086 313 L CA 0.880 55.707 54.840 -0.022 0.000 0.760 313 L CB -0.234 41.829 42.059 0.007 0.000 0.910 313 L HN 0.117 nan 8.230 nan 0.000 0.437 314 R N 0.153 120.641 120.500 -0.020 0.000 2.075 314 R HA -0.088 4.253 4.340 0.001 0.000 0.232 314 R C 2.299 178.585 176.300 -0.024 0.000 1.126 314 R CA 1.282 57.371 56.100 -0.018 0.000 0.963 314 R CB -0.345 29.947 30.300 -0.013 0.000 0.858 314 R HN 0.269 nan 8.270 nan 0.000 0.435 315 I N 0.677 121.228 120.570 -0.031 0.000 2.208 315 I HA -0.280 3.890 4.170 0.001 0.000 0.245 315 I C 2.565 178.654 176.117 -0.048 0.000 1.097 315 I CA 1.338 62.615 61.300 -0.037 0.000 1.363 315 I CB -0.383 37.592 38.000 -0.043 0.000 1.051 315 I HN 0.210 nan 8.210 nan 0.000 0.413 316 A N 0.584 123.366 122.820 -0.063 0.000 1.972 316 A HA -0.092 4.228 4.320 0.001 0.000 0.219 316 A C 2.323 179.883 177.584 -0.039 0.000 1.169 316 A CA 1.655 53.651 52.037 -0.068 0.000 0.635 316 A CB -0.677 18.263 19.000 -0.100 0.000 0.810 316 A HN 0.437 nan 8.150 nan 0.000 0.446 317 A N -1.709 121.093 122.820 -0.029 0.000 2.252 317 A HA 0.411 4.731 4.320 0.001 0.000 0.207 317 A C 1.688 179.262 177.584 -0.017 0.000 1.194 317 A CA 1.146 53.172 52.037 -0.018 0.000 0.809 317 A CB -1.049 17.943 19.000 -0.013 0.000 0.814 317 A HN 1.882 nan 8.150 nan 0.000 0.482 318 G N -1.279 107.508 108.800 -0.021 0.000 2.141 318 G HA2 -0.233 3.728 3.960 0.001 0.000 0.242 318 G HA3 -0.233 3.728 3.960 0.001 0.000 0.242 318 G C -0.029 174.861 174.900 -0.016 0.000 0.982 318 G CA 0.168 45.257 45.100 -0.019 0.000 0.662 318 G HN 0.627 nan 8.290 nan 0.000 0.527 319 Q N 1.333 121.124 119.800 -0.016 0.000 2.286 319 Q HA 0.400 4.741 4.340 0.001 0.000 0.257 319 Q C -1.996 173.996 176.000 -0.013 0.000 0.941 319 Q CA -1.617 54.178 55.803 -0.013 0.000 0.912 319 Q CB 1.579 30.310 28.738 -0.012 0.000 1.192 319 Q HN 0.325 nan 8.270 nan 0.000 0.410 320 P HA 0.014 nan 4.420 nan 0.000 0.272 320 P C -0.432 176.863 177.300 -0.008 0.000 1.240 320 P CA -0.218 62.877 63.100 -0.008 0.000 0.791 320 P CB 0.765 32.461 31.700 -0.007 0.000 0.978 321 L N 1.368 122.588 121.223 -0.006 0.000 2.540 321 L HA -0.035 4.306 4.340 0.001 0.000 0.276 321 L C 1.868 178.730 176.870 -0.013 0.000 1.212 321 L CA 0.286 55.121 54.840 -0.008 0.000 0.893 321 L CB -0.027 42.028 42.059 -0.006 0.000 1.138 321 L HN 0.517 nan 8.230 nan 0.000 0.491 322 S N 2.678 118.369 115.700 -0.015 0.000 2.486 322 S HA 0.176 4.646 4.470 0.001 0.000 0.220 322 S C 0.605 175.191 174.600 -0.023 0.000 1.011 322 S CA -0.275 57.915 58.200 -0.016 0.000 0.921 322 S CB -0.029 63.163 63.200 -0.013 0.000 0.785 322 S HN 0.452 nan 8.310 nan 0.000 0.517 323 I N 2.724 123.277 120.570 -0.030 0.000 2.396 323 I HA 0.300 4.470 4.170 0.001 0.000 0.289 323 I C -0.118 175.964 176.117 -0.058 0.000 1.056 323 I CA -0.444 60.828 61.300 -0.046 0.000 1.365 323 I CB 0.656 38.624 38.000 -0.053 0.000 1.407 323 I HN -0.068 nan 8.210 nan 0.000 0.509 324 K N 4.112 124.472 120.400 -0.068 0.000 2.098 324 K HA 0.212 4.532 4.320 0.001 0.000 0.261 324 K C 0.548 177.073 176.600 -0.125 0.000 0.987 324 K CA -0.544 55.698 56.287 -0.076 0.000 0.916 324 K CB 0.929 33.395 32.500 -0.056 0.000 1.039 324 K HN 0.343 nan 8.250 nan 0.000 0.455 325 Q N 1.865 121.584 119.800 -0.135 0.000 2.084 325 Q HA -0.208 4.132 4.340 0.001 0.000 0.202 325 Q C 1.121 176.975 176.000 -0.243 0.000 0.978 325 Q CA 1.975 57.647 55.803 -0.218 0.000 0.844 325 Q CB 0.015 28.643 28.738 -0.183 0.000 0.898 325 Q HN 0.727 nan 8.270 nan 0.000 0.426 326 E N -0.366 119.739 120.200 -0.159 0.000 2.333 326 E HA -0.223 4.128 4.350 0.001 0.000 0.198 326 E C 0.963 177.423 176.600 -0.234 0.000 1.007 326 E CA 1.341 57.658 56.400 -0.138 0.000 0.845 326 E CB -0.161 29.511 29.700 -0.047 0.000 0.766 326 E HN 0.556 nan 8.360 nan 0.000 0.507 327 E N 0.764 120.815 120.200 -0.248 0.000 2.474 327 E HA 0.084 4.434 4.350 0.001 0.000 0.194 327 E C -0.240 176.086 176.600 -0.458 0.000 1.041 327 E CA -0.109 56.136 56.400 -0.258 0.000 0.874 327 E CB 0.903 30.537 29.700 -0.110 0.000 0.914 327 E HN 0.024 nan 8.360 nan 0.000 0.498 328 V N 1.769 121.364 119.914 -0.531 0.000 2.406 328 V HA 0.169 4.290 4.120 0.001 0.000 0.272 328 V C -0.601 175.141 176.094 -0.587 0.000 1.043 328 V CA -0.242 61.796 62.300 -0.437 0.000 0.915 328 V CB 0.516 32.127 31.823 -0.354 0.000 0.988 328 V HN 0.190 nan 8.190 nan 0.000 0.466 329 H N 1.884 120.923 119.070 -0.052 0.000 2.667 329 H HA 0.506 5.063 4.556 0.001 0.000 0.353 329 H C -0.651 174.672 175.328 -0.008 0.000 1.072 329 H CA -0.847 55.186 56.048 -0.025 0.000 1.214 329 H CB 1.951 31.706 29.762 -0.012 0.000 1.600 329 H HN 0.447 nan 8.280 nan 0.000 0.527 330 V N 3.732 123.719 119.914 0.122 0.000 2.508 330 V HA 0.221 4.342 4.120 0.001 0.000 0.281 330 V C 0.258 176.415 176.094 0.105 0.000 1.041 330 V CA 0.137 62.491 62.300 0.089 0.000 1.016 330 V CB 0.621 32.484 31.823 0.067 0.000 0.984 330 V HN 0.706 nan 8.190 nan 0.000 0.478 331 R N 3.640 124.211 120.500 0.118 0.000 2.533 331 R HA 0.596 4.936 4.340 0.001 0.000 0.288 331 R C 0.217 176.654 176.300 0.230 0.000 1.039 331 R CA 0.467 56.652 56.100 0.141 0.000 0.909 331 R CB 1.715 32.095 30.300 0.134 0.000 1.195 331 R HN 1.066 nan 8.270 nan 0.000 0.438 332 G N 2.217 111.109 108.800 0.154 0.000 2.598 332 G HA2 -0.301 3.659 3.960 0.001 0.000 0.244 332 G HA3 -0.301 3.659 3.960 0.001 0.000 0.244 332 G C -1.191 173.748 174.900 0.065 0.000 1.302 332 G CA 0.292 45.415 45.100 0.039 0.000 0.903 332 G HN 0.902 nan 8.290 nan 0.000 0.575 333 H N -0.936 118.003 119.070 -0.219 0.000 3.038 333 H HA 0.684 5.240 4.556 0.001 0.000 0.362 333 H C -0.158 175.118 175.328 -0.087 0.000 1.167 333 H CA 0.407 56.392 56.048 -0.106 0.000 1.197 333 H CB 1.556 31.235 29.762 -0.138 0.000 1.840 333 H HN 1.489 nan 8.280 nan 0.000 0.540 334 A N 3.428 126.228 122.820 -0.033 0.000 2.449 334 A HA 0.675 4.996 4.320 0.001 0.000 0.302 334 A C -1.495 176.146 177.584 0.095 0.000 1.048 334 A CA -0.581 51.518 52.037 0.103 0.000 0.708 334 A CB 1.455 20.542 19.000 0.145 0.000 1.274 334 A HN 0.411 nan 8.150 nan 0.000 0.410 335 V N 1.510 121.514 119.914 0.149 0.000 2.604 335 V HA 0.546 4.667 4.120 0.001 0.000 0.305 335 V C -0.178 175.984 176.094 0.114 0.000 1.043 335 V CA -0.506 61.892 62.300 0.163 0.000 0.888 335 V CB 1.686 33.652 31.823 0.238 0.000 0.995 335 V HN 0.977 nan 8.190 nan 0.000 0.429 336 E N 2.904 123.156 120.200 0.086 0.000 2.176 336 E HA 0.488 4.839 4.350 0.001 0.000 0.267 336 E C -1.513 175.119 176.600 0.054 0.000 0.893 336 E CA -0.458 55.976 56.400 0.056 0.000 0.761 336 E CB 1.557 31.264 29.700 0.011 0.000 1.133 336 E HN 0.751 nan 8.360 nan 0.000 0.409 337 C N 4.959 124.298 119.300 0.065 0.000 2.264 337 C HA 0.439 4.899 4.460 0.001 0.000 0.324 337 C C 0.172 175.202 174.990 0.066 0.000 1.267 337 C CA -0.734 58.319 59.018 0.059 0.000 1.618 337 C CB -0.070 27.715 27.740 0.074 0.000 2.278 337 C HN 0.731 nan 8.230 nan 0.000 0.499 338 R N 3.024 123.550 120.500 0.043 0.000 2.442 338 R HA 0.379 4.719 4.340 0.001 0.000 0.291 338 R C -0.422 175.928 176.300 0.084 0.000 1.069 338 R CA -0.081 56.044 56.100 0.043 0.000 1.022 338 R CB 0.396 30.708 30.300 0.020 0.000 0.976 338 R HN 0.528 nan 8.270 nan 0.000 0.443 339 I N 3.336 123.969 120.570 0.105 0.000 2.330 339 I HA 0.228 4.399 4.170 0.001 0.000 0.289 339 I C -0.417 175.776 176.117 0.127 0.000 1.001 339 I CA -0.763 60.629 61.300 0.154 0.000 1.193 339 I CB 1.027 39.188 38.000 0.269 0.000 1.345 339 I HN 0.559 nan 8.210 nan 0.000 0.461 340 N N 3.850 122.627 118.700 0.128 0.000 2.321 340 N HA 0.576 5.316 4.740 0.001 0.000 0.299 340 N C -0.161 175.422 175.510 0.121 0.000 1.048 340 N CA -0.547 52.576 53.050 0.121 0.000 0.836 340 N CB 2.075 40.636 38.487 0.123 0.000 1.269 340 N HN 0.660 nan 8.380 nan 0.000 0.486 341 A N 2.178 125.064 122.820 0.110 0.000 2.915 341 A HA 0.302 4.623 4.320 0.001 0.000 0.292 341 A C -0.206 177.426 177.584 0.081 0.000 1.632 341 A CA 0.037 52.127 52.037 0.089 0.000 1.337 341 A CB -0.797 18.251 19.000 0.081 0.000 1.111 341 A HN 0.751 nan 8.150 nan 0.000 0.569 342 E N 1.020 121.270 120.200 0.085 0.000 2.401 342 E HA 0.206 4.556 4.350 0.001 0.000 0.280 342 E C -1.692 174.925 176.600 0.029 0.000 1.039 342 E CA -0.971 55.480 56.400 0.086 0.000 0.814 342 E CB 0.661 30.465 29.700 0.173 0.000 1.275 342 E HN 0.251 nan 8.360 nan 0.000 0.448 343 D N 2.158 122.532 120.400 -0.043 0.000 2.425 343 D HA 0.042 4.682 4.640 0.001 0.000 0.247 343 D C -1.273 174.813 176.300 -0.355 0.000 1.147 343 D CA -1.535 52.371 54.000 -0.158 0.000 0.879 343 D CB 1.255 41.953 40.800 -0.170 0.000 1.179 343 D HN 0.217 nan 8.370 nan 0.000 0.456 344 P HA -0.061 nan 4.420 nan 0.000 0.234 344 P C 0.343 177.309 177.300 -0.557 0.000 1.167 344 P CA 0.731 63.657 63.100 -0.290 0.000 0.763 344 P CB 0.580 32.217 31.700 -0.106 0.000 0.835 345 N N -1.071 117.243 118.700 -0.645 0.000 2.612 345 N HA -0.014 4.726 4.740 0.001 0.000 0.224 345 N C 1.714 176.800 175.510 -0.707 0.000 1.051 345 N CA 1.614 54.329 53.050 -0.559 0.000 0.889 345 N CB -0.481 37.860 38.487 -0.244 0.000 1.449 345 N HN 0.187 nan 8.380 nan 0.000 0.442 346 T N -1.857 112.374 114.554 -0.538 0.000 3.057 346 T HA 0.121 4.472 4.350 0.001 0.000 0.254 346 T C 0.357 175.010 174.700 -0.079 0.000 1.094 346 T CA -0.026 61.940 62.100 -0.223 0.000 1.088 346 T CB -0.353 68.457 68.868 -0.097 0.000 0.934 346 T HN 0.125 nan 8.240 nan 0.000 0.497 347 F N -0.527 119.429 119.950 0.010 0.000 3.093 347 F HA -0.134 4.393 4.527 0.001 0.000 0.287 347 F C 0.249 176.055 175.800 0.010 0.000 0.882 347 F CA -0.449 57.559 58.000 0.013 0.000 1.063 347 F CB -2.590 36.419 39.000 0.016 0.000 1.097 347 F HN 0.313 nan 8.300 nan 0.000 0.604 348 L N 3.105 124.371 121.223 0.071 0.000 2.455 348 L HA 0.398 4.738 4.340 0.001 0.000 0.272 348 L C -1.788 175.110 176.870 0.046 0.000 1.174 348 L CA -1.345 53.523 54.840 0.047 0.000 0.869 348 L CB 0.166 42.229 42.059 0.007 0.000 1.130 348 L HN -0.256 nan 8.230 nan 0.000 0.474 349 P HA 0.066 nan 4.420 nan 0.000 0.269 349 P C -1.089 176.218 177.300 0.012 0.000 1.209 349 P CA -0.090 63.031 63.100 0.036 0.000 0.776 349 P CB 0.744 32.457 31.700 0.021 0.000 0.876 350 S N 2.469 118.177 115.700 0.015 0.000 2.060 350 S HA 0.356 4.827 4.470 0.001 0.000 0.156 350 S C -2.457 172.139 174.600 -0.006 0.000 1.690 350 S CA -1.711 56.489 58.200 0.000 0.000 1.238 350 S CB -0.317 62.887 63.200 0.008 0.000 1.150 350 S HN 0.243 nan 8.310 nan 0.000 0.437 351 P HA 0.591 nan 4.420 nan 0.000 0.272 351 P C 0.434 177.695 177.300 -0.065 0.000 1.240 351 P CA 0.356 63.422 63.100 -0.057 0.000 0.791 351 P CB 0.859 32.493 31.700 -0.109 0.000 0.978 352 G N -0.299 108.449 108.800 -0.088 0.000 2.357 352 G HA2 0.064 4.024 3.960 0.001 0.000 0.289 352 G HA3 0.064 4.024 3.960 0.001 0.000 0.289 352 G C -1.558 173.276 174.900 -0.110 0.000 1.302 352 G CA -0.855 44.191 45.100 -0.090 0.000 0.936 352 G HN 0.657 nan 8.290 nan 0.000 0.513 353 K N 0.214 120.561 120.400 -0.088 0.000 2.297 353 K HA 0.528 4.849 4.320 0.001 0.000 0.286 353 K C 0.230 176.805 176.600 -0.041 0.000 1.053 353 K CA -0.502 55.733 56.287 -0.088 0.000 0.940 353 K CB 0.276 32.742 32.500 -0.056 0.000 1.019 353 K HN 0.346 nan 8.250 nan 0.000 0.475 354 I N 5.254 125.800 120.570 -0.039 0.000 2.363 354 I HA -0.027 4.144 4.170 0.001 0.000 0.292 354 I C 1.414 177.564 176.117 0.054 0.000 1.075 354 I CA -0.104 61.210 61.300 0.024 0.000 1.333 354 I CB 1.056 39.074 38.000 0.031 0.000 1.415 354 I HN 0.819 nan 8.210 nan 0.000 0.502 355 T N 2.812 117.404 114.554 0.063 0.000 3.057 355 T HA 0.131 4.481 4.350 0.001 0.000 0.254 355 T C 0.763 175.519 174.700 0.094 0.000 1.094 355 T CA -0.013 62.127 62.100 0.067 0.000 1.088 355 T CB 0.225 69.120 68.868 0.045 0.000 0.934 355 T HN 0.554 nan 8.240 nan 0.000 0.497 356 R N -0.389 120.184 120.500 0.121 0.000 2.535 356 R HA 0.588 4.929 4.340 0.001 0.000 0.274 356 R C -2.424 174.013 176.300 0.229 0.000 1.090 356 R CA -0.972 55.214 56.100 0.142 0.000 0.930 356 R CB 1.632 31.981 30.300 0.081 0.000 1.223 356 R HN 0.272 nan 8.270 nan 0.000 0.441 357 F N 3.472 123.467 119.950 0.075 0.000 2.557 357 F HA 0.443 4.970 4.527 0.001 0.000 0.316 357 F C -1.581 174.279 175.800 0.099 0.000 1.141 357 F CA -0.578 57.465 58.000 0.071 0.000 0.922 357 F CB 1.688 40.739 39.000 0.085 0.000 1.194 357 F HN 0.717 nan 8.300 nan 0.000 0.443 358 H N 4.235 122.724 119.070 -0.968 0.000 2.782 358 H HA 0.736 5.293 4.556 0.001 0.000 0.347 358 H C -1.310 173.291 175.328 -1.212 0.000 1.038 358 H CA -0.329 55.174 56.048 -0.907 0.000 1.255 358 H CB 1.768 31.279 29.762 -0.418 0.000 1.623 358 H HN 0.875 nan 8.280 nan 0.000 0.525 359 A N 5.924 127.825 122.820 -1.531 0.000 2.316 359 A HA 0.503 4.823 4.320 0.001 0.000 0.284 359 A C -2.366 174.728 177.584 -0.817 0.000 1.115 359 A CA -1.503 49.809 52.037 -1.207 0.000 0.812 359 A CB 0.040 18.488 19.000 -0.920 0.000 1.064 359 A HN 0.633 nan 8.150 nan 0.000 0.489 360 P HA 0.446 nan 4.420 nan 0.000 0.274 360 P C 0.144 177.342 177.300 -0.169 0.000 1.237 360 P CA 0.150 63.085 63.100 -0.275 0.000 0.793 360 P CB 1.438 33.026 31.700 -0.186 0.000 0.977 361 G N -1.146 107.613 108.800 -0.068 0.000 3.105 361 G HA2 0.757 4.717 3.960 0.001 0.000 0.277 361 G HA3 0.757 4.717 3.960 0.001 0.000 0.277 361 G C -0.489 174.441 174.900 0.049 0.000 1.375 361 G CA -0.620 44.480 45.100 -0.001 0.000 0.962 361 G HN 0.822 nan 8.290 nan 0.000 0.541 362 G N -2.047 106.804 108.800 0.085 0.000 2.423 362 G HA2 0.388 4.348 3.960 0.001 0.000 0.684 362 G HA3 0.388 4.348 3.960 0.001 0.000 0.684 362 G C -0.839 174.190 174.900 0.214 0.000 1.309 362 G CA -0.449 44.729 45.100 0.130 0.000 0.950 362 G HN 1.356 nan 8.290 nan 0.000 0.587 363 F N 2.018 121.999 119.950 0.052 0.000 2.543 363 F HA 0.470 4.997 4.527 0.001 0.000 0.375 363 F C 1.614 177.472 175.800 0.096 0.000 1.075 363 F CA 0.785 58.826 58.000 0.068 0.000 1.225 363 F CB 0.683 39.720 39.000 0.061 0.000 1.099 363 F HN 2.204 nan 8.300 nan 0.000 0.561 364 G N 3.800 112.586 108.800 -0.023 0.000 2.162 364 G HA2 -0.189 3.772 3.960 0.001 0.000 0.260 364 G HA3 -0.189 3.772 3.960 0.001 0.000 0.260 364 G C -0.461 174.479 174.900 0.067 0.000 0.976 364 G CA 0.160 45.221 45.100 -0.066 0.000 0.655 364 G HN 0.781 nan 8.290 nan 0.000 0.533 365 V N 0.962 120.937 119.914 0.102 0.000 2.370 365 V HA 0.667 4.787 4.120 0.001 0.000 0.283 365 V C 0.539 176.716 176.094 0.138 0.000 1.023 365 V CA -0.521 61.849 62.300 0.116 0.000 0.857 365 V CB 1.567 33.452 31.823 0.103 0.000 0.985 365 V HN 0.468 nan 8.190 nan 0.000 0.443 366 R N 5.209 125.801 120.500 0.153 0.000 2.439 366 R HA 0.328 4.669 4.340 0.001 0.000 0.310 366 R C -1.381 175.066 176.300 0.245 0.000 0.955 366 R CA -0.573 55.622 56.100 0.160 0.000 0.853 366 R CB 1.346 31.701 30.300 0.092 0.000 1.171 366 R HN 0.836 nan 8.270 nan 0.000 0.449 367 W N 6.284 127.610 121.300 0.043 0.000 2.376 367 W HA 0.329 4.990 4.660 0.001 0.000 0.312 367 W C -1.221 175.331 176.519 0.055 0.000 1.060 367 W CA -0.588 56.790 57.345 0.056 0.000 1.221 367 W CB 1.677 31.178 29.460 0.069 0.000 1.281 367 W HN 0.531 nan 8.180 nan 0.000 0.456 368 E N 4.897 124.748 120.200 -0.582 0.000 2.255 368 E HA 0.257 4.608 4.350 0.001 0.000 0.245 368 E C -1.077 175.051 176.600 -0.787 0.000 0.909 368 E CA -0.155 55.940 56.400 -0.508 0.000 0.747 368 E CB 1.746 31.282 29.700 -0.273 0.000 1.215 368 E HN 0.325 nan 8.360 nan 0.000 0.424 369 S N 1.366 116.633 115.700 -0.721 0.000 2.543 369 S HA 0.168 4.638 4.470 0.001 0.000 0.274 369 S C 0.198 174.682 174.600 -0.193 0.000 1.149 369 S CA -0.646 57.245 58.200 -0.515 0.000 0.866 369 S CB 0.561 63.269 63.200 -0.821 0.000 1.111 369 S HN 0.588 nan 8.310 nan 0.000 0.457 370 H N 3.400 122.335 119.070 -0.225 0.000 2.548 370 H HA 0.290 4.846 4.556 0.001 0.000 0.265 370 H C 1.059 176.220 175.328 -0.279 0.000 0.969 370 H CA 0.174 56.106 56.048 -0.193 0.000 1.155 370 H CB -0.723 28.913 29.762 -0.211 0.000 1.394 370 H HN 0.667 nan 8.280 nan 0.000 0.570 371 I N -0.243 119.903 120.570 -0.707 0.000 2.882 371 I HA 0.376 4.546 4.170 0.001 0.000 0.286 371 I C -0.684 175.098 176.117 -0.559 0.000 1.139 371 I CA -0.953 59.882 61.300 -0.775 0.000 1.379 371 I CB 0.714 38.316 38.000 -0.665 0.000 1.410 371 I HN 0.057 nan 8.210 nan 0.000 0.594 372 Y N 2.587 122.607 120.300 -0.466 0.000 2.624 372 Y HA 0.721 5.272 4.550 0.001 0.000 0.334 372 Y C -0.642 175.263 175.900 0.008 0.000 1.155 372 Y CA -1.471 56.494 58.100 -0.225 0.000 1.046 372 Y CB 0.498 38.926 38.460 -0.053 0.000 1.316 372 Y HN 0.838 nan 8.280 nan 0.000 0.457 373 A N 1.401 124.448 122.820 0.379 0.000 2.524 373 A HA 0.458 4.778 4.320 0.001 0.000 0.250 373 A C 1.385 179.143 177.584 0.290 0.000 1.078 373 A CA 1.027 53.245 52.037 0.302 0.000 0.761 373 A CB -1.235 17.946 19.000 0.301 0.000 1.012 373 A HN 2.287 nan 8.150 nan 0.000 0.500 374 G N 0.831 109.722 108.800 0.152 0.000 2.213 374 G HA2 -0.257 3.703 3.960 0.001 0.000 0.236 374 G HA3 -0.257 3.703 3.960 0.001 0.000 0.236 374 G C 0.175 175.090 174.900 0.025 0.000 0.991 374 G CA 0.352 45.529 45.100 0.129 0.000 0.629 374 G HN 1.529 nan 8.290 nan 0.000 0.517 375 Y N 2.727 122.801 120.300 -0.377 0.000 2.425 375 Y HA 0.542 5.092 4.550 0.001 0.000 0.331 375 Y C 0.455 176.196 175.900 -0.267 0.000 1.157 375 Y CA 0.745 58.483 58.100 -0.604 0.000 1.372 375 Y CB 0.975 38.682 38.460 -1.254 0.000 1.253 375 Y HN 0.058 nan 8.280 nan 0.000 0.536 376 T N 6.678 120.674 114.554 -0.931 0.000 2.749 376 T HA 0.310 4.660 4.350 0.001 0.000 0.287 376 T C -0.751 173.345 174.700 -1.006 0.000 0.970 376 T CA -0.600 61.084 62.100 -0.694 0.000 0.980 376 T CB 0.461 69.118 68.868 -0.352 0.000 0.924 376 T HN 0.473 nan 8.240 nan 0.000 0.456 377 V N 8.117 127.727 119.914 -0.505 0.000 2.415 377 V HA 0.185 4.306 4.120 0.001 0.000 0.267 377 V C -1.876 174.152 176.094 -0.109 0.000 1.042 377 V CA -1.526 60.672 62.300 -0.170 0.000 1.000 377 V CB 0.045 31.870 31.823 0.004 0.000 1.015 377 V HN 0.696 nan 8.190 nan 0.000 0.478 378 P HA 0.249 nan 4.420 nan 0.000 0.274 378 P C -2.040 175.130 177.300 -0.216 0.000 1.237 378 P CA -1.787 61.272 63.100 -0.068 0.000 0.793 378 P CB 0.225 32.056 31.700 0.218 0.000 0.977 379 P HA -0.037 nan 4.420 nan 0.000 0.241 379 P C 0.562 177.555 177.300 -0.510 0.000 1.191 379 P CA 1.143 63.948 63.100 -0.492 0.000 0.771 379 P CB -0.127 31.253 31.700 -0.532 0.000 0.929 380 Y N -1.631 118.465 120.300 -0.341 0.000 2.519 380 Y HA 0.050 4.600 4.550 0.001 0.000 0.287 380 Y C 1.212 176.760 175.900 -0.586 0.000 1.128 380 Y CA 0.148 57.896 58.100 -0.587 0.000 1.282 380 Y CB -0.482 37.398 38.460 -0.967 0.000 1.027 380 Y HN -0.070 nan 8.280 nan 0.000 0.551 381 Y N -0.858 119.576 120.300 0.223 0.000 2.772 381 Y HA 0.319 4.870 4.550 0.001 0.000 0.324 381 Y C 0.241 176.208 175.900 0.111 0.000 1.169 381 Y CA -1.955 56.262 58.100 0.196 0.000 1.198 381 Y CB 0.322 38.925 38.460 0.238 0.000 1.402 381 Y HN -0.277 nan 8.280 nan 0.000 0.577 382 D N -0.166 120.391 120.400 0.261 0.000 2.361 382 D HA 0.030 4.670 4.640 0.001 0.000 0.239 382 D C 1.011 177.400 176.300 0.148 0.000 1.200 382 D CA 0.442 54.527 54.000 0.142 0.000 0.915 382 D CB 1.012 41.865 40.800 0.088 0.000 1.170 382 D HN 0.579 nan 8.370 nan 0.000 0.444 383 S N 0.421 116.187 115.700 0.110 0.000 2.461 383 S HA -0.060 4.411 4.470 0.001 0.000 0.228 383 S C 1.092 175.765 174.600 0.122 0.000 1.005 383 S CA -0.012 58.255 58.200 0.111 0.000 0.942 383 S CB -0.035 63.224 63.200 0.097 0.000 0.776 383 S HN 0.502 nan 8.310 nan 0.000 0.514 384 M N 2.841 122.510 119.600 0.115 0.000 2.307 384 M HA 0.244 4.725 4.480 0.001 0.000 0.346 384 M C 0.612 177.003 176.300 0.151 0.000 1.552 384 M CA 0.007 55.373 55.300 0.110 0.000 1.116 384 M CB 0.397 33.046 32.600 0.082 0.000 1.889 384 M HN 0.510 nan 8.290 nan 0.000 0.460 385 I N 1.520 122.169 120.570 0.132 0.000 4.070 385 I HA 0.565 4.736 4.170 0.001 0.000 0.328 385 I C 0.565 176.677 176.117 -0.008 0.000 1.298 385 I CA -0.225 61.148 61.300 0.123 0.000 1.173 385 I CB 0.334 38.371 38.000 0.062 0.000 1.051 385 I HN 0.644 nan 8.210 nan 0.000 0.409 386 G N 1.191 109.968 108.800 -0.038 0.000 2.523 386 G HA2 0.528 4.488 3.960 0.001 0.000 0.291 386 G HA3 0.528 4.488 3.960 0.001 0.000 0.291 386 G C -1.945 172.823 174.900 -0.220 0.000 1.450 386 G CA -0.896 44.031 45.100 -0.288 0.000 0.790 386 G HN 0.078 nan 8.290 nan 0.000 0.496 387 K N -0.089 120.075 120.400 -0.394 0.000 2.507 387 K HA 0.547 4.867 4.320 0.001 0.000 0.251 387 K C -1.608 174.933 176.600 -0.098 0.000 0.943 387 K CA -0.829 55.360 56.287 -0.163 0.000 0.794 387 K CB 2.912 35.331 32.500 -0.135 0.000 1.188 387 K HN 0.317 nan 8.250 nan 0.000 0.428 388 L N 4.320 125.638 121.223 0.157 0.000 2.287 388 L HA 0.510 4.851 4.340 0.001 0.000 0.287 388 L C -1.434 175.535 176.870 0.165 0.000 1.022 388 L CA -0.503 54.521 54.840 0.308 0.000 0.814 388 L CB 0.818 43.119 42.059 0.403 0.000 1.217 388 L HN 0.547 nan 8.230 nan 0.000 0.420 389 I N 5.039 125.697 120.570 0.146 0.000 2.418 389 I HA 0.402 4.573 4.170 0.001 0.000 0.287 389 I C -0.766 175.424 176.117 0.121 0.000 1.008 389 I CA -0.041 61.320 61.300 0.101 0.000 1.104 389 I CB 1.577 39.606 38.000 0.048 0.000 1.264 389 I HN 0.501 nan 8.210 nan 0.000 0.438 390 C N 5.419 124.791 119.300 0.120 0.000 2.379 390 C HA 0.532 4.992 4.460 0.001 0.000 0.323 390 C C -0.465 174.606 174.990 0.135 0.000 1.262 390 C CA -0.836 58.252 59.018 0.116 0.000 1.581 390 C CB 0.786 28.581 27.740 0.091 0.000 2.221 390 C HN 0.686 nan 8.230 nan 0.000 0.497 391 Y N 1.609 121.898 120.300 -0.018 0.000 2.446 391 Y HA 0.777 5.327 4.550 0.001 0.000 0.338 391 Y C 0.208 176.055 175.900 -0.089 0.000 1.055 391 Y CA 0.151 58.227 58.100 -0.039 0.000 1.101 391 Y CB 1.560 39.981 38.460 -0.066 0.000 1.221 391 Y HN 0.824 nan 8.280 nan 0.000 0.460 392 G N 3.156 111.367 108.800 -0.982 0.000 2.684 392 G HA2 0.201 4.161 3.960 0.001 0.000 0.290 392 G HA3 0.201 4.161 3.960 0.001 0.000 0.290 392 G C -0.428 173.907 174.900 -0.943 0.000 1.425 392 G CA -0.536 44.072 45.100 -0.819 0.000 0.822 392 G HN 0.645 nan 8.290 nan 0.000 0.482 393 E N -0.604 119.320 120.200 -0.459 0.000 2.265 393 E HA -0.107 4.243 4.350 0.001 0.000 0.196 393 E C 0.437 176.930 176.600 -0.179 0.000 0.996 393 E CA 1.290 57.550 56.400 -0.233 0.000 0.832 393 E CB -0.259 29.392 29.700 -0.082 0.000 0.756 393 E HN 0.523 nan 8.360 nan 0.000 0.491 394 N N -1.084 117.494 118.700 -0.204 0.000 2.853 394 N HA 0.171 4.911 4.740 0.001 0.000 0.258 394 N C 0.216 175.594 175.510 -0.219 0.000 1.444 394 N CA -0.818 52.134 53.050 -0.163 0.000 0.837 394 N CB 1.060 39.467 38.487 -0.135 0.000 1.489 394 N HN -0.166 nan 8.380 nan 0.000 0.529 395 R N -0.605 119.687 120.500 -0.346 0.000 2.081 395 R HA -0.114 4.226 4.340 0.001 0.000 0.235 395 R C 0.153 176.259 176.300 -0.324 0.000 1.131 395 R CA 1.840 57.587 56.100 -0.589 0.000 0.960 395 R CB -0.389 29.335 30.300 -0.961 0.000 0.856 395 R HN 0.625 nan 8.270 nan 0.000 0.436 396 D N -0.202 120.050 120.400 -0.246 0.000 2.144 396 D HA -0.130 4.511 4.640 0.001 0.000 0.199 396 D C 1.911 178.143 176.300 -0.114 0.000 0.984 396 D CA 1.129 55.032 54.000 -0.162 0.000 0.834 396 D CB -0.109 40.613 40.800 -0.130 0.000 0.955 396 D HN 0.101 nan 8.370 nan 0.000 0.465 397 V N 1.424 121.263 119.914 -0.126 0.000 2.295 397 V HA -0.231 3.889 4.120 0.001 0.000 0.246 397 V C 2.561 178.596 176.094 -0.098 0.000 1.049 397 V CA 1.738 63.974 62.300 -0.107 0.000 1.024 397 V CB -0.829 30.913 31.823 -0.136 0.000 0.648 397 V HN 0.178 nan 8.190 nan 0.000 0.447 398 A N -0.016 122.733 122.820 -0.119 0.000 1.892 398 A HA -0.229 4.092 4.320 0.001 0.000 0.218 398 A C 2.189 179.782 177.584 0.016 0.000 1.188 398 A CA 2.229 54.235 52.037 -0.052 0.000 0.631 398 A CB -0.594 18.407 19.000 0.002 0.000 0.822 398 A HN 0.519 nan 8.150 nan 0.000 0.447 399 I N -0.508 120.069 120.570 0.011 0.000 2.252 399 I HA -0.246 3.924 4.170 0.001 0.000 0.245 399 I C 2.989 179.143 176.117 0.062 0.000 1.102 399 I CA 0.929 62.277 61.300 0.080 0.000 1.385 399 I CB -0.369 37.671 38.000 0.067 0.000 1.064 399 I HN 0.365 nan 8.210 nan 0.000 0.414 400 A N 0.949 123.780 122.820 0.019 0.000 1.908 400 A HA -0.237 4.084 4.320 0.001 0.000 0.218 400 A C 2.391 179.991 177.584 0.026 0.000 1.181 400 A CA 1.703 53.751 52.037 0.019 0.000 0.627 400 A CB -0.607 18.392 19.000 -0.001 0.000 0.818 400 A HN 0.325 nan 8.150 nan 0.000 0.445 401 R N -1.985 118.527 120.500 0.019 0.000 2.092 401 R HA -0.081 4.259 4.340 0.001 0.000 0.231 401 R C 2.196 178.524 176.300 0.047 0.000 1.119 401 R CA 1.554 57.671 56.100 0.028 0.000 0.970 401 R CB -0.341 29.967 30.300 0.012 0.000 0.864 401 R HN 0.562 nan 8.270 nan 0.000 0.440 402 M N 1.375 121.012 119.600 0.062 0.000 2.117 402 M HA -0.138 4.342 4.480 0.001 0.000 0.262 402 M C 1.612 177.950 176.300 0.063 0.000 1.065 402 M CA 1.786 57.132 55.300 0.077 0.000 1.114 402 M CB 0.010 32.672 32.600 0.103 0.000 1.361 402 M HN -0.129 nan 8.290 nan 0.000 0.408 403 K N -0.209 120.227 120.400 0.061 0.000 2.032 403 K HA -0.168 4.152 4.320 0.001 0.000 0.209 403 K C 1.833 178.453 176.600 0.034 0.000 1.048 403 K CA 2.096 58.412 56.287 0.049 0.000 0.927 403 K CB -0.467 32.063 32.500 0.050 0.000 0.712 403 K HN 0.588 nan 8.250 nan 0.000 0.441 404 N N 0.232 118.952 118.700 0.032 0.000 2.106 404 N HA -0.143 4.597 4.740 0.001 0.000 0.188 404 N C 1.916 177.435 175.510 0.016 0.000 1.029 404 N CA 0.779 53.843 53.050 0.023 0.000 0.848 404 N CB -0.120 38.383 38.487 0.027 0.000 1.007 404 N HN 0.174 nan 8.380 nan 0.000 0.423 405 A N 1.540 124.373 122.820 0.022 0.000 1.902 405 A HA -0.101 4.220 4.320 0.001 0.000 0.217 405 A C 2.172 179.748 177.584 -0.013 0.000 1.181 405 A CA 1.079 53.120 52.037 0.007 0.000 0.623 405 A CB -0.788 18.234 19.000 0.037 0.000 0.818 405 A HN 0.170 nan 8.150 nan 0.000 0.443 406 L N -0.658 120.573 121.223 0.014 0.000 2.083 406 L HA -0.225 4.115 4.340 0.001 0.000 0.209 406 L C 2.808 179.674 176.870 -0.006 0.000 1.083 406 L CA 1.131 55.978 54.840 0.012 0.000 0.752 406 L CB -0.440 41.639 42.059 0.033 0.000 0.899 406 L HN 0.401 nan 8.230 nan 0.000 0.433 407 Q N -0.098 119.700 119.800 -0.004 0.000 2.167 407 Q HA -0.184 4.157 4.340 0.001 0.000 0.202 407 Q C 1.950 177.935 176.000 -0.025 0.000 0.970 407 Q CA 1.251 57.048 55.803 -0.009 0.000 0.855 407 Q CB -0.050 28.687 28.738 -0.001 0.000 0.911 407 Q HN 0.607 nan 8.270 nan 0.000 0.438 408 E N 0.210 120.389 120.200 -0.034 0.000 2.285 408 E HA -0.052 4.299 4.350 0.001 0.000 0.194 408 E C 0.201 176.753 176.600 -0.079 0.000 0.997 408 E CA -0.261 56.116 56.400 -0.038 0.000 0.845 408 E CB 0.161 29.843 29.700 -0.029 0.000 0.782 408 E HN 0.030 nan 8.360 nan 0.000 0.491 409 L N 2.015 123.160 121.223 -0.130 0.000 2.500 409 L HA 0.131 4.472 4.340 0.001 0.000 0.272 409 L C -0.628 176.163 176.870 -0.132 0.000 1.149 409 L CA 0.677 55.386 54.840 -0.218 0.000 0.897 409 L CB 0.199 42.141 42.059 -0.195 0.000 1.178 409 L HN -0.075 nan 8.230 nan 0.000 0.473 410 I N 7.011 127.478 120.570 -0.171 0.000 2.389 410 I HA 0.378 4.549 4.170 0.001 0.000 0.288 410 I C -0.559 175.576 176.117 0.029 0.000 0.999 410 I CA -0.302 60.958 61.300 -0.066 0.000 1.129 410 I CB 1.252 39.217 38.000 -0.057 0.000 1.288 410 I HN 0.505 nan 8.210 nan 0.000 0.444 411 I N 5.548 126.184 120.570 0.110 0.000 2.517 411 I HA 0.293 4.464 4.170 0.001 0.000 0.280 411 I C -1.262 174.927 176.117 0.120 0.000 1.061 411 I CA -0.514 60.908 61.300 0.203 0.000 1.091 411 I CB 1.313 39.452 38.000 0.232 0.000 1.205 411 I HN 0.406 nan 8.210 nan 0.000 0.459 412 D N 3.660 124.126 120.400 0.111 0.000 2.228 412 D HA 0.659 5.300 4.640 0.001 0.000 0.247 412 D C 0.970 177.306 176.300 0.060 0.000 0.995 412 D CA 0.297 54.337 54.000 0.068 0.000 0.903 412 D CB 2.241 43.073 40.800 0.054 0.000 1.205 412 D HN 0.756 nan 8.370 nan 0.000 0.459 413 G N 0.293 109.115 108.800 0.037 0.000 2.259 413 G HA2 -0.183 3.778 3.960 0.001 0.000 0.217 413 G HA3 -0.183 3.778 3.960 0.001 0.000 0.217 413 G C 0.249 175.156 174.900 0.012 0.000 1.001 413 G CA 0.312 45.425 45.100 0.022 0.000 0.627 413 G HN 0.616 nan 8.290 nan 0.000 0.501 414 I N -2.717 117.866 120.570 0.022 0.000 2.969 414 I HA 0.796 4.967 4.170 0.001 0.000 0.307 414 I C -0.523 175.609 176.117 0.024 0.000 1.149 414 I CA -1.681 59.629 61.300 0.017 0.000 1.008 414 I CB 1.764 39.775 38.000 0.019 0.000 1.232 414 I HN -0.229 nan 8.210 nan 0.000 0.435 415 K N 2.699 123.108 120.400 0.015 0.000 2.270 415 K HA 0.478 4.798 4.320 0.001 0.000 0.276 415 K C -0.009 176.612 176.600 0.034 0.000 1.023 415 K CA -0.152 56.142 56.287 0.012 0.000 0.955 415 K CB 1.287 33.780 32.500 -0.011 0.000 0.975 415 K HN 0.955 nan 8.250 nan 0.000 0.471 416 T N -2.008 112.570 114.554 0.040 0.000 2.864 416 T HA 0.266 4.617 4.350 0.001 0.000 0.289 416 T C 0.553 175.289 174.700 0.060 0.000 1.082 416 T CA -0.914 61.227 62.100 0.069 0.000 1.009 416 T CB 0.990 69.916 68.868 0.097 0.000 1.234 416 T HN 0.459 nan 8.240 nan 0.000 0.526 417 N N 0.447 119.204 118.700 0.096 0.000 2.314 417 N HA 0.037 4.777 4.740 0.001 0.000 0.200 417 N C 1.346 176.909 175.510 0.089 0.000 1.135 417 N CA -0.139 52.975 53.050 0.107 0.000 0.835 417 N CB -0.617 37.976 38.487 0.178 0.000 0.989 417 N HN 0.381 nan 8.380 nan 0.000 0.478 418 V N 0.936 120.898 119.914 0.080 0.000 2.332 418 V HA -0.256 3.864 4.120 0.001 0.000 0.248 418 V C 1.699 177.821 176.094 0.047 0.000 1.055 418 V CA 2.096 64.438 62.300 0.070 0.000 1.038 418 V CB -0.439 31.424 31.823 0.067 0.000 0.651 418 V HN 0.265 nan 8.190 nan 0.000 0.450 419 D N -0.355 120.066 120.400 0.034 0.000 2.144 419 D HA -0.142 4.499 4.640 0.001 0.000 0.199 419 D C 1.954 178.270 176.300 0.026 0.000 0.984 419 D CA 1.052 55.065 54.000 0.021 0.000 0.834 419 D CB -0.314 40.490 40.800 0.006 0.000 0.955 419 D HN 0.352 nan 8.370 nan 0.000 0.465 420 L N 1.119 122.366 121.223 0.040 0.000 2.012 420 L HA -0.202 4.138 4.340 0.001 0.000 0.210 420 L C 2.018 178.911 176.870 0.037 0.000 1.073 420 L CA 1.770 56.645 54.840 0.060 0.000 0.748 420 L CB -0.621 41.512 42.059 0.123 0.000 0.891 420 L HN -0.064 nan 8.230 nan 0.000 0.431 421 Q N -0.365 119.456 119.800 0.035 0.000 2.124 421 Q HA -0.156 4.184 4.340 0.001 0.000 0.202 421 Q C 2.402 178.395 176.000 -0.012 0.000 0.977 421 Q CA 2.026 57.831 55.803 0.003 0.000 0.850 421 Q CB -0.320 28.436 28.738 0.029 0.000 0.901 421 Q HN 0.621 nan 8.270 nan 0.000 0.429 422 I N 0.388 120.966 120.570 0.013 0.000 2.226 422 I HA -0.295 3.875 4.170 0.001 0.000 0.245 422 I C 2.569 178.695 176.117 0.016 0.000 1.100 422 I CA 1.157 62.467 61.300 0.017 0.000 1.374 422 I CB -0.231 37.782 38.000 0.022 0.000 1.057 422 I HN 0.147 nan 8.210 nan 0.000 0.413 423 R N 0.574 121.084 120.500 0.017 0.000 2.091 423 R HA -0.143 4.198 4.340 0.001 0.000 0.238 423 R C 2.321 178.634 176.300 0.021 0.000 1.136 423 R CA 1.488 57.605 56.100 0.027 0.000 0.959 423 R CB -0.325 29.995 30.300 0.033 0.000 0.856 423 R HN 0.363 nan 8.270 nan 0.000 0.437 424 I N 0.251 120.801 120.570 -0.033 0.000 2.252 424 I HA -0.273 3.898 4.170 0.001 0.000 0.245 424 I C 2.206 178.198 176.117 -0.208 0.000 1.102 424 I CA 0.941 62.162 61.300 -0.131 0.000 1.385 424 I CB -0.168 37.680 38.000 -0.253 0.000 1.064 424 I HN 0.153 nan 8.210 nan 0.000 0.414 425 M N 0.156 119.670 119.600 -0.143 0.000 2.213 425 M HA -0.158 4.322 4.480 0.001 0.000 0.263 425 M C 1.601 178.014 176.300 0.188 0.000 1.062 425 M CA 1.514 56.843 55.300 0.047 0.000 1.105 425 M CB -1.381 31.261 32.600 0.071 0.000 1.385 425 M HN 0.244 nan 8.290 nan 0.000 0.417 426 N N 0.693 119.460 118.700 0.111 0.000 2.461 426 N HA -0.041 4.699 4.740 0.001 0.000 0.188 426 N C 0.179 175.771 175.510 0.137 0.000 1.134 426 N CA 0.236 53.354 53.050 0.112 0.000 0.878 426 N CB -0.076 38.454 38.487 0.073 0.000 0.972 426 N HN 0.381 nan 8.380 nan 0.000 0.456 427 D N 1.166 121.675 120.400 0.181 0.000 2.383 427 D HA -0.001 4.639 4.640 0.001 0.000 0.252 427 D C 0.583 177.006 176.300 0.206 0.000 1.166 427 D CA 0.127 54.251 54.000 0.206 0.000 0.879 427 D CB 1.194 42.149 40.800 0.259 0.000 1.164 427 D HN 0.162 nan 8.370 nan 0.000 0.462 428 E N 2.733 123.019 120.200 0.144 0.000 2.150 428 E HA -0.155 4.196 4.350 0.001 0.000 0.193 428 E C 1.322 177.965 176.600 0.071 0.000 0.985 428 E CA 0.650 57.107 56.400 0.096 0.000 0.814 428 E CB 0.242 29.985 29.700 0.071 0.000 0.752 428 E HN 0.490 nan 8.360 nan 0.000 0.466 429 N N 0.564 119.294 118.700 0.050 0.000 2.171 429 N HA -0.136 4.605 4.740 0.001 0.000 0.184 429 N C 1.704 177.171 175.510 -0.072 0.000 1.021 429 N CA 0.760 53.763 53.050 -0.079 0.000 0.854 429 N CB -0.396 37.926 38.487 -0.275 0.000 0.994 429 N HN 0.140 nan 8.380 nan 0.000 0.426 430 F N 2.354 122.208 119.950 -0.160 0.000 2.095 430 F HA -0.220 4.308 4.527 0.001 0.000 0.298 430 F C 2.439 178.220 175.800 -0.033 0.000 1.104 430 F CA 1.513 59.459 58.000 -0.090 0.000 1.232 430 F CB -0.152 38.837 39.000 -0.019 0.000 0.987 430 F HN 0.011 nan 8.300 nan 0.000 0.475 431 Q N -0.748 118.986 119.800 -0.109 0.000 2.135 431 Q HA -0.294 4.047 4.340 0.001 0.000 0.204 431 Q C 2.302 178.179 176.000 -0.203 0.000 0.981 431 Q CA 1.762 57.441 55.803 -0.206 0.000 0.856 431 Q CB -0.622 28.107 28.738 -0.016 0.000 0.902 431 Q HN 0.609 nan 8.270 nan 0.000 0.425 432 H N -0.205 118.754 119.070 -0.185 0.000 2.321 432 H HA -0.032 4.525 4.556 0.001 0.000 0.300 432 H C 0.671 175.879 175.328 -0.201 0.000 1.087 432 H CA 1.636 57.589 56.048 -0.159 0.000 1.319 432 H CB 0.111 29.809 29.762 -0.108 0.000 1.379 432 H HN 0.285 nan 8.280 nan 0.000 0.501 433 G N -2.163 106.543 108.800 -0.157 0.000 2.619 433 G HA2 0.126 4.086 3.960 0.001 0.000 0.686 433 G HA3 0.126 4.086 3.960 0.001 0.000 0.686 433 G C 0.601 175.486 174.900 -0.024 0.000 1.256 433 G CA 0.224 45.202 45.100 -0.204 0.000 0.826 433 G HN 1.048 nan 8.290 nan 0.000 0.619 434 G N -1.262 107.528 108.800 -0.017 0.000 2.143 434 G HA2 0.168 4.129 3.960 0.001 0.000 0.248 434 G HA3 0.168 4.129 3.960 0.001 0.000 0.248 434 G C 0.975 175.906 174.900 0.051 0.000 0.991 434 G CA 1.422 46.550 45.100 0.045 0.000 0.689 434 G HN 2.784 nan 8.290 nan 0.000 0.522 435 T N -0.561 113.999 114.554 0.010 0.000 2.900 435 T HA 0.464 4.814 4.350 0.001 0.000 0.307 435 T C 0.781 175.524 174.700 0.072 0.000 1.065 435 T CA 0.248 62.335 62.100 -0.022 0.000 1.105 435 T CB 1.335 70.074 68.868 -0.216 0.000 0.979 435 T HN 0.960 nan 8.240 nan 0.000 0.544 436 N N 1.411 120.175 118.700 0.106 0.000 2.405 436 N HA 0.236 4.976 4.740 0.001 0.000 0.269 436 N C 1.282 176.835 175.510 0.072 0.000 1.249 436 N CA -0.821 52.287 53.050 0.096 0.000 0.974 436 N CB 0.046 38.592 38.487 0.099 0.000 1.204 436 N HN 0.798 nan 8.380 nan 0.000 0.565 437 I N -4.122 116.406 120.570 -0.071 0.000 2.756 437 I HA -0.073 4.097 4.170 0.001 0.000 0.262 437 I C 0.718 176.689 176.117 -0.244 0.000 1.225 437 I CA 1.113 62.298 61.300 -0.192 0.000 1.472 437 I CB -0.455 37.341 38.000 -0.340 0.000 1.094 437 I HN 0.416 nan 8.210 nan 0.000 0.454 438 H N -0.793 118.327 119.070 0.082 0.000 2.553 438 H HA 0.044 4.600 4.556 0.001 0.000 0.265 438 H C 1.591 176.968 175.328 0.082 0.000 0.964 438 H CA 0.483 56.570 56.048 0.065 0.000 1.156 438 H CB -0.175 29.620 29.762 0.055 0.000 1.411 438 H HN 0.427 nan 8.280 nan 0.000 0.558 439 Y N 1.690 122.055 120.300 0.109 0.000 2.081 439 Y HA -0.266 4.285 4.550 0.001 0.000 0.280 439 Y C 2.395 178.339 175.900 0.074 0.000 1.163 439 Y CA 1.278 59.434 58.100 0.092 0.000 1.135 439 Y CB -0.397 38.117 38.460 0.090 0.000 0.970 439 Y HN 0.100 nan 8.280 nan 0.000 0.498 440 L N 0.742 121.999 121.223 0.058 0.000 2.017 440 L HA -0.192 4.148 4.340 0.001 0.000 0.208 440 L C 2.140 178.962 176.870 -0.079 0.000 1.073 440 L CA 2.097 56.923 54.840 -0.023 0.000 0.745 440 L CB -0.941 41.144 42.059 0.044 0.000 0.894 440 L HN 0.315 nan 8.230 nan 0.000 0.432 441 E N -0.462 119.721 120.200 -0.029 0.000 2.110 441 E HA -0.267 4.083 4.350 0.001 0.000 0.193 441 E C 2.034 178.610 176.600 -0.041 0.000 0.988 441 E CA 1.631 58.023 56.400 -0.013 0.000 0.804 441 E CB -0.098 29.623 29.700 0.035 0.000 0.745 441 E HN 0.639 nan 8.360 nan 0.000 0.458 442 K N 0.972 121.322 120.400 -0.083 0.000 2.186 442 K HA -0.057 4.264 4.320 0.001 0.000 0.202 442 K C 2.052 178.545 176.600 -0.178 0.000 1.052 442 K CA 0.878 57.100 56.287 -0.108 0.000 0.965 442 K CB 0.003 32.454 32.500 -0.082 0.000 0.746 442 K HN -0.116 nan 8.250 nan 0.000 0.457 443 K N 1.687 121.890 120.400 -0.328 0.000 2.032 443 K HA -0.081 4.240 4.320 0.001 0.000 0.209 443 K C 1.763 178.295 176.600 -0.113 0.000 1.048 443 K CA 1.254 57.365 56.287 -0.293 0.000 0.927 443 K CB -0.116 32.137 32.500 -0.411 0.000 0.712 443 K HN 0.229 nan 8.250 nan 0.000 0.441 444 L N 1.167 122.349 121.223 -0.069 0.000 2.599 444 L HA 0.103 4.444 4.340 0.001 0.000 0.230 444 L C 1.304 178.178 176.870 0.006 0.000 1.141 444 L CA -0.266 54.576 54.840 0.002 0.000 0.877 444 L CB -0.353 41.743 42.059 0.061 0.000 1.009 444 L HN 0.220 nan 8.230 nan 0.000 0.447 445 G N 0.000 108.788 108.800 -0.021 0.000 5.446 445 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 445 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 445 G CA 0.000 45.094 45.100 -0.010 0.000 0.502 445 G HN 0.000 nan 8.290 nan 0.000 0.925