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 1kmm_1_D DATA FIRST_RESID 4 DATA SEQUENCE NIQAIRGMND YLPGETAIWQ RIEGTLKNVL GSYGYSEIRL PIVEQTPLFK DATA SEQUENCE RAIGEVTDVV EKEMYTFEDR NGDSLTLRPE GTAGCVRAGI EHGLLYNQEQ DATA SEQUENCE RLWYIGPMFR HERPQKGRYR QFHQLGCEVF GLQGPDIDAE LIMLTARWWR DATA SEQUENCE ALGISEHVTL ELNSIGXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXLDEES REHFAGLCKL LESAGIAYTV DATA SEQUENCE NQRLVRGLDY YNRTVFEWVT NSLGSQGTVC AGGRYDGLVE QLGGRATPAV DATA SEQUENCE GFAMGLERLV LLVQAVNPEF KADPVVDIYL VASGADTQSA AMALAERLRD DATA SEQUENCE ELPGVKLMTN HGGGNFKKQF ARADKWGARV AVVLGESEVA NGTAVVKDLR DATA SEQUENCE SGEQTAVAQD SVAAHLRTLL G 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 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.509 175.510 -0.002 0.000 1.280 4 N CA 0.000 53.049 53.050 -0.002 0.000 0.885 4 N CB 0.000 38.487 38.487 -0.001 0.000 1.341 5 I N 2.230 122.798 120.570 -0.004 0.000 2.441 5 I HA 0.114 nan 4.170 nan 0.000 0.287 5 I C -0.124 175.989 176.117 -0.007 0.000 1.049 5 I CA -0.100 61.197 61.300 -0.005 0.000 1.381 5 I CB 0.599 38.594 38.000 -0.008 0.000 1.409 5 I HN 0.069 8.276 8.210 -0.005 0.000 0.523 6 Q N 5.492 125.289 119.800 -0.005 0.000 2.171 6 Q HA 0.114 nan 4.340 nan 0.000 0.217 6 Q C -1.006 174.987 176.000 -0.011 0.000 0.995 6 Q CA -1.008 54.791 55.803 -0.007 0.000 0.979 6 Q CB 1.003 29.740 28.738 -0.002 0.000 1.152 6 Q HN 0.280 8.549 8.270 -0.002 0.000 0.525 7 A N 0.056 122.866 122.820 -0.017 0.000 2.304 7 A HA 0.080 nan 4.320 nan 0.000 0.271 7 A C -0.458 177.121 177.584 -0.008 0.000 1.091 7 A CA -0.559 51.465 52.037 -0.022 0.000 0.812 7 A CB 0.663 19.638 19.000 -0.042 0.000 1.056 7 A HN 0.105 8.244 8.150 -0.018 0.000 0.489 8 I N 0.311 120.878 120.570 -0.005 0.000 2.683 8 I HA -0.095 nan 4.170 nan 0.000 0.286 8 I C 0.577 176.706 176.117 0.018 0.000 1.175 8 I CA -0.328 60.981 61.300 0.015 0.000 1.429 8 I CB 0.001 38.014 38.000 0.021 0.000 1.371 8 I HN 0.105 8.307 8.210 -0.013 0.000 0.569 9 R N 7.556 128.074 120.500 0.029 0.000 2.698 9 R HA -0.180 nan 4.340 nan 0.000 0.266 9 R C 0.776 177.105 176.300 0.048 0.000 1.026 9 R CA 1.712 57.833 56.100 0.035 0.000 1.102 9 R CB 0.435 30.757 30.300 0.037 0.000 0.978 9 R HN 0.437 8.727 8.270 0.034 0.000 0.436 10 G N 2.867 111.710 108.800 0.072 0.000 2.179 10 G HA2 -0.384 nan 3.960 nan 0.000 0.260 10 G HA3 -0.384 nan 3.960 nan 0.000 0.260 10 G C -0.845 174.127 174.900 0.119 0.000 0.977 10 G CA 0.457 45.636 45.100 0.131 0.000 0.641 10 G HN 0.583 8.914 8.290 0.068 0.000 0.533 11 M N 0.390 120.009 119.600 0.031 0.000 2.134 11 M HA 0.158 nan 4.480 nan 0.000 0.310 11 M C -1.729 174.496 176.300 -0.124 0.000 0.966 11 M CA -0.472 54.809 55.300 -0.032 0.000 0.922 11 M CB 1.588 34.179 32.600 -0.015 0.000 1.537 11 M HN -0.628 7.596 8.290 0.022 0.079 0.424 12 N N 3.606 122.151 118.700 -0.259 0.000 2.489 12 N HA 0.141 nan 4.740 nan 0.000 0.284 12 N C -1.483 173.678 175.510 -0.581 0.000 1.158 12 N CA -0.385 52.397 53.050 -0.446 0.000 0.965 12 N CB 1.115 39.186 38.487 -0.694 0.000 1.195 12 N HN 0.158 8.384 8.380 -0.257 0.000 0.506 13 D N 0.535 120.615 120.400 -0.533 0.000 2.198 13 D HA 0.121 nan 4.640 nan 0.000 0.247 13 D C -0.758 175.166 176.300 -0.628 0.000 1.010 13 D CA 0.135 53.874 54.000 -0.436 0.000 0.880 13 D CB 1.433 42.105 40.800 -0.214 0.000 1.209 13 D HN -0.016 8.097 8.370 -0.428 0.000 0.451 14 Y N 0.370 120.563 120.300 -0.179 0.000 2.388 14 Y HA 0.106 nan 4.550 nan 0.000 0.328 14 Y C -0.816 175.004 175.900 -0.133 0.000 0.963 14 Y CA -0.736 57.235 58.100 -0.215 0.000 1.240 14 Y CB 0.740 38.925 38.460 -0.459 0.000 1.118 14 Y HN 0.135 8.295 8.280 -0.199 0.000 0.484 15 L N 3.429 124.675 121.223 0.038 0.000 2.476 15 L HA 0.119 nan 4.340 nan 0.000 0.255 15 L C 0.217 177.125 176.870 0.063 0.000 1.218 15 L CA -2.511 52.352 54.840 0.039 0.000 0.819 15 L CB -1.762 40.319 42.059 0.037 0.000 1.119 15 L HN 0.342 8.594 8.230 0.037 0.000 0.485 16 P HA -0.285 nan 4.420 nan 0.000 0.217 16 P C 1.661 179.020 177.300 0.098 0.000 1.162 16 P CA 3.048 66.199 63.100 0.084 0.000 0.901 16 P CB 0.011 31.776 31.700 0.109 0.000 0.793 17 G N -4.402 104.460 108.800 0.103 0.000 2.459 17 G HA2 -0.238 nan 3.960 nan 0.000 0.217 17 G HA3 -0.238 nan 3.960 nan 0.000 0.217 17 G C 1.636 176.612 174.900 0.128 0.000 1.183 17 G CA 1.817 46.982 45.100 0.109 0.000 0.776 17 G HN 0.116 8.463 8.290 0.095 0.000 0.552 18 E N 0.766 121.053 120.200 0.145 0.000 2.150 18 E HA -0.192 nan 4.350 nan 0.000 0.193 18 E C 2.239 178.994 176.600 0.259 0.000 0.985 18 E CA 2.317 58.844 56.400 0.212 0.000 0.814 18 E CB -0.104 29.744 29.700 0.247 0.000 0.752 18 E HN -0.389 8.047 8.360 0.127 0.000 0.466 19 T N -2.935 111.708 114.554 0.147 0.000 2.867 19 T HA -0.229 nan 4.350 nan 0.000 0.268 19 T C 1.607 176.407 174.700 0.167 0.000 1.057 19 T CA 3.524 65.687 62.100 0.105 0.000 1.136 19 T CB -1.018 67.850 68.868 0.000 0.000 0.874 19 T HN -0.260 8.048 8.240 0.112 0.000 0.466 20 A N 1.498 124.404 122.820 0.143 0.000 1.940 20 A HA -0.266 nan 4.320 nan 0.000 0.219 20 A C 1.732 179.412 177.584 0.160 0.000 1.176 20 A CA 3.044 55.156 52.037 0.126 0.000 0.631 20 A CB -0.919 18.144 19.000 0.105 0.000 0.814 20 A HN -0.429 7.782 8.150 0.131 0.017 0.446 21 I N -2.376 118.313 120.570 0.198 0.000 2.353 21 I HA -0.349 nan 4.170 nan 0.000 0.248 21 I C 1.227 177.442 176.117 0.163 0.000 1.119 21 I CA 3.121 64.546 61.300 0.208 0.000 1.417 21 I CB -0.192 37.909 38.000 0.167 0.000 1.078 21 I HN -0.714 7.524 8.210 0.204 0.095 0.421 22 W N -0.589 120.697 121.300 -0.023 0.000 2.355 22 W HA -0.445 nan 4.660 nan 0.000 0.309 22 W C 2.169 178.652 176.519 -0.060 0.000 1.206 22 W CA 5.246 62.534 57.345 -0.094 0.000 1.284 22 W CB -0.438 28.912 29.460 -0.184 0.000 1.145 22 W HN -0.551 7.798 8.180 0.433 0.091 0.502 23 Q N -2.126 117.803 119.800 0.215 0.000 2.135 23 Q HA -0.497 nan 4.340 nan 0.000 0.204 23 Q C 2.599 178.653 176.000 0.090 0.000 0.981 23 Q CA 3.590 59.467 55.803 0.122 0.000 0.856 23 Q CB -0.442 28.352 28.738 0.093 0.000 0.902 23 Q HN 0.632 8.932 8.270 0.235 0.111 0.425 24 R N -0.079 120.493 120.500 0.120 0.000 2.062 24 R HA -0.235 nan 4.340 nan 0.000 0.229 24 R C 2.516 178.911 176.300 0.158 0.000 1.128 24 R CA 3.274 59.454 56.100 0.133 0.000 0.960 24 R CB -0.153 30.244 30.300 0.161 0.000 0.855 24 R HN -0.539 7.728 8.270 0.148 0.092 0.432 25 I N -0.587 120.051 120.570 0.113 0.000 2.226 25 I HA -0.565 nan 4.170 nan 0.000 0.245 25 I C 1.779 177.810 176.117 -0.144 0.000 1.100 25 I CA 3.957 65.214 61.300 -0.071 0.000 1.374 25 I CB -0.301 37.514 38.000 -0.308 0.000 1.057 25 I HN -0.117 8.159 8.210 0.110 0.000 0.413 26 E N -0.531 119.608 120.200 -0.102 0.000 2.058 26 E HA -0.407 nan 4.350 nan 0.000 0.194 26 E C 2.741 179.273 176.600 -0.114 0.000 0.997 26 E CA 3.453 59.788 56.400 -0.108 0.000 0.801 26 E CB -0.425 29.277 29.700 0.004 0.000 0.746 26 E HN 0.396 8.728 8.360 -0.047 0.000 0.450 27 G N -1.601 107.171 108.800 -0.047 0.000 2.440 27 G HA2 -0.381 nan 3.960 nan 0.000 0.218 27 G HA3 -0.381 nan 3.960 nan 0.000 0.218 27 G C 1.267 176.122 174.900 -0.076 0.000 1.154 27 G CA 2.258 47.333 45.100 -0.042 0.000 0.767 27 G HN -0.069 8.215 8.290 -0.010 0.000 0.552 28 T N 5.585 120.094 114.554 -0.075 0.000 2.652 28 T HA -0.341 nan 4.350 nan 0.000 0.267 28 T C 2.202 176.799 174.700 -0.172 0.000 1.039 28 T CA 5.106 67.158 62.100 -0.079 0.000 1.153 28 T CB -0.539 68.309 68.868 -0.033 0.000 0.863 28 T HN -0.657 7.555 8.240 -0.046 0.000 0.428 29 L N 0.573 121.578 121.223 -0.364 0.000 1.990 29 L HA -0.527 nan 4.340 nan 0.000 0.213 29 L C 1.605 178.253 176.870 -0.370 0.000 1.072 29 L CA 3.664 58.100 54.840 -0.673 0.000 0.755 29 L CB -0.664 40.828 42.059 -0.945 0.000 0.889 29 L HN -0.273 7.755 8.230 -0.337 0.000 0.432 30 K N -1.759 118.419 120.400 -0.370 0.000 2.152 30 K HA -0.450 nan 4.320 nan 0.000 0.206 30 K C 2.701 179.173 176.600 -0.214 0.000 1.048 30 K CA 3.425 59.469 56.287 -0.405 0.000 0.933 30 K CB -0.247 32.110 32.500 -0.238 0.000 0.721 30 K HN 0.241 8.293 8.250 -0.331 0.000 0.447 31 N N -0.761 117.874 118.700 -0.108 0.000 2.207 31 N HA -0.144 nan 4.740 nan 0.000 0.182 31 N C 2.196 177.707 175.510 0.001 0.000 1.020 31 N CA 2.745 55.774 53.050 -0.035 0.000 0.858 31 N CB 0.111 38.587 38.487 -0.019 0.000 0.991 31 N HN -0.277 7.893 8.380 -0.120 0.138 0.427 32 V N 1.289 121.235 119.914 0.054 0.000 2.343 32 V HA -0.443 nan 4.120 nan 0.000 0.247 32 V C 1.918 178.088 176.094 0.127 0.000 1.051 32 V CA 4.292 66.681 62.300 0.149 0.000 1.036 32 V CB -0.733 31.297 31.823 0.346 0.000 0.654 32 V HN 0.050 8.261 8.190 0.035 0.000 0.451 33 L N -2.898 118.342 121.223 0.028 0.000 2.079 33 L HA -0.408 nan 4.340 nan 0.000 0.210 33 L C 2.135 178.975 176.870 -0.050 0.000 1.081 33 L CA 3.141 57.882 54.840 -0.165 0.000 0.752 33 L CB -0.673 41.103 42.059 -0.472 0.000 0.896 33 L HN 0.139 8.395 8.230 0.043 0.000 0.433 34 G N -3.299 105.503 108.800 0.003 0.000 2.408 34 G HA2 -0.310 nan 3.960 nan 0.000 0.217 34 G HA3 -0.310 nan 3.960 nan 0.000 0.217 34 G C 1.566 176.507 174.900 0.067 0.000 1.150 34 G CA 1.861 47.012 45.100 0.085 0.000 0.776 34 G HN -0.491 7.669 8.290 -0.041 0.105 0.542 35 S N 1.377 117.093 115.700 0.027 0.000 2.507 35 S HA -0.208 nan 4.470 nan 0.000 0.235 35 S C 0.274 174.796 174.600 -0.131 0.000 0.988 35 S CA 2.549 60.715 58.200 -0.057 0.000 0.944 35 S CB -0.052 63.080 63.200 -0.114 0.000 0.762 35 S HN -0.278 7.954 8.310 0.035 0.099 0.526 36 Y N -0.327 119.890 120.300 -0.138 0.000 2.457 36 Y HA -0.003 nan 4.550 nan 0.000 0.263 36 Y C -0.586 175.329 175.900 0.024 0.000 1.164 36 Y CA 0.075 58.072 58.100 -0.172 0.000 1.274 36 Y CB 0.372 38.538 38.460 -0.491 0.000 1.097 36 Y HN -0.812 7.380 8.280 0.136 0.170 0.523 37 G N -2.023 106.921 108.800 0.240 0.000 2.141 37 G HA2 -0.384 nan 3.960 nan 0.000 0.242 37 G HA3 -0.384 nan 3.960 nan 0.000 0.242 37 G C -0.229 174.969 174.900 0.496 0.000 0.982 37 G CA 0.105 45.392 45.100 0.311 0.000 0.662 37 G HN -0.538 7.677 8.290 0.165 0.174 0.527 38 Y N 0.322 120.752 120.300 0.216 0.000 2.304 38 Y HA 0.090 nan 4.550 nan 0.000 0.328 38 Y C -0.397 175.732 175.900 0.382 0.000 1.123 38 Y CA -2.136 56.136 58.100 0.286 0.000 1.218 38 Y CB 0.111 38.781 38.460 0.351 0.000 1.207 38 Y HN -0.860 7.717 8.280 0.496 0.000 0.495 39 S N 2.694 118.621 115.700 0.380 0.000 2.617 39 S HA 0.229 nan 4.470 nan 0.000 0.283 39 S C -1.455 173.102 174.600 -0.072 0.000 1.189 39 S CA -1.035 57.298 58.200 0.222 0.000 1.036 39 S CB 1.780 65.041 63.200 0.102 0.000 1.014 39 S HN 0.346 8.806 8.310 0.250 0.000 0.522 40 E N 2.194 122.231 120.200 -0.273 0.000 2.313 40 E HA 0.442 nan 4.350 nan 0.000 0.272 40 E C -1.140 175.208 176.600 -0.419 0.000 1.038 40 E CA -0.529 55.366 56.400 -0.842 0.000 0.863 40 E CB 1.326 30.558 29.700 -0.780 0.000 1.060 40 E HN 0.128 8.464 8.360 -0.040 0.000 0.402 41 I N 3.950 124.287 120.570 -0.388 0.000 2.582 41 I HA 0.199 nan 4.170 nan 0.000 0.292 41 I C -1.933 174.116 176.117 -0.113 0.000 1.066 41 I CA -1.277 59.927 61.300 -0.160 0.000 1.053 41 I CB 2.347 40.319 38.000 -0.048 0.000 1.241 41 I HN 0.311 8.192 8.210 -0.548 0.000 0.421 42 R N 6.856 127.302 120.500 -0.091 0.000 2.343 42 R HA 0.325 nan 4.340 nan 0.000 0.320 42 R C -0.594 175.675 176.300 -0.052 0.000 0.956 42 R CA -0.837 55.228 56.100 -0.058 0.000 0.836 42 R CB 1.204 31.476 30.300 -0.048 0.000 1.151 42 R HN 0.092 8.304 8.270 -0.096 0.000 0.450 43 L N 4.606 125.798 121.223 -0.053 0.000 2.333 43 L HA 0.598 nan 4.340 nan 0.000 0.269 43 L C -1.382 175.478 176.870 -0.017 0.000 1.010 43 L CA -3.094 51.717 54.840 -0.048 0.000 0.818 43 L CB 0.951 42.952 42.059 -0.097 0.000 1.306 43 L HN 0.299 8.495 8.230 -0.056 0.000 0.430 44 P HA -0.030 nan 4.420 nan 0.000 0.267 44 P C -0.477 176.854 177.300 0.051 0.000 1.200 44 P CA 0.156 63.274 63.100 0.029 0.000 0.772 44 P CB 0.747 32.467 31.700 0.032 0.000 0.855 45 I N -0.248 120.359 120.570 0.063 0.000 2.500 45 I HA -0.139 nan 4.170 nan 0.000 0.252 45 I C -0.555 175.617 176.117 0.092 0.000 1.142 45 I CA 1.868 63.223 61.300 0.091 0.000 1.451 45 I CB 0.241 38.292 38.000 0.085 0.000 1.093 45 I HN -0.244 7.998 8.210 0.052 0.000 0.430 46 V N -2.052 117.912 119.914 0.083 0.000 2.459 46 V HA 0.350 nan 4.120 nan 0.000 0.295 46 V C -0.828 175.331 176.094 0.108 0.000 1.029 46 V CA -1.362 61.001 62.300 0.104 0.000 0.874 46 V CB 1.125 33.009 31.823 0.101 0.000 0.985 46 V HN -0.635 7.573 8.190 0.068 0.023 0.438 47 E N 4.583 124.882 120.200 0.166 0.000 2.393 47 E HA 0.424 nan 4.350 nan 0.000 0.265 47 E C -1.433 175.162 176.600 -0.009 0.000 0.941 47 E CA -2.576 53.852 56.400 0.046 0.000 0.801 47 E CB 4.282 33.942 29.700 -0.066 0.000 1.313 47 E HN 0.555 9.077 8.360 0.271 0.000 0.435 48 Q N -0.343 119.393 119.800 -0.108 0.000 2.332 48 Q HA 0.047 nan 4.340 nan 0.000 0.263 48 Q C 1.517 177.457 176.000 -0.100 0.000 0.979 48 Q CA 0.855 56.593 55.803 -0.108 0.000 0.885 48 Q CB 0.276 28.944 28.738 -0.117 0.000 1.218 48 Q HN 0.405 8.588 8.270 -0.144 0.000 0.405 49 T N 5.510 120.040 114.554 -0.040 0.000 2.778 49 T HA -0.199 nan 4.350 nan 0.000 0.269 49 T C 0.115 174.817 174.700 0.003 0.000 1.050 49 T CA 5.926 68.053 62.100 0.044 0.000 1.137 49 T CB -2.290 66.588 68.868 0.017 0.000 0.860 49 T HN 0.631 8.716 8.240 -0.072 0.111 0.468 50 P HA -0.198 nan 4.420 nan 0.000 0.218 50 P C 1.093 178.329 177.300 -0.106 0.000 1.148 50 P CA 2.593 65.656 63.100 -0.062 0.000 0.822 50 P CB -0.690 30.969 31.700 -0.069 0.000 0.784 51 L N -2.174 118.911 121.223 -0.230 0.000 1.990 51 L HA -0.398 nan 4.340 nan 0.000 0.213 51 L C 1.912 178.593 176.870 -0.314 0.000 1.072 51 L CA 3.438 58.064 54.840 -0.357 0.000 0.755 51 L CB -0.254 41.422 42.059 -0.639 0.000 0.889 51 L HN -0.399 7.666 8.230 -0.244 0.018 0.432 52 F N -3.206 116.751 119.950 0.011 0.000 2.134 52 F HA -0.429 nan 4.527 nan 0.000 0.299 52 F C 2.480 178.294 175.800 0.022 0.000 1.097 52 F CA 3.303 61.319 58.000 0.028 0.000 1.264 52 F CB -0.914 38.105 39.000 0.031 0.000 1.001 52 F HN -0.776 7.201 8.300 -0.539 0.000 0.479 53 K N -0.445 120.040 120.400 0.142 0.000 1.991 53 K HA -0.400 nan 4.320 nan 0.000 0.212 53 K C 2.596 179.228 176.600 0.052 0.000 1.049 53 K CA 3.557 59.894 56.287 0.082 0.000 0.932 53 K CB -0.321 32.206 32.500 0.045 0.000 0.717 53 K HN -0.440 7.881 8.250 0.119 0.000 0.441 54 R N -2.170 118.342 120.500 0.020 0.000 2.120 54 R HA -0.255 nan 4.340 nan 0.000 0.234 54 R C 1.472 177.794 176.300 0.037 0.000 1.123 54 R CA 2.505 58.611 56.100 0.011 0.000 0.975 54 R CB 0.102 30.389 30.300 -0.021 0.000 0.866 54 R HN 0.288 8.444 8.270 -0.001 0.114 0.446 55 A N -1.689 121.166 122.820 0.059 0.000 1.881 55 A HA 0.062 nan 4.320 nan 0.000 0.210 55 A C 1.151 178.849 177.584 0.189 0.000 1.239 55 A CA 1.392 53.506 52.037 0.128 0.000 0.629 55 A CB 0.821 19.889 19.000 0.113 0.000 0.906 55 A HN -0.010 8.141 8.150 0.043 0.024 0.460 56 I N -3.696 116.973 120.570 0.166 0.000 2.454 56 I HA -0.284 nan 4.170 nan 0.000 0.254 56 I C -0.303 175.803 176.117 -0.017 0.000 1.156 56 I CA 1.750 63.081 61.300 0.051 0.000 1.433 56 I CB 0.403 38.463 38.000 0.100 0.000 1.082 56 I HN -0.325 7.902 8.210 0.189 0.096 0.432 57 G N -3.695 105.123 108.800 0.029 0.000 2.911 57 G HA2 -0.260 nan 3.960 nan 0.000 0.686 57 G HA3 -0.260 nan 3.960 nan 0.000 0.686 57 G C 0.342 175.253 174.900 0.017 0.000 1.136 57 G CA -0.762 44.346 45.100 0.012 0.000 0.764 57 G HN -0.714 7.589 8.290 0.061 0.024 0.626 58 E N 2.451 122.661 120.200 0.017 0.000 2.106 58 E HA -0.158 nan 4.350 nan 0.000 0.192 58 E C 0.690 177.295 176.600 0.009 0.000 0.984 58 E CA 2.522 58.931 56.400 0.015 0.000 0.806 58 E CB -0.147 29.560 29.700 0.012 0.000 0.750 58 E HN 0.456 8.825 8.360 0.016 0.000 0.458 59 V N -9.952 109.965 119.914 0.005 0.000 3.577 59 V HA 0.280 nan 4.120 nan 0.000 0.294 59 V C 0.189 176.283 176.094 0.000 0.000 1.317 59 V CA -1.794 60.508 62.300 0.002 0.000 1.169 59 V CB -1.817 30.007 31.823 0.002 0.000 1.011 59 V HN -0.285 7.908 8.190 0.004 0.000 0.426 60 T N -2.854 111.699 114.554 -0.001 0.000 2.899 60 T HA 0.178 nan 4.350 nan 0.000 0.284 60 T C 0.903 175.605 174.700 0.004 0.000 1.004 60 T CA -1.104 60.993 62.100 -0.005 0.000 1.043 60 T CB 2.500 71.358 68.868 -0.018 0.000 1.013 60 T HN -0.844 7.312 8.240 0.001 0.085 0.518 61 D N 2.942 123.346 120.400 0.006 0.000 2.178 61 D HA -0.130 nan 4.640 nan 0.000 0.202 61 D C 2.117 178.429 176.300 0.020 0.000 0.974 61 D CA 3.354 57.361 54.000 0.011 0.000 0.841 61 D CB -0.530 40.278 40.800 0.013 0.000 0.953 61 D HN 0.533 8.905 8.370 0.003 0.000 0.478 62 V N -0.443 119.486 119.914 0.024 0.000 2.231 62 V HA -0.412 nan 4.120 nan 0.000 0.248 62 V C 1.881 177.994 176.094 0.031 0.000 1.054 62 V CA 4.175 66.497 62.300 0.037 0.000 1.015 62 V CB -0.658 31.187 31.823 0.036 0.000 0.638 62 V HN -0.021 8.159 8.190 0.016 0.021 0.444 63 V N -1.965 117.968 119.914 0.031 0.000 2.323 63 V HA -0.339 nan 4.120 nan 0.000 0.244 63 V C 2.069 178.173 176.094 0.018 0.000 1.041 63 V CA 3.159 65.480 62.300 0.036 0.000 1.025 63 V CB -0.800 31.052 31.823 0.049 0.000 0.656 63 V HN -0.626 7.580 8.190 0.027 0.000 0.451 64 E N -1.055 119.151 120.200 0.011 0.000 2.065 64 E HA -0.234 nan 4.350 nan 0.000 0.201 64 E C 1.422 178.016 176.600 -0.010 0.000 1.016 64 E CA 2.578 58.978 56.400 0.001 0.000 0.818 64 E CB 0.518 30.218 29.700 0.001 0.000 0.749 64 E HN -0.084 8.284 8.360 0.013 0.000 0.453 65 K N -5.489 114.906 120.400 -0.007 0.000 2.734 65 K HA 0.240 nan 4.320 nan 0.000 0.200 65 K C -0.202 176.390 176.600 -0.013 0.000 1.120 65 K CA 0.003 56.276 56.287 -0.024 0.000 1.067 65 K CB 0.553 33.041 32.500 -0.020 0.000 0.771 65 K HN -0.239 7.900 8.250 0.004 0.114 0.481 66 E N -0.647 119.558 120.200 0.008 0.000 2.444 66 E HA 0.148 nan 4.350 nan 0.000 0.209 66 E C -0.407 176.222 176.600 0.049 0.000 0.806 66 E CA -0.045 56.387 56.400 0.053 0.000 1.240 66 E CB 2.370 32.126 29.700 0.093 0.000 1.238 66 E HN 0.109 8.474 8.360 0.008 0.000 0.591 67 M N 0.279 119.893 119.600 0.023 0.000 2.252 67 M HA -0.173 nan 4.480 nan 0.000 0.333 67 M C 0.113 176.418 176.300 0.010 0.000 1.111 67 M CA 1.525 56.849 55.300 0.039 0.000 1.140 67 M CB 0.515 33.117 32.600 0.003 0.000 1.538 67 M HN -0.792 7.506 8.290 0.013 0.000 0.448 68 Y N 3.198 123.534 120.300 0.061 0.000 2.518 68 Y HA 0.139 nan 4.550 nan 0.000 0.344 68 Y C -1.437 174.519 175.900 0.093 0.000 0.982 68 Y CA -0.182 57.975 58.100 0.095 0.000 1.234 68 Y CB -0.433 38.072 38.460 0.075 0.000 1.114 68 Y HN 0.439 8.905 8.280 0.310 0.000 0.515 69 T N 6.274 120.925 114.554 0.162 0.000 2.885 69 T HA 0.727 nan 4.350 nan 0.000 0.285 69 T C -1.570 173.242 174.700 0.187 0.000 1.019 69 T CA -0.942 61.216 62.100 0.097 0.000 1.010 69 T CB 1.915 70.794 68.868 0.019 0.000 1.022 69 T HN 0.164 8.453 8.240 0.080 0.000 0.466 70 F N 0.390 120.361 119.950 0.034 0.000 2.741 70 F HA 0.500 nan 4.527 nan 0.000 0.313 70 F C -2.782 173.028 175.800 0.016 0.000 1.153 70 F CA -2.131 55.882 58.000 0.022 0.000 0.931 70 F CB 2.127 41.140 39.000 0.022 0.000 1.335 70 F HN 0.825 8.885 8.300 -0.400 0.000 0.460 71 E N 0.802 121.115 120.200 0.189 0.000 2.151 71 E HA 0.240 nan 4.350 nan 0.000 0.275 71 E C -1.508 175.200 176.600 0.180 0.000 0.936 71 E CA -1.346 55.090 56.400 0.060 0.000 0.777 71 E CB 1.967 31.700 29.700 0.054 0.000 1.108 71 E HN 0.044 8.596 8.360 0.320 0.000 0.401 72 D N 6.364 126.803 120.400 0.065 0.000 2.360 72 D HA 0.036 nan 4.640 nan 0.000 0.242 72 D C 0.752 177.107 176.300 0.091 0.000 1.184 72 D CA -0.334 53.746 54.000 0.133 0.000 0.930 72 D CB 1.174 42.006 40.800 0.053 0.000 1.161 72 D HN 0.560 8.790 8.370 -0.056 0.106 0.447 73 R N 2.352 122.904 120.500 0.087 0.000 2.377 73 R HA -0.242 nan 4.340 nan 0.000 0.207 73 R C 0.157 176.476 176.300 0.032 0.000 1.075 73 R CA 2.316 58.447 56.100 0.052 0.000 1.035 73 R CB -0.281 30.045 30.300 0.042 0.000 0.857 73 R HN 0.399 8.734 8.270 0.108 0.000 0.475 74 N N -3.595 115.121 118.700 0.027 0.000 2.234 74 N HA 0.037 nan 4.740 nan 0.000 0.227 74 N C -0.172 175.340 175.510 0.003 0.000 1.151 74 N CA -0.818 52.239 53.050 0.011 0.000 0.865 74 N CB -0.486 38.005 38.487 0.006 0.000 1.066 74 N HN -0.592 7.798 8.380 0.034 0.010 0.515 75 G N -1.315 107.489 108.800 0.007 0.000 2.284 75 G HA2 -0.456 nan 3.960 nan 0.000 0.261 75 G HA3 -0.456 nan 3.960 nan 0.000 0.261 75 G C -0.843 174.046 174.900 -0.018 0.000 0.997 75 G CA 0.414 45.513 45.100 -0.001 0.000 0.621 75 G HN 0.292 8.440 8.290 0.019 0.153 0.534 76 D N 0.857 121.240 120.400 -0.028 0.000 2.399 76 D HA -0.096 nan 4.640 nan 0.000 0.241 76 D C -1.231 175.010 176.300 -0.099 0.000 1.133 76 D CA 0.998 54.964 54.000 -0.057 0.000 0.890 76 D CB 1.047 41.812 40.800 -0.058 0.000 1.201 76 D HN -0.225 8.028 8.370 -0.018 0.107 0.432 77 S N 0.079 115.711 115.700 -0.113 0.000 2.452 77 S HA 0.657 nan 4.470 nan 0.000 0.284 77 S C -1.227 173.233 174.600 -0.233 0.000 1.171 77 S CA -0.149 57.953 58.200 -0.163 0.000 1.064 77 S CB 0.379 63.520 63.200 -0.098 0.000 0.967 77 S HN 0.145 8.403 8.310 -0.087 0.000 0.484 78 L N 8.053 128.999 121.223 -0.462 0.000 2.346 78 L HA 0.696 nan 4.340 nan 0.000 0.274 78 L C -1.784 174.802 176.870 -0.473 0.000 1.007 78 L CA -0.844 53.666 54.840 -0.550 0.000 0.818 78 L CB 2.882 44.356 42.059 -0.975 0.000 1.284 78 L HN 0.773 8.645 8.230 -0.597 0.000 0.424 79 T N 4.239 118.726 114.554 -0.112 0.000 2.893 79 T HA 0.574 nan 4.350 nan 0.000 0.293 79 T C -1.614 173.150 174.700 0.106 0.000 1.027 79 T CA -0.570 61.559 62.100 0.048 0.000 0.988 79 T CB 2.678 71.652 68.868 0.176 0.000 1.043 79 T HN 0.759 8.990 8.240 -0.015 0.000 0.461 80 L N 4.981 126.239 121.223 0.059 0.000 2.361 80 L HA 0.339 nan 4.340 nan 0.000 0.278 80 L C -0.540 176.287 176.870 -0.072 0.000 1.113 80 L CA -0.999 53.796 54.840 -0.074 0.000 0.849 80 L CB 0.121 41.960 42.059 -0.366 0.000 1.155 80 L HN 0.609 8.912 8.230 0.121 0.000 0.452 81 R N 5.349 125.822 120.500 -0.045 0.000 2.537 81 R HA -0.065 nan 4.340 nan 0.000 0.281 81 R C -1.289 174.916 176.300 -0.159 0.000 0.988 81 R CA 0.294 56.231 56.100 -0.272 0.000 1.077 81 R CB -0.712 29.606 30.300 0.030 0.000 0.932 81 R HN 0.126 8.436 8.270 0.066 0.000 0.409 82 P HA 0.242 nan 4.420 nan 0.000 0.272 82 P C -1.643 175.665 177.300 0.012 0.000 1.276 82 P CA 0.404 63.452 63.100 -0.088 0.000 0.871 82 P CB 0.730 32.385 31.700 -0.076 0.000 1.313 83 E N -3.763 116.430 120.200 -0.011 0.000 2.439 83 E HA 0.121 nan 4.350 nan 0.000 0.279 83 E C -1.560 175.113 176.600 0.120 0.000 1.077 83 E CA -0.788 55.690 56.400 0.130 0.000 0.849 83 E CB 1.691 31.515 29.700 0.207 0.000 1.408 83 E HN -0.566 7.665 8.360 -0.125 0.054 0.457 84 G N -3.654 105.224 108.800 0.130 0.000 3.274 84 G HA2 0.423 nan 3.960 nan 0.000 0.250 84 G HA3 0.423 nan 3.960 nan 0.000 0.250 84 G C 0.147 175.029 174.900 -0.031 0.000 1.024 84 G CA 0.438 45.498 45.100 -0.066 0.000 0.840 84 G HN 0.567 8.994 8.290 0.228 0.000 0.522 85 T N 5.205 119.835 114.554 0.126 0.000 2.684 85 T HA -0.363 nan 4.350 nan 0.000 0.267 85 T C 1.506 176.207 174.700 0.002 0.000 1.036 85 T CA 5.085 67.211 62.100 0.044 0.000 1.148 85 T CB -0.486 68.252 68.868 -0.215 0.000 0.863 85 T HN -0.237 8.420 8.240 0.194 -0.301 0.436 86 A N 0.728 123.574 122.820 0.043 0.000 1.883 86 A HA -0.290 nan 4.320 nan 0.000 0.217 86 A C 1.693 179.259 177.584 -0.030 0.000 1.186 86 A CA 3.291 55.330 52.037 0.004 0.000 0.624 86 A CB -0.921 18.111 19.000 0.054 0.000 0.822 86 A HN 0.084 8.668 8.150 0.136 -0.352 0.444 87 G N -3.150 105.656 108.800 0.010 0.000 2.450 87 G HA2 -0.435 nan 3.960 nan 0.000 0.220 87 G HA3 -0.435 nan 3.960 nan 0.000 0.220 87 G C 0.677 175.562 174.900 -0.025 0.000 1.130 87 G CA 1.948 47.032 45.100 -0.025 0.000 0.760 87 G HN 0.215 8.565 8.290 0.100 0.000 0.557 88 C N 2.191 121.492 119.300 0.002 0.000 2.489 88 C HA -0.154 nan 4.460 nan 0.000 0.279 88 C C 2.071 177.118 174.990 0.096 0.000 1.266 88 C CA 3.284 62.356 59.018 0.089 0.000 1.707 88 C CB -1.261 26.618 27.740 0.232 0.000 2.059 88 C HN -0.237 7.861 8.230 -0.002 0.130 0.481 89 V N 1.807 121.776 119.914 0.092 0.000 2.332 89 V HA -0.519 nan 4.120 nan 0.000 0.248 89 V C 1.914 177.962 176.094 -0.077 0.000 1.055 89 V CA 4.502 66.790 62.300 -0.019 0.000 1.038 89 V CB -1.289 30.547 31.823 0.022 0.000 0.651 89 V HN 0.515 8.769 8.190 0.106 0.000 0.450 90 R N -0.313 120.155 120.500 -0.053 0.000 2.083 90 R HA -0.405 nan 4.340 nan 0.000 0.237 90 R C 1.947 178.227 176.300 -0.033 0.000 1.137 90 R CA 3.651 59.711 56.100 -0.066 0.000 0.951 90 R CB -0.254 29.993 30.300 -0.089 0.000 0.851 90 R HN 0.362 8.599 8.270 -0.042 0.008 0.434 91 A N -2.934 119.895 122.820 0.016 0.000 2.015 91 A HA -0.115 nan 4.320 nan 0.000 0.219 91 A C 2.123 179.800 177.584 0.155 0.000 1.163 91 A CA 2.575 54.691 52.037 0.131 0.000 0.646 91 A CB -0.782 18.276 19.000 0.096 0.000 0.806 91 A HN -0.188 7.964 8.150 0.004 0.000 0.448 92 G N -0.555 108.250 108.800 0.008 0.000 2.434 92 G HA2 -0.310 nan 3.960 nan 0.000 0.214 92 G HA3 -0.310 nan 3.960 nan 0.000 0.214 92 G C 1.308 176.168 174.900 -0.067 0.000 1.202 92 G CA 1.785 46.840 45.100 -0.075 0.000 0.788 92 G HN -0.096 8.059 8.290 -0.021 0.122 0.539 93 I N 1.476 121.985 120.570 -0.101 0.000 2.163 93 I HA -0.555 nan 4.170 nan 0.000 0.243 93 I C 2.456 178.520 176.117 -0.088 0.000 1.085 93 I CA 3.860 65.104 61.300 -0.093 0.000 1.347 93 I CB -0.113 37.828 38.000 -0.098 0.000 1.044 93 I HN 0.372 8.510 8.210 -0.119 0.000 0.408 94 E N 0.125 120.260 120.200 -0.107 0.000 2.118 94 E HA -0.329 nan 4.350 nan 0.000 0.195 94 E C 1.502 177.890 176.600 -0.354 0.000 0.992 94 E CA 2.771 59.036 56.400 -0.225 0.000 0.804 94 E CB 0.003 29.543 29.700 -0.267 0.000 0.741 94 E HN -0.225 8.088 8.360 -0.078 0.000 0.458 95 H N -5.264 113.780 119.070 -0.044 0.000 2.551 95 H HA 0.164 nan 4.556 nan 0.000 0.271 95 H C -0.370 174.944 175.328 -0.023 0.000 0.984 95 H CA -0.159 55.872 56.048 -0.029 0.000 1.164 95 H CB 0.441 30.189 29.762 -0.024 0.000 1.437 95 H HN -0.586 7.702 8.280 0.042 0.017 0.550 96 G N 0.398 109.218 108.800 0.033 0.000 2.353 96 G HA2 -0.358 nan 3.960 nan 0.000 0.294 96 G HA3 -0.358 nan 3.960 nan 0.000 0.294 96 G C -0.383 174.546 174.900 0.049 0.000 1.077 96 G CA 0.699 45.816 45.100 0.029 0.000 1.098 96 G HN -0.362 7.739 8.290 -0.004 0.188 0.511 97 L N -3.116 118.125 121.223 0.030 0.000 2.766 97 L HA 0.135 nan 4.340 nan 0.000 0.242 97 L C 0.398 177.264 176.870 -0.007 0.000 1.136 97 L CA 0.002 54.856 54.840 0.023 0.000 0.933 97 L CB 0.595 42.668 42.059 0.024 0.000 1.241 97 L HN 0.036 8.272 8.230 0.010 0.000 0.522 98 L N -2.951 118.247 121.223 -0.041 0.000 2.286 98 L HA 0.015 nan 4.340 nan 0.000 0.203 98 L C -0.055 176.832 176.870 0.028 0.000 1.068 98 L CA 0.903 55.700 54.840 -0.073 0.000 0.811 98 L CB 0.643 42.563 42.059 -0.232 0.000 0.989 98 L HN -0.700 7.465 8.230 -0.030 0.048 0.467 99 Y N 0.420 120.686 120.300 -0.056 0.000 2.745 99 Y HA -0.295 nan 4.550 nan 0.000 0.335 99 Y C -0.043 175.850 175.900 -0.012 0.000 1.212 99 Y CA 0.691 58.772 58.100 -0.032 0.000 1.535 99 Y CB -0.411 38.030 38.460 -0.031 0.000 1.220 99 Y HN -0.486 7.890 8.280 0.161 0.000 0.531 100 N N 3.400 121.825 118.700 -0.459 0.000 2.741 100 N HA -0.484 nan 4.740 nan 0.000 0.251 100 N C -1.482 173.924 175.510 -0.173 0.000 1.112 100 N CA 1.496 54.299 53.050 -0.411 0.000 0.750 100 N CB -0.970 37.153 38.487 -0.607 0.000 1.119 100 N HN 0.627 8.811 8.380 -0.327 0.000 0.561 101 Q N -2.869 116.883 119.800 -0.080 0.000 2.423 101 Q HA 0.230 nan 4.340 nan 0.000 0.278 101 Q C -1.655 174.361 176.000 0.027 0.000 1.097 101 Q CA -1.120 54.671 55.803 -0.020 0.000 0.809 101 Q CB 3.489 32.229 28.738 0.003 0.000 1.391 101 Q HN -0.498 7.702 8.270 -0.065 0.030 0.428 102 E N 0.799 121.019 120.200 0.034 0.000 2.204 102 E HA 0.089 nan 4.350 nan 0.000 0.276 102 E C -1.115 175.525 176.600 0.067 0.000 0.974 102 E CA -1.040 55.392 56.400 0.052 0.000 0.815 102 E CB 0.868 30.583 29.700 0.026 0.000 1.119 102 E HN 0.193 8.565 8.360 0.020 0.000 0.393 103 Q N 4.117 123.972 119.800 0.092 0.000 2.271 103 Q HA 0.297 nan 4.340 nan 0.000 0.268 103 Q C -1.612 174.351 176.000 -0.060 0.000 1.021 103 Q CA -1.093 54.764 55.803 0.091 0.000 0.802 103 Q CB 3.748 32.659 28.738 0.289 0.000 1.282 103 Q HN 0.198 8.527 8.270 0.099 0.000 0.431 104 R N 3.901 124.305 120.500 -0.160 0.000 2.352 104 R HA 0.705 nan 4.340 nan 0.000 0.304 104 R C -1.460 174.636 176.300 -0.340 0.000 1.104 104 R CA -0.434 55.365 56.100 -0.501 0.000 0.991 104 R CB 0.418 30.310 30.300 -0.680 0.000 1.140 104 R HN 0.548 8.771 8.270 -0.079 0.000 0.540 105 L N 2.102 123.195 121.223 -0.217 0.000 2.279 105 L HA 0.859 nan 4.340 nan 0.000 0.262 105 L C -1.547 175.384 176.870 0.103 0.000 1.019 105 L CA -1.591 53.241 54.840 -0.014 0.000 0.823 105 L CB 3.618 45.696 42.059 0.032 0.000 1.358 105 L HN 0.662 8.726 8.230 -0.277 0.000 0.432 106 W N -3.063 118.256 121.300 0.032 0.000 3.074 106 W HA 0.797 nan 4.660 nan 0.000 0.332 106 W C -3.215 173.304 176.519 -0.000 0.000 1.253 106 W CA -1.064 56.230 57.345 -0.084 0.000 1.180 106 W CB 2.816 32.300 29.460 0.040 0.000 1.445 106 W HN 0.357 8.386 8.180 -0.252 0.000 0.573 107 Y N -6.271 114.137 120.300 0.180 0.000 2.638 107 Y HA 0.513 nan 4.550 nan 0.000 0.335 107 Y C -3.079 172.989 175.900 0.280 0.000 1.155 107 Y CA -1.608 56.496 58.100 0.006 0.000 1.046 107 Y CB 2.391 40.837 38.460 -0.023 0.000 1.303 107 Y HN 0.586 8.697 8.280 -0.282 0.000 0.460 108 I N -0.048 120.797 120.570 0.458 0.000 2.752 108 I HA 0.667 nan 4.170 nan 0.000 0.295 108 I C -1.499 174.805 176.117 0.313 0.000 1.219 108 I CA -1.435 60.117 61.300 0.420 0.000 1.030 108 I CB 3.300 41.552 38.000 0.421 0.000 1.259 108 I HN 0.356 8.758 8.210 0.319 0.000 0.423 109 G N 5.188 114.160 108.800 0.286 0.000 2.321 109 G HA2 0.247 nan 3.960 nan 0.000 0.296 109 G HA3 0.247 nan 3.960 nan 0.000 0.296 109 G C -4.274 170.693 174.900 0.112 0.000 1.287 109 G CA 0.408 45.627 45.100 0.200 0.000 0.846 109 G HN -0.139 8.344 8.290 0.321 0.000 0.508 110 P HA 0.804 nan 4.420 nan 0.000 0.285 110 P C -1.911 174.963 177.300 -0.710 0.000 1.269 110 P CA -0.921 61.820 63.100 -0.597 0.000 0.844 110 P CB 1.029 32.289 31.700 -0.734 0.000 1.094 111 M N -1.212 117.666 119.600 -1.203 0.000 2.644 111 M HA 0.848 nan 4.480 nan 0.000 0.304 111 M C -1.398 174.029 176.300 -1.454 0.000 1.215 111 M CA -2.062 52.579 55.300 -1.097 0.000 0.871 111 M CB 4.412 36.261 32.600 -1.253 0.000 1.740 111 M HN 0.673 8.001 8.290 -1.423 0.108 0.464 112 F N -0.002 119.690 119.950 -0.429 0.000 2.547 112 F HA 0.677 nan 4.527 nan 0.000 0.316 112 F C -1.179 174.688 175.800 0.112 0.000 1.121 112 F CA -1.159 56.730 58.000 -0.186 0.000 0.911 112 F CB 2.847 41.698 39.000 -0.248 0.000 1.179 112 F HN 0.928 9.063 8.300 -0.075 0.119 0.443 113 R N 0.333 121.110 120.500 0.462 0.000 2.564 113 R HA 0.330 nan 4.340 nan 0.000 0.284 113 R C -1.529 175.042 176.300 0.452 0.000 1.031 113 R CA -1.303 55.063 56.100 0.444 0.000 0.904 113 R CB 4.273 34.812 30.300 0.398 0.000 1.199 113 R HN 0.377 8.900 8.270 0.423 0.000 0.443 114 H N 5.503 124.692 119.070 0.199 0.000 3.109 114 H HA -0.060 nan 4.556 nan 0.000 0.266 114 H C -1.269 174.100 175.328 0.067 0.000 1.334 114 H CA 0.300 56.379 56.048 0.052 0.000 1.456 114 H CB -0.164 29.417 29.762 -0.302 0.000 1.587 114 H HN 0.674 8.984 8.280 0.272 0.133 0.500 115 E N 4.489 124.739 120.200 0.083 0.000 2.393 115 E HA 0.142 nan 4.350 nan 0.000 0.273 115 E C -1.533 175.088 176.600 0.035 0.000 0.918 115 E CA -2.233 54.218 56.400 0.084 0.000 0.773 115 E CB 3.501 33.244 29.700 0.072 0.000 1.275 115 E HN -0.592 7.797 8.360 0.048 0.000 0.451 116 R N 3.345 123.868 120.500 0.038 0.000 2.404 116 R HA -0.026 nan 4.340 nan 0.000 0.315 116 R C -1.881 174.422 176.300 0.006 0.000 1.032 116 R CA -1.279 54.836 56.100 0.024 0.000 0.992 116 R CB -0.614 29.701 30.300 0.024 0.000 0.959 116 R HN 0.369 8.667 8.270 0.047 0.000 0.428 117 P HA 0.070 nan 4.420 nan 0.000 0.271 117 P C -1.951 175.341 177.300 -0.015 0.000 1.216 117 P CA -0.094 63.013 63.100 0.011 0.000 0.771 117 P CB 0.676 32.424 31.700 0.080 0.000 0.864 118 Q N 3.122 122.876 119.800 -0.077 0.000 2.831 118 Q HA 0.147 nan 4.340 nan 0.000 0.322 118 Q C -0.576 175.350 176.000 -0.124 0.000 0.923 118 Q CA -0.736 55.026 55.803 -0.070 0.000 0.767 118 Q CB 2.214 30.908 28.738 -0.074 0.000 1.469 118 Q HN -0.369 7.807 8.270 -0.157 0.000 0.496 119 K N -0.250 120.104 120.400 -0.077 0.000 2.113 119 K HA -0.186 nan 4.320 nan 0.000 0.208 119 K C 0.129 176.616 176.600 -0.188 0.000 1.047 119 K CA 3.167 59.419 56.287 -0.057 0.000 0.928 119 K CB -0.719 31.774 32.500 -0.013 0.000 0.716 119 K HN 0.583 8.804 8.250 -0.049 0.000 0.446 120 G N -4.776 103.868 108.800 -0.261 0.000 2.709 120 G HA2 0.005 nan 3.960 nan 0.000 0.208 120 G HA3 0.005 nan 3.960 nan 0.000 0.208 120 G C -0.859 173.695 174.900 -0.576 0.000 1.129 120 G CA -0.139 44.759 45.100 -0.337 0.000 0.793 120 G HN -0.250 7.906 8.290 -0.198 0.016 0.524 121 R N 1.711 121.909 120.500 -0.504 0.000 2.202 121 R HA 0.284 nan 4.340 nan 0.000 0.334 121 R C -1.286 174.736 176.300 -0.464 0.000 1.036 121 R CA -0.876 54.977 56.100 -0.413 0.000 0.878 121 R CB 0.047 30.231 30.300 -0.193 0.000 1.067 121 R HN -0.293 7.753 8.270 -0.373 -0.000 0.457 122 Y N 2.804 123.143 120.300 0.065 0.000 2.549 122 Y HA 0.344 nan 4.550 nan 0.000 0.339 122 Y C -0.085 175.933 175.900 0.196 0.000 1.053 122 Y CA -1.427 56.754 58.100 0.134 0.000 1.105 122 Y CB 2.516 41.094 38.460 0.197 0.000 1.258 122 Y HN 0.159 8.360 8.280 -0.131 0.000 0.478 123 R N -1.926 118.774 120.500 0.332 0.000 2.127 123 R HA -0.067 nan 4.340 nan 0.000 0.217 123 R C -0.123 176.304 176.300 0.211 0.000 1.074 123 R CA 1.942 58.205 56.100 0.272 0.000 0.991 123 R CB 1.311 31.726 30.300 0.191 0.000 0.895 123 R HN 0.370 8.721 8.270 0.320 0.111 0.450 124 Q N -1.433 118.432 119.800 0.107 0.000 2.333 124 Q HA 0.454 nan 4.340 nan 0.000 0.268 124 Q C -1.638 174.308 176.000 -0.091 0.000 1.007 124 Q CA -0.872 54.783 55.803 -0.246 0.000 0.810 124 Q CB 2.735 31.324 28.738 -0.249 0.000 1.264 124 Q HN -0.872 7.500 8.270 0.169 0.000 0.452 125 F N 2.598 122.341 119.950 -0.346 0.000 2.675 125 F HA 0.744 nan 4.527 nan 0.000 0.324 125 F C -2.343 173.209 175.800 -0.414 0.000 1.106 125 F CA -2.560 55.372 58.000 -0.113 0.000 0.970 125 F CB 2.579 41.678 39.000 0.165 0.000 1.385 125 F HN 0.591 8.327 8.300 -0.941 0.000 0.489 126 H N -2.382 116.907 119.070 0.365 0.000 2.747 126 H HA 0.695 nan 4.556 nan 0.000 0.371 126 H C -1.320 174.226 175.328 0.362 0.000 1.161 126 H CA -1.053 55.124 56.048 0.216 0.000 1.167 126 H CB 3.339 33.231 29.762 0.218 0.000 1.732 126 H HN -0.008 9.090 8.280 0.737 -0.376 0.544 127 Q N -1.000 119.036 119.800 0.394 0.000 2.484 127 Q HA 0.772 nan 4.340 nan 0.000 0.285 127 Q C -2.292 173.909 176.000 0.335 0.000 1.097 127 Q CA -1.606 54.429 55.803 0.387 0.000 0.802 127 Q CB 5.053 34.042 28.738 0.418 0.000 1.444 127 Q HN 0.393 8.853 8.270 0.316 0.000 0.429 128 L N 0.616 121.999 121.223 0.266 0.000 2.406 128 L HA 0.748 nan 4.340 nan 0.000 0.272 128 L C -2.174 174.754 176.870 0.095 0.000 0.980 128 L CA -1.464 53.492 54.840 0.194 0.000 0.831 128 L CB 3.182 45.298 42.059 0.096 0.000 1.253 128 L HN 0.108 8.504 8.230 0.276 0.000 0.406 129 G N 3.242 111.902 108.800 -0.233 0.000 2.619 129 G HA2 0.682 nan 3.960 nan 0.000 0.296 129 G HA3 0.682 nan 3.960 nan 0.000 0.296 129 G C -2.756 171.705 174.900 -0.731 0.000 1.334 129 G CA -0.895 43.874 45.100 -0.552 0.000 0.934 129 G HN 0.711 8.803 8.290 -0.330 0.000 0.476 130 C N -0.142 118.671 119.300 -0.811 0.000 2.563 130 C HA 0.806 nan 4.460 nan 0.000 0.314 130 C C -1.413 173.403 174.990 -0.290 0.000 1.199 130 C CA -1.399 57.366 59.018 -0.422 0.000 1.564 130 C CB 3.029 30.597 27.740 -0.287 0.000 2.173 130 C HN 0.737 8.287 8.230 -1.132 0.000 0.485 131 E N 0.289 120.385 120.200 -0.174 0.000 2.275 131 E HA 0.650 nan 4.350 nan 0.000 0.270 131 E C -2.569 173.759 176.600 -0.453 0.000 0.882 131 E CA -1.311 54.956 56.400 -0.223 0.000 0.758 131 E CB 3.458 33.082 29.700 -0.126 0.000 1.195 131 E HN 0.511 8.678 8.360 -0.145 0.107 0.419 132 V N 3.628 123.220 119.914 -0.537 0.000 2.487 132 V HA 0.795 nan 4.120 nan 0.000 0.298 132 V C -2.452 173.273 176.094 -0.616 0.000 1.028 132 V CA -1.880 60.117 62.300 -0.504 0.000 0.860 132 V CB 2.374 34.041 31.823 -0.259 0.000 0.991 132 V HN 0.822 8.767 8.190 -0.407 0.000 0.427 133 F N 7.482 127.407 119.950 -0.042 0.000 2.458 133 F HA 0.728 nan 4.527 nan 0.000 0.336 133 F C 0.227 176.004 175.800 -0.039 0.000 1.114 133 F CA -2.758 55.215 58.000 -0.044 0.000 0.987 133 F CB 1.654 40.644 39.000 -0.018 0.000 1.130 133 F HN 0.571 8.765 8.300 -0.176 0.000 0.458 134 G N 2.675 111.563 108.800 0.147 0.000 2.184 134 G HA2 -0.360 nan 3.960 nan 0.000 0.206 134 G HA3 -0.360 nan 3.960 nan 0.000 0.206 134 G C -1.384 173.538 174.900 0.037 0.000 0.995 134 G CA -0.015 45.130 45.100 0.074 0.000 0.651 134 G HN 0.567 8.949 8.290 0.154 0.000 0.511 135 L N 0.649 121.888 121.223 0.026 0.000 2.349 135 L HA 0.233 nan 4.340 nan 0.000 0.278 135 L C -0.586 176.310 176.870 0.042 0.000 0.996 135 L CA -1.407 53.450 54.840 0.029 0.000 0.825 135 L CB 0.932 43.005 42.059 0.023 0.000 1.243 135 L HN -0.513 7.727 8.230 0.017 0.000 0.412 136 Q N 5.485 125.320 119.800 0.058 0.000 2.063 136 Q HA -0.108 nan 4.340 nan 0.000 0.194 136 Q C -0.032 176.086 176.000 0.196 0.000 0.974 136 Q CA 1.033 56.888 55.803 0.085 0.000 0.827 136 Q CB 0.324 29.098 28.738 0.061 0.000 0.902 136 Q HN 0.430 8.730 8.270 0.050 0.000 0.462 137 G N -1.265 107.633 108.800 0.162 0.000 2.902 137 G HA2 -0.166 nan 3.960 nan 0.000 0.240 137 G HA3 -0.166 nan 3.960 nan 0.000 0.240 137 G C -1.291 173.667 174.900 0.097 0.000 1.244 137 G CA -1.173 44.023 45.100 0.159 0.000 0.862 137 G HN -0.146 8.206 8.290 0.104 0.000 0.603 138 P HA 0.052 nan 4.420 nan 0.000 0.233 138 P C 0.178 177.396 177.300 -0.137 0.000 1.167 138 P CA 0.766 63.665 63.100 -0.334 0.000 0.770 138 P CB 0.345 31.716 31.700 -0.548 0.000 0.837 139 D N -0.277 120.080 120.400 -0.073 0.000 2.087 139 D HA -0.304 nan 4.640 nan 0.000 0.192 139 D C 2.016 178.306 176.300 -0.017 0.000 0.993 139 D CA 3.044 57.020 54.000 -0.040 0.000 0.828 139 D CB -1.512 39.279 40.800 -0.015 0.000 0.968 139 D HN 0.479 8.756 8.370 -0.059 0.058 0.448 140 I N -0.624 119.953 120.570 0.012 0.000 2.361 140 I HA -0.365 nan 4.170 nan 0.000 0.251 140 I C 0.645 176.781 176.117 0.031 0.000 1.133 140 I CA 1.900 63.220 61.300 0.034 0.000 1.413 140 I CB -0.051 37.975 38.000 0.044 0.000 1.073 140 I HN -0.457 7.764 8.210 0.018 0.000 0.424 141 D N 0.337 120.748 120.400 0.019 0.000 2.084 141 D HA -0.377 nan 4.640 nan 0.000 0.194 141 D C 2.104 178.354 176.300 -0.082 0.000 0.990 141 D CA 4.404 58.410 54.000 0.010 0.000 0.826 141 D CB -0.694 40.114 40.800 0.013 0.000 0.971 141 D HN -0.266 7.997 8.370 0.013 0.115 0.453 142 A N -0.931 121.830 122.820 -0.099 0.000 1.908 142 A HA -0.314 nan 4.320 nan 0.000 0.218 142 A C 1.731 179.258 177.584 -0.096 0.000 1.181 142 A CA 3.088 55.054 52.037 -0.118 0.000 0.627 142 A CB -0.754 18.187 19.000 -0.098 0.000 0.818 142 A HN 0.086 8.184 8.150 -0.087 0.000 0.445 143 E N -0.453 119.718 120.200 -0.048 0.000 2.049 143 E HA -0.362 nan 4.350 nan 0.000 0.198 143 E C 2.249 178.768 176.600 -0.135 0.000 1.007 143 E CA 3.074 59.455 56.400 -0.032 0.000 0.809 143 E CB -0.040 29.690 29.700 0.050 0.000 0.749 143 E HN -0.481 7.774 8.360 -0.028 0.088 0.450 144 L N -1.471 119.699 121.223 -0.089 0.000 2.079 144 L HA -0.325 nan 4.340 nan 0.000 0.210 144 L C 2.385 179.062 176.870 -0.322 0.000 1.081 144 L CA 3.357 58.124 54.840 -0.121 0.000 0.752 144 L CB -0.442 41.699 42.059 0.136 0.000 0.896 144 L HN -0.272 7.946 8.230 -0.020 0.000 0.433 145 I N -1.599 118.793 120.570 -0.298 0.000 2.394 145 I HA -0.601 nan 4.170 nan 0.000 0.251 145 I C 2.117 178.145 176.117 -0.148 0.000 1.136 145 I CA 3.729 64.882 61.300 -0.245 0.000 1.425 145 I CB -0.399 37.428 38.000 -0.288 0.000 1.079 145 I HN -0.509 7.459 8.210 -0.252 0.091 0.425 146 M N 0.206 119.695 119.600 -0.185 0.000 2.132 146 M HA -0.390 nan 4.480 nan 0.000 0.263 146 M C 2.058 178.160 176.300 -0.330 0.000 1.065 146 M CA 4.392 59.599 55.300 -0.155 0.000 1.122 146 M CB 0.095 32.658 32.600 -0.061 0.000 1.365 146 M HN -0.134 7.940 8.290 -0.182 0.107 0.411 147 L N -1.267 119.598 121.223 -0.596 0.000 2.012 147 L HA -0.455 nan 4.340 nan 0.000 0.210 147 L C 1.698 177.798 176.870 -1.283 0.000 1.073 147 L CA 3.586 57.785 54.840 -1.069 0.000 0.748 147 L CB 0.021 41.266 42.059 -1.357 0.000 0.891 147 L HN 0.174 8.084 8.230 -0.534 0.000 0.431 148 T N -4.024 109.801 114.554 -1.216 0.000 2.867 148 T HA -0.272 nan 4.350 nan 0.000 0.268 148 T C 1.583 175.258 174.700 -1.708 0.000 1.057 148 T CA 3.547 64.738 62.100 -1.515 0.000 1.136 148 T CB -0.676 67.529 68.868 -1.104 0.000 0.874 148 T HN -0.337 7.349 8.240 -0.925 0.000 0.466 149 A N 2.689 124.950 122.820 -0.932 0.000 1.877 149 A HA -0.298 nan 4.320 nan 0.000 0.216 149 A C 1.611 178.881 177.584 -0.523 0.000 1.186 149 A CA 3.029 54.723 52.037 -0.572 0.000 0.620 149 A CB -0.902 18.051 19.000 -0.079 0.000 0.822 149 A HN -0.230 7.446 8.150 -0.620 0.103 0.443 150 R N -1.341 118.887 120.500 -0.452 0.000 2.105 150 R HA -0.338 nan 4.340 nan 0.000 0.239 150 R C 2.064 178.234 176.300 -0.217 0.000 1.135 150 R CA 3.390 59.337 56.100 -0.256 0.000 0.967 150 R CB -0.115 30.088 30.300 -0.162 0.000 0.861 150 R HN -0.065 7.839 8.270 -0.490 0.073 0.442 151 W N -1.975 118.948 121.300 -0.629 0.000 2.358 151 W HA -0.249 nan 4.660 nan 0.000 0.303 151 W C 2.358 178.660 176.519 -0.362 0.000 1.208 151 W CA 2.195 59.174 57.345 -0.609 0.000 1.274 151 W CB -0.947 27.942 29.460 -0.952 0.000 1.138 151 W HN -0.572 7.012 8.180 -0.822 0.103 0.515 152 W N -3.019 118.265 121.300 -0.027 0.000 2.358 152 W HA -0.542 nan 4.660 nan 0.000 0.303 152 W C 2.061 178.562 176.519 -0.029 0.000 1.208 152 W CA 1.588 58.882 57.345 -0.086 0.000 1.274 152 W CB -0.537 28.813 29.460 -0.182 0.000 1.138 152 W HN -0.474 7.038 8.180 -1.114 0.000 0.515 153 R N -0.354 120.244 120.500 0.163 0.000 2.073 153 R HA -0.384 nan 4.340 nan 0.000 0.234 153 R C 2.938 179.294 176.300 0.093 0.000 1.134 153 R CA 3.211 59.376 56.100 0.108 0.000 0.952 153 R CB -0.282 30.050 30.300 0.054 0.000 0.850 153 R HN -0.429 7.877 8.270 0.070 0.006 0.433 154 A N -0.277 122.590 122.820 0.078 0.000 1.933 154 A HA -0.185 nan 4.320 nan 0.000 0.218 154 A C 1.669 179.316 177.584 0.105 0.000 1.175 154 A CA 2.617 54.702 52.037 0.080 0.000 0.628 154 A CB -0.457 18.589 19.000 0.076 0.000 0.814 154 A HN -0.039 8.147 8.150 0.060 0.000 0.444 155 L N -5.598 115.686 121.223 0.102 0.000 2.558 155 L HA -0.038 nan 4.340 nan 0.000 0.225 155 L C 0.517 177.433 176.870 0.077 0.000 1.128 155 L CA -0.013 54.868 54.840 0.068 0.000 0.868 155 L CB 0.271 42.322 42.059 -0.014 0.000 1.006 155 L HN -0.135 8.151 8.230 0.115 0.014 0.454 156 G N -0.727 108.139 108.800 0.110 0.000 2.221 156 G HA2 -0.304 nan 3.960 nan 0.000 0.265 156 G HA3 -0.304 nan 3.960 nan 0.000 0.265 156 G C 0.439 175.393 174.900 0.090 0.000 1.041 156 G CA 1.035 46.197 45.100 0.102 0.000 0.807 156 G HN -0.333 7.834 8.290 0.123 0.197 0.502 157 I N -9.719 110.916 120.570 0.108 0.000 4.025 157 I HA 0.347 nan 4.170 nan 0.000 0.336 157 I C 0.707 176.920 176.117 0.160 0.000 1.390 157 I CA -1.598 59.754 61.300 0.086 0.000 1.099 157 I CB 0.434 38.406 38.000 -0.045 0.000 1.049 157 I HN -0.065 8.237 8.210 0.153 0.000 0.394 158 S N 3.326 119.135 115.700 0.181 0.000 2.399 158 S HA -0.436 nan 4.470 nan 0.000 0.235 158 S C 1.669 176.325 174.600 0.094 0.000 1.063 158 S CA 3.784 62.083 58.200 0.165 0.000 1.070 158 S CB -0.468 62.831 63.200 0.164 0.000 0.904 158 S HN -0.508 7.854 8.310 0.189 0.061 0.456 159 E N -0.946 119.306 120.200 0.087 0.000 2.505 159 E HA -0.094 nan 4.350 nan 0.000 0.197 159 E C 0.400 176.752 176.600 -0.414 0.000 1.111 159 E CA 0.869 57.197 56.400 -0.119 0.000 0.887 159 E CB -1.195 28.410 29.700 -0.159 0.000 0.913 159 E HN 0.350 8.790 8.360 0.158 0.015 0.517 160 H N -3.892 115.146 119.070 -0.053 0.000 3.230 160 H HA 0.208 nan 4.556 nan 0.000 0.259 160 H C -1.796 173.459 175.328 -0.122 0.000 1.195 160 H CA -0.268 55.732 56.048 -0.080 0.000 1.112 160 H CB 1.207 30.915 29.762 -0.089 0.000 1.638 160 H HN 0.210 8.350 8.280 0.097 0.198 0.624 161 V N -4.473 115.402 119.914 -0.065 0.000 2.540 161 V HA 0.621 nan 4.120 nan 0.000 0.302 161 V C -0.827 175.353 176.094 0.143 0.000 1.035 161 V CA -2.489 59.760 62.300 -0.085 0.000 0.873 161 V CB 0.671 32.157 31.823 -0.562 0.000 0.992 161 V HN -0.839 7.322 8.190 -0.048 0.000 0.428 162 T N 6.146 120.780 114.554 0.133 0.000 2.918 162 T HA 0.505 nan 4.350 nan 0.000 0.286 162 T C -1.936 172.699 174.700 -0.108 0.000 1.026 162 T CA -1.313 60.818 62.100 0.052 0.000 1.031 162 T CB 2.402 71.266 68.868 -0.006 0.000 1.046 162 T HN 0.548 8.736 8.240 0.090 0.106 0.479 163 L N 2.352 123.358 121.223 -0.362 0.000 2.307 163 L HA 0.617 nan 4.340 nan 0.000 0.284 163 L C -2.058 174.642 176.870 -0.283 0.000 1.023 163 L CA -1.534 52.893 54.840 -0.688 0.000 0.810 163 L CB 2.655 44.091 42.059 -1.039 0.000 1.231 163 L HN 0.467 8.558 8.230 -0.232 0.000 0.423 164 E N 5.470 125.545 120.200 -0.208 0.000 2.191 164 E HA 0.603 nan 4.350 nan 0.000 0.263 164 E C -1.538 175.059 176.600 -0.004 0.000 0.881 164 E CA -1.253 55.114 56.400 -0.057 0.000 0.757 164 E CB 2.640 32.325 29.700 -0.025 0.000 1.147 164 E HN 0.365 8.566 8.360 -0.265 0.000 0.414 165 L N 2.439 123.681 121.223 0.032 0.000 2.286 165 L HA 0.854 nan 4.340 nan 0.000 0.265 165 L C -1.655 175.336 176.870 0.202 0.000 1.012 165 L CA -1.585 53.328 54.840 0.122 0.000 0.818 165 L CB 3.083 45.134 42.059 -0.013 0.000 1.337 165 L HN 0.547 8.802 8.230 0.042 0.000 0.438 166 N N -1.942 116.895 118.700 0.229 0.000 4.107 166 N HA 0.073 nan 4.740 nan 0.000 0.213 166 N C -3.055 172.097 175.510 -0.597 0.000 1.216 166 N CA 0.409 53.301 53.050 -0.263 0.000 0.925 166 N CB 3.467 41.870 38.487 -0.139 0.000 1.541 166 N HN -0.201 8.415 8.380 0.393 0.000 0.524 167 S N 1.343 116.426 115.700 -1.028 0.000 2.501 167 S HA 0.574 nan 4.470 nan 0.000 0.301 167 S C -0.789 173.635 174.600 -0.293 0.000 1.096 167 S CA -2.080 55.756 58.200 -0.606 0.000 1.063 167 S CB 1.243 64.039 63.200 -0.674 0.000 1.042 167 S HN 0.148 7.820 8.310 -1.064 0.000 0.494 168 I N 3.758 124.254 120.570 -0.124 0.000 4.139 168 I HA 0.171 nan 4.170 nan 0.000 0.320 168 I C 0.315 176.415 176.117 -0.028 0.000 1.290 168 I CA -1.691 59.575 61.300 -0.056 0.000 1.253 168 I CB 0.534 38.540 38.000 0.009 0.000 1.122 168 I HN 0.536 8.565 8.210 -0.072 0.138 0.421 230 D N 0.557 120.961 120.400 0.005 0.000 2.312 230 D HA 0.138 nan 4.640 nan 0.000 0.248 230 D C 0.720 177.036 176.300 0.026 0.000 1.086 230 D CA -0.614 53.395 54.000 0.015 0.000 0.948 230 D CB 1.171 41.979 40.800 0.013 0.000 1.162 230 D HN -0.010 8.360 8.370 0.000 0.000 0.446 231 E N 2.377 122.594 120.200 0.028 0.000 2.038 231 E HA -0.481 nan 4.350 nan 0.000 0.195 231 E C 1.449 178.078 176.600 0.049 0.000 1.000 231 E CA 3.627 60.049 56.400 0.036 0.000 0.803 231 E CB -0.343 29.375 29.700 0.030 0.000 0.750 231 E HN 0.464 8.837 8.360 0.023 0.000 0.448 232 E N -0.736 119.491 120.200 0.044 0.000 2.085 232 E HA -0.262 nan 4.350 nan 0.000 0.194 232 E C 2.546 179.196 176.600 0.083 0.000 0.994 232 E CA 2.705 59.139 56.400 0.055 0.000 0.801 232 E CB -0.761 28.960 29.700 0.035 0.000 0.743 232 E HN 0.325 8.705 8.360 0.034 0.000 0.453 233 S N 0.117 115.856 115.700 0.065 0.000 2.402 233 S HA -0.275 nan 4.470 nan 0.000 0.229 233 S C 2.212 176.907 174.600 0.158 0.000 1.021 233 S CA 3.046 61.301 58.200 0.091 0.000 0.974 233 S CB -0.208 63.011 63.200 0.033 0.000 0.800 233 S HN -0.367 8.216 8.310 0.042 -0.247 0.484 234 R N 1.347 121.916 120.500 0.117 0.000 2.066 234 R HA -0.332 nan 4.340 nan 0.000 0.232 234 R C 2.366 178.757 176.300 0.152 0.000 1.131 234 R CA 3.868 60.049 56.100 0.134 0.000 0.955 234 R CB -0.037 30.314 30.300 0.086 0.000 0.851 234 R HN -0.106 8.101 8.270 0.082 0.112 0.432 235 E N -1.893 118.382 120.200 0.124 0.000 2.110 235 E HA -0.347 nan 4.350 nan 0.000 0.193 235 E C 2.111 178.784 176.600 0.120 0.000 0.988 235 E CA 2.917 59.377 56.400 0.100 0.000 0.804 235 E CB -0.723 29.025 29.700 0.079 0.000 0.745 235 E HN -0.169 8.256 8.360 0.109 0.000 0.458 236 H N 2.259 121.374 119.070 0.075 0.000 2.299 236 H HA -0.277 nan 4.556 nan 0.000 0.302 236 H C 1.998 177.389 175.328 0.104 0.000 1.078 236 H CA 3.980 60.075 56.048 0.079 0.000 1.323 236 H CB 0.430 30.246 29.762 0.089 0.000 1.381 236 H HN -0.395 8.033 8.280 0.261 0.009 0.498 237 F N -0.201 119.815 119.950 0.109 0.000 2.161 237 F HA -0.442 nan 4.527 nan 0.000 0.300 237 F C 1.296 177.052 175.800 -0.073 0.000 1.089 237 F CA 3.189 61.194 58.000 0.009 0.000 1.282 237 F CB -0.209 38.808 39.000 0.028 0.000 1.010 237 F HN 0.259 8.723 8.300 0.454 0.109 0.485 238 A N -1.099 121.722 122.820 0.000 0.000 1.858 238 A HA -0.376 nan 4.320 nan 0.000 0.216 238 A C 1.998 179.488 177.584 -0.157 0.000 1.190 238 A CA 3.417 55.401 52.037 -0.088 0.000 0.617 238 A CB -1.086 17.918 19.000 0.008 0.000 0.827 238 A HN 0.153 8.379 8.150 0.142 0.009 0.443 239 G N -1.323 107.400 108.800 -0.127 0.000 2.476 239 G HA2 -0.377 nan 3.960 nan 0.000 0.218 239 G HA3 -0.377 nan 3.960 nan 0.000 0.218 239 G C 0.944 175.716 174.900 -0.213 0.000 1.164 239 G CA 1.971 46.983 45.100 -0.148 0.000 0.768 239 G HN -0.024 8.220 8.290 -0.076 0.000 0.560 240 L N 0.651 121.688 121.223 -0.311 0.000 2.012 240 L HA -0.312 nan 4.340 nan 0.000 0.210 240 L C 1.797 178.459 176.870 -0.347 0.000 1.073 240 L CA 3.274 57.912 54.840 -0.337 0.000 0.748 240 L CB -0.126 41.702 42.059 -0.385 0.000 0.891 240 L HN -0.189 7.840 8.230 -0.335 0.000 0.431 241 C N -1.860 117.154 119.300 -0.478 0.000 2.413 241 C HA -0.467 nan 4.460 nan 0.000 0.277 241 C C 1.981 176.913 174.990 -0.096 0.000 1.265 241 C CA 4.208 62.980 59.018 -0.410 0.000 1.752 241 C CB -2.109 25.325 27.740 -0.510 0.000 1.998 241 C HN 0.171 7.997 8.230 -0.567 0.064 0.489 242 K N 0.660 120.997 120.400 -0.105 0.000 2.097 242 K HA -0.289 nan 4.320 nan 0.000 0.205 242 K C 1.824 178.399 176.600 -0.042 0.000 1.050 242 K CA 2.853 59.113 56.287 -0.046 0.000 0.938 242 K CB -1.298 31.173 32.500 -0.048 0.000 0.718 242 K HN 0.140 8.200 8.250 -0.154 0.097 0.442 243 L N -0.826 120.354 121.223 -0.072 0.000 2.079 243 L HA -0.352 nan 4.340 nan 0.000 0.210 243 L C 2.489 179.335 176.870 -0.039 0.000 1.081 243 L CA 2.964 57.767 54.840 -0.061 0.000 0.752 243 L CB -0.453 41.554 42.059 -0.085 0.000 0.896 243 L HN -0.346 7.819 8.230 -0.108 0.000 0.433 244 L N -2.115 119.090 121.223 -0.030 0.000 2.027 244 L HA -0.458 nan 4.340 nan 0.000 0.206 244 L C 2.221 179.112 176.870 0.035 0.000 1.074 244 L CA 3.153 58.006 54.840 0.021 0.000 0.745 244 L CB -0.805 41.308 42.059 0.089 0.000 0.898 244 L HN -0.380 7.801 8.230 -0.061 0.012 0.433 245 E N -0.442 119.786 120.200 0.046 0.000 2.049 245 E HA -0.436 nan 4.350 nan 0.000 0.198 245 E C 3.294 179.880 176.600 -0.024 0.000 1.007 245 E CA 3.356 59.747 56.400 -0.015 0.000 0.809 245 E CB -0.333 29.358 29.700 -0.015 0.000 0.749 245 E HN -0.303 8.107 8.360 0.084 0.000 0.450 246 S N 1.167 116.856 115.700 -0.017 0.000 2.359 246 S HA -0.313 nan 4.470 nan 0.000 0.224 246 S C 1.683 176.273 174.600 -0.017 0.000 1.035 246 S CA 2.566 60.755 58.200 -0.020 0.000 1.018 246 S CB -0.054 63.134 63.200 -0.020 0.000 0.876 246 S HN -0.283 8.019 8.310 -0.014 0.000 0.448 247 A N -1.185 121.628 122.820 -0.013 0.000 2.225 247 A HA -0.096 nan 4.320 nan 0.000 0.215 247 A C 0.264 177.847 177.584 -0.002 0.000 1.164 247 A CA 0.300 52.333 52.037 -0.008 0.000 0.710 247 A CB -0.166 18.831 19.000 -0.005 0.000 0.780 247 A HN -0.328 7.749 8.150 -0.013 0.066 0.473 248 G N -2.861 105.933 108.800 -0.010 0.000 2.153 248 G HA2 -0.414 nan 3.960 nan 0.000 0.252 248 G HA3 -0.414 nan 3.960 nan 0.000 0.252 248 G C -0.339 174.561 174.900 0.001 0.000 0.994 248 G CA 0.103 45.196 45.100 -0.013 0.000 0.698 248 G HN -0.280 7.784 8.290 -0.016 0.216 0.521 249 I N 1.709 122.288 120.570 0.014 0.000 2.312 249 I HA -0.117 nan 4.170 nan 0.000 0.291 249 I C -1.238 174.877 176.117 -0.003 0.000 1.031 249 I CA -0.172 61.160 61.300 0.053 0.000 1.293 249 I CB 0.166 38.217 38.000 0.084 0.000 1.403 249 I HN -0.519 7.654 8.210 0.009 0.043 0.484 250 A N 9.143 131.952 122.820 -0.019 0.000 2.302 250 A HA 0.250 nan 4.320 nan 0.000 0.295 250 A C -1.605 175.913 177.584 -0.110 0.000 1.235 250 A CA -0.445 51.516 52.037 -0.127 0.000 0.876 250 A CB 0.493 19.437 19.000 -0.093 0.000 1.133 250 A HN 0.388 8.561 8.150 0.039 0.000 0.533 251 Y N 0.225 120.455 120.300 -0.117 0.000 2.650 251 Y HA 0.721 nan 4.550 nan 0.000 0.331 251 Y C -1.251 174.588 175.900 -0.101 0.000 1.082 251 Y CA -3.338 54.669 58.100 -0.154 0.000 1.171 251 Y CB 1.334 39.686 38.460 -0.180 0.000 1.326 251 Y HN -0.126 7.745 8.280 -0.681 0.000 0.513 252 T N 3.382 118.102 114.554 0.276 0.000 2.965 252 T HA 0.292 nan 4.350 nan 0.000 0.306 252 T C -1.528 173.293 174.700 0.201 0.000 0.991 252 T CA 0.145 62.358 62.100 0.190 0.000 1.001 252 T CB 1.318 70.219 68.868 0.054 0.000 0.984 252 T HN -0.004 8.361 8.240 0.208 0.000 0.446 253 V N 5.807 125.868 119.914 0.245 0.000 2.508 253 V HA 0.231 nan 4.120 nan 0.000 0.281 253 V C -0.737 175.421 176.094 0.108 0.000 1.041 253 V CA -0.051 62.357 62.300 0.180 0.000 1.016 253 V CB -0.395 31.568 31.823 0.234 0.000 0.984 253 V HN 0.364 8.737 8.190 0.306 0.000 0.478 254 N N 7.049 125.790 118.700 0.069 0.000 2.399 254 N HA 0.259 nan 4.740 nan 0.000 0.284 254 N C -0.040 175.468 175.510 -0.005 0.000 1.025 254 N CA -0.878 52.189 53.050 0.028 0.000 0.885 254 N CB 2.772 41.270 38.487 0.017 0.000 1.339 254 N HN 0.572 8.998 8.380 0.077 0.000 0.487 255 Q N 4.354 124.147 119.800 -0.011 0.000 2.425 255 Q HA 0.009 nan 4.340 nan 0.000 0.204 255 Q C 0.826 176.807 176.000 -0.032 0.000 0.933 255 Q CA 1.699 57.480 55.803 -0.035 0.000 0.939 255 Q CB 0.428 29.149 28.738 -0.028 0.000 1.044 255 Q HN 0.512 8.783 8.270 0.002 0.000 0.513 256 R N -2.349 118.139 120.500 -0.020 0.000 2.359 256 R HA 0.145 nan 4.340 nan 0.000 0.231 256 R C -1.078 175.210 176.300 -0.019 0.000 0.913 256 R CA -1.457 54.633 56.100 -0.017 0.000 1.075 256 R CB 0.098 30.392 30.300 -0.010 0.000 1.087 256 R HN 0.089 8.631 8.270 -0.013 -0.280 0.515 257 L N 1.997 123.205 121.223 -0.025 0.000 2.325 257 L HA 0.008 nan 4.340 nan 0.000 0.284 257 L C -1.328 175.519 176.870 -0.038 0.000 1.089 257 L CA 0.463 55.286 54.840 -0.029 0.000 0.836 257 L CB 0.439 42.482 42.059 -0.027 0.000 1.184 257 L HN -0.765 7.414 8.230 -0.029 0.034 0.444 258 V N -0.104 119.793 119.914 -0.027 0.000 2.638 258 V HA 0.324 nan 4.120 nan 0.000 0.306 258 V C -1.185 174.905 176.094 -0.006 0.000 1.052 258 V CA -1.925 60.366 62.300 -0.015 0.000 0.885 258 V CB 2.189 34.013 31.823 0.001 0.000 0.999 258 V HN -0.168 8.010 8.190 -0.021 0.000 0.424 259 R N 3.610 124.114 120.500 0.007 0.000 2.615 259 R HA 0.147 nan 4.340 nan 0.000 0.270 259 R C 0.970 177.323 176.300 0.088 0.000 1.081 259 R CA 0.244 56.372 56.100 0.047 0.000 1.154 259 R CB 0.674 31.015 30.300 0.068 0.000 1.063 259 R HN 0.118 8.395 8.270 0.012 0.000 0.519 260 G N 0.256 109.096 108.800 0.068 0.000 2.848 260 G HA2 -0.081 nan 3.960 nan 0.000 0.208 260 G HA3 -0.081 nan 3.960 nan 0.000 0.208 260 G C -1.026 173.864 174.900 -0.017 0.000 1.152 260 G CA 0.149 45.266 45.100 0.027 0.000 0.789 260 G HN 0.381 8.712 8.290 0.069 0.000 0.531 261 L N -1.030 120.165 121.223 -0.046 0.000 2.334 261 L HA 0.173 nan 4.340 nan 0.000 0.273 261 L C -0.419 176.244 176.870 -0.346 0.000 1.013 261 L CA -0.968 53.678 54.840 -0.325 0.000 0.816 261 L CB 1.507 43.120 42.059 -0.743 0.000 1.278 261 L HN -0.859 7.346 8.230 0.097 0.083 0.431 262 D N 2.621 122.813 120.400 -0.346 0.000 2.325 262 D HA -0.001 nan 4.640 nan 0.000 0.225 262 D C -0.135 176.092 176.300 -0.122 0.000 1.096 262 D CA 2.197 56.095 54.000 -0.169 0.000 0.844 262 D CB 0.070 40.829 40.800 -0.068 0.000 0.925 262 D HN 0.143 8.306 8.370 -0.346 0.000 0.513 263 Y N -5.118 115.073 120.300 -0.182 0.000 2.457 263 Y HA 0.147 nan 4.550 nan 0.000 0.263 263 Y C -0.908 174.958 175.900 -0.057 0.000 1.164 263 Y CA -3.462 54.559 58.100 -0.131 0.000 1.274 263 Y CB -1.168 37.202 38.460 -0.151 0.000 1.097 263 Y HN -0.686 6.898 8.280 -1.063 0.058 0.523 264 Y N -0.298 120.204 120.300 0.336 0.000 2.511 264 Y HA -0.225 nan 4.550 nan 0.000 0.332 264 Y C 0.347 176.368 175.900 0.202 0.000 1.177 264 Y CA 0.821 59.105 58.100 0.306 0.000 1.422 264 Y CB 0.015 38.585 38.460 0.183 0.000 1.271 264 Y HN -0.720 7.441 8.280 -0.107 0.054 0.550 265 N N 4.642 123.583 118.700 0.401 0.000 2.223 265 N HA 0.023 nan 4.740 nan 0.000 0.258 265 N C -0.093 175.507 175.510 0.151 0.000 1.251 265 N CA -0.993 52.187 53.050 0.216 0.000 0.894 265 N CB 1.413 40.002 38.487 0.170 0.000 1.204 265 N HN 0.270 8.838 8.380 0.527 0.128 0.398 266 R N -0.259 120.296 120.500 0.093 0.000 2.082 266 R HA -0.027 nan 4.340 nan 0.000 0.218 266 R C 1.089 177.459 176.300 0.117 0.000 1.171 266 R CA 2.930 59.067 56.100 0.062 0.000 0.914 266 R CB 0.303 30.600 30.300 -0.004 0.000 0.806 266 R HN 0.232 8.544 8.270 0.070 0.000 0.453 267 T N 1.477 116.167 114.554 0.227 0.000 2.928 267 T HA 0.031 nan 4.350 nan 0.000 0.305 267 T C -1.438 173.392 174.700 0.217 0.000 1.035 267 T CA 2.476 64.754 62.100 0.297 0.000 1.145 267 T CB -0.101 68.995 68.868 0.380 0.000 0.963 267 T HN -0.070 8.313 8.240 0.240 0.000 0.545 268 V N 5.466 125.490 119.914 0.184 0.000 2.932 268 V HA 0.796 nan 4.120 nan 0.000 0.307 268 V C -2.334 173.854 176.094 0.156 0.000 1.147 268 V CA -0.509 61.789 62.300 -0.004 0.000 0.951 268 V CB 3.695 35.426 31.823 -0.153 0.000 1.031 268 V HN -0.033 8.299 8.190 0.235 0.000 0.426 269 F N 2.026 121.935 119.950 -0.069 0.000 2.745 269 F HA 0.879 nan 4.527 nan 0.000 0.316 269 F C -2.523 173.247 175.800 -0.050 0.000 1.155 269 F CA -2.065 55.893 58.000 -0.070 0.000 0.937 269 F CB 3.220 42.167 39.000 -0.089 0.000 1.361 269 F HN 0.263 8.261 8.300 -0.504 0.000 0.472 270 E N -2.391 117.889 120.200 0.133 0.000 2.381 270 E HA 0.321 nan 4.350 nan 0.000 0.286 270 E C -2.189 174.453 176.600 0.070 0.000 0.960 270 E CA -0.080 56.374 56.400 0.090 0.000 0.793 270 E CB 4.672 34.386 29.700 0.022 0.000 1.225 270 E HN -0.019 8.422 8.360 0.135 0.000 0.420 271 W N 1.719 123.111 121.300 0.154 0.000 2.376 271 W HA 0.305 nan 4.660 nan 0.000 0.312 271 W C -1.187 175.313 176.519 -0.031 0.000 1.060 271 W CA -0.475 56.909 57.345 0.065 0.000 1.221 271 W CB 1.212 30.729 29.460 0.093 0.000 1.281 271 W HN 0.952 9.309 8.180 0.478 0.109 0.456 272 V N 4.327 124.325 119.914 0.141 0.000 2.919 272 V HA 0.796 nan 4.120 nan 0.000 0.316 272 V C -1.234 174.867 176.094 0.011 0.000 1.077 272 V CA -2.362 59.969 62.300 0.052 0.000 0.977 272 V CB 3.373 35.212 31.823 0.026 0.000 1.039 272 V HN 0.563 8.828 8.190 0.125 0.000 0.441 273 T N -1.509 113.038 114.554 -0.012 0.000 2.930 273 T HA 0.612 nan 4.350 nan 0.000 0.290 273 T C 0.349 175.047 174.700 -0.004 0.000 1.052 273 T CA -1.609 60.481 62.100 -0.016 0.000 1.017 273 T CB 2.545 71.390 68.868 -0.039 0.000 1.137 273 T HN 0.385 8.619 8.240 -0.010 0.000 0.511 274 N N 0.749 119.456 118.700 0.012 0.000 2.282 274 N HA 0.191 nan 4.740 nan 0.000 0.185 274 N C 0.818 176.338 175.510 0.016 0.000 1.099 274 N CA 1.758 54.815 53.050 0.012 0.000 0.878 274 N CB 0.804 39.298 38.487 0.012 0.000 0.993 274 N HN 0.615 9.012 8.380 0.029 0.000 0.481 275 S N -0.172 115.539 115.700 0.019 0.000 2.631 275 S HA -0.036 nan 4.470 nan 0.000 0.217 275 S C -0.457 174.137 174.600 -0.010 0.000 0.958 275 S CA 0.487 58.691 58.200 0.007 0.000 0.920 275 S CB -0.054 63.141 63.200 -0.008 0.000 0.776 275 S HN -0.003 8.276 8.310 0.022 0.045 0.517 276 L N 0.058 121.274 121.223 -0.012 0.000 3.762 276 L HA -0.279 nan 4.340 nan 0.000 0.460 276 L C 0.542 177.398 176.870 -0.023 0.000 1.255 276 L CA 0.462 55.291 54.840 -0.018 0.000 0.783 276 L CB -1.866 40.185 42.059 -0.014 0.000 1.600 276 L HN -0.363 7.767 8.230 -0.009 0.096 0.862 277 G N -2.377 106.404 108.800 -0.032 0.000 2.848 277 G HA2 -0.175 nan 3.960 nan 0.000 0.208 277 G HA3 -0.175 nan 3.960 nan 0.000 0.208 277 G C -1.426 173.458 174.900 -0.027 0.000 1.152 277 G CA 0.653 45.732 45.100 -0.035 0.000 0.789 277 G HN -0.017 8.252 8.290 -0.035 0.000 0.531 278 S N -1.664 114.014 115.700 -0.035 0.000 3.341 278 S HA 0.258 nan 4.470 nan 0.000 0.326 278 S C -1.061 173.506 174.600 -0.056 0.000 1.178 278 S CA 0.109 58.279 58.200 -0.051 0.000 1.002 278 S CB 0.419 63.592 63.200 -0.046 0.000 1.385 278 S HN -0.590 7.604 8.310 -0.034 0.096 0.710 279 Q N 0.159 119.919 119.800 -0.065 0.000 2.425 279 Q HA 0.252 nan 4.340 nan 0.000 0.204 279 Q C 0.050 176.029 176.000 -0.036 0.000 0.933 279 Q CA 1.094 56.864 55.803 -0.055 0.000 0.939 279 Q CB 0.511 29.211 28.738 -0.065 0.000 1.044 279 Q HN 0.577 8.801 8.270 -0.077 0.000 0.513 280 G N -3.163 105.618 108.800 -0.032 0.000 4.386 280 G HA2 -0.216 nan 3.960 nan 0.000 0.185 280 G HA3 -0.216 nan 3.960 nan 0.000 0.185 280 G C -1.782 173.113 174.900 -0.009 0.000 1.725 280 G CA 0.073 45.162 45.100 -0.019 0.000 0.941 280 G HN -0.438 7.750 8.290 -0.039 0.078 0.315 281 T N 2.108 116.661 114.554 -0.001 0.000 2.919 281 T HA 0.196 nan 4.350 nan 0.000 0.302 281 T C -0.698 174.023 174.700 0.034 0.000 1.031 281 T CA 0.954 63.071 62.100 0.029 0.000 1.127 281 T CB 0.618 69.507 68.868 0.035 0.000 0.952 281 T HN -0.536 7.698 8.240 -0.011 0.000 0.540 282 V N 4.973 124.931 119.914 0.072 0.000 3.151 282 V HA 0.346 nan 4.120 nan 0.000 0.241 282 V C -1.427 174.782 176.094 0.191 0.000 1.173 282 V CA 1.401 63.745 62.300 0.073 0.000 1.154 282 V CB 2.385 34.187 31.823 -0.035 0.000 0.898 282 V HN 0.533 8.787 8.190 0.108 0.000 0.473 283 C N -1.370 118.103 119.300 0.287 0.000 2.608 283 C HA 0.741 nan 4.460 nan 0.000 0.325 283 C C -2.640 172.560 174.990 0.350 0.000 1.147 283 C CA -1.652 57.613 59.018 0.412 0.000 1.359 283 C CB 2.206 30.297 27.740 0.586 0.000 1.912 283 C HN -0.510 7.888 8.230 0.279 0.000 0.466 284 A N 6.108 129.074 122.820 0.243 0.000 2.515 284 A HA 0.979 nan 4.320 nan 0.000 0.298 284 A C -2.595 174.924 177.584 -0.109 0.000 1.059 284 A CA -1.463 50.572 52.037 -0.003 0.000 0.698 284 A CB 3.516 22.526 19.000 0.017 0.000 1.289 284 A HN 0.377 8.717 8.150 0.317 0.000 0.404 285 G N -1.340 107.087 108.800 -0.622 0.000 2.570 285 G HA2 0.794 nan 3.960 nan 0.000 0.310 285 G HA3 0.794 nan 3.960 nan 0.000 0.310 285 G C -2.429 172.058 174.900 -0.688 0.000 1.266 285 G CA 0.026 44.848 45.100 -0.464 0.000 0.825 285 G HN -0.163 7.588 8.290 -0.897 0.000 0.483 286 G N -3.182 105.554 108.800 -0.108 0.000 2.317 286 G HA2 0.242 nan 3.960 nan 0.000 0.293 286 G HA3 0.242 nan 3.960 nan 0.000 0.293 286 G C -3.155 172.047 174.900 0.503 0.000 1.287 286 G CA 0.571 45.706 45.100 0.057 0.000 0.850 286 G HN -0.008 8.424 8.290 0.236 0.000 0.515 287 R N -0.159 120.623 120.500 0.470 0.000 2.573 287 R HA 0.859 nan 4.340 nan 0.000 0.272 287 R C -0.906 175.741 176.300 0.578 0.000 1.009 287 R CA -2.087 54.253 56.100 0.401 0.000 1.059 287 R CB 2.753 33.195 30.300 0.237 0.000 1.112 287 R HN 0.616 9.100 8.270 0.356 0.000 0.517 288 Y N 0.515 120.961 120.300 0.244 0.000 2.803 288 Y HA 0.236 nan 4.550 nan 0.000 0.265 288 Y C -1.838 174.125 175.900 0.105 0.000 0.992 288 Y CA -1.876 56.328 58.100 0.173 0.000 1.174 288 Y CB -0.566 37.910 38.460 0.027 0.000 1.154 288 Y HN 0.808 9.001 8.280 -0.145 0.000 0.582 289 D N 2.796 123.198 120.400 0.004 0.000 2.221 289 D HA -0.232 nan 4.640 nan 0.000 0.204 289 D C 1.276 177.597 176.300 0.034 0.000 0.982 289 D CA 3.361 57.346 54.000 -0.025 0.000 0.857 289 D CB -0.571 40.223 40.800 -0.010 0.000 0.934 289 D HN 0.124 8.531 8.370 0.060 0.000 0.475 290 G N -2.832 106.019 108.800 0.085 0.000 2.539 290 G HA2 -0.062 nan 3.960 nan 0.000 0.215 290 G HA3 -0.062 nan 3.960 nan 0.000 0.215 290 G C 1.002 175.961 174.900 0.098 0.000 1.141 290 G CA 0.401 45.552 45.100 0.084 0.000 0.806 290 G HN 0.045 8.372 8.290 0.116 0.033 0.533 291 L N 2.285 123.600 121.223 0.154 0.000 2.103 291 L HA -0.399 nan 4.340 nan 0.000 0.215 291 L C 1.681 178.601 176.870 0.082 0.000 1.080 291 L CA 2.815 57.734 54.840 0.132 0.000 0.764 291 L CB -0.093 42.051 42.059 0.142 0.000 0.890 291 L HN -0.732 7.621 8.230 0.205 0.000 0.435 292 V N -2.662 117.301 119.914 0.081 0.000 2.427 292 V HA -0.497 nan 4.120 nan 0.000 0.248 292 V C 2.204 178.296 176.094 -0.003 0.000 1.051 292 V CA 4.016 66.325 62.300 0.015 0.000 1.048 292 V CB -0.883 30.930 31.823 -0.018 0.000 0.666 292 V HN 0.035 8.265 8.190 0.107 0.024 0.456 293 E N -1.042 119.166 120.200 0.014 0.000 2.046 293 E HA -0.344 nan 4.350 nan 0.000 0.190 293 E C 2.542 179.143 176.600 0.002 0.000 0.982 293 E CA 2.998 59.400 56.400 0.004 0.000 0.800 293 E CB -0.271 29.438 29.700 0.014 0.000 0.756 293 E HN -0.321 8.058 8.360 0.032 0.000 0.449 294 Q N -0.272 119.539 119.800 0.018 0.000 2.133 294 Q HA -0.311 nan 4.340 nan 0.000 0.208 294 Q C 2.512 178.511 176.000 -0.002 0.000 0.991 294 Q CA 3.291 59.105 55.803 0.017 0.000 0.867 294 Q CB 0.125 28.887 28.738 0.040 0.000 0.911 294 Q HN -0.453 7.837 8.270 0.033 0.000 0.417 295 L N -5.901 115.316 121.223 -0.010 0.000 2.627 295 L HA -0.085 nan 4.340 nan 0.000 0.232 295 L C 0.127 176.969 176.870 -0.046 0.000 1.150 295 L CA -0.139 54.680 54.840 -0.034 0.000 0.917 295 L CB -0.444 41.589 42.059 -0.044 0.000 1.104 295 L HN -0.743 7.472 8.230 -0.001 0.014 0.445 296 G N -1.321 107.455 108.800 -0.039 0.000 2.248 296 G HA2 -0.267 nan 3.960 nan 0.000 0.252 296 G HA3 -0.267 nan 3.960 nan 0.000 0.252 296 G C -0.457 174.406 174.900 -0.061 0.000 1.085 296 G CA 0.069 45.140 45.100 -0.049 0.000 0.845 296 G HN 0.002 8.064 8.290 -0.028 0.212 0.494 297 G N -1.659 107.107 108.800 -0.056 0.000 2.660 297 G HA2 0.093 nan 3.960 nan 0.000 0.294 297 G HA3 0.093 nan 3.960 nan 0.000 0.294 297 G C -1.719 173.149 174.900 -0.053 0.000 1.369 297 G CA -1.056 44.004 45.100 -0.068 0.000 0.912 297 G HN -0.679 7.585 8.290 -0.042 0.000 0.479 298 R N -1.020 119.441 120.500 -0.066 0.000 2.538 298 R HA -0.181 nan 4.340 nan 0.000 0.282 298 R C 0.171 176.493 176.300 0.037 0.000 1.009 298 R CA -0.249 55.835 56.100 -0.027 0.000 1.063 298 R CB 0.067 30.332 30.300 -0.057 0.000 0.945 298 R HN 0.100 8.311 8.270 -0.098 0.000 0.414 299 A N 5.092 127.936 122.820 0.040 0.000 2.567 299 A HA -0.113 nan 4.320 nan 0.000 0.240 299 A C -1.439 176.183 177.584 0.064 0.000 1.053 299 A CA 0.904 52.967 52.037 0.045 0.000 0.755 299 A CB 0.803 19.826 19.000 0.039 0.000 0.978 299 A HN 0.485 8.653 8.150 0.029 0.000 0.507 300 T N 5.022 119.606 114.554 0.050 0.000 3.041 300 T HA 0.362 nan 4.350 nan 0.000 0.321 300 T C -3.137 171.595 174.700 0.053 0.000 1.184 300 T CA -1.782 60.352 62.100 0.057 0.000 1.050 300 T CB 2.833 71.736 68.868 0.058 0.000 1.159 300 T HN 0.220 8.484 8.240 0.040 0.000 0.469 301 P HA 0.196 nan 4.420 nan 0.000 0.269 301 P C -2.355 174.928 177.300 -0.030 0.000 1.209 301 P CA -0.398 62.699 63.100 -0.004 0.000 0.776 301 P CB 0.561 32.264 31.700 0.005 0.000 0.876 302 A N 0.083 122.768 122.820 -0.224 0.000 2.566 302 A HA 0.784 nan 4.320 nan 0.000 0.297 302 A C -2.508 174.660 177.584 -0.692 0.000 1.059 302 A CA 0.001 51.740 52.037 -0.496 0.000 0.691 302 A CB 3.164 21.787 19.000 -0.629 0.000 1.282 302 A HN -0.214 8.027 8.150 -0.233 -0.231 0.401 303 V N -2.317 117.367 119.914 -0.384 0.000 3.078 303 V HA 0.857 nan 4.120 nan 0.000 0.311 303 V C -1.521 174.708 176.094 0.226 0.000 1.138 303 V CA -2.623 59.694 62.300 0.029 0.000 1.007 303 V CB 3.726 35.633 31.823 0.141 0.000 1.045 303 V HN 0.283 8.250 8.190 -0.371 0.000 0.432 304 G N -0.386 108.700 108.800 0.475 0.000 2.430 304 G HA2 0.860 nan 3.960 nan 0.000 0.300 304 G HA3 0.860 nan 3.960 nan 0.000 0.300 304 G C -3.539 171.657 174.900 0.494 0.000 1.330 304 G CA 0.857 46.184 45.100 0.379 0.000 0.813 304 G HN 0.022 8.647 8.290 0.558 0.000 0.487 305 F N -5.531 114.585 119.950 0.278 0.000 2.807 305 F HA 0.977 nan 4.527 nan 0.000 0.316 305 F C -3.314 172.626 175.800 0.234 0.000 1.162 305 F CA -1.630 56.511 58.000 0.236 0.000 0.910 305 F CB 2.587 41.784 39.000 0.329 0.000 1.314 305 F HN 0.543 8.723 8.300 -0.199 0.000 0.454 306 A N -2.500 120.569 122.820 0.416 0.000 2.549 306 A HA 0.857 nan 4.320 nan 0.000 0.297 306 A C -3.061 174.808 177.584 0.475 0.000 1.061 306 A CA -0.583 51.649 52.037 0.325 0.000 0.690 306 A CB 3.553 22.733 19.000 0.300 0.000 1.287 306 A HN 0.626 9.091 8.150 0.525 0.000 0.402 307 M N 1.446 121.308 119.600 0.437 0.000 2.464 307 M HA 0.656 nan 4.480 nan 0.000 0.308 307 M C -1.214 175.263 176.300 0.296 0.000 1.127 307 M CA -1.722 53.812 55.300 0.391 0.000 0.913 307 M CB 4.552 37.425 32.600 0.455 0.000 1.689 307 M HN 0.763 9.169 8.290 0.372 0.108 0.445 308 G N 3.357 112.296 108.800 0.232 0.000 2.530 308 G HA2 0.216 nan 3.960 nan 0.000 0.313 308 G HA3 0.216 nan 3.960 nan 0.000 0.313 308 G C -0.489 174.511 174.900 0.167 0.000 0.971 308 G CA -0.526 44.705 45.100 0.218 0.000 1.237 308 G HN 0.322 8.737 8.290 0.208 0.000 0.446 309 L N 5.903 127.235 121.223 0.182 0.000 2.137 309 L HA -0.477 nan 4.340 nan 0.000 0.213 309 L C 1.737 178.510 176.870 -0.162 0.000 1.085 309 L CA 2.949 57.774 54.840 -0.025 0.000 0.760 309 L CB -0.356 41.730 42.059 0.045 0.000 0.893 309 L HN -0.298 8.099 8.230 0.277 0.000 0.434 310 E N -1.488 118.814 120.200 0.171 0.000 2.077 310 E HA -0.380 nan 4.350 nan 0.000 0.193 310 E C 2.601 179.254 176.600 0.089 0.000 0.989 310 E CA 3.444 59.988 56.400 0.240 0.000 0.800 310 E CB -0.685 29.372 29.700 0.595 0.000 0.746 310 E HN 0.119 8.667 8.360 0.350 0.023 0.452 311 R N -0.466 120.081 120.500 0.078 0.000 2.070 311 R HA -0.257 nan 4.340 nan 0.000 0.233 311 R C 2.413 178.669 176.300 -0.074 0.000 1.137 311 R CA 2.657 58.764 56.100 0.011 0.000 0.945 311 R CB -0.702 29.604 30.300 0.010 0.000 0.845 311 R HN -0.514 7.829 8.270 0.122 0.000 0.430 312 L N -0.677 120.481 121.223 -0.109 0.000 1.971 312 L HA -0.365 nan 4.340 nan 0.000 0.215 312 L C 1.703 178.407 176.870 -0.278 0.000 1.072 312 L CA 3.455 58.191 54.840 -0.173 0.000 0.758 312 L CB -0.566 41.389 42.059 -0.173 0.000 0.889 312 L HN -0.477 7.713 8.230 -0.067 0.000 0.433 313 V N -1.205 118.462 119.914 -0.412 0.000 2.324 313 V HA -0.554 nan 4.120 nan 0.000 0.250 313 V C 2.058 177.984 176.094 -0.281 0.000 1.060 313 V CA 4.633 66.637 62.300 -0.493 0.000 1.042 313 V CB -0.942 30.401 31.823 -0.799 0.000 0.650 313 V HN -0.162 7.749 8.190 -0.466 0.000 0.450 314 L N -2.281 118.843 121.223 -0.164 0.000 2.017 314 L HA -0.406 nan 4.340 nan 0.000 0.208 314 L C 2.251 179.047 176.870 -0.123 0.000 1.073 314 L CA 3.010 57.799 54.840 -0.085 0.000 0.745 314 L CB -0.669 41.382 42.059 -0.014 0.000 0.894 314 L HN -0.461 7.608 8.230 -0.146 0.073 0.432 315 L N -0.921 120.214 121.223 -0.146 0.000 2.013 315 L HA -0.407 nan 4.340 nan 0.000 0.212 315 L C 1.896 178.637 176.870 -0.215 0.000 1.073 315 L CA 3.402 58.140 54.840 -0.169 0.000 0.753 315 L CB -0.657 41.297 42.059 -0.176 0.000 0.890 315 L HN 0.162 8.125 8.230 -0.142 0.182 0.432 316 V N -0.726 119.035 119.914 -0.256 0.000 2.223 316 V HA -0.601 nan 4.120 nan 0.000 0.244 316 V C 2.154 178.099 176.094 -0.247 0.000 1.045 316 V CA 4.889 67.000 62.300 -0.315 0.000 1.000 316 V CB -0.706 30.812 31.823 -0.508 0.000 0.635 316 V HN 0.413 8.444 8.190 -0.265 0.000 0.445 317 Q N -1.399 118.275 119.800 -0.210 0.000 2.308 317 Q HA -0.435 nan 4.340 nan 0.000 0.209 317 Q C 1.998 177.947 176.000 -0.084 0.000 0.985 317 Q CA 2.888 58.624 55.803 -0.111 0.000 0.881 317 Q CB -0.334 28.362 28.738 -0.070 0.000 0.917 317 Q HN -0.026 8.099 8.270 -0.241 0.000 0.443 318 A N -1.586 121.166 122.820 -0.113 0.000 1.850 318 A HA -0.086 nan 4.320 nan 0.000 0.212 318 A C 1.473 178.976 177.584 -0.135 0.000 1.208 318 A CA 2.119 54.095 52.037 -0.102 0.000 0.609 318 A CB 0.309 19.245 19.000 -0.105 0.000 0.860 318 A HN -0.350 7.562 8.150 -0.142 0.153 0.448 319 V N -1.570 118.207 119.914 -0.228 0.000 2.261 319 V HA -0.214 nan 4.120 nan 0.000 0.246 319 V C 1.017 177.004 176.094 -0.179 0.000 1.047 319 V CA 2.889 64.987 62.300 -0.337 0.000 1.015 319 V CB 0.377 31.848 31.823 -0.587 0.000 0.642 319 V HN -0.026 8.019 8.190 -0.241 0.000 0.446 320 N N -0.674 117.949 118.700 -0.129 0.000 2.898 320 N HA 0.400 nan 4.740 nan 0.000 0.245 320 N C -1.963 173.557 175.510 0.017 0.000 1.185 320 N CA -3.038 49.992 53.050 -0.034 0.000 0.879 320 N CB 0.696 39.178 38.487 -0.009 0.000 1.157 320 N HN -0.168 8.114 8.380 -0.163 0.000 0.503 321 P HA -0.024 nan 4.420 nan 0.000 0.242 321 P C -0.567 176.777 177.300 0.073 0.000 1.197 321 P CA 0.841 63.966 63.100 0.041 0.000 0.765 321 P CB 0.313 32.026 31.700 0.021 0.000 0.936 322 E N -1.541 118.708 120.200 0.083 0.000 2.311 322 E HA 0.041 nan 4.350 nan 0.000 0.198 322 E C -1.456 175.210 176.600 0.110 0.000 1.115 322 E CA -1.189 55.255 56.400 0.073 0.000 1.140 322 E CB -0.499 29.231 29.700 0.049 0.000 1.204 322 E HN -0.564 7.935 8.360 0.076 -0.094 0.446 323 F N 0.441 120.380 119.950 -0.018 0.000 2.434 323 F HA 0.232 nan 4.527 nan 0.000 0.367 323 F C -1.188 174.603 175.800 -0.015 0.000 1.093 323 F CA -0.934 57.053 58.000 -0.022 0.000 1.085 323 F CB 1.087 40.066 39.000 -0.037 0.000 1.322 323 F HN -0.709 7.595 8.300 0.222 0.129 0.452 324 K N 6.939 127.309 120.400 -0.050 0.000 2.303 324 K HA 0.328 nan 4.320 nan 0.000 0.233 324 K C -1.841 174.710 176.600 -0.082 0.000 1.046 324 K CA -2.696 53.592 56.287 0.001 0.000 0.895 324 K CB 2.004 34.498 32.500 -0.011 0.000 1.220 324 K HN 0.160 8.296 8.250 -0.190 0.000 0.470 325 A N -0.784 122.032 122.820 -0.007 0.000 2.374 325 A HA 0.214 nan 4.320 nan 0.000 0.317 325 A C -1.288 176.292 177.584 -0.007 0.000 1.094 325 A CA -1.134 50.895 52.037 -0.013 0.000 0.765 325 A CB 0.925 19.958 19.000 0.055 0.000 1.268 325 A HN 0.001 8.168 8.150 0.029 0.000 0.438 326 D N 3.199 123.589 120.400 -0.018 0.000 2.419 326 D HA 0.060 nan 4.640 nan 0.000 0.236 326 D C -0.509 175.807 176.300 0.026 0.000 1.165 326 D CA -1.260 52.738 54.000 -0.003 0.000 0.882 326 D CB -0.365 40.429 40.800 -0.009 0.000 1.201 326 D HN 0.027 8.377 8.370 -0.033 0.000 0.443 327 P HA 0.108 nan 4.420 nan 0.000 0.274 327 P C 0.100 177.440 177.300 0.067 0.000 1.260 327 P CA -0.636 62.504 63.100 0.067 0.000 0.793 327 P CB 1.044 32.789 31.700 0.075 0.000 1.048 328 V N -7.291 112.681 119.914 0.096 0.000 2.535 328 V HA 0.113 nan 4.120 nan 0.000 0.246 328 V C 0.241 176.354 176.094 0.033 0.000 1.045 328 V CA 1.008 63.344 62.300 0.061 0.000 1.058 328 V CB 0.121 31.984 31.823 0.068 0.000 0.689 328 V HN 0.331 8.602 8.190 0.136 0.000 0.461 329 V N -1.399 118.566 119.914 0.084 0.000 2.555 329 V HA 0.178 nan 4.120 nan 0.000 0.302 329 V C -0.841 175.310 176.094 0.095 0.000 1.038 329 V CA -0.805 61.541 62.300 0.077 0.000 0.887 329 V CB 1.246 33.149 31.823 0.133 0.000 0.991 329 V HN -0.807 7.469 8.190 0.144 0.000 0.434 330 D N 4.343 124.785 120.400 0.069 0.000 2.652 330 D HA 0.263 nan 4.640 nan 0.000 0.261 330 D C -0.023 176.329 176.300 0.087 0.000 1.024 330 D CA 1.885 55.924 54.000 0.066 0.000 0.958 330 D CB 2.630 43.454 40.800 0.040 0.000 1.113 330 D HN 0.677 8.959 8.370 0.048 0.116 0.471 331 I N -1.498 119.119 120.570 0.078 0.000 2.404 331 I HA 0.268 nan 4.170 nan 0.000 0.293 331 I C -2.282 173.911 176.117 0.126 0.000 0.992 331 I CA -0.490 60.865 61.300 0.091 0.000 1.149 331 I CB 2.633 40.658 38.000 0.042 0.000 1.315 331 I HN -0.249 7.993 8.210 0.053 0.000 0.446 332 Y N 7.673 127.989 120.300 0.027 0.000 2.335 332 Y HA 0.397 nan 4.550 nan 0.000 0.338 332 Y C -2.249 173.641 175.900 -0.015 0.000 0.977 332 Y CA -2.059 56.051 58.100 0.016 0.000 1.114 332 Y CB 2.771 41.277 38.460 0.076 0.000 1.182 332 Y HN -0.001 8.426 8.280 0.245 0.000 0.463 333 L N 8.675 129.645 121.223 -0.421 0.000 2.302 333 L HA 0.350 nan 4.340 nan 0.000 0.285 333 L C -1.620 175.046 176.870 -0.340 0.000 1.090 333 L CA -0.913 53.749 54.840 -0.297 0.000 0.866 333 L CB 0.630 42.529 42.059 -0.266 0.000 1.244 333 L HN 0.650 8.369 8.230 -0.661 0.114 0.435 334 V N 7.828 127.658 119.914 -0.141 0.000 2.732 334 V HA 0.322 nan 4.120 nan 0.000 0.297 334 V C -1.484 174.589 176.094 -0.035 0.000 1.060 334 V CA -0.229 62.020 62.300 -0.085 0.000 1.038 334 V CB 0.663 32.361 31.823 -0.208 0.000 1.003 334 V HN -0.110 8.036 8.190 -0.072 0.000 0.481 335 A N 6.200 129.048 122.820 0.047 0.000 2.565 335 A HA 0.390 nan 4.320 nan 0.000 0.298 335 A C -2.385 175.249 177.584 0.083 0.000 1.062 335 A CA 0.132 52.222 52.037 0.089 0.000 0.723 335 A CB 2.768 21.767 19.000 -0.002 0.000 1.282 335 A HN 0.307 8.793 8.150 0.052 -0.304 0.400 336 S N 1.965 117.706 115.700 0.069 0.000 2.537 336 S HA 0.293 nan 4.470 nan 0.000 0.270 336 S C -1.896 172.652 174.600 -0.086 0.000 1.142 336 S CA -0.537 57.622 58.200 -0.069 0.000 0.870 336 S CB 1.067 64.116 63.200 -0.251 0.000 1.112 336 S HN 0.377 8.767 8.310 0.133 0.000 0.466 337 G N 0.785 109.537 108.800 -0.079 0.000 2.357 337 G HA2 -0.166 nan 3.960 nan 0.000 0.643 337 G HA3 -0.166 nan 3.960 nan 0.000 0.643 337 G C -2.417 172.464 174.900 -0.031 0.000 1.358 337 G CA -0.557 44.507 45.100 -0.060 0.000 0.986 337 G HN -0.279 7.968 8.290 -0.072 0.000 0.620 338 A N -0.409 122.395 122.820 -0.025 0.000 2.505 338 A HA -0.137 nan 4.320 nan 0.000 0.271 338 A C 0.268 177.847 177.584 -0.008 0.000 1.112 338 A CA 1.221 53.249 52.037 -0.015 0.000 0.781 338 A CB -0.776 18.216 19.000 -0.013 0.000 1.059 338 A HN 0.054 8.366 8.150 -0.029 -0.180 0.508 339 D N 1.755 122.152 120.400 -0.005 0.000 2.945 339 D HA -0.256 nan 4.640 nan 0.000 0.225 339 D C 0.649 176.950 176.300 0.001 0.000 1.158 339 D CA 0.809 54.808 54.000 -0.001 0.000 0.805 339 D CB -0.368 40.431 40.800 -0.001 0.000 1.098 339 D HN 0.364 8.730 8.370 -0.006 0.000 0.426 340 T N -5.217 109.338 114.554 0.001 0.000 3.014 340 T HA -0.178 nan 4.350 nan 0.000 0.263 340 T C 1.574 176.276 174.700 0.003 0.000 1.078 340 T CA 2.004 64.106 62.100 0.004 0.000 1.135 340 T CB 0.230 69.103 68.868 0.008 0.000 0.895 340 T HN -0.537 7.674 8.240 -0.002 0.028 0.480 341 Q N 2.296 122.100 119.800 0.006 0.000 2.045 341 Q HA -0.418 nan 4.340 nan 0.000 0.206 341 Q C 1.978 177.985 176.000 0.012 0.000 0.991 341 Q CA 3.356 59.167 55.803 0.013 0.000 0.851 341 Q CB -0.855 27.904 28.738 0.036 0.000 0.911 341 Q HN 0.405 8.679 8.270 0.007 0.000 0.418 342 S N -0.718 114.988 115.700 0.011 0.000 2.383 342 S HA -0.324 nan 4.470 nan 0.000 0.229 342 S C 1.676 176.277 174.600 0.001 0.000 1.030 342 S CA 2.743 60.948 58.200 0.008 0.000 1.002 342 S CB -0.540 62.663 63.200 0.005 0.000 0.829 342 S HN 0.392 8.708 8.310 0.010 0.000 0.467 343 A N 2.316 125.135 122.820 -0.001 0.000 1.858 343 A HA -0.205 nan 4.320 nan 0.000 0.216 343 A C 1.817 179.394 177.584 -0.012 0.000 1.190 343 A CA 2.404 54.438 52.037 -0.004 0.000 0.617 343 A CB -1.005 17.995 19.000 -0.001 0.000 0.827 343 A HN -0.713 7.353 8.150 0.001 0.084 0.443 344 A N -1.085 121.725 122.820 -0.018 0.000 1.873 344 A HA -0.414 nan 4.320 nan 0.000 0.218 344 A C 2.143 179.698 177.584 -0.047 0.000 1.193 344 A CA 3.170 55.183 52.037 -0.040 0.000 0.629 344 A CB -0.816 18.150 19.000 -0.057 0.000 0.826 344 A HN 0.489 8.519 8.150 -0.012 0.113 0.447 345 M N -2.097 117.485 119.600 -0.029 0.000 2.159 345 M HA -0.425 nan 4.480 nan 0.000 0.263 345 M C 2.090 178.380 176.300 -0.017 0.000 1.063 345 M CA 3.659 58.948 55.300 -0.018 0.000 1.110 345 M CB 0.086 32.699 32.600 0.021 0.000 1.374 345 M HN 0.397 8.569 8.290 -0.016 0.108 0.411 346 A N -0.105 122.708 122.820 -0.012 0.000 1.902 346 A HA -0.254 nan 4.320 nan 0.000 0.217 346 A C 1.912 179.486 177.584 -0.016 0.000 1.181 346 A CA 3.063 55.093 52.037 -0.011 0.000 0.623 346 A CB -0.817 18.178 19.000 -0.007 0.000 0.818 346 A HN 0.012 8.068 8.150 -0.010 0.088 0.443 347 L N -1.218 119.992 121.223 -0.021 0.000 2.093 347 L HA -0.287 nan 4.340 nan 0.000 0.208 347 L C 1.575 178.427 176.870 -0.029 0.000 1.085 347 L CA 2.351 57.178 54.840 -0.023 0.000 0.755 347 L CB -0.767 41.276 42.059 -0.025 0.000 0.904 347 L HN 0.184 8.323 8.230 -0.022 0.078 0.435 348 A N -0.697 122.098 122.820 -0.042 0.000 1.908 348 A HA -0.356 nan 4.320 nan 0.000 0.218 348 A C 2.253 179.816 177.584 -0.035 0.000 1.181 348 A CA 3.455 55.461 52.037 -0.052 0.000 0.627 348 A CB -0.972 17.983 19.000 -0.074 0.000 0.818 348 A HN 0.435 8.367 8.150 -0.044 0.192 0.445 349 E N -2.496 117.689 120.200 -0.026 0.000 2.106 349 E HA -0.309 nan 4.350 nan 0.000 0.192 349 E C 2.446 179.038 176.600 -0.014 0.000 0.984 349 E CA 2.729 59.119 56.400 -0.018 0.000 0.806 349 E CB -0.400 29.293 29.700 -0.012 0.000 0.750 349 E HN -0.307 8.038 8.360 -0.025 0.000 0.458 350 R N 0.226 120.718 120.500 -0.013 0.000 2.070 350 R HA -0.267 nan 4.340 nan 0.000 0.233 350 R C 2.398 178.693 176.300 -0.008 0.000 1.137 350 R CA 3.257 59.352 56.100 -0.009 0.000 0.945 350 R CB -0.086 30.209 30.300 -0.008 0.000 0.845 350 R HN -0.463 7.715 8.270 -0.015 0.084 0.430 351 L N -2.496 118.720 121.223 -0.011 0.000 2.187 351 L HA -0.369 nan 4.340 nan 0.000 0.213 351 L C 2.507 179.372 176.870 -0.009 0.000 1.100 351 L CA 2.892 57.727 54.840 -0.008 0.000 0.765 351 L CB -0.637 41.414 42.059 -0.013 0.000 0.904 351 L HN 0.059 8.280 8.230 -0.015 0.000 0.437 352 R N -1.515 118.976 120.500 -0.014 0.000 2.092 352 R HA -0.304 nan 4.340 nan 0.000 0.231 352 R C 1.677 177.973 176.300 -0.008 0.000 1.119 352 R CA 3.188 59.281 56.100 -0.013 0.000 0.970 352 R CB -0.354 29.936 30.300 -0.017 0.000 0.864 352 R HN -0.413 7.723 8.270 -0.017 0.124 0.440 353 D N -1.805 118.591 120.400 -0.006 0.000 2.097 353 D HA -0.074 nan 4.640 nan 0.000 0.197 353 D C 1.461 177.760 176.300 -0.001 0.000 0.984 353 D CA 2.326 56.324 54.000 -0.003 0.000 0.826 353 D CB 0.185 40.983 40.800 -0.002 0.000 0.973 353 D HN -0.461 7.814 8.370 -0.007 0.091 0.460 354 E N -2.075 118.125 120.200 -0.000 0.000 2.216 354 E HA -0.077 nan 4.350 nan 0.000 0.192 354 E C 0.499 177.101 176.600 0.003 0.000 0.988 354 E CA 1.757 58.159 56.400 0.003 0.000 0.834 354 E CB 1.057 30.760 29.700 0.006 0.000 0.772 354 E HN -0.314 8.045 8.360 -0.001 0.000 0.479 355 L N -1.121 120.103 121.223 0.002 0.000 2.825 355 L HA 0.431 nan 4.340 nan 0.000 0.236 355 L C -2.692 174.178 176.870 -0.000 0.000 1.301 355 L CA -3.077 51.764 54.840 0.002 0.000 0.977 355 L CB 0.006 42.068 42.059 0.004 0.000 1.300 355 L HN -0.177 7.951 8.230 -0.000 0.102 0.486 356 P HA -0.084 nan 4.420 nan 0.000 0.268 356 P C 0.568 177.867 177.300 -0.001 0.000 1.204 356 P CA 1.064 64.163 63.100 -0.001 0.000 0.768 356 P CB 0.068 31.768 31.700 0.000 0.000 0.842 357 G N 1.263 110.062 108.800 -0.002 0.000 2.194 357 G HA2 -0.381 nan 3.960 nan 0.000 0.236 357 G HA3 -0.381 nan 3.960 nan 0.000 0.236 357 G C -1.074 173.826 174.900 -0.001 0.000 0.987 357 G CA -0.240 44.859 45.100 -0.001 0.000 0.635 357 G HN 0.402 8.690 8.290 -0.003 0.000 0.520 358 V N 1.873 121.786 119.914 -0.002 0.000 2.539 358 V HA 0.030 nan 4.120 nan 0.000 0.292 358 V C -0.470 175.620 176.094 -0.006 0.000 1.045 358 V CA -0.690 61.610 62.300 -0.000 0.000 0.945 358 V CB 0.831 32.655 31.823 0.003 0.000 0.993 358 V HN -0.514 7.608 8.190 -0.003 0.066 0.464 359 K N 6.792 127.190 120.400 -0.003 0.000 2.257 359 K HA 0.251 nan 4.320 nan 0.000 0.270 359 K C -1.710 174.881 176.600 -0.015 0.000 1.098 359 K CA -1.157 55.123 56.287 -0.013 0.000 0.943 359 K CB 0.160 32.656 32.500 -0.007 0.000 1.316 359 K HN 0.217 8.818 8.250 0.006 -0.347 0.447 360 L N 4.783 125.985 121.223 -0.036 0.000 2.313 360 L HA 0.683 nan 4.340 nan 0.000 0.283 360 L C -2.124 174.685 176.870 -0.102 0.000 1.013 360 L CA -1.478 53.332 54.840 -0.050 0.000 0.816 360 L CB 2.553 44.583 42.059 -0.050 0.000 1.236 360 L HN 0.278 8.484 8.230 -0.041 0.000 0.419 361 M N 7.524 127.040 119.600 -0.140 0.000 2.181 361 M HA 0.429 nan 4.480 nan 0.000 0.323 361 M C -1.881 174.129 176.300 -0.484 0.000 1.004 361 M CA -0.915 54.237 55.300 -0.247 0.000 0.941 361 M CB 3.437 35.909 32.600 -0.212 0.000 1.579 361 M HN 0.715 8.954 8.290 -0.085 0.000 0.427 362 T N 8.602 122.896 114.554 -0.434 0.000 2.794 362 T HA 0.141 nan 4.350 nan 0.000 0.296 362 T C -0.589 173.647 174.700 -0.773 0.000 0.949 362 T CA 0.073 61.826 62.100 -0.578 0.000 1.101 362 T CB 0.082 68.679 68.868 -0.451 0.000 0.905 362 T HN 0.319 8.381 8.240 -0.297 0.000 0.516 363 N N 6.672 124.902 118.700 -0.785 0.000 2.479 363 N HA -0.110 nan 4.740 nan 0.000 0.257 363 N C -1.406 173.833 175.510 -0.451 0.000 1.232 363 N CA 0.751 53.535 53.050 -0.444 0.000 0.920 363 N CB 1.086 39.475 38.487 -0.163 0.000 1.105 363 N HN 0.028 7.944 8.380 -0.773 0.000 0.444 364 H N 2.915 122.002 119.070 0.028 0.000 2.928 364 H HA 0.159 nan 4.556 nan 0.000 0.371 364 H C 0.393 175.748 175.328 0.045 0.000 1.186 364 H CA -0.085 55.975 56.048 0.020 0.000 1.134 364 H CB 3.497 33.265 29.762 0.010 0.000 1.824 364 H HN 0.417 8.771 8.280 0.122 0.000 0.554 365 G N 1.172 110.079 108.800 0.179 0.000 2.171 365 G HA2 -0.370 nan 3.960 nan 0.000 0.238 365 G HA3 -0.370 nan 3.960 nan 0.000 0.238 365 G C 0.194 175.138 174.900 0.074 0.000 1.039 365 G CA -0.350 44.812 45.100 0.103 0.000 0.759 365 G HN 0.485 8.895 8.290 0.200 0.000 0.501 366 G N -0.214 108.624 108.800 0.063 0.000 2.627 366 G HA2 -0.421 nan 3.960 nan 0.000 0.312 366 G HA3 -0.421 nan 3.960 nan 0.000 0.312 366 G C -1.112 173.811 174.900 0.038 0.000 1.299 366 G CA 0.822 45.942 45.100 0.033 0.000 0.989 366 G HN -0.098 8.237 8.290 0.076 0.000 0.547 367 G N -2.518 106.292 108.800 0.016 0.000 2.617 367 G HA2 -0.261 nan 3.960 nan 0.000 0.686 367 G HA3 -0.261 nan 3.960 nan 0.000 0.686 367 G C -2.426 172.475 174.900 0.000 0.000 1.214 367 G CA -0.964 44.149 45.100 0.022 0.000 0.796 367 G HN -0.102 8.187 8.290 -0.000 0.000 0.654 368 N N -2.279 116.424 118.700 0.005 0.000 2.445 368 N HA 0.115 nan 4.740 nan 0.000 0.264 368 N C 1.242 176.810 175.510 0.096 0.000 1.227 368 N CA -1.082 51.960 53.050 -0.013 0.000 0.963 368 N CB 0.752 39.239 38.487 -0.000 0.000 1.188 368 N HN -0.040 8.351 8.380 0.019 0.000 0.491 369 F N 0.445 120.390 119.950 -0.007 0.000 2.147 369 F HA -0.420 nan 4.527 nan 0.000 0.301 369 F C 2.119 177.959 175.800 0.067 0.000 1.084 369 F CA 2.836 60.805 58.000 -0.052 0.000 1.268 369 F CB -0.267 38.799 39.000 0.110 0.000 1.009 369 F HN 0.292 8.565 8.300 -0.045 0.000 0.486 370 K N -0.962 119.650 120.400 0.353 0.000 2.057 370 K HA -0.335 nan 4.320 nan 0.000 0.206 370 K C 2.304 179.020 176.600 0.194 0.000 1.050 370 K CA 3.355 59.823 56.287 0.303 0.000 0.935 370 K CB -0.337 32.279 32.500 0.193 0.000 0.715 370 K HN -0.005 8.456 8.250 0.296 -0.033 0.439 371 K N -0.444 120.029 120.400 0.122 0.000 2.002 371 K HA -0.384 nan 4.320 nan 0.000 0.209 371 K C 2.545 179.177 176.600 0.053 0.000 1.048 371 K CA 3.418 59.748 56.287 0.072 0.000 0.930 371 K CB -0.036 32.498 32.500 0.057 0.000 0.714 371 K HN 0.151 8.788 8.250 0.122 -0.314 0.438 372 Q N -1.696 118.130 119.800 0.042 0.000 2.135 372 Q HA -0.349 nan 4.340 nan 0.000 0.204 372 Q C 2.782 178.721 176.000 -0.102 0.000 0.981 372 Q CA 3.059 58.867 55.803 0.008 0.000 0.856 372 Q CB -0.068 28.675 28.738 0.009 0.000 0.902 372 Q HN 0.052 8.359 8.270 0.062 0.000 0.425 373 F N -0.942 119.038 119.950 0.050 0.000 2.171 373 F HA -0.330 nan 4.527 nan 0.000 0.300 373 F C 1.670 177.416 175.800 -0.090 0.000 1.090 373 F CA 2.859 60.846 58.000 -0.022 0.000 1.293 373 F CB -0.739 38.257 39.000 -0.007 0.000 1.013 373 F HN 0.113 8.312 8.300 -0.018 0.090 0.486 374 A N -0.689 122.183 122.820 0.086 0.000 1.902 374 A HA -0.339 nan 4.320 nan 0.000 0.217 374 A C 2.148 179.649 177.584 -0.137 0.000 1.181 374 A CA 3.205 55.233 52.037 -0.015 0.000 0.623 374 A CB -0.875 18.120 19.000 -0.010 0.000 0.818 374 A HN -0.138 7.981 8.150 0.117 0.101 0.443 375 R N -1.069 119.318 120.500 -0.188 0.000 2.081 375 R HA -0.373 nan 4.340 nan 0.000 0.235 375 R C 2.126 178.120 176.300 -0.509 0.000 1.131 375 R CA 3.300 59.205 56.100 -0.324 0.000 0.960 375 R CB -0.363 29.823 30.300 -0.191 0.000 0.856 375 R HN -0.260 7.859 8.270 -0.116 0.081 0.436 376 A N -0.882 121.558 122.820 -0.633 0.000 1.908 376 A HA -0.313 nan 4.320 nan 0.000 0.218 376 A C 1.966 179.462 177.584 -0.147 0.000 1.181 376 A CA 3.235 54.966 52.037 -0.508 0.000 0.627 376 A CB -1.000 17.873 19.000 -0.212 0.000 0.818 376 A HN -0.134 7.627 8.150 -0.519 0.078 0.445 377 D N -2.132 118.194 120.400 -0.122 0.000 2.144 377 D HA -0.201 nan 4.640 nan 0.000 0.200 377 D C 2.988 179.206 176.300 -0.137 0.000 0.978 377 D CA 2.963 56.916 54.000 -0.079 0.000 0.833 377 D CB -0.295 40.469 40.800 -0.060 0.000 0.961 377 D HN -0.455 7.755 8.370 -0.123 0.087 0.470 378 K N 0.506 120.740 120.400 -0.276 0.000 2.032 378 K HA -0.260 nan 4.320 nan 0.000 0.209 378 K C 1.707 178.039 176.600 -0.447 0.000 1.048 378 K CA 2.765 58.789 56.287 -0.439 0.000 0.927 378 K CB 0.077 32.168 32.500 -0.683 0.000 0.712 378 K HN -0.292 7.701 8.250 -0.291 0.083 0.441 379 W N -4.246 117.015 121.300 -0.064 0.000 2.678 379 W HA -0.078 nan 4.660 nan 0.000 0.256 379 W C -0.438 176.081 176.519 -0.001 0.000 1.280 379 W CA 0.380 57.715 57.345 -0.016 0.000 1.345 379 W CB 0.474 29.941 29.460 0.011 0.000 1.118 379 W HN -0.524 7.422 8.180 -0.390 0.000 0.629 380 G N -4.525 104.368 108.800 0.155 0.000 2.165 380 G HA2 -0.470 nan 3.960 nan 0.000 0.226 380 G HA3 -0.470 nan 3.960 nan 0.000 0.226 380 G C -0.880 174.094 174.900 0.122 0.000 1.035 380 G CA -0.472 44.693 45.100 0.108 0.000 0.744 380 G HN -0.771 7.395 8.290 0.071 0.166 0.501 381 A N -1.754 121.152 122.820 0.144 0.000 2.450 381 A HA 0.012 nan 4.320 nan 0.000 0.255 381 A C -0.232 177.411 177.584 0.099 0.000 1.096 381 A CA -0.158 51.966 52.037 0.144 0.000 0.778 381 A CB 0.674 19.795 19.000 0.202 0.000 1.031 381 A HN -0.329 7.908 8.150 0.145 0.000 0.494 382 R N 3.196 123.746 120.500 0.083 0.000 2.080 382 R HA 0.054 nan 4.340 nan 0.000 0.222 382 R C -0.472 175.866 176.300 0.063 0.000 1.107 382 R CA 1.513 57.648 56.100 0.059 0.000 0.980 382 R CB 0.742 31.069 30.300 0.045 0.000 0.879 382 R HN 0.239 8.561 8.270 0.087 0.000 0.439 383 V N -4.501 115.460 119.914 0.080 0.000 2.919 383 V HA 0.672 nan 4.120 nan 0.000 0.316 383 V C -2.004 174.163 176.094 0.123 0.000 1.077 383 V CA -1.949 60.401 62.300 0.083 0.000 0.977 383 V CB 3.371 35.234 31.823 0.066 0.000 1.039 383 V HN -0.675 7.567 8.190 0.086 0.000 0.441 384 A N 3.302 126.202 122.820 0.132 0.000 2.381 384 A HA 0.750 nan 4.320 nan 0.000 0.299 384 A C -2.424 175.225 177.584 0.107 0.000 1.049 384 A CA -1.370 50.771 52.037 0.174 0.000 0.715 384 A CB 3.132 22.307 19.000 0.293 0.000 1.222 384 A HN 0.675 8.890 8.150 0.108 0.000 0.428 385 V N 4.826 124.775 119.914 0.058 0.000 2.318 385 V HA 0.454 nan 4.120 nan 0.000 0.271 385 V C -0.755 175.331 176.094 -0.013 0.000 1.030 385 V CA -0.347 61.961 62.300 0.013 0.000 0.844 385 V CB 0.035 31.853 31.823 -0.009 0.000 1.015 385 V HN -0.006 8.218 8.190 0.057 0.000 0.460 386 V N 8.825 128.726 119.914 -0.021 0.000 2.644 386 V HA 0.347 nan 4.120 nan 0.000 0.295 386 V C -1.137 174.942 176.094 -0.025 0.000 1.053 386 V CA -0.436 61.817 62.300 -0.078 0.000 0.987 386 V CB 1.496 33.221 31.823 -0.165 0.000 1.006 386 V HN 0.799 8.986 8.190 -0.005 0.000 0.472 387 L N 5.043 126.286 121.223 0.033 0.000 2.595 387 L HA 0.297 nan 4.340 nan 0.000 0.259 387 L C -0.900 176.058 176.870 0.148 0.000 1.033 387 L CA -0.087 54.795 54.840 0.070 0.000 0.901 387 L CB 2.483 44.557 42.059 0.024 0.000 1.151 387 L HN 0.161 8.426 8.230 0.059 0.000 0.453 388 G N 1.862 110.780 108.800 0.197 0.000 2.531 388 G HA2 0.309 nan 3.960 nan 0.000 0.281 388 G HA3 0.309 nan 3.960 nan 0.000 0.281 388 G C -0.331 174.619 174.900 0.085 0.000 1.382 388 G CA -1.265 43.947 45.100 0.187 0.000 1.045 388 G HN -0.708 7.834 8.290 0.174 -0.148 0.533 389 E N -0.594 119.637 120.200 0.052 0.000 2.110 389 E HA -0.424 nan 4.350 nan 0.000 0.193 389 E C 2.533 179.151 176.600 0.030 0.000 0.988 389 E CA 4.009 60.425 56.400 0.028 0.000 0.804 389 E CB -0.121 29.585 29.700 0.010 0.000 0.745 389 E HN 0.520 8.907 8.360 0.044 0.000 0.458 390 S N 0.291 116.016 115.700 0.041 0.000 2.343 390 S HA -0.292 nan 4.470 nan 0.000 0.219 390 S C 1.876 176.494 174.600 0.030 0.000 1.033 390 S CA 3.017 61.238 58.200 0.035 0.000 1.014 390 S CB -0.501 62.725 63.200 0.044 0.000 0.915 390 S HN -0.060 8.283 8.310 0.054 0.000 0.435 391 E N 1.027 121.251 120.200 0.039 0.000 2.114 391 E HA -0.270 nan 4.350 nan 0.000 0.199 391 E C 2.393 179.004 176.600 0.017 0.000 1.008 391 E CA 3.158 59.574 56.400 0.026 0.000 0.810 391 E CB -0.637 29.083 29.700 0.033 0.000 0.739 391 E HN 0.173 8.567 8.360 0.056 0.000 0.456 392 V N -1.693 118.233 119.914 0.020 0.000 2.358 392 V HA -0.263 nan 4.120 nan 0.000 0.246 392 V C 1.791 177.891 176.094 0.009 0.000 1.047 392 V CA 3.429 65.736 62.300 0.012 0.000 1.035 392 V CB -1.040 30.791 31.823 0.013 0.000 0.658 392 V HN -0.601 7.511 8.190 0.028 0.095 0.452 393 A N -0.549 122.277 122.820 0.011 0.000 1.858 393 A HA -0.223 nan 4.320 nan 0.000 0.216 393 A C 1.563 179.151 177.584 0.007 0.000 1.190 393 A CA 2.711 54.753 52.037 0.008 0.000 0.617 393 A CB 0.073 19.078 19.000 0.010 0.000 0.827 393 A HN -0.109 7.976 8.150 0.015 0.074 0.443 394 N N -2.320 116.384 118.700 0.008 0.000 2.520 394 N HA -0.065 nan 4.740 nan 0.000 0.185 394 N C 0.994 176.505 175.510 0.002 0.000 1.068 394 N CA 0.096 53.149 53.050 0.005 0.000 0.911 394 N CB 0.132 38.623 38.487 0.006 0.000 0.961 394 N HN 0.298 8.578 8.380 0.011 0.107 0.446 395 G N -1.047 107.754 108.800 0.001 0.000 2.198 395 G HA2 -0.403 nan 3.960 nan 0.000 0.257 395 G HA3 -0.403 nan 3.960 nan 0.000 0.257 395 G C -1.253 173.642 174.900 -0.008 0.000 1.042 395 G CA 0.528 45.626 45.100 -0.002 0.000 0.791 395 G HN -0.001 8.122 8.290 0.004 0.169 0.502 396 T N -3.371 111.178 114.554 -0.008 0.000 2.841 396 T HA 0.916 nan 4.350 nan 0.000 0.276 396 T C -1.716 172.972 174.700 -0.019 0.000 1.003 396 T CA -2.749 59.340 62.100 -0.019 0.000 0.995 396 T CB 3.327 72.183 68.868 -0.020 0.000 1.260 396 T HN -0.319 7.822 8.240 -0.002 0.098 0.581 397 A N -1.817 120.983 122.820 -0.033 0.000 2.513 397 A HA 0.336 nan 4.320 nan 0.000 0.296 397 A C -2.521 175.038 177.584 -0.042 0.000 1.052 397 A CA -0.135 51.885 52.037 -0.029 0.000 0.714 397 A CB 2.821 21.802 19.000 -0.033 0.000 1.279 397 A HN 0.498 8.619 8.150 -0.048 0.000 0.397 398 V N 3.831 123.728 119.914 -0.028 0.000 2.408 398 V HA 0.373 nan 4.120 nan 0.000 0.267 398 V C -0.668 175.413 176.094 -0.023 0.000 1.047 398 V CA 0.194 62.476 62.300 -0.031 0.000 0.937 398 V CB 0.451 32.259 31.823 -0.024 0.000 0.999 398 V HN 0.102 8.281 8.190 -0.018 0.000 0.472 399 V N 9.715 129.611 119.914 -0.030 0.000 2.353 399 V HA 0.255 nan 4.120 nan 0.000 0.264 399 V C -1.228 174.874 176.094 0.013 0.000 1.049 399 V CA -0.991 61.308 62.300 -0.002 0.000 0.896 399 V CB -0.646 31.175 31.823 -0.003 0.000 1.025 399 V HN 1.091 9.154 8.190 -0.052 0.095 0.475 400 K N 8.786 129.206 120.400 0.032 0.000 2.211 400 K HA 0.232 nan 4.320 nan 0.000 0.275 400 K C -2.019 174.598 176.600 0.027 0.000 1.024 400 K CA -1.215 55.083 56.287 0.019 0.000 0.887 400 K CB 2.540 35.057 32.500 0.028 0.000 1.084 400 K HN 0.815 9.097 8.250 0.052 0.000 0.463 401 D N 7.378 127.782 120.400 0.007 0.000 2.380 401 D HA 0.216 nan 4.640 nan 0.000 0.230 401 D C 0.697 176.992 176.300 -0.008 0.000 1.154 401 D CA -1.409 52.598 54.000 0.012 0.000 0.859 401 D CB 0.521 41.326 40.800 0.009 0.000 1.045 401 D HN -0.187 8.179 8.370 -0.006 0.000 0.495 402 L N 4.152 125.380 121.223 0.008 0.000 2.191 402 L HA -0.310 nan 4.340 nan 0.000 0.212 402 L C 1.056 177.913 176.870 -0.021 0.000 1.103 402 L CA 2.486 57.320 54.840 -0.011 0.000 0.769 402 L CB -0.327 41.748 42.059 0.027 0.000 0.908 402 L HN 0.502 8.752 8.230 0.033 0.000 0.438 403 R N -3.411 117.084 120.500 -0.009 0.000 2.073 403 R HA -0.149 nan 4.340 nan 0.000 0.229 403 R C 1.230 177.517 176.300 -0.021 0.000 1.120 403 R CA 2.081 58.174 56.100 -0.012 0.000 0.967 403 R CB 0.344 30.642 30.300 -0.003 0.000 0.862 403 R HN 0.026 8.452 8.270 0.002 -0.154 0.436 404 S N -3.936 111.751 115.700 -0.022 0.000 2.523 404 S HA 0.134 nan 4.470 nan 0.000 0.217 404 S C 1.251 175.827 174.600 -0.041 0.000 0.996 404 S CA -0.219 57.965 58.200 -0.026 0.000 0.921 404 S CB 1.475 64.665 63.200 -0.017 0.000 0.829 404 S HN -0.399 8.195 8.310 -0.018 -0.295 0.495 405 G N 2.520 111.285 108.800 -0.058 0.000 2.220 405 G HA2 -0.337 nan 3.960 nan 0.000 0.269 405 G HA3 -0.337 nan 3.960 nan 0.000 0.269 405 G C -0.528 174.327 174.900 -0.074 0.000 0.977 405 G CA 0.491 45.538 45.100 -0.088 0.000 0.634 405 G HN 0.243 8.501 8.290 -0.053 0.000 0.539 406 E N 2.933 123.106 120.200 -0.044 0.000 2.104 406 E HA -0.087 nan 4.350 nan 0.000 0.278 406 E C -0.493 176.093 176.600 -0.023 0.000 1.127 406 E CA -0.282 56.100 56.400 -0.030 0.000 0.897 406 E CB -0.317 29.375 29.700 -0.014 0.000 1.043 406 E HN -0.528 7.708 8.360 -0.036 0.102 0.410 407 Q N 2.258 122.039 119.800 -0.032 0.000 2.195 407 Q HA 0.591 nan 4.340 nan 0.000 0.250 407 Q C -0.808 175.184 176.000 -0.013 0.000 0.988 407 Q CA -1.305 54.484 55.803 -0.023 0.000 0.911 407 Q CB 2.164 30.879 28.738 -0.039 0.000 1.258 407 Q HN 0.091 8.337 8.270 -0.040 0.000 0.475 408 T N -2.218 112.326 114.554 -0.016 0.000 3.047 408 T HA 0.127 nan 4.350 nan 0.000 0.340 408 T C -2.359 172.310 174.700 -0.052 0.000 1.421 408 T CA -0.355 61.731 62.100 -0.023 0.000 1.090 408 T CB 1.779 70.645 68.868 -0.004 0.000 1.292 408 T HN 0.159 8.388 8.240 -0.019 0.000 0.480 409 A N 6.178 128.967 122.820 -0.051 0.000 2.310 409 A HA 0.758 nan 4.320 nan 0.000 0.300 409 A C -0.734 176.786 177.584 -0.107 0.000 1.269 409 A CA -0.525 51.475 52.037 -0.061 0.000 0.909 409 A CB 0.330 19.311 19.000 -0.032 0.000 1.144 409 A HN 0.254 8.383 8.150 -0.035 0.000 0.540 410 V N 3.392 123.210 119.914 -0.159 0.000 2.667 410 V HA 0.213 nan 4.120 nan 0.000 0.308 410 V C -0.677 175.339 176.094 -0.130 0.000 1.048 410 V CA -1.524 60.635 62.300 -0.236 0.000 0.928 410 V CB 3.300 34.837 31.823 -0.478 0.000 1.004 410 V HN 0.707 8.816 8.190 -0.135 0.000 0.444 411 A N 2.703 125.466 122.820 -0.095 0.000 2.462 411 A HA 0.054 nan 4.320 nan 0.000 0.243 411 A C 1.454 179.011 177.584 -0.044 0.000 1.076 411 A CA 0.337 52.345 52.037 -0.048 0.000 0.773 411 A CB 0.268 19.254 19.000 -0.023 0.000 1.010 411 A HN 0.194 8.284 8.150 -0.101 0.000 0.493 412 Q N 4.463 124.246 119.800 -0.028 0.000 2.152 412 Q HA -0.429 nan 4.340 nan 0.000 0.206 412 Q C 2.493 178.490 176.000 -0.006 0.000 0.985 412 Q CA 3.735 59.527 55.803 -0.019 0.000 0.863 412 Q CB -0.212 28.518 28.738 -0.013 0.000 0.904 412 Q HN 0.174 8.430 8.270 -0.023 0.000 0.422 413 D N -1.794 118.606 120.400 -0.000 0.000 2.263 413 D HA -0.162 nan 4.640 nan 0.000 0.208 413 D C 1.019 177.334 176.300 0.025 0.000 0.971 413 D CA 2.622 56.628 54.000 0.010 0.000 0.867 413 D CB -0.465 40.341 40.800 0.011 0.000 0.929 413 D HN 0.479 8.834 8.370 -0.003 0.014 0.492 414 S N -1.661 114.056 115.700 0.027 0.000 2.524 414 S HA 0.183 nan 4.470 nan 0.000 0.215 414 S C 1.014 175.678 174.600 0.107 0.000 0.986 414 S CA 0.248 58.495 58.200 0.079 0.000 0.911 414 S CB 1.088 64.344 63.200 0.095 0.000 0.805 414 S HN -0.226 7.912 8.310 0.005 0.175 0.501 415 V N 2.578 122.507 119.914 0.025 0.000 2.332 415 V HA -0.457 nan 4.120 nan 0.000 0.248 415 V C 0.979 177.121 176.094 0.081 0.000 1.055 415 V CA 4.359 66.672 62.300 0.023 0.000 1.038 415 V CB -0.984 30.832 31.823 -0.011 0.000 0.651 415 V HN -0.530 7.533 8.190 0.002 0.129 0.450 416 A N -1.290 121.566 122.820 0.060 0.000 1.865 416 A HA -0.404 nan 4.320 nan 0.000 0.217 416 A C 1.591 179.212 177.584 0.062 0.000 1.191 416 A CA 3.657 55.724 52.037 0.049 0.000 0.623 416 A CB -1.018 18.000 19.000 0.030 0.000 0.826 416 A HN 0.106 8.272 8.150 0.045 0.011 0.444 417 A N -1.928 120.936 122.820 0.074 0.000 1.933 417 A HA -0.273 nan 4.320 nan 0.000 0.218 417 A C 2.328 179.925 177.584 0.022 0.000 1.175 417 A CA 2.887 54.948 52.037 0.039 0.000 0.628 417 A CB -1.108 17.909 19.000 0.027 0.000 0.814 417 A HN -0.131 8.070 8.150 0.084 0.000 0.444 418 H N -1.030 118.041 119.070 0.001 0.000 2.321 418 H HA -0.312 nan 4.556 nan 0.000 0.300 418 H C 2.634 177.964 175.328 0.003 0.000 1.087 418 H CA 4.250 60.299 56.048 0.002 0.000 1.319 418 H CB 0.205 29.969 29.762 0.002 0.000 1.379 418 H HN -0.635 7.737 8.280 0.300 0.088 0.501 419 L N -1.265 120.032 121.223 0.124 0.000 2.046 419 L HA -0.420 nan 4.340 nan 0.000 0.208 419 L C 1.809 178.701 176.870 0.036 0.000 1.077 419 L CA 3.208 58.089 54.840 0.068 0.000 0.747 419 L CB -0.484 41.606 42.059 0.052 0.000 0.896 419 L HN 0.218 8.533 8.230 0.142 0.000 0.432 420 R N -1.592 118.922 120.500 0.024 0.000 2.105 420 R HA -0.420 nan 4.340 nan 0.000 0.239 420 R C 2.523 178.819 176.300 -0.008 0.000 1.135 420 R CA 3.916 60.019 56.100 0.005 0.000 0.967 420 R CB -0.160 30.140 30.300 -0.001 0.000 0.861 420 R HN -0.323 7.960 8.270 0.034 0.007 0.442 421 T N 1.805 116.345 114.554 -0.022 0.000 2.732 421 T HA -0.194 nan 4.350 nan 0.000 0.261 421 T C 2.492 177.183 174.700 -0.014 0.000 1.040 421 T CA 4.052 66.131 62.100 -0.036 0.000 1.145 421 T CB -0.456 68.364 68.868 -0.080 0.000 0.866 421 T HN -0.623 7.504 8.240 -0.026 0.097 0.427 422 L N 0.167 121.391 121.223 0.002 0.000 2.129 422 L HA -0.377 nan 4.340 nan 0.000 0.212 422 L C 1.878 178.755 176.870 0.013 0.000 1.087 422 L CA 3.156 58.005 54.840 0.015 0.000 0.757 422 L CB -0.240 41.841 42.059 0.036 0.000 0.896 422 L HN -0.199 8.036 8.230 0.008 0.000 0.434 423 L N -6.459 114.771 121.223 0.012 0.000 2.416 423 L HA -0.064 nan 4.340 nan 0.000 0.216 423 L C 0.538 177.409 176.870 0.003 0.000 1.098 423 L CA -0.085 54.761 54.840 0.010 0.000 0.840 423 L CB 0.219 42.287 42.059 0.014 0.000 0.981 423 L HN -0.339 7.870 8.230 0.011 0.028 0.462 424 G N 0.000 108.799 108.800 -0.002 0.000 5.446 424 G HA2 0.000 nan 3.960 nan 0.000 0.244 424 G HA3 0.000 nan 3.960 nan 0.000 0.244 424 G CA 0.000 45.096 45.100 -0.007 0.000 0.502 424 G HN 0.000 8.192 8.290 -0.003 0.096 0.925