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 3cll_1_A DATA FIRST_RESID 27 DATA SEQUENCE FDLGELKLWS FWRAAIAEFI ATLLFLYITV ATVIGHSKET VVCGSVGLLG DATA SEQUENCE IAWAFGGMIF VLVYCTAGIS GGHINPAVTF GLFLARKVEL LRALVYMIAQ DATA SEQUENCE CLGAICGVGL VKAFMKGPYN QFGGGANSVA LGYNKGTALG AEIIGTFVLV DATA SEQUENCE YTVFSATDPK RSARDSHVPI LAPLPIGFAV FMVHLATIPI TGTGINPARS DATA SEQUENCE FGAAVIFNSN KVWDDQWIFW VGPFIGAAVA AAYHQYVLRA A 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 27 F HA 0.000 nan 4.527 nan 0.000 0.279 27 F C 0.000 175.815 175.800 0.025 0.000 0.967 27 F CA 0.000 58.012 58.000 0.021 0.000 1.383 27 F CB 0.000 39.011 39.000 0.019 0.000 1.145 28 D N 0.639 121.189 120.400 0.250 0.000 3.044 28 D HA -0.267 4.564 4.640 0.317 0.000 0.196 28 D C 1.630 178.021 176.300 0.152 0.000 1.210 28 D CA 1.434 55.543 54.000 0.181 0.000 0.852 28 D CB -0.398 40.493 40.800 0.151 0.000 0.951 28 D HN 0.302 nan 8.370 nan 0.000 0.365 29 L N -0.506 120.814 121.223 0.163 0.000 2.127 29 L HA -0.046 4.484 4.340 0.317 0.000 0.211 29 L C 2.606 179.536 176.870 0.100 0.000 1.089 29 L CA 2.260 57.171 54.840 0.117 0.000 0.757 29 L CB -0.898 41.228 42.059 0.112 0.000 0.899 29 L HN 0.271 nan 8.230 nan 0.000 0.434 30 G N -2.049 106.806 108.800 0.092 0.000 2.443 30 G HA2 -0.171 3.979 3.960 0.317 0.000 0.219 30 G HA3 -0.171 3.979 3.960 0.317 0.000 0.219 30 G C 0.494 175.471 174.900 0.128 0.000 1.131 30 G CA 0.666 45.811 45.100 0.075 0.000 0.775 30 G HN 0.391 nan 8.290 nan 0.000 0.547 31 E N -2.583 117.717 120.200 0.167 0.000 2.936 31 E HA -0.125 4.415 4.350 0.317 0.000 0.328 31 E C 0.852 177.655 176.600 0.338 0.000 0.912 31 E CA 0.485 57.031 56.400 0.245 0.000 1.060 31 E CB -1.710 28.172 29.700 0.304 0.000 1.475 31 E HN 0.456 nan 8.360 nan 0.000 0.395 32 L N -0.688 120.689 121.223 0.257 0.000 2.577 32 L HA 0.424 4.954 4.340 0.317 0.000 0.225 32 L C 1.533 178.553 176.870 0.250 0.000 1.053 32 L CA 2.191 57.152 54.840 0.201 0.000 0.866 32 L CB 0.286 42.419 42.059 0.122 0.000 1.132 32 L HN 0.246 nan 8.230 nan 0.000 0.486 33 K N -3.039 117.526 120.400 0.275 0.000 5.808 33 K HA -0.129 4.381 4.320 0.317 0.000 0.239 33 K C 0.917 177.621 176.600 0.173 0.000 2.192 33 K CA 0.592 56.996 56.287 0.195 0.000 1.265 33 K CB -0.760 31.825 32.500 0.142 0.000 2.077 33 K HN -0.015 nan 8.250 nan 0.000 0.365 34 L N 0.560 121.856 121.223 0.123 0.000 3.045 34 L HA -0.393 4.137 4.340 0.317 0.000 0.232 34 L C 1.736 178.751 176.870 0.242 0.000 3.384 34 L CA 3.399 58.321 54.840 0.137 0.000 0.793 34 L CB -1.528 40.593 42.059 0.104 0.000 2.550 34 L HN 0.681 nan 8.230 nan 0.000 0.401 35 W N -0.152 121.279 121.300 0.218 0.000 2.358 35 W HA -0.160 4.690 4.660 0.316 0.000 0.303 35 W C 2.924 179.567 176.519 0.206 0.000 1.208 35 W CA 1.631 59.114 57.345 0.230 0.000 1.274 35 W CB -0.728 28.820 29.460 0.148 0.000 1.138 35 W HN 0.250 nan 8.180 nan 0.000 0.515 36 S N -0.018 115.902 115.700 0.366 0.000 2.374 36 S HA -0.264 4.396 4.470 0.317 0.000 0.227 36 S C 1.576 176.290 174.600 0.190 0.000 1.037 36 S CA 1.658 59.996 58.200 0.230 0.000 1.024 36 S CB -0.849 62.449 63.200 0.165 0.000 0.861 36 S HN 0.321 nan 8.310 nan 0.000 0.456 37 F N 0.603 120.561 119.950 0.014 0.000 2.102 37 F HA -0.133 4.585 4.527 0.319 0.000 0.298 37 F C 1.845 177.562 175.800 -0.138 0.000 1.105 37 F CA 1.471 59.391 58.000 -0.133 0.000 1.239 37 F CB -0.419 38.387 39.000 -0.323 0.000 0.991 37 F HN 0.240 nan 8.300 nan 0.000 0.474 38 W N 0.625 122.045 121.300 0.200 0.000 2.402 38 W HA -0.030 4.820 4.660 0.317 0.000 0.286 38 W C 2.542 179.058 176.519 -0.005 0.000 1.221 38 W CA 0.750 58.123 57.345 0.047 0.000 1.257 38 W CB -0.255 29.215 29.460 0.016 0.000 1.120 38 W HN -0.146 nan 8.180 nan 0.000 0.551 39 R N 0.094 120.742 120.500 0.246 0.000 2.092 39 R HA -0.075 4.456 4.340 0.317 0.000 0.231 39 R C 2.371 178.702 176.300 0.053 0.000 1.119 39 R CA 1.283 57.480 56.100 0.160 0.000 0.970 39 R CB -0.777 29.629 30.300 0.176 0.000 0.864 39 R HN 0.124 nan 8.270 nan 0.000 0.440 40 A N 1.488 124.305 122.820 -0.006 0.000 1.883 40 A HA -0.160 4.350 4.320 0.317 0.000 0.217 40 A C 2.404 179.861 177.584 -0.211 0.000 1.186 40 A CA 1.798 53.772 52.037 -0.105 0.000 0.624 40 A CB -0.790 18.183 19.000 -0.046 0.000 0.822 40 A HN 0.388 nan 8.150 nan 0.000 0.444 41 A N -0.175 122.547 122.820 -0.162 0.000 1.908 41 A HA -0.127 4.384 4.320 0.317 0.000 0.218 41 A C 2.144 179.743 177.584 0.026 0.000 1.181 41 A CA 1.643 53.624 52.037 -0.094 0.000 0.627 41 A CB -0.645 18.367 19.000 0.019 0.000 0.818 41 A HN 0.517 nan 8.150 nan 0.000 0.445 42 I N -0.382 120.239 120.570 0.085 0.000 2.226 42 I HA -0.280 4.080 4.170 0.317 0.000 0.245 42 I C 2.976 179.166 176.117 0.123 0.000 1.100 42 I CA 1.014 62.395 61.300 0.135 0.000 1.374 42 I CB -0.333 37.739 38.000 0.119 0.000 1.057 42 I HN 0.369 nan 8.210 nan 0.000 0.413 43 A N 0.281 123.109 122.820 0.013 0.000 1.902 43 A HA -0.201 4.309 4.320 0.317 0.000 0.217 43 A C 2.236 179.769 177.584 -0.084 0.000 1.181 43 A CA 1.558 53.571 52.037 -0.040 0.000 0.623 43 A CB -0.401 18.544 19.000 -0.091 0.000 0.818 43 A HN 0.357 nan 8.150 nan 0.000 0.443 44 E N -1.235 118.863 120.200 -0.169 0.000 2.152 44 E HA -0.103 4.437 4.350 0.317 0.000 0.192 44 E C 1.724 178.302 176.600 -0.037 0.000 0.983 44 E CA 0.806 57.083 56.400 -0.206 0.000 0.818 44 E CB -0.372 29.050 29.700 -0.463 0.000 0.758 44 E HN 0.714 nan 8.360 nan 0.000 0.467 45 F N 1.768 121.674 119.950 -0.073 0.000 2.075 45 F HA -0.199 4.520 4.527 0.320 0.000 0.297 45 F C 2.058 177.863 175.800 0.009 0.000 1.113 45 F CA 1.185 59.185 58.000 0.000 0.000 1.218 45 F CB -0.113 38.901 39.000 0.023 0.000 0.984 45 F HN -0.115 nan 8.300 nan 0.000 0.472 46 I N 0.907 121.442 120.570 -0.058 0.000 2.252 46 I HA -0.200 4.161 4.170 0.317 0.000 0.245 46 I C 2.757 178.789 176.117 -0.142 0.000 1.102 46 I CA 1.381 62.590 61.300 -0.152 0.000 1.385 46 I CB -2.130 35.891 38.000 0.035 0.000 1.064 46 I HN 0.293 nan 8.210 nan 0.000 0.414 47 A N 0.669 123.437 122.820 -0.087 0.000 1.902 47 A HA -0.197 4.314 4.320 0.317 0.000 0.217 47 A C 2.386 179.953 177.584 -0.028 0.000 1.181 47 A CA 2.478 54.478 52.037 -0.062 0.000 0.623 47 A CB -1.082 17.871 19.000 -0.078 0.000 0.818 47 A HN 0.436 nan 8.150 nan 0.000 0.443 48 T N 0.069 114.594 114.554 -0.048 0.000 2.904 48 T HA -0.045 4.496 4.350 0.317 0.000 0.267 48 T C 1.829 176.537 174.700 0.012 0.000 1.059 48 T CA 1.104 63.235 62.100 0.051 0.000 1.137 48 T CB -0.341 68.560 68.868 0.055 0.000 0.879 48 T HN 0.394 nan 8.240 nan 0.000 0.467 49 L N 0.729 121.844 121.223 -0.180 0.000 2.017 49 L HA -0.060 4.471 4.340 0.317 0.000 0.208 49 L C 2.252 179.088 176.870 -0.058 0.000 1.073 49 L CA 1.466 56.183 54.840 -0.204 0.000 0.745 49 L CB -0.336 41.472 42.059 -0.419 0.000 0.894 49 L HN 0.244 nan 8.230 nan 0.000 0.432 50 L N -1.215 119.992 121.223 -0.028 0.000 2.046 50 L HA -0.258 4.273 4.340 0.317 0.000 0.208 50 L C 2.548 179.487 176.870 0.115 0.000 1.077 50 L CA 1.275 56.145 54.840 0.049 0.000 0.747 50 L CB -0.778 41.297 42.059 0.027 0.000 0.896 50 L HN 0.291 nan 8.230 nan 0.000 0.432 51 F N 0.591 120.505 119.950 -0.059 0.000 2.069 51 F HA -0.269 4.445 4.527 0.311 0.000 0.298 51 F C 2.256 177.989 175.800 -0.113 0.000 1.113 51 F CA 1.600 59.553 58.000 -0.078 0.000 1.214 51 F CB -0.306 38.672 39.000 -0.037 0.000 0.978 51 F HN -0.132 nan 8.300 nan 0.000 0.474 52 L N -0.790 120.333 121.223 -0.167 0.000 2.093 52 L HA -0.224 4.307 4.340 0.317 0.000 0.208 52 L C 2.367 179.095 176.870 -0.237 0.000 1.085 52 L CA 1.753 56.417 54.840 -0.293 0.000 0.755 52 L CB -1.760 40.226 42.059 -0.122 0.000 0.904 52 L HN 0.334 nan 8.230 nan 0.000 0.435 53 Y N 0.656 120.831 120.300 -0.208 0.000 2.089 53 Y HA -0.253 4.487 4.550 0.317 0.000 0.282 53 Y C 2.604 178.391 175.900 -0.188 0.000 1.139 53 Y CA 1.601 59.587 58.100 -0.190 0.000 1.123 53 Y CB -0.129 38.230 38.460 -0.170 0.000 0.980 53 Y HN -0.029 nan 8.280 nan 0.000 0.493 54 I N 0.544 120.950 120.570 -0.273 0.000 2.179 54 I HA -0.282 4.078 4.170 0.317 0.000 0.242 54 I C 2.538 178.363 176.117 -0.486 0.000 1.088 54 I CA 2.229 63.315 61.300 -0.357 0.000 1.357 54 I CB -1.852 36.085 38.000 -0.106 0.000 1.051 54 I HN 0.500 nan 8.210 nan 0.000 0.409 55 T N -1.142 113.043 114.554 -0.616 0.000 2.812 55 T HA -0.052 4.488 4.350 0.317 0.000 0.264 55 T C 1.933 176.271 174.700 -0.603 0.000 1.042 55 T CA 1.125 62.679 62.100 -0.911 0.000 1.140 55 T CB -0.941 66.778 68.868 -1.916 0.000 0.870 55 T HN 0.110 nan 8.240 nan 0.000 0.445 56 V N 2.086 121.735 119.914 -0.442 0.000 2.548 56 V HA 0.081 4.391 4.120 0.317 0.000 0.249 56 V C 3.249 179.219 176.094 -0.207 0.000 1.055 56 V CA 1.168 63.336 62.300 -0.220 0.000 1.065 56 V CB -1.366 30.395 31.823 -0.103 0.000 0.681 56 V HN 0.669 nan 8.190 nan 0.000 0.462 57 A N 0.340 122.944 122.820 -0.360 0.000 1.908 57 A HA -0.234 4.276 4.320 0.317 0.000 0.218 57 A C 2.411 179.871 177.584 -0.207 0.000 1.181 57 A CA 2.585 54.430 52.037 -0.321 0.000 0.627 57 A CB -0.964 17.673 19.000 -0.605 0.000 0.818 57 A HN 0.504 nan 8.150 nan 0.000 0.445 58 T N -0.241 114.170 114.554 -0.239 0.000 2.674 58 T HA -0.135 4.406 4.350 0.317 0.000 0.265 58 T C 1.893 176.548 174.700 -0.075 0.000 1.039 58 T CA 1.627 63.635 62.100 -0.152 0.000 1.150 58 T CB -0.595 68.162 68.868 -0.186 0.000 0.864 58 T HN 0.160 nan 8.240 nan 0.000 0.427 59 V N 1.902 121.770 119.914 -0.078 0.000 2.287 59 V HA -0.166 4.144 4.120 0.317 0.000 0.248 59 V C 2.516 178.604 176.094 -0.010 0.000 1.053 59 V CA 1.384 63.682 62.300 -0.003 0.000 1.027 59 V CB -0.630 31.194 31.823 0.001 0.000 0.646 59 V HN 0.420 nan 8.190 nan 0.000 0.447 60 I N 0.986 121.530 120.570 -0.044 0.000 2.252 60 I HA -0.104 4.256 4.170 0.317 0.000 0.245 60 I C 2.668 178.731 176.117 -0.090 0.000 1.102 60 I CA 1.834 63.107 61.300 -0.044 0.000 1.385 60 I CB -2.061 35.964 38.000 0.042 0.000 1.064 60 I HN 0.375 nan 8.210 nan 0.000 0.414 61 G N 0.301 109.064 108.800 -0.062 0.000 2.440 61 G HA2 -0.347 3.803 3.960 0.317 0.000 0.218 61 G HA3 -0.347 3.803 3.960 0.317 0.000 0.218 61 G C 1.656 176.501 174.900 -0.091 0.000 1.154 61 G CA 1.436 46.496 45.100 -0.067 0.000 0.767 61 G HN 0.516 nan 8.290 nan 0.000 0.552 62 H N 0.796 119.784 119.070 -0.137 0.000 2.321 62 H HA 0.022 4.771 4.556 0.321 0.000 0.300 62 H C 2.620 177.810 175.328 -0.231 0.000 1.087 62 H CA 2.087 58.050 56.048 -0.142 0.000 1.319 62 H CB -0.206 29.498 29.762 -0.097 0.000 1.379 62 H HN 0.264 nan 8.280 nan 0.000 0.501 63 S N 0.461 115.828 115.700 -0.555 0.000 2.402 63 S HA -0.122 4.538 4.470 0.317 0.000 0.229 63 S C 1.805 175.613 174.600 -1.322 0.000 1.021 63 S CA 1.255 58.953 58.200 -0.837 0.000 0.974 63 S CB -0.148 62.717 63.200 -0.557 0.000 0.800 63 S HN 0.729 nan 8.310 nan 0.000 0.484 64 K N 1.556 121.330 120.400 -1.043 0.000 2.486 64 K HA 0.066 4.576 4.320 0.317 0.000 0.194 64 K C 0.346 176.702 176.600 -0.408 0.000 1.033 64 K CA 0.375 56.161 56.287 -0.835 0.000 1.004 64 K CB 0.033 32.374 32.500 -0.264 0.000 0.798 64 K HN 0.057 nan 8.250 nan 0.000 0.495 65 E N 2.431 122.394 120.200 -0.395 0.000 2.366 65 E HA -0.023 4.517 4.350 0.317 0.000 0.266 65 E C 0.490 176.982 176.600 -0.180 0.000 1.015 65 E CA 0.175 56.438 56.400 -0.229 0.000 0.906 65 E CB 1.249 30.823 29.700 -0.210 0.000 0.979 65 E HN 0.305 nan 8.360 nan 0.000 0.443 66 T N 0.683 115.179 114.554 -0.095 0.000 2.939 66 T HA 0.042 4.583 4.350 0.317 0.000 0.254 66 T C 0.796 175.470 174.700 -0.044 0.000 1.041 66 T CA 0.234 62.302 62.100 -0.053 0.000 1.142 66 T CB -0.136 68.722 68.868 -0.017 0.000 0.874 66 T HN 0.213 nan 8.240 nan 0.000 0.452 67 V N 3.696 123.585 119.914 -0.041 0.000 2.493 67 V HA 0.119 4.429 4.120 0.317 0.000 0.292 67 V C 0.702 176.777 176.094 -0.031 0.000 1.016 67 V CA -0.622 61.661 62.300 -0.028 0.000 1.097 67 V CB 0.121 31.930 31.823 -0.022 0.000 0.947 67 V HN 0.299 nan 8.190 nan 0.000 0.479 68 V N 5.282 125.184 119.914 -0.019 0.000 2.599 68 V HA -0.020 4.290 4.120 0.317 0.000 0.300 68 V C 1.111 177.205 176.094 -0.001 0.000 1.034 68 V CA 0.240 62.533 62.300 -0.011 0.000 1.115 68 V CB 0.243 32.065 31.823 -0.002 0.000 0.934 68 V HN 1.296 nan 8.190 nan 0.000 0.485 69 C N 3.112 122.418 119.300 0.011 0.000 4.274 69 C HA -0.151 4.499 4.460 0.317 0.000 0.297 69 C C 1.581 176.581 174.990 0.016 0.000 1.446 69 C CA 0.328 59.360 59.018 0.024 0.000 2.016 69 C CB -2.502 25.251 27.740 0.022 0.000 1.273 69 C HN 1.181 nan 8.230 nan 0.000 0.782 70 G N -0.323 108.480 108.800 0.004 0.000 3.502 70 G HA2 0.462 4.612 3.960 0.317 0.000 0.267 70 G HA3 0.462 4.612 3.960 0.317 0.000 0.267 70 G C 0.364 175.264 174.900 0.000 0.000 1.090 70 G CA 0.903 46.001 45.100 -0.003 0.000 0.795 70 G HN 0.933 nan 8.290 nan 0.000 0.535 71 S N -1.067 114.651 115.700 0.030 0.000 2.766 71 S HA 0.418 5.078 4.470 0.317 0.000 0.307 71 S C 1.474 176.121 174.600 0.079 0.000 1.121 71 S CA 0.129 58.367 58.200 0.064 0.000 0.980 71 S CB 1.365 64.647 63.200 0.137 0.000 1.159 71 S HN 0.526 nan 8.310 nan 0.000 0.546 72 V N -1.296 118.663 119.914 0.074 0.000 3.141 72 V HA 0.461 4.771 4.120 0.317 0.000 0.265 72 V C 1.309 177.419 176.094 0.027 0.000 1.126 72 V CA 0.769 63.092 62.300 0.038 0.000 1.141 72 V CB -2.035 29.795 31.823 0.011 0.000 0.743 72 V HN 1.982 nan 8.190 nan 0.000 0.492 73 G N -0.405 108.412 108.800 0.028 0.000 2.795 73 G HA2 -0.170 3.981 3.960 0.317 0.000 0.664 73 G HA3 -0.170 3.981 3.960 0.317 0.000 0.664 73 G C -0.285 174.419 174.900 -0.326 0.000 1.381 73 G CA -0.200 44.840 45.100 -0.099 0.000 0.853 73 G HN 0.346 nan 8.290 nan 0.000 0.545 74 L N -0.072 120.957 121.223 -0.324 0.000 2.187 74 L HA 0.012 4.542 4.340 0.317 0.000 0.213 74 L C 2.890 179.726 176.870 -0.057 0.000 1.100 74 L CA 2.317 57.026 54.840 -0.219 0.000 0.765 74 L CB -0.813 41.170 42.059 -0.127 0.000 0.904 74 L HN 0.678 nan 8.230 nan 0.000 0.437 75 L N -0.597 120.628 121.223 0.003 0.000 2.056 75 L HA -0.021 4.510 4.340 0.317 0.000 0.207 75 L C 2.349 179.326 176.870 0.178 0.000 1.078 75 L CA 2.017 56.922 54.840 0.107 0.000 0.749 75 L CB -1.325 40.825 42.059 0.152 0.000 0.901 75 L HN 0.233 nan 8.230 nan 0.000 0.433 76 G N -0.365 108.507 108.800 0.120 0.000 2.418 76 G HA2 -0.241 3.909 3.960 0.317 0.000 0.217 76 G HA3 -0.241 3.909 3.960 0.317 0.000 0.217 76 G C 1.665 176.615 174.900 0.083 0.000 1.158 76 G CA 1.087 46.260 45.100 0.121 0.000 0.771 76 G HN 0.458 nan 8.290 nan 0.000 0.545 77 I N 1.400 121.984 120.570 0.023 0.000 2.127 77 I HA -0.230 4.130 4.170 0.317 0.000 0.241 77 I C 3.333 179.553 176.117 0.172 0.000 1.075 77 I CA 1.102 62.439 61.300 0.062 0.000 1.334 77 I CB -0.278 37.739 38.000 0.030 0.000 1.040 77 I HN 0.252 nan 8.210 nan 0.000 0.405 78 A N 0.095 123.006 122.820 0.153 0.000 1.892 78 A HA -0.276 4.234 4.320 0.317 0.000 0.218 78 A C 2.095 179.727 177.584 0.081 0.000 1.188 78 A CA 1.744 53.882 52.037 0.168 0.000 0.631 78 A CB -1.362 17.770 19.000 0.220 0.000 0.822 78 A HN 0.591 nan 8.150 nan 0.000 0.447 79 W N -0.470 120.758 121.300 -0.120 0.000 2.342 79 W HA -0.115 4.653 4.660 0.181 0.000 0.297 79 W C 2.759 179.108 176.519 -0.284 0.000 1.213 79 W CA 1.157 58.215 57.345 -0.478 0.000 1.251 79 W CB 0.003 29.192 29.460 -0.452 0.000 1.136 79 W HN 0.446 nan 8.180 nan 0.000 0.526 80 A N -0.453 122.396 122.820 0.048 0.000 1.898 80 A HA -0.169 4.341 4.320 0.317 0.000 0.216 80 A C 1.629 179.128 177.584 -0.141 0.000 1.181 80 A CA 1.378 53.353 52.037 -0.102 0.000 0.620 80 A CB -1.204 17.652 19.000 -0.240 0.000 0.819 80 A HN 0.268 nan 8.150 nan 0.000 0.442 81 F N 0.282 120.169 119.950 -0.105 0.000 2.075 81 F HA -0.031 4.682 4.527 0.310 0.000 0.297 81 F C 2.718 178.553 175.800 0.059 0.000 1.113 81 F CA 1.467 59.434 58.000 -0.055 0.000 1.218 81 F CB -0.944 37.694 39.000 -0.603 0.000 0.984 81 F HN 0.277 nan 8.300 nan 0.000 0.472 82 G N -0.608 108.265 108.800 0.122 0.000 2.404 82 G HA2 -0.135 4.016 3.960 0.317 0.000 0.215 82 G HA3 -0.135 4.016 3.960 0.317 0.000 0.215 82 G C 2.012 176.999 174.900 0.146 0.000 1.174 82 G CA 0.787 45.950 45.100 0.105 0.000 0.780 82 G HN 0.524 nan 8.290 nan 0.000 0.537 83 G N 0.272 109.161 108.800 0.149 0.000 2.422 83 G HA2 -0.123 4.028 3.960 0.317 0.000 0.218 83 G HA3 -0.123 4.028 3.960 0.317 0.000 0.218 83 G C 1.795 176.806 174.900 0.186 0.000 1.140 83 G CA 0.844 46.078 45.100 0.224 0.000 0.775 83 G HN 0.261 nan 8.290 nan 0.000 0.545 84 M N 0.503 120.185 119.600 0.137 0.000 2.254 84 M HA 0.120 4.790 4.480 0.317 0.000 0.265 84 M C 2.487 178.820 176.300 0.055 0.000 1.066 84 M CA 0.548 55.919 55.300 0.118 0.000 1.123 84 M CB -0.642 32.093 32.600 0.224 0.000 1.388 84 M HN 0.120 nan 8.290 nan 0.000 0.425 85 I N -0.239 120.355 120.570 0.041 0.000 2.179 85 I HA -0.293 4.067 4.170 0.317 0.000 0.242 85 I C 2.438 178.599 176.117 0.073 0.000 1.088 85 I CA 1.371 62.624 61.300 -0.077 0.000 1.357 85 I CB -1.369 36.583 38.000 -0.079 0.000 1.051 85 I HN 0.174 nan 8.210 nan 0.000 0.409 86 F N 2.106 122.075 119.950 0.031 0.000 2.063 86 F HA -0.258 4.497 4.527 0.379 0.000 0.298 86 F C 2.476 178.320 175.800 0.073 0.000 1.109 86 F CA 1.819 59.862 58.000 0.071 0.000 1.212 86 F CB -0.980 38.077 39.000 0.096 0.000 0.973 86 F HN -0.139 nan 8.300 nan 0.000 0.480 87 V N 0.920 120.614 119.914 -0.366 0.000 2.295 87 V HA -0.309 4.001 4.120 0.317 0.000 0.246 87 V C 2.635 178.616 176.094 -0.188 0.000 1.049 87 V CA 2.159 64.186 62.300 -0.454 0.000 1.024 87 V CB -0.797 30.883 31.823 -0.239 0.000 0.648 87 V HN 0.429 nan 8.190 nan 0.000 0.447 88 L N -0.608 120.551 121.223 -0.107 0.000 2.072 88 L HA -0.104 4.427 4.340 0.317 0.000 0.205 88 L C 2.432 179.262 176.870 -0.067 0.000 1.079 88 L CA 0.931 55.724 54.840 -0.078 0.000 0.752 88 L CB -0.562 41.440 42.059 -0.094 0.000 0.906 88 L HN 0.189 nan 8.230 nan 0.000 0.436 89 V N -0.983 118.902 119.914 -0.048 0.000 2.427 89 V HA -0.322 3.989 4.120 0.317 0.000 0.248 89 V C 2.211 178.299 176.094 -0.011 0.000 1.051 89 V CA 1.683 63.973 62.300 -0.017 0.000 1.048 89 V CB -0.694 31.149 31.823 0.034 0.000 0.666 89 V HN 0.407 nan 8.190 nan 0.000 0.456 90 Y N 0.375 120.588 120.300 -0.144 0.000 2.165 90 Y HA -0.300 4.447 4.550 0.329 0.000 0.286 90 Y C 2.545 178.369 175.900 -0.126 0.000 1.155 90 Y CA 2.106 60.112 58.100 -0.157 0.000 1.164 90 Y CB -0.492 37.765 38.460 -0.338 0.000 0.978 90 Y HN 0.246 nan 8.280 nan 0.000 0.513 91 C N -0.359 118.930 119.300 -0.018 0.000 2.450 91 C HA -0.089 4.561 4.460 0.317 0.000 0.279 91 C C 2.525 177.433 174.990 -0.137 0.000 1.335 91 C CA 1.746 60.722 59.018 -0.069 0.000 1.749 91 C CB -1.380 26.357 27.740 -0.006 0.000 1.963 91 C HN 0.798 nan 8.230 nan 0.000 0.501 92 T N -2.180 112.299 114.554 -0.125 0.000 2.985 92 T HA 0.317 4.857 4.350 0.317 0.000 0.254 92 T C 1.807 176.430 174.700 -0.128 0.000 1.021 92 T CA 0.880 62.907 62.100 -0.123 0.000 0.957 92 T CB -0.195 68.598 68.868 -0.125 0.000 1.047 92 T HN 0.337 nan 8.240 nan 0.000 0.511 93 A N 2.203 124.947 122.820 -0.127 0.000 1.909 93 A HA 0.019 4.529 4.320 0.317 0.000 0.221 93 A C 2.564 180.091 177.584 -0.096 0.000 1.223 93 A CA 2.193 54.170 52.037 -0.099 0.000 0.658 93 A CB -1.669 17.270 19.000 -0.102 0.000 0.831 93 A HN 0.662 nan 8.150 nan 0.000 0.462 94 G N -1.474 107.254 108.800 -0.121 0.000 2.572 94 G HA2 0.114 4.264 3.960 0.317 0.000 0.216 94 G HA3 0.114 4.264 3.960 0.317 0.000 0.216 94 G C 1.233 176.089 174.900 -0.072 0.000 1.133 94 G CA 0.920 45.963 45.100 -0.095 0.000 0.791 94 G HN 0.422 nan 8.290 nan 0.000 0.538 95 I N 1.014 121.536 120.570 -0.079 0.000 2.729 95 I HA 0.034 4.394 4.170 0.317 0.000 0.256 95 I C 2.481 178.562 176.117 -0.060 0.000 1.115 95 I CA 1.609 62.873 61.300 -0.059 0.000 1.446 95 I CB -0.507 37.454 38.000 -0.065 0.000 1.176 95 I HN 0.305 nan 8.210 nan 0.000 0.446 96 S N -0.832 114.805 115.700 -0.105 0.000 2.604 96 S HA 0.371 5.031 4.470 0.317 0.000 0.235 96 S C 1.525 176.046 174.600 -0.131 0.000 1.043 96 S CA 0.564 58.682 58.200 -0.135 0.000 0.997 96 S CB 1.210 64.189 63.200 -0.369 0.000 0.956 96 S HN 0.512 nan 8.310 nan 0.000 0.535 97 G N 1.191 109.923 108.800 -0.114 0.000 2.213 97 G HA2 0.099 4.249 3.960 0.317 0.000 0.236 97 G HA3 0.099 4.249 3.960 0.317 0.000 0.236 97 G C 1.033 175.919 174.900 -0.024 0.000 0.991 97 G CA 0.106 45.167 45.100 -0.065 0.000 0.629 97 G HN 1.898 nan 8.290 nan 0.000 0.517 98 G N -0.478 108.243 108.800 -0.130 0.000 2.392 98 G HA2 -0.209 3.942 3.960 0.317 0.000 0.290 98 G HA3 -0.209 3.942 3.960 0.317 0.000 0.290 98 G C 0.470 175.429 174.900 0.099 0.000 1.032 98 G CA 1.312 46.379 45.100 -0.056 0.000 1.269 98 G HN 1.047 nan 8.290 nan 0.000 0.511 99 H N 0.698 119.723 119.070 -0.074 0.000 2.344 99 H HA 0.125 4.871 4.556 0.316 0.000 0.307 99 H C 2.072 177.360 175.328 -0.067 0.000 1.057 99 H CA 0.175 56.203 56.048 -0.033 0.000 1.373 99 H CB 0.279 30.079 29.762 0.063 0.000 1.421 99 H HN 0.590 nan 8.280 nan 0.000 0.532 100 I N 0.812 121.405 120.570 0.038 0.000 5.935 100 I HA -0.284 4.076 4.170 0.317 0.000 0.128 100 I C -0.301 175.823 176.117 0.012 0.000 1.817 100 I CA 0.532 61.805 61.300 -0.044 0.000 2.060 100 I CB -2.413 35.466 38.000 -0.201 0.000 3.409 100 I HN 0.548 nan 8.210 nan 0.000 0.176 101 N N 0.356 119.111 118.700 0.092 0.000 3.063 101 N HA 0.250 5.181 4.740 0.317 0.000 0.242 101 N C -2.268 173.333 175.510 0.151 0.000 1.146 101 N CA -0.923 52.189 53.050 0.104 0.000 0.974 101 N CB 1.719 40.242 38.487 0.060 0.000 1.584 101 N HN -0.312 nan 8.380 nan 0.000 0.636 102 P HA -0.042 nan 4.420 nan 0.000 0.218 102 P C 0.989 178.453 177.300 0.273 0.000 1.148 102 P CA 1.412 64.672 63.100 0.267 0.000 0.822 102 P CB 0.340 32.217 31.700 0.295 0.000 0.784 103 A N -0.906 122.074 122.820 0.267 0.000 1.969 103 A HA -0.106 4.405 4.320 0.317 0.000 0.218 103 A C 2.259 179.903 177.584 0.100 0.000 1.169 103 A CA 1.405 53.571 52.037 0.216 0.000 0.635 103 A CB -1.497 17.667 19.000 0.274 0.000 0.810 103 A HN 0.039 nan 8.150 nan 0.000 0.445 104 V N -0.522 119.420 119.914 0.047 0.000 2.323 104 V HA -0.181 4.130 4.120 0.317 0.000 0.244 104 V C 2.733 178.703 176.094 -0.208 0.000 1.041 104 V CA 2.381 64.626 62.300 -0.092 0.000 1.025 104 V CB -1.149 30.594 31.823 -0.132 0.000 0.656 104 V HN 0.577 nan 8.190 nan 0.000 0.451 105 T N 0.473 114.966 114.554 -0.101 0.000 2.684 105 T HA -0.236 4.305 4.350 0.317 0.000 0.267 105 T C 1.703 176.463 174.700 0.100 0.000 1.036 105 T CA 2.165 64.277 62.100 0.021 0.000 1.148 105 T CB -0.430 68.639 68.868 0.335 0.000 0.863 105 T HN 0.410 nan 8.240 nan 0.000 0.436 106 F N 2.155 122.036 119.950 -0.115 0.000 2.069 106 F HA 0.015 4.731 4.527 0.316 0.000 0.298 106 F C 2.463 178.258 175.800 -0.009 0.000 1.113 106 F CA 1.255 59.152 58.000 -0.173 0.000 1.214 106 F CB -1.142 37.401 39.000 -0.762 0.000 0.978 106 F HN 0.171 nan 8.300 nan 0.000 0.474 107 G N 0.899 109.635 108.800 -0.107 0.000 2.529 107 G HA2 -0.289 3.861 3.960 0.317 0.000 0.219 107 G HA3 -0.289 3.861 3.960 0.317 0.000 0.219 107 G C 1.848 176.778 174.900 0.051 0.000 1.177 107 G CA 1.422 46.496 45.100 -0.045 0.000 0.773 107 G HN 0.461 nan 8.290 nan 0.000 0.573 108 L N -0.808 120.359 121.223 -0.092 0.000 2.093 108 L HA 0.055 4.585 4.340 0.317 0.000 0.208 108 L C 2.548 179.406 176.870 -0.020 0.000 1.085 108 L CA 0.845 55.596 54.840 -0.149 0.000 0.755 108 L CB -0.465 41.405 42.059 -0.315 0.000 0.904 108 L HN 0.254 nan 8.230 nan 0.000 0.435 109 F N 1.044 120.936 119.950 -0.097 0.000 2.091 109 F HA -0.288 4.429 4.527 0.316 0.000 0.299 109 F C 2.181 177.922 175.800 -0.098 0.000 1.103 109 F CA 1.705 59.664 58.000 -0.068 0.000 1.228 109 F CB -0.352 38.637 39.000 -0.017 0.000 0.984 109 F HN -0.119 nan 8.300 nan 0.000 0.477 110 L N -0.032 120.942 121.223 -0.416 0.000 2.079 110 L HA -0.185 4.346 4.340 0.317 0.000 0.210 110 L C 2.487 179.149 176.870 -0.346 0.000 1.081 110 L CA 1.216 55.765 54.840 -0.486 0.000 0.752 110 L CB -1.009 40.801 42.059 -0.415 0.000 0.896 110 L HN 0.314 nan 8.230 nan 0.000 0.433 111 A N -0.659 122.050 122.820 -0.185 0.000 2.278 111 A HA 0.065 4.576 4.320 0.317 0.000 0.212 111 A C 1.041 178.559 177.584 -0.110 0.000 1.213 111 A CA -0.156 51.818 52.037 -0.104 0.000 0.840 111 A CB -0.250 18.845 19.000 0.159 0.000 0.866 111 A HN 0.447 nan 8.150 nan 0.000 0.489 112 R N -1.424 118.955 120.500 -0.202 0.000 3.532 112 R HA -0.137 4.394 4.340 0.317 0.000 0.284 112 R C 0.239 176.500 176.300 -0.065 0.000 1.140 112 R CA 1.099 57.099 56.100 -0.166 0.000 0.768 112 R CB -1.721 28.493 30.300 -0.143 0.000 1.252 112 R HN 0.475 nan 8.270 nan 0.000 0.454 113 K N -0.116 120.262 120.400 -0.036 0.000 2.353 113 K HA 0.186 4.696 4.320 0.317 0.000 0.195 113 K C 0.333 176.957 176.600 0.042 0.000 1.031 113 K CA 0.421 56.710 56.287 0.003 0.000 1.079 113 K CB 1.106 33.587 32.500 -0.032 0.000 0.857 113 K HN 0.032 nan 8.250 nan 0.000 0.535 114 V N 1.863 121.813 119.914 0.059 0.000 2.623 114 V HA 0.205 4.516 4.120 0.317 0.000 0.304 114 V C -0.345 175.857 176.094 0.181 0.000 1.054 114 V CA -1.037 61.328 62.300 0.109 0.000 0.882 114 V CB 2.272 34.184 31.823 0.148 0.000 1.002 114 V HN 0.074 nan 8.190 nan 0.000 0.424 115 E N 2.532 122.808 120.200 0.127 0.000 2.390 115 E HA 0.179 4.720 4.350 0.317 0.000 0.261 115 E C 0.914 177.639 176.600 0.209 0.000 1.076 115 E CA -0.335 56.163 56.400 0.163 0.000 0.905 115 E CB 1.017 30.766 29.700 0.082 0.000 0.984 115 E HN 0.608 nan 8.360 nan 0.000 0.427 116 L N 2.997 124.377 121.223 0.262 0.000 2.042 116 L HA -0.206 4.325 4.340 0.317 0.000 0.210 116 L C 1.622 178.489 176.870 -0.005 0.000 1.076 116 L CA 1.558 56.464 54.840 0.111 0.000 0.749 116 L CB -0.195 41.962 42.059 0.164 0.000 0.893 116 L HN 0.624 nan 8.230 nan 0.000 0.432 117 L N 0.200 121.443 121.223 0.034 0.000 2.046 117 L HA -0.210 4.320 4.340 0.317 0.000 0.208 117 L C 2.818 179.745 176.870 0.095 0.000 1.077 117 L CA 1.684 56.548 54.840 0.041 0.000 0.747 117 L CB -1.370 40.681 42.059 -0.013 0.000 0.896 117 L HN 0.379 nan 8.230 nan 0.000 0.432 118 R N -0.479 120.076 120.500 0.092 0.000 2.075 118 R HA -0.142 4.389 4.340 0.317 0.000 0.232 118 R C 2.241 178.363 176.300 -0.296 0.000 1.126 118 R CA 1.351 57.393 56.100 -0.097 0.000 0.963 118 R CB -0.084 30.083 30.300 -0.223 0.000 0.858 118 R HN 0.303 nan 8.270 nan 0.000 0.435 119 A N 1.350 124.079 122.820 -0.152 0.000 1.873 119 A HA -0.204 4.307 4.320 0.317 0.000 0.218 119 A C 2.215 179.807 177.584 0.014 0.000 1.193 119 A CA 1.645 53.639 52.037 -0.073 0.000 0.629 119 A CB -0.736 18.189 19.000 -0.125 0.000 0.826 119 A HN 0.364 nan 8.150 nan 0.000 0.447 120 L N -0.828 120.392 121.223 -0.006 0.000 2.056 120 L HA -0.136 4.395 4.340 0.317 0.000 0.207 120 L C 2.561 179.507 176.870 0.126 0.000 1.078 120 L CA 0.992 55.866 54.840 0.056 0.000 0.749 120 L CB -0.598 41.480 42.059 0.031 0.000 0.901 120 L HN 0.254 nan 8.230 nan 0.000 0.433 121 V N -0.915 119.074 119.914 0.124 0.000 2.287 121 V HA -0.328 3.983 4.120 0.317 0.000 0.248 121 V C 2.390 178.632 176.094 0.247 0.000 1.053 121 V CA 1.794 64.193 62.300 0.166 0.000 1.027 121 V CB -0.675 31.203 31.823 0.091 0.000 0.646 121 V HN 0.289 nan 8.190 nan 0.000 0.447 122 Y N -0.238 120.061 120.300 -0.002 0.000 2.128 122 Y HA -0.224 4.517 4.550 0.318 0.000 0.284 122 Y C 2.549 178.520 175.900 0.118 0.000 1.154 122 Y CA 1.285 59.405 58.100 0.033 0.000 1.149 122 Y CB -0.906 37.577 38.460 0.039 0.000 0.976 122 Y HN 0.232 nan 8.280 nan 0.000 0.505 123 M N -1.088 118.700 119.600 0.313 0.000 2.159 123 M HA -0.201 4.469 4.480 0.317 0.000 0.263 123 M C 2.126 178.586 176.300 0.266 0.000 1.063 123 M CA 1.653 57.125 55.300 0.287 0.000 1.110 123 M CB -0.589 32.189 32.600 0.296 0.000 1.374 123 M HN 0.167 nan 8.290 nan 0.000 0.411 124 I N 0.356 121.069 120.570 0.239 0.000 2.202 124 I HA -0.228 4.132 4.170 0.317 0.000 0.242 124 I C 2.818 179.095 176.117 0.267 0.000 1.091 124 I CA 1.171 62.611 61.300 0.233 0.000 1.368 124 I CB -0.638 37.481 38.000 0.198 0.000 1.058 124 I HN 0.241 nan 8.210 nan 0.000 0.410 125 A N 0.412 123.389 122.820 0.261 0.000 1.903 125 A HA -0.325 4.185 4.320 0.317 0.000 0.219 125 A C 2.244 180.021 177.584 0.321 0.000 1.191 125 A CA 2.125 54.346 52.037 0.306 0.000 0.638 125 A CB -0.790 18.338 19.000 0.215 0.000 0.823 125 A HN 0.510 nan 8.150 nan 0.000 0.451 126 Q N -1.281 118.657 119.800 0.229 0.000 2.046 126 Q HA -0.150 4.380 4.340 0.317 0.000 0.200 126 Q C 2.340 178.478 176.000 0.230 0.000 0.975 126 Q CA 1.646 57.560 55.803 0.185 0.000 0.836 126 Q CB -0.479 28.359 28.738 0.167 0.000 0.896 126 Q HN 0.748 nan 8.270 nan 0.000 0.428 127 C N 0.504 119.980 119.300 0.295 0.000 2.413 127 C HA -0.130 4.521 4.460 0.317 0.000 0.276 127 C C 2.542 177.766 174.990 0.390 0.000 1.236 127 C CA 0.619 59.875 59.018 0.397 0.000 1.735 127 C CB -1.000 27.000 27.740 0.433 0.000 2.031 127 C HN 0.483 nan 8.230 nan 0.000 0.474 128 L N 0.709 122.159 121.223 0.378 0.000 2.046 128 L HA -0.054 4.477 4.340 0.317 0.000 0.208 128 L C 2.845 179.929 176.870 0.356 0.000 1.077 128 L CA 1.815 56.903 54.840 0.414 0.000 0.747 128 L CB -1.280 41.057 42.059 0.463 0.000 0.896 128 L HN 0.507 nan 8.230 nan 0.000 0.432 129 G N -0.330 108.567 108.800 0.162 0.000 2.446 129 G HA2 -0.264 3.887 3.960 0.317 0.000 0.217 129 G HA3 -0.264 3.887 3.960 0.317 0.000 0.217 129 G C 1.783 176.591 174.900 -0.155 0.000 1.168 129 G CA 0.874 45.718 45.100 -0.428 0.000 0.771 129 G HN 0.467 nan 8.290 nan 0.000 0.551 130 A N 0.828 123.664 122.820 0.027 0.000 1.883 130 A HA -0.012 4.499 4.320 0.317 0.000 0.217 130 A C 2.418 180.024 177.584 0.036 0.000 1.186 130 A CA 1.465 53.538 52.037 0.060 0.000 0.624 130 A CB -0.427 18.660 19.000 0.146 0.000 0.822 130 A HN 0.382 nan 8.150 nan 0.000 0.444 131 I N -0.432 120.186 120.570 0.081 0.000 2.163 131 I HA -0.375 3.985 4.170 0.317 0.000 0.243 131 I C 2.566 178.687 176.117 0.008 0.000 1.085 131 I CA 1.503 62.830 61.300 0.046 0.000 1.347 131 I CB -0.522 37.536 38.000 0.097 0.000 1.044 131 I HN 0.406 nan 8.210 nan 0.000 0.408 132 C N 0.747 120.056 119.300 0.016 0.000 2.429 132 C HA -0.099 4.552 4.460 0.317 0.000 0.277 132 C C 2.982 177.922 174.990 -0.082 0.000 1.262 132 C CA 0.927 59.932 59.018 -0.022 0.000 1.733 132 C CB -1.848 25.893 27.740 0.001 0.000 2.010 132 C HN 0.691 nan 8.230 nan 0.000 0.483 133 G N 0.536 109.282 108.800 -0.090 0.000 2.421 133 G HA2 -0.158 3.993 3.960 0.317 0.000 0.216 133 G HA3 -0.158 3.993 3.960 0.317 0.000 0.216 133 G C 1.641 176.509 174.900 -0.052 0.000 1.171 133 G CA 1.402 46.466 45.100 -0.060 0.000 0.775 133 G HN 0.408 nan 8.290 nan 0.000 0.543 134 V N 1.598 121.470 119.914 -0.071 0.000 2.427 134 V HA -0.037 4.273 4.120 0.317 0.000 0.248 134 V C 3.146 179.116 176.094 -0.207 0.000 1.051 134 V CA 1.795 64.037 62.300 -0.096 0.000 1.048 134 V CB -1.115 30.685 31.823 -0.038 0.000 0.666 134 V HN 0.431 nan 8.190 nan 0.000 0.456 135 G N -0.176 108.524 108.800 -0.166 0.000 2.440 135 G HA2 -0.234 3.916 3.960 0.317 0.000 0.218 135 G HA3 -0.234 3.916 3.960 0.317 0.000 0.218 135 G C 1.619 176.375 174.900 -0.240 0.000 1.154 135 G CA 0.971 45.957 45.100 -0.191 0.000 0.767 135 G HN 0.435 nan 8.290 nan 0.000 0.552 136 L N 0.123 121.199 121.223 -0.245 0.000 2.046 136 L HA -0.105 4.425 4.340 0.317 0.000 0.208 136 L C 3.074 179.651 176.870 -0.487 0.000 1.077 136 L CA 0.745 55.334 54.840 -0.419 0.000 0.747 136 L CB -0.401 41.396 42.059 -0.437 0.000 0.896 136 L HN 0.130 nan 8.230 nan 0.000 0.432 137 V N 0.034 119.810 119.914 -0.231 0.000 2.287 137 V HA -0.356 3.954 4.120 0.317 0.000 0.248 137 V C 2.531 178.525 176.094 -0.167 0.000 1.053 137 V CA 2.034 64.243 62.300 -0.151 0.000 1.027 137 V CB -0.595 31.162 31.823 -0.111 0.000 0.646 137 V HN 0.458 nan 8.190 nan 0.000 0.447 138 K N 0.132 120.277 120.400 -0.425 0.000 2.057 138 K HA -0.186 4.325 4.320 0.317 0.000 0.207 138 K C 2.231 178.750 176.600 -0.136 0.000 1.049 138 K CA 1.515 57.518 56.287 -0.474 0.000 0.931 138 K CB -0.354 31.652 32.500 -0.822 0.000 0.714 138 K HN 0.430 nan 8.250 nan 0.000 0.440 139 A N 0.652 123.399 122.820 -0.122 0.000 1.948 139 A HA -0.156 4.355 4.320 0.317 0.000 0.220 139 A C 1.943 179.685 177.584 0.263 0.000 1.177 139 A CA 1.378 53.434 52.037 0.031 0.000 0.636 139 A CB -0.769 18.223 19.000 -0.012 0.000 0.815 139 A HN 0.437 nan 8.150 nan 0.000 0.449 140 F N -1.122 118.842 119.950 0.023 0.000 2.416 140 F HA 0.138 4.854 4.527 0.316 0.000 0.296 140 F C 1.455 177.288 175.800 0.054 0.000 1.099 140 F CA 0.619 58.649 58.000 0.051 0.000 1.427 140 F CB 0.145 39.205 39.000 0.101 0.000 1.079 140 F HN 0.293 nan 8.300 nan 0.000 0.536 141 M N -0.941 118.808 119.600 0.249 0.000 4.816 141 M HA 0.229 4.899 4.480 0.317 0.000 0.560 141 M C 0.215 176.637 176.300 0.204 0.000 2.256 141 M CA -0.200 55.217 55.300 0.196 0.000 0.410 141 M CB 0.476 33.191 32.600 0.191 0.000 1.476 141 M HN -0.111 nan 8.290 nan 0.000 0.613 142 K N 1.630 122.128 120.400 0.162 0.000 2.044 142 K HA -0.099 4.411 4.320 0.317 0.000 0.210 142 K C 1.599 178.317 176.600 0.197 0.000 1.049 142 K CA 2.612 58.999 56.287 0.167 0.000 0.927 142 K CB -0.203 32.359 32.500 0.104 0.000 0.713 142 K HN 0.746 nan 8.250 nan 0.000 0.443 143 G N 1.605 110.492 108.800 0.145 0.000 2.639 143 G HA2 -0.233 3.917 3.960 0.317 0.000 0.216 143 G HA3 -0.233 3.917 3.960 0.317 0.000 0.216 143 G C -0.885 174.099 174.900 0.139 0.000 1.267 143 G CA 1.055 46.225 45.100 0.117 0.000 0.801 143 G HN 0.399 nan 8.290 nan 0.000 0.592 144 P HA -0.168 nan 4.420 nan 0.000 0.219 144 P C 1.405 178.875 177.300 0.283 0.000 1.146 144 P CA 1.198 64.485 63.100 0.312 0.000 0.808 144 P CB -0.144 31.746 31.700 0.317 0.000 0.779 145 Y N 2.001 122.387 120.300 0.144 0.000 2.070 145 Y HA -0.226 4.514 4.550 0.316 0.000 0.280 145 Y C 2.212 178.196 175.900 0.140 0.000 1.148 145 Y CA 1.968 60.135 58.100 0.112 0.000 1.125 145 Y CB -0.913 37.600 38.460 0.088 0.000 0.975 145 Y HN -0.137 nan 8.280 nan 0.000 0.492 146 N N 0.295 119.131 118.700 0.227 0.000 2.084 146 N HA -0.226 4.704 4.740 0.317 0.000 0.190 146 N C 1.915 177.471 175.510 0.075 0.000 1.030 146 N CA 1.619 54.802 53.050 0.222 0.000 0.849 146 N CB -0.733 37.869 38.487 0.192 0.000 1.012 146 N HN 0.574 nan 8.380 nan 0.000 0.423 147 Q N -0.551 119.202 119.800 -0.078 0.000 2.135 147 Q HA -0.073 4.458 4.340 0.317 0.000 0.204 147 Q C 0.280 175.973 176.000 -0.511 0.000 0.981 147 Q CA 1.312 56.897 55.803 -0.364 0.000 0.856 147 Q CB 0.020 28.384 28.738 -0.625 0.000 0.902 147 Q HN 0.267 nan 8.270 nan 0.000 0.425 148 F N -1.531 118.358 119.950 -0.103 0.000 2.668 148 F HA 0.377 5.096 4.527 0.320 0.000 0.301 148 F C 0.995 176.616 175.800 -0.298 0.000 1.106 148 F CA 0.417 58.323 58.000 -0.157 0.000 1.289 148 F CB 1.395 40.318 39.000 -0.128 0.000 1.006 148 F HN 0.191 nan 8.300 nan 0.000 0.535 149 G N -0.695 107.893 108.800 -0.354 0.000 2.184 149 G HA2 -0.052 4.099 3.960 0.317 0.000 0.206 149 G HA3 -0.052 4.099 3.960 0.317 0.000 0.206 149 G C 1.221 175.249 174.900 -1.453 0.000 0.995 149 G CA -0.169 44.492 45.100 -0.731 0.000 0.651 149 G HN 0.976 nan 8.290 nan 0.000 0.511 150 G N -0.117 107.852 108.800 -1.385 0.000 2.180 150 G HA2 0.217 4.367 3.960 0.317 0.000 0.263 150 G HA3 0.217 4.367 3.960 0.317 0.000 0.263 150 G C 2.106 176.561 174.900 -0.742 0.000 0.989 150 G CA 1.212 45.326 45.100 -1.643 0.000 0.692 150 G HN 2.499 nan 8.290 nan 0.000 0.526 151 G N -1.459 107.036 108.800 -0.508 0.000 2.168 151 G HA2 0.140 4.290 3.960 0.317 0.000 0.257 151 G HA3 0.140 4.290 3.960 0.317 0.000 0.257 151 G C 0.769 175.507 174.900 -0.271 0.000 0.997 151 G CA 1.258 46.209 45.100 -0.248 0.000 0.708 151 G HN 2.313 nan 8.290 nan 0.000 0.520 152 A N -0.563 122.006 122.820 -0.418 0.000 2.351 152 A HA 0.660 5.170 4.320 0.317 0.000 0.257 152 A C 0.385 177.735 177.584 -0.390 0.000 1.087 152 A CA 0.057 51.869 52.037 -0.375 0.000 0.798 152 A CB 0.350 19.120 19.000 -0.382 0.000 1.033 152 A HN 0.544 nan 8.150 nan 0.000 0.488 153 N N 0.094 118.486 118.700 -0.512 0.000 2.479 153 N HA 0.559 5.489 4.740 0.317 0.000 0.285 153 N C -0.362 174.842 175.510 -0.511 0.000 1.075 153 N CA 0.260 52.872 53.050 -0.730 0.000 0.967 153 N CB 1.331 38.883 38.487 -1.559 0.000 1.137 153 N HN 0.835 nan 8.380 nan 0.000 0.472 154 S N -0.642 114.938 115.700 -0.200 0.000 2.636 154 S HA 0.394 5.055 4.470 0.317 0.000 0.268 154 S C -1.135 173.552 174.600 0.145 0.000 1.159 154 S CA -1.030 57.238 58.200 0.114 0.000 0.815 154 S CB 0.543 63.778 63.200 0.059 0.000 1.130 154 S HN 0.130 nan 8.310 nan 0.000 0.471 155 V N 1.836 121.837 119.914 0.145 0.000 2.508 155 V HA 0.624 4.935 4.120 0.317 0.000 0.281 155 V C 1.112 177.260 176.094 0.091 0.000 1.041 155 V CA 0.102 62.454 62.300 0.087 0.000 1.016 155 V CB 0.228 32.093 31.823 0.070 0.000 0.984 155 V HN 1.180 nan 8.190 nan 0.000 0.478 156 A N 5.420 128.293 122.820 0.088 0.000 2.313 156 A HA 0.588 5.099 4.320 0.317 0.000 0.261 156 A C 0.003 177.737 177.584 0.250 0.000 1.090 156 A CA -0.560 51.567 52.037 0.150 0.000 0.807 156 A CB 0.187 19.272 19.000 0.143 0.000 1.055 156 A HN 0.829 nan 8.150 nan 0.000 0.492 157 L N 0.863 122.186 121.223 0.167 0.000 2.455 157 L HA 0.374 4.904 4.340 0.317 0.000 0.272 157 L C 1.451 178.353 176.870 0.053 0.000 1.174 157 L CA 1.447 56.350 54.840 0.105 0.000 0.869 157 L CB 0.470 42.564 42.059 0.059 0.000 1.130 157 L HN 1.211 nan 8.230 nan 0.000 0.474 158 G N 2.330 111.108 108.800 -0.036 0.000 2.201 158 G HA2 -0.244 3.906 3.960 0.317 0.000 0.212 158 G HA3 -0.244 3.906 3.960 0.317 0.000 0.212 158 G C -0.364 174.281 174.900 -0.425 0.000 0.994 158 G CA -0.540 44.405 45.100 -0.258 0.000 0.644 158 G HN 0.502 nan 8.290 nan 0.000 0.508 159 Y N 1.147 121.451 120.300 0.007 0.000 2.485 159 Y HA 0.618 5.359 4.550 0.318 0.000 0.345 159 Y C 0.406 176.312 175.900 0.010 0.000 0.998 159 Y CA -0.739 57.363 58.100 0.004 0.000 1.059 159 Y CB 1.425 39.883 38.460 -0.004 0.000 1.234 159 Y HN 0.322 nan 8.280 nan 0.000 0.461 160 N N 0.157 118.951 118.700 0.157 0.000 2.491 160 N HA 0.268 5.198 4.740 0.317 0.000 0.279 160 N C 0.383 175.949 175.510 0.092 0.000 1.236 160 N CA -0.749 52.366 53.050 0.109 0.000 0.982 160 N CB 0.752 39.286 38.487 0.078 0.000 1.194 160 N HN 0.267 nan 8.380 nan 0.000 0.582 161 K N -0.549 119.905 120.400 0.090 0.000 2.097 161 K HA 0.020 4.530 4.320 0.317 0.000 0.205 161 K C 1.811 178.437 176.600 0.044 0.000 1.050 161 K CA 1.442 57.772 56.287 0.072 0.000 0.938 161 K CB -1.062 31.555 32.500 0.195 0.000 0.718 161 K HN 0.798 nan 8.250 nan 0.000 0.442 162 G N 0.473 109.320 108.800 0.078 0.000 2.408 162 G HA2 -0.208 3.943 3.960 0.317 0.000 0.217 162 G HA3 -0.208 3.943 3.960 0.317 0.000 0.217 162 G C 1.586 176.501 174.900 0.025 0.000 1.150 162 G CA 1.208 46.347 45.100 0.064 0.000 0.776 162 G HN 0.257 nan 8.290 nan 0.000 0.542 163 T N 1.648 116.223 114.554 0.036 0.000 2.737 163 T HA 0.024 4.565 4.350 0.317 0.000 0.265 163 T C 2.851 177.535 174.700 -0.028 0.000 1.038 163 T CA 1.521 63.642 62.100 0.035 0.000 1.144 163 T CB -0.415 68.521 68.868 0.114 0.000 0.866 163 T HN 0.352 nan 8.240 nan 0.000 0.434 164 A N 1.234 124.019 122.820 -0.059 0.000 1.908 164 A HA -0.072 4.438 4.320 0.317 0.000 0.218 164 A C 2.254 179.706 177.584 -0.219 0.000 1.181 164 A CA 1.559 53.502 52.037 -0.158 0.000 0.627 164 A CB -0.844 18.045 19.000 -0.186 0.000 0.818 164 A HN 0.432 nan 8.150 nan 0.000 0.445 165 L N -0.212 120.885 121.223 -0.210 0.000 2.093 165 L HA 0.058 4.589 4.340 0.317 0.000 0.208 165 L C 2.352 179.160 176.870 -0.103 0.000 1.085 165 L CA 2.186 56.896 54.840 -0.215 0.000 0.755 165 L CB -0.858 41.118 42.059 -0.137 0.000 0.904 165 L HN 0.281 nan 8.230 nan 0.000 0.435 166 G N -1.022 107.743 108.800 -0.059 0.000 2.402 166 G HA2 -0.217 3.934 3.960 0.317 0.000 0.216 166 G HA3 -0.217 3.934 3.960 0.317 0.000 0.216 166 G C 1.618 176.491 174.900 -0.045 0.000 1.162 166 G CA 0.663 45.742 45.100 -0.034 0.000 0.777 166 G HN 0.599 nan 8.290 nan 0.000 0.539 167 A N 0.717 123.497 122.820 -0.066 0.000 1.940 167 A HA -0.053 4.457 4.320 0.317 0.000 0.219 167 A C 2.242 179.788 177.584 -0.063 0.000 1.176 167 A CA 1.949 53.941 52.037 -0.075 0.000 0.631 167 A CB -0.264 18.667 19.000 -0.114 0.000 0.814 167 A HN 0.317 nan 8.150 nan 0.000 0.446 168 E N -0.262 119.893 120.200 -0.075 0.000 2.107 168 E HA -0.072 4.468 4.350 0.317 0.000 0.191 168 E C 2.022 178.630 176.600 0.013 0.000 0.982 168 E CA 0.827 57.201 56.400 -0.045 0.000 0.809 168 E CB -0.342 29.291 29.700 -0.112 0.000 0.756 168 E HN 0.732 nan 8.360 nan 0.000 0.459 169 I N 1.313 121.891 120.570 0.015 0.000 2.142 169 I HA -0.249 4.112 4.170 0.317 0.000 0.240 169 I C 2.553 178.734 176.117 0.106 0.000 1.078 169 I CA 0.898 62.243 61.300 0.074 0.000 1.343 169 I CB -0.167 37.864 38.000 0.052 0.000 1.046 169 I HN 0.110 nan 8.210 nan 0.000 0.405 170 I N 0.978 121.578 120.570 0.051 0.000 2.353 170 I HA -0.126 4.234 4.170 0.317 0.000 0.248 170 I C 2.372 178.567 176.117 0.130 0.000 1.119 170 I CA 1.623 62.960 61.300 0.061 0.000 1.417 170 I CB -0.951 37.033 38.000 -0.026 0.000 1.078 170 I HN 0.217 nan 8.210 nan 0.000 0.421 171 G N 0.156 108.997 108.800 0.069 0.000 2.442 171 G HA2 -0.250 3.900 3.960 0.317 0.000 0.219 171 G HA3 -0.250 3.900 3.960 0.317 0.000 0.219 171 G C 1.492 176.455 174.900 0.105 0.000 1.141 171 G CA 1.372 46.508 45.100 0.059 0.000 0.763 171 G HN 0.407 nan 8.290 nan 0.000 0.554 172 T N 0.398 115.029 114.554 0.128 0.000 2.942 172 T HA -0.010 4.531 4.350 0.317 0.000 0.265 172 T C 1.884 176.691 174.700 0.178 0.000 1.062 172 T CA 0.686 62.874 62.100 0.146 0.000 1.139 172 T CB -0.211 68.754 68.868 0.162 0.000 0.883 172 T HN 0.266 nan 8.240 nan 0.000 0.468 173 F N 2.313 122.316 119.950 0.089 0.000 2.095 173 F HA -0.175 4.542 4.527 0.317 0.000 0.298 173 F C 2.208 178.100 175.800 0.154 0.000 1.104 173 F CA 1.042 59.100 58.000 0.097 0.000 1.232 173 F CB -0.562 38.453 39.000 0.026 0.000 0.987 173 F HN -0.107 nan 8.300 nan 0.000 0.475 174 V N 0.830 120.925 119.914 0.303 0.000 2.282 174 V HA -0.330 3.980 4.120 0.317 0.000 0.249 174 V C 2.363 178.527 176.094 0.117 0.000 1.057 174 V CA 1.961 64.402 62.300 0.234 0.000 1.032 174 V CB -1.062 30.877 31.823 0.194 0.000 0.645 174 V HN 0.515 nan 8.190 nan 0.000 0.447 175 L N 0.214 121.495 121.223 0.097 0.000 1.989 175 L HA -0.124 4.407 4.340 0.317 0.000 0.211 175 L C 2.314 179.205 176.870 0.036 0.000 1.071 175 L CA 2.128 57.009 54.840 0.069 0.000 0.749 175 L CB -0.691 41.416 42.059 0.081 0.000 0.890 175 L HN 0.131 nan 8.230 nan 0.000 0.431 176 V N -0.937 118.999 119.914 0.037 0.000 2.548 176 V HA -0.242 4.069 4.120 0.317 0.000 0.249 176 V C 2.300 178.465 176.094 0.119 0.000 1.055 176 V CA 1.487 63.823 62.300 0.061 0.000 1.065 176 V CB -1.075 30.808 31.823 0.100 0.000 0.681 176 V HN 0.637 nan 8.190 nan 0.000 0.462 177 Y N 2.118 122.297 120.300 -0.202 0.000 2.165 177 Y HA -0.272 4.471 4.550 0.321 0.000 0.286 177 Y C 2.568 178.455 175.900 -0.021 0.000 1.155 177 Y CA 2.143 60.129 58.100 -0.190 0.000 1.164 177 Y CB -0.963 37.245 38.460 -0.420 0.000 0.978 177 Y HN 0.279 nan 8.280 nan 0.000 0.513 178 T N 0.451 114.914 114.554 -0.150 0.000 2.708 178 T HA -0.207 4.333 4.350 0.317 0.000 0.266 178 T C 2.212 176.835 174.700 -0.128 0.000 1.037 178 T CA 2.155 64.140 62.100 -0.192 0.000 1.146 178 T CB -1.169 67.651 68.868 -0.080 0.000 0.865 178 T HN 0.401 nan 8.240 nan 0.000 0.435 179 V N 0.542 120.403 119.914 -0.089 0.000 2.287 179 V HA -0.199 4.111 4.120 0.317 0.000 0.248 179 V C 2.087 178.037 176.094 -0.241 0.000 1.053 179 V CA 1.732 63.942 62.300 -0.150 0.000 1.027 179 V CB -1.129 30.582 31.823 -0.187 0.000 0.646 179 V HN 0.392 nan 8.190 nan 0.000 0.447 180 F N 1.856 121.637 119.950 -0.281 0.000 2.095 180 F HA -0.135 4.581 4.527 0.317 0.000 0.298 180 F C 2.847 178.361 175.800 -0.476 0.000 1.104 180 F CA 2.449 60.137 58.000 -0.520 0.000 1.232 180 F CB -0.816 37.656 39.000 -0.880 0.000 0.987 180 F HN 0.206 nan 8.300 nan 0.000 0.475 181 S N -0.494 115.122 115.700 -0.139 0.000 2.442 181 S HA -0.099 4.562 4.470 0.317 0.000 0.236 181 S C 1.876 176.448 174.600 -0.047 0.000 1.007 181 S CA 0.871 59.042 58.200 -0.048 0.000 0.965 181 S CB -0.501 62.590 63.200 -0.181 0.000 0.773 181 S HN 0.362 nan 8.310 nan 0.000 0.504 182 A N 1.570 124.341 122.820 -0.082 0.000 2.387 182 A HA 0.272 4.783 4.320 0.317 0.000 0.234 182 A C 1.070 178.625 177.584 -0.048 0.000 1.253 182 A CA -0.149 51.857 52.037 -0.051 0.000 0.894 182 A CB -0.409 18.566 19.000 -0.043 0.000 0.963 182 A HN 0.446 nan 8.150 nan 0.000 0.508 183 T N -1.100 113.412 114.554 -0.070 0.000 2.884 183 T HA 0.281 4.822 4.350 0.317 0.000 0.298 183 T C -0.416 174.277 174.700 -0.012 0.000 0.998 183 T CA -0.472 61.590 62.100 -0.063 0.000 1.124 183 T CB 1.250 70.058 68.868 -0.100 0.000 0.931 183 T HN 0.171 nan 8.240 nan 0.000 0.531 184 D N 3.983 124.378 120.400 -0.009 0.000 2.336 184 D HA 0.185 5.016 4.640 0.317 0.000 0.249 184 D C -1.050 175.259 176.300 0.015 0.000 1.213 184 D CA -2.228 51.775 54.000 0.006 0.000 0.870 184 D CB 1.598 42.398 40.800 0.001 0.000 1.076 184 D HN 0.347 nan 8.370 nan 0.000 0.483 185 P HA -0.042 nan 4.420 nan 0.000 0.230 185 P C 0.632 177.951 177.300 0.032 0.000 1.158 185 P CA 0.719 63.840 63.100 0.036 0.000 0.769 185 P CB 0.656 32.381 31.700 0.042 0.000 0.807 186 K N -0.878 119.536 120.400 0.023 0.000 2.313 186 K HA 0.154 4.664 4.320 0.317 0.000 0.197 186 K C 1.059 177.666 176.600 0.011 0.000 1.061 186 K CA 0.163 56.462 56.287 0.020 0.000 0.980 186 K CB 0.494 33.002 32.500 0.015 0.000 0.888 186 K HN 0.068 nan 8.250 nan 0.000 0.502 187 R N 0.822 121.324 120.500 0.003 0.000 2.514 187 R HA 0.385 4.915 4.340 0.317 0.000 0.301 187 R C -0.730 175.561 176.300 -0.015 0.000 0.962 187 R CA -0.278 55.816 56.100 -0.011 0.000 0.882 187 R CB 2.085 32.376 30.300 -0.014 0.000 1.143 187 R HN -0.103 nan 8.270 nan 0.000 0.452 188 S N 0.667 116.348 115.700 -0.032 0.000 2.638 188 S HA 0.587 5.247 4.470 0.317 0.000 0.302 188 S C -0.545 174.027 174.600 -0.046 0.000 1.096 188 S CA -0.793 57.383 58.200 -0.039 0.000 0.953 188 S CB 1.986 65.142 63.200 -0.073 0.000 1.107 188 S HN 0.721 nan 8.310 nan 0.000 0.503 189 A N 1.457 124.256 122.820 -0.035 0.000 2.466 189 A HA 0.342 4.852 4.320 0.317 0.000 0.238 189 A C 0.547 178.108 177.584 -0.039 0.000 1.074 189 A CA -0.130 51.886 52.037 -0.035 0.000 0.774 189 A CB -0.110 18.877 19.000 -0.021 0.000 1.015 189 A HN 0.840 nan 8.150 nan 0.000 0.498 190 R N 1.607 122.088 120.500 -0.030 0.000 2.486 190 R HA -0.047 4.484 4.340 0.317 0.000 0.304 190 R C -0.800 175.497 176.300 -0.006 0.000 0.913 190 R CA 1.011 57.099 56.100 -0.019 0.000 1.124 190 R CB -0.451 29.846 30.300 -0.004 0.000 0.891 190 R HN 0.785 nan 8.270 nan 0.000 0.410 191 D N 1.796 122.182 120.400 -0.024 0.000 2.699 191 D HA -0.187 4.643 4.640 0.317 0.000 0.239 191 D C -0.772 175.518 176.300 -0.017 0.000 1.136 191 D CA 1.714 55.709 54.000 -0.009 0.000 0.668 191 D CB -1.083 39.747 40.800 0.050 0.000 1.060 191 D HN 0.670 nan 8.370 nan 0.000 0.429 192 S N -1.474 114.165 115.700 -0.102 0.000 2.672 192 S HA 0.467 5.128 4.470 0.317 0.000 0.271 192 S C -0.081 174.351 174.600 -0.280 0.000 1.171 192 S CA -0.843 57.310 58.200 -0.079 0.000 0.817 192 S CB 1.849 65.055 63.200 0.010 0.000 1.150 192 S HN 0.130 nan 8.310 nan 0.000 0.478 193 H N -0.253 118.832 119.070 0.024 0.000 2.581 193 H HA 0.334 5.080 4.556 0.317 0.000 0.275 193 H C -0.303 175.034 175.328 0.016 0.000 1.126 193 H CA 0.049 56.108 56.048 0.018 0.000 1.097 193 H CB 0.649 30.420 29.762 0.015 0.000 1.626 193 H HN 0.348 nan 8.280 nan 0.000 0.565 194 V N 5.760 125.720 119.914 0.077 0.000 2.446 194 V HA 0.051 4.362 4.120 0.317 0.000 0.276 194 V C -1.841 174.281 176.094 0.047 0.000 1.030 194 V CA -1.233 61.112 62.300 0.074 0.000 1.033 194 V CB 0.639 32.507 31.823 0.076 0.000 0.993 194 V HN 0.129 nan 8.190 nan 0.000 0.477 195 P HA 0.115 nan 4.420 nan 0.000 0.266 195 P C 0.130 177.434 177.300 0.007 0.000 1.195 195 P CA -0.064 63.042 63.100 0.009 0.000 0.768 195 P CB 0.748 32.436 31.700 -0.020 0.000 0.838 196 I N 2.738 123.303 120.570 -0.008 0.000 2.775 196 I HA -0.046 4.314 4.170 0.317 0.000 0.290 196 I C 0.763 176.871 176.117 -0.015 0.000 1.203 196 I CA 0.449 61.739 61.300 -0.017 0.000 1.433 196 I CB -0.077 37.907 38.000 -0.027 0.000 1.354 196 I HN 0.120 nan 8.210 nan 0.000 0.579 197 L N 6.352 127.569 121.223 -0.010 0.000 2.329 197 L HA 0.545 5.076 4.340 0.317 0.000 0.279 197 L C 0.221 177.105 176.870 0.023 0.000 1.014 197 L CA -0.866 53.971 54.840 -0.005 0.000 0.814 197 L CB 1.662 43.721 42.059 -0.001 0.000 1.257 197 L HN 0.611 nan 8.230 nan 0.000 0.424 198 A N 4.633 127.474 122.820 0.035 0.000 2.395 198 A HA 0.367 4.878 4.320 0.317 0.000 0.286 198 A C -1.481 176.182 177.584 0.131 0.000 1.193 198 A CA -1.100 50.986 52.037 0.082 0.000 0.852 198 A CB -0.107 18.930 19.000 0.061 0.000 1.118 198 A HN 0.601 nan 8.150 nan 0.000 0.524 199 P HA -0.136 nan 4.420 nan 0.000 0.219 199 P C 1.479 179.046 177.300 0.444 0.000 1.150 199 P CA 0.503 63.801 63.100 0.331 0.000 0.814 199 P CB 0.202 32.143 31.700 0.401 0.000 0.787 200 L N 1.090 122.527 121.223 0.357 0.000 1.994 200 L HA 0.007 4.538 4.340 0.317 0.000 0.208 200 L C -0.732 176.219 176.870 0.135 0.000 1.071 200 L CA 2.573 57.454 54.840 0.069 0.000 0.745 200 L CB -2.208 39.732 42.059 -0.199 0.000 0.892 200 L HN -0.023 nan 8.230 nan 0.000 0.431 201 P HA -0.130 nan 4.420 nan 0.000 0.217 201 P C 1.998 179.382 177.300 0.140 0.000 1.150 201 P CA 1.630 64.781 63.100 0.085 0.000 0.832 201 P CB -0.033 31.675 31.700 0.014 0.000 0.787 202 I N -0.614 120.034 120.570 0.131 0.000 2.163 202 I HA -0.157 4.203 4.170 0.317 0.000 0.240 202 I C 2.600 178.817 176.117 0.167 0.000 1.081 202 I CA 1.810 63.182 61.300 0.119 0.000 1.353 202 I CB -1.407 36.645 38.000 0.087 0.000 1.054 202 I HN -0.011 nan 8.210 nan 0.000 0.407 203 G N 0.497 109.435 108.800 0.230 0.000 2.469 203 G HA2 -0.280 3.870 3.960 0.317 0.000 0.219 203 G HA3 -0.280 3.870 3.960 0.317 0.000 0.219 203 G C 1.598 176.619 174.900 0.201 0.000 1.150 203 G CA 0.684 45.927 45.100 0.239 0.000 0.763 203 G HN 0.225 nan 8.290 nan 0.000 0.561 204 F N 1.680 121.703 119.950 0.121 0.000 2.186 204 F HA 0.122 4.687 4.527 0.063 0.000 0.299 204 F C 2.964 178.831 175.800 0.112 0.000 1.090 204 F CA 0.898 58.985 58.000 0.144 0.000 1.307 204 F CB -0.134 38.917 39.000 0.084 0.000 1.019 204 F HN 0.239 nan 8.300 nan 0.000 0.489 205 A N -0.377 122.585 122.820 0.238 0.000 1.908 205 A HA -0.156 4.354 4.320 0.317 0.000 0.218 205 A C 2.345 180.012 177.584 0.137 0.000 1.181 205 A CA 2.009 54.135 52.037 0.148 0.000 0.627 205 A CB -1.241 17.825 19.000 0.109 0.000 0.818 205 A HN 0.165 nan 8.150 nan 0.000 0.445 206 V N -0.848 119.167 119.914 0.169 0.000 2.295 206 V HA -0.237 4.074 4.120 0.317 0.000 0.246 206 V C 2.270 178.530 176.094 0.276 0.000 1.049 206 V CA 2.102 64.542 62.300 0.233 0.000 1.024 206 V CB -1.033 30.925 31.823 0.225 0.000 0.648 206 V HN 0.611 nan 8.190 nan 0.000 0.447 207 F N 0.581 120.482 119.950 -0.081 0.000 2.043 207 F HA -0.267 4.448 4.527 0.314 0.000 0.297 207 F C 2.404 178.098 175.800 -0.175 0.000 1.118 207 F CA 2.009 59.841 58.000 -0.280 0.000 1.202 207 F CB -0.590 37.995 39.000 -0.692 0.000 0.965 207 F HN 0.058 nan 8.300 nan 0.000 0.482 208 M N -0.172 119.264 119.600 -0.274 0.000 2.108 208 M HA -0.159 4.512 4.480 0.317 0.000 0.261 208 M C 2.280 178.483 176.300 -0.162 0.000 1.066 208 M CA 1.312 56.416 55.300 -0.327 0.000 1.107 208 M CB -1.621 30.897 32.600 -0.136 0.000 1.356 208 M HN 0.080 nan 8.290 nan 0.000 0.406 209 V N -0.553 119.338 119.914 -0.038 0.000 2.427 209 V HA -0.252 4.058 4.120 0.317 0.000 0.248 209 V C 2.396 178.419 176.094 -0.118 0.000 1.051 209 V CA 1.438 63.708 62.300 -0.049 0.000 1.048 209 V CB -1.055 30.762 31.823 -0.010 0.000 0.666 209 V HN 0.457 nan 8.190 nan 0.000 0.456 210 H N -0.155 118.846 119.070 -0.115 0.000 2.353 210 H HA -0.095 4.654 4.556 0.321 0.000 0.300 210 H C 2.356 177.594 175.328 -0.150 0.000 1.090 210 H CA 1.739 57.707 56.048 -0.134 0.000 1.327 210 H CB -0.083 29.632 29.762 -0.079 0.000 1.383 210 H HN 0.349 nan 8.280 nan 0.000 0.508 211 L N 0.183 121.347 121.223 -0.100 0.000 2.079 211 L HA -0.178 4.352 4.340 0.317 0.000 0.210 211 L C 2.815 179.611 176.870 -0.124 0.000 1.081 211 L CA 1.068 55.814 54.840 -0.157 0.000 0.752 211 L CB -0.375 41.504 42.059 -0.300 0.000 0.896 211 L HN 0.246 nan 8.230 nan 0.000 0.433 212 A N -1.124 121.619 122.820 -0.128 0.000 1.943 212 A HA -0.037 4.473 4.320 0.317 0.000 0.213 212 A C 2.169 179.678 177.584 -0.125 0.000 1.181 212 A CA 1.499 53.471 52.037 -0.108 0.000 0.653 212 A CB -0.280 18.664 19.000 -0.093 0.000 0.833 212 A HN 0.350 nan 8.150 nan 0.000 0.451 213 T N -0.600 113.852 114.554 -0.170 0.000 2.990 213 T HA 0.225 4.766 4.350 0.317 0.000 0.250 213 T C 1.605 176.160 174.700 -0.242 0.000 1.041 213 T CA 0.143 62.114 62.100 -0.215 0.000 1.010 213 T CB -0.127 68.598 68.868 -0.239 0.000 1.003 213 T HN 0.298 nan 8.240 nan 0.000 0.499 214 I N 2.022 122.463 120.570 -0.214 0.000 2.145 214 I HA -0.175 4.186 4.170 0.317 0.000 0.244 214 I C -0.748 175.278 176.117 -0.152 0.000 1.075 214 I CA 1.638 62.832 61.300 -0.176 0.000 1.332 214 I CB -1.087 36.855 38.000 -0.097 0.000 1.033 214 I HN 0.177 nan 8.210 nan 0.000 0.410 215 P HA -0.106 nan 4.420 nan 0.000 0.222 215 P C 1.590 178.743 177.300 -0.246 0.000 1.147 215 P CA 1.403 64.450 63.100 -0.088 0.000 0.790 215 P CB 0.029 31.725 31.700 -0.007 0.000 0.780 216 I N -1.562 118.738 120.570 -0.451 0.000 2.385 216 I HA -0.069 4.292 4.170 0.317 0.000 0.244 216 I C 1.684 177.548 176.117 -0.421 0.000 1.089 216 I CA 1.917 62.721 61.300 -0.826 0.000 1.410 216 I CB -0.685 36.906 38.000 -0.681 0.000 1.117 216 I HN 0.023 nan 8.210 nan 0.000 0.429 217 T N -3.502 110.908 114.554 -0.240 0.000 3.087 217 T HA 0.409 4.950 4.350 0.317 0.000 0.283 217 T C 1.342 175.931 174.700 -0.186 0.000 0.956 217 T CA 0.371 62.417 62.100 -0.090 0.000 0.894 217 T CB 0.984 69.935 68.868 0.139 0.000 1.160 217 T HN 0.480 nan 8.240 nan 0.000 0.532 218 G N 1.713 110.381 108.800 -0.220 0.000 2.234 218 G HA2 -0.231 3.919 3.960 0.317 0.000 0.260 218 G HA3 -0.231 3.919 3.960 0.317 0.000 0.260 218 G C 0.357 175.026 174.900 -0.384 0.000 0.987 218 G CA 0.214 45.157 45.100 -0.262 0.000 0.625 218 G HN 1.644 nan 8.290 nan 0.000 0.532 219 T N -1.778 112.543 114.554 -0.389 0.000 0.630 219 T HA 0.222 4.762 4.350 0.317 0.000 0.765 219 T C 1.384 175.812 174.700 -0.453 0.000 0.991 219 T CA 1.345 63.143 62.100 -0.504 0.000 4.032 219 T CB -1.296 66.929 68.868 -1.072 0.000 2.278 219 T HN 1.832 nan 8.240 nan 0.000 0.395 220 G N 2.062 110.727 108.800 -0.225 0.000 2.726 220 G HA2 0.488 4.638 3.960 0.317 0.000 0.221 220 G HA3 0.488 4.638 3.960 0.317 0.000 0.221 220 G C 1.356 176.221 174.900 -0.057 0.000 1.327 220 G CA 0.401 45.408 45.100 -0.156 0.000 0.884 220 G HN 2.040 nan 8.290 nan 0.000 0.581 221 I N -1.189 119.393 120.570 0.021 0.000 6.104 221 I HA -0.259 4.101 4.170 0.317 0.000 0.150 221 I C -0.657 175.508 176.117 0.080 0.000 1.789 221 I CA 1.140 62.471 61.300 0.052 0.000 2.209 221 I CB -1.763 36.258 38.000 0.035 0.000 3.373 221 I HN 0.280 nan 8.210 nan 0.000 0.234 222 N N 0.579 119.308 118.700 0.048 0.000 3.321 222 N HA 0.295 5.225 4.740 0.317 0.000 0.217 222 N C -2.091 173.363 175.510 -0.093 0.000 1.405 222 N CA -1.149 51.930 53.050 0.049 0.000 0.799 222 N CB 1.263 39.853 38.487 0.170 0.000 1.619 222 N HN -0.171 nan 8.380 nan 0.000 0.648 223 P HA -0.081 nan 4.420 nan 0.000 0.217 223 P C 1.083 178.045 177.300 -0.563 0.000 1.148 223 P CA 1.517 64.084 63.100 -0.887 0.000 0.828 223 P CB 0.401 31.080 31.700 -1.702 0.000 0.783 224 A N -0.110 122.591 122.820 -0.200 0.000 1.898 224 A HA -0.197 4.313 4.320 0.317 0.000 0.216 224 A C 2.416 180.090 177.584 0.151 0.000 1.181 224 A CA 1.289 53.376 52.037 0.084 0.000 0.620 224 A CB -1.048 18.041 19.000 0.148 0.000 0.819 224 A HN -0.011 nan 8.150 nan 0.000 0.442 225 R N 0.411 120.980 120.500 0.115 0.000 2.081 225 R HA -0.088 4.443 4.340 0.317 0.000 0.235 225 R C 2.088 178.387 176.300 -0.001 0.000 1.131 225 R CA 2.121 58.282 56.100 0.101 0.000 0.960 225 R CB -0.700 29.716 30.300 0.194 0.000 0.856 225 R HN 0.467 nan 8.270 nan 0.000 0.436 226 S N 0.583 116.245 115.700 -0.063 0.000 2.368 226 S HA -0.102 4.558 4.470 0.317 0.000 0.224 226 S C 1.557 176.162 174.600 0.008 0.000 1.029 226 S CA 1.161 59.275 58.200 -0.145 0.000 0.988 226 S CB -0.454 62.624 63.200 -0.204 0.000 0.838 226 S HN 0.362 nan 8.310 nan 0.000 0.462 227 F N 2.662 122.613 119.950 0.002 0.000 2.102 227 F HA -0.004 4.713 4.527 0.316 0.000 0.298 227 F C 2.356 178.223 175.800 0.111 0.000 1.105 227 F CA 1.252 59.358 58.000 0.177 0.000 1.239 227 F CB -1.112 38.128 39.000 0.401 0.000 0.991 227 F HN 0.222 nan 8.300 nan 0.000 0.474 228 G N -0.362 108.511 108.800 0.122 0.000 2.446 228 G HA2 -0.278 3.873 3.960 0.317 0.000 0.217 228 G HA3 -0.278 3.873 3.960 0.317 0.000 0.217 228 G C 1.828 176.682 174.900 -0.076 0.000 1.168 228 G CA 1.018 46.121 45.100 0.004 0.000 0.771 228 G HN 0.618 nan 8.290 nan 0.000 0.551 229 A N 1.049 123.828 122.820 -0.068 0.000 1.898 229 A HA 0.317 4.827 4.320 0.317 0.000 0.216 229 A C 2.827 180.336 177.584 -0.124 0.000 1.181 229 A CA 2.178 54.176 52.037 -0.064 0.000 0.620 229 A CB -0.771 18.167 19.000 -0.104 0.000 0.819 229 A HN 0.809 nan 8.150 nan 0.000 0.442 230 A N -0.438 122.190 122.820 -0.320 0.000 1.902 230 A HA -0.028 4.483 4.320 0.317 0.000 0.217 230 A C 2.234 179.407 177.584 -0.685 0.000 1.181 230 A CA 1.834 53.441 52.037 -0.716 0.000 0.623 230 A CB -1.023 17.285 19.000 -1.152 0.000 0.818 230 A HN 0.387 nan 8.150 nan 0.000 0.443 231 V N 0.540 120.198 119.914 -0.427 0.000 2.287 231 V HA -0.270 4.040 4.120 0.317 0.000 0.248 231 V C 2.431 178.538 176.094 0.020 0.000 1.053 231 V CA 2.012 64.265 62.300 -0.078 0.000 1.027 231 V CB -0.608 31.075 31.823 -0.233 0.000 0.646 231 V HN 0.533 nan 8.190 nan 0.000 0.447 232 I N -1.163 119.411 120.570 0.006 0.000 2.333 232 I HA -0.134 4.227 4.170 0.317 0.000 0.246 232 I C 2.256 178.497 176.117 0.206 0.000 1.106 232 I CA 1.697 63.038 61.300 0.068 0.000 1.411 232 I CB -1.015 36.986 38.000 0.002 0.000 1.082 232 I HN 0.358 nan 8.210 nan 0.000 0.420 233 F N 2.165 122.159 119.950 0.073 0.000 2.293 233 F HA -0.004 4.715 4.527 0.320 0.000 0.297 233 F C 1.043 176.856 175.800 0.022 0.000 1.089 233 F CA 0.467 58.529 58.000 0.103 0.000 1.377 233 F CB -0.206 38.772 39.000 -0.037 0.000 1.051 233 F HN 0.173 nan 8.300 nan 0.000 0.511 234 N N 0.771 119.419 118.700 -0.087 0.000 2.671 234 N HA -0.221 4.709 4.740 0.317 0.000 0.261 234 N C -0.917 174.512 175.510 -0.136 0.000 1.053 234 N CA 0.728 53.770 53.050 -0.012 0.000 0.732 234 N CB -1.083 37.469 38.487 0.108 0.000 0.887 234 N HN 0.491 nan 8.380 nan 0.000 0.546 235 S N -0.474 115.103 115.700 -0.205 0.000 2.568 235 S HA 0.567 5.227 4.470 0.317 0.000 0.302 235 S C 1.189 175.885 174.600 0.161 0.000 1.082 235 S CA -0.780 57.359 58.200 -0.102 0.000 1.009 235 S CB 1.526 64.576 63.200 -0.250 0.000 1.069 235 S HN 0.188 nan 8.310 nan 0.000 0.500 236 N N 2.018 120.825 118.700 0.178 0.000 2.120 236 N HA -0.103 4.827 4.740 0.317 0.000 0.188 236 N C 1.581 177.225 175.510 0.223 0.000 1.024 236 N CA 0.880 54.073 53.050 0.239 0.000 0.852 236 N CB -0.438 38.138 38.487 0.149 0.000 1.003 236 N HN 0.654 nan 8.380 nan 0.000 0.424 237 K N 1.430 121.924 120.400 0.156 0.000 2.034 237 K HA -0.115 4.396 4.320 0.317 0.000 0.214 237 K C 1.863 178.565 176.600 0.169 0.000 1.051 237 K CA 1.129 57.506 56.287 0.151 0.000 0.931 237 K CB -0.357 32.219 32.500 0.126 0.000 0.715 237 K HN -0.019 nan 8.250 nan 0.000 0.446 238 V N -0.555 119.444 119.914 0.142 0.000 2.379 238 V HA -0.216 4.094 4.120 0.317 0.000 0.245 238 V C 2.090 178.263 176.094 0.132 0.000 1.044 238 V CA 1.778 64.127 62.300 0.081 0.000 1.036 238 V CB -0.569 31.253 31.823 -0.003 0.000 0.664 238 V HN 0.418 nan 8.190 nan 0.000 0.453 239 W N 0.209 121.615 121.300 0.177 0.000 2.374 239 W HA -0.155 4.696 4.660 0.319 0.000 0.288 239 W C 2.230 178.879 176.519 0.217 0.000 1.218 239 W CA 0.837 58.296 57.345 0.189 0.000 1.245 239 W CB -0.164 29.380 29.460 0.139 0.000 1.126 239 W HN 0.273 nan 8.180 nan 0.000 0.545 240 D N -0.405 120.250 120.400 0.426 0.000 2.178 240 D HA -0.133 4.698 4.640 0.317 0.000 0.202 240 D C 1.239 177.779 176.300 0.399 0.000 0.974 240 D CA 1.287 55.504 54.000 0.363 0.000 0.841 240 D CB -0.345 40.614 40.800 0.266 0.000 0.953 240 D HN 0.103 nan 8.370 nan 0.000 0.478 241 D N -0.421 120.165 120.400 0.310 0.000 2.339 241 D HA -0.041 4.789 4.640 0.317 0.000 0.217 241 D C 1.777 178.128 176.300 0.084 0.000 1.050 241 D CA 0.134 54.230 54.000 0.160 0.000 0.856 241 D CB 0.243 41.170 40.800 0.211 0.000 0.922 241 D HN 0.134 nan 8.370 nan 0.000 0.518 242 Q N 0.501 120.509 119.800 0.347 0.000 2.224 242 Q HA -0.110 4.421 4.340 0.317 0.000 0.203 242 Q C 1.978 178.237 176.000 0.432 0.000 0.970 242 Q CA 1.064 57.166 55.803 0.498 0.000 0.865 242 Q CB -0.303 28.815 28.738 0.634 0.000 0.922 242 Q HN 0.497 nan 8.270 nan 0.000 0.445 243 W N -0.009 121.460 121.300 0.281 0.000 2.374 243 W HA -0.112 4.740 4.660 0.320 0.000 0.288 243 W C 1.193 177.754 176.519 0.070 0.000 1.218 243 W CA 0.527 57.981 57.345 0.180 0.000 1.245 243 W CB -0.846 28.662 29.460 0.079 0.000 1.126 243 W HN 0.135 nan 8.180 nan 0.000 0.545 244 I N 0.559 120.393 120.570 -1.227 0.000 2.248 244 I HA -0.315 4.045 4.170 0.317 0.000 0.248 244 I C 1.933 177.557 176.117 -0.822 0.000 1.107 244 I CA 1.772 62.231 61.300 -1.401 0.000 1.373 244 I CB -0.765 36.152 38.000 -1.805 0.000 1.055 244 I HN -0.201 nan 8.210 nan 0.000 0.418 245 F N -1.556 118.281 119.950 -0.188 0.000 2.797 245 F HA 0.025 4.743 4.527 0.317 0.000 0.302 245 F C 1.481 177.120 175.800 -0.268 0.000 1.130 245 F CA 0.114 58.005 58.000 -0.182 0.000 1.387 245 F CB -0.460 38.437 39.000 -0.173 0.000 1.107 245 F HN 0.066 nan 8.300 nan 0.000 0.577 246 W N -1.858 119.408 121.300 -0.057 0.000 3.033 246 W HA 0.144 4.997 4.660 0.321 0.000 0.250 246 W C 2.100 178.474 176.519 -0.242 0.000 1.105 246 W CA 0.487 57.694 57.345 -0.231 0.000 1.655 246 W CB -0.671 28.633 29.460 -0.260 0.000 1.001 246 W HN -0.395 nan 8.180 nan 0.000 0.653 247 V N 0.724 120.735 119.914 0.161 0.000 2.270 247 V HA -0.171 4.139 4.120 0.317 0.000 0.245 247 V C 2.331 178.521 176.094 0.160 0.000 1.043 247 V CA 2.303 64.715 62.300 0.186 0.000 1.014 247 V CB -1.521 30.505 31.823 0.339 0.000 0.645 247 V HN 0.315 nan 8.190 nan 0.000 0.447 248 G N 0.780 109.603 108.800 0.037 0.000 2.545 248 G HA2 -0.229 3.921 3.960 0.317 0.000 0.217 248 G HA3 -0.229 3.921 3.960 0.317 0.000 0.217 248 G C -0.236 174.747 174.900 0.138 0.000 1.218 248 G CA 1.386 46.504 45.100 0.030 0.000 0.787 248 G HN 0.512 nan 8.290 nan 0.000 0.571 249 P HA -0.038 nan 4.420 nan 0.000 0.217 249 P C 1.481 179.055 177.300 0.457 0.000 1.150 249 P CA 0.698 63.950 63.100 0.254 0.000 0.832 249 P CB -0.080 31.739 31.700 0.197 0.000 0.787 250 F N -0.830 119.226 119.950 0.177 0.000 2.146 250 F HA -0.089 4.628 4.527 0.316 0.000 0.298 250 F C 2.269 178.312 175.800 0.406 0.000 1.096 250 F CA 0.560 58.730 58.000 0.284 0.000 1.275 250 F CB -1.382 37.617 39.000 -0.002 0.000 1.008 250 F HN -0.148 nan 8.300 nan 0.000 0.480 251 I N -0.530 120.313 120.570 0.454 0.000 2.179 251 I HA -0.229 4.132 4.170 0.317 0.000 0.242 251 I C 2.769 179.063 176.117 0.295 0.000 1.088 251 I CA 1.528 63.028 61.300 0.333 0.000 1.357 251 I CB -1.219 36.923 38.000 0.237 0.000 1.051 251 I HN 0.157 nan 8.210 nan 0.000 0.409 252 G N 0.525 109.493 108.800 0.279 0.000 2.440 252 G HA2 -0.278 3.873 3.960 0.317 0.000 0.218 252 G HA3 -0.278 3.873 3.960 0.317 0.000 0.218 252 G C 1.846 176.923 174.900 0.295 0.000 1.154 252 G CA 0.938 46.215 45.100 0.295 0.000 0.767 252 G HN 0.505 nan 8.290 nan 0.000 0.552 253 A N 1.093 124.078 122.820 0.274 0.000 1.898 253 A HA 0.299 4.810 4.320 0.317 0.000 0.216 253 A C 2.828 180.493 177.584 0.136 0.000 1.181 253 A CA 2.233 54.395 52.037 0.209 0.000 0.620 253 A CB -0.787 18.359 19.000 0.243 0.000 0.819 253 A HN 0.806 nan 8.150 nan 0.000 0.442 254 A N -0.592 122.330 122.820 0.169 0.000 1.902 254 A HA 0.008 4.518 4.320 0.317 0.000 0.217 254 A C 2.214 179.859 177.584 0.102 0.000 1.181 254 A CA 1.797 53.876 52.037 0.070 0.000 0.623 254 A CB -0.859 18.250 19.000 0.182 0.000 0.818 254 A HN 0.387 nan 8.150 nan 0.000 0.443 255 V N -0.211 119.824 119.914 0.201 0.000 2.358 255 V HA -0.199 4.111 4.120 0.317 0.000 0.246 255 V C 3.035 179.337 176.094 0.347 0.000 1.047 255 V CA 1.736 64.195 62.300 0.264 0.000 1.035 255 V CB -1.207 30.774 31.823 0.262 0.000 0.658 255 V HN 0.610 nan 8.190 nan 0.000 0.452 256 A N 0.271 123.221 122.820 0.217 0.000 1.883 256 A HA -0.169 4.341 4.320 0.317 0.000 0.217 256 A C 2.465 179.908 177.584 -0.234 0.000 1.186 256 A CA 2.263 54.190 52.037 -0.183 0.000 0.624 256 A CB -0.907 17.883 19.000 -0.350 0.000 0.822 256 A HN 0.566 nan 8.150 nan 0.000 0.444 257 A N -0.151 122.478 122.820 -0.318 0.000 1.883 257 A HA 0.073 4.583 4.320 0.317 0.000 0.217 257 A C 2.542 179.862 177.584 -0.440 0.000 1.186 257 A CA 2.533 54.172 52.037 -0.663 0.000 0.624 257 A CB -1.142 17.664 19.000 -0.323 0.000 0.822 257 A HN 1.155 nan 8.150 nan 0.000 0.444 258 A N -1.790 120.939 122.820 -0.151 0.000 1.898 258 A HA -0.067 4.443 4.320 0.317 0.000 0.216 258 A C 2.156 179.768 177.584 0.047 0.000 1.181 258 A CA 1.697 53.726 52.037 -0.013 0.000 0.620 258 A CB -0.793 18.304 19.000 0.161 0.000 0.819 258 A HN 0.750 nan 8.150 nan 0.000 0.442 259 Y N -0.105 120.175 120.300 -0.033 0.000 2.114 259 Y HA -0.257 4.482 4.550 0.316 0.000 0.284 259 Y C 2.476 178.334 175.900 -0.069 0.000 1.143 259 Y CA 2.269 60.366 58.100 -0.005 0.000 1.135 259 Y CB -0.683 37.832 38.460 0.092 0.000 0.980 259 Y HN 0.580 nan 8.280 nan 0.000 0.499 260 H N -0.379 118.486 119.070 -0.341 0.000 2.326 260 H HA -0.122 4.625 4.556 0.318 0.000 0.301 260 H C 1.759 176.865 175.328 -0.370 0.000 1.081 260 H CA 1.980 57.787 56.048 -0.401 0.000 1.334 260 H CB 0.256 29.772 29.762 -0.410 0.000 1.385 260 H HN 0.416 nan 8.280 nan 0.000 0.504 261 Q N -0.468 119.106 119.800 -0.377 0.000 2.123 261 Q HA -0.080 4.450 4.340 0.317 0.000 0.196 261 Q C 1.878 177.676 176.000 -0.337 0.000 0.958 261 Q CA 0.951 56.502 55.803 -0.420 0.000 0.841 261 Q CB -0.088 28.297 28.738 -0.588 0.000 0.915 261 Q HN 0.554 nan 8.270 nan 0.000 0.455 262 Y N -0.583 119.624 120.300 -0.155 0.000 2.422 262 Y HA -0.007 4.734 4.550 0.318 0.000 0.291 262 Y C 2.241 178.065 175.900 -0.126 0.000 1.144 262 Y CA 0.304 58.336 58.100 -0.113 0.000 1.208 262 Y CB -0.708 37.711 38.460 -0.069 0.000 1.195 262 Y HN -0.033 nan 8.280 nan 0.000 0.535 263 V N 0.011 119.930 119.914 0.008 0.000 2.346 263 V HA -0.120 4.190 4.120 0.317 0.000 0.244 263 V C 1.670 177.653 176.094 -0.185 0.000 1.037 263 V CA 1.692 63.956 62.300 -0.060 0.000 1.029 263 V CB -0.467 31.381 31.823 0.041 0.000 0.663 263 V HN 0.374 nan 8.190 nan 0.000 0.454 264 L N -0.732 120.265 121.223 -0.376 0.000 2.270 264 L HA 0.234 4.765 4.340 0.317 0.000 0.210 264 L C 1.838 178.550 176.870 -0.264 0.000 1.104 264 L CA 0.740 55.369 54.840 -0.352 0.000 0.804 264 L CB -0.429 41.336 42.059 -0.489 0.000 0.937 264 L HN 0.313 nan 8.230 nan 0.000 0.450 265 R N 0.982 121.316 120.500 -0.278 0.000 3.266 265 R HA -0.213 4.318 4.340 0.317 0.000 0.245 265 R C 0.112 176.299 176.300 -0.188 0.000 0.941 265 R CA 0.406 56.383 56.100 -0.204 0.000 0.638 265 R CB -1.324 28.919 30.300 -0.095 0.000 1.019 265 R HN 0.464 nan 8.270 nan 0.000 0.462 266 A N -1.909 120.762 122.820 -0.248 0.000 1.478 266 A HA 0.167 4.678 4.320 0.317 0.000 0.209 266 A C 0.370 177.756 177.584 -0.330 0.000 1.187 266 A CA 1.009 52.766 52.037 -0.466 0.000 0.583 266 A CB -1.355 17.096 19.000 -0.914 0.000 1.272 266 A HN 1.656 nan 8.150 nan 0.000 0.177 267 A N 0.000 122.767 122.820 -0.088 0.000 2.254 267 A HA 0.000 4.510 4.320 0.317 0.000 0.244 267 A CA 0.000 52.082 52.037 0.075 0.000 0.836 267 A CB 0.000 19.008 19.000 0.013 0.000 0.831 267 A HN 0.000 nan 8.150 nan 0.000 0.486