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 1z1c_1_A DATA FIRST_RESID 39 DATA SEQUENCE GVGVSTGSYD NQTHYRFLGD GWVEITALAT RLVHLNMPKS ENYCRIRVHN DATA SEQUENCE TTDTSVKGNM AKDDAHEQIW TPWSLVDANA WGVWLQPSDW QYICNTMSQL DATA SEQUENCE NLVSLDQEIF NVVLKTVTEQ DSGGQAIKIY NNDLTACMMV AVDSNNILPY DATA SEQUENCE TPAANSMETL GFYPWKPTIA SPYRYYFCVD RDLSVTYENQ EGTIEHNVMG DATA SEQUENCE TPKGMNSQFF TIENTQQITL LRTGDEFATG TYYFDTNPVK LTHTWQTNRQ DATA SEQUENCE LGQPPLLSTF PEADTDAGTL TAQGSRHGAT QMEVNWVSEA IRTRPAQVGF DATA SEQUENCE CQPHNDFEAS RAGPFAAPKV PADVTQGMDR EANGSVRYSY GKQHGENWAA DATA SEQUENCE HGPAPERYTW DETNFGSGRD TRDGFIQSAP LVVPPPLNGI LTNANPIGTK DATA SEQUENCE NDIHFSNVFN SYGPLTTFSH PSPVYPQGQI WDKELDLEHK PRLHITAPFV DATA SEQUENCE CKNNAPGQML VRLGPNLTDQ YDPNGATLSR IVTYGTFFWK GKLTMRAKLR DATA SEQUENCE ANTTWNPVYQ VSVEDNGNSY MSVTKWLPTA TGNMQSVPLI TRPVARNTY 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 39 G HA2 0.000 nan 3.960 nan 0.000 0.244 39 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 39 G C 0.000 174.913 174.900 0.021 0.000 0.946 39 G CA 0.000 45.110 45.100 0.017 0.000 0.502 40 V N -0.823 119.105 119.914 0.023 0.000 3.156 40 V HA 0.833 4.952 4.120 -0.001 0.000 0.311 40 V C 1.090 177.201 176.094 0.029 0.000 1.208 40 V CA 0.612 62.929 62.300 0.029 0.000 1.063 40 V CB 1.817 33.658 31.823 0.030 0.000 1.098 40 V HN 1.577 nan 8.190 nan 0.000 0.452 41 G N 1.511 110.332 108.800 0.035 0.000 2.138 41 G HA2 -0.104 3.855 3.960 -0.001 0.000 0.193 41 G HA3 -0.104 3.855 3.960 -0.001 0.000 0.193 41 G C -0.526 174.394 174.900 0.034 0.000 0.998 41 G CA 0.065 45.185 45.100 0.034 0.000 0.668 41 G HN 1.252 nan 8.290 nan 0.000 0.516 42 V N 0.975 120.912 119.914 0.038 0.000 2.524 42 V HA 0.608 4.728 4.120 -0.001 0.000 0.297 42 V C 0.805 176.928 176.094 0.048 0.000 1.035 42 V CA -0.462 61.859 62.300 0.035 0.000 0.867 42 V CB 1.527 33.364 31.823 0.024 0.000 1.004 42 V HN 0.397 nan 8.190 nan 0.000 0.426 43 S N 2.677 118.406 115.700 0.048 0.000 2.550 43 S HA 0.086 4.555 4.470 -0.001 0.000 0.285 43 S C 1.251 175.892 174.600 0.067 0.000 1.326 43 S CA 0.679 58.921 58.200 0.070 0.000 1.037 43 S CB 0.646 63.872 63.200 0.044 0.000 0.838 43 S HN 1.084 nan 8.310 nan 0.000 0.519 44 T N -1.742 112.892 114.554 0.133 0.000 3.040 44 T HA 0.524 4.873 4.350 -0.001 0.000 0.266 44 T C 0.530 175.174 174.700 -0.093 0.000 1.005 44 T CA 0.119 62.269 62.100 0.084 0.000 0.906 44 T CB 0.324 69.295 68.868 0.172 0.000 1.082 44 T HN 0.757 nan 8.240 nan 0.000 0.531 45 G N 0.919 109.587 108.800 -0.220 0.000 2.753 45 G HA2 0.613 4.572 3.960 -0.001 0.000 0.303 45 G HA3 0.613 4.572 3.960 -0.001 0.000 0.303 45 G C -1.653 172.924 174.900 -0.539 0.000 1.242 45 G CA -0.365 44.084 45.100 -1.083 0.000 0.810 45 G HN 0.800 nan 8.290 nan 0.000 0.515 46 S N -1.444 113.918 115.700 -0.564 0.000 2.543 46 S HA 0.506 4.975 4.470 -0.001 0.000 0.273 46 S C -1.548 173.106 174.600 0.089 0.000 1.152 46 S CA -0.645 57.495 58.200 -0.100 0.000 0.910 46 S CB 1.613 64.745 63.200 -0.113 0.000 1.105 46 S HN 0.940 nan 8.310 nan 0.000 0.465 47 Y N 2.169 122.488 120.300 0.031 0.000 2.442 47 Y HA 0.496 5.045 4.550 -0.001 0.000 0.330 47 Y C -0.296 175.651 175.900 0.078 0.000 1.129 47 Y CA 0.824 58.978 58.100 0.091 0.000 1.365 47 Y CB 0.672 39.184 38.460 0.085 0.000 1.233 47 Y HN 0.870 nan 8.280 nan 0.000 0.529 48 D N 5.003 125.354 120.400 -0.081 0.000 2.419 48 D HA 0.077 4.716 4.640 -0.001 0.000 0.219 48 D C -1.670 174.552 176.300 -0.130 0.000 1.349 48 D CA -0.389 53.617 54.000 0.010 0.000 0.964 48 D CB 0.472 41.285 40.800 0.021 0.000 1.463 48 D HN 0.675 nan 8.370 nan 0.000 0.573 49 N N 3.656 122.345 118.700 -0.018 0.000 2.735 49 N HA 0.154 4.893 4.740 -0.001 0.000 0.312 49 N C -0.596 174.961 175.510 0.079 0.000 1.843 49 N CA -0.073 52.980 53.050 0.005 0.000 0.945 49 N CB 0.791 39.319 38.487 0.069 0.000 1.299 49 N HN 0.480 nan 8.380 nan 0.000 0.489 50 Q N -0.530 119.277 119.800 0.012 0.000 2.207 50 Q HA 0.492 4.831 4.340 -0.001 0.000 0.237 50 Q C -0.654 175.242 176.000 -0.172 0.000 0.998 50 Q CA -0.435 55.350 55.803 -0.030 0.000 0.951 50 Q CB 1.655 30.390 28.738 -0.005 0.000 1.213 50 Q HN 0.078 nan 8.270 nan 0.000 0.499 51 T N 0.993 115.417 114.554 -0.217 0.000 3.143 51 T HA 0.334 4.683 4.350 -0.001 0.000 0.312 51 T C -1.590 172.923 174.700 -0.311 0.000 0.986 51 T CA -0.676 61.240 62.100 -0.306 0.000 1.024 51 T CB 0.453 69.225 68.868 -0.160 0.000 1.030 51 T HN 0.442 nan 8.240 nan 0.000 0.448 52 H N 1.397 120.293 119.070 -0.290 0.000 2.469 52 H HA 0.442 4.997 4.556 -0.001 0.000 0.342 52 H C -1.104 173.950 175.328 -0.457 0.000 1.115 52 H CA -0.905 54.986 56.048 -0.262 0.000 1.204 52 H CB 1.418 31.107 29.762 -0.121 0.000 1.492 52 H HN 0.507 nan 8.280 nan 0.000 0.499 53 Y N 1.953 122.230 120.300 -0.038 0.000 2.491 53 Y HA 0.223 4.772 4.550 -0.001 0.000 0.334 53 Y C 0.402 176.074 175.900 -0.380 0.000 0.969 53 Y CA -0.593 57.330 58.100 -0.296 0.000 1.241 53 Y CB 0.635 38.872 38.460 -0.372 0.000 1.105 53 Y HN 0.387 nan 8.280 nan 0.000 0.503 54 R N 3.467 123.830 120.500 -0.228 0.000 2.221 54 R HA 0.408 4.747 4.340 -0.001 0.000 0.327 54 R C -1.471 174.674 176.300 -0.258 0.000 1.033 54 R CA -0.497 55.516 56.100 -0.144 0.000 0.887 54 R CB 0.433 30.700 30.300 -0.055 0.000 1.057 54 R HN 0.428 nan 8.270 nan 0.000 0.455 55 F N 5.099 125.109 119.950 0.101 0.000 2.408 55 F HA 0.347 4.873 4.527 -0.001 0.000 0.344 55 F C -0.223 175.629 175.800 0.088 0.000 1.112 55 F CA -0.511 57.550 58.000 0.101 0.000 1.096 55 F CB 1.044 40.094 39.000 0.084 0.000 1.129 55 F HN 0.242 nan 8.300 nan 0.000 0.486 56 L N 1.371 122.763 121.223 0.282 0.000 2.257 56 L HA 0.782 5.122 4.340 -0.001 0.000 0.257 56 L C 0.680 177.692 176.870 0.236 0.000 1.033 56 L CA -0.978 53.987 54.840 0.209 0.000 0.835 56 L CB 0.557 42.712 42.059 0.161 0.000 1.398 56 L HN 0.624 nan 8.230 nan 0.000 0.429 57 G N -1.292 107.621 108.800 0.188 0.000 2.744 57 G HA2 0.275 4.234 3.960 -0.001 0.000 0.257 57 G HA3 0.275 4.234 3.960 -0.001 0.000 0.257 57 G C -0.319 174.745 174.900 0.273 0.000 1.244 57 G CA -0.070 45.139 45.100 0.182 0.000 0.916 57 G HN 0.827 nan 8.290 nan 0.000 0.564 58 D N -1.517 118.997 120.400 0.191 0.000 2.860 58 D HA -0.169 4.470 4.640 -0.001 0.000 0.229 58 D C 1.515 177.833 176.300 0.030 0.000 1.169 58 D CA 2.435 56.533 54.000 0.162 0.000 0.737 58 D CB -1.439 39.564 40.800 0.338 0.000 1.080 58 D HN 1.669 nan 8.370 nan 0.000 0.424 59 G N -1.617 107.227 108.800 0.073 0.000 2.283 59 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.280 59 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.280 59 G C 0.147 175.035 174.900 -0.020 0.000 1.029 59 G CA 0.400 45.516 45.100 0.028 0.000 0.840 59 G HN 0.418 nan 8.290 nan 0.000 0.505 60 W N -1.534 119.814 121.300 0.081 0.000 2.283 60 W HA 0.595 5.254 4.660 -0.001 0.000 0.341 60 W C 0.349 176.899 176.519 0.052 0.000 1.206 60 W CA -0.651 56.725 57.345 0.051 0.000 1.294 60 W CB 1.364 30.837 29.460 0.021 0.000 1.154 60 W HN 0.190 nan 8.180 nan 0.000 0.613 61 V N 1.122 121.199 119.914 0.273 0.000 2.888 61 V HA 0.236 4.355 4.120 -0.001 0.000 0.309 61 V C -0.820 175.298 176.094 0.041 0.000 1.114 61 V CA -1.381 60.961 62.300 0.071 0.000 0.940 61 V CB 1.859 33.654 31.823 -0.046 0.000 1.021 61 V HN 0.512 nan 8.190 nan 0.000 0.426 62 E N 3.073 123.244 120.200 -0.048 0.000 2.121 62 E HA 0.477 4.826 4.350 -0.001 0.000 0.255 62 E C -1.289 175.242 176.600 -0.116 0.000 0.906 62 E CA -0.628 55.737 56.400 -0.058 0.000 0.745 62 E CB 0.901 30.570 29.700 -0.052 0.000 1.155 62 E HN 0.553 nan 8.360 nan 0.000 0.424 63 I N 2.765 123.264 120.570 -0.118 0.000 2.519 63 I HA 0.138 4.307 4.170 -0.001 0.000 0.287 63 I C 0.217 176.219 176.117 -0.192 0.000 1.047 63 I CA 0.131 61.300 61.300 -0.219 0.000 1.381 63 I CB 1.762 39.653 38.000 -0.183 0.000 1.417 63 I HN 0.276 nan 8.210 nan 0.000 0.540 64 T N 5.335 119.743 114.554 -0.244 0.000 2.864 64 T HA 0.678 5.027 4.350 -0.001 0.000 0.299 64 T C -0.311 174.266 174.700 -0.205 0.000 1.011 64 T CA -0.661 61.329 62.100 -0.184 0.000 0.975 64 T CB 1.206 69.998 68.868 -0.128 0.000 0.962 64 T HN 0.673 nan 8.240 nan 0.000 0.448 65 A N 4.230 126.983 122.820 -0.112 0.000 2.289 65 A HA 0.732 5.052 4.320 -0.001 0.000 0.298 65 A C -0.240 177.436 177.584 0.154 0.000 1.208 65 A CA -0.561 51.502 52.037 0.043 0.000 0.845 65 A CB 0.162 19.264 19.000 0.170 0.000 1.125 65 A HN 0.876 nan 8.150 nan 0.000 0.517 66 L N 2.692 123.972 121.223 0.095 0.000 2.298 66 L HA 0.617 4.956 4.340 -0.001 0.000 0.284 66 L C 0.218 177.134 176.870 0.077 0.000 1.013 66 L CA -0.341 54.536 54.840 0.062 0.000 0.824 66 L CB 1.665 43.675 42.059 -0.082 0.000 1.221 66 L HN 0.788 nan 8.230 nan 0.000 0.418 67 A N 2.618 125.467 122.820 0.047 0.000 2.319 67 A HA 0.817 5.137 4.320 -0.001 0.000 0.310 67 A C -0.443 177.034 177.584 -0.179 0.000 1.152 67 A CA -0.388 51.608 52.037 -0.069 0.000 0.783 67 A CB 1.305 20.189 19.000 -0.194 0.000 1.184 67 A HN 0.564 nan 8.150 nan 0.000 0.474 68 T N 1.709 116.150 114.554 -0.189 0.000 2.861 68 T HA 0.750 5.100 4.350 -0.001 0.000 0.287 68 T C -0.377 174.326 174.700 0.004 0.000 1.003 68 T CA -0.422 61.541 62.100 -0.228 0.000 0.977 68 T CB 1.450 69.859 68.868 -0.764 0.000 0.996 68 T HN 0.733 nan 8.240 nan 0.000 0.448 69 R N 1.453 122.110 120.500 0.261 0.000 2.604 69 R HA 0.562 4.902 4.340 -0.001 0.000 0.270 69 R C -1.942 174.405 176.300 0.078 0.000 1.052 69 R CA -0.865 55.373 56.100 0.230 0.000 0.902 69 R CB 1.251 31.657 30.300 0.178 0.000 1.233 69 R HN 0.448 nan 8.270 nan 0.000 0.455 70 L N 4.593 125.761 121.223 -0.092 0.000 2.260 70 L HA 0.493 4.833 4.340 -0.001 0.000 0.289 70 L C -1.290 175.322 176.870 -0.431 0.000 1.057 70 L CA -0.141 54.410 54.840 -0.483 0.000 0.811 70 L CB 1.374 43.140 42.059 -0.488 0.000 1.184 70 L HN 0.380 nan 8.230 nan 0.000 0.429 71 V N 5.313 124.822 119.914 -0.674 0.000 2.547 71 V HA 0.423 4.543 4.120 -0.001 0.000 0.299 71 V C -0.205 175.527 176.094 -0.604 0.000 1.040 71 V CA -0.754 61.138 62.300 -0.681 0.000 0.913 71 V CB 1.335 32.545 31.823 -1.021 0.000 0.992 71 V HN 0.806 nan 8.190 nan 0.000 0.449 72 H N 4.721 123.558 119.070 -0.388 0.000 2.533 72 H HA 0.806 5.361 4.556 -0.001 0.000 0.343 72 H C -1.705 173.552 175.328 -0.118 0.000 1.160 72 H CA -0.906 55.012 56.048 -0.218 0.000 1.218 72 H CB 2.031 31.720 29.762 -0.121 0.000 1.566 72 H HN 0.511 nan 8.280 nan 0.000 0.522 73 L N 3.978 124.986 121.223 -0.358 0.000 2.565 73 L HA 0.328 4.667 4.340 -0.001 0.000 0.261 73 L C -1.933 174.884 176.870 -0.089 0.000 0.932 73 L CA -0.488 54.316 54.840 -0.059 0.000 0.878 73 L CB 1.718 43.795 42.059 0.030 0.000 1.333 73 L HN 0.836 nan 8.230 nan 0.000 0.409 74 N N 3.966 122.718 118.700 0.086 0.000 2.381 74 N HA 0.672 5.411 4.740 -0.001 0.000 0.294 74 N C -0.834 174.718 175.510 0.070 0.000 1.216 74 N CA -0.969 52.151 53.050 0.117 0.000 0.803 74 N CB 0.749 39.350 38.487 0.192 0.000 1.372 74 N HN 0.629 nan 8.380 nan 0.000 0.500 75 M N 0.167 119.803 119.600 0.060 0.000 2.255 75 M HA 0.087 4.566 4.480 -0.001 0.000 0.356 75 M C -2.036 174.287 176.300 0.039 0.000 1.338 75 M CA -0.533 54.783 55.300 0.026 0.000 0.962 75 M CB -0.532 32.084 32.600 0.027 0.000 1.877 75 M HN 0.255 nan 8.290 nan 0.000 0.463 76 P HA 0.095 nan 4.420 nan 0.000 0.276 76 P C -0.099 177.249 177.300 0.079 0.000 1.253 76 P CA -0.141 63.007 63.100 0.081 0.000 0.766 76 P CB 0.725 32.440 31.700 0.024 0.000 0.845 77 K N 1.517 121.969 120.400 0.087 0.000 2.020 77 K HA -0.082 4.237 4.320 -0.001 0.000 0.212 77 K C 0.789 177.398 176.600 0.016 0.000 1.050 77 K CA 1.306 57.607 56.287 0.023 0.000 0.929 77 K CB -1.063 31.417 32.500 -0.032 0.000 0.714 77 K HN 0.576 nan 8.250 nan 0.000 0.443 78 S N 1.492 117.210 115.700 0.031 0.000 2.505 78 S HA 0.131 4.600 4.470 -0.001 0.000 0.276 78 S C 0.839 175.489 174.600 0.084 0.000 1.274 78 S CA -0.563 57.658 58.200 0.035 0.000 1.053 78 S CB 1.490 64.704 63.200 0.022 0.000 0.919 78 S HN 0.053 nan 8.310 nan 0.000 0.490 79 E N 2.391 122.631 120.200 0.067 0.000 2.358 79 E HA 0.014 4.364 4.350 -0.001 0.000 0.195 79 E C 0.044 176.708 176.600 0.106 0.000 1.010 79 E CA 0.606 57.048 56.400 0.070 0.000 0.856 79 E CB -0.091 29.654 29.700 0.075 0.000 0.795 79 E HN 0.895 nan 8.360 nan 0.000 0.504 80 N N -1.679 117.107 118.700 0.143 0.000 3.100 80 N HA 0.188 4.927 4.740 -0.001 0.000 0.344 80 N C -0.937 174.722 175.510 0.249 0.000 1.413 80 N CA -0.632 52.563 53.050 0.242 0.000 0.752 80 N CB -0.140 38.502 38.487 0.259 0.000 1.519 80 N HN -0.209 nan 8.380 nan 0.000 0.620 81 Y N -0.787 119.660 120.300 0.245 0.000 2.320 81 Y HA 0.480 5.029 4.550 -0.001 0.000 0.334 81 Y C -0.217 175.776 175.900 0.154 0.000 1.055 81 Y CA -0.871 57.395 58.100 0.276 0.000 1.143 81 Y CB 0.997 39.684 38.460 0.377 0.000 1.193 81 Y HN 0.366 nan 8.280 nan 0.000 0.477 82 C N 4.365 123.844 119.300 0.298 0.000 2.369 82 C HA 0.438 4.897 4.460 -0.001 0.000 0.322 82 C C 0.184 175.220 174.990 0.078 0.000 1.258 82 C CA -1.273 57.828 59.018 0.138 0.000 1.487 82 C CB 0.943 28.732 27.740 0.081 0.000 2.165 82 C HN 0.748 nan 8.230 nan 0.000 0.483 83 R N 3.739 124.226 120.500 -0.021 0.000 2.287 83 R HA 0.536 4.875 4.340 -0.001 0.000 0.327 83 R C -0.839 175.463 176.300 0.004 0.000 1.109 83 R CA 0.001 56.074 56.100 -0.045 0.000 1.013 83 R CB 0.012 30.245 30.300 -0.112 0.000 1.126 83 R HN 0.766 nan 8.270 nan 0.000 0.503 84 I N 2.905 123.490 120.570 0.025 0.000 2.577 84 I HA 0.426 4.595 4.170 -0.001 0.000 0.305 84 I C 0.441 176.556 176.117 -0.004 0.000 0.986 84 I CA -0.931 60.372 61.300 0.005 0.000 1.189 84 I CB 1.803 39.801 38.000 -0.004 0.000 1.355 84 I HN 0.368 nan 8.210 nan 0.000 0.476 85 R N 2.845 123.322 120.500 -0.038 0.000 2.778 85 R HA 0.798 5.137 4.340 -0.001 0.000 0.277 85 R C -1.816 174.405 176.300 -0.132 0.000 0.977 85 R CA -0.583 55.466 56.100 -0.084 0.000 0.950 85 R CB 2.091 32.366 30.300 -0.042 0.000 1.165 85 R HN 0.421 nan 8.270 nan 0.000 0.474 86 V N 3.628 123.395 119.914 -0.246 0.000 2.532 86 V HA 0.304 4.424 4.120 -0.001 0.000 0.294 86 V C -1.308 174.716 176.094 -0.117 0.000 1.036 86 V CA -0.710 61.469 62.300 -0.202 0.000 0.876 86 V CB 1.395 33.023 31.823 -0.324 0.000 1.012 86 V HN 0.688 nan 8.190 nan 0.000 0.432 87 H N 5.417 124.440 119.070 -0.078 0.000 2.658 87 H HA 0.469 5.024 4.556 -0.001 0.000 0.337 87 H C -0.250 175.067 175.328 -0.017 0.000 1.009 87 H CA -0.928 55.097 56.048 -0.038 0.000 1.231 87 H CB 1.838 31.580 29.762 -0.032 0.000 1.508 87 H HN 0.692 nan 8.280 nan 0.000 0.517 88 N N 2.950 121.832 118.700 0.303 0.000 3.131 88 N HA -0.033 4.706 4.740 -0.001 0.000 0.312 88 N C 0.917 176.485 175.510 0.096 0.000 1.433 88 N CA 0.066 53.200 53.050 0.141 0.000 1.141 88 N CB 0.043 38.595 38.487 0.107 0.000 1.431 88 N HN 0.629 nan 8.380 nan 0.000 0.523 89 T N -2.578 111.961 114.554 -0.025 0.000 2.778 89 T HA -0.242 4.107 4.350 -0.001 0.000 0.269 89 T C 1.496 176.168 174.700 -0.047 0.000 1.050 89 T CA 1.791 63.816 62.100 -0.125 0.000 1.137 89 T CB -0.945 67.773 68.868 -0.249 0.000 0.860 89 T HN 0.262 nan 8.240 nan 0.000 0.468 90 T N 1.397 115.934 114.554 -0.028 0.000 2.869 90 T HA -0.107 4.242 4.350 -0.001 0.000 0.270 90 T C 1.411 176.110 174.700 -0.002 0.000 1.082 90 T CA 1.599 63.690 62.100 -0.015 0.000 1.123 90 T CB -0.254 68.610 68.868 -0.007 0.000 0.856 90 T HN 0.575 nan 8.240 nan 0.000 0.499 91 D N -0.061 120.348 120.400 0.014 0.000 2.531 91 D HA 0.027 4.666 4.640 -0.001 0.000 0.263 91 D C 2.426 178.740 176.300 0.024 0.000 1.057 91 D CA 1.085 55.097 54.000 0.021 0.000 0.909 91 D CB -0.008 40.813 40.800 0.035 0.000 1.236 91 D HN 0.479 nan 8.370 nan 0.000 0.494 92 T N -0.617 113.963 114.554 0.042 0.000 2.881 92 T HA -0.074 4.275 4.350 -0.001 0.000 0.270 92 T C 2.058 176.769 174.700 0.018 0.000 1.068 92 T CA 1.137 63.267 62.100 0.051 0.000 1.131 92 T CB -0.216 68.723 68.868 0.117 0.000 0.871 92 T HN -0.175 nan 8.240 nan 0.000 0.479 93 S N 0.891 116.590 115.700 -0.002 0.000 2.399 93 S HA 0.071 4.540 4.470 -0.001 0.000 0.231 93 S C 1.069 175.657 174.600 -0.020 0.000 1.022 93 S CA 0.221 58.411 58.200 -0.017 0.000 0.983 93 S CB -0.544 62.639 63.200 -0.029 0.000 0.803 93 S HN 0.482 nan 8.310 nan 0.000 0.480 94 V N 2.930 122.834 119.914 -0.017 0.000 3.032 94 V HA 0.003 4.122 4.120 -0.001 0.000 0.307 94 V C 1.479 177.553 176.094 -0.033 0.000 1.097 94 V CA 0.089 62.374 62.300 -0.024 0.000 1.191 94 V CB 0.418 32.231 31.823 -0.017 0.000 0.964 94 V HN 0.245 nan 8.190 nan 0.000 0.494 95 K N 3.071 123.441 120.400 -0.050 0.000 2.007 95 K HA -0.050 4.269 4.320 -0.001 0.000 0.206 95 K C 2.153 178.719 176.600 -0.056 0.000 1.047 95 K CA 1.540 57.783 56.287 -0.073 0.000 0.937 95 K CB -0.789 31.638 32.500 -0.121 0.000 0.718 95 K HN 0.887 nan 8.250 nan 0.000 0.438 96 G N 2.144 110.922 108.800 -0.038 0.000 2.408 96 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.217 96 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.217 96 G C 0.665 175.546 174.900 -0.032 0.000 1.150 96 G CA 0.125 45.215 45.100 -0.017 0.000 0.776 96 G HN 0.261 nan 8.290 nan 0.000 0.542 97 N N 0.745 119.429 118.700 -0.026 0.000 2.468 97 N HA 0.353 5.093 4.740 -0.001 0.000 0.265 97 N C 1.068 176.567 175.510 -0.018 0.000 1.199 97 N CA 0.542 53.580 53.050 -0.020 0.000 0.928 97 N CB 1.095 39.580 38.487 -0.004 0.000 1.059 97 N HN 0.475 nan 8.380 nan 0.000 0.467 98 M N -0.787 118.801 119.600 -0.020 0.000 1.554 98 M HA 0.204 4.683 4.480 -0.001 0.000 0.221 98 M C 0.851 177.166 176.300 0.024 0.000 0.956 98 M CA -0.168 55.130 55.300 -0.004 0.000 0.892 98 M CB 0.015 32.594 32.600 -0.034 0.000 1.799 98 M HN 0.228 nan 8.290 nan 0.000 0.677 99 A N 1.432 124.236 122.820 -0.027 0.000 2.259 99 A HA 0.068 4.387 4.320 -0.001 0.000 0.212 99 A C 1.696 179.352 177.584 0.121 0.000 1.178 99 A CA 1.066 53.137 52.037 0.057 0.000 0.734 99 A CB -0.578 18.342 19.000 -0.134 0.000 0.774 99 A HN 0.565 nan 8.150 nan 0.000 0.481 100 K N -0.206 120.241 120.400 0.078 0.000 2.413 100 K HA 0.058 4.377 4.320 -0.001 0.000 0.204 100 K C -0.530 176.123 176.600 0.088 0.000 1.041 100 K CA -0.237 56.097 56.287 0.079 0.000 1.082 100 K CB 0.313 32.845 32.500 0.053 0.000 0.871 100 K HN 0.391 nan 8.250 nan 0.000 0.535 101 D N 1.512 121.970 120.400 0.097 0.000 2.487 101 D HA -0.066 4.573 4.640 -0.001 0.000 0.243 101 D C -0.162 176.205 176.300 0.111 0.000 1.154 101 D CA 0.735 54.794 54.000 0.098 0.000 0.876 101 D CB 0.679 41.534 40.800 0.091 0.000 1.161 101 D HN -0.057 nan 8.370 nan 0.000 0.478 102 D N 2.366 122.835 120.400 0.116 0.000 2.623 102 D HA 0.232 4.872 4.640 -0.001 0.000 0.252 102 D C -0.379 176.029 176.300 0.179 0.000 1.294 102 D CA -0.340 53.756 54.000 0.160 0.000 0.824 102 D CB 0.357 41.250 40.800 0.154 0.000 1.070 102 D HN 0.429 nan 8.370 nan 0.000 0.487 103 A N 1.831 124.695 122.820 0.073 0.000 2.454 103 A HA 0.493 4.812 4.320 -0.001 0.000 0.260 103 A C 0.256 177.883 177.584 0.071 0.000 1.106 103 A CA 0.237 52.236 52.037 -0.062 0.000 0.780 103 A CB -0.003 18.847 19.000 -0.249 0.000 1.044 103 A HN 0.452 nan 8.150 nan 0.000 0.498 104 H N -0.099 118.953 119.070 -0.031 0.000 2.868 104 H HA 0.476 5.032 4.556 -0.001 0.000 0.278 104 H C -1.583 173.776 175.328 0.053 0.000 1.454 104 H CA -0.509 55.558 56.048 0.031 0.000 1.145 104 H CB 0.796 30.644 29.762 0.143 0.000 1.808 104 H HN 0.560 nan 8.280 nan 0.000 0.500 105 E N 1.700 122.001 120.200 0.169 0.000 2.409 105 E HA 0.196 4.546 4.350 -0.001 0.000 0.259 105 E C -0.970 175.812 176.600 0.304 0.000 0.932 105 E CA -0.459 56.008 56.400 0.111 0.000 0.809 105 E CB 1.478 31.219 29.700 0.068 0.000 1.341 105 E HN 0.573 nan 8.360 nan 0.000 0.405 106 Q N 3.748 123.720 119.800 0.286 0.000 2.212 106 Q HA 0.496 4.835 4.340 -0.001 0.000 0.238 106 Q C -0.326 175.670 176.000 -0.007 0.000 0.955 106 Q CA -0.752 55.132 55.803 0.134 0.000 0.906 106 Q CB 1.626 30.420 28.738 0.093 0.000 1.215 106 Q HN 0.472 nan 8.270 nan 0.000 0.478 107 I N 1.617 122.039 120.570 -0.247 0.000 2.382 107 I HA 0.205 4.374 4.170 -0.001 0.000 0.286 107 I C -0.819 175.217 176.117 -0.135 0.000 1.002 107 I CA -0.686 60.444 61.300 -0.283 0.000 1.135 107 I CB 0.989 38.587 38.000 -0.670 0.000 1.288 107 I HN 0.644 nan 8.210 nan 0.000 0.448 108 W N 8.381 129.618 121.300 -0.105 0.000 2.437 108 W HA 0.239 4.899 4.660 -0.001 0.000 0.312 108 W C -0.207 176.311 176.519 -0.002 0.000 1.242 108 W CA -0.361 56.955 57.345 -0.050 0.000 1.340 108 W CB 1.270 30.708 29.460 -0.036 0.000 1.327 108 W HN 0.520 nan 8.180 nan 0.000 0.476 109 T N 4.438 118.740 114.554 -0.420 0.000 2.875 109 T HA 0.298 4.647 4.350 -0.001 0.000 0.284 109 T C -1.420 173.009 174.700 -0.451 0.000 0.995 109 T CA -1.852 60.055 62.100 -0.321 0.000 1.060 109 T CB 2.073 70.992 68.868 0.086 0.000 0.967 109 T HN 0.405 nan 8.240 nan 0.000 0.476 110 P HA 0.066 nan 4.420 nan 0.000 0.244 110 P C -0.669 176.487 177.300 -0.239 0.000 1.211 110 P CA 0.029 63.038 63.100 -0.153 0.000 0.760 110 P CB -0.139 31.458 31.700 -0.172 0.000 0.961 111 W N 0.144 121.324 121.300 -0.201 0.000 2.509 111 W HA 0.422 5.081 4.660 -0.001 0.000 0.351 111 W C 0.371 176.828 176.519 -0.103 0.000 1.107 111 W CA -0.194 57.087 57.345 -0.106 0.000 1.264 111 W CB 0.929 30.351 29.460 -0.063 0.000 1.312 111 W HN -0.311 nan 8.180 nan 0.000 0.608 112 S N 1.788 117.583 115.700 0.158 0.000 2.482 112 S HA 0.534 5.004 4.470 -0.001 0.000 0.303 112 S C -0.784 173.870 174.600 0.089 0.000 1.091 112 S CA -0.745 57.504 58.200 0.082 0.000 1.057 112 S CB 0.909 64.137 63.200 0.047 0.000 1.031 112 S HN 0.363 nan 8.310 nan 0.000 0.485 113 L N 3.000 124.256 121.223 0.056 0.000 2.399 113 L HA 0.570 4.909 4.340 -0.001 0.000 0.266 113 L C -0.950 175.918 176.870 -0.003 0.000 1.114 113 L CA -0.382 54.464 54.840 0.009 0.000 0.804 113 L CB 1.041 43.118 42.059 0.030 0.000 1.146 113 L HN 0.405 nan 8.230 nan 0.000 0.451 114 V N 2.957 122.854 119.914 -0.028 0.000 2.315 114 V HA 0.233 4.353 4.120 -0.001 0.000 0.265 114 V C -0.450 175.579 176.094 -0.110 0.000 1.019 114 V CA -0.653 61.603 62.300 -0.073 0.000 0.824 114 V CB 0.904 32.706 31.823 -0.036 0.000 1.072 114 V HN 0.645 nan 8.190 nan 0.000 0.448 115 D N 2.994 123.321 120.400 -0.122 0.000 2.210 115 D HA 0.595 5.234 4.640 -0.001 0.000 0.249 115 D C 0.362 176.554 176.300 -0.181 0.000 1.078 115 D CA 0.013 53.948 54.000 -0.109 0.000 0.875 115 D CB 2.518 43.251 40.800 -0.112 0.000 1.175 115 D HN 0.499 nan 8.370 nan 0.000 0.440 116 A N 3.603 126.362 122.820 -0.102 0.000 2.585 116 A HA 0.031 4.350 4.320 -0.001 0.000 0.266 116 A C 0.684 178.287 177.584 0.033 0.000 1.178 116 A CA -0.391 51.566 52.037 -0.135 0.000 0.966 116 A CB 0.062 18.998 19.000 -0.106 0.000 1.170 116 A HN 0.482 nan 8.150 nan 0.000 0.558 117 N N 2.435 121.021 118.700 -0.189 0.000 2.892 117 N HA 0.376 5.115 4.740 -0.001 0.000 0.300 117 N C -0.569 174.695 175.510 -0.410 0.000 1.211 117 N CA 0.889 53.557 53.050 -0.636 0.000 1.158 117 N CB -0.284 37.590 38.487 -1.021 0.000 1.455 117 N HN 0.482 nan 8.380 nan 0.000 0.524 118 A N 1.987 124.653 122.820 -0.256 0.000 2.512 118 A HA 0.207 4.526 4.320 -0.001 0.000 0.290 118 A C 0.348 177.787 177.584 -0.241 0.000 1.041 118 A CA -0.858 51.041 52.037 -0.230 0.000 0.911 118 A CB -0.327 18.627 19.000 -0.076 0.000 1.407 118 A HN 0.441 nan 8.150 nan 0.000 0.398 119 W N 2.324 123.559 121.300 -0.108 0.000 2.283 119 W HA -0.271 4.389 4.660 -0.001 0.000 0.335 119 W C 2.265 178.574 176.519 -0.351 0.000 1.313 119 W CA 2.779 60.084 57.345 -0.067 0.000 1.263 119 W CB -0.626 28.695 29.460 -0.232 0.000 1.141 119 W HN 0.966 nan 8.180 nan 0.000 0.468 120 G N -0.028 108.332 108.800 -0.733 0.000 2.773 120 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.224 120 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.224 120 G C 1.448 175.543 174.900 -1.342 0.000 1.078 120 G CA 1.549 45.718 45.100 -1.551 0.000 0.724 120 G HN 0.355 nan 8.290 nan 0.000 0.620 121 V N -1.390 117.951 119.914 -0.955 0.000 2.649 121 V HA 0.117 4.236 4.120 -0.001 0.000 0.248 121 V C 2.124 177.907 176.094 -0.518 0.000 1.054 121 V CA 1.529 63.409 62.300 -0.699 0.000 1.073 121 V CB -0.225 31.155 31.823 -0.737 0.000 0.699 121 V HN 0.568 nan 8.190 nan 0.000 0.463 122 W N 0.189 121.462 121.300 -0.044 0.000 2.633 122 W HA 0.329 4.989 4.660 -0.001 0.000 0.295 122 W C 1.006 177.594 176.519 0.115 0.000 1.133 122 W CA -0.089 57.301 57.345 0.075 0.000 1.490 122 W CB -0.436 29.087 29.460 0.105 0.000 1.127 122 W HN 0.014 nan 8.180 nan 0.000 0.538 123 L N 1.252 122.750 121.223 0.458 0.000 2.439 123 L HA 0.335 4.675 4.340 -0.001 0.000 0.259 123 L C 0.306 177.369 176.870 0.323 0.000 1.129 123 L CA -0.798 54.273 54.840 0.385 0.000 0.803 123 L CB 0.189 42.544 42.059 0.494 0.000 1.161 123 L HN -0.020 nan 8.230 nan 0.000 0.462 124 Q N 0.627 120.572 119.800 0.241 0.000 2.230 124 Q HA 0.239 4.578 4.340 -0.001 0.000 0.253 124 Q C -1.890 174.168 176.000 0.097 0.000 0.919 124 Q CA -1.749 54.175 55.803 0.203 0.000 0.908 124 Q CB 2.183 31.024 28.738 0.172 0.000 1.245 124 Q HN 0.238 nan 8.270 nan 0.000 0.437 125 P HA -0.363 nan 4.420 nan 0.000 0.216 125 P C 1.198 178.363 177.300 -0.225 0.000 1.151 125 P CA 2.708 65.712 63.100 -0.159 0.000 0.953 125 P CB -0.040 31.595 31.700 -0.108 0.000 0.789 126 S N -0.988 114.632 115.700 -0.134 0.000 2.381 126 S HA -0.307 4.162 4.470 -0.001 0.000 0.230 126 S C 1.755 176.351 174.600 -0.007 0.000 1.052 126 S CA 2.178 60.325 58.200 -0.088 0.000 1.068 126 S CB -1.761 61.429 63.200 -0.016 0.000 0.918 126 S HN 0.109 nan 8.310 nan 0.000 0.448 127 D N 0.567 121.001 120.400 0.057 0.000 2.106 127 D HA -0.139 4.500 4.640 -0.001 0.000 0.191 127 D C 1.568 177.931 176.300 0.106 0.000 0.997 127 D CA 1.314 55.398 54.000 0.139 0.000 0.834 127 D CB -0.717 40.213 40.800 0.216 0.000 0.956 127 D HN 0.642 nan 8.370 nan 0.000 0.448 128 W N 2.222 123.406 121.300 -0.193 0.000 2.313 128 W HA -0.268 4.391 4.660 -0.001 0.000 0.293 128 W C 2.154 178.547 176.519 -0.210 0.000 1.216 128 W CA 1.792 58.961 57.345 -0.293 0.000 1.223 128 W CB -0.154 28.823 29.460 -0.806 0.000 1.138 128 W HN 0.146 nan 8.180 nan 0.000 0.535 129 Q N -0.452 119.294 119.800 -0.090 0.000 1.967 129 Q HA -0.330 4.009 4.340 -0.001 0.000 0.202 129 Q C 2.396 178.318 176.000 -0.131 0.000 0.985 129 Q CA 2.166 57.887 55.803 -0.137 0.000 0.839 129 Q CB -1.395 27.258 28.738 -0.142 0.000 0.906 129 Q HN 0.226 nan 8.270 nan 0.000 0.423 130 Y N 0.945 121.133 120.300 -0.187 0.000 2.030 130 Y HA -0.343 4.206 4.550 -0.001 0.000 0.272 130 Y C 1.993 177.768 175.900 -0.208 0.000 1.185 130 Y CA 2.357 60.344 58.100 -0.188 0.000 1.120 130 Y CB -0.548 37.798 38.460 -0.191 0.000 0.955 130 Y HN 0.242 nan 8.280 nan 0.000 0.495 131 I N -1.056 119.591 120.570 0.129 0.000 2.091 131 I HA -0.440 3.729 4.170 -0.001 0.000 0.239 131 I C 2.655 178.642 176.117 -0.217 0.000 1.061 131 I CA 1.746 63.035 61.300 -0.017 0.000 1.317 131 I CB -0.896 37.012 38.000 -0.152 0.000 1.031 131 I HN 0.320 nan 8.210 nan 0.000 0.401 132 C N 0.438 119.493 119.300 -0.409 0.000 2.429 132 C HA -0.129 4.330 4.460 -0.001 0.000 0.277 132 C C 2.596 177.444 174.990 -0.237 0.000 1.262 132 C CA 0.828 59.621 59.018 -0.375 0.000 1.733 132 C CB -1.418 26.047 27.740 -0.460 0.000 2.010 132 C HN 0.538 nan 8.230 nan 0.000 0.483 133 N N 0.109 118.665 118.700 -0.240 0.000 2.396 133 N HA -0.059 4.680 4.740 -0.001 0.000 0.180 133 N C 1.597 176.971 175.510 -0.226 0.000 1.028 133 N CA 1.278 54.191 53.050 -0.229 0.000 0.893 133 N CB -0.193 38.139 38.487 -0.258 0.000 0.967 133 N HN 0.530 nan 8.380 nan 0.000 0.440 134 T N -0.043 114.367 114.554 -0.240 0.000 2.999 134 T HA 0.240 4.590 4.350 -0.001 0.000 0.247 134 T C 0.865 175.494 174.700 -0.118 0.000 1.012 134 T CA -0.091 61.879 62.100 -0.215 0.000 1.048 134 T CB 0.689 69.349 68.868 -0.347 0.000 1.020 134 T HN -0.047 nan 8.240 nan 0.000 0.478 135 M N 1.387 120.931 119.600 -0.093 0.000 2.219 135 M HA 0.419 4.898 4.480 -0.001 0.000 0.280 135 M C 1.522 177.775 176.300 -0.079 0.000 1.189 135 M CA -0.225 55.035 55.300 -0.067 0.000 1.010 135 M CB 0.396 32.969 32.600 -0.045 0.000 1.422 135 M HN 0.147 nan 8.290 nan 0.000 0.504 136 S N -1.453 114.202 115.700 -0.075 0.000 2.649 136 S HA 0.230 4.699 4.470 -0.001 0.000 0.246 136 S C -0.118 174.458 174.600 -0.041 0.000 1.057 136 S CA -0.304 57.857 58.200 -0.065 0.000 1.051 136 S CB 0.582 63.729 63.200 -0.088 0.000 1.018 136 S HN 0.747 nan 8.310 nan 0.000 0.569 137 Q N -0.039 119.743 119.800 -0.031 0.000 2.594 137 Q HA 0.704 5.043 4.340 -0.001 0.000 0.278 137 Q C -2.119 173.915 176.000 0.057 0.000 0.961 137 Q CA -1.138 54.677 55.803 0.020 0.000 0.844 137 Q CB 1.041 29.797 28.738 0.029 0.000 1.475 137 Q HN 0.214 nan 8.270 nan 0.000 0.389 138 L N 1.059 122.359 121.223 0.130 0.000 2.409 138 L HA 0.712 5.052 4.340 -0.001 0.000 0.262 138 L C -1.943 175.104 176.870 0.295 0.000 0.992 138 L CA -0.152 54.798 54.840 0.183 0.000 0.817 138 L CB 2.489 44.656 42.059 0.181 0.000 1.350 138 L HN 0.937 nan 8.230 nan 0.000 0.411 139 N N 2.868 121.661 118.700 0.154 0.000 2.308 139 N HA 0.492 5.231 4.740 -0.001 0.000 0.283 139 N C -1.611 173.722 175.510 -0.295 0.000 1.105 139 N CA -0.743 52.283 53.050 -0.039 0.000 0.840 139 N CB 1.365 39.863 38.487 0.019 0.000 1.633 139 N HN 0.504 nan 8.380 nan 0.000 0.476 140 L N 2.560 123.327 121.223 -0.760 0.000 2.485 140 L HA 0.112 4.451 4.340 -0.001 0.000 0.275 140 L C 0.910 177.570 176.870 -0.350 0.000 1.207 140 L CA 0.610 54.993 54.840 -0.761 0.000 0.855 140 L CB 1.312 42.511 42.059 -1.434 0.000 1.114 140 L HN 0.522 nan 8.230 nan 0.000 0.485 141 V N -0.278 119.534 119.914 -0.171 0.000 3.054 141 V HA 0.373 4.492 4.120 -0.001 0.000 0.227 141 V C 0.225 176.401 176.094 0.135 0.000 1.252 141 V CA 0.716 62.994 62.300 -0.036 0.000 1.279 141 V CB 0.741 32.507 31.823 -0.094 0.000 1.118 141 V HN 0.831 nan 8.190 nan 0.000 0.504 142 S N 0.183 115.992 115.700 0.183 0.000 2.552 142 S HA 0.699 5.169 4.470 -0.001 0.000 0.272 142 S C -1.746 172.924 174.600 0.117 0.000 1.150 142 S CA -0.534 57.783 58.200 0.196 0.000 0.849 142 S CB 2.281 65.620 63.200 0.232 0.000 1.113 142 S HN 0.470 nan 8.310 nan 0.000 0.458 143 L N 1.490 122.745 121.223 0.055 0.000 2.362 143 L HA 0.910 5.249 4.340 -0.001 0.000 0.271 143 L C -1.612 175.269 176.870 0.017 0.000 1.002 143 L CA -0.043 54.812 54.840 0.026 0.000 0.818 143 L CB 1.972 44.045 42.059 0.023 0.000 1.298 143 L HN 0.907 nan 8.230 nan 0.000 0.420 144 D N 2.782 123.214 120.400 0.053 0.000 2.855 144 D HA 0.358 4.997 4.640 -0.001 0.000 0.241 144 D C -1.390 174.954 176.300 0.074 0.000 1.277 144 D CA -0.143 53.875 54.000 0.030 0.000 0.918 144 D CB 1.825 42.610 40.800 -0.024 0.000 1.462 144 D HN 0.694 nan 8.370 nan 0.000 0.559 145 Q N 1.435 121.292 119.800 0.093 0.000 2.248 145 Q HA 0.617 4.956 4.340 -0.001 0.000 0.263 145 Q C -0.627 175.377 176.000 0.007 0.000 1.007 145 Q CA -0.888 54.977 55.803 0.103 0.000 0.877 145 Q CB 2.895 31.869 28.738 0.394 0.000 1.315 145 Q HN 0.422 nan 8.270 nan 0.000 0.454 146 E N 1.373 121.534 120.200 -0.065 0.000 2.388 146 E HA 0.379 4.728 4.350 -0.001 0.000 0.289 146 E C -1.785 174.972 176.600 0.262 0.000 0.944 146 E CA -0.293 56.145 56.400 0.063 0.000 0.792 146 E CB 1.563 31.247 29.700 -0.026 0.000 1.239 146 E HN 0.537 nan 8.360 nan 0.000 0.412 147 I N 5.165 125.973 120.570 0.397 0.000 2.474 147 I HA 0.610 4.779 4.170 -0.001 0.000 0.294 147 I C -0.828 175.594 176.117 0.508 0.000 1.005 147 I CA -0.753 60.788 61.300 0.401 0.000 1.113 147 I CB 1.043 39.161 38.000 0.196 0.000 1.289 147 I HN 0.462 nan 8.210 nan 0.000 0.436 148 F N 3.453 123.556 119.950 0.256 0.000 2.799 148 F HA 0.443 4.970 4.527 -0.001 0.000 0.316 148 F C -0.501 175.494 175.800 0.324 0.000 1.155 148 F CA -1.375 56.752 58.000 0.210 0.000 0.916 148 F CB 0.879 39.948 39.000 0.114 0.000 1.294 148 F HN 0.495 nan 8.300 nan 0.000 0.447 149 N N 0.844 119.755 118.700 0.352 0.000 2.725 149 N HA -0.118 4.621 4.740 -0.001 0.000 0.256 149 N C -1.034 174.633 175.510 0.261 0.000 1.087 149 N CA 0.527 53.753 53.050 0.294 0.000 0.690 149 N CB -0.464 38.201 38.487 0.298 0.000 0.891 149 N HN 0.572 nan 8.380 nan 0.000 0.553 150 V N 1.259 121.289 119.914 0.192 0.000 2.637 150 V HA 0.224 4.343 4.120 -0.001 0.000 0.296 150 V C 0.881 177.026 176.094 0.085 0.000 1.046 150 V CA -0.069 62.316 62.300 0.143 0.000 1.066 150 V CB 1.697 33.572 31.823 0.087 0.000 0.968 150 V HN 0.117 nan 8.190 nan 0.000 0.483 151 V N 6.475 126.407 119.914 0.031 0.000 2.447 151 V HA 0.483 4.602 4.120 -0.001 0.000 0.292 151 V C -0.441 175.564 176.094 -0.149 0.000 1.021 151 V CA -0.459 61.811 62.300 -0.050 0.000 0.850 151 V CB 1.493 33.270 31.823 -0.077 0.000 1.005 151 V HN 0.616 nan 8.190 nan 0.000 0.426 152 L N 5.113 126.255 121.223 -0.136 0.000 2.325 152 L HA 0.674 5.013 4.340 -0.001 0.000 0.281 152 L C -0.283 176.478 176.870 -0.182 0.000 1.004 152 L CA -0.463 54.267 54.840 -0.184 0.000 0.823 152 L CB 2.022 44.023 42.059 -0.097 0.000 1.236 152 L HN 0.607 nan 8.230 nan 0.000 0.415 153 K N 1.370 121.592 120.400 -0.296 0.000 2.435 153 K HA 0.696 5.015 4.320 -0.001 0.000 0.251 153 K C -0.781 175.889 176.600 0.116 0.000 0.954 153 K CA -0.805 55.425 56.287 -0.094 0.000 0.820 153 K CB 2.784 35.248 32.500 -0.061 0.000 1.292 153 K HN 0.576 nan 8.250 nan 0.000 0.436 154 T N -1.989 112.680 114.554 0.191 0.000 2.887 154 T HA 0.593 4.943 4.350 -0.001 0.000 0.288 154 T C -0.240 174.590 174.700 0.217 0.000 1.021 154 T CA -0.916 61.302 62.100 0.197 0.000 1.000 154 T CB 1.319 70.245 68.868 0.096 0.000 1.034 154 T HN 0.370 nan 8.240 nan 0.000 0.467 155 V N -0.151 119.853 119.914 0.150 0.000 2.513 155 V HA 0.915 5.034 4.120 -0.001 0.000 0.299 155 V C -0.200 175.866 176.094 -0.047 0.000 1.035 155 V CA -0.690 61.618 62.300 0.012 0.000 0.889 155 V CB 1.331 33.108 31.823 -0.076 0.000 0.988 155 V HN 1.232 nan 8.190 nan 0.000 0.440 156 T N 0.756 115.250 114.554 -0.101 0.000 2.892 156 T HA 0.522 4.872 4.350 -0.001 0.000 0.311 156 T C -0.428 174.205 174.700 -0.112 0.000 1.033 156 T CA -0.430 61.624 62.100 -0.076 0.000 0.991 156 T CB 0.624 69.466 68.868 -0.043 0.000 0.981 156 T HN 0.846 nan 8.240 nan 0.000 0.457 157 E N 3.078 123.219 120.200 -0.099 0.000 1.985 157 E HA 0.149 4.498 4.350 -0.001 0.000 0.268 157 E C 0.358 176.916 176.600 -0.069 0.000 1.219 157 E CA -0.170 56.170 56.400 -0.099 0.000 0.942 157 E CB 0.629 30.282 29.700 -0.078 0.000 1.045 157 E HN 0.647 nan 8.360 nan 0.000 0.413 158 Q N 1.727 121.485 119.800 -0.070 0.000 3.083 158 Q HA 0.107 4.446 4.340 -0.001 0.000 0.197 158 Q C -0.562 175.413 176.000 -0.042 0.000 1.107 158 Q CA -0.614 55.161 55.803 -0.048 0.000 0.675 158 Q CB 0.747 29.461 28.738 -0.040 0.000 3.807 158 Q HN 0.329 nan 8.270 nan 0.000 0.357 159 D N -0.694 119.687 120.400 -0.032 0.000 2.699 159 D HA -0.118 4.521 4.640 -0.001 0.000 0.239 159 D C -0.318 175.968 176.300 -0.023 0.000 1.136 159 D CA 0.930 54.915 54.000 -0.025 0.000 0.668 159 D CB -1.072 39.712 40.800 -0.027 0.000 1.060 159 D HN 0.374 nan 8.370 nan 0.000 0.429 160 S N -0.969 114.719 115.700 -0.021 0.000 2.527 160 S HA 0.185 4.654 4.470 -0.001 0.000 0.222 160 S C 1.437 176.029 174.600 -0.014 0.000 0.985 160 S CA 0.463 58.652 58.200 -0.018 0.000 0.921 160 S CB 0.694 63.883 63.200 -0.017 0.000 0.772 160 S HN 0.525 nan 8.310 nan 0.000 0.529 161 G N 0.105 108.897 108.800 -0.013 0.000 4.403 161 G HA2 0.527 4.487 3.960 -0.001 0.000 0.297 161 G HA3 0.527 4.487 3.960 -0.001 0.000 0.297 161 G C 0.555 175.450 174.900 -0.010 0.000 1.325 161 G CA 0.061 45.155 45.100 -0.010 0.000 1.378 161 G HN 0.452 nan 8.290 nan 0.000 0.595 162 G N -0.263 108.531 108.800 -0.011 0.000 4.040 162 G HA2 -0.009 3.950 3.960 -0.001 0.000 0.192 162 G HA3 -0.009 3.950 3.960 -0.001 0.000 0.192 162 G C 0.330 175.224 174.900 -0.011 0.000 0.963 162 G CA 0.884 45.978 45.100 -0.010 0.000 0.886 162 G HN 0.556 nan 8.290 nan 0.000 0.333 163 Q N -1.873 117.919 119.800 -0.014 0.000 1.531 163 Q HA 0.533 4.872 4.340 -0.001 0.000 0.144 163 Q C -0.888 175.101 176.000 -0.020 0.000 0.460 163 Q CA 0.852 56.646 55.803 -0.015 0.000 0.786 163 Q CB 0.243 28.973 28.738 -0.014 0.000 0.817 163 Q HN 1.401 nan 8.270 nan 0.000 0.172 164 A N 1.262 124.067 122.820 -0.024 0.000 2.100 164 A HA 0.394 4.713 4.320 -0.001 0.000 0.249 164 A C -1.436 176.125 177.584 -0.039 0.000 1.447 164 A CA -0.410 51.608 52.037 -0.031 0.000 1.397 164 A CB -0.350 18.634 19.000 -0.027 0.000 1.118 164 A HN 0.303 nan 8.150 nan 0.000 0.764 165 I N 0.337 120.880 120.570 -0.046 0.000 3.210 165 I HA 0.665 4.834 4.170 -0.001 0.000 0.316 165 I C -0.054 176.004 176.117 -0.100 0.000 1.067 165 I CA -0.482 60.782 61.300 -0.060 0.000 1.047 165 I CB 1.318 39.289 38.000 -0.049 0.000 1.352 165 I HN 0.375 nan 8.210 nan 0.000 0.565 166 K N 4.620 124.933 120.400 -0.146 0.000 2.507 166 K HA 0.552 4.872 4.320 -0.001 0.000 0.252 166 K C -1.525 174.852 176.600 -0.373 0.000 0.943 166 K CA -0.390 55.728 56.287 -0.282 0.000 0.808 166 K CB 1.756 34.039 32.500 -0.360 0.000 1.142 166 K HN 0.389 nan 8.250 nan 0.000 0.426 167 I N 3.058 123.419 120.570 -0.347 0.000 2.377 167 I HA 0.343 4.512 4.170 -0.001 0.000 0.293 167 I C -0.855 175.082 176.117 -0.300 0.000 0.987 167 I CA -1.016 60.138 61.300 -0.244 0.000 1.185 167 I CB 0.755 38.697 38.000 -0.097 0.000 1.341 167 I HN 0.415 nan 8.210 nan 0.000 0.455 168 Y N 5.113 125.437 120.300 0.039 0.000 2.377 168 Y HA 0.515 5.064 4.550 -0.001 0.000 0.339 168 Y C 0.085 176.029 175.900 0.072 0.000 1.011 168 Y CA -0.886 57.258 58.100 0.074 0.000 1.093 168 Y CB 1.479 39.995 38.460 0.093 0.000 1.201 168 Y HN 0.602 nan 8.280 nan 0.000 0.455 169 N N 1.190 120.040 118.700 0.251 0.000 2.710 169 N HA 0.114 4.853 4.740 -0.001 0.000 0.257 169 N C -2.058 173.523 175.510 0.119 0.000 1.140 169 N CA -0.938 52.200 53.050 0.148 0.000 0.953 169 N CB 0.896 39.440 38.487 0.094 0.000 1.664 169 N HN 0.773 nan 8.380 nan 0.000 0.497 170 N N -0.197 118.545 118.700 0.071 0.000 2.498 170 N HA 0.213 4.952 4.740 -0.001 0.000 0.287 170 N C -1.290 174.234 175.510 0.023 0.000 1.097 170 N CA -0.559 52.509 53.050 0.031 0.000 0.973 170 N CB 1.588 40.077 38.487 0.003 0.000 1.153 170 N HN 0.549 nan 8.380 nan 0.000 0.472 171 D N 2.170 122.576 120.400 0.010 0.000 2.232 171 D HA 0.191 4.830 4.640 -0.001 0.000 0.242 171 D C 0.745 177.045 176.300 -0.001 0.000 1.093 171 D CA -0.628 53.376 54.000 0.007 0.000 0.845 171 D CB 1.593 42.396 40.800 0.005 0.000 1.124 171 D HN 0.568 nan 8.370 nan 0.000 0.467 172 L N 2.428 123.654 121.223 0.005 0.000 2.084 172 L HA -0.048 4.291 4.340 -0.001 0.000 0.202 172 L C 2.576 179.447 176.870 0.002 0.000 1.074 172 L CA 1.216 56.059 54.840 0.005 0.000 0.757 172 L CB -0.894 41.171 42.059 0.011 0.000 0.918 172 L HN 0.551 nan 8.230 nan 0.000 0.444 173 T N -0.824 113.731 114.554 0.002 0.000 2.803 173 T HA -0.072 4.277 4.350 -0.001 0.000 0.269 173 T C 1.113 175.809 174.700 -0.007 0.000 1.052 173 T CA 0.520 62.619 62.100 -0.001 0.000 1.136 173 T CB -0.570 68.298 68.868 -0.001 0.000 0.864 173 T HN 0.269 nan 8.240 nan 0.000 0.467 174 A N 0.988 123.801 122.820 -0.012 0.000 2.583 174 A HA 0.442 4.761 4.320 -0.001 0.000 0.231 174 A C 0.934 178.504 177.584 -0.024 0.000 1.065 174 A CA -0.096 51.928 52.037 -0.021 0.000 0.760 174 A CB -0.675 18.310 19.000 -0.026 0.000 1.001 174 A HN 1.287 nan 8.150 nan 0.000 0.509 175 C N 1.282 120.563 119.300 -0.033 0.000 3.236 175 C HA 0.878 5.337 4.460 -0.001 0.000 0.312 175 C C -0.378 174.579 174.990 -0.054 0.000 1.374 175 C CA -0.820 58.178 59.018 -0.034 0.000 1.455 175 C CB 0.850 28.576 27.740 -0.023 0.000 1.834 175 C HN 1.167 nan 8.230 nan 0.000 0.460 176 M N 1.571 121.137 119.600 -0.057 0.000 2.777 176 M HA 0.790 5.269 4.480 -0.001 0.000 0.307 176 M C -1.295 174.954 176.300 -0.085 0.000 1.228 176 M CA -0.705 54.543 55.300 -0.087 0.000 0.871 176 M CB 2.067 34.612 32.600 -0.093 0.000 1.721 176 M HN 0.871 nan 8.290 nan 0.000 0.487 177 M N 2.463 121.999 119.600 -0.106 0.000 2.327 177 M HA 0.582 5.061 4.480 -0.001 0.000 0.298 177 M C -1.589 174.737 176.300 0.043 0.000 1.065 177 M CA -0.826 54.463 55.300 -0.018 0.000 0.916 177 M CB 2.305 34.921 32.600 0.026 0.000 1.630 177 M HN 0.408 nan 8.290 nan 0.000 0.442 178 V N 1.677 121.567 119.914 -0.040 0.000 2.914 178 V HA 1.017 5.136 4.120 -0.001 0.000 0.314 178 V C -0.762 175.182 176.094 -0.250 0.000 1.084 178 V CA -0.630 61.553 62.300 -0.195 0.000 0.963 178 V CB 2.087 33.565 31.823 -0.575 0.000 1.025 178 V HN 0.975 nan 8.190 nan 0.000 0.432 179 A N 2.664 125.311 122.820 -0.288 0.000 2.589 179 A HA 0.849 5.168 4.320 -0.001 0.000 0.296 179 A C -1.789 175.639 177.584 -0.260 0.000 1.062 179 A CA -0.482 51.374 52.037 -0.302 0.000 0.686 179 A CB 2.052 20.832 19.000 -0.366 0.000 1.282 179 A HN 0.725 nan 8.150 nan 0.000 0.404 180 V N 1.758 121.563 119.914 -0.181 0.000 2.483 180 V HA 0.330 4.449 4.120 -0.001 0.000 0.297 180 V C -0.603 175.411 176.094 -0.133 0.000 1.027 180 V CA -0.286 61.944 62.300 -0.117 0.000 0.855 180 V CB 1.734 33.559 31.823 0.004 0.000 0.995 180 V HN 0.971 nan 8.190 nan 0.000 0.424 181 D N 3.153 123.454 120.400 -0.165 0.000 2.688 181 D HA 0.078 4.717 4.640 -0.001 0.000 0.228 181 D C 1.556 177.779 176.300 -0.127 0.000 1.116 181 D CA 0.612 54.508 54.000 -0.175 0.000 1.023 181 D CB 0.539 41.211 40.800 -0.214 0.000 1.100 181 D HN 0.606 nan 8.370 nan 0.000 0.487 182 S N 2.030 117.666 115.700 -0.107 0.000 2.368 182 S HA -0.179 4.290 4.470 -0.001 0.000 0.224 182 S C 1.587 176.126 174.600 -0.101 0.000 1.029 182 S CA 0.503 58.648 58.200 -0.093 0.000 0.988 182 S CB -0.186 62.974 63.200 -0.068 0.000 0.838 182 S HN 0.411 nan 8.310 nan 0.000 0.462 183 N N 2.273 120.908 118.700 -0.109 0.000 2.550 183 N HA 0.023 4.762 4.740 -0.001 0.000 0.186 183 N C -0.401 175.034 175.510 -0.126 0.000 1.110 183 N CA 0.509 53.493 53.050 -0.110 0.000 0.912 183 N CB -0.548 37.870 38.487 -0.115 0.000 0.968 183 N HN 0.409 nan 8.380 nan 0.000 0.448 184 N N 0.594 119.211 118.700 -0.138 0.000 2.708 184 N HA -0.173 4.566 4.740 -0.001 0.000 0.255 184 N C 0.520 175.927 175.510 -0.171 0.000 1.046 184 N CA 0.236 53.204 53.050 -0.137 0.000 0.715 184 N CB -1.122 37.288 38.487 -0.130 0.000 0.895 184 N HN 0.244 nan 8.380 nan 0.000 0.545 185 I N -0.670 119.753 120.570 -0.245 0.000 2.406 185 I HA -0.080 4.090 4.170 -0.001 0.000 0.249 185 I C 1.168 176.997 176.117 -0.481 0.000 1.122 185 I CA 0.793 61.862 61.300 -0.384 0.000 1.431 185 I CB -0.058 37.655 38.000 -0.478 0.000 1.087 185 I HN 0.175 nan 8.210 nan 0.000 0.424 186 L N 0.902 121.918 121.223 -0.346 0.000 2.436 186 L HA 0.277 4.616 4.340 -0.001 0.000 0.265 186 L C -2.092 174.780 176.870 0.004 0.000 1.168 186 L CA -1.341 53.380 54.840 -0.197 0.000 0.815 186 L CB -1.054 40.941 42.059 -0.106 0.000 1.109 186 L HN -0.112 nan 8.230 nan 0.000 0.462 187 P HA 0.037 nan 4.420 nan 0.000 0.271 187 P C -1.075 176.415 177.300 0.316 0.000 1.218 187 P CA -0.248 62.970 63.100 0.198 0.000 0.780 187 P CB 0.244 32.067 31.700 0.206 0.000 0.901 188 Y N 1.648 122.026 120.300 0.130 0.000 2.411 188 Y HA 0.219 4.768 4.550 -0.001 0.000 0.333 188 Y C 0.499 176.494 175.900 0.158 0.000 1.186 188 Y CA 0.630 58.809 58.100 0.131 0.000 1.381 188 Y CB 0.157 38.686 38.460 0.114 0.000 1.273 188 Y HN 0.225 nan 8.280 nan 0.000 0.546 189 T N 7.456 121.961 114.554 -0.081 0.000 3.296 189 T HA 0.247 4.596 4.350 -0.001 0.000 0.333 189 T C -2.782 171.774 174.700 -0.240 0.000 1.280 189 T CA -1.104 60.956 62.100 -0.066 0.000 1.558 189 T CB 0.568 69.507 68.868 0.118 0.000 0.929 189 T HN 0.329 nan 8.240 nan 0.000 0.596 190 P HA 0.294 nan 4.420 nan 0.000 0.267 190 P C 0.734 177.934 177.300 -0.167 0.000 1.209 190 P CA -0.171 62.738 63.100 -0.318 0.000 0.763 190 P CB 0.706 32.251 31.700 -0.258 0.000 0.816 191 A N 4.392 127.123 122.820 -0.149 0.000 2.015 191 A HA -0.057 4.262 4.320 -0.001 0.000 0.219 191 A C 2.023 179.565 177.584 -0.069 0.000 1.163 191 A CA 1.637 53.621 52.037 -0.088 0.000 0.646 191 A CB -1.214 17.744 19.000 -0.070 0.000 0.806 191 A HN 0.523 nan 8.150 nan 0.000 0.448 192 A N -0.105 122.672 122.820 -0.072 0.000 2.121 192 A HA -0.141 4.178 4.320 -0.001 0.000 0.218 192 A C 1.677 179.250 177.584 -0.019 0.000 1.154 192 A CA 1.272 53.292 52.037 -0.027 0.000 0.679 192 A CB -0.886 18.104 19.000 -0.017 0.000 0.795 192 A HN 0.698 nan 8.150 nan 0.000 0.458 193 N N -0.175 118.500 118.700 -0.043 0.000 2.609 193 N HA -0.085 4.654 4.740 -0.001 0.000 0.190 193 N C 0.507 175.999 175.510 -0.030 0.000 1.157 193 N CA 0.778 53.809 53.050 -0.031 0.000 0.918 193 N CB 0.027 38.493 38.487 -0.035 0.000 0.978 193 N HN 0.508 nan 8.380 nan 0.000 0.448 194 S N -1.065 114.611 115.700 -0.040 0.000 3.029 194 S HA 0.132 4.601 4.470 -0.001 0.000 0.244 194 S C 0.022 174.570 174.600 -0.086 0.000 0.814 194 S CA -0.552 57.621 58.200 -0.046 0.000 1.148 194 S CB 0.048 63.223 63.200 -0.042 0.000 1.253 194 S HN 0.034 nan 8.310 nan 0.000 0.555 195 M N 1.405 120.938 119.600 -0.111 0.000 2.107 195 M HA -0.183 4.296 4.480 -0.001 0.000 0.190 195 M C 0.090 176.144 176.300 -0.409 0.000 0.436 195 M CA 1.009 56.111 55.300 -0.329 0.000 0.393 195 M CB -2.693 29.693 32.600 -0.357 0.000 1.003 195 M HN 0.678 nan 8.290 nan 0.000 0.939 196 E N -1.268 118.837 120.200 -0.158 0.000 2.887 196 E HA 0.139 4.489 4.350 -0.001 0.000 0.206 196 E C 1.216 177.850 176.600 0.057 0.000 0.983 196 E CA 0.364 56.745 56.400 -0.031 0.000 1.141 196 E CB 0.750 30.433 29.700 -0.029 0.000 1.061 196 E HN 0.731 nan 8.360 nan 0.000 0.468 197 T N -1.642 113.014 114.554 0.170 0.000 4.022 197 T HA 0.308 4.658 4.350 -0.001 0.000 0.347 197 T C 0.407 175.164 174.700 0.094 0.000 1.227 197 T CA -0.333 61.838 62.100 0.118 0.000 0.898 197 T CB 0.445 69.405 68.868 0.152 0.000 2.033 197 T HN -0.102 nan 8.240 nan 0.000 0.525 198 L N -0.032 121.199 121.223 0.013 0.000 2.298 198 L HA 0.681 5.020 4.340 -0.001 0.000 0.268 198 L C 1.205 178.005 176.870 -0.116 0.000 1.010 198 L CA -0.399 54.367 54.840 -0.123 0.000 0.812 198 L CB 0.635 42.527 42.059 -0.279 0.000 1.331 198 L HN 1.003 nan 8.230 nan 0.000 0.450 199 G N -0.398 108.312 108.800 -0.150 0.000 2.391 199 G HA2 0.107 4.066 3.960 -0.001 0.000 0.234 199 G HA3 0.107 4.066 3.960 -0.001 0.000 0.234 199 G C 0.041 174.957 174.900 0.028 0.000 1.284 199 G CA -0.038 44.979 45.100 -0.139 0.000 0.873 199 G HN 0.381 nan 8.290 nan 0.000 0.549 200 F N 0.411 120.054 119.950 -0.511 0.000 2.727 200 F HA 0.277 4.804 4.527 -0.001 0.000 0.302 200 F C 0.117 175.508 175.800 -0.683 0.000 1.097 200 F CA -1.032 56.605 58.000 -0.605 0.000 1.330 200 F CB -0.310 38.228 39.000 -0.770 0.000 1.084 200 F HN 0.310 nan 8.300 nan 0.000 0.578 201 Y N 0.405 120.644 120.300 -0.100 0.000 2.334 201 Y HA 0.370 4.920 4.550 -0.001 0.000 0.336 201 Y C -1.694 173.975 175.900 -0.385 0.000 0.960 201 Y CA -3.051 54.760 58.100 -0.481 0.000 1.164 201 Y CB 0.752 38.787 38.460 -0.708 0.000 1.155 201 Y HN -0.177 nan 8.280 nan 0.000 0.478 202 P HA -0.155 nan 4.420 nan 0.000 0.215 202 P C 1.084 178.621 177.300 0.395 0.000 1.157 202 P CA 1.761 65.057 63.100 0.325 0.000 0.863 202 P CB -0.009 32.047 31.700 0.593 0.000 0.787 203 W N -0.915 120.553 121.300 0.280 0.000 2.848 203 W HA 0.118 4.777 4.660 -0.001 0.000 0.241 203 W C -0.012 176.606 176.519 0.165 0.000 1.289 203 W CA -0.039 57.425 57.345 0.198 0.000 1.396 203 W CB -0.671 28.884 29.460 0.159 0.000 1.138 203 W HN -0.252 nan 8.180 nan 0.000 0.677 204 K N 1.344 121.666 120.400 -0.131 0.000 2.244 204 K HA 0.372 4.692 4.320 -0.001 0.000 0.260 204 K C -2.296 174.266 176.600 -0.064 0.000 0.951 204 K CA -2.089 54.125 56.287 -0.122 0.000 0.826 204 K CB 1.541 33.917 32.500 -0.207 0.000 1.108 204 K HN -0.260 nan 8.250 nan 0.000 0.433 205 P HA 0.142 nan 4.420 nan 0.000 0.291 205 P C -0.141 177.091 177.300 -0.114 0.000 1.287 205 P CA -0.044 62.998 63.100 -0.098 0.000 0.767 205 P CB 0.524 32.154 31.700 -0.116 0.000 1.290 206 T N -2.547 111.925 114.554 -0.136 0.000 2.686 206 T HA 0.593 4.942 4.350 -0.001 0.000 0.308 206 T C -1.719 172.902 174.700 -0.130 0.000 1.667 206 T CA -0.631 61.391 62.100 -0.131 0.000 0.987 206 T CB 0.013 68.802 68.868 -0.132 0.000 1.652 206 T HN 0.322 nan 8.240 nan 0.000 0.496 207 I N -0.370 120.141 120.570 -0.099 0.000 3.279 207 I HA 0.948 5.118 4.170 -0.001 0.000 0.315 207 I C -0.500 175.590 176.117 -0.044 0.000 1.187 207 I CA -1.776 59.489 61.300 -0.059 0.000 0.953 207 I CB 1.669 39.659 38.000 -0.017 0.000 1.279 207 I HN 0.810 nan 8.210 nan 0.000 0.465 208 A N 1.413 124.231 122.820 -0.004 0.000 2.312 208 A HA 0.653 4.972 4.320 -0.001 0.000 0.328 208 A C -0.126 177.467 177.584 0.016 0.000 1.158 208 A CA -0.468 51.572 52.037 0.006 0.000 0.821 208 A CB 1.237 20.263 19.000 0.042 0.000 1.170 208 A HN 0.753 nan 8.150 nan 0.000 0.490 209 S N 1.818 117.521 115.700 0.005 0.000 2.565 209 S HA 0.509 4.978 4.470 -0.001 0.000 0.276 209 S C -2.561 172.033 174.600 -0.009 0.000 1.326 209 S CA -1.132 57.070 58.200 0.003 0.000 1.045 209 S CB 0.234 63.429 63.200 -0.008 0.000 0.918 209 S HN 0.456 nan 8.310 nan 0.000 0.505 210 P HA 0.176 nan 4.420 nan 0.000 0.278 210 P C -1.308 175.872 177.300 -0.199 0.000 1.238 210 P CA -0.400 62.590 63.100 -0.183 0.000 0.794 210 P CB 0.230 31.699 31.700 -0.385 0.000 0.955 211 Y N 4.506 124.631 120.300 -0.292 0.000 2.436 211 Y HA 0.230 4.779 4.550 -0.001 0.000 0.336 211 Y C 0.624 176.361 175.900 -0.272 0.000 1.049 211 Y CA 0.056 58.042 58.100 -0.190 0.000 1.294 211 Y CB 0.201 38.631 38.460 -0.051 0.000 1.179 211 Y HN 0.311 nan 8.280 nan 0.000 0.520 212 R N 5.671 125.823 120.500 -0.579 0.000 2.651 212 R HA 0.607 4.946 4.340 -0.001 0.000 0.278 212 R C -2.107 173.934 176.300 -0.432 0.000 1.010 212 R CA -1.051 54.767 56.100 -0.470 0.000 0.896 212 R CB 1.823 31.948 30.300 -0.291 0.000 1.211 212 R HN 0.611 nan 8.270 nan 0.000 0.456 213 Y N -0.817 119.221 120.300 -0.436 0.000 2.571 213 Y HA 0.503 5.052 4.550 -0.001 0.000 0.341 213 Y C -1.372 174.452 175.900 -0.127 0.000 1.076 213 Y CA -1.853 56.050 58.100 -0.327 0.000 1.029 213 Y CB 0.737 39.066 38.460 -0.219 0.000 1.308 213 Y HN 0.495 nan 8.280 nan 0.000 0.461 214 Y N 2.601 123.001 120.300 0.168 0.000 2.578 214 Y HA 0.271 4.820 4.550 -0.001 0.000 0.339 214 Y C -0.048 176.005 175.900 0.255 0.000 1.231 214 Y CA 0.304 58.496 58.100 0.153 0.000 1.461 214 Y CB 0.218 38.751 38.460 0.120 0.000 1.323 214 Y HN 0.663 nan 8.280 nan 0.000 0.590 215 F N 1.126 121.198 119.950 0.203 0.000 2.611 215 F HA 0.496 5.022 4.527 -0.001 0.000 0.324 215 F C -0.816 175.045 175.800 0.101 0.000 1.061 215 F CA -2.410 55.654 58.000 0.106 0.000 0.954 215 F CB 0.904 39.904 39.000 0.000 0.000 1.301 215 F HN 0.500 nan 8.300 nan 0.000 0.482 216 C N 4.534 123.411 119.300 -0.705 0.000 2.415 216 C HA 0.600 5.059 4.460 -0.001 0.000 0.369 216 C C 1.110 175.735 174.990 -0.608 0.000 1.279 216 C CA 0.338 59.031 59.018 -0.542 0.000 1.886 216 C CB -1.030 26.495 27.740 -0.359 0.000 2.468 216 C HN 0.671 nan 8.230 nan 0.000 0.553 217 V N 0.851 120.591 119.914 -0.290 0.000 3.278 217 V HA 0.542 4.661 4.120 -0.001 0.000 0.215 217 V C -0.164 175.858 176.094 -0.120 0.000 1.287 217 V CA 0.627 62.806 62.300 -0.201 0.000 1.302 217 V CB -0.622 31.123 31.823 -0.131 0.000 1.228 217 V HN 0.638 nan 8.190 nan 0.000 0.523 218 D N 0.813 121.162 120.400 -0.085 0.000 2.914 218 D HA -0.067 4.572 4.640 -0.001 0.000 0.221 218 D C -0.031 176.248 176.300 -0.036 0.000 1.012 218 D CA 0.507 54.477 54.000 -0.050 0.000 0.857 218 D CB -0.698 40.077 40.800 -0.042 0.000 0.972 218 D HN 0.617 nan 8.370 nan 0.000 0.427 219 R N 1.164 121.640 120.500 -0.039 0.000 2.531 219 R HA 0.497 4.836 4.340 -0.001 0.000 0.273 219 R C -0.604 175.683 176.300 -0.021 0.000 1.070 219 R CA -0.025 56.049 56.100 -0.043 0.000 1.112 219 R CB 1.075 31.331 30.300 -0.072 0.000 1.049 219 R HN 0.222 nan 8.270 nan 0.000 0.508 220 D N 2.346 122.733 120.400 -0.022 0.000 2.934 220 D HA 0.398 5.037 4.640 -0.001 0.000 0.230 220 D C -1.934 174.333 176.300 -0.054 0.000 1.204 220 D CA -0.613 53.367 54.000 -0.033 0.000 0.873 220 D CB 1.289 42.073 40.800 -0.027 0.000 1.645 220 D HN 0.287 nan 8.370 nan 0.000 0.502 221 L N 2.140 123.318 121.223 -0.075 0.000 2.482 221 L HA 0.650 4.990 4.340 -0.001 0.000 0.263 221 L C -1.138 175.666 176.870 -0.111 0.000 0.957 221 L CA -0.261 54.534 54.840 -0.076 0.000 0.836 221 L CB 2.109 44.158 42.059 -0.016 0.000 1.324 221 L HN 0.421 nan 8.230 nan 0.000 0.406 222 S N 2.044 117.665 115.700 -0.132 0.000 2.652 222 S HA 0.704 5.173 4.470 -0.001 0.000 0.270 222 S C -0.560 174.006 174.600 -0.055 0.000 1.243 222 S CA -0.630 57.502 58.200 -0.112 0.000 0.999 222 S CB 1.543 64.674 63.200 -0.115 0.000 0.973 222 S HN 0.481 nan 8.310 nan 0.000 0.544 223 V N 2.267 122.160 119.914 -0.035 0.000 2.509 223 V HA 0.654 4.774 4.120 -0.001 0.000 0.284 223 V C 0.317 176.412 176.094 0.003 0.000 1.047 223 V CA -0.488 61.805 62.300 -0.013 0.000 0.952 223 V CB 0.692 32.517 31.823 0.003 0.000 0.988 223 V HN 1.087 nan 8.190 nan 0.000 0.469 224 T N 1.526 116.082 114.554 0.004 0.000 2.821 224 T HA 0.740 5.089 4.350 -0.001 0.000 0.306 224 T C -1.187 173.532 174.700 0.031 0.000 1.313 224 T CA -0.819 61.261 62.100 -0.034 0.000 1.012 224 T CB 1.821 70.630 68.868 -0.099 0.000 1.298 224 T HN 0.783 nan 8.240 nan 0.000 0.502 225 Y N -1.162 119.115 120.300 -0.039 0.000 2.492 225 Y HA 0.753 5.303 4.550 -0.001 0.000 0.346 225 Y C 0.948 176.829 175.900 -0.032 0.000 0.997 225 Y CA -1.309 56.766 58.100 -0.042 0.000 1.025 225 Y CB 0.840 39.275 38.460 -0.042 0.000 1.263 225 Y HN 0.674 nan 8.280 nan 0.000 0.454 226 E N 1.413 121.670 120.200 0.096 0.000 3.385 226 E HA -0.399 3.950 4.350 -0.001 0.000 0.248 226 E C 0.380 176.950 176.600 -0.051 0.000 1.077 226 E CA 2.714 59.138 56.400 0.040 0.000 1.827 226 E CB -0.622 29.141 29.700 0.105 0.000 1.724 226 E HN 0.999 nan 8.360 nan 0.000 0.326 227 N N 0.056 118.711 118.700 -0.075 0.000 2.419 227 N HA 0.015 4.754 4.740 -0.001 0.000 0.216 227 N C 0.692 176.050 175.510 -0.254 0.000 1.118 227 N CA 0.738 53.709 53.050 -0.131 0.000 0.850 227 N CB 1.054 39.504 38.487 -0.062 0.000 1.292 227 N HN 0.320 nan 8.380 nan 0.000 0.467 228 Q N 0.547 120.111 119.800 -0.394 0.000 0.649 228 Q HA -0.253 4.086 4.340 -0.001 0.000 0.360 228 Q C -1.173 174.692 176.000 -0.225 0.000 1.072 228 Q CA 1.294 56.777 55.803 -0.533 0.000 0.348 228 Q CB -0.363 27.883 28.738 -0.821 0.000 5.452 228 Q HN 0.275 nan 8.270 nan 0.000 0.368 229 E N -1.293 118.802 120.200 -0.174 0.000 2.312 229 E HA 0.626 4.975 4.350 -0.001 0.000 0.267 229 E C -0.244 176.308 176.600 -0.079 0.000 0.894 229 E CA -0.203 56.137 56.400 -0.100 0.000 0.773 229 E CB 1.853 31.521 29.700 -0.052 0.000 1.241 229 E HN 0.928 nan 8.360 nan 0.000 0.432 230 G N 0.766 109.531 108.800 -0.057 0.000 2.428 230 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.202 230 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.202 230 G C -0.438 174.436 174.900 -0.043 0.000 1.247 230 G CA -0.388 44.689 45.100 -0.039 0.000 1.020 230 G HN 0.669 nan 8.290 nan 0.000 0.529 231 T N -1.724 112.813 114.554 -0.027 0.000 2.910 231 T HA 0.651 5.000 4.350 -0.001 0.000 0.287 231 T C 1.534 176.225 174.700 -0.014 0.000 1.050 231 T CA -0.079 62.008 62.100 -0.022 0.000 1.011 231 T CB 1.502 70.365 68.868 -0.008 0.000 1.195 231 T HN 1.627 nan 8.240 nan 0.000 0.540 232 I N -0.939 119.626 120.570 -0.009 0.000 3.535 232 I HA 0.109 4.279 4.170 -0.001 0.000 0.307 232 I C 1.268 177.408 176.117 0.039 0.000 1.200 232 I CA -0.101 61.198 61.300 -0.002 0.000 1.193 232 I CB -1.235 36.760 38.000 -0.008 0.000 1.003 232 I HN 0.719 nan 8.210 nan 0.000 0.505 233 E N 2.165 122.410 120.200 0.075 0.000 3.442 233 E HA -0.327 4.023 4.350 -0.001 0.000 0.345 233 E C -0.052 176.757 176.600 0.348 0.000 1.218 233 E CA 2.609 59.125 56.400 0.194 0.000 1.674 233 E CB -0.824 29.006 29.700 0.217 0.000 1.582 233 E HN 0.878 nan 8.360 nan 0.000 0.332 234 H N -0.670 118.403 119.070 0.005 0.000 2.954 234 H HA 0.414 4.970 4.556 -0.001 0.000 0.361 234 H C -0.722 174.621 175.328 0.026 0.000 1.122 234 H CA -0.843 55.213 56.048 0.013 0.000 1.217 234 H CB 0.824 30.593 29.762 0.013 0.000 1.776 234 H HN 0.180 nan 8.280 nan 0.000 0.533 235 N N 2.851 121.609 118.700 0.097 0.000 2.976 235 N HA 0.226 4.965 4.740 -0.001 0.000 0.255 235 N C -1.021 174.577 175.510 0.148 0.000 1.312 235 N CA -0.105 52.992 53.050 0.079 0.000 0.897 235 N CB 0.458 38.990 38.487 0.076 0.000 1.184 235 N HN 0.343 nan 8.380 nan 0.000 0.497 236 V N 2.353 122.341 119.914 0.124 0.000 2.973 236 V HA 0.390 4.509 4.120 -0.001 0.000 0.314 236 V C 1.055 177.206 176.094 0.094 0.000 1.066 236 V CA -0.536 61.845 62.300 0.134 0.000 1.021 236 V CB 1.773 33.665 31.823 0.114 0.000 1.076 236 V HN 0.506 nan 8.190 nan 0.000 0.462 237 M N 0.969 120.617 119.600 0.080 0.000 3.093 237 M HA 0.745 5.224 4.480 -0.001 0.000 0.193 237 M C 0.559 176.850 176.300 -0.015 0.000 1.571 237 M CA 1.333 56.625 55.300 -0.014 0.000 1.464 237 M CB 0.590 33.197 32.600 0.011 0.000 0.940 237 M HN 1.144 nan 8.290 nan 0.000 0.561 238 G N -0.238 108.562 108.800 0.001 0.000 2.392 238 G HA2 0.248 4.207 3.960 -0.001 0.000 0.677 238 G HA3 0.248 4.207 3.960 -0.001 0.000 0.677 238 G C -0.756 174.126 174.900 -0.030 0.000 1.334 238 G CA -0.373 44.718 45.100 -0.015 0.000 0.961 238 G HN 0.853 nan 8.290 nan 0.000 0.616 239 T N -0.882 113.651 114.554 -0.035 0.000 2.942 239 T HA 0.860 5.209 4.350 -0.001 0.000 0.289 239 T C -2.472 172.182 174.700 -0.075 0.000 1.044 239 T CA -1.250 60.828 62.100 -0.037 0.000 1.023 239 T CB 2.346 71.206 68.868 -0.013 0.000 1.123 239 T HN 0.749 nan 8.240 nan 0.000 0.512 240 P HA 0.209 nan 4.420 nan 0.000 0.267 240 P C -0.853 176.409 177.300 -0.063 0.000 1.205 240 P CA -0.271 62.756 63.100 -0.122 0.000 0.765 240 P CB 0.593 32.323 31.700 0.050 0.000 0.828 241 K N 1.674 122.016 120.400 -0.096 0.000 2.183 241 K HA 0.327 4.646 4.320 -0.001 0.000 0.274 241 K C 1.735 178.341 176.600 0.011 0.000 1.009 241 K CA -0.393 55.873 56.287 -0.036 0.000 0.888 241 K CB 1.031 33.502 32.500 -0.049 0.000 1.078 241 K HN 0.535 nan 8.250 nan 0.000 0.459 242 G N 3.437 112.254 108.800 0.028 0.000 2.476 242 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.218 242 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.218 242 G C 1.201 176.132 174.900 0.052 0.000 1.164 242 G CA 0.940 46.068 45.100 0.047 0.000 0.768 242 G HN 0.598 nan 8.290 nan 0.000 0.560 243 M N 0.427 120.049 119.600 0.037 0.000 2.374 243 M HA 0.023 4.503 4.480 -0.001 0.000 0.264 243 M C 0.873 177.203 176.300 0.051 0.000 1.067 243 M CA 0.841 56.166 55.300 0.041 0.000 1.103 243 M CB 0.050 32.667 32.600 0.029 0.000 1.402 243 M HN 0.123 nan 8.290 nan 0.000 0.444 244 N N -0.571 118.158 118.700 0.048 0.000 2.241 244 N HA 0.134 4.873 4.740 -0.001 0.000 0.238 244 N C -0.690 174.898 175.510 0.130 0.000 1.244 244 N CA 0.023 53.112 53.050 0.064 0.000 0.880 244 N CB 0.784 39.283 38.487 0.020 0.000 1.179 244 N HN -0.054 nan 8.380 nan 0.000 0.513 245 S N 1.137 116.949 115.700 0.187 0.000 2.481 245 S HA 0.220 4.689 4.470 -0.001 0.000 0.276 245 S C 0.201 174.986 174.600 0.309 0.000 1.247 245 S CA -0.107 58.357 58.200 0.439 0.000 1.053 245 S CB 1.057 64.486 63.200 0.381 0.000 0.925 245 S HN 0.145 nan 8.310 nan 0.000 0.491 246 Q N 2.521 122.525 119.800 0.341 0.000 2.397 246 Q HA 0.331 4.670 4.340 -0.001 0.000 0.260 246 Q C -1.652 174.156 176.000 -0.319 0.000 1.002 246 Q CA -0.343 55.417 55.803 -0.071 0.000 0.716 246 Q CB 1.289 29.987 28.738 -0.067 0.000 1.258 246 Q HN 0.649 nan 8.270 nan 0.000 0.477 247 F N 4.406 124.025 119.950 -0.552 0.000 2.403 247 F HA 0.536 5.063 4.527 -0.001 0.000 0.355 247 F C -1.685 173.872 175.800 -0.404 0.000 1.119 247 F CA -1.006 56.713 58.000 -0.468 0.000 1.007 247 F CB 0.398 39.181 39.000 -0.360 0.000 1.194 247 F HN 0.271 nan 8.300 nan 0.000 0.443 248 F N 2.146 121.938 119.950 -0.263 0.000 2.461 248 F HA 0.720 5.246 4.527 -0.001 0.000 0.337 248 F C 0.526 175.917 175.800 -0.682 0.000 1.079 248 F CA -1.177 56.542 58.000 -0.468 0.000 1.032 248 F CB 1.487 40.327 39.000 -0.267 0.000 1.327 248 F HN 0.364 nan 8.300 nan 0.000 0.491 249 T N 0.965 115.380 114.554 -0.231 0.000 3.483 249 T HA 0.331 4.680 4.350 -0.001 0.000 0.329 249 T C 0.779 175.417 174.700 -0.102 0.000 1.014 249 T CA -0.625 61.307 62.100 -0.280 0.000 1.056 249 T CB 0.288 68.808 68.868 -0.580 0.000 1.090 249 T HN 0.343 nan 8.240 nan 0.000 0.460 250 I N 3.259 123.804 120.570 -0.040 0.000 2.182 250 I HA -0.190 3.979 4.170 -0.001 0.000 0.248 250 I C 2.129 178.066 176.117 -0.300 0.000 1.073 250 I CA 1.745 62.807 61.300 -0.397 0.000 1.335 250 I CB -1.329 35.986 38.000 -1.142 0.000 1.031 250 I HN 0.711 nan 8.210 nan 0.000 0.420 251 E N 0.630 120.779 120.200 -0.086 0.000 2.268 251 E HA -0.146 4.203 4.350 -0.001 0.000 0.195 251 E C 1.400 177.965 176.600 -0.058 0.000 0.995 251 E CA 0.793 57.185 56.400 -0.014 0.000 0.836 251 E CB -0.300 29.475 29.700 0.126 0.000 0.763 251 E HN 0.563 nan 8.360 nan 0.000 0.491 252 N N -1.455 117.185 118.700 -0.099 0.000 2.214 252 N HA 0.044 4.783 4.740 -0.001 0.000 0.214 252 N C 0.474 175.910 175.510 -0.123 0.000 1.132 252 N CA 0.672 53.664 53.050 -0.097 0.000 0.856 252 N CB 0.906 39.330 38.487 -0.104 0.000 1.020 252 N HN 0.179 nan 8.380 nan 0.000 0.509 253 T N -4.428 110.029 114.554 -0.161 0.000 3.010 253 T HA 0.254 4.603 4.350 -0.001 0.000 0.252 253 T C 0.654 175.239 174.700 -0.190 0.000 0.963 253 T CA 0.032 62.015 62.100 -0.195 0.000 0.952 253 T CB 0.493 69.204 68.868 -0.261 0.000 1.182 253 T HN -0.198 nan 8.240 nan 0.000 0.495 254 Q N 0.839 120.516 119.800 -0.205 0.000 2.333 254 Q HA 0.582 4.921 4.340 -0.001 0.000 0.266 254 Q C -1.110 174.805 176.000 -0.142 0.000 1.053 254 Q CA -0.614 55.073 55.803 -0.194 0.000 0.890 254 Q CB 1.603 30.178 28.738 -0.272 0.000 1.337 254 Q HN 0.371 nan 8.270 nan 0.000 0.474 255 Q N 0.945 120.677 119.800 -0.115 0.000 2.368 255 Q HA 0.450 4.789 4.340 -0.001 0.000 0.256 255 Q C -0.704 175.251 176.000 -0.075 0.000 0.980 255 Q CA -0.174 55.588 55.803 -0.068 0.000 0.887 255 Q CB 0.950 29.667 28.738 -0.035 0.000 1.221 255 Q HN 0.473 nan 8.270 nan 0.000 0.458 256 I N 1.873 122.411 120.570 -0.053 0.000 2.396 256 I HA 0.242 4.411 4.170 -0.001 0.000 0.292 256 I C 0.137 176.253 176.117 -0.001 0.000 0.999 256 I CA -0.253 61.030 61.300 -0.029 0.000 1.310 256 I CB 1.409 39.443 38.000 0.058 0.000 1.404 256 I HN 0.395 nan 8.210 nan 0.000 0.496 257 T N 6.706 121.243 114.554 -0.029 0.000 2.823 257 T HA 0.502 4.851 4.350 -0.001 0.000 0.279 257 T C -0.327 174.372 174.700 -0.002 0.000 0.998 257 T CA -0.555 61.545 62.100 0.000 0.000 0.994 257 T CB 1.370 70.252 68.868 0.022 0.000 0.960 257 T HN 0.092 nan 8.240 nan 0.000 0.448 258 L N 3.325 124.560 121.223 0.021 0.000 2.312 258 L HA 0.510 4.849 4.340 -0.001 0.000 0.281 258 L C -0.369 176.510 176.870 0.016 0.000 1.070 258 L CA -0.133 54.715 54.840 0.013 0.000 0.805 258 L CB 0.686 42.754 42.059 0.016 0.000 1.174 258 L HN 0.513 nan 8.230 nan 0.000 0.434 259 L N 4.431 125.653 121.223 -0.001 0.000 2.372 259 L HA 0.529 4.868 4.340 -0.001 0.000 0.274 259 L C 0.255 177.128 176.870 0.006 0.000 0.988 259 L CA -0.492 54.354 54.840 0.011 0.000 0.833 259 L CB 1.624 43.678 42.059 -0.007 0.000 1.236 259 L HN 0.642 nan 8.230 nan 0.000 0.410 260 R N 0.506 121.018 120.500 0.020 0.000 2.603 260 R HA 0.414 4.753 4.340 -0.001 0.000 0.225 260 R C 1.031 177.349 176.300 0.030 0.000 1.300 260 R CA -0.550 55.560 56.100 0.015 0.000 1.075 260 R CB 0.783 31.092 30.300 0.016 0.000 1.663 260 R HN 0.503 nan 8.270 nan 0.000 0.546 261 T N -0.231 114.340 114.554 0.029 0.000 2.746 261 T HA -0.128 4.221 4.350 -0.001 0.000 0.267 261 T C 1.601 176.339 174.700 0.064 0.000 1.039 261 T CA 1.619 63.745 62.100 0.044 0.000 1.142 261 T CB -0.364 68.526 68.868 0.036 0.000 0.866 261 T HN 0.802 nan 8.240 nan 0.000 0.444 262 G N 1.243 110.075 108.800 0.053 0.000 2.880 262 G HA2 0.040 3.999 3.960 -0.001 0.000 0.209 262 G HA3 0.040 3.999 3.960 -0.001 0.000 0.209 262 G C 0.346 175.285 174.900 0.064 0.000 1.157 262 G CA -0.165 44.969 45.100 0.057 0.000 0.779 262 G HN 0.365 nan 8.290 nan 0.000 0.539 263 D N 0.486 120.926 120.400 0.067 0.000 2.414 263 D HA 0.451 5.090 4.640 -0.001 0.000 0.259 263 D C 0.284 176.651 176.300 0.111 0.000 1.269 263 D CA 0.349 54.395 54.000 0.076 0.000 1.028 263 D CB 1.112 41.954 40.800 0.070 0.000 1.093 263 D HN 0.408 nan 8.370 nan 0.000 0.545 264 E N -0.930 119.346 120.200 0.126 0.000 2.388 264 E HA 0.463 4.812 4.350 -0.001 0.000 0.281 264 E C -2.099 174.620 176.600 0.198 0.000 1.046 264 E CA -0.859 55.647 56.400 0.176 0.000 0.825 264 E CB 0.743 30.530 29.700 0.145 0.000 1.243 264 E HN 0.253 nan 8.360 nan 0.000 0.438 265 F N 1.828 121.818 119.950 0.066 0.000 2.563 265 F HA 0.908 5.434 4.527 -0.001 0.000 0.316 265 F C -1.490 174.334 175.800 0.040 0.000 1.076 265 F CA -0.202 57.818 58.000 0.034 0.000 0.921 265 F CB 2.204 41.211 39.000 0.011 0.000 1.209 265 F HN 0.889 nan 8.300 nan 0.000 0.462 266 A N 3.482 125.604 122.820 -1.164 0.000 2.488 266 A HA 0.566 4.885 4.320 -0.001 0.000 0.298 266 A C -0.562 176.531 177.584 -0.819 0.000 1.044 266 A CA -0.590 51.022 52.037 -0.708 0.000 0.693 266 A CB 1.230 20.019 19.000 -0.351 0.000 1.272 266 A HN 0.742 nan 8.150 nan 0.000 0.402 267 T N 0.927 115.280 114.554 -0.335 0.000 2.663 267 T HA 0.390 4.739 4.350 -0.001 0.000 0.325 267 T C 1.481 176.085 174.700 -0.161 0.000 1.059 267 T CA 1.100 63.126 62.100 -0.124 0.000 1.039 267 T CB 0.488 69.379 68.868 0.037 0.000 0.996 267 T HN 1.076 nan 8.240 nan 0.000 0.539 268 G N 0.038 108.771 108.800 -0.111 0.000 3.197 268 G HA2 0.405 4.365 3.960 -0.001 0.000 0.167 268 G HA3 0.405 4.365 3.960 -0.001 0.000 0.167 268 G C -0.669 174.135 174.900 -0.161 0.000 1.914 268 G CA 0.028 45.042 45.100 -0.143 0.000 0.956 268 G HN 0.721 nan 8.290 nan 0.000 0.480 269 T N -0.596 113.823 114.554 -0.226 0.000 3.755 269 T HA 0.214 4.563 4.350 -0.001 0.000 0.327 269 T C -1.617 172.793 174.700 -0.483 0.000 0.801 269 T CA -0.422 61.504 62.100 -0.290 0.000 1.026 269 T CB 0.831 69.510 68.868 -0.315 0.000 1.040 269 T HN 0.408 nan 8.240 nan 0.000 0.470 270 Y N 3.390 123.423 120.300 -0.446 0.000 2.359 270 Y HA 0.507 5.056 4.550 -0.001 0.000 0.330 270 Y C -1.088 174.530 175.900 -0.469 0.000 1.143 270 Y CA -0.410 57.378 58.100 -0.519 0.000 1.318 270 Y CB 0.461 38.606 38.460 -0.525 0.000 1.234 270 Y HN 0.500 nan 8.280 nan 0.000 0.522 271 Y N 6.358 125.985 120.300 -1.121 0.000 2.331 271 Y HA 0.302 4.852 4.550 -0.001 0.000 0.338 271 Y C -0.838 174.356 175.900 -1.177 0.000 0.976 271 Y CA -1.691 55.894 58.100 -0.859 0.000 1.137 271 Y CB 0.282 38.432 38.460 -0.517 0.000 1.172 271 Y HN 0.483 nan 8.280 nan 0.000 0.478 272 F N 2.394 122.108 119.950 -0.394 0.000 2.456 272 F HA 0.162 4.688 4.527 -0.001 0.000 0.358 272 F C 0.594 176.259 175.800 -0.226 0.000 1.095 272 F CA -0.288 57.534 58.000 -0.296 0.000 1.216 272 F CB 0.658 39.516 39.000 -0.236 0.000 1.125 272 F HN 0.372 nan 8.300 nan 0.000 0.549 273 D N 2.813 123.229 120.400 0.027 0.000 2.458 273 D HA 0.252 4.891 4.640 -0.001 0.000 0.258 273 D C -0.558 175.789 176.300 0.079 0.000 1.134 273 D CA -0.179 53.825 54.000 0.006 0.000 0.915 273 D CB 0.285 41.066 40.800 -0.031 0.000 1.028 273 D HN 0.568 nan 8.370 nan 0.000 0.508 274 T N -0.016 114.581 114.554 0.071 0.000 2.838 274 T HA 0.522 4.871 4.350 -0.001 0.000 0.292 274 T C -0.253 174.505 174.700 0.097 0.000 1.113 274 T CA -1.110 61.055 62.100 0.108 0.000 1.008 274 T CB 1.290 70.230 68.868 0.120 0.000 1.259 274 T HN 0.029 nan 8.240 nan 0.000 0.520 275 N N 2.735 121.533 118.700 0.163 0.000 2.438 275 N HA 0.421 5.160 4.740 -0.001 0.000 0.282 275 N C -2.436 173.240 175.510 0.277 0.000 1.037 275 N CA -1.371 51.763 53.050 0.139 0.000 0.942 275 N CB 1.566 40.085 38.487 0.053 0.000 1.136 275 N HN 0.560 nan 8.380 nan 0.000 0.481 276 P HA 0.039 nan 4.420 nan 0.000 0.270 276 P C -0.577 176.873 177.300 0.250 0.000 1.223 276 P CA -0.140 63.142 63.100 0.304 0.000 0.785 276 P CB 0.997 32.803 31.700 0.177 0.000 0.923 277 V N 3.044 123.124 119.914 0.275 0.000 2.448 277 V HA 0.210 4.329 4.120 -0.001 0.000 0.295 277 V C 0.733 176.891 176.094 0.107 0.000 1.025 277 V CA -0.855 61.525 62.300 0.134 0.000 0.859 277 V CB 1.424 33.266 31.823 0.032 0.000 0.988 277 V HN 0.483 nan 8.190 nan 0.000 0.431 278 K N 4.103 124.551 120.400 0.080 0.000 2.336 278 K HA 0.341 4.660 4.320 -0.001 0.000 0.262 278 K C -0.092 176.537 176.600 0.048 0.000 0.992 278 K CA -0.007 56.313 56.287 0.055 0.000 0.927 278 K CB 0.834 33.364 32.500 0.050 0.000 0.956 278 K HN 0.521 nan 8.250 nan 0.000 0.495 279 L N 2.133 123.371 121.223 0.024 0.000 3.096 279 L HA 0.153 4.492 4.340 -0.001 0.000 0.272 279 L C -0.267 176.629 176.870 0.044 0.000 1.311 279 L CA -0.317 54.528 54.840 0.009 0.000 0.943 279 L CB 0.365 42.390 42.059 -0.056 0.000 1.348 279 L HN 0.682 nan 8.230 nan 0.000 0.562 280 T N -3.911 110.689 114.554 0.077 0.000 2.993 280 T HA 0.414 4.763 4.350 -0.001 0.000 0.312 280 T C -0.449 174.328 174.700 0.129 0.000 1.115 280 T CA -0.824 61.337 62.100 0.102 0.000 1.027 280 T CB 1.971 70.855 68.868 0.027 0.000 1.116 280 T HN 0.229 nan 8.240 nan 0.000 0.464 281 H N 1.009 120.132 119.070 0.088 0.000 2.499 281 H HA 0.785 5.341 4.556 -0.001 0.000 0.352 281 H C 0.026 175.441 175.328 0.144 0.000 1.237 281 H CA -0.465 55.622 56.048 0.066 0.000 1.343 281 H CB 0.831 30.589 29.762 -0.007 0.000 1.578 281 H HN 0.891 nan 8.280 nan 0.000 0.577 282 T N -2.293 112.331 114.554 0.117 0.000 2.841 282 T HA 0.368 4.717 4.350 -0.001 0.000 0.276 282 T C 0.540 175.490 174.700 0.415 0.000 1.003 282 T CA -0.481 61.701 62.100 0.138 0.000 0.995 282 T CB 1.843 70.734 68.868 0.038 0.000 1.260 282 T HN 0.924 nan 8.240 nan 0.000 0.581 283 W N -1.530 119.886 121.300 0.195 0.000 4.423 283 W HA 0.263 4.922 4.660 -0.001 0.000 0.172 283 W C -0.167 176.466 176.519 0.189 0.000 1.081 283 W CA -0.469 57.045 57.345 0.282 0.000 1.641 283 W CB -0.328 29.283 29.460 0.251 0.000 0.580 283 W HN 0.582 nan 8.180 nan 0.000 0.989 284 Q N 2.776 122.193 119.800 -0.638 0.000 2.349 284 Q HA 0.288 4.627 4.340 -0.001 0.000 0.287 284 Q C -0.116 175.774 176.000 -0.183 0.000 1.044 284 Q CA 1.114 56.464 55.803 -0.755 0.000 0.918 284 Q CB 0.917 29.075 28.738 -0.966 0.000 1.242 284 Q HN -0.112 nan 8.270 nan 0.000 0.405 285 T N 0.420 114.943 114.554 -0.052 0.000 2.888 285 T HA 0.176 4.525 4.350 -0.001 0.000 0.288 285 T C 0.967 175.654 174.700 -0.022 0.000 1.063 285 T CA -0.925 61.183 62.100 0.012 0.000 1.010 285 T CB 0.998 69.916 68.868 0.083 0.000 1.214 285 T HN 0.560 nan 8.240 nan 0.000 0.533 286 N N 0.417 119.113 118.700 -0.007 0.000 2.182 286 N HA -0.181 4.558 4.740 -0.001 0.000 0.192 286 N C 1.639 177.139 175.510 -0.016 0.000 1.007 286 N CA 1.049 54.083 53.050 -0.026 0.000 0.873 286 N CB 0.049 38.535 38.487 -0.001 0.000 0.998 286 N HN 0.266 nan 8.380 nan 0.000 0.436 287 R N 0.785 121.298 120.500 0.021 0.000 2.189 287 R HA -0.019 4.320 4.340 -0.001 0.000 0.218 287 R C 0.224 176.551 176.300 0.045 0.000 1.074 287 R CA 0.773 56.898 56.100 0.042 0.000 0.991 287 R CB 0.068 30.410 30.300 0.070 0.000 0.883 287 R HN 0.408 nan 8.270 nan 0.000 0.457 288 Q N 0.429 120.247 119.800 0.030 0.000 2.773 288 Q HA 0.364 4.703 4.340 -0.001 0.000 0.373 288 Q C -0.852 175.119 176.000 -0.049 0.000 0.940 288 Q CA 0.075 55.903 55.803 0.043 0.000 1.015 288 Q CB 0.960 29.788 28.738 0.151 0.000 1.349 288 Q HN -0.028 nan 8.270 nan 0.000 0.413 289 L N 0.998 122.179 121.223 -0.069 0.000 2.384 289 L HA 0.766 5.105 4.340 -0.001 0.000 0.261 289 L C 0.580 177.415 176.870 -0.059 0.000 1.024 289 L CA -0.581 54.162 54.840 -0.162 0.000 0.899 289 L CB 0.633 42.496 42.059 -0.327 0.000 1.243 289 L HN 0.675 nan 8.230 nan 0.000 0.449 290 G N 2.532 111.402 108.800 0.116 0.000 2.513 290 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.227 290 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.227 290 G C -0.220 174.752 174.900 0.121 0.000 1.176 290 G CA -0.449 44.772 45.100 0.202 0.000 0.967 290 G HN 0.543 nan 8.290 nan 0.000 0.587 291 Q N 2.558 122.419 119.800 0.102 0.000 2.318 291 Q HA 0.436 4.776 4.340 -0.001 0.000 0.270 291 Q C -1.941 174.097 176.000 0.064 0.000 1.237 291 Q CA -0.268 55.580 55.803 0.075 0.000 0.937 291 Q CB -0.046 28.731 28.738 0.065 0.000 1.375 291 Q HN 0.448 nan 8.270 nan 0.000 0.452 292 P HA 0.130 nan 4.420 nan 0.000 0.269 292 P C -2.432 174.897 177.300 0.050 0.000 1.209 292 P CA -0.936 62.198 63.100 0.056 0.000 0.776 292 P CB 0.311 32.042 31.700 0.053 0.000 0.876 293 P HA 0.001 nan 4.420 nan 0.000 0.269 293 P C -0.501 176.827 177.300 0.046 0.000 1.217 293 P CA -0.093 63.039 63.100 0.054 0.000 0.783 293 P CB 0.325 32.059 31.700 0.057 0.000 0.898 294 L N 2.845 124.104 121.223 0.059 0.000 2.367 294 L HA 0.200 4.539 4.340 -0.001 0.000 0.275 294 L C -0.204 176.702 176.870 0.061 0.000 1.129 294 L CA -0.016 54.862 54.840 0.063 0.000 0.839 294 L CB -0.380 41.727 42.059 0.079 0.000 1.133 294 L HN 0.319 nan 8.230 nan 0.000 0.453 295 L N 4.455 125.706 121.223 0.047 0.000 2.371 295 L HA 0.171 4.511 4.340 -0.001 0.000 0.272 295 L C 1.154 178.126 176.870 0.170 0.000 1.124 295 L CA -0.070 54.790 54.840 0.034 0.000 0.816 295 L CB 1.430 43.389 42.059 -0.167 0.000 1.129 295 L HN 0.823 nan 8.230 nan 0.000 0.448 296 S N -1.238 114.561 115.700 0.165 0.000 2.593 296 S HA 0.135 4.604 4.470 -0.001 0.000 0.235 296 S C 0.538 175.284 174.600 0.243 0.000 1.059 296 S CA -0.305 58.012 58.200 0.194 0.000 0.953 296 S CB 0.681 63.950 63.200 0.116 0.000 0.897 296 S HN 0.569 nan 8.310 nan 0.000 0.507 297 T N 3.031 117.722 114.554 0.229 0.000 2.812 297 T HA 0.654 5.003 4.350 -0.001 0.000 0.282 297 T C -1.643 173.226 174.700 0.280 0.000 0.990 297 T CA -0.258 61.980 62.100 0.231 0.000 0.960 297 T CB 0.789 69.722 68.868 0.108 0.000 0.948 297 T HN 0.134 nan 8.240 nan 0.000 0.438 298 F N 3.626 123.580 119.950 0.007 0.000 2.427 298 F HA 0.462 4.988 4.527 -0.001 0.000 0.346 298 F C -1.822 173.979 175.800 0.001 0.000 1.120 298 F CA -2.624 55.378 58.000 0.004 0.000 1.033 298 F CB 0.687 39.689 39.000 0.002 0.000 1.126 298 F HN 0.340 nan 8.300 nan 0.000 0.462 299 P HA -0.000 nan 4.420 nan 0.000 0.266 299 P C 0.416 177.764 177.300 0.080 0.000 1.186 299 P CA 0.269 63.402 63.100 0.056 0.000 0.767 299 P CB 0.933 32.635 31.700 0.004 0.000 0.820 300 E N 0.463 120.694 120.200 0.051 0.000 2.162 300 E HA 0.183 4.532 4.350 -0.001 0.000 0.193 300 E C 0.488 177.106 176.600 0.029 0.000 0.953 300 E CA 0.655 57.081 56.400 0.043 0.000 0.849 300 E CB 0.183 29.902 29.700 0.032 0.000 0.810 300 E HN 0.514 nan 8.360 nan 0.000 0.470 301 A N 0.751 123.583 122.820 0.019 0.000 2.479 301 A HA 0.349 4.669 4.320 -0.001 0.000 0.296 301 A C -0.261 177.326 177.584 0.005 0.000 1.121 301 A CA -0.566 51.477 52.037 0.011 0.000 0.743 301 A CB 0.957 19.962 19.000 0.008 0.000 1.323 301 A HN -0.153 nan 8.150 nan 0.000 0.415 302 D N 0.916 121.316 120.400 0.000 0.000 2.417 302 D HA -0.112 4.527 4.640 -0.001 0.000 0.225 302 D C 1.656 177.951 176.300 -0.008 0.000 0.983 302 D CA 1.897 55.893 54.000 -0.006 0.000 0.949 302 D CB -0.213 40.583 40.800 -0.007 0.000 0.879 302 D HN 0.716 nan 8.370 nan 0.000 0.520 303 T N -1.338 113.214 114.554 -0.005 0.000 3.401 303 T HA -0.069 4.280 4.350 -0.001 0.000 0.225 303 T C 0.758 175.455 174.700 -0.007 0.000 0.961 303 T CA -0.267 61.830 62.100 -0.006 0.000 1.429 303 T CB -0.380 68.486 68.868 -0.003 0.000 1.213 303 T HN 0.018 nan 8.240 nan 0.000 0.440 304 D N 2.756 123.155 120.400 -0.002 0.000 2.443 304 D HA 0.341 4.981 4.640 -0.001 0.000 0.234 304 D C 0.203 176.499 176.300 -0.007 0.000 1.172 304 D CA -0.065 53.934 54.000 -0.002 0.000 0.878 304 D CB 0.563 41.366 40.800 0.005 0.000 1.204 304 D HN 0.695 nan 8.370 nan 0.000 0.453 305 A N 1.101 123.915 122.820 -0.010 0.000 2.420 305 A HA 0.769 5.088 4.320 -0.001 0.000 0.291 305 A C 0.400 177.971 177.584 -0.021 0.000 1.228 305 A CA -0.212 51.812 52.037 -0.021 0.000 0.933 305 A CB 0.778 19.765 19.000 -0.021 0.000 1.428 305 A HN 0.718 nan 8.150 nan 0.000 0.493 306 G N -1.794 106.981 108.800 -0.043 0.000 2.597 306 G HA2 0.590 4.549 3.960 -0.001 0.000 0.317 306 G HA3 0.590 4.549 3.960 -0.001 0.000 0.317 306 G C -0.287 174.598 174.900 -0.024 0.000 1.230 306 G CA 0.260 45.332 45.100 -0.046 0.000 0.996 306 G HN 1.313 nan 8.290 nan 0.000 0.490 307 T N -1.904 112.649 114.554 -0.002 0.000 2.916 307 T HA 0.729 5.078 4.350 -0.001 0.000 0.292 307 T C 0.175 174.890 174.700 0.024 0.000 1.064 307 T CA -0.765 61.343 62.100 0.014 0.000 1.011 307 T CB 1.319 70.204 68.868 0.029 0.000 1.152 307 T HN 0.358 nan 8.240 nan 0.000 0.510 308 L N 0.191 121.433 121.223 0.032 0.000 2.805 308 L HA 0.629 4.968 4.340 -0.001 0.000 0.242 308 L C 0.677 177.582 176.870 0.057 0.000 1.180 308 L CA -1.317 53.551 54.840 0.046 0.000 1.001 308 L CB 0.506 42.593 42.059 0.048 0.000 1.864 308 L HN 0.662 nan 8.230 nan 0.000 0.551 309 T N -0.144 114.450 114.554 0.066 0.000 2.944 309 T HA 0.496 4.845 4.350 -0.001 0.000 0.284 309 T C -0.121 174.613 174.700 0.057 0.000 1.010 309 T CA -0.495 61.644 62.100 0.066 0.000 1.025 309 T CB 1.549 70.467 68.868 0.084 0.000 1.079 309 T HN 0.620 nan 8.240 nan 0.000 0.516 310 A N 1.911 124.759 122.820 0.046 0.000 2.573 310 A HA 0.013 4.332 4.320 -0.001 0.000 0.250 310 A C 1.522 179.141 177.584 0.059 0.000 1.049 310 A CA 0.113 52.173 52.037 0.038 0.000 0.767 310 A CB -0.207 18.809 19.000 0.026 0.000 0.965 310 A HN 0.941 nan 8.150 nan 0.000 0.514 311 Q N 2.659 122.504 119.800 0.075 0.000 2.173 311 Q HA -0.231 4.108 4.340 -0.001 0.000 0.208 311 Q C 2.155 178.273 176.000 0.198 0.000 0.989 311 Q CA 1.820 57.717 55.803 0.158 0.000 0.872 311 Q CB -0.217 28.627 28.738 0.176 0.000 0.909 311 Q HN 0.971 nan 8.270 nan 0.000 0.420 312 G N 0.471 109.351 108.800 0.133 0.000 2.434 312 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.214 312 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.214 312 G C 0.945 175.883 174.900 0.064 0.000 1.202 312 G CA 0.529 45.711 45.100 0.136 0.000 0.788 312 G HN 0.229 nan 8.290 nan 0.000 0.539 313 S N 0.435 116.149 115.700 0.023 0.000 3.149 313 S HA 0.420 4.889 4.470 -0.001 0.000 0.228 313 S C 0.191 174.748 174.600 -0.072 0.000 1.393 313 S CA -0.353 57.826 58.200 -0.035 0.000 1.224 313 S CB 0.123 63.315 63.200 -0.013 0.000 1.112 313 S HN 0.393 nan 8.310 nan 0.000 0.502 314 R N 0.932 121.386 120.500 -0.076 0.000 2.686 314 R HA 0.448 4.788 4.340 -0.001 0.000 0.286 314 R C -1.151 175.072 176.300 -0.128 0.000 0.969 314 R CA -0.614 55.457 56.100 -0.048 0.000 0.898 314 R CB 0.862 31.196 30.300 0.055 0.000 1.183 314 R HN 0.352 nan 8.270 nan 0.000 0.456 315 H N 0.668 119.765 119.070 0.044 0.000 2.505 315 H HA 0.703 5.258 4.556 -0.001 0.000 0.351 315 H C 0.663 176.008 175.328 0.028 0.000 1.151 315 H CA 0.854 56.922 56.048 0.033 0.000 1.339 315 H CB 1.817 31.597 29.762 0.030 0.000 1.483 315 H HN 0.913 nan 8.280 nan 0.000 0.558 316 G N -0.800 108.082 108.800 0.136 0.000 2.350 316 G HA2 0.476 4.435 3.960 -0.001 0.000 0.276 316 G HA3 0.476 4.435 3.960 -0.001 0.000 0.276 316 G C -1.753 173.168 174.900 0.035 0.000 1.313 316 G CA -0.244 44.901 45.100 0.075 0.000 0.903 316 G HN 0.837 nan 8.290 nan 0.000 0.490 317 A N -1.481 121.345 122.820 0.009 0.000 2.556 317 A HA 1.027 5.347 4.320 -0.001 0.000 0.294 317 A C -0.328 177.232 177.584 -0.040 0.000 1.091 317 A CA 0.421 52.449 52.037 -0.015 0.000 0.704 317 A CB 1.878 20.875 19.000 -0.004 0.000 1.300 317 A HN 2.177 nan 8.150 nan 0.000 0.406 318 T N -0.569 113.948 114.554 -0.063 0.000 2.769 318 T HA 0.475 4.824 4.350 -0.001 0.000 0.306 318 T C -1.335 173.317 174.700 -0.080 0.000 1.400 318 T CA -0.203 61.843 62.100 -0.089 0.000 1.007 318 T CB 1.471 70.247 68.868 -0.154 0.000 1.392 318 T HN 0.754 nan 8.240 nan 0.000 0.500 319 Q N 1.805 121.558 119.800 -0.078 0.000 2.211 319 Q HA 0.469 4.808 4.340 -0.001 0.000 0.301 319 Q C -0.609 175.348 176.000 -0.072 0.000 0.884 319 Q CA -0.493 55.274 55.803 -0.060 0.000 1.115 319 Q CB 0.366 29.081 28.738 -0.039 0.000 1.217 319 Q HN 0.414 nan 8.270 nan 0.000 0.451 320 M N 0.742 120.274 119.600 -0.113 0.000 2.602 320 M HA 0.227 4.706 4.480 -0.001 0.000 0.312 320 M C 0.524 176.743 176.300 -0.136 0.000 1.181 320 M CA -0.265 54.962 55.300 -0.121 0.000 0.910 320 M CB 2.122 34.615 32.600 -0.178 0.000 1.723 320 M HN -0.096 nan 8.290 nan 0.000 0.459 321 E N 0.740 120.884 120.200 -0.094 0.000 2.274 321 E HA 0.001 4.350 4.350 -0.001 0.000 0.194 321 E C 0.396 176.934 176.600 -0.104 0.000 0.996 321 E CA 0.397 56.751 56.400 -0.076 0.000 0.840 321 E CB -0.647 29.036 29.700 -0.028 0.000 0.772 321 E HN 0.623 nan 8.360 nan 0.000 0.491 322 V N 0.980 120.788 119.914 -0.177 0.000 3.083 322 V HA -0.099 4.020 4.120 -0.001 0.000 0.303 322 V C 0.268 176.198 176.094 -0.273 0.000 1.151 322 V CA 0.021 62.187 62.300 -0.224 0.000 1.275 322 V CB 0.226 31.678 31.823 -0.619 0.000 0.950 322 V HN -0.064 nan 8.190 nan 0.000 0.506 323 N N 5.619 124.318 118.700 -0.002 0.000 2.920 323 N HA 0.383 5.122 4.740 -0.001 0.000 0.310 323 N C -0.382 175.249 175.510 0.201 0.000 1.384 323 N CA -0.303 52.782 53.050 0.058 0.000 1.083 323 N CB 0.096 38.649 38.487 0.109 0.000 1.389 323 N HN 0.886 nan 8.380 nan 0.000 0.521 324 W N -1.894 119.404 121.300 -0.004 0.000 2.894 324 W HA 0.712 5.372 4.660 -0.001 0.000 0.424 324 W C -1.562 174.958 176.519 0.001 0.000 1.072 324 W CA -0.698 56.644 57.345 -0.006 0.000 1.194 324 W CB 0.235 29.695 29.460 -0.000 0.000 1.471 324 W HN -0.361 nan 8.180 nan 0.000 0.608 325 V N 1.637 121.748 119.914 0.329 0.000 2.969 325 V HA 0.575 4.694 4.120 -0.001 0.000 0.304 325 V C -0.672 175.600 176.094 0.297 0.000 1.192 325 V CA -0.578 61.804 62.300 0.137 0.000 0.962 325 V CB 1.854 33.723 31.823 0.077 0.000 1.045 325 V HN 0.796 nan 8.190 nan 0.000 0.428 326 S N 1.765 117.583 115.700 0.197 0.000 2.543 326 S HA 0.480 4.949 4.470 -0.001 0.000 0.271 326 S C 0.261 174.940 174.600 0.132 0.000 1.148 326 S CA -0.703 57.635 58.200 0.230 0.000 0.914 326 S CB 2.069 65.510 63.200 0.400 0.000 1.096 326 S HN 0.552 nan 8.310 nan 0.000 0.471 327 E N 1.963 122.230 120.200 0.112 0.000 2.197 327 E HA -0.251 4.098 4.350 -0.001 0.000 0.205 327 E C 2.181 178.827 176.600 0.077 0.000 1.029 327 E CA 2.049 58.497 56.400 0.081 0.000 0.828 327 E CB -0.807 28.940 29.700 0.079 0.000 0.737 327 E HN 0.843 nan 8.360 nan 0.000 0.464 328 A N 1.199 124.083 122.820 0.107 0.000 1.877 328 A HA -0.151 4.168 4.320 -0.001 0.000 0.216 328 A C 2.251 179.873 177.584 0.062 0.000 1.186 328 A CA 1.710 53.808 52.037 0.102 0.000 0.620 328 A CB -0.620 18.474 19.000 0.156 0.000 0.822 328 A HN 0.399 nan 8.150 nan 0.000 0.443 329 I N -3.635 116.963 120.570 0.046 0.000 3.860 329 I HA 0.246 4.415 4.170 -0.001 0.000 0.319 329 I C 1.012 177.099 176.117 -0.050 0.000 1.279 329 I CA -0.345 60.938 61.300 -0.028 0.000 1.220 329 I CB -0.152 37.770 38.000 -0.130 0.000 1.027 329 I HN 0.109 nan 8.210 nan 0.000 0.428 330 R N 2.818 123.306 120.500 -0.019 0.000 2.784 330 R HA 0.096 4.435 4.340 -0.001 0.000 0.266 330 R C 0.073 176.358 176.300 -0.025 0.000 1.044 330 R CA 0.586 56.673 56.100 -0.021 0.000 1.151 330 R CB 0.526 30.830 30.300 0.006 0.000 1.037 330 R HN 0.411 nan 8.270 nan 0.000 0.478 331 T N 1.849 116.387 114.554 -0.027 0.000 2.884 331 T HA 0.362 4.711 4.350 -0.001 0.000 0.298 331 T C -0.131 174.548 174.700 -0.034 0.000 0.998 331 T CA -0.835 61.248 62.100 -0.029 0.000 1.124 331 T CB 0.961 69.814 68.868 -0.025 0.000 0.931 331 T HN 0.384 nan 8.240 nan 0.000 0.531 332 R N 2.650 123.122 120.500 -0.047 0.000 2.892 332 R HA 0.425 4.765 4.340 -0.001 0.000 0.265 332 R C -1.847 174.398 176.300 -0.092 0.000 1.025 332 R CA -2.462 53.589 56.100 -0.082 0.000 0.982 332 R CB 0.025 30.275 30.300 -0.083 0.000 1.185 332 R HN 0.397 nan 8.270 nan 0.000 0.484 333 P HA -0.057 nan 4.420 nan 0.000 0.216 333 P C -0.359 176.891 177.300 -0.082 0.000 1.153 333 P CA 1.522 64.546 63.100 -0.127 0.000 0.858 333 P CB 0.360 31.907 31.700 -0.254 0.000 0.789 334 A N -2.207 120.559 122.820 -0.090 0.000 2.467 334 A HA 0.422 4.741 4.320 -0.001 0.000 0.301 334 A C -1.619 175.944 177.584 -0.034 0.000 1.126 334 A CA -0.643 51.364 52.037 -0.050 0.000 0.632 334 A CB 0.311 19.288 19.000 -0.038 0.000 1.331 334 A HN -0.043 nan 8.150 nan 0.000 0.482 335 Q N 0.920 120.719 119.800 -0.002 0.000 2.331 335 Q HA 0.563 4.903 4.340 -0.001 0.000 0.257 335 Q C -1.485 174.557 176.000 0.071 0.000 0.957 335 Q CA -0.442 55.382 55.803 0.034 0.000 0.923 335 Q CB 1.024 29.793 28.738 0.052 0.000 1.212 335 Q HN 0.570 nan 8.270 nan 0.000 0.443 336 V N 4.759 124.717 119.914 0.073 0.000 2.368 336 V HA 0.603 4.722 4.120 -0.001 0.000 0.266 336 V C 0.743 176.944 176.094 0.178 0.000 1.045 336 V CA 0.524 62.889 62.300 0.109 0.000 0.899 336 V CB -0.065 31.792 31.823 0.057 0.000 1.006 336 V HN 1.060 nan 8.190 nan 0.000 0.470 337 G N 4.654 113.620 108.800 0.277 0.000 2.796 337 G HA2 0.101 4.060 3.960 -0.001 0.000 0.571 337 G HA3 0.101 4.060 3.960 -0.001 0.000 0.571 337 G C -0.982 174.204 174.900 0.476 0.000 1.370 337 G CA -0.048 45.270 45.100 0.363 0.000 0.856 337 G HN 1.931 nan 8.290 nan 0.000 0.538 338 F N -3.407 116.552 119.950 0.014 0.000 2.807 338 F HA 0.653 5.179 4.527 -0.001 0.000 0.316 338 F C -0.258 175.507 175.800 -0.058 0.000 1.162 338 F CA -1.899 56.094 58.000 -0.012 0.000 0.910 338 F CB 0.164 39.166 39.000 0.005 0.000 1.314 338 F HN 0.894 nan 8.300 nan 0.000 0.454 339 C N 2.551 121.723 119.300 -0.214 0.000 2.415 339 C HA 0.579 5.038 4.460 -0.001 0.000 0.369 339 C C -0.232 174.441 174.990 -0.529 0.000 1.279 339 C CA -0.354 58.466 59.018 -0.331 0.000 1.886 339 C CB -0.094 27.571 27.740 -0.125 0.000 2.468 339 C HN 0.617 nan 8.230 nan 0.000 0.553 340 Q N 3.139 122.593 119.800 -0.577 0.000 2.306 340 Q HA 0.377 4.716 4.340 -0.001 0.000 0.265 340 Q C -2.678 172.997 176.000 -0.542 0.000 1.022 340 Q CA -1.831 53.643 55.803 -0.549 0.000 0.853 340 Q CB 1.373 29.777 28.738 -0.557 0.000 1.327 340 Q HN 0.441 nan 8.270 nan 0.000 0.449 341 P HA 0.025 nan 4.420 nan 0.000 0.276 341 P C -1.123 175.981 177.300 -0.326 0.000 1.243 341 P CA -0.006 62.879 63.100 -0.357 0.000 0.768 341 P CB 0.448 32.042 31.700 -0.176 0.000 0.856 342 H N 3.360 122.419 119.070 -0.018 0.000 2.767 342 H HA 0.123 4.678 4.556 -0.001 0.000 0.316 342 H C 0.628 175.991 175.328 0.060 0.000 1.059 342 H CA 0.119 56.173 56.048 0.010 0.000 1.461 342 H CB -0.026 29.753 29.762 0.028 0.000 1.475 342 H HN 0.449 nan 8.280 nan 0.000 0.531 343 N N 1.898 120.716 118.700 0.197 0.000 2.667 343 N HA -0.227 4.513 4.740 -0.001 0.000 0.263 343 N C -0.427 175.264 175.510 0.301 0.000 1.038 343 N CA 0.719 53.942 53.050 0.288 0.000 0.749 343 N CB -1.119 37.614 38.487 0.409 0.000 0.892 343 N HN 0.670 nan 8.380 nan 0.000 0.546 344 D N 0.328 120.768 120.400 0.067 0.000 2.713 344 D HA 0.113 4.752 4.640 -0.001 0.000 0.229 344 D C -0.482 175.775 176.300 -0.072 0.000 1.136 344 D CA -0.365 53.647 54.000 0.021 0.000 1.010 344 D CB -0.524 40.245 40.800 -0.052 0.000 1.084 344 D HN 0.152 nan 8.370 nan 0.000 0.495 345 F N 1.896 121.766 119.950 -0.132 0.000 2.519 345 F HA 0.204 4.730 4.527 -0.001 0.000 0.375 345 F C 1.246 176.849 175.800 -0.329 0.000 1.084 345 F CA 0.004 57.867 58.000 -0.229 0.000 1.147 345 F CB 0.317 39.226 39.000 -0.151 0.000 1.088 345 F HN 0.170 nan 8.300 nan 0.000 0.555 346 E N 1.627 121.507 120.200 -0.534 0.000 2.264 346 E HA 0.896 5.245 4.350 -0.001 0.000 0.260 346 E C -0.970 175.158 176.600 -0.787 0.000 0.961 346 E CA -1.419 54.674 56.400 -0.512 0.000 0.834 346 E CB 2.094 31.548 29.700 -0.410 0.000 1.230 346 E HN 0.550 nan 8.360 nan 0.000 0.412 347 A N 0.662 123.272 122.820 -0.350 0.000 2.574 347 A HA 0.645 4.964 4.320 -0.001 0.000 0.297 347 A C -1.044 176.577 177.584 0.061 0.000 1.062 347 A CA -0.516 51.442 52.037 -0.132 0.000 0.686 347 A CB 2.049 21.004 19.000 -0.075 0.000 1.285 347 A HN 0.382 nan 8.150 nan 0.000 0.403 348 S N -0.439 115.368 115.700 0.179 0.000 2.811 348 S HA 0.504 4.974 4.470 -0.001 0.000 0.311 348 S C 0.917 175.565 174.600 0.080 0.000 1.152 348 S CA -0.479 57.795 58.200 0.124 0.000 0.864 348 S CB 1.101 64.389 63.200 0.148 0.000 1.226 348 S HN 0.675 nan 8.310 nan 0.000 0.541 349 R N 0.238 120.765 120.500 0.045 0.000 2.294 349 R HA -0.180 4.159 4.340 -0.001 0.000 0.250 349 R C 1.945 178.251 176.300 0.009 0.000 1.181 349 R CA 1.542 57.653 56.100 0.019 0.000 1.016 349 R CB -0.678 29.625 30.300 0.005 0.000 0.869 349 R HN 0.561 nan 8.270 nan 0.000 0.476 350 A N 0.184 123.019 122.820 0.025 0.000 1.935 350 A HA 0.294 4.613 4.320 -0.001 0.000 0.214 350 A C 1.113 178.718 177.584 0.035 0.000 1.178 350 A CA 1.217 53.258 52.037 0.006 0.000 0.640 350 A CB 0.161 19.146 19.000 -0.024 0.000 0.825 350 A HN 0.471 nan 8.150 nan 0.000 0.447 351 G N -1.904 106.947 108.800 0.086 0.000 2.302 351 G HA2 0.265 4.224 3.960 -0.001 0.000 0.276 351 G HA3 0.265 4.224 3.960 -0.001 0.000 0.276 351 G C -3.387 171.606 174.900 0.155 0.000 1.316 351 G CA -0.233 44.917 45.100 0.084 0.000 0.988 351 G HN 0.252 nan 8.290 nan 0.000 0.479 352 P HA 0.776 nan 4.420 nan 0.000 0.280 352 P C -1.113 176.304 177.300 0.196 0.000 1.272 352 P CA -0.377 62.759 63.100 0.060 0.000 0.819 352 P CB 1.211 32.950 31.700 0.066 0.000 1.122 353 F N -3.548 116.436 119.950 0.058 0.000 2.765 353 F HA 0.620 5.146 4.527 -0.001 0.000 0.313 353 F C -1.794 173.832 175.800 -0.290 0.000 1.136 353 F CA -1.569 56.394 58.000 -0.063 0.000 0.952 353 F CB 0.039 38.987 39.000 -0.086 0.000 1.268 353 F HN 0.414 nan 8.300 nan 0.000 0.441 354 A N 1.844 124.426 122.820 -0.397 0.000 2.401 354 A HA 0.768 5.087 4.320 -0.001 0.000 0.259 354 A C 0.245 177.723 177.584 -0.178 0.000 1.103 354 A CA -0.096 51.469 52.037 -0.786 0.000 0.789 354 A CB 0.054 18.531 19.000 -0.873 0.000 1.035 354 A HN 1.828 nan 8.150 nan 0.000 0.491 355 A N 4.136 126.834 122.820 -0.202 0.000 2.440 355 A HA 0.575 4.894 4.320 -0.001 0.000 0.251 355 A C -2.106 175.445 177.584 -0.055 0.000 1.089 355 A CA -0.976 51.051 52.037 -0.017 0.000 0.779 355 A CB -0.595 18.373 19.000 -0.052 0.000 1.022 355 A HN 0.678 nan 8.150 nan 0.000 0.492 356 P HA 0.436 nan 4.420 nan 0.000 0.274 356 P C -0.993 176.273 177.300 -0.057 0.000 1.256 356 P CA -0.304 62.768 63.100 -0.047 0.000 0.795 356 P CB 0.515 32.190 31.700 -0.042 0.000 1.038 357 K N -1.530 118.836 120.400 -0.057 0.000 2.583 357 K HA 0.376 4.695 4.320 -0.001 0.000 0.260 357 K C -0.858 175.708 176.600 -0.058 0.000 0.931 357 K CA -1.127 55.114 56.287 -0.077 0.000 0.849 357 K CB 1.051 33.484 32.500 -0.113 0.000 1.347 357 K HN 0.215 nan 8.250 nan 0.000 0.425 358 V N -0.221 119.654 119.914 -0.066 0.000 2.506 358 V HA 0.110 4.229 4.120 -0.001 0.000 0.296 358 V C -2.342 173.741 176.094 -0.017 0.000 1.004 358 V CA -0.557 61.718 62.300 -0.041 0.000 1.150 358 V CB -0.659 31.097 31.823 -0.112 0.000 0.911 358 V HN 0.618 nan 8.190 nan 0.000 0.476 359 P HA 0.554 nan 4.420 nan 0.000 0.270 359 P C -0.096 177.252 177.300 0.079 0.000 1.223 359 P CA 0.617 63.755 63.100 0.065 0.000 0.785 359 P CB 0.871 32.640 31.700 0.116 0.000 0.923 360 A N 0.789 123.654 122.820 0.075 0.000 2.540 360 A HA 0.459 4.778 4.320 -0.001 0.000 0.291 360 A C -1.300 176.330 177.584 0.076 0.000 1.083 360 A CA -0.526 51.561 52.037 0.083 0.000 0.650 360 A CB 0.232 19.270 19.000 0.064 0.000 1.292 360 A HN 0.460 nan 8.150 nan 0.000 0.435 361 D N -0.214 120.245 120.400 0.098 0.000 2.423 361 D HA 0.199 4.838 4.640 -0.001 0.000 0.238 361 D C 0.982 177.352 176.300 0.116 0.000 1.142 361 D CA 0.853 54.935 54.000 0.136 0.000 0.884 361 D CB 1.348 42.326 40.800 0.296 0.000 1.199 361 D HN 0.601 nan 8.370 nan 0.000 0.438 362 V N 3.031 123.006 119.914 0.102 0.000 2.591 362 V HA -0.015 4.104 4.120 -0.001 0.000 0.249 362 V C 0.408 176.543 176.094 0.069 0.000 1.053 362 V CA 1.824 64.162 62.300 0.064 0.000 1.068 362 V CB -0.997 30.847 31.823 0.036 0.000 0.689 362 V HN 1.019 nan 8.190 nan 0.000 0.462 363 T N -1.003 113.610 114.554 0.098 0.000 0.541 363 T HA -0.295 4.054 4.350 -0.001 0.000 0.774 363 T C 0.462 175.185 174.700 0.039 0.000 0.992 363 T CA 0.943 63.089 62.100 0.076 0.000 4.077 363 T CB -0.613 68.301 68.868 0.077 0.000 2.303 363 T HN 0.573 nan 8.240 nan 0.000 0.398 364 Q N 0.376 120.191 119.800 0.026 0.000 2.172 364 Q HA 0.098 4.437 4.340 -0.001 0.000 0.200 364 Q C 2.579 178.585 176.000 0.009 0.000 0.964 364 Q CA 1.154 56.961 55.803 0.005 0.000 0.855 364 Q CB -0.384 28.355 28.738 0.002 0.000 0.918 364 Q HN 0.921 nan 8.270 nan 0.000 0.444 365 G N 0.764 109.575 108.800 0.018 0.000 2.564 365 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.217 365 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.217 365 G C 0.681 175.583 174.900 0.002 0.000 1.120 365 G CA 0.419 45.526 45.100 0.012 0.000 0.752 365 G HN 0.328 nan 8.290 nan 0.000 0.558 366 M N 0.356 119.959 119.600 0.005 0.000 2.333 366 M HA -0.141 4.338 4.480 -0.001 0.000 0.199 366 M C -0.968 175.326 176.300 -0.010 0.000 0.376 366 M CA 0.754 56.053 55.300 -0.002 0.000 0.440 366 M CB -1.456 31.139 32.600 -0.008 0.000 1.506 366 M HN 0.177 nan 8.290 nan 0.000 0.889 367 D N 0.738 121.134 120.400 -0.007 0.000 2.517 367 D HA 0.219 4.859 4.640 -0.001 0.000 0.220 367 D C 1.156 177.447 176.300 -0.014 0.000 1.158 367 D CA -0.028 53.956 54.000 -0.027 0.000 0.992 367 D CB 0.483 41.266 40.800 -0.030 0.000 1.058 367 D HN 0.365 nan 8.370 nan 0.000 0.516 368 R N 1.060 121.551 120.500 -0.015 0.000 2.089 368 R HA -0.087 4.253 4.340 -0.001 0.000 0.222 368 R C 1.814 178.117 176.300 0.005 0.000 1.151 368 R CA 1.009 57.107 56.100 -0.003 0.000 0.908 368 R CB -0.112 30.184 30.300 -0.006 0.000 0.813 368 R HN 0.334 nan 8.270 nan 0.000 0.440 369 E N 0.064 120.265 120.200 0.002 0.000 2.339 369 E HA -0.241 4.108 4.350 -0.001 0.000 0.201 369 E C 1.631 178.265 176.600 0.056 0.000 1.015 369 E CA 1.048 57.462 56.400 0.022 0.000 0.841 369 E CB -0.110 29.605 29.700 0.025 0.000 0.754 369 E HN 0.434 nan 8.360 nan 0.000 0.508 370 A N 0.998 123.836 122.820 0.030 0.000 2.021 370 A HA -0.025 4.294 4.320 -0.001 0.000 0.216 370 A C 1.333 178.975 177.584 0.097 0.000 1.163 370 A CA 0.553 52.672 52.037 0.136 0.000 0.676 370 A CB 0.331 19.323 19.000 -0.012 0.000 0.818 370 A HN 0.048 nan 8.150 nan 0.000 0.453 371 N N -0.195 118.525 118.700 0.033 0.000 2.598 371 N HA 0.237 4.976 4.740 -0.001 0.000 0.309 371 N C 0.579 176.092 175.510 0.005 0.000 1.645 371 N CA 0.565 53.614 53.050 -0.002 0.000 0.936 371 N CB 0.513 39.010 38.487 0.016 0.000 1.323 371 N HN 0.412 nan 8.380 nan 0.000 0.497 372 G N 0.825 109.626 108.800 0.001 0.000 2.450 372 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.302 372 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.302 372 G C 0.369 175.294 174.900 0.042 0.000 0.957 372 G CA 0.711 45.816 45.100 0.008 0.000 1.005 372 G HN 0.326 nan 8.290 nan 0.000 0.514 373 S N -1.831 113.899 115.700 0.049 0.000 2.580 373 S HA 0.459 4.929 4.470 -0.001 0.000 0.266 373 S C 0.716 175.366 174.600 0.082 0.000 1.354 373 S CA 0.028 58.281 58.200 0.087 0.000 1.008 373 S CB 1.332 64.561 63.200 0.047 0.000 0.898 373 S HN 0.624 nan 8.310 nan 0.000 0.555 374 V N 2.139 122.142 119.914 0.149 0.000 2.680 374 V HA 0.547 4.666 4.120 -0.001 0.000 0.309 374 V C -0.078 176.058 176.094 0.070 0.000 1.052 374 V CA -0.854 61.473 62.300 0.046 0.000 0.908 374 V CB 1.793 33.589 31.823 -0.044 0.000 1.001 374 V HN 0.745 nan 8.190 nan 0.000 0.431 375 R N 2.061 122.526 120.500 -0.059 0.000 2.310 375 R HA 0.560 4.899 4.340 -0.001 0.000 0.324 375 R C -1.749 174.543 176.300 -0.014 0.000 0.955 375 R CA -0.436 55.693 56.100 0.048 0.000 0.830 375 R CB 0.944 31.264 30.300 0.033 0.000 1.154 375 R HN 0.687 nan 8.270 nan 0.000 0.458 376 Y N 0.852 121.255 120.300 0.171 0.000 2.387 376 Y HA 0.326 4.875 4.550 -0.001 0.000 0.330 376 Y C 0.303 176.344 175.900 0.235 0.000 1.133 376 Y CA -0.713 57.516 58.100 0.214 0.000 1.152 376 Y CB 2.431 41.065 38.460 0.290 0.000 1.215 376 Y HN 0.460 nan 8.280 nan 0.000 0.466 377 S N 2.270 118.159 115.700 0.315 0.000 2.060 377 S HA 0.254 4.724 4.470 -0.001 0.000 0.156 377 S C -0.969 173.697 174.600 0.109 0.000 1.690 377 S CA -0.875 57.404 58.200 0.132 0.000 1.238 377 S CB -0.914 62.319 63.200 0.053 0.000 1.150 377 S HN 0.520 nan 8.310 nan 0.000 0.437 378 Y N -0.046 120.302 120.300 0.080 0.000 2.260 378 Y HA 0.829 5.379 4.550 -0.001 0.000 0.339 378 Y C 0.572 176.476 175.900 0.006 0.000 1.317 378 Y CA -1.356 56.742 58.100 -0.004 0.000 1.514 378 Y CB 0.090 38.555 38.460 0.009 0.000 1.382 378 Y HN 0.385 nan 8.280 nan 0.000 0.581 379 G N 0.659 109.542 108.800 0.139 0.000 2.552 379 G HA2 0.372 4.331 3.960 -0.001 0.000 0.288 379 G HA3 0.372 4.331 3.960 -0.001 0.000 0.288 379 G C -0.397 174.619 174.900 0.193 0.000 1.358 379 G CA -0.980 44.173 45.100 0.088 0.000 1.305 379 G HN 0.515 nan 8.290 nan 0.000 0.602 380 K N 0.973 121.511 120.400 0.230 0.000 4.168 380 K HA -0.380 3.939 4.320 -0.001 0.000 0.344 380 K C 1.758 178.561 176.600 0.338 0.000 0.700 380 K CA 2.389 58.885 56.287 0.349 0.000 1.228 380 K CB -0.895 31.722 32.500 0.194 0.000 1.018 380 K HN 0.674 nan 8.250 nan 0.000 0.714 381 Q N 0.837 120.755 119.800 0.197 0.000 2.632 381 Q HA -0.159 4.181 4.340 -0.001 0.000 0.220 381 Q C 0.173 175.799 176.000 -0.623 0.000 0.980 381 Q CA 1.168 56.966 55.803 -0.008 0.000 0.934 381 Q CB -0.284 28.344 28.738 -0.184 0.000 0.979 381 Q HN 0.482 nan 8.270 nan 0.000 0.557 382 H N -2.607 116.271 119.070 -0.320 0.000 2.904 382 H HA 0.339 4.895 4.556 -0.001 0.000 0.242 382 H C 0.464 175.627 175.328 -0.275 0.000 1.193 382 H CA 0.198 55.748 56.048 -0.829 0.000 0.946 382 H CB 1.047 30.382 29.762 -0.711 0.000 2.135 382 H HN 0.258 nan 8.280 nan 0.000 0.652 383 G N 0.040 108.926 108.800 0.143 0.000 2.113 383 G HA2 0.019 3.978 3.960 -0.001 0.000 0.082 383 G HA3 0.019 3.978 3.960 -0.001 0.000 0.082 383 G C -0.708 174.390 174.900 0.330 0.000 1.155 383 G CA -0.168 45.105 45.100 0.288 0.000 1.241 383 G HN 0.399 nan 8.290 nan 0.000 0.453 384 E N -0.689 119.743 120.200 0.386 0.000 9.206 384 E HA -0.166 4.183 4.350 -0.001 0.000 0.451 384 E C 0.545 177.213 176.600 0.114 0.000 1.404 384 E CA 1.250 57.737 56.400 0.145 0.000 2.438 384 E CB -0.382 29.412 29.700 0.155 0.000 1.038 384 E HN 0.918 nan 8.360 nan 0.000 0.406 385 N N -0.607 118.138 118.700 0.076 0.000 2.694 385 N HA 0.172 4.911 4.740 -0.001 0.000 0.303 385 N C 0.185 175.755 175.510 0.101 0.000 1.364 385 N CA 0.264 53.327 53.050 0.021 0.000 0.862 385 N CB -0.030 38.468 38.487 0.019 0.000 1.107 385 N HN 0.545 nan 8.380 nan 0.000 0.512 386 W N -0.544 120.713 121.300 -0.072 0.000 2.942 386 W HA 0.465 5.124 4.660 -0.001 0.000 0.260 386 W C 1.097 177.536 176.519 -0.133 0.000 1.101 386 W CA 0.177 57.462 57.345 -0.100 0.000 1.436 386 W CB -0.899 28.482 29.460 -0.133 0.000 0.883 386 W HN 0.568 nan 8.180 nan 0.000 0.646 387 A N 1.091 123.973 122.820 0.104 0.000 2.223 387 A HA 0.455 4.774 4.320 -0.001 0.000 0.222 387 A C 0.844 178.285 177.584 -0.239 0.000 1.317 387 A CA 0.603 52.591 52.037 -0.081 0.000 0.985 387 A CB -1.244 17.737 19.000 -0.032 0.000 0.858 387 A HN -0.026 nan 8.150 nan 0.000 0.496 388 A N 0.337 123.074 122.820 -0.138 0.000 2.366 388 A HA 0.546 4.865 4.320 -0.001 0.000 0.272 388 A C -0.241 177.219 177.584 -0.207 0.000 1.135 388 A CA -0.429 51.535 52.037 -0.121 0.000 0.804 388 A CB -0.087 18.903 19.000 -0.016 0.000 1.064 388 A HN 0.666 nan 8.150 nan 0.000 0.499 389 H N 0.832 119.910 119.070 0.013 0.000 2.505 389 H HA 0.585 5.140 4.556 -0.001 0.000 0.351 389 H C 0.981 176.307 175.328 -0.003 0.000 1.151 389 H CA 0.794 56.843 56.048 0.002 0.000 1.339 389 H CB 1.068 30.831 29.762 0.001 0.000 1.483 389 H HN 1.403 nan 8.280 nan 0.000 0.558 390 G N 1.490 110.358 108.800 0.113 0.000 2.787 390 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.685 390 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.685 390 G C -1.478 173.434 174.900 0.021 0.000 1.437 390 G CA -0.458 44.675 45.100 0.055 0.000 0.872 390 G HN 0.644 nan 8.290 nan 0.000 0.566 391 P HA 0.198 nan 4.420 nan 0.000 0.230 391 P C 1.114 178.411 177.300 -0.006 0.000 1.158 391 P CA 1.240 64.338 63.100 -0.002 0.000 0.769 391 P CB -0.100 31.598 31.700 -0.003 0.000 0.807 392 A N 3.402 126.221 122.820 -0.001 0.000 2.550 392 A HA 0.141 4.460 4.320 -0.001 0.000 0.263 392 A C -1.642 175.925 177.584 -0.028 0.000 1.065 392 A CA -0.587 51.446 52.037 -0.008 0.000 0.786 392 A CB -1.045 17.956 19.000 0.002 0.000 0.985 392 A HN 0.236 nan 8.150 nan 0.000 0.518 393 P HA 0.216 nan 4.420 nan 0.000 0.277 393 P C -0.378 176.839 177.300 -0.138 0.000 1.240 393 P CA -0.366 62.682 63.100 -0.085 0.000 0.798 393 P CB 0.972 32.631 31.700 -0.068 0.000 0.979 394 E N 1.841 121.875 120.200 -0.277 0.000 2.313 394 E HA 0.267 4.616 4.350 -0.001 0.000 0.272 394 E C -0.402 175.914 176.600 -0.474 0.000 1.038 394 E CA -0.605 55.579 56.400 -0.360 0.000 0.863 394 E CB 0.715 30.141 29.700 -0.457 0.000 1.060 394 E HN 0.314 nan 8.360 nan 0.000 0.402 395 R N 2.333 122.733 120.500 -0.166 0.000 2.854 395 R HA 0.470 4.809 4.340 -0.001 0.000 0.271 395 R C -1.531 174.976 176.300 0.345 0.000 0.994 395 R CA -0.958 55.178 56.100 0.059 0.000 0.945 395 R CB 1.549 31.895 30.300 0.078 0.000 1.194 395 R HN 0.478 nan 8.270 nan 0.000 0.476 396 Y N 0.035 120.546 120.300 0.352 0.000 2.401 396 Y HA 0.300 4.850 4.550 -0.001 0.000 0.330 396 Y C -1.303 174.834 175.900 0.394 0.000 1.071 396 Y CA -0.505 57.819 58.100 0.373 0.000 1.049 396 Y CB 2.356 41.097 38.460 0.468 0.000 1.239 396 Y HN 0.546 nan 8.280 nan 0.000 0.437 397 T N 6.449 120.760 114.554 -0.404 0.000 2.799 397 T HA 0.156 4.505 4.350 -0.001 0.000 0.286 397 T C -1.273 173.100 174.700 -0.544 0.000 0.973 397 T CA -0.322 61.617 62.100 -0.269 0.000 1.035 397 T CB 0.567 69.352 68.868 -0.139 0.000 0.932 397 T HN 0.595 nan 8.240 nan 0.000 0.469 398 W N 4.539 125.685 121.300 -0.256 0.000 2.329 398 W HA 0.288 4.947 4.660 -0.001 0.000 0.312 398 W C -1.225 175.282 176.519 -0.019 0.000 1.054 398 W CA -0.711 56.567 57.345 -0.111 0.000 1.245 398 W CB 0.835 30.378 29.460 0.137 0.000 1.255 398 W HN 0.550 nan 8.180 nan 0.000 0.436 399 D N 4.519 124.645 120.400 -0.458 0.000 2.317 399 D HA 0.027 4.666 4.640 -0.001 0.000 0.234 399 D C 0.015 176.067 176.300 -0.414 0.000 1.112 399 D CA -0.001 53.826 54.000 -0.288 0.000 0.840 399 D CB 1.634 42.316 40.800 -0.197 0.000 1.078 399 D HN 0.324 nan 8.370 nan 0.000 0.486 400 E N 0.600 120.739 120.200 -0.101 0.000 2.415 400 E HA -0.000 4.349 4.350 -0.001 0.000 0.262 400 E C 0.605 177.117 176.600 -0.146 0.000 1.038 400 E CA 0.166 56.565 56.400 -0.002 0.000 0.921 400 E CB 0.610 30.387 29.700 0.127 0.000 0.950 400 E HN 0.341 nan 8.360 nan 0.000 0.438 401 T N 0.540 114.978 114.554 -0.194 0.000 3.122 401 T HA 0.024 4.374 4.350 -0.001 0.000 0.250 401 T C 0.394 174.693 174.700 -0.669 0.000 1.067 401 T CA -0.319 61.448 62.100 -0.555 0.000 0.966 401 T CB -0.451 68.184 68.868 -0.388 0.000 1.002 401 T HN 0.451 nan 8.240 nan 0.000 0.542 402 N N 2.267 120.814 118.700 -0.256 0.000 3.178 402 N HA 0.075 4.814 4.740 -0.001 0.000 0.300 402 N C -0.512 174.994 175.510 -0.006 0.000 1.242 402 N CA -0.532 52.470 53.050 -0.080 0.000 1.192 402 N CB -0.722 37.809 38.487 0.072 0.000 1.463 402 N HN 0.143 nan 8.380 nan 0.000 0.539 403 F N 0.586 120.666 119.950 0.217 0.000 2.646 403 F HA 0.239 4.765 4.527 -0.001 0.000 0.313 403 F C 2.168 178.074 175.800 0.176 0.000 1.256 403 F CA 0.801 58.918 58.000 0.195 0.000 1.354 403 F CB -0.561 38.585 39.000 0.244 0.000 1.159 403 F HN 0.456 nan 8.300 nan 0.000 0.589 404 G N -0.549 108.483 108.800 0.387 0.000 2.205 404 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.269 404 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.269 404 G C 0.876 175.882 174.900 0.177 0.000 0.977 404 G CA 0.821 46.062 45.100 0.234 0.000 0.652 404 G HN 0.644 nan 8.290 nan 0.000 0.539 405 S N -0.520 115.300 115.700 0.200 0.000 2.549 405 S HA 0.473 4.943 4.470 -0.001 0.000 0.225 405 S C 1.510 176.204 174.600 0.158 0.000 1.039 405 S CA 0.485 58.796 58.200 0.184 0.000 0.942 405 S CB 0.793 64.114 63.200 0.200 0.000 0.881 405 S HN 1.144 nan 8.310 nan 0.000 0.503 406 G N 1.887 110.784 108.800 0.162 0.000 2.653 406 G HA2 0.513 4.472 3.960 -0.001 0.000 0.265 406 G HA3 0.513 4.472 3.960 -0.001 0.000 0.265 406 G C -0.416 174.539 174.900 0.093 0.000 1.237 406 G CA -0.366 44.807 45.100 0.122 0.000 0.946 406 G HN 0.096 nan 8.290 nan 0.000 0.522 407 R N 0.064 120.604 120.500 0.066 0.000 2.564 407 R HA 0.253 4.592 4.340 -0.001 0.000 0.284 407 R C -1.762 174.576 176.300 0.063 0.000 1.031 407 R CA -0.863 55.272 56.100 0.059 0.000 0.904 407 R CB 1.995 32.309 30.300 0.024 0.000 1.199 407 R HN 0.613 nan 8.270 nan 0.000 0.443 408 D N 1.918 122.361 120.400 0.071 0.000 2.467 408 D HA 0.102 4.742 4.640 -0.001 0.000 0.220 408 D C 0.745 177.094 176.300 0.081 0.000 1.103 408 D CA -0.218 53.822 54.000 0.066 0.000 0.886 408 D CB 1.151 41.990 40.800 0.065 0.000 1.025 408 D HN 0.536 nan 8.370 nan 0.000 0.514 409 T N 2.631 117.228 114.554 0.072 0.000 2.649 409 T HA -0.317 4.032 4.350 -0.001 0.000 0.268 409 T C 1.811 176.583 174.700 0.119 0.000 1.036 409 T CA 1.114 63.273 62.100 0.099 0.000 1.157 409 T CB -0.122 68.773 68.868 0.045 0.000 0.861 409 T HN 0.278 nan 8.240 nan 0.000 0.445 410 R N 2.061 122.601 120.500 0.067 0.000 2.122 410 R HA -0.094 4.245 4.340 -0.001 0.000 0.236 410 R C 2.228 178.592 176.300 0.107 0.000 1.129 410 R CA 2.059 58.191 56.100 0.054 0.000 0.925 410 R CB -0.985 29.332 30.300 0.029 0.000 0.850 410 R HN 0.535 nan 8.270 nan 0.000 0.431 411 D N -0.255 120.224 120.400 0.131 0.000 2.348 411 D HA 0.029 4.668 4.640 -0.001 0.000 0.216 411 D C 0.692 177.192 176.300 0.334 0.000 0.970 411 D CA 0.880 54.999 54.000 0.199 0.000 0.889 411 D CB -0.480 40.418 40.800 0.164 0.000 0.912 411 D HN 0.302 nan 8.370 nan 0.000 0.524 412 G N 0.935 109.906 108.800 0.285 0.000 2.343 412 G HA2 0.368 4.327 3.960 -0.001 0.000 0.254 412 G HA3 0.368 4.327 3.960 -0.001 0.000 0.254 412 G C -0.430 174.788 174.900 0.530 0.000 1.277 412 G CA -0.270 45.016 45.100 0.311 0.000 0.909 412 G HN 0.156 nan 8.290 nan 0.000 0.502 413 F N 0.639 120.743 119.950 0.256 0.000 2.654 413 F HA 0.704 5.231 4.527 -0.001 0.000 0.308 413 F C -1.074 174.778 175.800 0.086 0.000 1.108 413 F CA -1.910 56.151 58.000 0.101 0.000 0.957 413 F CB 1.369 40.362 39.000 -0.012 0.000 1.309 413 F HN 0.301 nan 8.300 nan 0.000 0.446 414 I N 3.382 124.037 120.570 0.141 0.000 2.355 414 I HA 0.296 4.465 4.170 -0.001 0.000 0.288 414 I C 0.051 176.260 176.117 0.153 0.000 0.999 414 I CA -0.592 60.744 61.300 0.059 0.000 1.163 414 I CB 1.627 39.625 38.000 -0.002 0.000 1.316 414 I HN 0.699 nan 8.210 nan 0.000 0.454 415 Q N 2.668 122.581 119.800 0.187 0.000 2.225 415 Q HA 0.429 4.768 4.340 -0.001 0.000 0.177 415 Q C -0.272 175.780 176.000 0.087 0.000 1.073 415 Q CA -0.244 55.667 55.803 0.182 0.000 1.134 415 Q CB 1.518 30.396 28.738 0.233 0.000 1.210 415 Q HN 0.638 nan 8.270 nan 0.000 0.599 416 S N -1.891 113.853 115.700 0.074 0.000 2.599 416 S HA 0.636 5.105 4.470 -0.001 0.000 0.287 416 S C -0.531 174.095 174.600 0.044 0.000 1.105 416 S CA 0.201 58.429 58.200 0.048 0.000 0.899 416 S CB 1.228 64.448 63.200 0.034 0.000 1.100 416 S HN 0.861 nan 8.310 nan 0.000 0.482 417 A N 3.330 126.171 122.820 0.034 0.000 5.554 417 A HA -0.140 4.179 4.320 -0.001 0.000 0.335 417 A C -2.018 175.584 177.584 0.030 0.000 1.745 417 A CA 0.866 52.920 52.037 0.029 0.000 0.758 417 A CB -3.193 15.823 19.000 0.026 0.000 1.400 417 A HN 0.904 nan 8.150 nan 0.000 0.410 418 P HA 0.137 nan 4.420 nan 0.000 0.235 418 P C -0.432 176.896 177.300 0.047 0.000 1.053 418 P CA 0.675 63.793 63.100 0.031 0.000 0.833 418 P CB -0.408 31.310 31.700 0.030 0.000 0.737 419 L N 5.311 126.565 121.223 0.051 0.000 2.453 419 L HA 0.207 4.547 4.340 -0.001 0.000 0.272 419 L C 0.113 177.056 176.870 0.120 0.000 1.182 419 L CA 0.014 54.904 54.840 0.084 0.000 0.858 419 L CB 0.813 42.917 42.059 0.076 0.000 1.120 419 L HN 0.265 nan 8.230 nan 0.000 0.474 420 V N 3.816 123.809 119.914 0.131 0.000 2.495 420 V HA 0.423 4.542 4.120 -0.001 0.000 0.298 420 V C 1.009 177.195 176.094 0.152 0.000 1.031 420 V CA -0.796 61.579 62.300 0.126 0.000 0.871 420 V CB 1.154 33.022 31.823 0.075 0.000 0.988 420 V HN 0.675 nan 8.190 nan 0.000 0.432 421 V N 3.269 123.272 119.914 0.148 0.000 2.232 421 V HA -0.120 3.999 4.120 -0.001 0.000 0.251 421 V C -1.176 174.939 176.094 0.036 0.000 1.048 421 V CA 2.223 64.569 62.300 0.077 0.000 1.029 421 V CB -1.586 30.207 31.823 -0.049 0.000 0.658 421 V HN 0.924 nan 8.190 nan 0.000 0.464 422 P HA 0.371 nan 4.420 nan 0.000 0.304 422 P C -2.717 174.577 177.300 -0.011 0.000 1.385 422 P CA -2.058 61.029 63.100 -0.023 0.000 0.896 422 P CB 1.157 32.830 31.700 -0.045 0.000 0.958 423 P HA 0.108 nan 4.420 nan 0.000 0.268 423 P C -2.030 175.255 177.300 -0.026 0.000 1.205 423 P CA -0.812 62.283 63.100 -0.009 0.000 0.771 423 P CB 0.262 31.955 31.700 -0.013 0.000 0.858 424 P HA -0.086 nan 4.420 nan 0.000 0.200 424 P C 1.080 178.361 177.300 -0.031 0.000 1.007 424 P CA 0.772 63.860 63.100 -0.020 0.000 0.916 424 P CB 0.083 31.777 31.700 -0.010 0.000 0.696 425 L N -2.964 118.242 121.223 -0.029 0.000 1.362 425 L HA 0.079 4.418 4.340 -0.001 0.000 0.100 425 L C -0.409 176.441 176.870 -0.032 0.000 1.446 425 L CA 0.642 55.461 54.840 -0.035 0.000 1.142 425 L CB -1.144 40.896 42.059 -0.030 0.000 2.348 425 L HN 0.049 nan 8.230 nan 0.000 0.458 426 N N 1.090 119.777 118.700 -0.022 0.000 2.362 426 N HA 0.095 4.835 4.740 -0.001 0.000 0.211 426 N C 0.899 176.402 175.510 -0.012 0.000 1.170 426 N CA 0.674 53.714 53.050 -0.018 0.000 0.828 426 N CB 0.371 38.850 38.487 -0.013 0.000 1.034 426 N HN 0.473 nan 8.380 nan 0.000 0.475 427 G N 0.286 109.078 108.800 -0.012 0.000 3.863 427 G HA2 0.380 4.339 3.960 -0.001 0.000 0.290 427 G HA3 0.380 4.339 3.960 -0.001 0.000 0.290 427 G C -0.216 174.687 174.900 0.006 0.000 1.018 427 G CA -0.242 44.859 45.100 0.001 0.000 0.824 427 G HN 0.375 nan 8.290 nan 0.000 0.507 428 I N -0.253 120.310 120.570 -0.012 0.000 2.767 428 I HA 0.299 4.468 4.170 -0.001 0.000 0.281 428 I C -2.026 174.054 176.117 -0.063 0.000 1.532 428 I CA -0.822 60.473 61.300 -0.009 0.000 1.103 428 I CB 1.273 39.261 38.000 -0.019 0.000 1.466 428 I HN -0.080 nan 8.210 nan 0.000 0.421 429 L N 8.380 129.543 121.223 -0.101 0.000 2.265 429 L HA 0.622 4.961 4.340 -0.001 0.000 0.288 429 L C 0.176 176.812 176.870 -0.391 0.000 1.058 429 L CA 0.214 54.922 54.840 -0.220 0.000 0.809 429 L CB 1.237 43.153 42.059 -0.238 0.000 1.179 429 L HN 0.823 nan 8.230 nan 0.000 0.429 430 T N 0.237 114.588 114.554 -0.338 0.000 2.841 430 T HA 0.207 4.556 4.350 -0.001 0.000 0.276 430 T C 0.408 174.907 174.700 -0.334 0.000 1.003 430 T CA -0.780 61.114 62.100 -0.343 0.000 0.995 430 T CB 1.040 69.815 68.868 -0.156 0.000 1.260 430 T HN 0.642 nan 8.240 nan 0.000 0.581 431 N N 0.120 118.707 118.700 -0.187 0.000 2.878 431 N HA 0.296 5.035 4.740 -0.001 0.000 0.282 431 N C 0.661 175.925 175.510 -0.410 0.000 1.284 431 N CA 0.007 52.934 53.050 -0.205 0.000 1.053 431 N CB -0.372 38.072 38.487 -0.072 0.000 1.382 431 N HN 0.660 nan 8.380 nan 0.000 0.529 432 A N 0.178 122.986 122.820 -0.019 0.000 1.780 432 A HA 0.110 4.429 4.320 -0.001 0.000 0.208 432 A C 0.176 177.969 177.584 0.348 0.000 1.761 432 A CA -0.289 51.840 52.037 0.153 0.000 1.183 432 A CB 0.091 19.108 19.000 0.028 0.000 1.162 432 A HN 0.299 nan 8.150 nan 0.000 0.472 433 N N 2.265 121.073 118.700 0.180 0.000 2.454 433 N HA 0.289 5.028 4.740 -0.001 0.000 0.260 433 N C -2.898 172.605 175.510 -0.011 0.000 1.218 433 N CA -0.413 52.669 53.050 0.055 0.000 0.904 433 N CB 0.072 38.546 38.487 -0.021 0.000 1.065 433 N HN 0.183 nan 8.380 nan 0.000 0.462 434 P HA 0.345 nan 4.420 nan 0.000 0.288 434 P C -0.205 177.022 177.300 -0.122 0.000 1.267 434 P CA -0.455 62.500 63.100 -0.242 0.000 0.815 434 P CB 1.000 32.585 31.700 -0.192 0.000 0.989 435 I N 1.201 121.706 120.570 -0.108 0.000 2.498 435 I HA 0.329 4.498 4.170 -0.001 0.000 0.301 435 I C 1.476 177.568 176.117 -0.042 0.000 0.984 435 I CA -0.651 60.627 61.300 -0.036 0.000 1.204 435 I CB 0.177 38.187 38.000 0.017 0.000 1.362 435 I HN 0.658 nan 8.210 nan 0.000 0.471 436 G N 4.624 113.410 108.800 -0.023 0.000 2.422 436 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.301 436 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.301 436 G C 0.803 175.676 174.900 -0.045 0.000 0.981 436 G CA 1.596 46.680 45.100 -0.026 0.000 0.994 436 G HN 1.587 nan 8.290 nan 0.000 0.514 437 T N -4.582 109.941 114.554 -0.051 0.000 5.221 437 T HA -0.251 4.098 4.350 -0.001 0.000 0.299 437 T C 0.441 175.091 174.700 -0.082 0.000 1.489 437 T CA 2.114 64.177 62.100 -0.060 0.000 2.593 437 T CB -1.430 67.409 68.868 -0.049 0.000 1.859 437 T HN 0.891 nan 8.240 nan 0.000 0.982 438 K N 1.325 121.666 120.400 -0.098 0.000 2.235 438 K HA 0.508 4.827 4.320 -0.001 0.000 0.266 438 K C 1.109 177.628 176.600 -0.137 0.000 0.980 438 K CA -0.468 55.750 56.287 -0.115 0.000 0.849 438 K CB 1.372 33.803 32.500 -0.115 0.000 1.098 438 K HN 0.267 nan 8.250 nan 0.000 0.445 439 N N 1.418 120.051 118.700 -0.113 0.000 2.094 439 N HA -0.199 4.541 4.740 -0.001 0.000 0.191 439 N C 0.197 175.625 175.510 -0.138 0.000 1.023 439 N CA 1.819 54.806 53.050 -0.106 0.000 0.857 439 N CB 0.103 38.558 38.487 -0.053 0.000 1.013 439 N HN 0.541 nan 8.380 nan 0.000 0.426 440 D N -0.795 119.548 120.400 -0.095 0.000 2.367 440 D HA 0.110 4.749 4.640 -0.001 0.000 0.207 440 D C -0.273 176.024 176.300 -0.005 0.000 1.034 440 D CA 0.097 54.108 54.000 0.018 0.000 0.861 440 D CB 0.461 41.288 40.800 0.044 0.000 0.943 440 D HN 0.151 nan 8.370 nan 0.000 0.515 441 I N 2.128 122.610 120.570 -0.148 0.000 2.322 441 I HA 0.195 4.364 4.170 -0.001 0.000 0.292 441 I C 0.124 176.140 176.117 -0.169 0.000 1.060 441 I CA -0.092 61.176 61.300 -0.053 0.000 1.309 441 I CB -0.118 37.853 38.000 -0.048 0.000 1.415 441 I HN -0.008 nan 8.210 nan 0.000 0.492 442 H N 5.258 124.415 119.070 0.145 0.000 2.771 442 H HA 0.269 4.824 4.556 -0.001 0.000 0.344 442 H C 0.896 176.423 175.328 0.332 0.000 1.260 442 H CA -0.645 55.533 56.048 0.216 0.000 1.276 442 H CB 0.645 30.562 29.762 0.259 0.000 1.881 442 H HN 0.427 nan 8.280 nan 0.000 0.615 443 F N -0.400 119.663 119.950 0.188 0.000 2.202 443 F HA -0.158 4.368 4.527 -0.001 0.000 0.301 443 F C 1.676 177.577 175.800 0.169 0.000 1.082 443 F CA 1.345 59.412 58.000 0.110 0.000 1.313 443 F CB -1.756 37.243 39.000 -0.001 0.000 1.024 443 F HN 0.265 nan 8.300 nan 0.000 0.495 444 S N 1.458 117.202 115.700 0.073 0.000 2.359 444 S HA -0.283 4.187 4.470 -0.001 0.000 0.222 444 S C 1.429 176.040 174.600 0.017 0.000 1.038 444 S CA 1.830 59.966 58.200 -0.107 0.000 1.051 444 S CB -0.922 62.412 63.200 0.222 0.000 0.944 444 S HN 0.532 nan 8.310 nan 0.000 0.433 445 N N 1.195 120.046 118.700 0.252 0.000 2.651 445 N HA -0.045 4.694 4.740 -0.001 0.000 0.193 445 N C 0.937 176.471 175.510 0.039 0.000 1.149 445 N CA 0.968 54.122 53.050 0.173 0.000 0.933 445 N CB -0.130 38.505 38.487 0.247 0.000 0.974 445 N HN 0.541 nan 8.380 nan 0.000 0.448 446 V N -5.426 114.516 119.914 0.046 0.000 3.392 446 V HA 0.369 4.488 4.120 -0.001 0.000 0.285 446 V C -0.065 176.077 176.094 0.080 0.000 1.582 446 V CA -0.627 61.705 62.300 0.052 0.000 1.034 446 V CB -0.656 31.225 31.823 0.097 0.000 0.846 446 V HN -0.065 nan 8.190 nan 0.000 0.431 447 F N 3.439 123.298 119.950 -0.151 0.000 2.410 447 F HA 0.518 5.044 4.527 -0.001 0.000 0.348 447 F C 0.279 175.980 175.800 -0.164 0.000 1.106 447 F CA -1.074 56.825 58.000 -0.168 0.000 1.163 447 F CB 0.799 39.603 39.000 -0.326 0.000 1.129 447 F HN 0.231 nan 8.300 nan 0.000 0.516 448 N N 3.876 122.114 118.700 -0.770 0.000 2.569 448 N HA 0.077 4.816 4.740 -0.001 0.000 0.254 448 N C 0.047 175.126 175.510 -0.718 0.000 1.004 448 N CA -0.098 52.621 53.050 -0.550 0.000 0.904 448 N CB 1.236 39.588 38.487 -0.224 0.000 1.165 448 N HN 0.668 nan 8.380 nan 0.000 0.513 449 S N 3.099 118.466 115.700 -0.554 0.000 2.481 449 S HA -0.098 4.371 4.470 -0.001 0.000 0.231 449 S C 0.588 175.238 174.600 0.084 0.000 0.996 449 S CA 0.215 58.253 58.200 -0.271 0.000 0.942 449 S CB -0.277 62.901 63.200 -0.037 0.000 0.768 449 S HN 0.649 nan 8.310 nan 0.000 0.520 450 Y N 1.711 122.078 120.300 0.112 0.000 2.960 450 Y HA 0.326 4.876 4.550 -0.001 0.000 0.345 450 Y C 0.700 176.538 175.900 -0.104 0.000 1.277 450 Y CA 1.142 59.206 58.100 -0.060 0.000 1.508 450 Y CB -0.171 38.235 38.460 -0.089 0.000 1.317 450 Y HN 0.279 nan 8.280 nan 0.000 0.639 451 G N 4.099 112.469 108.800 -0.716 0.000 2.313 451 G HA2 0.219 4.178 3.960 -0.001 0.000 0.296 451 G HA3 0.219 4.178 3.960 -0.001 0.000 0.296 451 G C -2.561 172.041 174.900 -0.497 0.000 1.356 451 G CA -0.538 44.214 45.100 -0.580 0.000 0.833 451 G HN 0.323 nan 8.290 nan 0.000 0.552 452 P HA -0.115 nan 4.420 nan 0.000 0.216 452 P C 2.006 179.225 177.300 -0.136 0.000 1.167 452 P CA 1.282 64.264 63.100 -0.197 0.000 0.914 452 P CB 0.079 31.703 31.700 -0.127 0.000 0.793 453 L N -2.059 119.103 121.223 -0.102 0.000 2.622 453 L HA -0.017 4.322 4.340 -0.001 0.000 0.233 453 L C 0.476 177.326 176.870 -0.034 0.000 1.156 453 L CA 0.693 55.500 54.840 -0.056 0.000 0.866 453 L CB -1.098 40.936 42.059 -0.040 0.000 0.980 453 L HN -0.091 nan 8.230 nan 0.000 0.448 454 T N -0.169 114.349 114.554 -0.060 0.000 2.743 454 T HA 0.158 4.508 4.350 -0.001 0.000 0.290 454 T C 0.357 175.120 174.700 0.105 0.000 0.908 454 T CA 0.131 62.236 62.100 0.009 0.000 1.092 454 T CB 0.378 69.218 68.868 -0.047 0.000 0.882 454 T HN 0.093 nan 8.240 nan 0.000 0.531 455 T N 3.570 118.208 114.554 0.140 0.000 2.856 455 T HA 0.767 5.116 4.350 -0.001 0.000 0.283 455 T C -0.796 174.060 174.700 0.260 0.000 1.008 455 T CA -0.852 61.337 62.100 0.148 0.000 0.997 455 T CB 0.467 69.349 68.868 0.024 0.000 0.992 455 T HN 0.437 nan 8.240 nan 0.000 0.454 456 F N 0.751 120.725 119.950 0.041 0.000 3.168 456 F HA 0.869 5.395 4.527 -0.001 0.000 0.330 456 F C -0.592 175.258 175.800 0.084 0.000 1.220 456 F CA -1.338 56.709 58.000 0.077 0.000 0.960 456 F CB 0.957 40.025 39.000 0.113 0.000 1.501 456 F HN 0.523 nan 8.300 nan 0.000 0.521 457 S N -0.778 115.044 115.700 0.202 0.000 2.513 457 S HA 0.318 4.787 4.470 -0.001 0.000 0.299 457 S C -1.216 173.551 174.600 0.277 0.000 1.087 457 S CA -0.498 57.763 58.200 0.102 0.000 1.012 457 S CB 0.471 63.749 63.200 0.131 0.000 1.044 457 S HN 0.932 nan 8.310 nan 0.000 0.485 458 H N 4.575 123.682 119.070 0.061 0.000 2.964 458 H HA 0.203 4.759 4.556 -0.001 0.000 0.328 458 H C -1.776 173.637 175.328 0.141 0.000 1.030 458 H CA -0.922 55.199 56.048 0.122 0.000 1.445 458 H CB 0.806 30.591 29.762 0.038 0.000 1.449 458 H HN 0.547 nan 8.280 nan 0.000 0.581 459 P HA -0.080 nan 4.420 nan 0.000 0.276 459 P C -0.644 176.622 177.300 -0.057 0.000 1.264 459 P CA -0.195 62.866 63.100 -0.064 0.000 0.815 459 P CB 0.607 32.242 31.700 -0.108 0.000 1.121 460 S N -1.872 113.851 115.700 0.038 0.000 2.677 460 S HA 0.737 5.206 4.470 -0.001 0.000 0.304 460 S C -2.657 171.908 174.600 -0.058 0.000 1.108 460 S CA -1.450 56.781 58.200 0.051 0.000 0.944 460 S CB 1.139 64.453 63.200 0.189 0.000 1.127 460 S HN 0.380 nan 8.310 nan 0.000 0.511 461 P HA 0.498 nan 4.420 nan 0.000 0.282 461 P C -1.196 175.837 177.300 -0.445 0.000 1.259 461 P CA -0.638 62.332 63.100 -0.216 0.000 0.826 461 P CB 1.125 32.667 31.700 -0.263 0.000 1.064 462 V N 3.058 122.596 119.914 -0.626 0.000 2.398 462 V HA 0.060 4.179 4.120 -0.001 0.000 0.286 462 V C 1.301 176.900 176.094 -0.826 0.000 1.026 462 V CA -0.481 61.289 62.300 -0.883 0.000 0.868 462 V CB 0.651 31.900 31.823 -0.957 0.000 0.982 462 V HN 0.577 nan 8.190 nan 0.000 0.443 463 Y N 7.895 127.569 120.300 -1.042 0.000 2.169 463 Y HA -0.008 4.541 4.550 -0.001 0.000 0.219 463 Y C -1.351 174.134 175.900 -0.693 0.000 0.994 463 Y CA 1.115 58.395 58.100 -1.366 0.000 0.986 463 Y CB -0.899 36.688 38.460 -1.455 0.000 0.961 463 Y HN 0.480 nan 8.280 nan 0.000 0.518 464 P HA 0.036 nan 4.420 nan 0.000 0.275 464 P C -0.603 176.447 177.300 -0.417 0.000 1.266 464 P CA 0.681 63.184 63.100 -0.996 0.000 0.793 464 P CB 1.106 32.448 31.700 -0.596 0.000 1.074 465 Q N -2.709 117.130 119.800 0.066 0.000 2.281 465 Q HA -0.210 4.130 4.340 -0.001 0.000 0.148 465 Q C 1.079 177.079 176.000 -0.000 0.000 1.069 465 Q CA 2.028 57.859 55.803 0.046 0.000 1.297 465 Q CB -2.840 25.747 28.738 -0.252 0.000 1.268 465 Q HN 0.791 nan 8.270 nan 0.000 0.952 466 G N 0.583 109.324 108.800 -0.097 0.000 2.544 466 G HA2 0.257 4.216 3.960 -0.001 0.000 0.242 466 G HA3 0.257 4.216 3.960 -0.001 0.000 0.242 466 G C -0.463 174.561 174.900 0.207 0.000 1.247 466 G CA -0.044 45.096 45.100 0.067 0.000 0.840 466 G HN 0.199 nan 8.290 nan 0.000 0.578 467 Q N 0.469 120.364 119.800 0.160 0.000 2.259 467 Q HA 0.408 4.747 4.340 -0.001 0.000 0.246 467 Q C 0.603 176.616 176.000 0.022 0.000 0.920 467 Q CA -0.673 55.129 55.803 -0.002 0.000 0.895 467 Q CB 1.058 29.792 28.738 -0.007 0.000 1.220 467 Q HN 0.533 nan 8.270 nan 0.000 0.439 468 I N 1.250 121.623 120.570 -0.327 0.000 2.731 468 I HA 0.121 4.290 4.170 -0.001 0.000 0.235 468 I C 0.366 176.613 176.117 0.217 0.000 1.064 468 I CA 0.068 61.213 61.300 -0.258 0.000 1.439 468 I CB -0.121 37.500 38.000 -0.631 0.000 1.255 468 I HN 0.663 nan 8.210 nan 0.000 0.446 469 W N 0.548 121.919 121.300 0.119 0.000 2.804 469 W HA 0.735 5.394 4.660 -0.001 0.000 0.352 469 W C -1.284 175.401 176.519 0.277 0.000 1.153 469 W CA -0.702 56.787 57.345 0.240 0.000 1.119 469 W CB 0.534 30.133 29.460 0.231 0.000 1.448 469 W HN -0.119 nan 8.180 nan 0.000 0.600 470 D N 0.113 120.864 120.400 0.585 0.000 2.623 470 D HA 0.200 4.839 4.640 -0.001 0.000 0.241 470 D C -1.397 175.178 176.300 0.458 0.000 1.241 470 D CA -0.817 53.501 54.000 0.529 0.000 0.788 470 D CB 2.021 43.067 40.800 0.410 0.000 1.413 470 D HN 0.506 nan 8.370 nan 0.000 0.429 471 K N 0.957 121.562 120.400 0.341 0.000 2.138 471 K HA 0.381 4.701 4.320 -0.001 0.000 0.251 471 K C -0.509 176.222 176.600 0.217 0.000 1.015 471 K CA -0.376 55.922 56.287 0.017 0.000 0.917 471 K CB 0.997 33.172 32.500 -0.543 0.000 1.021 471 K HN 0.381 nan 8.250 nan 0.000 0.485 472 E N 2.184 122.472 120.200 0.147 0.000 2.214 472 E HA 0.191 4.540 4.350 -0.001 0.000 0.274 472 E C -0.824 175.876 176.600 0.166 0.000 0.977 472 E CA -0.695 55.849 56.400 0.239 0.000 0.827 472 E CB 0.772 30.561 29.700 0.148 0.000 1.130 472 E HN 0.399 nan 8.360 nan 0.000 0.394 473 L N 3.326 124.655 121.223 0.177 0.000 2.499 473 L HA 0.054 4.393 4.340 -0.001 0.000 0.273 473 L C 0.561 177.476 176.870 0.075 0.000 1.195 473 L CA 0.618 55.513 54.840 0.091 0.000 0.882 473 L CB 0.363 42.455 42.059 0.055 0.000 1.133 473 L HN 0.728 nan 8.230 nan 0.000 0.483 474 D N 3.884 124.317 120.400 0.055 0.000 2.977 474 D HA 0.104 4.744 4.640 -0.001 0.000 0.241 474 D C -0.012 176.314 176.300 0.042 0.000 1.206 474 D CA 0.110 54.135 54.000 0.042 0.000 0.902 474 D CB -0.394 40.427 40.800 0.035 0.000 1.131 474 D HN 0.316 nan 8.370 nan 0.000 0.447 475 L N 1.726 122.980 121.223 0.051 0.000 2.265 475 L HA 0.190 4.529 4.340 -0.001 0.000 0.289 475 L C 1.795 178.690 176.870 0.042 0.000 1.033 475 L CA -0.668 54.208 54.840 0.059 0.000 0.814 475 L CB 1.537 43.642 42.059 0.076 0.000 1.203 475 L HN 0.080 nan 8.230 nan 0.000 0.423 476 E N 1.521 121.736 120.200 0.024 0.000 2.324 476 E HA -0.249 4.100 4.350 -0.001 0.000 0.205 476 E C -0.199 176.224 176.600 -0.294 0.000 1.031 476 E CA 1.563 57.909 56.400 -0.090 0.000 0.836 476 E CB -0.402 29.268 29.700 -0.050 0.000 0.742 476 E HN 0.607 nan 8.360 nan 0.000 0.491 477 H N 0.615 119.709 119.070 0.041 0.000 2.860 477 H HA 0.250 4.805 4.556 -0.001 0.000 0.312 477 H C -0.110 175.253 175.328 0.058 0.000 0.995 477 H CA -0.781 55.295 56.048 0.047 0.000 1.311 477 H CB 1.000 30.788 29.762 0.043 0.000 1.478 477 H HN -0.105 nan 8.280 nan 0.000 0.508 478 K N 2.982 123.457 120.400 0.125 0.000 2.102 478 K HA 0.313 4.632 4.320 -0.001 0.000 0.244 478 K C -2.109 174.579 176.600 0.148 0.000 1.021 478 K CA -1.670 54.695 56.287 0.130 0.000 0.913 478 K CB 0.314 32.882 32.500 0.113 0.000 1.062 478 K HN 0.486 nan 8.250 nan 0.000 0.485 479 P HA 0.369 nan 4.420 nan 0.000 0.294 479 P C -0.193 177.226 177.300 0.199 0.000 1.294 479 P CA -0.568 62.635 63.100 0.171 0.000 0.827 479 P CB 1.083 32.888 31.700 0.175 0.000 0.992 480 R N 1.311 121.925 120.500 0.191 0.000 2.397 480 R HA 0.047 4.386 4.340 -0.001 0.000 0.213 480 R C 0.521 176.970 176.300 0.247 0.000 1.102 480 R CA 0.627 56.853 56.100 0.210 0.000 1.040 480 R CB -0.845 29.613 30.300 0.265 0.000 0.844 480 R HN 0.542 nan 8.270 nan 0.000 0.478 481 L N -6.340 115.050 121.223 0.279 0.000 3.135 481 L HA 0.193 4.532 4.340 -0.001 0.000 0.242 481 L C -1.659 175.481 176.870 0.450 0.000 0.967 481 L CA -0.926 54.103 54.840 0.315 0.000 1.072 481 L CB 0.814 43.108 42.059 0.392 0.000 1.522 481 L HN -0.087 nan 8.230 nan 0.000 0.403 482 H N 1.214 120.387 119.070 0.173 0.000 2.524 482 H HA 0.643 5.198 4.556 -0.001 0.000 0.353 482 H C 0.405 175.779 175.328 0.077 0.000 1.136 482 H CA -0.560 55.556 56.048 0.115 0.000 1.193 482 H CB 2.317 32.154 29.762 0.126 0.000 1.558 482 H HN 0.796 nan 8.280 nan 0.000 0.515 483 I N -0.765 119.902 120.570 0.162 0.000 3.419 483 I HA -0.016 4.153 4.170 -0.001 0.000 0.286 483 I C 1.350 177.515 176.117 0.080 0.000 1.268 483 I CA 0.425 61.772 61.300 0.078 0.000 1.414 483 I CB -1.316 36.706 38.000 0.037 0.000 1.074 483 I HN 0.446 nan 8.210 nan 0.000 0.457 484 T N 2.034 116.660 114.554 0.121 0.000 2.720 484 T HA 0.200 4.549 4.350 -0.001 0.000 0.268 484 T C 1.007 175.782 174.700 0.125 0.000 1.037 484 T CA 1.705 63.871 62.100 0.109 0.000 1.144 484 T CB -0.204 68.745 68.868 0.135 0.000 0.864 484 T HN 0.681 nan 8.240 nan 0.000 0.444 485 A N -0.095 122.821 122.820 0.160 0.000 2.581 485 A HA 0.647 4.967 4.320 -0.001 0.000 0.290 485 A C -2.377 175.279 177.584 0.120 0.000 1.119 485 A CA -1.251 50.875 52.037 0.148 0.000 0.670 485 A CB 0.500 19.599 19.000 0.165 0.000 1.280 485 A HN -0.072 nan 8.150 nan 0.000 0.425 486 P HA 0.162 nan 4.420 nan 0.000 0.216 486 P C -0.223 177.037 177.300 -0.067 0.000 1.156 486 P CA 0.907 63.977 63.100 -0.050 0.000 0.855 486 P CB 0.058 31.612 31.700 -0.243 0.000 0.786 487 F N -0.170 119.956 119.950 0.293 0.000 2.404 487 F HA 0.298 4.824 4.527 -0.001 0.000 0.354 487 F C 0.068 175.997 175.800 0.215 0.000 1.122 487 F CA -1.082 57.054 58.000 0.227 0.000 1.080 487 F CB 0.758 39.871 39.000 0.189 0.000 1.131 487 F HN -0.370 nan 8.300 nan 0.000 0.471 488 V N 2.419 122.520 119.914 0.310 0.000 2.409 488 V HA 0.252 4.371 4.120 -0.001 0.000 0.291 488 V C -0.233 175.979 176.094 0.196 0.000 1.020 488 V CA -1.158 61.237 62.300 0.158 0.000 0.848 488 V CB 1.124 32.888 31.823 -0.099 0.000 0.990 488 V HN 0.823 nan 8.190 nan 0.000 0.430 489 C N 5.263 124.705 119.300 0.238 0.000 2.651 489 C HA 0.111 4.570 4.460 -0.001 0.000 0.410 489 C C 2.052 177.116 174.990 0.123 0.000 1.372 489 C CA -0.425 58.720 59.018 0.212 0.000 1.707 489 C CB -0.893 26.987 27.740 0.234 0.000 2.501 489 C HN 0.961 nan 8.230 nan 0.000 0.598 490 K N 2.478 122.937 120.400 0.099 0.000 2.097 490 K HA -0.116 4.204 4.320 -0.001 0.000 0.206 490 K C 1.320 177.945 176.600 0.042 0.000 1.049 490 K CA 1.281 57.604 56.287 0.059 0.000 0.933 490 K CB 0.025 32.551 32.500 0.043 0.000 0.717 490 K HN 0.829 nan 8.250 nan 0.000 0.442 491 N N 0.525 119.250 118.700 0.042 0.000 2.982 491 N HA -0.058 4.681 4.740 -0.001 0.000 0.319 491 N C -0.164 175.366 175.510 0.032 0.000 1.372 491 N CA -0.484 52.580 53.050 0.023 0.000 0.735 491 N CB -0.552 37.937 38.487 0.003 0.000 1.158 491 N HN -0.097 nan 8.380 nan 0.000 0.505 492 N N -0.210 118.506 118.700 0.028 0.000 2.354 492 N HA 0.324 5.063 4.740 -0.001 0.000 0.246 492 N C -1.105 174.440 175.510 0.058 0.000 1.285 492 N CA -0.118 52.941 53.050 0.016 0.000 0.925 492 N CB 0.786 39.276 38.487 0.004 0.000 1.174 492 N HN 0.692 nan 8.380 nan 0.000 0.478 493 A N 1.234 124.017 122.820 -0.062 0.000 2.479 493 A HA 0.589 4.909 4.320 -0.001 0.000 0.296 493 A C -2.659 174.627 177.584 -0.496 0.000 1.121 493 A CA -1.473 50.445 52.037 -0.198 0.000 0.743 493 A CB 1.009 19.932 19.000 -0.128 0.000 1.323 493 A HN 0.476 nan 8.150 nan 0.000 0.415 494 P HA 0.057 nan 4.420 nan 0.000 0.257 494 P C 0.435 177.591 177.300 -0.240 0.000 1.153 494 P CA 1.093 63.707 63.100 -0.811 0.000 0.762 494 P CB 0.161 31.519 31.700 -0.571 0.000 0.743 495 G N 3.791 112.470 108.800 -0.202 0.000 2.441 495 G HA2 0.096 4.055 3.960 -0.001 0.000 0.243 495 G HA3 0.096 4.055 3.960 -0.001 0.000 0.243 495 G C -0.290 174.615 174.900 0.009 0.000 1.281 495 G CA -0.569 44.484 45.100 -0.077 0.000 0.854 495 G HN 0.448 nan 8.290 nan 0.000 0.560 496 Q N 0.838 120.656 119.800 0.028 0.000 2.327 496 Q HA 0.176 4.516 4.340 -0.001 0.000 0.254 496 Q C 0.020 175.987 176.000 -0.055 0.000 0.952 496 Q CA -0.020 55.794 55.803 0.018 0.000 0.884 496 Q CB 1.646 30.363 28.738 -0.035 0.000 1.224 496 Q HN 0.572 nan 8.270 nan 0.000 0.422 497 M N 4.127 123.716 119.600 -0.018 0.000 2.069 497 M HA 0.296 4.775 4.480 -0.001 0.000 0.349 497 M C -1.534 174.722 176.300 -0.074 0.000 1.194 497 M CA -0.309 54.975 55.300 -0.027 0.000 1.081 497 M CB 0.297 32.943 32.600 0.077 0.000 1.500 497 M HN 0.511 nan 8.290 nan 0.000 0.438 498 L N 5.512 126.655 121.223 -0.134 0.000 2.325 498 L HA 0.738 5.077 4.340 -0.001 0.000 0.279 498 L C -0.722 176.215 176.870 0.112 0.000 1.054 498 L CA -0.904 53.898 54.840 -0.064 0.000 0.804 498 L CB 1.683 43.606 42.059 -0.228 0.000 1.200 498 L HN 0.437 nan 8.230 nan 0.000 0.436 499 V N 2.497 122.558 119.914 0.244 0.000 3.007 499 V HA 0.694 4.814 4.120 -0.001 0.000 0.311 499 V C -0.594 175.548 176.094 0.080 0.000 1.120 499 V CA -0.786 61.625 62.300 0.185 0.000 0.980 499 V CB 2.493 34.329 31.823 0.022 0.000 1.033 499 V HN 0.913 nan 8.190 nan 0.000 0.429 500 R N 2.768 123.133 120.500 -0.225 0.000 2.634 500 R HA 0.642 4.981 4.340 -0.001 0.000 0.263 500 R C -2.172 173.898 176.300 -0.383 0.000 1.060 500 R CA -0.789 54.993 56.100 -0.529 0.000 0.898 500 R CB 1.472 30.892 30.300 -1.465 0.000 1.253 500 R HN 0.621 nan 8.270 nan 0.000 0.461 501 L N 1.735 122.794 121.223 -0.273 0.000 2.466 501 L HA 0.490 4.829 4.340 -0.001 0.000 0.257 501 L C 0.857 177.601 176.870 -0.210 0.000 1.189 501 L CA -0.237 54.494 54.840 -0.181 0.000 0.813 501 L CB 1.125 43.118 42.059 -0.110 0.000 1.118 501 L HN 0.922 nan 8.230 nan 0.000 0.471 502 G N 0.926 109.642 108.800 -0.141 0.000 2.377 502 G HA2 0.464 4.423 3.960 -0.001 0.000 0.299 502 G HA3 0.464 4.423 3.960 -0.001 0.000 0.299 502 G C -2.403 172.442 174.900 -0.092 0.000 1.150 502 G CA -0.981 44.047 45.100 -0.119 0.000 0.847 502 G HN 0.426 nan 8.290 nan 0.000 0.501 503 P HA 0.016 nan 4.420 nan 0.000 0.263 503 P C -0.606 176.654 177.300 -0.068 0.000 1.247 503 P CA -0.357 62.700 63.100 -0.072 0.000 0.876 503 P CB 0.598 32.254 31.700 -0.074 0.000 0.928 504 N N 4.558 123.228 118.700 -0.050 0.000 2.482 504 N HA 0.146 4.885 4.740 -0.001 0.000 0.242 504 N C 0.065 175.549 175.510 -0.044 0.000 1.100 504 N CA -0.122 52.904 53.050 -0.041 0.000 0.946 504 N CB -0.040 38.435 38.487 -0.020 0.000 1.227 504 N HN 0.391 nan 8.380 nan 0.000 0.508 505 L N 1.407 122.588 121.223 -0.070 0.000 2.472 505 L HA 0.221 4.560 4.340 -0.001 0.000 0.260 505 L C 1.370 178.221 176.870 -0.033 0.000 1.209 505 L CA -0.195 54.598 54.840 -0.079 0.000 0.817 505 L CB 0.695 42.657 42.059 -0.162 0.000 1.106 505 L HN 0.486 nan 8.230 nan 0.000 0.479 506 T N -3.538 111.012 114.554 -0.007 0.000 2.893 506 T HA 0.134 4.483 4.350 -0.001 0.000 0.279 506 T C 0.732 175.450 174.700 0.031 0.000 0.991 506 T CA -0.484 61.626 62.100 0.018 0.000 0.950 506 T CB 1.124 70.013 68.868 0.035 0.000 1.223 506 T HN 0.718 nan 8.240 nan 0.000 0.585 507 D N -0.906 119.516 120.400 0.035 0.000 2.269 507 D HA -0.105 4.535 4.640 -0.001 0.000 0.208 507 D C 0.268 176.608 176.300 0.067 0.000 0.963 507 D CA 0.592 54.617 54.000 0.042 0.000 0.864 507 D CB 0.079 40.897 40.800 0.031 0.000 0.936 507 D HN 0.348 nan 8.370 nan 0.000 0.505 508 Q N -0.222 119.626 119.800 0.080 0.000 2.290 508 Q HA 0.354 4.693 4.340 -0.001 0.000 0.259 508 Q C -1.606 174.511 176.000 0.194 0.000 0.941 508 Q CA -0.551 55.312 55.803 0.100 0.000 0.912 508 Q CB 1.750 30.527 28.738 0.065 0.000 1.244 508 Q HN 0.296 nan 8.270 nan 0.000 0.441 509 Y N 1.657 121.963 120.300 0.010 0.000 2.376 509 Y HA 0.241 4.790 4.550 -0.001 0.000 0.321 509 Y C -1.920 173.987 175.900 0.012 0.000 1.189 509 Y CA -1.062 57.045 58.100 0.012 0.000 1.069 509 Y CB 1.594 40.062 38.460 0.013 0.000 1.292 509 Y HN 0.554 nan 8.280 nan 0.000 0.430 510 D N 7.364 127.372 120.400 -0.653 0.000 2.788 510 D HA 0.484 5.124 4.640 -0.001 0.000 0.247 510 D C -2.408 173.456 176.300 -0.727 0.000 1.236 510 D CA -2.162 51.527 54.000 -0.518 0.000 0.898 510 D CB 2.929 43.591 40.800 -0.231 0.000 1.401 510 D HN 0.242 nan 8.370 nan 0.000 0.549 511 P HA -0.048 nan 4.420 nan 0.000 0.216 511 P C 0.323 177.520 177.300 -0.171 0.000 1.153 511 P CA 0.963 63.853 63.100 -0.350 0.000 0.848 511 P CB 0.223 31.842 31.700 -0.135 0.000 0.787 512 N N -0.778 117.839 118.700 -0.138 0.000 2.494 512 N HA 0.030 4.769 4.740 -0.001 0.000 0.182 512 N C 1.114 176.575 175.510 -0.082 0.000 1.076 512 N CA 0.517 53.520 53.050 -0.078 0.000 0.908 512 N CB -0.860 37.591 38.487 -0.059 0.000 0.967 512 N HN 0.068 nan 8.380 nan 0.000 0.449 513 G N 0.153 108.876 108.800 -0.128 0.000 2.334 513 G HA2 0.340 4.299 3.960 -0.001 0.000 0.261 513 G HA3 0.340 4.299 3.960 -0.001 0.000 0.261 513 G C 1.138 176.002 174.900 -0.061 0.000 1.257 513 G CA 0.034 45.073 45.100 -0.101 0.000 0.935 513 G HN 0.254 nan 8.290 nan 0.000 0.480 514 A N 3.173 125.971 122.820 -0.037 0.000 1.900 514 A HA -0.139 4.180 4.320 -0.001 0.000 0.250 514 A C 1.400 178.980 177.584 -0.007 0.000 2.132 514 A CA 2.235 54.261 52.037 -0.018 0.000 0.861 514 A CB -0.945 18.047 19.000 -0.015 0.000 0.830 514 A HN 1.038 nan 8.150 nan 0.000 0.499 515 T N -0.764 113.789 114.554 -0.001 0.000 3.193 515 T HA 0.562 4.911 4.350 -0.001 0.000 0.332 515 T C -0.727 173.987 174.700 0.024 0.000 1.208 515 T CA 0.099 62.209 62.100 0.017 0.000 1.080 515 T CB 1.367 70.243 68.868 0.012 0.000 1.180 515 T HN 1.066 nan 8.240 nan 0.000 0.469 516 L N -0.352 120.903 121.223 0.053 0.000 2.409 516 L HA 0.911 5.250 4.340 -0.001 0.000 0.255 516 L C 0.186 177.105 176.870 0.082 0.000 1.027 516 L CA -1.387 53.494 54.840 0.068 0.000 0.834 516 L CB 1.804 43.913 42.059 0.082 0.000 1.426 516 L HN 0.668 nan 8.230 nan 0.000 0.411 517 S N 0.697 116.440 115.700 0.072 0.000 2.563 517 S HA 0.445 4.914 4.470 -0.001 0.000 0.284 517 S C -0.160 174.477 174.600 0.062 0.000 1.331 517 S CA -0.337 57.898 58.200 0.058 0.000 1.047 517 S CB 0.243 63.471 63.200 0.047 0.000 0.859 517 S HN 0.938 nan 8.310 nan 0.000 0.514 518 R N 0.816 121.338 120.500 0.036 0.000 2.566 518 R HA 0.523 4.862 4.340 -0.001 0.000 0.271 518 R C -1.310 174.999 176.300 0.016 0.000 1.071 518 R CA -0.913 55.198 56.100 0.019 0.000 0.915 518 R CB 0.554 30.861 30.300 0.012 0.000 1.228 518 R HN 0.592 nan 8.270 nan 0.000 0.449 519 I N 2.936 123.512 120.570 0.011 0.000 2.668 519 I HA -0.031 4.138 4.170 -0.001 0.000 0.285 519 I C 0.565 176.697 176.117 0.026 0.000 1.168 519 I CA -0.320 60.989 61.300 0.016 0.000 1.424 519 I CB 0.736 38.744 38.000 0.014 0.000 1.377 519 I HN 0.353 nan 8.210 nan 0.000 0.560 520 V N 6.198 126.131 119.914 0.032 0.000 2.694 520 V HA 0.054 4.173 4.120 -0.001 0.000 0.306 520 V C 0.453 176.599 176.094 0.087 0.000 1.054 520 V CA 0.567 62.897 62.300 0.050 0.000 1.161 520 V CB 0.244 32.091 31.823 0.040 0.000 0.916 520 V HN 0.918 nan 8.190 nan 0.000 0.490 521 T N 4.160 118.784 114.554 0.117 0.000 2.886 521 T HA 0.621 4.970 4.350 -0.001 0.000 0.330 521 T C -1.052 173.787 174.700 0.232 0.000 1.488 521 T CA -0.648 61.552 62.100 0.166 0.000 1.054 521 T CB 1.601 70.508 68.868 0.064 0.000 1.348 521 T HN 0.814 nan 8.240 nan 0.000 0.489 522 Y N -1.095 119.188 120.300 -0.029 0.000 2.670 522 Y HA 0.883 5.433 4.550 -0.001 0.000 0.334 522 Y C -0.468 175.347 175.900 -0.141 0.000 1.185 522 Y CA -1.068 56.973 58.100 -0.099 0.000 1.053 522 Y CB 1.182 39.582 38.460 -0.101 0.000 1.298 522 Y HN 1.057 nan 8.280 nan 0.000 0.459 523 G N -0.114 108.383 108.800 -0.504 0.000 2.645 523 G HA2 0.614 4.573 3.960 -0.001 0.000 0.292 523 G HA3 0.614 4.573 3.960 -0.001 0.000 0.292 523 G C -1.451 173.194 174.900 -0.424 0.000 1.415 523 G CA -0.454 44.326 45.100 -0.532 0.000 0.785 523 G HN 1.263 nan 8.290 nan 0.000 0.483 524 T N -2.555 111.836 114.554 -0.273 0.000 2.816 524 T HA 0.873 5.223 4.350 -0.001 0.000 0.299 524 T C -0.982 173.667 174.700 -0.084 0.000 1.230 524 T CA -0.595 61.332 62.100 -0.288 0.000 1.007 524 T CB 1.943 70.622 68.868 -0.314 0.000 1.289 524 T HN 2.035 nan 8.240 nan 0.000 0.508 525 F N -1.563 118.247 119.950 -0.234 0.000 2.829 525 F HA 0.738 5.265 4.527 -0.001 0.000 0.319 525 F C -2.415 173.200 175.800 -0.308 0.000 1.153 525 F CA -1.945 55.953 58.000 -0.170 0.000 0.912 525 F CB 0.477 39.441 39.000 -0.061 0.000 1.292 525 F HN 0.597 nan 8.300 nan 0.000 0.447 526 F N 1.548 121.430 119.950 -0.113 0.000 2.432 526 F HA 0.551 5.078 4.527 -0.001 0.000 0.329 526 F C -0.658 175.119 175.800 -0.037 0.000 1.076 526 F CA -0.759 57.083 58.000 -0.264 0.000 1.018 526 F CB 1.546 40.143 39.000 -0.672 0.000 1.201 526 F HN 0.747 nan 8.300 nan 0.000 0.489 527 W N 4.235 125.623 121.300 0.147 0.000 2.702 527 W HA 0.583 5.242 4.660 -0.001 0.000 0.331 527 W C -1.544 175.109 176.519 0.224 0.000 1.049 527 W CA -1.087 56.401 57.345 0.239 0.000 1.230 527 W CB 1.273 30.870 29.460 0.229 0.000 1.408 527 W HN 0.340 nan 8.180 nan 0.000 0.492 528 K N 4.308 124.260 120.400 -0.747 0.000 2.397 528 K HA 0.669 4.988 4.320 -0.001 0.000 0.253 528 K C -0.547 175.285 176.600 -1.281 0.000 0.932 528 K CA -0.785 55.032 56.287 -0.784 0.000 0.795 528 K CB 1.610 34.036 32.500 -0.123 0.000 1.159 528 K HN 0.774 nan 8.250 nan 0.000 0.424 529 G N 2.507 110.593 108.800 -1.189 0.000 2.481 529 G HA2 0.399 4.358 3.960 -0.001 0.000 0.315 529 G HA3 0.399 4.358 3.960 -0.001 0.000 0.315 529 G C -1.516 173.516 174.900 0.221 0.000 1.231 529 G CA -0.449 44.424 45.100 -0.380 0.000 0.968 529 G HN 0.415 nan 8.290 nan 0.000 0.482 530 K N 1.186 121.751 120.400 0.275 0.000 2.545 530 K HA 0.517 4.837 4.320 -0.001 0.000 0.252 530 K C -1.930 174.634 176.600 -0.061 0.000 0.948 530 K CA -0.750 55.608 56.287 0.118 0.000 0.827 530 K CB 1.921 34.427 32.500 0.011 0.000 1.128 530 K HN 0.311 nan 8.250 nan 0.000 0.429 531 L N 3.811 124.890 121.223 -0.241 0.000 2.376 531 L HA 0.458 4.798 4.340 -0.001 0.000 0.275 531 L C -0.877 175.833 176.870 -0.266 0.000 0.987 531 L CA -0.069 54.484 54.840 -0.478 0.000 0.828 531 L CB 1.797 43.140 42.059 -1.193 0.000 1.249 531 L HN 0.700 nan 8.230 nan 0.000 0.409 532 T N 2.702 117.143 114.554 -0.189 0.000 2.823 532 T HA 0.816 5.165 4.350 -0.001 0.000 0.279 532 T C -0.114 174.498 174.700 -0.146 0.000 0.998 532 T CA -0.668 61.350 62.100 -0.137 0.000 0.994 532 T CB 1.352 70.168 68.868 -0.087 0.000 0.960 532 T HN 0.557 nan 8.240 nan 0.000 0.448 533 M N 1.720 121.249 119.600 -0.117 0.000 2.691 533 M HA 0.591 5.070 4.480 -0.001 0.000 0.293 533 M C -0.458 175.818 176.300 -0.040 0.000 1.259 533 M CA -0.980 54.266 55.300 -0.090 0.000 0.827 533 M CB 2.970 35.545 32.600 -0.041 0.000 1.753 533 M HN 0.733 nan 8.290 nan 0.000 0.465 534 R N 0.801 121.302 120.500 0.002 0.000 2.532 534 R HA 0.892 5.231 4.340 -0.001 0.000 0.297 534 R C -2.074 174.304 176.300 0.130 0.000 0.984 534 R CA -0.343 55.801 56.100 0.073 0.000 0.884 534 R CB 1.759 32.104 30.300 0.076 0.000 1.182 534 R HN 0.861 nan 8.270 nan 0.000 0.442 535 A N 3.446 126.354 122.820 0.147 0.000 2.524 535 A HA 0.693 5.012 4.320 -0.001 0.000 0.286 535 A C -1.559 176.060 177.584 0.058 0.000 1.203 535 A CA -0.856 51.240 52.037 0.099 0.000 0.736 535 A CB 2.001 21.039 19.000 0.064 0.000 1.322 535 A HN 0.693 nan 8.150 nan 0.000 0.424 536 K N 0.267 120.608 120.400 -0.098 0.000 2.502 536 K HA 0.648 4.967 4.320 -0.001 0.000 0.257 536 K C -1.429 175.073 176.600 -0.163 0.000 0.938 536 K CA -0.666 55.453 56.287 -0.280 0.000 0.819 536 K CB 1.442 33.512 32.500 -0.717 0.000 1.333 536 K HN 0.669 nan 8.250 nan 0.000 0.434 537 L N 4.394 125.538 121.223 -0.132 0.000 2.426 537 L HA 0.326 4.665 4.340 -0.001 0.000 0.271 537 L C 0.827 177.626 176.870 -0.118 0.000 1.169 537 L CA -0.521 54.272 54.840 -0.079 0.000 0.836 537 L CB 0.482 42.520 42.059 -0.034 0.000 1.112 537 L HN 0.699 nan 8.230 nan 0.000 0.465 538 R N 2.217 122.659 120.500 -0.096 0.000 2.679 538 R HA 0.643 4.982 4.340 -0.001 0.000 0.269 538 R C -0.524 175.726 176.300 -0.082 0.000 1.076 538 R CA -0.577 55.469 56.100 -0.089 0.000 1.160 538 R CB 0.612 30.867 30.300 -0.075 0.000 1.054 538 R HN 0.610 nan 8.270 nan 0.000 0.507 539 A N 1.417 124.195 122.820 -0.069 0.000 2.325 539 A HA 0.278 4.597 4.320 -0.001 0.000 0.333 539 A C -0.823 176.735 177.584 -0.044 0.000 1.155 539 A CA -0.928 51.074 52.037 -0.059 0.000 0.814 539 A CB 0.894 19.862 19.000 -0.053 0.000 1.206 539 A HN 0.925 nan 8.150 nan 0.000 0.482 540 N N 0.433 119.107 118.700 -0.044 0.000 2.425 540 N HA 0.399 5.138 4.740 -0.001 0.000 0.268 540 N C 0.610 176.108 175.510 -0.020 0.000 0.991 540 N CA 0.399 53.427 53.050 -0.037 0.000 0.931 540 N CB 0.894 39.348 38.487 -0.055 0.000 1.130 540 N HN 0.700 nan 8.380 nan 0.000 0.493 541 T N -0.717 113.838 114.554 0.002 0.000 3.028 541 T HA 0.006 4.355 4.350 -0.001 0.000 0.262 541 T C 1.444 176.179 174.700 0.059 0.000 0.916 541 T CA 0.595 62.709 62.100 0.024 0.000 0.873 541 T CB -0.333 68.550 68.868 0.025 0.000 1.232 541 T HN 0.546 nan 8.240 nan 0.000 0.529 542 T N -0.924 113.670 114.554 0.066 0.000 6.123 542 T HA 0.049 4.399 4.350 -0.001 0.000 0.315 542 T C 1.101 175.925 174.700 0.206 0.000 0.836 542 T CA 1.402 63.574 62.100 0.120 0.000 1.258 542 T CB -0.371 68.560 68.868 0.105 0.000 0.952 542 T HN 0.644 nan 8.240 nan 0.000 0.260 543 W N 1.726 123.027 121.300 0.002 0.000 5.315 543 W HA 0.095 4.754 4.660 -0.001 0.000 0.156 543 W C -1.227 175.291 176.519 -0.002 0.000 1.387 543 W CA 0.304 57.649 57.345 -0.001 0.000 1.815 543 W CB -0.592 28.867 29.460 -0.000 0.000 0.537 543 W HN 0.680 nan 8.180 nan 0.000 1.106 544 N N 3.700 122.601 118.700 0.335 0.000 2.497 544 N HA 0.405 5.144 4.740 -0.001 0.000 0.271 544 N C -2.442 173.118 175.510 0.083 0.000 1.142 544 N CA -0.648 52.578 53.050 0.294 0.000 0.965 544 N CB 0.960 39.602 38.487 0.259 0.000 1.077 544 N HN -0.221 nan 8.380 nan 0.000 0.462 545 P HA 0.066 nan 4.420 nan 0.000 0.286 545 P C -0.680 176.649 177.300 0.048 0.000 1.278 545 P CA -0.460 62.643 63.100 0.004 0.000 0.785 545 P CB 0.424 32.124 31.700 -0.001 0.000 1.269 546 V N -1.992 117.956 119.914 0.057 0.000 3.204 546 V HA 0.306 4.425 4.120 -0.001 0.000 0.298 546 V C -1.535 174.657 176.094 0.163 0.000 1.328 546 V CA -1.013 61.352 62.300 0.108 0.000 1.035 546 V CB 1.539 33.417 31.823 0.092 0.000 1.095 546 V HN 0.284 nan 8.190 nan 0.000 0.442 547 Y N 4.509 124.846 120.300 0.062 0.000 2.805 547 Y HA 0.273 4.822 4.550 -0.001 0.000 0.331 547 Y C 0.208 176.133 175.900 0.041 0.000 1.241 547 Y CA 0.463 58.598 58.100 0.059 0.000 1.546 547 Y CB 0.236 38.748 38.460 0.086 0.000 1.248 547 Y HN 0.634 nan 8.280 nan 0.000 0.559 548 Q N 4.104 123.660 119.800 -0.406 0.000 2.394 548 Q HA 0.418 4.758 4.340 -0.001 0.000 0.273 548 Q C -1.134 174.488 176.000 -0.630 0.000 1.089 548 Q CA -1.079 54.467 55.803 -0.429 0.000 0.812 548 Q CB 2.416 31.043 28.738 -0.186 0.000 1.353 548 Q HN 0.466 nan 8.270 nan 0.000 0.438 549 V N 1.619 121.265 119.914 -0.447 0.000 2.470 549 V HA 0.365 4.484 4.120 -0.001 0.000 0.276 549 V C 0.416 176.397 176.094 -0.189 0.000 1.040 549 V CA 0.188 62.296 62.300 -0.319 0.000 1.008 549 V CB 0.930 32.625 31.823 -0.213 0.000 0.990 549 V HN 0.700 nan 8.190 nan 0.000 0.477 550 S N 3.925 119.567 115.700 -0.098 0.000 2.704 550 S HA 0.853 5.322 4.470 -0.001 0.000 0.296 550 S C -0.648 173.952 174.600 0.001 0.000 1.138 550 S CA -0.523 57.648 58.200 -0.048 0.000 0.875 550 S CB 2.082 65.278 63.200 -0.007 0.000 1.151 550 S HN 0.391 nan 8.310 nan 0.000 0.500 551 V N 1.442 121.367 119.914 0.018 0.000 3.177 551 V HA 0.758 4.877 4.120 -0.001 0.000 0.319 551 V C -0.546 175.608 176.094 0.099 0.000 1.125 551 V CA -0.703 61.648 62.300 0.084 0.000 1.029 551 V CB 1.796 33.669 31.823 0.084 0.000 1.119 551 V HN 0.796 nan 8.190 nan 0.000 0.452 552 E N 0.168 120.445 120.200 0.129 0.000 2.383 552 E HA 0.347 4.697 4.350 -0.001 0.000 0.275 552 E C -1.375 175.282 176.600 0.095 0.000 0.918 552 E CA -0.655 55.806 56.400 0.102 0.000 0.764 552 E CB 2.065 31.828 29.700 0.104 0.000 1.252 552 E HN 0.732 nan 8.360 nan 0.000 0.449 553 D N 0.757 121.201 120.400 0.073 0.000 2.307 553 D HA -0.144 4.495 4.640 -0.001 0.000 0.234 553 D C 0.509 176.847 176.300 0.063 0.000 1.308 553 D CA 0.376 54.413 54.000 0.063 0.000 0.886 553 D CB 0.379 41.209 40.800 0.049 0.000 1.202 553 D HN 0.261 nan 8.370 nan 0.000 0.479 554 N N -0.196 118.536 118.700 0.053 0.000 2.383 554 N HA 0.084 4.824 4.740 -0.001 0.000 0.295 554 N C -0.185 175.352 175.510 0.044 0.000 1.281 554 N CA 0.124 53.202 53.050 0.047 0.000 1.048 554 N CB -0.255 38.256 38.487 0.039 0.000 1.455 554 N HN 0.410 nan 8.380 nan 0.000 0.488 555 G N 1.314 110.143 108.800 0.050 0.000 3.251 555 G HA2 0.197 4.156 3.960 -0.001 0.000 0.248 555 G HA3 0.197 4.156 3.960 -0.001 0.000 0.248 555 G C 0.137 175.067 174.900 0.049 0.000 1.320 555 G CA -0.608 44.521 45.100 0.050 0.000 0.982 555 G HN 0.521 nan 8.290 nan 0.000 0.575 556 N N 0.137 118.870 118.700 0.053 0.000 2.238 556 N HA 0.124 4.864 4.740 -0.001 0.000 0.222 556 N C 0.404 175.961 175.510 0.079 0.000 1.133 556 N CA -0.090 52.993 53.050 0.055 0.000 0.854 556 N CB 1.183 39.697 38.487 0.045 0.000 1.041 556 N HN 0.262 nan 8.380 nan 0.000 0.510 557 S N 0.191 115.947 115.700 0.094 0.000 2.580 557 S HA 0.059 4.528 4.470 -0.001 0.000 0.274 557 S C 1.036 175.751 174.600 0.193 0.000 1.329 557 S CA -0.460 57.822 58.200 0.136 0.000 1.036 557 S CB 0.751 64.028 63.200 0.128 0.000 0.919 557 S HN 0.263 nan 8.310 nan 0.000 0.515 558 Y N 3.972 124.317 120.300 0.076 0.000 2.181 558 Y HA 0.076 4.625 4.550 -0.001 0.000 0.288 558 Y C 1.028 177.000 175.900 0.119 0.000 1.146 558 Y CA 1.578 59.726 58.100 0.081 0.000 1.164 558 Y CB -0.036 38.491 38.460 0.112 0.000 0.982 558 Y HN 0.524 nan 8.280 nan 0.000 0.515 559 M N 1.265 120.969 119.600 0.173 0.000 3.117 559 M HA 0.150 4.629 4.480 -0.001 0.000 0.292 559 M C -0.022 176.413 176.300 0.224 0.000 1.357 559 M CA 0.208 55.634 55.300 0.209 0.000 1.463 559 M CB -0.269 32.447 32.600 0.192 0.000 1.105 559 M HN 0.107 nan 8.290 nan 0.000 0.553 560 S N 1.773 117.570 115.700 0.162 0.000 2.669 560 S HA 0.384 4.853 4.470 -0.001 0.000 0.315 560 S C 1.379 176.075 174.600 0.159 0.000 1.106 560 S CA -0.740 57.537 58.200 0.128 0.000 1.107 560 S CB 0.603 63.834 63.200 0.052 0.000 0.990 560 S HN 0.529 nan 8.310 nan 0.000 0.471 561 V N 4.139 124.203 119.914 0.250 0.000 2.279 561 V HA -0.358 3.761 4.120 -0.001 0.000 0.258 561 V C 2.168 178.390 176.094 0.212 0.000 1.078 561 V CA 2.841 65.316 62.300 0.291 0.000 1.096 561 V CB -2.751 29.175 31.823 0.171 0.000 0.740 561 V HN 0.862 nan 8.190 nan 0.000 0.465 562 T N 0.276 114.885 114.554 0.092 0.000 2.736 562 T HA -0.350 4.000 4.350 -0.001 0.000 0.265 562 T C 1.669 176.335 174.700 -0.056 0.000 1.031 562 T CA 2.525 64.642 62.100 0.028 0.000 1.155 562 T CB -0.657 68.217 68.868 0.009 0.000 0.849 562 T HN 0.767 nan 8.240 nan 0.000 0.471 563 K N -0.104 120.169 120.400 -0.212 0.000 2.103 563 K HA -0.091 4.229 4.320 -0.001 0.000 0.207 563 K C 1.165 177.455 176.600 -0.516 0.000 1.048 563 K CA 1.092 57.075 56.287 -0.507 0.000 0.930 563 K CB -0.064 31.845 32.500 -0.986 0.000 0.716 563 K HN 0.506 nan 8.250 nan 0.000 0.444 564 W N 1.762 123.078 121.300 0.028 0.000 2.564 564 W HA 0.362 5.022 4.660 -0.001 0.000 0.414 564 W C -0.462 176.087 176.519 0.050 0.000 0.700 564 W CA -0.349 57.025 57.345 0.049 0.000 2.430 564 W CB -0.497 28.996 29.460 0.055 0.000 1.529 564 W HN -0.009 nan 8.180 nan 0.000 0.795 565 L N 0.521 121.824 121.223 0.134 0.000 2.376 565 L HA 0.525 4.864 4.340 -0.001 0.000 0.258 565 L C -2.289 174.615 176.870 0.056 0.000 1.013 565 L CA -1.970 52.935 54.840 0.108 0.000 0.822 565 L CB 2.836 44.949 42.059 0.090 0.000 1.388 565 L HN -0.347 nan 8.230 nan 0.000 0.413 566 P HA 0.294 nan 4.420 nan 0.000 0.278 566 P C -0.790 176.539 177.300 0.049 0.000 1.258 566 P CA -0.468 62.666 63.100 0.057 0.000 0.811 566 P CB 0.966 32.709 31.700 0.072 0.000 1.063 567 T N -2.582 112.008 114.554 0.060 0.000 2.902 567 T HA 0.518 4.867 4.350 -0.001 0.000 0.287 567 T C 1.237 175.972 174.700 0.058 0.000 1.048 567 T CA -0.038 62.095 62.100 0.055 0.000 0.941 567 T CB 0.102 69.008 68.868 0.063 0.000 1.432 567 T HN 0.215 nan 8.240 nan 0.000 0.586 568 A N 0.266 123.117 122.820 0.051 0.000 2.014 568 A HA 0.092 4.412 4.320 -0.001 0.000 0.218 568 A C 2.350 179.966 177.584 0.053 0.000 1.163 568 A CA 1.656 53.721 52.037 0.046 0.000 0.652 568 A CB -1.390 17.633 19.000 0.039 0.000 0.808 568 A HN 1.024 nan 8.150 nan 0.000 0.449 569 T N -4.707 109.885 114.554 0.064 0.000 3.060 569 T HA 0.419 4.768 4.350 -0.001 0.000 0.249 569 T C 1.112 175.873 174.700 0.101 0.000 1.079 569 T CA 0.966 63.106 62.100 0.068 0.000 1.013 569 T CB 0.157 69.060 68.868 0.058 0.000 0.975 569 T HN 1.689 nan 8.240 nan 0.000 0.518 570 G N 1.919 110.792 108.800 0.121 0.000 2.270 570 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.224 570 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.224 570 G C -0.595 174.478 174.900 0.288 0.000 1.079 570 G CA -0.609 44.600 45.100 0.181 0.000 0.807 570 G HN 0.576 nan 8.290 nan 0.000 0.492 571 N N 0.623 119.458 118.700 0.225 0.000 2.405 571 N HA 0.848 5.587 4.740 -0.001 0.000 0.299 571 N C 0.537 176.021 175.510 -0.044 0.000 1.075 571 N CA -0.094 53.137 53.050 0.302 0.000 0.884 571 N CB 1.544 40.202 38.487 0.285 0.000 1.194 571 N HN 0.656 nan 8.380 nan 0.000 0.491 572 M N -0.979 118.331 119.600 -0.484 0.000 2.520 572 M HA 0.389 4.868 4.480 -0.001 0.000 0.280 572 M C -1.478 174.442 176.300 -0.633 0.000 1.232 572 M CA -0.917 54.107 55.300 -0.460 0.000 0.892 572 M CB 2.412 34.841 32.600 -0.285 0.000 1.728 572 M HN 0.393 nan 8.290 nan 0.000 0.475 573 Q N 0.623 120.257 119.800 -0.278 0.000 2.359 573 Q HA 0.808 5.148 4.340 -0.001 0.000 0.275 573 Q C -1.156 174.843 176.000 -0.000 0.000 1.082 573 Q CA -0.964 54.756 55.803 -0.138 0.000 0.849 573 Q CB 2.398 31.077 28.738 -0.097 0.000 1.377 573 Q HN 0.695 nan 8.270 nan 0.000 0.452 574 S N 0.811 116.561 115.700 0.085 0.000 2.659 574 S HA 0.462 4.931 4.470 -0.001 0.000 0.312 574 S C -1.004 173.626 174.600 0.049 0.000 1.114 574 S CA -0.562 57.726 58.200 0.147 0.000 1.063 574 S CB 1.002 64.284 63.200 0.136 0.000 0.996 574 S HN 0.446 nan 8.310 nan 0.000 0.478 575 V N 6.997 126.978 119.914 0.112 0.000 2.481 575 V HA 0.451 4.570 4.120 -0.001 0.000 0.286 575 V C -2.160 173.990 176.094 0.092 0.000 1.042 575 V CA -2.108 60.203 62.300 0.018 0.000 0.928 575 V CB 1.134 32.911 31.823 -0.078 0.000 0.986 575 V HN 0.667 nan 8.190 nan 0.000 0.462 576 P HA 0.174 nan 4.420 nan 0.000 0.266 576 P C -0.741 176.685 177.300 0.210 0.000 1.193 576 P CA 0.272 63.370 63.100 -0.004 0.000 0.770 576 P CB 0.467 32.156 31.700 -0.017 0.000 0.836 577 L N 2.258 123.643 121.223 0.270 0.000 2.333 577 L HA 0.444 4.783 4.340 -0.001 0.000 0.263 577 L C -0.097 177.081 176.870 0.513 0.000 1.014 577 L CA -1.407 53.624 54.840 0.317 0.000 0.820 577 L CB 1.432 43.607 42.059 0.193 0.000 1.352 577 L HN 0.188 nan 8.230 nan 0.000 0.421 578 I N 0.787 121.614 120.570 0.429 0.000 2.668 578 I HA 0.056 4.225 4.170 -0.001 0.000 0.285 578 I C 0.363 176.739 176.117 0.433 0.000 1.168 578 I CA 0.792 62.358 61.300 0.443 0.000 1.424 578 I CB 0.115 38.257 38.000 0.237 0.000 1.377 578 I HN 0.424 nan 8.210 nan 0.000 0.560 579 T N 7.216 122.075 114.554 0.508 0.000 2.770 579 T HA 0.568 4.917 4.350 -0.001 0.000 0.283 579 T C 0.028 174.856 174.700 0.214 0.000 0.988 579 T CA -0.692 61.609 62.100 0.335 0.000 0.957 579 T CB 0.533 69.643 68.868 0.403 0.000 0.930 579 T HN 0.613 nan 8.240 nan 0.000 0.443 580 R N 1.715 122.273 120.500 0.096 0.000 3.025 580 R HA -0.097 4.242 4.340 -0.001 0.000 0.266 580 R C -2.249 174.163 176.300 0.188 0.000 1.060 580 R CA 0.060 56.246 56.100 0.144 0.000 0.690 580 R CB -1.330 29.089 30.300 0.198 0.000 1.322 580 R HN 0.470 nan 8.270 nan 0.000 0.382 581 P HA -0.087 nan 4.420 nan 0.000 0.222 581 P C 0.374 177.828 177.300 0.256 0.000 1.147 581 P CA 1.105 64.228 63.100 0.038 0.000 0.790 581 P CB 0.386 31.955 31.700 -0.218 0.000 0.780 582 V N 0.750 120.831 119.914 0.279 0.000 2.483 582 V HA 0.540 4.659 4.120 -0.001 0.000 0.295 582 V C 0.688 176.866 176.094 0.139 0.000 1.035 582 V CA -1.392 61.067 62.300 0.265 0.000 0.896 582 V CB 1.061 32.937 31.823 0.088 0.000 0.986 582 V HN 0.084 nan 8.190 nan 0.000 0.447 583 A N 4.186 127.030 122.820 0.040 0.000 2.511 583 A HA 0.381 4.700 4.320 -0.001 0.000 0.242 583 A C 0.777 178.319 177.584 -0.070 0.000 1.069 583 A CA 0.281 52.184 52.037 -0.224 0.000 0.763 583 A CB 0.054 19.060 19.000 0.010 0.000 1.001 583 A HN 1.003 nan 8.150 nan 0.000 0.498 584 R N 1.918 122.382 120.500 -0.060 0.000 1.634 584 R HA 0.328 4.668 4.340 -0.001 0.000 0.119 584 R C 0.082 176.435 176.300 0.089 0.000 1.930 584 R CA 0.509 56.620 56.100 0.018 0.000 1.862 584 R CB 0.304 30.599 30.300 -0.008 0.000 1.272 584 R HN 0.884 nan 8.270 nan 0.000 0.535 585 N N -1.034 117.701 118.700 0.059 0.000 4.460 585 N HA -0.011 4.728 4.740 -0.001 0.000 0.170 585 N C -1.452 174.027 175.510 -0.053 0.000 1.275 585 N CA -0.071 53.008 53.050 0.047 0.000 0.913 585 N CB 0.921 39.453 38.487 0.074 0.000 1.679 585 N HN 0.465 nan 8.380 nan 0.000 0.864 586 T N 1.704 116.105 114.554 -0.255 0.000 3.122 586 T HA 0.140 4.489 4.350 -0.001 0.000 0.250 586 T C -0.403 174.345 174.700 0.079 0.000 1.067 586 T CA 0.541 62.613 62.100 -0.047 0.000 0.966 586 T CB -0.147 68.650 68.868 -0.119 0.000 1.002 586 T HN 0.582 nan 8.240 nan 0.000 0.542 587 Y N 0.000 120.217 120.300 -0.138 0.000 2.660 587 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 587 Y CA 0.000 58.048 58.100 -0.087 0.000 1.940 587 Y CB 0.000 38.403 38.460 -0.095 0.000 1.050 587 Y HN 0.000 nan 8.280 nan 0.000 0.758