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 1bzl_1_B DATA FIRST_RESID 5 DATA SEQUENCE IFDLVVIGAG SGGLEAAWNA ATLYKKRVAV IDVQMVHGPP FFSALGGTcV DATA SEQUENCE NVGcVPKKLM VTGAQYMEHL RESAGFGWEF DRTTLRAEWK NLIAVKDEAV DATA SEQUENCE LNINKSYDEM FRDTEGLEFF LGWGSLESKN VVNVRESADP ASAVKERLET DATA SEQUENCE EHILLASGSW PHMPNIPGIE HCISSNEAFY LPEPPRRVLT VGGGFISVEF DATA SEQUENCE AGIFNAYKPK DGQVTLCYRG EMILRGFDHT LREELTKQLT ANGIQILTKE DATA SEQUENCE NPAKVELNAD GSKSVTFESG KKMDFDLVMM AIGRSPRTKD LQLQNAGVMI DATA SEQUENCE KNGGVQVDEY SRTNVSNIYA IGDVTNRVML TPVAINEAAA LVDTVFGTTP DATA SEQUENCE RKTDHTRVAS AVFSIPPIGT CGLIEEVASK RYEVVAVYLS SFTPLMHKVS DATA SEQUENCE GSKYKTFVAK IITNHSDGTV LGVHLLGDNA PEIIQGIGIC LKLNAKISDF DATA SEQUENCE YNTIGVHPTS AEELCSMRTP SYYYVKGEKM EKP 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 5 I HA 0.000 nan 4.170 nan 0.000 0.288 5 I C 0.000 175.997 176.117 -0.201 0.000 1.063 5 I CA 0.000 61.230 61.300 -0.117 0.000 1.566 5 I CB 0.000 37.911 38.000 -0.148 0.000 1.214 6 F N 3.075 123.066 119.950 0.068 0.000 2.432 6 F HA 0.464 4.992 4.527 0.002 0.000 0.329 6 F C 1.004 176.869 175.800 0.107 0.000 1.076 6 F CA 0.040 58.098 58.000 0.098 0.000 1.018 6 F CB 1.400 40.476 39.000 0.127 0.000 1.201 6 F HN -0.092 nan 8.300 nan 0.000 0.489 7 D N 0.712 121.312 120.400 0.333 0.000 2.162 7 D HA 0.046 4.687 4.640 0.002 0.000 0.203 7 D C -0.470 176.086 176.300 0.427 0.000 0.967 7 D CA 1.181 55.367 54.000 0.309 0.000 0.840 7 D CB 0.281 41.215 40.800 0.223 0.000 0.972 7 D HN 0.127 nan 8.370 nan 0.000 0.482 8 L N -0.050 121.401 121.223 0.379 0.000 2.445 8 L HA 0.494 4.835 4.340 0.002 0.000 0.262 8 L C -1.775 175.238 176.870 0.237 0.000 0.974 8 L CA -0.852 54.217 54.840 0.381 0.000 0.822 8 L CB 2.295 44.601 42.059 0.412 0.000 1.339 8 L HN -0.295 nan 8.230 nan 0.000 0.409 9 V N 4.995 125.025 119.914 0.193 0.000 2.444 9 V HA 0.562 4.683 4.120 0.002 0.000 0.294 9 V C -0.676 175.484 176.094 0.109 0.000 1.022 9 V CA -0.673 61.675 62.300 0.080 0.000 0.850 9 V CB 1.972 33.813 31.823 0.030 0.000 0.992 9 V HN 0.522 nan 8.190 nan 0.000 0.426 10 V N 6.474 126.446 119.914 0.097 0.000 2.370 10 V HA 0.459 4.580 4.120 0.002 0.000 0.283 10 V C 0.010 176.151 176.094 0.079 0.000 1.023 10 V CA -0.359 62.010 62.300 0.114 0.000 0.857 10 V CB 1.685 33.595 31.823 0.144 0.000 0.985 10 V HN 0.681 nan 8.190 nan 0.000 0.443 11 I N 5.060 125.670 120.570 0.066 0.000 2.282 11 I HA 0.632 4.804 4.170 0.002 0.000 0.290 11 I C 0.726 176.867 176.117 0.039 0.000 1.090 11 I CA 0.103 61.424 61.300 0.035 0.000 1.231 11 I CB 0.863 38.879 38.000 0.026 0.000 1.434 11 I HN 0.870 nan 8.210 nan 0.000 0.487 12 G N 4.565 113.387 108.800 0.036 0.000 3.393 12 G HA2 0.118 4.079 3.960 0.002 0.000 0.676 12 G HA3 0.118 4.079 3.960 0.002 0.000 0.676 12 G C -0.373 174.570 174.900 0.071 0.000 1.224 12 G CA -0.444 44.678 45.100 0.038 0.000 1.109 12 G HN 0.801 nan 8.290 nan 0.000 0.519 13 A N 1.663 124.530 122.820 0.077 0.000 3.202 13 A HA 0.765 5.086 4.320 0.002 0.000 0.258 13 A C 1.287 178.858 177.584 -0.022 0.000 1.572 13 A CA 1.044 53.126 52.037 0.075 0.000 1.241 13 A CB -0.258 18.816 19.000 0.124 0.000 1.127 13 A HN 1.941 nan 8.150 nan 0.000 0.648 14 G N -0.790 108.009 108.800 -0.002 0.000 2.828 14 G HA2 0.407 4.368 3.960 0.002 0.000 0.244 14 G HA3 0.407 4.368 3.960 0.002 0.000 0.244 14 G C 1.045 175.925 174.900 -0.034 0.000 1.365 14 G CA 0.416 45.502 45.100 -0.023 0.000 1.041 14 G HN 0.275 nan 8.290 nan 0.000 0.560 15 S N -0.344 115.353 115.700 -0.006 0.000 2.372 15 S HA -0.168 4.303 4.470 0.002 0.000 0.227 15 S C 2.385 177.005 174.600 0.033 0.000 1.044 15 S CA 1.938 60.145 58.200 0.011 0.000 1.050 15 S CB -0.631 62.591 63.200 0.037 0.000 0.901 15 S HN 0.804 nan 8.310 nan 0.000 0.447 16 G N 0.761 109.593 108.800 0.053 0.000 2.411 16 G HA2 0.154 4.115 3.960 0.002 0.000 0.213 16 G HA3 0.154 4.115 3.960 0.002 0.000 0.213 16 G C 1.440 176.390 174.900 0.083 0.000 1.166 16 G CA 0.691 45.835 45.100 0.072 0.000 0.802 16 G HN 0.560 nan 8.290 nan 0.000 0.533 17 G N 1.266 110.113 108.800 0.078 0.000 2.459 17 G HA2 -0.210 3.751 3.960 0.002 0.000 0.217 17 G HA3 -0.210 3.751 3.960 0.002 0.000 0.217 17 G C 1.810 176.777 174.900 0.112 0.000 1.183 17 G CA 0.868 46.027 45.100 0.099 0.000 0.776 17 G HN 0.390 nan 8.290 nan 0.000 0.552 18 L N 0.140 121.405 121.223 0.070 0.000 2.083 18 L HA -0.072 4.269 4.340 0.002 0.000 0.209 18 L C 2.794 179.738 176.870 0.124 0.000 1.083 18 L CA 1.485 56.363 54.840 0.064 0.000 0.752 18 L CB -0.318 41.690 42.059 -0.086 0.000 0.899 18 L HN 0.284 nan 8.230 nan 0.000 0.433 19 E N 0.461 120.726 120.200 0.108 0.000 2.051 19 E HA -0.205 4.146 4.350 0.002 0.000 0.192 19 E C 2.115 178.835 176.600 0.199 0.000 0.991 19 E CA 1.577 58.065 56.400 0.148 0.000 0.799 19 E CB -0.087 29.675 29.700 0.105 0.000 0.748 19 E HN 0.372 nan 8.360 nan 0.000 0.449 20 A N 0.824 123.743 122.820 0.165 0.000 1.873 20 A HA 0.006 4.327 4.320 0.002 0.000 0.215 20 A C 2.475 180.167 177.584 0.179 0.000 1.186 20 A CA 2.052 54.192 52.037 0.171 0.000 0.616 20 A CB -1.152 17.942 19.000 0.156 0.000 0.823 20 A HN 0.391 nan 8.150 nan 0.000 0.442 21 A N -1.149 121.779 122.820 0.180 0.000 1.940 21 A HA -0.193 4.128 4.320 0.002 0.000 0.219 21 A C 2.087 179.762 177.584 0.152 0.000 1.176 21 A CA 1.442 53.579 52.037 0.167 0.000 0.631 21 A CB -0.866 18.254 19.000 0.201 0.000 0.814 21 A HN 0.869 nan 8.150 nan 0.000 0.446 22 W N 2.076 123.379 121.300 0.005 0.000 2.381 22 W HA -0.248 4.413 4.660 0.002 0.000 0.323 22 W C 1.807 178.327 176.519 0.002 0.000 1.194 22 W CA 2.011 59.341 57.345 -0.026 0.000 1.296 22 W CB -0.615 28.825 29.460 -0.032 0.000 1.175 22 W HN 0.610 nan 8.180 nan 0.000 0.465 23 N N 1.002 119.750 118.700 0.081 0.000 2.520 23 N HA -0.068 4.673 4.740 0.002 0.000 0.185 23 N C 1.633 177.136 175.510 -0.012 0.000 1.068 23 N CA 1.645 54.653 53.050 -0.070 0.000 0.911 23 N CB -0.879 37.688 38.487 0.134 0.000 0.961 23 N HN 0.064 nan 8.380 nan 0.000 0.446 24 A N 0.765 123.607 122.820 0.037 0.000 1.872 24 A HA 0.227 4.548 4.320 0.002 0.000 0.214 24 A C 2.452 179.960 177.584 -0.127 0.000 1.187 24 A CA 1.427 53.463 52.037 -0.001 0.000 0.614 24 A CB -1.136 17.799 19.000 -0.108 0.000 0.826 24 A HN 0.435 nan 8.150 nan 0.000 0.442 25 A N -1.237 121.482 122.820 -0.169 0.000 1.930 25 A HA 0.019 4.340 4.320 0.002 0.000 0.217 25 A C 2.245 179.656 177.584 -0.289 0.000 1.175 25 A CA 2.172 54.092 52.037 -0.195 0.000 0.627 25 A CB -0.925 17.976 19.000 -0.164 0.000 0.815 25 A HN 0.431 nan 8.150 nan 0.000 0.443 26 T N 0.321 114.603 114.554 -0.454 0.000 2.697 26 T HA 0.028 4.379 4.350 0.002 0.000 0.244 26 T C 1.800 176.287 174.700 -0.356 0.000 1.090 26 T CA 1.171 62.961 62.100 -0.516 0.000 1.255 26 T CB -0.551 67.758 68.868 -0.932 0.000 0.931 26 T HN 0.302 nan 8.240 nan 0.000 0.406 27 L N -0.293 120.705 121.223 -0.375 0.000 2.263 27 L HA -0.134 4.207 4.340 0.002 0.000 0.216 27 L C 1.561 178.004 176.870 -0.711 0.000 1.111 27 L CA 1.601 56.126 54.840 -0.526 0.000 0.773 27 L CB -0.510 41.170 42.059 -0.631 0.000 0.906 27 L HN 0.423 nan 8.230 nan 0.000 0.439 28 Y N -1.896 118.310 120.300 -0.156 0.000 2.588 28 Y HA 0.188 4.739 4.550 0.002 0.000 0.247 28 Y C 0.611 176.414 175.900 -0.162 0.000 1.157 28 Y CA -1.009 57.007 58.100 -0.140 0.000 1.215 28 Y CB 0.461 38.821 38.460 -0.166 0.000 1.245 28 Y HN -0.099 nan 8.280 nan 0.000 0.534 29 K N 0.412 120.760 120.400 -0.087 0.000 3.035 29 K HA -0.193 4.128 4.320 0.002 0.000 0.262 29 K C -0.680 175.877 176.600 -0.072 0.000 1.024 29 K CA 0.600 56.835 56.287 -0.086 0.000 0.748 29 K CB -1.242 31.222 32.500 -0.061 0.000 1.247 29 K HN 0.264 nan 8.250 nan 0.000 0.482 30 K N 0.896 121.223 120.400 -0.122 0.000 2.098 30 K HA 0.259 4.580 4.320 0.002 0.000 0.261 30 K C 0.496 177.077 176.600 -0.031 0.000 0.987 30 K CA -0.647 55.562 56.287 -0.131 0.000 0.916 30 K CB 1.128 33.395 32.500 -0.389 0.000 1.039 30 K HN 0.134 nan 8.250 nan 0.000 0.455 31 R N 1.616 122.153 120.500 0.061 0.000 2.210 31 R HA 0.250 4.591 4.340 0.002 0.000 0.338 31 R C -0.833 175.693 176.300 0.377 0.000 1.062 31 R CA -0.301 55.916 56.100 0.196 0.000 0.902 31 R CB 0.382 30.764 30.300 0.137 0.000 1.050 31 R HN 0.233 nan 8.270 nan 0.000 0.461 32 V N 3.270 123.379 119.914 0.326 0.000 2.581 32 V HA 0.653 4.774 4.120 0.002 0.000 0.303 32 V C -0.281 175.856 176.094 0.072 0.000 1.041 32 V CA -0.842 61.591 62.300 0.222 0.000 0.907 32 V CB 1.758 33.663 31.823 0.137 0.000 0.994 32 V HN 0.887 nan 8.190 nan 0.000 0.442 33 A N 4.114 126.790 122.820 -0.239 0.000 2.318 33 A HA 0.864 5.185 4.320 0.002 0.000 0.317 33 A C -0.971 176.587 177.584 -0.043 0.000 1.159 33 A CA -0.510 51.282 52.037 -0.409 0.000 0.799 33 A CB 1.468 19.875 19.000 -0.989 0.000 1.194 33 A HN 0.684 nan 8.150 nan 0.000 0.479 34 V N 3.732 123.687 119.914 0.069 0.000 2.540 34 V HA 0.501 4.622 4.120 0.002 0.000 0.302 34 V C -0.331 175.806 176.094 0.072 0.000 1.035 34 V CA -0.273 62.122 62.300 0.159 0.000 0.873 34 V CB 1.392 33.445 31.823 0.383 0.000 0.992 34 V HN 0.771 nan 8.190 nan 0.000 0.428 35 I N 3.489 124.084 120.570 0.041 0.000 2.530 35 I HA 0.653 4.824 4.170 0.002 0.000 0.297 35 I C -0.750 175.355 176.117 -0.020 0.000 1.011 35 I CA -0.267 60.983 61.300 -0.083 0.000 1.107 35 I CB 2.027 39.980 38.000 -0.078 0.000 1.285 35 I HN 0.591 nan 8.210 nan 0.000 0.436 36 D N 2.851 123.202 120.400 -0.081 0.000 2.836 36 D HA 0.100 4.741 4.640 0.002 0.000 0.215 36 D C 0.446 176.659 176.300 -0.145 0.000 1.255 36 D CA -0.342 53.641 54.000 -0.028 0.000 0.822 36 D CB 2.831 43.763 40.800 0.220 0.000 1.656 36 D HN 0.386 nan 8.370 nan 0.000 0.511 37 V N 1.087 120.775 119.914 -0.376 0.000 2.720 37 V HA 0.034 4.155 4.120 0.002 0.000 0.256 37 V C 0.628 176.745 176.094 0.039 0.000 1.082 37 V CA 1.369 63.370 62.300 -0.497 0.000 1.101 37 V CB -0.227 30.821 31.823 -1.292 0.000 0.693 37 V HN 0.499 nan 8.190 nan 0.000 0.479 38 Q N -1.642 118.225 119.800 0.112 0.000 2.377 38 Q HA 0.560 4.901 4.340 0.002 0.000 0.279 38 Q C -0.025 176.064 176.000 0.149 0.000 1.049 38 Q CA -0.567 55.334 55.803 0.164 0.000 0.825 38 Q CB 2.295 31.140 28.738 0.178 0.000 1.401 38 Q HN 0.260 nan 8.270 nan 0.000 0.404 39 M N 0.674 120.343 119.600 0.114 0.000 2.534 39 M HA 0.230 4.711 4.480 0.002 0.000 0.263 39 M C -0.146 176.179 176.300 0.042 0.000 1.152 39 M CA 0.474 55.810 55.300 0.060 0.000 1.145 39 M CB 1.131 33.774 32.600 0.072 0.000 1.333 39 M HN 0.232 nan 8.290 nan 0.000 0.477 40 V N 0.042 119.979 119.914 0.040 0.000 2.864 40 V HA 0.217 4.338 4.120 0.002 0.000 0.314 40 V C -0.511 175.606 176.094 0.038 0.000 1.073 40 V CA -1.081 61.246 62.300 0.046 0.000 0.956 40 V CB 1.708 33.516 31.823 -0.024 0.000 1.023 40 V HN 0.459 nan 8.190 nan 0.000 0.435 41 H N 1.283 120.395 119.070 0.070 0.000 2.745 41 H HA 0.665 5.222 4.556 0.002 0.000 0.373 41 H C 0.318 175.691 175.328 0.075 0.000 1.226 41 H CA 0.488 56.610 56.048 0.124 0.000 1.435 41 H CB 0.488 30.358 29.762 0.180 0.000 1.461 41 H HN 1.251 nan 8.280 nan 0.000 0.616 42 G N 0.292 109.137 108.800 0.075 0.000 2.525 42 G HA2 -0.114 3.847 3.960 0.002 0.000 0.685 42 G HA3 -0.114 3.847 3.960 0.002 0.000 0.685 42 G C -2.983 171.498 174.900 -0.700 0.000 1.290 42 G CA -0.832 43.979 45.100 -0.482 0.000 0.915 42 G HN 0.745 nan 8.290 nan 0.000 0.548 43 P HA 0.208 nan 4.420 nan 0.000 0.267 43 P C -1.653 175.265 177.300 -0.637 0.000 1.200 43 P CA -0.450 62.041 63.100 -1.014 0.000 0.772 43 P CB 0.473 31.791 31.700 -0.637 0.000 0.855 44 P HA 0.051 nan 4.420 nan 0.000 0.222 44 P C 0.517 177.574 177.300 -0.405 0.000 1.157 44 P CA 1.144 63.871 63.100 -0.622 0.000 0.816 44 P CB 0.032 31.339 31.700 -0.654 0.000 0.813 45 F N -2.560 117.294 119.950 -0.159 0.000 2.765 45 F HA 0.254 4.782 4.527 0.002 0.000 0.302 45 F C 1.145 177.131 175.800 0.310 0.000 1.111 45 F CA -0.761 57.297 58.000 0.097 0.000 1.359 45 F CB -1.068 37.975 39.000 0.071 0.000 1.097 45 F HN -0.247 nan 8.300 nan 0.000 0.577 46 F N -1.306 118.838 119.950 0.322 0.000 2.562 46 F HA -0.391 4.137 4.527 0.002 0.000 0.696 46 F C 1.559 177.536 175.800 0.295 0.000 0.486 46 F CA 1.114 59.285 58.000 0.285 0.000 0.708 46 F CB -1.876 37.328 39.000 0.340 0.000 1.600 46 F HN -0.039 nan 8.300 nan 0.000 0.266 47 S N 0.727 116.761 115.700 0.557 0.000 2.600 47 S HA 0.701 5.172 4.470 0.002 0.000 0.265 47 S C 0.087 174.842 174.600 0.257 0.000 1.325 47 S CA 0.206 58.625 58.200 0.364 0.000 1.002 47 S CB 1.083 64.508 63.200 0.374 0.000 0.921 47 S HN 1.096 nan 8.310 nan 0.000 0.554 48 A N 1.525 124.448 122.820 0.171 0.000 2.809 48 A HA 0.552 4.873 4.320 0.002 0.000 0.310 48 A C -1.361 176.257 177.584 0.056 0.000 1.138 48 A CA -0.813 51.296 52.037 0.119 0.000 0.610 48 A CB -0.178 18.902 19.000 0.133 0.000 1.432 48 A HN 0.838 nan 8.150 nan 0.000 0.597 49 L N 1.146 122.376 121.223 0.012 0.000 2.615 49 L HA 0.437 4.778 4.340 0.002 0.000 0.271 49 L C 1.247 178.049 176.870 -0.113 0.000 1.183 49 L CA 2.674 57.454 54.840 -0.100 0.000 0.933 49 L CB -0.102 41.826 42.059 -0.219 0.000 1.199 49 L HN 1.979 nan 8.230 nan 0.000 0.487 50 G N 1.991 110.635 108.800 -0.259 0.000 2.428 50 G HA2 0.196 4.157 3.960 0.002 0.000 0.199 50 G HA3 0.196 4.157 3.960 0.002 0.000 0.199 50 G C 0.864 175.671 174.900 -0.155 0.000 1.005 50 G CA -0.009 44.874 45.100 -0.361 0.000 0.671 50 G HN 1.887 nan 8.290 nan 0.000 0.485 51 G N -1.418 107.354 108.800 -0.046 0.000 2.660 51 G HA2 0.193 4.154 3.960 0.002 0.000 0.247 51 G HA3 0.193 4.154 3.960 0.002 0.000 0.247 51 G C 0.712 175.651 174.900 0.065 0.000 1.328 51 G CA 0.690 45.803 45.100 0.021 0.000 0.884 51 G HN 1.215 nan 8.290 nan 0.000 0.531 52 T N -0.446 114.165 114.554 0.095 0.000 2.701 52 T HA -0.189 4.163 4.350 0.002 0.000 0.263 52 T C 2.523 177.257 174.700 0.057 0.000 1.040 52 T CA 2.621 64.785 62.100 0.107 0.000 1.147 52 T CB -0.705 68.246 68.868 0.139 0.000 0.865 52 T HN 1.212 nan 8.240 nan 0.000 0.426 53 c N 1.388 120.022 118.600 0.056 0.000 2.393 53 c HA -0.111 4.460 4.570 0.002 0.000 0.276 53 c C 2.774 176.855 174.090 -0.014 0.000 1.215 53 c CA 0.941 57.291 56.329 0.036 0.000 1.743 53 c CB -1.273 41.264 42.510 0.044 0.000 2.044 53 c HN 0.387 nan 8.230 nan 0.000 0.464 54 V N 1.791 121.702 119.914 -0.004 0.000 2.307 54 V HA -0.165 3.956 4.120 0.002 0.000 0.245 54 V C 2.380 178.432 176.094 -0.071 0.000 1.045 54 V CA 2.431 64.721 62.300 -0.017 0.000 1.024 54 V CB -0.705 31.148 31.823 0.049 0.000 0.651 54 V HN 0.593 nan 8.190 nan 0.000 0.449 55 N N 0.427 119.107 118.700 -0.033 0.000 2.220 55 N HA -0.026 4.715 4.740 0.002 0.000 0.182 55 N C 1.000 176.400 175.510 -0.182 0.000 1.023 55 N CA 1.833 54.867 53.050 -0.027 0.000 0.856 55 N CB 0.377 38.948 38.487 0.140 0.000 0.997 55 N HN 0.526 nan 8.380 nan 0.000 0.429 56 V N -2.522 117.276 119.914 -0.194 0.000 2.724 56 V HA 0.732 4.853 4.120 0.002 0.000 0.341 56 V C 0.323 176.279 176.094 -0.230 0.000 1.254 56 V CA -0.443 61.579 62.300 -0.464 0.000 1.261 56 V CB 0.576 32.380 31.823 -0.030 0.000 1.445 56 V HN 0.193 nan 8.190 nan 0.000 0.652 57 G N -0.190 108.489 108.800 -0.202 0.000 3.321 57 G HA2 0.235 4.196 3.960 0.002 0.000 0.169 57 G HA3 0.235 4.196 3.960 0.002 0.000 0.169 57 G C 0.901 175.834 174.900 0.055 0.000 1.153 57 G CA 0.622 45.756 45.100 0.057 0.000 1.007 57 G HN 0.336 nan 8.290 nan 0.000 0.668 58 c N 0.247 118.885 118.600 0.063 0.000 2.367 58 c HA -0.058 4.513 4.570 0.002 0.000 0.276 58 c C 2.827 176.878 174.090 -0.065 0.000 1.195 58 c CA 1.086 57.430 56.329 0.025 0.000 1.756 58 c CB -1.591 40.935 42.510 0.027 0.000 2.046 58 c HN 0.276 nan 8.230 nan 0.000 0.453 59 V N 3.262 123.124 119.914 -0.087 0.000 2.220 59 V HA -0.171 3.950 4.120 0.002 0.000 0.246 59 V C 0.429 176.429 176.094 -0.157 0.000 1.049 59 V CA 2.873 65.099 62.300 -0.124 0.000 1.003 59 V CB -2.109 29.648 31.823 -0.109 0.000 0.634 59 V HN 0.411 nan 8.190 nan 0.000 0.444 60 P HA -0.198 nan 4.420 nan 0.000 0.218 60 P C 1.391 178.671 177.300 -0.033 0.000 1.149 60 P CA 1.919 64.887 63.100 -0.220 0.000 0.817 60 P CB -0.066 31.319 31.700 -0.526 0.000 0.785 61 K N 0.471 120.905 120.400 0.056 0.000 2.155 61 K HA -0.108 4.213 4.320 0.002 0.000 0.203 61 K C 2.173 178.685 176.600 -0.146 0.000 1.052 61 K CA 1.356 57.657 56.287 0.024 0.000 0.948 61 K CB -0.689 31.834 32.500 0.037 0.000 0.728 61 K HN -0.150 nan 8.250 nan 0.000 0.448 62 K N 1.255 121.543 120.400 -0.187 0.000 2.057 62 K HA 0.045 4.366 4.320 0.002 0.000 0.207 62 K C 1.836 178.306 176.600 -0.217 0.000 1.049 62 K CA 1.399 57.503 56.287 -0.305 0.000 0.931 62 K CB -0.402 31.875 32.500 -0.371 0.000 0.714 62 K HN 0.300 nan 8.250 nan 0.000 0.440 63 L N -0.244 120.883 121.223 -0.161 0.000 2.083 63 L HA -0.136 4.205 4.340 0.002 0.000 0.209 63 L C 2.444 179.255 176.870 -0.098 0.000 1.083 63 L CA 1.326 56.095 54.840 -0.118 0.000 0.752 63 L CB -0.333 41.654 42.059 -0.119 0.000 0.899 63 L HN 0.233 nan 8.230 nan 0.000 0.433 64 M N -1.332 118.190 119.600 -0.131 0.000 2.254 64 M HA -0.136 4.345 4.480 0.002 0.000 0.265 64 M C 2.205 178.460 176.300 -0.075 0.000 1.066 64 M CA 1.049 56.265 55.300 -0.141 0.000 1.123 64 M CB -0.173 32.291 32.600 -0.227 0.000 1.388 64 M HN 0.020 nan 8.290 nan 0.000 0.425 65 V N -0.079 119.763 119.914 -0.120 0.000 2.515 65 V HA -0.207 3.914 4.120 0.002 0.000 0.250 65 V C 2.238 178.300 176.094 -0.053 0.000 1.058 65 V CA 2.028 64.277 62.300 -0.085 0.000 1.064 65 V CB -0.861 30.903 31.823 -0.099 0.000 0.675 65 V HN 0.490 nan 8.190 nan 0.000 0.461 66 T N 0.301 114.814 114.554 -0.069 0.000 2.746 66 T HA -0.116 4.235 4.350 0.002 0.000 0.267 66 T C 1.919 176.619 174.700 -0.001 0.000 1.039 66 T CA 1.514 63.568 62.100 -0.078 0.000 1.142 66 T CB -0.568 68.271 68.868 -0.048 0.000 0.866 66 T HN 0.611 nan 8.240 nan 0.000 0.444 67 G N 1.108 110.014 108.800 0.176 0.000 2.418 67 G HA2 -0.037 3.924 3.960 0.002 0.000 0.217 67 G HA3 -0.037 3.924 3.960 0.002 0.000 0.217 67 G C 1.821 176.947 174.900 0.376 0.000 1.158 67 G CA 0.824 46.175 45.100 0.418 0.000 0.771 67 G HN 0.577 nan 8.290 nan 0.000 0.545 68 A N 0.147 123.134 122.820 0.279 0.000 1.969 68 A HA -0.043 4.278 4.320 0.002 0.000 0.218 68 A C 2.273 179.851 177.584 -0.010 0.000 1.169 68 A CA 2.131 54.256 52.037 0.148 0.000 0.635 68 A CB -0.367 18.722 19.000 0.148 0.000 0.810 68 A HN 0.410 nan 8.150 nan 0.000 0.445 69 Q N -1.049 118.691 119.800 -0.100 0.000 2.291 69 Q HA -0.166 4.175 4.340 0.002 0.000 0.206 69 Q C 1.263 177.032 176.000 -0.386 0.000 0.976 69 Q CA 1.666 57.303 55.803 -0.277 0.000 0.875 69 Q CB -0.707 27.832 28.738 -0.331 0.000 0.927 69 Q HN 0.734 nan 8.270 nan 0.000 0.450 70 Y N -0.639 119.636 120.300 -0.042 0.000 2.497 70 Y HA -0.107 4.444 4.550 0.002 0.000 0.292 70 Y C 2.069 177.951 175.900 -0.030 0.000 1.137 70 Y CA 1.250 59.363 58.100 0.022 0.000 1.285 70 Y CB -0.379 38.110 38.460 0.049 0.000 0.991 70 Y HN 0.252 nan 8.280 nan 0.000 0.556 71 M N -0.180 119.442 119.600 0.035 0.000 2.213 71 M HA -0.197 4.284 4.480 0.002 0.000 0.263 71 M C 1.693 178.008 176.300 0.025 0.000 1.062 71 M CA 1.645 56.959 55.300 0.023 0.000 1.105 71 M CB 0.142 32.729 32.600 -0.022 0.000 1.385 71 M HN 0.080 nan 8.290 nan 0.000 0.417 72 E N -0.057 120.101 120.200 -0.069 0.000 2.028 72 E HA -0.192 4.159 4.350 0.002 0.000 0.191 72 E C 1.981 178.576 176.600 -0.008 0.000 0.988 72 E CA 1.375 57.725 56.400 -0.084 0.000 0.799 72 E CB -0.941 28.626 29.700 -0.221 0.000 0.755 72 E HN 0.653 nan 8.360 nan 0.000 0.447 73 H N 1.066 120.177 119.070 0.068 0.000 2.319 73 H HA -0.053 4.504 4.556 0.001 0.000 0.299 73 H C 2.482 177.882 175.328 0.119 0.000 1.092 73 H CA 0.946 57.038 56.048 0.074 0.000 1.302 73 H CB -0.568 29.229 29.762 0.059 0.000 1.373 73 H HN 0.098 nan 8.280 nan 0.000 0.497 74 L N 0.112 121.500 121.223 0.274 0.000 2.042 74 L HA -0.189 4.152 4.340 0.002 0.000 0.210 74 L C 2.877 179.926 176.870 0.298 0.000 1.076 74 L CA 1.398 56.414 54.840 0.294 0.000 0.749 74 L CB -0.383 41.842 42.059 0.277 0.000 0.893 74 L HN 0.172 nan 8.230 nan 0.000 0.432 75 R N 0.574 121.200 120.500 0.209 0.000 2.057 75 R HA -0.145 4.196 4.340 0.002 0.000 0.229 75 R C 2.143 178.555 176.300 0.187 0.000 1.136 75 R CA 1.474 57.672 56.100 0.163 0.000 0.952 75 R CB -0.062 30.312 30.300 0.123 0.000 0.848 75 R HN 0.360 nan 8.270 nan 0.000 0.430 76 E N 0.302 120.629 120.200 0.210 0.000 2.204 76 E HA -0.148 4.203 4.350 0.002 0.000 0.195 76 E C 1.872 178.689 176.600 0.361 0.000 0.990 76 E CA 1.351 57.910 56.400 0.266 0.000 0.821 76 E CB 0.027 29.893 29.700 0.276 0.000 0.750 76 E HN 0.457 nan 8.360 nan 0.000 0.477 77 S N 1.008 116.907 115.700 0.332 0.000 2.400 77 S HA -0.154 4.317 4.470 0.002 0.000 0.232 77 S C 2.229 177.135 174.600 0.510 0.000 1.025 77 S CA 0.845 59.284 58.200 0.400 0.000 0.993 77 S CB -0.211 63.143 63.200 0.257 0.000 0.808 77 S HN 0.294 nan 8.310 nan 0.000 0.478 78 A N 1.984 125.013 122.820 0.348 0.000 1.940 78 A HA 0.127 4.449 4.320 0.002 0.000 0.219 78 A C 2.405 180.108 177.584 0.199 0.000 1.176 78 A CA 1.625 53.807 52.037 0.242 0.000 0.631 78 A CB -1.793 17.282 19.000 0.126 0.000 0.814 78 A HN 0.703 nan 8.150 nan 0.000 0.446 79 G N -1.891 107.023 108.800 0.190 0.000 2.470 79 G HA2 -0.069 3.892 3.960 0.002 0.000 0.220 79 G HA3 -0.069 3.892 3.960 0.002 0.000 0.220 79 G C 0.842 175.644 174.900 -0.163 0.000 1.121 79 G CA 0.812 45.904 45.100 -0.014 0.000 0.766 79 G HN 0.476 nan 8.290 nan 0.000 0.553 80 F N 0.264 120.314 119.950 0.166 0.000 2.684 80 F HA 0.411 4.940 4.527 0.003 0.000 0.298 80 F C 1.706 177.530 175.800 0.040 0.000 1.120 80 F CA -0.081 58.008 58.000 0.148 0.000 1.332 80 F CB 0.604 39.761 39.000 0.261 0.000 0.986 80 F HN 0.175 nan 8.300 nan 0.000 0.524 81 G N -0.836 108.044 108.800 0.133 0.000 2.141 81 G HA2 -0.306 3.655 3.960 0.002 0.000 0.242 81 G HA3 -0.306 3.655 3.960 0.002 0.000 0.242 81 G C -0.274 174.570 174.900 -0.092 0.000 0.982 81 G CA -0.628 44.452 45.100 -0.033 0.000 0.662 81 G HN 0.311 nan 8.290 nan 0.000 0.527 82 W N 1.801 123.196 121.300 0.158 0.000 2.331 82 W HA 0.587 5.248 4.660 0.002 0.000 0.306 82 W C 0.674 177.297 176.519 0.173 0.000 1.162 82 W CA -0.356 57.092 57.345 0.172 0.000 1.232 82 W CB 0.682 30.265 29.460 0.205 0.000 1.235 82 W HN 0.441 nan 8.180 nan 0.000 0.479 83 E N 3.095 123.506 120.200 0.351 0.000 2.312 83 E HA 0.838 5.189 4.350 0.002 0.000 0.267 83 E C -0.945 175.865 176.600 0.350 0.000 0.894 83 E CA -1.035 55.496 56.400 0.219 0.000 0.773 83 E CB 2.253 32.003 29.700 0.082 0.000 1.241 83 E HN 0.312 nan 8.360 nan 0.000 0.432 84 F N -1.481 118.538 119.950 0.115 0.000 2.858 84 F HA 0.356 4.884 4.527 0.002 0.000 0.319 84 F C -1.306 174.534 175.800 0.067 0.000 1.166 84 F CA -1.464 56.590 58.000 0.091 0.000 0.899 84 F CB 0.830 39.888 39.000 0.097 0.000 1.332 84 F HN 0.316 nan 8.300 nan 0.000 0.461 85 D N 1.530 122.080 120.400 0.250 0.000 2.441 85 D HA 0.181 4.822 4.640 0.002 0.000 0.243 85 D C 1.030 177.396 176.300 0.109 0.000 1.257 85 D CA 0.264 54.333 54.000 0.114 0.000 1.027 85 D CB 0.324 41.205 40.800 0.135 0.000 1.084 85 D HN 0.590 nan 8.370 nan 0.000 0.514 86 R N 0.695 121.088 120.500 -0.177 0.000 2.293 86 R HA -0.092 4.249 4.340 0.002 0.000 0.219 86 R C 1.743 178.055 176.300 0.020 0.000 1.091 86 R CA 1.353 57.352 56.100 -0.169 0.000 1.004 86 R CB -0.087 30.008 30.300 -0.342 0.000 0.865 86 R HN 0.427 nan 8.270 nan 0.000 0.469 87 T N -2.826 111.745 114.554 0.030 0.000 3.067 87 T HA -0.053 4.298 4.350 0.002 0.000 0.261 87 T C 1.725 176.468 174.700 0.072 0.000 1.110 87 T CA 1.095 63.221 62.100 0.043 0.000 1.113 87 T CB 0.016 68.900 68.868 0.027 0.000 0.917 87 T HN 0.228 nan 8.240 nan 0.000 0.499 88 T N -0.307 114.313 114.554 0.110 0.000 3.144 88 T HA 0.361 4.712 4.350 0.002 0.000 0.249 88 T C 0.348 175.122 174.700 0.123 0.000 1.089 88 T CA -0.623 61.543 62.100 0.109 0.000 0.989 88 T CB -0.435 68.502 68.868 0.115 0.000 0.992 88 T HN 0.234 nan 8.240 nan 0.000 0.540 89 L N 3.659 124.974 121.223 0.153 0.000 2.360 89 L HA 0.471 4.812 4.340 0.002 0.000 0.276 89 L C 0.130 177.056 176.870 0.093 0.000 1.121 89 L CA -0.263 54.667 54.840 0.150 0.000 0.845 89 L CB 0.161 42.348 42.059 0.214 0.000 1.143 89 L HN 0.457 nan 8.230 nan 0.000 0.452 90 R N 4.397 124.941 120.500 0.073 0.000 2.566 90 R HA 0.858 5.199 4.340 0.002 0.000 0.271 90 R C -1.660 174.681 176.300 0.068 0.000 1.071 90 R CA -0.817 55.324 56.100 0.069 0.000 0.915 90 R CB 0.993 31.336 30.300 0.071 0.000 1.228 90 R HN 0.618 nan 8.270 nan 0.000 0.449 91 A N 2.143 125.013 122.820 0.084 0.000 2.305 91 A HA 0.445 4.766 4.320 0.002 0.000 0.322 91 A C -0.610 177.138 177.584 0.274 0.000 1.187 91 A CA -0.727 51.386 52.037 0.126 0.000 0.825 91 A CB 1.025 20.006 19.000 -0.032 0.000 1.164 91 A HN 0.673 nan 8.150 nan 0.000 0.498 92 E N 2.683 123.065 120.200 0.303 0.000 2.070 92 E HA 0.020 4.371 4.350 0.002 0.000 0.261 92 E C 0.482 177.278 176.600 0.327 0.000 0.926 92 E CA -0.494 56.075 56.400 0.282 0.000 0.760 92 E CB 0.586 30.384 29.700 0.163 0.000 1.133 92 E HN 0.941 nan 8.360 nan 0.000 0.420 93 W N 4.245 125.645 121.300 0.167 0.000 2.321 93 W HA -0.260 4.401 4.660 0.001 0.000 0.306 93 W C 1.276 177.784 176.519 -0.018 0.000 1.217 93 W CA 1.502 58.846 57.345 -0.001 0.000 1.257 93 W CB 0.263 29.751 29.460 0.046 0.000 1.145 93 W HN 0.330 nan 8.180 nan 0.000 0.509 94 K N 1.198 121.702 120.400 0.174 0.000 2.211 94 K HA -0.187 4.134 4.320 0.002 0.000 0.203 94 K C 1.683 178.258 176.600 -0.042 0.000 1.050 94 K CA 1.706 58.017 56.287 0.040 0.000 0.945 94 K CB -0.854 31.719 32.500 0.121 0.000 0.732 94 K HN 0.037 nan 8.250 nan 0.000 0.451 95 N N 0.198 118.892 118.700 -0.009 0.000 2.216 95 N HA -0.116 4.625 4.740 0.002 0.000 0.183 95 N C 1.541 176.991 175.510 -0.100 0.000 1.017 95 N CA 0.939 53.972 53.050 -0.029 0.000 0.861 95 N CB -0.212 38.280 38.487 0.008 0.000 0.986 95 N HN 0.206 nan 8.380 nan 0.000 0.428 96 L N 0.729 121.850 121.223 -0.171 0.000 1.989 96 L HA -0.107 4.234 4.340 0.002 0.000 0.211 96 L C 1.957 178.619 176.870 -0.347 0.000 1.071 96 L CA 1.583 56.252 54.840 -0.285 0.000 0.749 96 L CB -0.707 41.032 42.059 -0.533 0.000 0.890 96 L HN 0.142 nan 8.230 nan 0.000 0.431 97 I N 0.122 120.407 120.570 -0.475 0.000 2.208 97 I HA -0.280 3.891 4.170 0.002 0.000 0.245 97 I C 2.703 178.713 176.117 -0.178 0.000 1.097 97 I CA 1.502 62.571 61.300 -0.386 0.000 1.363 97 I CB -1.945 35.797 38.000 -0.430 0.000 1.051 97 I HN 0.428 nan 8.210 nan 0.000 0.413 98 A N 1.152 123.900 122.820 -0.120 0.000 1.877 98 A HA -0.177 4.144 4.320 0.002 0.000 0.216 98 A C 2.461 180.012 177.584 -0.055 0.000 1.186 98 A CA 2.590 54.598 52.037 -0.049 0.000 0.620 98 A CB -1.113 17.869 19.000 -0.028 0.000 0.822 98 A HN 0.354 nan 8.150 nan 0.000 0.443 99 V N -0.366 119.500 119.914 -0.081 0.000 2.427 99 V HA -0.243 3.878 4.120 0.002 0.000 0.248 99 V C 2.277 178.313 176.094 -0.096 0.000 1.051 99 V CA 2.492 64.746 62.300 -0.076 0.000 1.048 99 V CB -1.107 30.672 31.823 -0.073 0.000 0.666 99 V HN 0.699 nan 8.190 nan 0.000 0.456 100 K N 0.755 121.074 120.400 -0.135 0.000 2.097 100 K HA -0.157 4.164 4.320 0.002 0.000 0.205 100 K C 1.684 178.183 176.600 -0.168 0.000 1.050 100 K CA 2.149 58.339 56.287 -0.160 0.000 0.938 100 K CB -0.726 31.655 32.500 -0.197 0.000 0.718 100 K HN 0.411 nan 8.250 nan 0.000 0.442 101 D N 0.752 121.087 120.400 -0.108 0.000 2.144 101 D HA -0.159 4.482 4.640 0.002 0.000 0.199 101 D C 1.848 178.140 176.300 -0.015 0.000 0.984 101 D CA 1.285 55.268 54.000 -0.028 0.000 0.834 101 D CB -0.116 40.775 40.800 0.152 0.000 0.955 101 D HN 0.408 nan 8.370 nan 0.000 0.465 102 E N 0.924 121.113 120.200 -0.019 0.000 2.017 102 E HA -0.111 4.240 4.350 0.002 0.000 0.193 102 E C 1.964 178.536 176.600 -0.046 0.000 0.997 102 E CA 1.546 57.939 56.400 -0.012 0.000 0.804 102 E CB -0.411 29.275 29.700 -0.022 0.000 0.757 102 E HN 0.139 nan 8.360 nan 0.000 0.448 103 A N 0.038 122.809 122.820 -0.082 0.000 1.917 103 A HA -0.192 4.129 4.320 0.002 0.000 0.219 103 A C 2.522 180.034 177.584 -0.121 0.000 1.182 103 A CA 1.941 53.919 52.037 -0.098 0.000 0.633 103 A CB -0.881 18.053 19.000 -0.109 0.000 0.819 103 A HN 0.212 nan 8.150 nan 0.000 0.448 104 V N 0.171 119.970 119.914 -0.192 0.000 2.307 104 V HA -0.198 3.923 4.120 0.002 0.000 0.245 104 V C 2.460 178.475 176.094 -0.132 0.000 1.045 104 V CA 1.633 63.783 62.300 -0.250 0.000 1.024 104 V CB -0.761 30.728 31.823 -0.556 0.000 0.651 104 V HN 0.646 nan 8.190 nan 0.000 0.449 105 L N 0.826 122.013 121.223 -0.061 0.000 2.079 105 L HA -0.226 4.115 4.340 0.002 0.000 0.210 105 L C 2.061 178.957 176.870 0.044 0.000 1.081 105 L CA 2.313 57.220 54.840 0.111 0.000 0.752 105 L CB -1.093 41.075 42.059 0.181 0.000 0.896 105 L HN 0.508 nan 8.230 nan 0.000 0.433 106 N N -0.282 118.413 118.700 -0.008 0.000 2.244 106 N HA -0.133 4.608 4.740 0.002 0.000 0.183 106 N C 1.884 177.362 175.510 -0.055 0.000 1.016 106 N CA 1.065 54.096 53.050 -0.031 0.000 0.866 106 N CB 0.027 38.484 38.487 -0.049 0.000 0.980 106 N HN 0.370 nan 8.380 nan 0.000 0.430 107 I N 1.010 121.548 120.570 -0.054 0.000 2.353 107 I HA -0.187 3.984 4.170 0.002 0.000 0.248 107 I C 1.484 177.616 176.117 0.026 0.000 1.119 107 I CA 1.025 62.280 61.300 -0.076 0.000 1.417 107 I CB -0.302 37.673 38.000 -0.042 0.000 1.078 107 I HN 0.169 nan 8.210 nan 0.000 0.421 108 N N 1.025 119.784 118.700 0.098 0.000 2.084 108 N HA -0.192 4.549 4.740 0.002 0.000 0.190 108 N C 1.785 177.360 175.510 0.108 0.000 1.030 108 N CA 1.189 54.334 53.050 0.158 0.000 0.849 108 N CB -0.037 38.536 38.487 0.142 0.000 1.012 108 N HN 0.280 nan 8.380 nan 0.000 0.423 109 K N 0.383 120.810 120.400 0.044 0.000 2.026 109 K HA -0.090 4.231 4.320 0.002 0.000 0.208 109 K C 2.235 178.824 176.600 -0.019 0.000 1.048 109 K CA 1.027 57.323 56.287 0.015 0.000 0.929 109 K CB -0.290 32.211 32.500 0.001 0.000 0.713 109 K HN 0.029 nan 8.250 nan 0.000 0.439 110 S N 0.012 115.653 115.700 -0.097 0.000 2.387 110 S HA -0.186 4.285 4.470 0.002 0.000 0.230 110 S C 1.812 176.277 174.600 -0.226 0.000 1.035 110 S CA 1.301 59.376 58.200 -0.209 0.000 1.014 110 S CB -0.211 62.779 63.200 -0.349 0.000 0.836 110 S HN 0.285 nan 8.310 nan 0.000 0.466 111 Y N 1.196 121.465 120.300 -0.052 0.000 2.286 111 Y HA 0.058 4.609 4.550 0.002 0.000 0.293 111 Y C 2.360 178.300 175.900 0.068 0.000 1.124 111 Y CA 0.973 59.049 58.100 -0.040 0.000 1.178 111 Y CB -0.675 37.772 38.460 -0.021 0.000 1.010 111 Y HN 0.326 nan 8.280 nan 0.000 0.536 112 D N 0.295 120.805 120.400 0.184 0.000 2.117 112 D HA -0.208 4.433 4.640 0.002 0.000 0.197 112 D C 2.048 178.446 176.300 0.163 0.000 0.987 112 D CA 1.487 55.578 54.000 0.151 0.000 0.829 112 D CB -0.086 40.740 40.800 0.043 0.000 0.961 112 D HN 0.430 nan 8.370 nan 0.000 0.460 113 E N -0.548 119.700 120.200 0.080 0.000 2.085 113 E HA -0.236 4.115 4.350 0.002 0.000 0.194 113 E C 2.193 178.828 176.600 0.057 0.000 0.994 113 E CA 1.007 57.435 56.400 0.046 0.000 0.801 113 E CB -0.253 29.441 29.700 -0.010 0.000 0.743 113 E HN 0.365 nan 8.360 nan 0.000 0.453 114 M N -0.294 119.321 119.600 0.024 0.000 2.108 114 M HA -0.203 4.278 4.480 0.002 0.000 0.261 114 M C 1.622 177.920 176.300 -0.003 0.000 1.066 114 M CA 1.645 56.928 55.300 -0.027 0.000 1.107 114 M CB -0.144 32.370 32.600 -0.142 0.000 1.356 114 M HN 0.141 nan 8.290 nan 0.000 0.406 115 F N 0.225 120.227 119.950 0.087 0.000 2.146 115 F HA -0.127 4.401 4.527 0.002 0.000 0.298 115 F C 2.451 178.294 175.800 0.072 0.000 1.096 115 F CA 1.513 59.566 58.000 0.088 0.000 1.275 115 F CB -0.471 38.563 39.000 0.056 0.000 1.008 115 F HN 0.120 nan 8.300 nan 0.000 0.480 116 R N 0.101 120.739 120.500 0.230 0.000 2.096 116 R HA -0.127 4.214 4.340 0.002 0.000 0.235 116 R C 1.141 177.503 176.300 0.103 0.000 1.127 116 R CA 1.529 57.714 56.100 0.142 0.000 0.968 116 R CB -0.441 29.921 30.300 0.104 0.000 0.861 116 R HN 0.264 nan 8.270 nan 0.000 0.440 117 D N -0.289 120.168 120.400 0.094 0.000 2.340 117 D HA 0.007 4.649 4.640 0.002 0.000 0.220 117 D C -0.015 176.330 176.300 0.076 0.000 1.039 117 D CA 0.692 54.736 54.000 0.073 0.000 0.866 117 D CB 0.501 41.338 40.800 0.063 0.000 0.913 117 D HN 0.023 nan 8.370 nan 0.000 0.523 118 T N 1.264 115.870 114.554 0.087 0.000 2.772 118 T HA 0.122 4.473 4.350 0.002 0.000 0.288 118 T C 0.021 174.741 174.700 0.034 0.000 0.994 118 T CA -0.625 61.501 62.100 0.044 0.000 0.951 118 T CB 2.304 71.203 68.868 0.052 0.000 0.933 118 T HN -0.046 nan 8.240 nan 0.000 0.447 119 E N 1.926 122.128 120.200 0.003 0.000 2.384 119 E HA 0.316 4.667 4.350 0.002 0.000 0.266 119 E C 1.148 177.754 176.600 0.010 0.000 1.012 119 E CA 0.746 57.155 56.400 0.015 0.000 0.901 119 E CB 0.334 30.031 29.700 -0.005 0.000 0.967 119 E HN 0.986 nan 8.360 nan 0.000 0.435 120 G N 3.345 112.180 108.800 0.059 0.000 2.159 120 G HA2 -0.264 3.697 3.960 0.002 0.000 0.256 120 G HA3 -0.264 3.697 3.960 0.002 0.000 0.256 120 G C -0.293 174.694 174.900 0.146 0.000 0.977 120 G CA 0.371 45.523 45.100 0.086 0.000 0.652 120 G HN 0.452 nan 8.290 nan 0.000 0.531 121 L N 0.952 122.271 121.223 0.160 0.000 2.343 121 L HA 0.782 5.123 4.340 0.002 0.000 0.278 121 L C -0.459 176.617 176.870 0.344 0.000 0.996 121 L CA -0.899 54.080 54.840 0.232 0.000 0.831 121 L CB 1.358 43.498 42.059 0.135 0.000 1.232 121 L HN 0.223 nan 8.230 nan 0.000 0.413 122 E N 4.245 124.617 120.200 0.287 0.000 2.248 122 E HA 0.326 4.677 4.350 0.002 0.000 0.267 122 E C -1.693 174.755 176.600 -0.252 0.000 0.877 122 E CA -0.678 55.743 56.400 0.037 0.000 0.759 122 E CB 2.497 32.171 29.700 -0.044 0.000 1.182 122 E HN 0.415 nan 8.360 nan 0.000 0.418 123 F N 3.000 122.527 119.950 -0.704 0.000 2.408 123 F HA 0.484 5.012 4.527 0.002 0.000 0.344 123 F C -1.348 173.976 175.800 -0.793 0.000 1.112 123 F CA -0.985 56.476 58.000 -0.898 0.000 1.096 123 F CB 0.447 38.684 39.000 -1.272 0.000 1.129 123 F HN 0.318 nan 8.300 nan 0.000 0.486 124 F N 7.324 126.678 119.950 -0.993 0.000 2.445 124 F HA 0.377 4.905 4.527 0.002 0.000 0.348 124 F C -0.676 174.494 175.800 -1.051 0.000 1.125 124 F CA -0.982 56.554 58.000 -0.773 0.000 0.983 124 F CB 1.334 40.089 39.000 -0.408 0.000 1.198 124 F HN 0.284 nan 8.300 nan 0.000 0.436 125 L N 3.901 124.692 121.223 -0.721 0.000 2.410 125 L HA 0.746 5.087 4.340 0.002 0.000 0.273 125 L C 0.329 177.084 176.870 -0.192 0.000 1.144 125 L CA 0.819 55.378 54.840 -0.469 0.000 0.863 125 L CB -0.031 41.928 42.059 -0.166 0.000 1.140 125 L HN 0.780 nan 8.230 nan 0.000 0.463 126 G N 2.996 111.687 108.800 -0.183 0.000 2.320 126 G HA2 -0.019 3.942 3.960 0.002 0.000 0.274 126 G HA3 -0.019 3.942 3.960 0.002 0.000 0.274 126 G C -2.092 172.670 174.900 -0.230 0.000 1.324 126 G CA -0.674 44.381 45.100 -0.075 0.000 0.957 126 G HN 0.522 nan 8.290 nan 0.000 0.481 127 W N 0.813 122.051 121.300 -0.103 0.000 2.429 127 W HA 0.630 5.291 4.660 0.002 0.000 0.314 127 W C 0.596 177.052 176.519 -0.105 0.000 1.062 127 W CA 0.194 57.465 57.345 -0.125 0.000 1.211 127 W CB 1.986 31.354 29.460 -0.154 0.000 1.305 127 W HN 0.902 nan 8.180 nan 0.000 0.476 128 G N 1.646 110.488 108.800 0.070 0.000 2.367 128 G HA2 0.658 4.619 3.960 0.002 0.000 0.314 128 G HA3 0.658 4.619 3.960 0.002 0.000 0.314 128 G C -0.886 174.039 174.900 0.042 0.000 1.130 128 G CA -0.605 44.508 45.100 0.023 0.000 0.864 128 G HN 0.347 nan 8.290 nan 0.000 0.486 129 S N 0.730 116.439 115.700 0.015 0.000 2.541 129 S HA 0.504 4.975 4.470 0.002 0.000 0.271 129 S C -0.614 173.982 174.600 -0.007 0.000 1.133 129 S CA -0.814 57.391 58.200 0.009 0.000 0.876 129 S CB 1.679 64.881 63.200 0.003 0.000 1.105 129 S HN 0.556 nan 8.310 nan 0.000 0.470 130 L N 2.116 123.335 121.223 -0.007 0.000 2.360 130 L HA 0.336 4.677 4.340 0.002 0.000 0.276 130 L C 1.604 178.463 176.870 -0.017 0.000 1.121 130 L CA -0.113 54.720 54.840 -0.013 0.000 0.845 130 L CB 0.576 42.627 42.059 -0.013 0.000 1.143 130 L HN 0.931 nan 8.230 nan 0.000 0.452 131 E N 1.763 121.951 120.200 -0.020 0.000 2.166 131 E HA -0.007 4.344 4.350 0.002 0.000 0.192 131 E C 0.274 176.862 176.600 -0.020 0.000 0.967 131 E CA 0.521 56.908 56.400 -0.021 0.000 0.840 131 E CB 0.652 30.338 29.700 -0.023 0.000 0.795 131 E HN 0.750 nan 8.360 nan 0.000 0.470 132 S N -1.230 114.458 115.700 -0.020 0.000 2.643 132 S HA 0.178 4.649 4.470 0.002 0.000 0.270 132 S C 0.280 174.865 174.600 -0.024 0.000 1.166 132 S CA -0.576 57.611 58.200 -0.021 0.000 0.815 132 S CB 1.120 64.308 63.200 -0.020 0.000 1.139 132 S HN 0.182 nan 8.310 nan 0.000 0.472 133 K N 0.543 120.926 120.400 -0.029 0.000 2.442 133 K HA 0.016 4.337 4.320 0.002 0.000 0.199 133 K C 0.579 177.156 176.600 -0.038 0.000 1.044 133 K CA 1.401 57.665 56.287 -0.038 0.000 0.941 133 K CB -0.519 31.954 32.500 -0.045 0.000 0.759 133 K HN 0.492 nan 8.250 nan 0.000 0.472 134 N N 0.503 119.186 118.700 -0.029 0.000 2.159 134 N HA 0.089 4.831 4.740 0.002 0.000 0.217 134 N C -0.912 174.593 175.510 -0.008 0.000 1.223 134 N CA -0.004 53.033 53.050 -0.022 0.000 0.896 134 N CB 1.479 39.950 38.487 -0.027 0.000 1.064 134 N HN -0.068 nan 8.380 nan 0.000 0.518 135 V N 1.735 121.642 119.914 -0.013 0.000 2.495 135 V HA 0.460 4.581 4.120 0.002 0.000 0.298 135 V C -0.107 175.976 176.094 -0.018 0.000 1.031 135 V CA -0.724 61.569 62.300 -0.013 0.000 0.871 135 V CB 2.518 34.330 31.823 -0.018 0.000 0.988 135 V HN -0.260 nan 8.190 nan 0.000 0.432 136 V N 4.359 124.258 119.914 -0.024 0.000 2.540 136 V HA 0.494 4.615 4.120 0.002 0.000 0.302 136 V C -0.371 175.686 176.094 -0.062 0.000 1.035 136 V CA -0.712 61.566 62.300 -0.037 0.000 0.873 136 V CB 2.001 33.802 31.823 -0.038 0.000 0.992 136 V HN 0.979 nan 8.190 nan 0.000 0.428 137 N N 2.146 120.814 118.700 -0.054 0.000 2.314 137 N HA 0.696 5.437 4.740 0.002 0.000 0.304 137 N C -1.224 174.250 175.510 -0.060 0.000 1.073 137 N CA -0.585 52.427 53.050 -0.063 0.000 0.822 137 N CB 2.521 40.983 38.487 -0.043 0.000 1.280 137 N HN 0.427 nan 8.380 nan 0.000 0.489 138 V N 2.279 122.145 119.914 -0.081 0.000 2.326 138 V HA 0.432 4.553 4.120 0.002 0.000 0.281 138 V C 0.147 176.235 176.094 -0.011 0.000 1.015 138 V CA -0.528 61.738 62.300 -0.056 0.000 0.823 138 V CB 0.492 32.240 31.823 -0.125 0.000 1.009 138 V HN 0.617 nan 8.190 nan 0.000 0.436 139 R N 2.413 122.940 120.500 0.046 0.000 2.797 139 R HA 0.509 4.850 4.340 0.002 0.000 0.251 139 R C 0.489 176.860 176.300 0.118 0.000 1.107 139 R CA -0.767 55.360 56.100 0.045 0.000 1.084 139 R CB 1.638 31.942 30.300 0.006 0.000 1.205 139 R HN 0.635 nan 8.270 nan 0.000 0.515 140 E N -0.065 120.182 120.200 0.078 0.000 2.478 140 E HA 0.031 4.382 4.350 0.002 0.000 0.194 140 E C 0.051 176.706 176.600 0.091 0.000 1.045 140 E CA 0.246 56.723 56.400 0.128 0.000 0.868 140 E CB 0.632 30.375 29.700 0.070 0.000 0.885 140 E HN 0.252 nan 8.360 nan 0.000 0.505 141 S N -1.545 114.072 115.700 -0.138 0.000 2.596 141 S HA 0.499 4.971 4.470 0.002 0.000 0.270 141 S C 0.083 174.170 174.600 -0.855 0.000 1.155 141 S CA -0.139 57.719 58.200 -0.570 0.000 0.827 141 S CB 1.406 64.413 63.200 -0.322 0.000 1.130 141 S HN 0.015 nan 8.310 nan 0.000 0.467 142 A N 1.209 123.209 122.820 -1.368 0.000 2.070 142 A HA 0.088 4.409 4.320 0.002 0.000 0.220 142 A C 0.674 177.968 177.584 -0.483 0.000 1.159 142 A CA 1.517 52.925 52.037 -1.048 0.000 0.656 142 A CB -0.828 17.439 19.000 -1.222 0.000 0.800 142 A HN 0.790 nan 8.150 nan 0.000 0.453 143 D N 0.215 120.379 120.400 -0.394 0.000 2.338 143 D HA 0.177 4.818 4.640 0.002 0.000 0.255 143 D C -1.671 174.527 176.300 -0.170 0.000 1.237 143 D CA -2.089 51.774 54.000 -0.229 0.000 0.883 143 D CB 0.851 41.540 40.800 -0.186 0.000 1.087 143 D HN 0.110 nan 8.370 nan 0.000 0.485 144 P HA -0.048 nan 4.420 nan 0.000 0.261 144 P C 0.108 177.366 177.300 -0.069 0.000 1.297 144 P CA 0.335 63.382 63.100 -0.087 0.000 0.757 144 P CB 0.060 31.719 31.700 -0.069 0.000 1.149 145 A N -0.743 122.033 122.820 -0.075 0.000 2.469 145 A HA 0.259 4.580 4.320 0.002 0.000 0.245 145 A C 1.060 178.610 177.584 -0.055 0.000 1.221 145 A CA -0.042 51.961 52.037 -0.057 0.000 0.946 145 A CB -0.137 18.831 19.000 -0.054 0.000 1.049 145 A HN 0.302 nan 8.150 nan 0.000 0.529 146 S N 0.132 115.791 115.700 -0.068 0.000 2.614 146 S HA 0.606 5.077 4.470 0.002 0.000 0.265 146 S C 0.555 175.133 174.600 -0.036 0.000 1.303 146 S CA -0.027 58.139 58.200 -0.057 0.000 1.000 146 S CB 1.015 64.168 63.200 -0.080 0.000 0.935 146 S HN 1.170 nan 8.310 nan 0.000 0.551 147 A N 1.536 124.343 122.820 -0.022 0.000 2.545 147 A HA 0.360 4.681 4.320 0.002 0.000 0.253 147 A C 0.178 177.756 177.584 -0.010 0.000 1.074 147 A CA -0.498 51.531 52.037 -0.013 0.000 0.760 147 A CB -0.626 18.371 19.000 -0.005 0.000 1.005 147 A HN 0.840 nan 8.150 nan 0.000 0.506 148 V N 5.163 125.067 119.914 -0.017 0.000 2.446 148 V HA -0.007 4.114 4.120 0.002 0.000 0.276 148 V C 1.171 177.253 176.094 -0.020 0.000 1.030 148 V CA 0.559 62.846 62.300 -0.022 0.000 1.033 148 V CB 0.444 32.249 31.823 -0.029 0.000 0.993 148 V HN 1.053 nan 8.190 nan 0.000 0.477 149 K N 3.335 123.722 120.400 -0.020 0.000 2.166 149 K HA 0.153 4.474 4.320 0.002 0.000 0.201 149 K C 0.452 177.024 176.600 -0.046 0.000 1.052 149 K CA 0.508 56.785 56.287 -0.017 0.000 0.969 149 K CB 0.444 32.943 32.500 -0.001 0.000 0.761 149 K HN 0.565 nan 8.250 nan 0.000 0.459 150 E N -0.044 120.101 120.200 -0.092 0.000 2.390 150 E HA 0.328 4.679 4.350 0.002 0.000 0.277 150 E C -1.691 174.818 176.600 -0.152 0.000 0.939 150 E CA -0.722 55.580 56.400 -0.163 0.000 0.769 150 E CB 2.016 31.508 29.700 -0.347 0.000 1.251 150 E HN -0.028 nan 8.360 nan 0.000 0.450 151 R N 2.768 123.183 120.500 -0.142 0.000 2.532 151 R HA 0.607 4.948 4.340 0.002 0.000 0.297 151 R C -1.658 174.585 176.300 -0.096 0.000 0.984 151 R CA -0.621 55.420 56.100 -0.099 0.000 0.884 151 R CB 0.604 30.869 30.300 -0.058 0.000 1.182 151 R HN 0.366 nan 8.270 nan 0.000 0.442 152 L N 3.742 124.920 121.223 -0.075 0.000 2.408 152 L HA 0.442 4.783 4.340 0.002 0.000 0.268 152 L C -0.665 176.224 176.870 0.031 0.000 0.986 152 L CA -0.633 54.204 54.840 -0.005 0.000 0.820 152 L CB 2.067 44.108 42.059 -0.029 0.000 1.303 152 L HN 0.584 nan 8.230 nan 0.000 0.411 153 E N 0.833 121.075 120.200 0.069 0.000 2.165 153 E HA 0.634 4.985 4.350 0.002 0.000 0.266 153 E C -0.975 175.680 176.600 0.092 0.000 0.889 153 E CA -0.567 55.864 56.400 0.051 0.000 0.756 153 E CB 2.582 32.294 29.700 0.021 0.000 1.131 153 E HN 0.442 nan 8.360 nan 0.000 0.411 154 T N 0.712 115.313 114.554 0.077 0.000 2.903 154 T HA 0.126 4.477 4.350 0.002 0.000 0.299 154 T C 0.167 174.876 174.700 0.015 0.000 1.093 154 T CA -0.533 61.627 62.100 0.100 0.000 1.002 154 T CB 1.984 70.949 68.868 0.162 0.000 1.127 154 T HN 0.579 nan 8.240 nan 0.000 0.488 155 E N 0.893 121.067 120.200 -0.043 0.000 2.442 155 E HA 0.022 4.373 4.350 0.002 0.000 0.195 155 E C -0.362 176.002 176.600 -0.393 0.000 1.030 155 E CA 0.342 56.599 56.400 -0.239 0.000 0.869 155 E CB 0.259 29.753 29.700 -0.343 0.000 0.857 155 E HN 0.558 nan 8.360 nan 0.000 0.505 156 H N -0.433 118.716 119.070 0.132 0.000 2.667 156 H HA 0.420 4.977 4.556 0.002 0.000 0.353 156 H C -0.542 174.863 175.328 0.128 0.000 1.072 156 H CA -0.536 55.600 56.048 0.147 0.000 1.214 156 H CB 1.414 31.373 29.762 0.329 0.000 1.600 156 H HN -0.030 nan 8.280 nan 0.000 0.527 157 I N 3.255 123.916 120.570 0.151 0.000 2.545 157 I HA 0.210 4.381 4.170 0.002 0.000 0.292 157 I C -0.851 175.345 176.117 0.133 0.000 1.040 157 I CA -0.925 60.440 61.300 0.107 0.000 1.068 157 I CB 2.677 40.687 38.000 0.016 0.000 1.251 157 I HN 0.158 nan 8.210 nan 0.000 0.424 158 L N 7.103 128.435 121.223 0.180 0.000 2.356 158 L HA 0.568 4.909 4.340 0.002 0.000 0.277 158 L C -1.232 175.716 176.870 0.131 0.000 0.996 158 L CA -0.220 54.746 54.840 0.209 0.000 0.822 158 L CB 1.521 43.729 42.059 0.248 0.000 1.256 158 L HN 0.426 nan 8.230 nan 0.000 0.413 159 L N 5.754 127.045 121.223 0.112 0.000 2.275 159 L HA 0.769 5.110 4.340 0.002 0.000 0.288 159 L C 0.427 177.352 176.870 0.091 0.000 1.046 159 L CA -0.247 54.643 54.840 0.082 0.000 0.805 159 L CB 1.467 43.564 42.059 0.064 0.000 1.193 159 L HN 0.842 nan 8.230 nan 0.000 0.426 160 A N 0.880 123.748 122.820 0.080 0.000 2.958 160 A HA 0.183 4.505 4.320 0.002 0.000 0.214 160 A C 1.033 178.660 177.584 0.072 0.000 0.902 160 A CA -0.037 52.049 52.037 0.083 0.000 1.136 160 A CB -0.015 19.039 19.000 0.090 0.000 1.250 160 A HN 0.691 nan 8.150 nan 0.000 0.497 161 S N -0.574 115.165 115.700 0.064 0.000 2.500 161 S HA 0.330 4.801 4.470 0.002 0.000 0.239 161 S C 1.499 176.152 174.600 0.088 0.000 0.989 161 S CA 1.157 59.390 58.200 0.055 0.000 0.951 161 S CB -0.535 62.693 63.200 0.046 0.000 0.759 161 S HN 2.316 nan 8.310 nan 0.000 0.523 162 G N 1.248 110.110 108.800 0.103 0.000 2.598 162 G HA2 -0.158 3.803 3.960 0.002 0.000 0.244 162 G HA3 -0.158 3.803 3.960 0.002 0.000 0.244 162 G C -0.116 174.883 174.900 0.165 0.000 1.302 162 G CA -0.030 45.151 45.100 0.135 0.000 0.903 162 G HN 1.540 nan 8.290 nan 0.000 0.575 163 S N -1.329 114.499 115.700 0.213 0.000 2.751 163 S HA 0.844 5.315 4.470 0.002 0.000 0.310 163 S C -0.711 174.138 174.600 0.415 0.000 1.128 163 S CA 0.023 58.375 58.200 0.254 0.000 0.931 163 S CB 2.683 65.999 63.200 0.193 0.000 1.177 163 S HN 1.603 nan 8.310 nan 0.000 0.530 164 W N 0.560 121.923 121.300 0.106 0.000 3.296 164 W HA 0.394 5.055 4.660 0.002 0.000 0.314 164 W C -3.331 173.254 176.519 0.109 0.000 1.238 164 W CA -2.182 55.230 57.345 0.113 0.000 1.193 164 W CB 1.714 31.247 29.460 0.121 0.000 1.383 164 W HN 0.487 nan 8.180 nan 0.000 0.545 165 P HA -0.083 nan 4.420 nan 0.000 0.266 165 P C -0.983 176.357 177.300 0.067 0.000 1.193 165 P CA 0.840 63.851 63.100 -0.147 0.000 0.770 165 P CB 0.330 31.822 31.700 -0.346 0.000 0.836 166 H N 3.862 122.934 119.070 0.005 0.000 2.597 166 H HA 0.356 4.913 4.556 0.002 0.000 0.303 166 H C -0.654 174.687 175.328 0.022 0.000 1.057 166 H CA -0.401 55.676 56.048 0.048 0.000 1.261 166 H CB 0.142 29.936 29.762 0.053 0.000 1.397 166 H HN 0.156 nan 8.280 nan 0.000 0.461 167 M N 7.698 127.059 119.600 -0.399 0.000 2.113 167 M HA 0.261 4.742 4.480 0.002 0.000 0.352 167 M C -2.341 173.657 176.300 -0.503 0.000 1.170 167 M CA -2.580 52.519 55.300 -0.335 0.000 1.053 167 M CB 0.897 33.408 32.600 -0.148 0.000 1.601 167 M HN 0.598 nan 8.290 nan 0.000 0.459 168 P HA 0.094 nan 4.420 nan 0.000 0.272 168 P C -0.486 176.750 177.300 -0.107 0.000 1.223 168 P CA -0.285 62.691 63.100 -0.207 0.000 0.784 168 P CB 0.543 32.206 31.700 -0.061 0.000 0.923 169 N N 2.278 120.952 118.700 -0.043 0.000 2.807 169 N HA 0.202 4.943 4.740 0.002 0.000 0.259 169 N C -0.196 175.305 175.510 -0.015 0.000 1.149 169 N CA -0.405 52.631 53.050 -0.023 0.000 1.042 169 N CB -1.136 37.353 38.487 0.004 0.000 1.367 169 N HN 0.341 nan 8.380 nan 0.000 0.516 170 I N -1.292 119.261 120.570 -0.028 0.000 2.740 170 I HA 0.724 4.895 4.170 0.002 0.000 0.303 170 I C -2.419 173.681 176.117 -0.027 0.000 1.044 170 I CA -2.767 58.520 61.300 -0.022 0.000 1.064 170 I CB 2.287 40.273 38.000 -0.023 0.000 1.249 170 I HN 0.096 nan 8.210 nan 0.000 0.433 171 P HA 0.177 nan 4.420 nan 0.000 0.271 171 P C 0.620 177.913 177.300 -0.011 0.000 1.233 171 P CA 0.683 63.774 63.100 -0.015 0.000 0.764 171 P CB 0.985 32.684 31.700 -0.003 0.000 0.825 172 G N 3.583 112.362 108.800 -0.035 0.000 2.179 172 G HA2 -0.288 3.673 3.960 0.002 0.000 0.220 172 G HA3 -0.288 3.673 3.960 0.002 0.000 0.220 172 G C 0.621 175.451 174.900 -0.116 0.000 0.990 172 G CA 0.069 45.151 45.100 -0.030 0.000 0.646 172 G HN 0.515 nan 8.290 nan 0.000 0.517 173 I N 2.051 122.557 120.570 -0.108 0.000 2.953 173 I HA -0.037 4.134 4.170 0.002 0.000 0.271 173 I C 2.352 178.385 176.117 -0.140 0.000 1.286 173 I CA 2.046 63.285 61.300 -0.101 0.000 1.449 173 I CB -0.043 37.907 38.000 -0.083 0.000 1.086 173 I HN 0.501 nan 8.210 nan 0.000 0.483 174 E N -1.056 118.984 120.200 -0.266 0.000 2.502 174 E HA -0.169 4.182 4.350 0.002 0.000 0.194 174 E C 0.901 177.329 176.600 -0.286 0.000 1.062 174 E CA 0.923 57.158 56.400 -0.275 0.000 0.867 174 E CB -0.743 28.780 29.700 -0.295 0.000 0.888 174 E HN 0.685 nan 8.360 nan 0.000 0.510 175 H N -0.664 118.396 119.070 -0.017 0.000 2.549 175 H HA 0.285 4.842 4.556 0.002 0.000 0.279 175 H C -0.011 175.297 175.328 -0.034 0.000 1.018 175 H CA -0.533 55.503 56.048 -0.020 0.000 1.175 175 H CB 0.475 30.224 29.762 -0.022 0.000 1.485 175 H HN 0.095 nan 8.280 nan 0.000 0.543 176 C N 1.597 120.911 119.300 0.022 0.000 2.470 176 C HA 0.590 5.051 4.460 0.002 0.000 0.341 176 C C 0.620 175.586 174.990 -0.040 0.000 1.190 176 C CA -0.960 58.044 59.018 -0.024 0.000 1.904 176 C CB 0.943 28.653 27.740 -0.050 0.000 2.354 176 C HN 0.454 nan 8.230 nan 0.000 0.509 177 I N 0.200 120.729 120.570 -0.069 0.000 3.264 177 I HA 0.889 5.060 4.170 0.002 0.000 0.309 177 I C 0.015 176.047 176.117 -0.142 0.000 1.099 177 I CA -0.253 60.996 61.300 -0.084 0.000 0.989 177 I CB 1.880 39.832 38.000 -0.079 0.000 1.250 177 I HN 0.678 nan 8.210 nan 0.000 0.478 178 S N -0.062 115.521 115.700 -0.195 0.000 2.798 178 S HA 0.373 4.844 4.470 0.002 0.000 0.312 178 S C 0.851 175.237 174.600 -0.357 0.000 1.122 178 S CA 0.029 58.072 58.200 -0.262 0.000 0.949 178 S CB 1.102 64.126 63.200 -0.294 0.000 1.235 178 S HN 0.848 nan 8.310 nan 0.000 0.552 179 S N 0.582 116.037 115.700 -0.408 0.000 2.442 179 S HA -0.166 4.305 4.470 0.002 0.000 0.236 179 S C 1.287 175.657 174.600 -0.383 0.000 1.007 179 S CA 1.326 59.190 58.200 -0.561 0.000 0.965 179 S CB -1.227 61.740 63.200 -0.389 0.000 0.773 179 S HN 0.748 nan 8.310 nan 0.000 0.504 180 N N 1.843 120.328 118.700 -0.358 0.000 2.043 180 N HA -0.133 4.608 4.740 0.002 0.000 0.193 180 N C 1.700 176.984 175.510 -0.376 0.000 1.037 180 N CA 1.633 54.401 53.050 -0.469 0.000 0.851 180 N CB -0.234 37.596 38.487 -1.094 0.000 1.027 180 N HN 0.417 nan 8.380 nan 0.000 0.422 181 E N 0.728 120.708 120.200 -0.366 0.000 2.150 181 E HA -0.050 4.301 4.350 0.002 0.000 0.193 181 E C 1.946 178.614 176.600 0.113 0.000 0.985 181 E CA 0.820 57.219 56.400 -0.001 0.000 0.814 181 E CB -0.249 29.456 29.700 0.010 0.000 0.752 181 E HN 0.368 nan 8.360 nan 0.000 0.466 182 A N 0.359 123.111 122.820 -0.112 0.000 1.917 182 A HA -0.212 4.109 4.320 0.002 0.000 0.219 182 A C 1.759 179.363 177.584 0.034 0.000 1.182 182 A CA 1.404 53.367 52.037 -0.124 0.000 0.633 182 A CB -0.908 17.671 19.000 -0.702 0.000 0.819 182 A HN 0.277 nan 8.150 nan 0.000 0.448 183 F N -2.304 117.669 119.950 0.039 0.000 2.546 183 F HA -0.045 4.483 4.527 0.002 0.000 0.298 183 F C 1.144 176.691 175.800 -0.423 0.000 1.120 183 F CA 0.900 58.787 58.000 -0.188 0.000 1.456 183 F CB -0.322 38.458 39.000 -0.366 0.000 1.088 183 F HN 0.333 nan 8.300 nan 0.000 0.572 184 Y N -0.982 119.541 120.300 0.371 0.000 2.641 184 Y HA 0.324 4.875 4.550 0.002 0.000 0.248 184 Y C 0.441 176.534 175.900 0.321 0.000 1.170 184 Y CA -0.908 57.385 58.100 0.322 0.000 1.201 184 Y CB -0.263 38.405 38.460 0.346 0.000 1.232 184 Y HN -0.249 nan 8.280 nan 0.000 0.537 185 L N 4.128 125.639 121.223 0.480 0.000 2.490 185 L HA 0.029 4.370 4.340 0.002 0.000 0.274 185 L C -1.039 176.162 176.870 0.552 0.000 1.201 185 L CA -0.994 54.115 54.840 0.448 0.000 0.869 185 L CB 0.697 42.986 42.059 0.384 0.000 1.123 185 L HN 0.002 nan 8.230 nan 0.000 0.484 186 P HA -0.029 nan 4.420 nan 0.000 0.221 186 P C 0.034 177.532 177.300 0.330 0.000 1.155 186 P CA 1.052 64.341 63.100 0.314 0.000 0.812 186 P CB 0.643 32.459 31.700 0.193 0.000 0.801 187 E N 0.017 120.296 120.200 0.132 0.000 2.367 187 E HA 0.361 4.712 4.350 0.002 0.000 0.273 187 E C -2.696 173.616 176.600 -0.479 0.000 0.903 187 E CA -2.529 53.837 56.400 -0.057 0.000 0.764 187 E CB 2.635 32.327 29.700 -0.013 0.000 1.252 187 E HN 0.047 nan 8.360 nan 0.000 0.446 188 P HA 0.241 nan 4.420 nan 0.000 0.281 188 P C -2.636 174.415 177.300 -0.416 0.000 1.252 188 P CA -1.463 61.149 63.100 -0.813 0.000 0.778 188 P CB 0.213 31.580 31.700 -0.554 0.000 0.895 189 P HA 0.162 nan 4.420 nan 0.000 0.268 189 P C 1.160 178.339 177.300 -0.201 0.000 1.205 189 P CA -0.187 62.724 63.100 -0.314 0.000 0.771 189 P CB 0.633 32.070 31.700 -0.439 0.000 0.858 190 R N 2.903 123.329 120.500 -0.123 0.000 2.057 190 R HA -0.003 4.338 4.340 0.002 0.000 0.229 190 R C 0.033 176.308 176.300 -0.043 0.000 1.136 190 R CA 1.168 57.229 56.100 -0.066 0.000 0.952 190 R CB 0.189 30.460 30.300 -0.049 0.000 0.848 190 R HN 0.433 nan 8.270 nan 0.000 0.430 191 R N 0.314 120.798 120.500 -0.026 0.000 2.439 191 R HA 0.384 4.725 4.340 0.002 0.000 0.310 191 R C -1.474 174.878 176.300 0.088 0.000 0.955 191 R CA -0.442 55.701 56.100 0.070 0.000 0.853 191 R CB 2.697 33.051 30.300 0.090 0.000 1.171 191 R HN 0.012 nan 8.270 nan 0.000 0.449 192 V N 4.728 124.662 119.914 0.033 0.000 2.735 192 V HA 0.582 4.703 4.120 0.002 0.000 0.310 192 V C -1.642 174.302 176.094 -0.250 0.000 1.061 192 V CA -1.040 61.154 62.300 -0.177 0.000 0.913 192 V CB 2.071 33.590 31.823 -0.506 0.000 1.005 192 V HN 0.615 nan 8.190 nan 0.000 0.428 193 L N 5.354 126.257 121.223 -0.533 0.000 2.325 193 L HA 0.725 5.066 4.340 0.002 0.000 0.281 193 L C -0.206 176.471 176.870 -0.323 0.000 1.004 193 L CA 0.469 54.892 54.840 -0.695 0.000 0.823 193 L CB 1.858 43.101 42.059 -1.360 0.000 1.236 193 L HN 0.768 nan 8.230 nan 0.000 0.415 194 T N 4.634 119.096 114.554 -0.155 0.000 2.758 194 T HA 0.569 4.920 4.350 0.002 0.000 0.285 194 T C -0.939 173.736 174.700 -0.042 0.000 0.981 194 T CA -0.330 61.738 62.100 -0.053 0.000 0.965 194 T CB 0.680 69.586 68.868 0.064 0.000 0.927 194 T HN 0.367 nan 8.240 nan 0.000 0.448 195 V N 4.767 124.658 119.914 -0.038 0.000 2.333 195 V HA 0.824 4.945 4.120 0.002 0.000 0.274 195 V C 0.682 176.798 176.094 0.038 0.000 1.028 195 V CA 0.015 62.324 62.300 0.016 0.000 0.851 195 V CB 0.470 32.294 31.823 0.002 0.000 1.000 195 V HN 1.202 nan 8.190 nan 0.000 0.456 196 G N 3.452 112.305 108.800 0.087 0.000 2.326 196 G HA2 0.330 4.291 3.960 0.002 0.000 0.478 196 G HA3 0.330 4.291 3.960 0.002 0.000 0.478 196 G C 0.169 175.017 174.900 -0.086 0.000 1.551 196 G CA -0.311 44.830 45.100 0.069 0.000 0.946 196 G HN 0.939 nan 8.290 nan 0.000 0.671 197 G N -0.308 108.248 108.800 -0.408 0.000 3.126 197 G HA2 0.579 4.540 3.960 0.002 0.000 0.224 197 G HA3 0.579 4.540 3.960 0.002 0.000 0.224 197 G C 1.008 175.666 174.900 -0.403 0.000 1.142 197 G CA 1.157 45.830 45.100 -0.713 0.000 0.759 197 G HN 1.319 nan 8.290 nan 0.000 0.550 198 G N 0.143 108.812 108.800 -0.219 0.000 2.653 198 G HA2 0.330 4.291 3.960 0.002 0.000 0.265 198 G HA3 0.330 4.291 3.960 0.002 0.000 0.265 198 G C 0.853 175.723 174.900 -0.049 0.000 1.237 198 G CA -0.147 44.913 45.100 -0.066 0.000 0.946 198 G HN 0.278 nan 8.290 nan 0.000 0.522 199 F N -0.881 119.040 119.950 -0.048 0.000 2.186 199 F HA 0.014 4.542 4.527 0.002 0.000 0.299 199 F C 2.176 177.978 175.800 0.004 0.000 1.090 199 F CA 1.042 59.007 58.000 -0.059 0.000 1.307 199 F CB -0.384 38.607 39.000 -0.015 0.000 1.019 199 F HN 0.203 nan 8.300 nan 0.000 0.489 200 I N 0.125 120.209 120.570 -0.809 0.000 2.286 200 I HA -0.267 3.904 4.170 0.002 0.000 0.248 200 I C 2.813 178.886 176.117 -0.073 0.000 1.115 200 I CA 1.511 62.527 61.300 -0.474 0.000 1.392 200 I CB -0.660 37.019 38.000 -0.535 0.000 1.065 200 I HN 0.376 nan 8.210 nan 0.000 0.418 201 S N 0.297 115.932 115.700 -0.109 0.000 2.355 201 S HA -0.121 4.350 4.470 0.002 0.000 0.222 201 S C 2.096 176.701 174.600 0.008 0.000 1.031 201 S CA 1.211 59.394 58.200 -0.028 0.000 0.993 201 S CB -0.153 63.011 63.200 -0.059 0.000 0.859 201 S HN 0.210 nan 8.310 nan 0.000 0.453 202 V N 1.880 121.775 119.914 -0.032 0.000 2.343 202 V HA -0.157 3.964 4.120 0.002 0.000 0.247 202 V C 2.394 178.477 176.094 -0.018 0.000 1.051 202 V CA 2.071 64.353 62.300 -0.030 0.000 1.036 202 V CB -0.756 31.025 31.823 -0.070 0.000 0.654 202 V HN 0.526 nan 8.190 nan 0.000 0.451 203 E N -0.579 119.610 120.200 -0.018 0.000 2.051 203 E HA -0.202 4.149 4.350 0.002 0.000 0.192 203 E C 2.094 178.571 176.600 -0.204 0.000 0.991 203 E CA 1.475 57.826 56.400 -0.081 0.000 0.799 203 E CB -0.235 29.427 29.700 -0.063 0.000 0.748 203 E HN 0.568 nan 8.360 nan 0.000 0.449 204 F N 0.879 120.713 119.950 -0.193 0.000 2.216 204 F HA -0.132 4.396 4.527 0.002 0.000 0.300 204 F C 2.338 177.948 175.800 -0.316 0.000 1.085 204 F CA 1.005 58.770 58.000 -0.391 0.000 1.326 204 F CB -0.325 38.403 39.000 -0.454 0.000 1.027 204 F HN 0.008 nan 8.300 nan 0.000 0.497 205 A N -0.014 122.855 122.820 0.081 0.000 1.933 205 A HA -0.075 4.246 4.320 0.002 0.000 0.218 205 A C 2.560 180.205 177.584 0.101 0.000 1.175 205 A CA 1.729 53.857 52.037 0.153 0.000 0.628 205 A CB -1.538 17.523 19.000 0.102 0.000 0.814 205 A HN 0.392 nan 8.150 nan 0.000 0.444 206 G N -0.210 108.603 108.800 0.021 0.000 2.422 206 G HA2 -0.109 3.852 3.960 0.002 0.000 0.218 206 G HA3 -0.109 3.852 3.960 0.002 0.000 0.218 206 G C 1.495 176.420 174.900 0.043 0.000 1.140 206 G CA 1.013 46.127 45.100 0.023 0.000 0.775 206 G HN 0.483 nan 8.290 nan 0.000 0.545 207 I N -0.198 120.351 120.570 -0.035 0.000 2.202 207 I HA -0.066 4.105 4.170 0.002 0.000 0.242 207 I C 2.345 178.611 176.117 0.249 0.000 1.091 207 I CA 0.740 62.060 61.300 0.033 0.000 1.368 207 I CB -0.256 37.599 38.000 -0.242 0.000 1.058 207 I HN 0.022 nan 8.210 nan 0.000 0.410 208 F N 0.928 121.008 119.950 0.218 0.000 2.171 208 F HA -0.206 4.322 4.527 0.002 0.000 0.300 208 F C 2.379 178.255 175.800 0.126 0.000 1.090 208 F CA 1.239 59.328 58.000 0.147 0.000 1.293 208 F CB -1.305 37.733 39.000 0.062 0.000 1.013 208 F HN 0.209 nan 8.300 nan 0.000 0.486 209 N N 0.367 119.238 118.700 0.284 0.000 2.223 209 N HA -0.166 4.575 4.740 0.002 0.000 0.185 209 N C 1.861 177.452 175.510 0.135 0.000 1.016 209 N CA 1.126 54.277 53.050 0.169 0.000 0.863 209 N CB -0.001 38.555 38.487 0.114 0.000 0.983 209 N HN 0.274 nan 8.380 nan 0.000 0.429 210 A N -0.453 122.460 122.820 0.154 0.000 1.975 210 A HA -0.016 4.305 4.320 0.002 0.000 0.215 210 A C 0.903 178.464 177.584 -0.038 0.000 1.170 210 A CA 0.632 52.688 52.037 0.031 0.000 0.656 210 A CB -0.388 18.601 19.000 -0.019 0.000 0.821 210 A HN 0.417 nan 8.150 nan 0.000 0.449 211 Y N 1.050 121.471 120.300 0.201 0.000 2.532 211 Y HA 0.159 4.711 4.550 0.002 0.000 0.283 211 Y C 0.824 176.800 175.900 0.127 0.000 1.181 211 Y CA -0.298 57.938 58.100 0.225 0.000 1.256 211 Y CB -0.006 38.718 38.460 0.440 0.000 1.112 211 Y HN 0.325 nan 8.280 nan 0.000 0.521 212 K N 1.674 122.185 120.400 0.185 0.000 2.295 212 K HA 0.240 4.561 4.320 0.002 0.000 0.270 212 K C -2.633 174.006 176.600 0.065 0.000 1.011 212 K CA -1.542 54.798 56.287 0.089 0.000 0.953 212 K CB 0.263 32.804 32.500 0.068 0.000 0.956 212 K HN -0.053 nan 8.250 nan 0.000 0.477 213 P HA -0.034 nan 4.420 nan 0.000 0.274 213 P C 0.306 177.621 177.300 0.025 0.000 1.256 213 P CA -0.469 62.650 63.100 0.031 0.000 0.795 213 P CB 0.978 32.684 31.700 0.010 0.000 1.038 214 K N 0.590 121.006 120.400 0.026 0.000 2.054 214 K HA -0.249 4.072 4.320 0.002 0.000 0.227 214 K C 0.300 176.908 176.600 0.014 0.000 1.019 214 K CA 2.452 58.751 56.287 0.021 0.000 0.978 214 K CB -0.519 31.992 32.500 0.018 0.000 0.782 214 K HN 0.475 nan 8.250 nan 0.000 0.454 215 D N 0.412 120.816 120.400 0.007 0.000 3.058 215 D HA 0.174 4.815 4.640 0.002 0.000 0.272 215 D C 0.117 176.417 176.300 -0.000 0.000 1.350 215 D CA 0.104 54.105 54.000 0.001 0.000 0.863 215 D CB 0.498 41.295 40.800 -0.004 0.000 1.064 215 D HN 0.389 nan 8.370 nan 0.000 0.488 216 G N 0.438 109.241 108.800 0.006 0.000 2.528 216 G HA2 0.371 4.332 3.960 0.002 0.000 0.289 216 G HA3 0.371 4.332 3.960 0.002 0.000 0.289 216 G C -0.334 174.577 174.900 0.019 0.000 1.192 216 G CA -0.120 44.984 45.100 0.007 0.000 0.921 216 G HN 0.089 nan 8.290 nan 0.000 0.512 217 Q N -1.025 118.793 119.800 0.030 0.000 2.320 217 Q HA 0.491 4.832 4.340 0.002 0.000 0.272 217 Q C -1.560 174.488 176.000 0.080 0.000 1.023 217 Q CA -0.517 55.317 55.803 0.052 0.000 0.855 217 Q CB 2.229 30.998 28.738 0.052 0.000 1.367 217 Q HN 0.452 nan 8.270 nan 0.000 0.406 218 V N 3.349 123.314 119.914 0.085 0.000 2.417 218 V HA 0.737 4.858 4.120 0.002 0.000 0.291 218 V C -0.599 175.554 176.094 0.098 0.000 1.024 218 V CA -0.354 62.002 62.300 0.094 0.000 0.861 218 V CB 1.989 33.883 31.823 0.119 0.000 0.985 218 V HN 0.900 nan 8.190 nan 0.000 0.436 219 T N 6.395 121.002 114.554 0.089 0.000 2.841 219 T HA 0.554 4.905 4.350 0.002 0.000 0.283 219 T C -1.072 173.633 174.700 0.009 0.000 1.000 219 T CA -0.433 61.715 62.100 0.079 0.000 0.977 219 T CB 1.625 70.603 68.868 0.184 0.000 0.979 219 T HN 0.373 nan 8.240 nan 0.000 0.446 220 L N 4.322 125.561 121.223 0.027 0.000 2.356 220 L HA 0.766 5.107 4.340 0.002 0.000 0.277 220 L C -0.539 176.356 176.870 0.042 0.000 0.996 220 L CA -0.781 54.075 54.840 0.025 0.000 0.822 220 L CB 0.371 42.447 42.059 0.030 0.000 1.256 220 L HN 1.029 nan 8.230 nan 0.000 0.413 221 C N 3.552 122.891 119.300 0.064 0.000 2.561 221 C HA 0.827 5.288 4.460 0.002 0.000 0.319 221 C C -0.945 174.163 174.990 0.196 0.000 1.198 221 C CA -0.915 58.163 59.018 0.098 0.000 1.665 221 C CB 1.255 29.063 27.740 0.113 0.000 2.258 221 C HN 0.852 nan 8.230 nan 0.000 0.493 222 Y N 1.734 122.042 120.300 0.013 0.000 2.479 222 Y HA 0.484 5.035 4.550 0.002 0.000 0.338 222 Y C 1.057 176.972 175.900 0.026 0.000 1.055 222 Y CA -1.055 57.059 58.100 0.024 0.000 1.023 222 Y CB 1.344 39.815 38.460 0.019 0.000 1.287 222 Y HN 0.980 nan 8.280 nan 0.000 0.447 223 R N 2.693 122.954 120.500 -0.398 0.000 2.105 223 R HA 0.013 4.354 4.340 0.002 0.000 0.239 223 R C 0.722 176.661 176.300 -0.603 0.000 1.135 223 R CA 1.402 57.265 56.100 -0.395 0.000 0.967 223 R CB -0.478 29.679 30.300 -0.239 0.000 0.861 223 R HN 0.875 nan 8.270 nan 0.000 0.442 224 G N -0.296 107.699 108.800 -1.341 0.000 2.553 224 G HA2 -0.006 3.955 3.960 0.002 0.000 0.278 224 G HA3 -0.006 3.955 3.960 0.002 0.000 0.278 224 G C -0.031 174.677 174.900 -0.320 0.000 1.349 224 G CA -0.397 44.231 45.100 -0.786 0.000 1.037 224 G HN 0.357 nan 8.290 nan 0.000 0.508 225 E N -1.316 118.842 120.200 -0.071 0.000 2.318 225 E HA 0.143 4.494 4.350 0.002 0.000 0.193 225 E C 0.577 177.243 176.600 0.110 0.000 0.998 225 E CA 0.441 56.851 56.400 0.017 0.000 0.859 225 E CB 0.337 30.048 29.700 0.018 0.000 0.812 225 E HN 0.332 nan 8.360 nan 0.000 0.492 226 M N 0.915 120.655 119.600 0.232 0.000 2.414 226 M HA 0.265 4.746 4.480 0.002 0.000 0.287 226 M C -1.174 175.296 176.300 0.283 0.000 1.181 226 M CA -0.692 54.742 55.300 0.224 0.000 0.933 226 M CB 2.079 34.761 32.600 0.138 0.000 1.732 226 M HN -0.051 nan 8.290 nan 0.000 0.486 227 I N 1.016 121.647 120.570 0.102 0.000 3.194 227 I HA 0.214 4.385 4.170 0.002 0.000 0.283 227 I C 0.064 176.113 176.117 -0.112 0.000 1.199 227 I CA -0.633 60.579 61.300 -0.148 0.000 1.328 227 I CB 0.261 38.178 38.000 -0.138 0.000 1.404 227 I HN 0.900 nan 8.210 nan 0.000 0.618 228 L N 0.905 122.012 121.223 -0.194 0.000 3.677 228 L HA -0.199 4.142 4.340 0.002 0.000 0.464 228 L C 0.707 177.703 176.870 0.210 0.000 1.278 228 L CA 0.369 55.165 54.840 -0.073 0.000 0.806 228 L CB -1.275 40.596 42.059 -0.314 0.000 1.610 228 L HN 0.806 nan 8.230 nan 0.000 0.867 229 R N 0.882 121.471 120.500 0.148 0.000 2.585 229 R HA 0.268 4.609 4.340 0.002 0.000 0.275 229 R C 1.389 177.831 176.300 0.236 0.000 1.018 229 R CA 1.296 57.517 56.100 0.201 0.000 1.072 229 R CB 0.411 30.835 30.300 0.206 0.000 0.953 229 R HN 0.504 nan 8.270 nan 0.000 0.419 230 G N 2.894 111.778 108.800 0.139 0.000 2.213 230 G HA2 -0.259 3.702 3.960 0.002 0.000 0.236 230 G HA3 -0.259 3.702 3.960 0.002 0.000 0.236 230 G C -0.280 174.511 174.900 -0.181 0.000 0.991 230 G CA -0.108 44.980 45.100 -0.020 0.000 0.629 230 G HN 0.499 nan 8.290 nan 0.000 0.517 231 F N 1.257 121.206 119.950 -0.002 0.000 2.450 231 F HA 0.591 5.119 4.527 0.002 0.000 0.328 231 F C 0.683 176.442 175.800 -0.069 0.000 1.068 231 F CA -0.648 57.332 58.000 -0.033 0.000 1.007 231 F CB 0.887 39.870 39.000 -0.028 0.000 1.251 231 F HN 0.027 nan 8.300 nan 0.000 0.492 232 D N 0.497 120.895 120.400 -0.004 0.000 2.531 232 D HA -0.078 4.563 4.640 0.002 0.000 0.239 232 D C 1.264 177.563 176.300 -0.002 0.000 1.144 232 D CA 0.544 54.464 54.000 -0.133 0.000 0.869 232 D CB 0.397 40.975 40.800 -0.369 0.000 1.160 232 D HN 0.641 nan 8.370 nan 0.000 0.484 233 H N 1.152 120.222 119.070 -0.000 0.000 2.390 233 H HA -0.160 4.397 4.556 0.002 0.000 0.298 233 H C 1.410 176.759 175.328 0.035 0.000 1.106 233 H CA 1.995 58.063 56.048 0.033 0.000 1.297 233 H CB -0.394 29.394 29.762 0.044 0.000 1.375 233 H HN 0.357 nan 8.280 nan 0.000 0.509 234 T N 1.438 115.623 114.554 -0.615 0.000 2.777 234 T HA -0.039 4.312 4.350 0.002 0.000 0.266 234 T C 2.095 176.707 174.700 -0.148 0.000 1.040 234 T CA 1.425 63.304 62.100 -0.369 0.000 1.141 234 T CB -0.211 68.445 68.868 -0.353 0.000 0.868 234 T HN 0.280 nan 8.240 nan 0.000 0.444 235 L N 0.388 121.542 121.223 -0.115 0.000 2.093 235 L HA -0.054 4.287 4.340 0.002 0.000 0.208 235 L C 2.830 179.665 176.870 -0.058 0.000 1.085 235 L CA 1.302 56.097 54.840 -0.074 0.000 0.755 235 L CB -0.577 41.461 42.059 -0.035 0.000 0.904 235 L HN 0.188 nan 8.230 nan 0.000 0.435 236 R N 0.356 120.844 120.500 -0.020 0.000 2.073 236 R HA -0.154 4.187 4.340 0.002 0.000 0.234 236 R C 2.217 178.515 176.300 -0.004 0.000 1.134 236 R CA 1.472 57.570 56.100 -0.004 0.000 0.952 236 R CB -0.280 30.054 30.300 0.055 0.000 0.850 236 R HN 0.430 nan 8.270 nan 0.000 0.433 237 E N 0.346 120.551 120.200 0.010 0.000 2.051 237 E HA -0.223 4.128 4.350 0.002 0.000 0.192 237 E C 1.975 178.572 176.600 -0.006 0.000 0.991 237 E CA 1.140 57.549 56.400 0.016 0.000 0.799 237 E CB 0.001 29.721 29.700 0.033 0.000 0.748 237 E HN 0.175 nan 8.360 nan 0.000 0.449 238 E N 0.812 120.997 120.200 -0.026 0.000 2.077 238 E HA -0.162 4.189 4.350 0.002 0.000 0.193 238 E C 1.875 178.453 176.600 -0.036 0.000 0.989 238 E CA 0.495 56.876 56.400 -0.032 0.000 0.800 238 E CB -0.155 29.512 29.700 -0.054 0.000 0.746 238 E HN 0.106 nan 8.360 nan 0.000 0.452 239 L N 0.184 121.375 121.223 -0.054 0.000 2.046 239 L HA -0.130 4.211 4.340 0.002 0.000 0.208 239 L C 2.085 178.932 176.870 -0.037 0.000 1.077 239 L CA 2.030 56.834 54.840 -0.060 0.000 0.747 239 L CB -0.982 41.021 42.059 -0.094 0.000 0.896 239 L HN 0.119 nan 8.230 nan 0.000 0.432 240 T N -0.233 114.304 114.554 -0.029 0.000 2.684 240 T HA -0.238 4.113 4.350 0.002 0.000 0.267 240 T C 1.861 176.553 174.700 -0.014 0.000 1.036 240 T CA 1.966 64.056 62.100 -0.016 0.000 1.148 240 T CB -0.193 68.673 68.868 -0.003 0.000 0.863 240 T HN 0.377 nan 8.240 nan 0.000 0.436 241 K N 0.822 121.217 120.400 -0.009 0.000 2.097 241 K HA -0.094 4.227 4.320 0.002 0.000 0.206 241 K C 2.592 179.187 176.600 -0.008 0.000 1.049 241 K CA 1.228 57.510 56.287 -0.009 0.000 0.933 241 K CB -0.124 32.380 32.500 0.006 0.000 0.717 241 K HN 0.466 nan 8.250 nan 0.000 0.442 242 Q N 0.423 120.238 119.800 0.025 0.000 2.187 242 Q HA -0.004 4.337 4.340 0.002 0.000 0.199 242 Q C 2.133 178.151 176.000 0.031 0.000 0.957 242 Q CA 0.710 56.565 55.803 0.086 0.000 0.857 242 Q CB 0.067 28.875 28.738 0.116 0.000 0.929 242 Q HN 0.290 nan 8.270 nan 0.000 0.453 243 L N -0.036 121.186 121.223 -0.002 0.000 2.072 243 L HA -0.137 4.204 4.340 0.002 0.000 0.205 243 L C 2.333 179.184 176.870 -0.031 0.000 1.079 243 L CA 1.129 55.964 54.840 -0.009 0.000 0.752 243 L CB -0.572 41.480 42.059 -0.012 0.000 0.906 243 L HN 0.212 nan 8.230 nan 0.000 0.436 244 T N 0.118 114.646 114.554 -0.044 0.000 2.708 244 T HA -0.183 4.168 4.350 0.002 0.000 0.266 244 T C 1.994 176.624 174.700 -0.115 0.000 1.037 244 T CA 1.394 63.459 62.100 -0.059 0.000 1.146 244 T CB -0.247 68.591 68.868 -0.051 0.000 0.865 244 T HN 0.438 nan 8.240 nan 0.000 0.435 245 A N 1.755 124.459 122.820 -0.192 0.000 2.024 245 A HA -0.098 4.223 4.320 0.002 0.000 0.220 245 A C 2.019 179.389 177.584 -0.357 0.000 1.164 245 A CA 1.395 53.199 52.037 -0.389 0.000 0.643 245 A CB -0.531 17.993 19.000 -0.792 0.000 0.806 245 A HN 0.388 nan 8.150 nan 0.000 0.451 246 N N -0.812 117.771 118.700 -0.195 0.000 2.362 246 N HA 0.200 4.941 4.740 0.002 0.000 0.204 246 N C 0.956 176.437 175.510 -0.048 0.000 1.166 246 N CA 0.916 53.912 53.050 -0.090 0.000 0.831 246 N CB -0.062 38.428 38.487 0.005 0.000 1.008 246 N HN 0.566 nan 8.380 nan 0.000 0.472 247 G N -0.048 108.714 108.800 -0.062 0.000 2.176 247 G HA2 -0.256 3.705 3.960 0.002 0.000 0.253 247 G HA3 -0.256 3.705 3.960 0.002 0.000 0.253 247 G C 0.123 175.022 174.900 -0.002 0.000 0.979 247 G CA 0.010 45.093 45.100 -0.028 0.000 0.641 247 G HN 0.332 nan 8.290 nan 0.000 0.530 248 I N 1.065 121.634 120.570 -0.001 0.000 2.474 248 I HA 0.269 4.440 4.170 0.002 0.000 0.287 248 I C 0.780 176.906 176.117 0.015 0.000 1.048 248 I CA -0.214 61.099 61.300 0.021 0.000 1.383 248 I CB 1.457 39.472 38.000 0.025 0.000 1.412 248 I HN 0.207 nan 8.210 nan 0.000 0.531 249 Q N 7.021 126.840 119.800 0.032 0.000 2.331 249 Q HA 0.480 4.821 4.340 0.002 0.000 0.257 249 Q C -1.201 174.816 176.000 0.029 0.000 0.957 249 Q CA -0.510 55.311 55.803 0.029 0.000 0.923 249 Q CB 1.006 29.774 28.738 0.049 0.000 1.212 249 Q HN 0.580 nan 8.270 nan 0.000 0.443 250 I N 4.932 125.511 120.570 0.015 0.000 2.330 250 I HA 0.204 4.375 4.170 0.002 0.000 0.289 250 I C -1.018 175.103 176.117 0.006 0.000 1.001 250 I CA -0.917 60.393 61.300 0.018 0.000 1.193 250 I CB 1.214 39.224 38.000 0.017 0.000 1.345 250 I HN 0.461 nan 8.210 nan 0.000 0.461 251 L N 6.954 128.176 121.223 -0.002 0.000 2.277 251 L HA 0.363 4.704 4.340 0.002 0.000 0.284 251 L C 0.501 177.362 176.870 -0.015 0.000 1.028 251 L CA -0.245 54.567 54.840 -0.047 0.000 0.835 251 L CB 0.938 42.919 42.059 -0.131 0.000 1.215 251 L HN 0.583 nan 8.230 nan 0.000 0.425 252 T N -0.382 114.168 114.554 -0.008 0.000 2.928 252 T HA 0.470 4.821 4.350 0.002 0.000 0.284 252 T C 0.361 175.032 174.700 -0.048 0.000 1.008 252 T CA -0.885 61.222 62.100 0.012 0.000 1.057 252 T CB 1.290 70.186 68.868 0.046 0.000 1.018 252 T HN 0.502 nan 8.240 nan 0.000 0.493 253 K N 0.103 120.452 120.400 -0.086 0.000 3.117 253 K HA -0.126 4.195 4.320 0.002 0.000 0.269 253 K C -0.522 176.031 176.600 -0.078 0.000 1.098 253 K CA 0.616 56.842 56.287 -0.101 0.000 0.785 253 K CB -0.933 31.524 32.500 -0.072 0.000 1.242 253 K HN 0.687 nan 8.250 nan 0.000 0.491 254 E N 0.798 120.955 120.200 -0.071 0.000 2.248 254 E HA 0.421 4.772 4.350 0.002 0.000 0.267 254 E C -1.075 175.576 176.600 0.086 0.000 0.877 254 E CA -0.801 55.570 56.400 -0.047 0.000 0.759 254 E CB 2.001 31.555 29.700 -0.245 0.000 1.182 254 E HN 0.198 nan 8.360 nan 0.000 0.418 255 N N 2.077 120.906 118.700 0.214 0.000 2.455 255 N HA 0.292 5.033 4.740 0.002 0.000 0.285 255 N C -2.919 172.749 175.510 0.263 0.000 1.080 255 N CA -1.531 51.648 53.050 0.215 0.000 0.932 255 N CB 2.118 40.662 38.487 0.095 0.000 1.610 255 N HN 0.054 nan 8.380 nan 0.000 0.493 256 P HA 0.124 nan 4.420 nan 0.000 0.268 256 P C -0.488 176.796 177.300 -0.025 0.000 1.205 256 P CA -0.020 63.046 63.100 -0.056 0.000 0.771 256 P CB 1.454 33.062 31.700 -0.153 0.000 0.858 257 A N 4.268 127.055 122.820 -0.054 0.000 1.944 257 A HA 0.150 4.471 4.320 0.002 0.000 0.207 257 A C 0.761 178.323 177.584 -0.037 0.000 1.265 257 A CA 0.979 53.004 52.037 -0.021 0.000 0.712 257 A CB -0.067 18.934 19.000 0.001 0.000 0.915 257 A HN 0.661 nan 8.150 nan 0.000 0.470 258 K N -1.392 118.969 120.400 -0.065 0.000 2.532 258 K HA 0.658 4.979 4.320 0.002 0.000 0.265 258 K C -1.870 174.693 176.600 -0.061 0.000 0.948 258 K CA -0.736 55.524 56.287 -0.045 0.000 0.842 258 K CB 2.145 34.632 32.500 -0.022 0.000 1.392 258 K HN -0.082 nan 8.250 nan 0.000 0.436 259 V N 1.736 121.645 119.914 -0.009 0.000 2.380 259 V HA 0.281 4.402 4.120 0.002 0.000 0.286 259 V C -0.991 175.157 176.094 0.090 0.000 1.015 259 V CA -0.682 61.631 62.300 0.023 0.000 0.834 259 V CB 1.076 32.937 31.823 0.063 0.000 1.009 259 V HN 0.788 nan 8.190 nan 0.000 0.428 260 E N 3.677 123.880 120.200 0.005 0.000 2.156 260 E HA 0.464 4.815 4.350 0.002 0.000 0.279 260 E C -0.756 175.747 176.600 -0.161 0.000 0.965 260 E CA -0.960 55.420 56.400 -0.033 0.000 0.789 260 E CB 2.580 32.261 29.700 -0.031 0.000 1.098 260 E HN 0.479 nan 8.360 nan 0.000 0.397 261 L N 4.758 125.767 121.223 -0.357 0.000 2.367 261 L HA 0.156 4.497 4.340 0.002 0.000 0.275 261 L C -0.343 176.410 176.870 -0.195 0.000 1.129 261 L CA 0.069 54.660 54.840 -0.415 0.000 0.839 261 L CB 0.243 41.911 42.059 -0.651 0.000 1.133 261 L HN 0.541 nan 8.230 nan 0.000 0.453 262 N N 4.172 122.787 118.700 -0.141 0.000 2.272 262 N HA 0.431 5.172 4.740 0.002 0.000 0.305 262 N C 0.593 176.059 175.510 -0.074 0.000 1.103 262 N CA -0.071 52.925 53.050 -0.090 0.000 0.791 262 N CB 1.530 39.973 38.487 -0.074 0.000 1.356 262 N HN 0.822 nan 8.380 nan 0.000 0.486 263 A N 2.434 125.220 122.820 -0.056 0.000 2.021 263 A HA -0.426 3.895 4.320 0.002 0.000 0.307 263 A C 1.415 178.974 177.584 -0.041 0.000 3.940 263 A CA 2.921 54.933 52.037 -0.042 0.000 1.019 263 A CB -2.054 16.925 19.000 -0.036 0.000 0.595 263 A HN 0.973 nan 8.150 nan 0.000 0.467 264 D N -0.280 120.095 120.400 -0.041 0.000 2.403 264 D HA 0.194 4.835 4.640 0.002 0.000 0.227 264 D C 1.252 177.528 176.300 -0.040 0.000 0.995 264 D CA 1.667 55.645 54.000 -0.037 0.000 0.928 264 D CB -0.770 40.008 40.800 -0.037 0.000 0.887 264 D HN 1.901 nan 8.370 nan 0.000 0.529 265 G N 0.468 109.237 108.800 -0.051 0.000 2.176 265 G HA2 -0.293 3.668 3.960 0.002 0.000 0.232 265 G HA3 -0.293 3.668 3.960 0.002 0.000 0.232 265 G C 0.445 175.307 174.900 -0.064 0.000 0.986 265 G CA 0.404 45.471 45.100 -0.055 0.000 0.643 265 G HN 0.725 nan 8.290 nan 0.000 0.522 266 S N -0.805 114.857 115.700 -0.064 0.000 2.652 266 S HA 0.797 5.268 4.470 0.002 0.000 0.267 266 S C -0.121 174.434 174.600 -0.076 0.000 1.201 266 S CA -0.109 58.056 58.200 -0.059 0.000 0.996 266 S CB 1.591 64.756 63.200 -0.059 0.000 1.054 266 S HN 0.345 nan 8.310 nan 0.000 0.561 267 K N 0.382 120.754 120.400 -0.046 0.000 2.324 267 K HA 0.586 4.907 4.320 0.002 0.000 0.253 267 K C -0.923 175.661 176.600 -0.026 0.000 0.932 267 K CA -0.297 55.959 56.287 -0.052 0.000 0.799 267 K CB 2.005 34.496 32.500 -0.014 0.000 1.154 267 K HN 0.535 nan 8.250 nan 0.000 0.425 268 S N 1.827 117.497 115.700 -0.050 0.000 2.457 268 S HA 0.487 4.958 4.470 0.002 0.000 0.289 268 S C -0.754 173.819 174.600 -0.044 0.000 1.163 268 S CA -0.655 57.515 58.200 -0.050 0.000 1.078 268 S CB 0.410 63.576 63.200 -0.057 0.000 0.987 268 S HN 0.307 nan 8.310 nan 0.000 0.482 269 V N 5.241 125.127 119.914 -0.048 0.000 2.459 269 V HA 0.476 4.597 4.120 0.002 0.000 0.295 269 V C 0.017 175.937 176.094 -0.291 0.000 1.029 269 V CA -0.575 61.618 62.300 -0.177 0.000 0.874 269 V CB 1.956 33.666 31.823 -0.188 0.000 0.985 269 V HN 0.922 nan 8.190 nan 0.000 0.438 270 T N 5.776 120.162 114.554 -0.280 0.000 2.770 270 T HA 0.612 4.963 4.350 0.002 0.000 0.283 270 T C -0.433 174.124 174.700 -0.238 0.000 0.988 270 T CA -0.109 61.888 62.100 -0.171 0.000 0.957 270 T CB 0.465 69.300 68.868 -0.054 0.000 0.930 270 T HN 0.259 nan 8.240 nan 0.000 0.443 271 F N 1.071 121.048 119.950 0.045 0.000 2.370 271 F HA 0.299 4.827 4.527 0.002 0.000 0.319 271 F C 1.940 177.754 175.800 0.023 0.000 1.129 271 F CA -0.851 57.171 58.000 0.036 0.000 1.109 271 F CB 0.586 39.611 39.000 0.041 0.000 1.262 271 F HN 0.615 nan 8.300 nan 0.000 0.534 272 E N 0.044 120.367 120.200 0.205 0.000 2.331 272 E HA -0.181 4.170 4.350 0.002 0.000 0.199 272 E C 1.869 178.528 176.600 0.098 0.000 1.008 272 E CA 1.458 57.925 56.400 0.112 0.000 0.843 272 E CB -0.131 29.619 29.700 0.084 0.000 0.761 272 E HN 0.635 nan 8.360 nan 0.000 0.507 273 S N -1.404 114.370 115.700 0.124 0.000 2.496 273 S HA 0.147 4.618 4.470 0.002 0.000 0.224 273 S C 1.650 176.296 174.600 0.077 0.000 0.996 273 S CA 0.434 58.680 58.200 0.075 0.000 0.927 273 S CB 0.739 63.966 63.200 0.045 0.000 0.774 273 S HN 0.370 nan 8.310 nan 0.000 0.524 274 G N 0.917 109.785 108.800 0.113 0.000 2.253 274 G HA2 -0.187 3.774 3.960 0.002 0.000 0.209 274 G HA3 -0.187 3.774 3.960 0.002 0.000 0.209 274 G C -0.041 174.933 174.900 0.124 0.000 0.997 274 G CA -0.304 44.851 45.100 0.092 0.000 0.640 274 G HN 0.504 nan 8.290 nan 0.000 0.496 275 K N 0.782 121.289 120.400 0.178 0.000 2.414 275 K HA 0.399 4.720 4.320 0.002 0.000 0.272 275 K C 0.055 176.865 176.600 0.350 0.000 0.993 275 K CA 0.452 56.869 56.287 0.216 0.000 0.964 275 K CB 0.775 33.361 32.500 0.143 0.000 0.925 275 K HN 0.249 nan 8.250 nan 0.000 0.487 276 K N 3.231 123.772 120.400 0.236 0.000 2.482 276 K HA 0.400 4.721 4.320 0.002 0.000 0.251 276 K C -1.239 175.442 176.600 0.135 0.000 0.936 276 K CA -0.450 55.934 56.287 0.161 0.000 0.791 276 K CB 1.216 33.751 32.500 0.058 0.000 1.213 276 K HN 0.489 nan 8.250 nan 0.000 0.428 277 M N 1.995 121.662 119.600 0.111 0.000 2.531 277 M HA 0.329 4.810 4.480 0.002 0.000 0.286 277 M C -1.462 174.665 176.300 -0.287 0.000 1.232 277 M CA -0.877 54.373 55.300 -0.084 0.000 0.877 277 M CB 2.411 34.995 32.600 -0.026 0.000 1.726 277 M HN 0.514 nan 8.290 nan 0.000 0.463 278 D N 1.175 121.287 120.400 -0.481 0.000 2.185 278 D HA 0.668 5.309 4.640 0.002 0.000 0.247 278 D C -1.477 174.396 176.300 -0.712 0.000 1.027 278 D CA 0.160 53.919 54.000 -0.401 0.000 0.861 278 D CB 1.966 42.629 40.800 -0.229 0.000 1.202 278 D HN 0.204 nan 8.370 nan 0.000 0.453 279 F N -0.050 119.871 119.950 -0.048 0.000 2.643 279 F HA 0.201 4.729 4.527 0.001 0.000 0.314 279 F C 1.126 176.876 175.800 -0.083 0.000 1.096 279 F CA -0.804 57.159 58.000 -0.061 0.000 0.953 279 F CB 1.574 40.538 39.000 -0.059 0.000 1.345 279 F HN 0.109 nan 8.300 nan 0.000 0.468 280 D N 0.527 120.993 120.400 0.109 0.000 2.355 280 D HA 0.167 4.808 4.640 0.002 0.000 0.206 280 D C -0.394 175.885 176.300 -0.035 0.000 1.010 280 D CA 0.855 54.854 54.000 -0.001 0.000 0.875 280 D CB 1.202 41.974 40.800 -0.046 0.000 0.966 280 D HN 0.157 nan 8.370 nan 0.000 0.512 281 L N 0.556 121.748 121.223 -0.052 0.000 2.482 281 L HA 0.353 4.694 4.340 0.002 0.000 0.263 281 L C -1.740 175.033 176.870 -0.162 0.000 0.957 281 L CA -0.678 54.083 54.840 -0.133 0.000 0.836 281 L CB 2.598 44.500 42.059 -0.262 0.000 1.324 281 L HN -0.356 nan 8.230 nan 0.000 0.406 282 V N 5.545 125.373 119.914 -0.142 0.000 2.380 282 V HA 0.486 4.607 4.120 0.002 0.000 0.286 282 V C -0.195 175.811 176.094 -0.148 0.000 1.015 282 V CA -0.323 61.872 62.300 -0.175 0.000 0.834 282 V CB 1.477 33.228 31.823 -0.119 0.000 1.009 282 V HN 0.853 nan 8.190 nan 0.000 0.428 283 M N 6.020 125.522 119.600 -0.162 0.000 2.149 283 M HA 0.559 5.040 4.480 0.002 0.000 0.342 283 M C -0.878 175.346 176.300 -0.127 0.000 1.068 283 M CA -0.472 54.742 55.300 -0.143 0.000 0.991 283 M CB 1.274 33.795 32.600 -0.131 0.000 1.596 283 M HN 0.454 nan 8.290 nan 0.000 0.439 284 M N 4.418 123.943 119.600 -0.125 0.000 2.077 284 M HA 0.343 4.824 4.480 0.002 0.000 0.348 284 M C -0.261 175.973 176.300 -0.110 0.000 1.252 284 M CA -0.003 55.238 55.300 -0.098 0.000 1.096 284 M CB 0.631 33.175 32.600 -0.093 0.000 1.568 284 M HN 0.797 nan 8.290 nan 0.000 0.456 285 A N 4.775 127.546 122.820 -0.082 0.000 3.253 285 A HA 0.406 4.727 4.320 0.002 0.000 0.290 285 A C 0.844 178.406 177.584 -0.038 0.000 0.950 285 A CA -0.444 51.536 52.037 -0.095 0.000 0.986 285 A CB -0.350 18.571 19.000 -0.133 0.000 1.104 285 A HN 0.943 nan 8.150 nan 0.000 0.481 286 I N -3.649 116.931 120.570 0.017 0.000 3.427 286 I HA 0.566 4.737 4.170 0.002 0.000 0.288 286 I C 0.717 176.895 176.117 0.103 0.000 1.249 286 I CA 0.400 61.749 61.300 0.083 0.000 1.421 286 I CB 0.571 38.650 38.000 0.132 0.000 1.086 286 I HN 0.338 nan 8.210 nan 0.000 0.448 287 G N 1.099 109.957 108.800 0.097 0.000 2.466 287 G HA2 0.500 4.461 3.960 0.002 0.000 0.291 287 G HA3 0.500 4.461 3.960 0.002 0.000 0.291 287 G C -1.753 173.211 174.900 0.105 0.000 1.460 287 G CA -0.924 44.236 45.100 0.100 0.000 0.791 287 G HN 0.017 nan 8.290 nan 0.000 0.505 288 R N 0.137 120.695 120.500 0.097 0.000 2.561 288 R HA 0.747 5.088 4.340 0.002 0.000 0.297 288 R C -0.939 175.434 176.300 0.123 0.000 0.969 288 R CA -0.658 55.510 56.100 0.113 0.000 0.879 288 R CB 1.903 32.268 30.300 0.109 0.000 1.178 288 R HN 0.627 nan 8.270 nan 0.000 0.445 289 S N 2.886 118.684 115.700 0.164 0.000 2.542 289 S HA 0.565 5.036 4.470 0.002 0.000 0.293 289 S C -2.683 172.017 174.600 0.166 0.000 1.089 289 S CA -1.750 56.533 58.200 0.139 0.000 0.961 289 S CB 2.391 65.673 63.200 0.136 0.000 1.062 289 S HN 0.266 nan 8.310 nan 0.000 0.483 290 P HA 0.180 nan 4.420 nan 0.000 0.268 290 P C -0.738 176.635 177.300 0.123 0.000 1.205 290 P CA -0.204 62.968 63.100 0.121 0.000 0.771 290 P CB 0.311 32.062 31.700 0.085 0.000 0.858 291 R N 1.831 122.404 120.500 0.122 0.000 2.419 291 R HA 0.174 4.515 4.340 0.002 0.000 0.305 291 R C 0.858 177.193 176.300 0.058 0.000 1.242 291 R CA 0.088 56.239 56.100 0.086 0.000 1.105 291 R CB -0.340 30.000 30.300 0.068 0.000 1.116 291 R HN 0.549 nan 8.270 nan 0.000 0.523 292 T N -1.793 112.790 114.554 0.049 0.000 2.978 292 T HA -0.039 4.312 4.350 0.002 0.000 0.248 292 T C 1.625 176.338 174.700 0.022 0.000 1.018 292 T CA -0.274 61.847 62.100 0.036 0.000 1.026 292 T CB 0.194 69.084 68.868 0.037 0.000 1.032 292 T HN 0.421 nan 8.240 nan 0.000 0.485 293 K N 1.928 122.336 120.400 0.014 0.000 2.009 293 K HA -0.150 4.171 4.320 0.002 0.000 0.210 293 K C 1.253 177.845 176.600 -0.013 0.000 1.049 293 K CA 1.946 58.232 56.287 -0.002 0.000 0.929 293 K CB -0.659 31.835 32.500 -0.010 0.000 0.714 293 K HN 0.097 nan 8.250 nan 0.000 0.440 294 D N 1.091 121.483 120.400 -0.014 0.000 2.384 294 D HA -0.068 4.573 4.640 0.002 0.000 0.222 294 D C 1.703 178.013 176.300 0.018 0.000 0.976 294 D CA 0.723 54.715 54.000 -0.014 0.000 0.915 294 D CB -0.007 40.804 40.800 0.019 0.000 0.896 294 D HN 0.327 nan 8.370 nan 0.000 0.523 295 L N -0.016 121.218 121.223 0.018 0.000 2.509 295 L HA -0.006 4.335 4.340 0.002 0.000 0.222 295 L C 0.329 177.202 176.870 0.004 0.000 1.123 295 L CA 0.056 54.908 54.840 0.019 0.000 0.856 295 L CB -0.144 41.928 42.059 0.022 0.000 0.985 295 L HN -0.124 nan 8.230 nan 0.000 0.456 296 Q N -0.030 119.767 119.800 -0.005 0.000 2.453 296 Q HA -0.223 4.118 4.340 0.002 0.000 0.294 296 Q C 1.176 177.170 176.000 -0.009 0.000 1.295 296 Q CA 0.604 56.400 55.803 -0.012 0.000 0.853 296 Q CB -2.246 26.482 28.738 -0.018 0.000 1.193 296 Q HN 0.536 nan 8.270 nan 0.000 0.461 297 L N 0.075 121.295 121.223 -0.004 0.000 2.189 297 L HA -0.257 4.084 4.340 0.002 0.000 0.214 297 L C 2.567 179.432 176.870 -0.008 0.000 1.097 297 L CA 2.125 56.962 54.840 -0.004 0.000 0.764 297 L CB -0.522 41.538 42.059 0.002 0.000 0.900 297 L HN 0.452 nan 8.230 nan 0.000 0.436 298 Q N -0.023 119.772 119.800 -0.008 0.000 2.436 298 Q HA -0.178 4.163 4.340 0.002 0.000 0.209 298 Q C 1.106 177.099 176.000 -0.012 0.000 0.965 298 Q CA 1.349 57.146 55.803 -0.009 0.000 0.910 298 Q CB -1.012 27.721 28.738 -0.009 0.000 0.980 298 Q HN 0.624 nan 8.270 nan 0.000 0.491 299 N N 0.362 119.053 118.700 -0.014 0.000 2.573 299 N HA 0.026 4.767 4.740 0.002 0.000 0.187 299 N C 0.999 176.499 175.510 -0.017 0.000 1.107 299 N CA 0.706 53.747 53.050 -0.016 0.000 0.918 299 N CB 0.173 38.650 38.487 -0.017 0.000 0.966 299 N HN 0.465 nan 8.380 nan 0.000 0.448 300 A N -0.472 122.338 122.820 -0.018 0.000 2.474 300 A HA 0.441 4.762 4.320 0.002 0.000 0.221 300 A C 1.159 178.730 177.584 -0.020 0.000 1.298 300 A CA 0.433 52.456 52.037 -0.022 0.000 1.008 300 A CB 0.388 19.371 19.000 -0.027 0.000 1.217 300 A HN 0.141 nan 8.150 nan 0.000 0.553 301 G N 0.384 109.175 108.800 -0.015 0.000 2.212 301 G HA2 -0.015 3.946 3.960 0.002 0.000 0.255 301 G HA3 -0.015 3.946 3.960 0.002 0.000 0.255 301 G C 0.282 175.175 174.900 -0.011 0.000 1.062 301 G CA 0.400 45.493 45.100 -0.012 0.000 0.815 301 G HN 1.844 nan 8.290 nan 0.000 0.497 302 V N -2.001 117.906 119.914 -0.011 0.000 2.498 302 V HA 0.767 4.888 4.120 0.002 0.000 0.279 302 V C 1.060 177.154 176.094 -0.000 0.000 1.048 302 V CA -1.346 60.949 62.300 -0.009 0.000 0.967 302 V CB 1.358 33.174 31.823 -0.011 0.000 0.988 302 V HN 0.275 nan 8.190 nan 0.000 0.473 303 M N 5.220 124.822 119.600 0.003 0.000 2.252 303 M HA 0.398 4.879 4.480 0.002 0.000 0.333 303 M C -0.316 175.990 176.300 0.011 0.000 1.111 303 M CA 0.144 55.449 55.300 0.007 0.000 1.140 303 M CB 0.645 33.250 32.600 0.008 0.000 1.538 303 M HN 0.585 nan 8.290 nan 0.000 0.448 304 I N 2.587 123.164 120.570 0.011 0.000 2.545 304 I HA 0.276 4.447 4.170 0.002 0.000 0.292 304 I C 0.431 176.555 176.117 0.012 0.000 1.040 304 I CA -0.322 60.986 61.300 0.014 0.000 1.068 304 I CB 1.739 39.747 38.000 0.014 0.000 1.251 304 I HN 0.628 nan 8.210 nan 0.000 0.424 305 K N 3.650 124.057 120.400 0.012 0.000 2.313 305 K HA 0.279 4.600 4.320 0.002 0.000 0.215 305 K C 0.428 177.033 176.600 0.008 0.000 1.109 305 K CA 0.989 57.282 56.287 0.009 0.000 0.895 305 K CB 0.460 32.964 32.500 0.008 0.000 1.234 305 K HN 0.456 nan 8.250 nan 0.000 0.463 306 N N 0.070 118.776 118.700 0.009 0.000 2.752 306 N HA 0.221 4.962 4.740 0.002 0.000 0.260 306 N C -0.466 175.051 175.510 0.012 0.000 1.562 306 N CA 0.610 53.664 53.050 0.008 0.000 0.788 306 N CB 1.317 39.807 38.487 0.004 0.000 1.192 306 N HN 0.500 nan 8.380 nan 0.000 0.503 307 G N 0.405 109.214 108.800 0.016 0.000 2.498 307 G HA2 -0.256 3.705 3.960 0.002 0.000 0.229 307 G HA3 -0.256 3.705 3.960 0.002 0.000 0.229 307 G C 0.471 175.390 174.900 0.032 0.000 1.156 307 G CA 0.096 45.210 45.100 0.024 0.000 0.680 307 G HN 0.648 nan 8.290 nan 0.000 0.512 308 G N -0.389 108.428 108.800 0.029 0.000 2.462 308 G HA2 0.645 4.606 3.960 0.002 0.000 0.319 308 G HA3 0.645 4.606 3.960 0.002 0.000 0.319 308 G C 0.094 175.011 174.900 0.028 0.000 1.171 308 G CA 0.166 45.286 45.100 0.034 0.000 0.920 308 G HN 0.995 nan 8.290 nan 0.000 0.499 309 V N 0.810 120.743 119.914 0.032 0.000 2.599 309 V HA 0.033 4.154 4.120 0.002 0.000 0.300 309 V C 0.812 176.922 176.094 0.026 0.000 1.034 309 V CA 0.149 62.466 62.300 0.029 0.000 1.115 309 V CB 1.086 32.931 31.823 0.036 0.000 0.934 309 V HN 0.786 nan 8.190 nan 0.000 0.485 310 Q N 4.112 123.925 119.800 0.022 0.000 2.293 310 Q HA 0.495 4.836 4.340 0.002 0.000 0.263 310 Q C -0.689 175.329 176.000 0.031 0.000 1.002 310 Q CA -0.343 55.472 55.803 0.021 0.000 0.910 310 Q CB 1.229 29.978 28.738 0.017 0.000 1.185 310 Q HN 0.785 nan 8.270 nan 0.000 0.401 311 V N 0.818 120.752 119.914 0.034 0.000 3.078 311 V HA 0.585 4.706 4.120 0.002 0.000 0.311 311 V C -0.799 175.324 176.094 0.049 0.000 1.138 311 V CA -1.110 61.222 62.300 0.054 0.000 1.007 311 V CB 1.939 33.803 31.823 0.068 0.000 1.045 311 V HN 0.897 nan 8.190 nan 0.000 0.432 312 D N 0.030 120.475 120.400 0.076 0.000 2.529 312 D HA 0.295 4.936 4.640 0.002 0.000 0.273 312 D C 0.738 177.071 176.300 0.055 0.000 1.197 312 D CA -0.522 53.523 54.000 0.076 0.000 1.070 312 D CB 0.651 41.523 40.800 0.121 0.000 1.134 312 D HN 0.658 nan 8.370 nan 0.000 0.590 313 E N -1.388 118.818 120.200 0.010 0.000 2.331 313 E HA -0.192 4.159 4.350 0.002 0.000 0.199 313 E C 0.403 176.845 176.600 -0.263 0.000 1.008 313 E CA 0.969 57.291 56.400 -0.131 0.000 0.843 313 E CB -0.229 29.326 29.700 -0.241 0.000 0.761 313 E HN 0.464 nan 8.360 nan 0.000 0.507 314 Y N -0.487 119.838 120.300 0.043 0.000 2.571 314 Y HA 0.143 4.695 4.550 0.002 0.000 0.275 314 Y C 0.800 176.716 175.900 0.027 0.000 1.179 314 Y CA -0.165 57.948 58.100 0.021 0.000 1.242 314 Y CB 0.581 39.039 38.460 -0.004 0.000 1.126 314 Y HN -0.167 nan 8.280 nan 0.000 0.524 315 S N -0.092 115.693 115.700 0.142 0.000 3.380 315 S HA -0.234 4.237 4.470 0.002 0.000 0.300 315 S C 0.348 175.075 174.600 0.211 0.000 1.255 315 S CA 0.575 58.860 58.200 0.141 0.000 0.963 315 S CB -1.160 62.110 63.200 0.116 0.000 1.106 315 S HN 0.504 nan 8.310 nan 0.000 0.629 316 R N 1.596 122.235 120.500 0.231 0.000 2.410 316 R HA 0.477 4.818 4.340 0.002 0.000 0.288 316 R C 1.174 177.564 176.300 0.150 0.000 1.051 316 R CA 0.213 56.481 56.100 0.281 0.000 1.021 316 R CB 0.657 31.110 30.300 0.255 0.000 1.032 316 R HN 0.482 nan 8.270 nan 0.000 0.481 317 T N -1.468 113.139 114.554 0.089 0.000 2.973 317 T HA 0.022 4.373 4.350 0.002 0.000 0.308 317 T C 1.241 175.956 174.700 0.025 0.000 1.177 317 T CA -0.500 61.624 62.100 0.040 0.000 0.938 317 T CB 0.298 69.170 68.868 0.007 0.000 1.791 317 T HN 0.669 nan 8.240 nan 0.000 0.581 318 N N -0.425 118.280 118.700 0.009 0.000 2.463 318 N HA 0.008 4.749 4.740 0.002 0.000 0.181 318 N C 0.003 175.507 175.510 -0.009 0.000 1.078 318 N CA 0.081 53.134 53.050 0.006 0.000 0.902 318 N CB -0.348 38.142 38.487 0.005 0.000 0.970 318 N HN 0.372 nan 8.380 nan 0.000 0.451 319 V N 2.611 122.507 119.914 -0.030 0.000 2.318 319 V HA 0.090 4.211 4.120 0.002 0.000 0.271 319 V C 1.444 177.491 176.094 -0.078 0.000 1.030 319 V CA -0.284 61.987 62.300 -0.048 0.000 0.844 319 V CB 0.786 32.575 31.823 -0.058 0.000 1.015 319 V HN 0.335 nan 8.190 nan 0.000 0.460 320 S N 4.440 120.111 115.700 -0.048 0.000 2.509 320 S HA -0.346 4.125 4.470 0.002 0.000 0.285 320 S C 1.292 175.850 174.600 -0.070 0.000 1.185 320 S CA 2.528 60.710 58.200 -0.029 0.000 1.152 320 S CB -0.635 62.558 63.200 -0.012 0.000 1.088 320 S HN 0.959 nan 8.310 nan 0.000 0.446 321 N N 1.333 119.946 118.700 -0.144 0.000 2.238 321 N HA 0.275 5.016 4.740 0.002 0.000 0.222 321 N C -0.252 174.918 175.510 -0.567 0.000 1.133 321 N CA -0.210 52.715 53.050 -0.208 0.000 0.854 321 N CB -0.208 38.223 38.487 -0.093 0.000 1.041 321 N HN 0.583 nan 8.380 nan 0.000 0.510 322 I N 1.094 121.282 120.570 -0.637 0.000 2.465 322 I HA 0.376 4.547 4.170 0.002 0.000 0.291 322 I C -1.059 174.678 176.117 -0.635 0.000 1.014 322 I CA -1.032 59.926 61.300 -0.570 0.000 1.093 322 I CB 1.121 38.988 38.000 -0.221 0.000 1.267 322 I HN -0.153 nan 8.210 nan 0.000 0.431 323 Y N 3.935 124.263 120.300 0.048 0.000 2.602 323 Y HA 0.858 5.409 4.550 0.002 0.000 0.342 323 Y C -0.001 175.927 175.900 0.048 0.000 1.029 323 Y CA -1.306 56.818 58.100 0.040 0.000 1.080 323 Y CB 1.803 40.277 38.460 0.024 0.000 1.284 323 Y HN 0.545 nan 8.280 nan 0.000 0.485 324 A N 1.746 124.690 122.820 0.207 0.000 2.427 324 A HA 0.861 5.182 4.320 0.002 0.000 0.298 324 A C -1.477 176.182 177.584 0.125 0.000 1.036 324 A CA -0.582 51.537 52.037 0.137 0.000 0.701 324 A CB 0.857 19.912 19.000 0.092 0.000 1.250 324 A HN 0.757 nan 8.150 nan 0.000 0.412 325 I N -0.987 119.651 120.570 0.114 0.000 3.174 325 I HA 1.002 5.173 4.170 0.002 0.000 0.313 325 I C 0.536 176.710 176.117 0.095 0.000 1.155 325 I CA 0.071 61.433 61.300 0.104 0.000 0.977 325 I CB 1.526 39.590 38.000 0.106 0.000 1.248 325 I HN 2.161 nan 8.210 nan 0.000 0.453 326 G N 2.073 110.930 108.800 0.095 0.000 2.568 326 G HA2 -0.201 3.760 3.960 0.002 0.000 0.222 326 G HA3 -0.201 3.760 3.960 0.002 0.000 0.222 326 G C 0.033 174.984 174.900 0.085 0.000 1.321 326 G CA 0.423 45.579 45.100 0.092 0.000 0.893 326 G HN 0.806 nan 8.290 nan 0.000 0.569 327 D N -0.548 119.908 120.400 0.093 0.000 2.178 327 D HA -0.043 4.598 4.640 0.002 0.000 0.201 327 D C 2.496 178.848 176.300 0.087 0.000 0.980 327 D CA 1.357 55.415 54.000 0.096 0.000 0.842 327 D CB -0.306 40.566 40.800 0.120 0.000 0.948 327 D HN 0.498 nan 8.370 nan 0.000 0.472 328 V N 1.102 121.067 119.914 0.086 0.000 2.828 328 V HA -0.195 3.926 4.120 0.002 0.000 0.260 328 V C 2.070 178.200 176.094 0.059 0.000 1.101 328 V CA 2.304 64.650 62.300 0.076 0.000 1.123 328 V CB -0.604 31.264 31.823 0.075 0.000 0.704 328 V HN 0.403 nan 8.190 nan 0.000 0.493 329 T N -3.564 111.020 114.554 0.051 0.000 3.065 329 T HA 0.050 4.401 4.350 0.002 0.000 0.252 329 T C 1.155 175.862 174.700 0.012 0.000 1.099 329 T CA 0.539 62.657 62.100 0.031 0.000 1.063 329 T CB -0.330 68.553 68.868 0.025 0.000 0.948 329 T HN 0.432 nan 8.240 nan 0.000 0.506 330 N N 1.085 119.799 118.700 0.024 0.000 2.735 330 N HA -0.175 4.566 4.740 0.002 0.000 0.248 330 N C 0.515 176.018 175.510 -0.013 0.000 1.083 330 N CA 0.661 53.722 53.050 0.019 0.000 0.703 330 N CB -0.988 37.511 38.487 0.020 0.000 1.005 330 N HN 0.658 nan 8.380 nan 0.000 0.550 331 R N -1.089 119.385 120.500 -0.043 0.000 1.991 331 R HA 0.356 4.697 4.340 0.002 0.000 0.205 331 R C 0.247 176.509 176.300 -0.063 0.000 1.356 331 R CA 1.092 57.120 56.100 -0.119 0.000 1.066 331 R CB 0.220 30.350 30.300 -0.284 0.000 0.854 331 R HN 0.028 nan 8.270 nan 0.000 0.487 332 V N 2.061 121.962 119.914 -0.022 0.000 2.380 332 V HA 0.274 4.395 4.120 0.002 0.000 0.286 332 V C -0.508 175.627 176.094 0.069 0.000 1.015 332 V CA -0.328 61.997 62.300 0.041 0.000 0.834 332 V CB 1.550 33.428 31.823 0.093 0.000 1.009 332 V HN 0.359 nan 8.190 nan 0.000 0.428 333 M N 6.719 126.365 119.600 0.076 0.000 3.011 333 M HA 0.443 4.924 4.480 0.002 0.000 0.292 333 M C -0.974 175.386 176.300 0.100 0.000 1.440 333 M CA 0.608 55.970 55.300 0.103 0.000 1.552 333 M CB -0.440 32.240 32.600 0.134 0.000 1.187 333 M HN 0.453 nan 8.290 nan 0.000 0.520 334 L N -0.152 121.120 121.223 0.082 0.000 2.434 334 L HA 0.387 4.728 4.340 0.002 0.000 0.260 334 L C 1.022 177.934 176.870 0.069 0.000 0.983 334 L CA -0.596 54.282 54.840 0.062 0.000 0.820 334 L CB 2.353 44.429 42.059 0.028 0.000 1.361 334 L HN 0.270 nan 8.230 nan 0.000 0.410 335 T N 0.588 115.181 114.554 0.065 0.000 2.708 335 T HA -0.059 4.292 4.350 0.002 0.000 0.266 335 T C -1.169 173.561 174.700 0.049 0.000 1.037 335 T CA 1.718 63.854 62.100 0.060 0.000 1.146 335 T CB -0.494 68.407 68.868 0.056 0.000 0.865 335 T HN 0.458 nan 8.240 nan 0.000 0.435 336 P HA -0.007 nan 4.420 nan 0.000 0.217 336 P C 1.594 178.912 177.300 0.031 0.000 1.150 336 P CA 0.543 63.661 63.100 0.030 0.000 0.832 336 P CB -0.146 31.567 31.700 0.021 0.000 0.787 337 V N 0.282 120.222 119.914 0.042 0.000 2.295 337 V HA -0.254 3.867 4.120 0.002 0.000 0.246 337 V C 2.467 178.603 176.094 0.070 0.000 1.049 337 V CA 2.260 64.591 62.300 0.053 0.000 1.024 337 V CB -1.727 30.155 31.823 0.098 0.000 0.648 337 V HN 0.098 nan 8.190 nan 0.000 0.447 338 A N -0.250 122.618 122.820 0.080 0.000 1.940 338 A HA -0.202 4.119 4.320 0.002 0.000 0.219 338 A C 2.192 179.818 177.584 0.071 0.000 1.176 338 A CA 1.990 54.078 52.037 0.084 0.000 0.631 338 A CB -0.572 18.477 19.000 0.081 0.000 0.814 338 A HN 0.521 nan 8.150 nan 0.000 0.446 339 I N -0.345 120.259 120.570 0.057 0.000 2.252 339 I HA -0.239 3.932 4.170 0.002 0.000 0.245 339 I C 2.539 178.685 176.117 0.049 0.000 1.102 339 I CA 1.296 62.628 61.300 0.053 0.000 1.385 339 I CB -0.387 37.638 38.000 0.042 0.000 1.064 339 I HN 0.483 nan 8.210 nan 0.000 0.414 340 N N 1.012 119.731 118.700 0.031 0.000 2.084 340 N HA -0.211 4.530 4.740 0.002 0.000 0.190 340 N C 1.715 177.235 175.510 0.017 0.000 1.030 340 N CA 1.509 54.566 53.050 0.011 0.000 0.849 340 N CB 0.058 38.528 38.487 -0.029 0.000 1.012 340 N HN 0.410 nan 8.380 nan 0.000 0.423 341 E N 0.440 120.659 120.200 0.031 0.000 2.118 341 E HA -0.148 4.203 4.350 0.002 0.000 0.195 341 E C 2.017 178.650 176.600 0.056 0.000 0.992 341 E CA 1.074 57.504 56.400 0.051 0.000 0.804 341 E CB -0.111 29.648 29.700 0.099 0.000 0.741 341 E HN 0.419 nan 8.360 nan 0.000 0.458 342 A N 1.597 124.458 122.820 0.068 0.000 1.858 342 A HA -0.138 4.183 4.320 0.002 0.000 0.216 342 A C 2.431 180.064 177.584 0.082 0.000 1.190 342 A CA 1.806 53.891 52.037 0.080 0.000 0.617 342 A CB -0.802 18.255 19.000 0.095 0.000 0.827 342 A HN 0.301 nan 8.150 nan 0.000 0.443 343 A N -0.260 122.612 122.820 0.086 0.000 1.902 343 A HA 0.141 4.462 4.320 0.002 0.000 0.217 343 A C 2.504 180.137 177.584 0.081 0.000 1.181 343 A CA 2.230 54.328 52.037 0.101 0.000 0.623 343 A CB -1.026 18.030 19.000 0.094 0.000 0.818 343 A HN 1.099 nan 8.150 nan 0.000 0.443 344 A N -0.370 122.480 122.820 0.050 0.000 1.902 344 A HA -0.031 4.290 4.320 0.002 0.000 0.217 344 A C 2.148 179.740 177.584 0.013 0.000 1.181 344 A CA 1.522 53.582 52.037 0.038 0.000 0.623 344 A CB -0.528 18.485 19.000 0.022 0.000 0.818 344 A HN 0.536 nan 8.150 nan 0.000 0.443 345 L N 0.304 121.520 121.223 -0.011 0.000 2.017 345 L HA -0.115 4.226 4.340 0.002 0.000 0.208 345 L C 2.394 179.149 176.870 -0.192 0.000 1.073 345 L CA 2.196 56.969 54.840 -0.112 0.000 0.745 345 L CB -1.038 40.961 42.059 -0.100 0.000 0.894 345 L HN 0.247 nan 8.230 nan 0.000 0.432 346 V N 0.808 120.688 119.914 -0.056 0.000 2.380 346 V HA -0.314 3.807 4.120 0.002 0.000 0.251 346 V C 2.321 178.342 176.094 -0.121 0.000 1.063 346 V CA 2.110 64.421 62.300 0.018 0.000 1.055 346 V CB -0.675 31.259 31.823 0.184 0.000 0.657 346 V HN 0.442 nan 8.190 nan 0.000 0.455 347 D N -0.231 120.143 120.400 -0.043 0.000 2.084 347 D HA -0.125 4.516 4.640 0.002 0.000 0.196 347 D C 2.295 178.505 176.300 -0.151 0.000 0.985 347 D CA 1.813 55.790 54.000 -0.039 0.000 0.826 347 D CB -0.589 40.257 40.800 0.076 0.000 0.978 347 D HN 0.359 nan 8.370 nan 0.000 0.456 348 T N -0.112 114.352 114.554 -0.150 0.000 2.897 348 T HA -0.075 4.276 4.350 0.002 0.000 0.271 348 T C 1.929 176.419 174.700 -0.349 0.000 1.084 348 T CA 0.613 62.595 62.100 -0.196 0.000 1.123 348 T CB -0.018 68.777 68.868 -0.123 0.000 0.865 348 T HN -0.013 nan 8.240 nan 0.000 0.496 349 V N -0.655 118.930 119.914 -0.548 0.000 2.922 349 V HA 0.207 4.328 4.120 0.002 0.000 0.242 349 V C 1.120 176.669 176.094 -0.909 0.000 1.094 349 V CA 0.839 62.620 62.300 -0.865 0.000 1.106 349 V CB -0.132 30.877 31.823 -1.356 0.000 0.799 349 V HN 0.398 nan 8.190 nan 0.000 0.474 350 F N 0.365 120.013 119.950 -0.504 0.000 2.654 350 F HA 0.643 5.171 4.527 0.002 0.000 0.303 350 F C 0.967 176.399 175.800 -0.613 0.000 1.099 350 F CA -0.111 57.541 58.000 -0.580 0.000 1.270 350 F CB 0.326 38.838 39.000 -0.813 0.000 1.024 350 F HN 0.132 nan 8.300 nan 0.000 0.548 351 G N -0.529 108.101 108.800 -0.283 0.000 2.658 351 G HA2 0.405 4.366 3.960 0.002 0.000 0.292 351 G HA3 0.405 4.366 3.960 0.002 0.000 0.292 351 G C 0.649 175.547 174.900 -0.004 0.000 1.320 351 G CA -0.096 44.993 45.100 -0.017 0.000 0.933 351 G HN 0.030 nan 8.290 nan 0.000 0.476 352 T N -2.135 112.452 114.554 0.056 0.000 2.821 352 T HA -0.019 4.332 4.350 0.002 0.000 0.267 352 T C 1.334 176.039 174.700 0.008 0.000 1.046 352 T CA 1.583 63.701 62.100 0.029 0.000 1.139 352 T CB -0.550 68.348 68.868 0.050 0.000 0.871 352 T HN 0.815 nan 8.240 nan 0.000 0.454 353 T N 1.114 115.682 114.554 0.024 0.000 2.749 353 T HA 0.583 4.934 4.350 0.002 0.000 0.287 353 T C -3.144 171.559 174.700 0.005 0.000 0.970 353 T CA -2.176 59.936 62.100 0.019 0.000 0.980 353 T CB 1.435 70.330 68.868 0.044 0.000 0.924 353 T HN -0.025 nan 8.240 nan 0.000 0.456 354 P HA 0.430 nan 4.420 nan 0.000 0.279 354 P C -0.384 176.992 177.300 0.127 0.000 1.239 354 P CA -0.659 62.429 63.100 -0.021 0.000 0.789 354 P CB 0.619 32.224 31.700 -0.158 0.000 0.933 355 R N 2.444 123.065 120.500 0.201 0.000 2.584 355 R HA 0.396 4.737 4.340 0.002 0.000 0.276 355 R C -1.007 175.379 176.300 0.143 0.000 1.046 355 R CA -0.737 55.462 56.100 0.165 0.000 0.906 355 R CB 1.705 32.054 30.300 0.083 0.000 1.215 355 R HN 0.512 nan 8.270 nan 0.000 0.449 356 K N 0.821 121.220 120.400 -0.002 0.000 2.395 356 K HA 0.490 4.811 4.320 0.002 0.000 0.247 356 K C -0.990 175.525 176.600 -0.142 0.000 0.973 356 K CA -0.844 55.343 56.287 -0.167 0.000 0.828 356 K CB 2.029 34.212 32.500 -0.529 0.000 1.272 356 K HN 0.232 nan 8.250 nan 0.000 0.439 357 T N 1.397 115.843 114.554 -0.179 0.000 2.780 357 T HA 0.042 4.393 4.350 0.002 0.000 0.294 357 T C -0.792 173.661 174.700 -0.412 0.000 0.949 357 T CA -0.160 61.757 62.100 -0.304 0.000 1.074 357 T CB 0.651 69.276 68.868 -0.404 0.000 0.910 357 T HN 0.522 nan 8.240 nan 0.000 0.501 358 D N 1.528 121.746 120.400 -0.303 0.000 2.365 358 D HA 0.094 4.735 4.640 0.002 0.000 0.237 358 D C 0.466 176.609 176.300 -0.261 0.000 1.190 358 D CA -0.249 53.631 54.000 -0.200 0.000 0.867 358 D CB 0.488 41.226 40.800 -0.104 0.000 1.050 358 D HN 0.568 nan 8.370 nan 0.000 0.491 359 H N 1.098 120.152 119.070 -0.027 0.000 2.533 359 H HA 0.133 4.690 4.556 0.002 0.000 0.271 359 H C 0.518 175.837 175.328 -0.016 0.000 1.000 359 H CA 0.255 56.291 56.048 -0.020 0.000 1.149 359 H CB 0.354 30.104 29.762 -0.020 0.000 1.375 359 H HN 0.300 nan 8.280 nan 0.000 0.582 360 T N -2.167 112.416 114.554 0.048 0.000 2.945 360 T HA 0.364 4.715 4.350 0.002 0.000 0.286 360 T C 0.496 175.202 174.700 0.009 0.000 1.025 360 T CA -1.104 61.017 62.100 0.035 0.000 1.039 360 T CB 1.815 70.703 68.868 0.033 0.000 1.068 360 T HN 0.337 nan 8.240 nan 0.000 0.497 361 R N -0.778 119.726 120.500 0.008 0.000 3.641 361 R HA -0.102 4.239 4.340 0.002 0.000 0.286 361 R C -0.509 175.784 176.300 -0.012 0.000 1.153 361 R CA 0.342 56.439 56.100 -0.005 0.000 0.775 361 R CB -2.462 27.836 30.300 -0.004 0.000 1.215 361 R HN 0.571 nan 8.270 nan 0.000 0.474 362 V N 1.007 120.915 119.914 -0.009 0.000 2.488 362 V HA 0.458 4.579 4.120 0.002 0.000 0.277 362 V C 1.133 177.215 176.094 -0.020 0.000 1.046 362 V CA 0.114 62.407 62.300 -0.013 0.000 0.986 362 V CB 1.409 33.231 31.823 -0.001 0.000 0.989 362 V HN 0.371 nan 8.190 nan 0.000 0.475 363 A N 4.913 127.721 122.820 -0.020 0.000 2.322 363 A HA 0.824 5.145 4.320 0.002 0.000 0.269 363 A C 0.359 177.928 177.584 -0.025 0.000 1.094 363 A CA 0.048 52.070 52.037 -0.025 0.000 0.807 363 A CB 0.643 19.630 19.000 -0.021 0.000 1.047 363 A HN 1.193 nan 8.150 nan 0.000 0.487 364 S N -0.577 115.103 115.700 -0.032 0.000 2.615 364 S HA 0.868 5.339 4.470 0.002 0.000 0.269 364 S C -0.594 173.963 174.600 -0.073 0.000 1.161 364 S CA -0.155 58.018 58.200 -0.046 0.000 0.817 364 S CB 1.296 64.465 63.200 -0.051 0.000 1.131 364 S HN 2.263 nan 8.310 nan 0.000 0.467 365 A N 0.205 122.938 122.820 -0.145 0.000 2.527 365 A HA 0.877 5.198 4.320 0.002 0.000 0.293 365 A C -1.446 175.933 177.584 -0.342 0.000 1.117 365 A CA -0.899 50.957 52.037 -0.301 0.000 0.723 365 A CB 1.688 20.347 19.000 -0.569 0.000 1.313 365 A HN 1.301 nan 8.150 nan 0.000 0.411 366 V N 0.947 120.619 119.914 -0.403 0.000 2.409 366 V HA 0.323 4.444 4.120 0.002 0.000 0.290 366 V C -1.175 174.718 176.094 -0.335 0.000 1.017 366 V CA -0.041 62.098 62.300 -0.268 0.000 0.841 366 V CB 0.790 32.454 31.823 -0.266 0.000 1.003 366 V HN 0.708 nan 8.190 nan 0.000 0.426 367 F N 3.538 123.472 119.950 -0.026 0.000 2.669 367 F HA 0.248 4.776 4.527 0.002 0.000 0.353 367 F C 1.438 177.200 175.800 -0.063 0.000 1.192 367 F CA -0.163 57.810 58.000 -0.045 0.000 1.317 367 F CB -0.029 38.945 39.000 -0.043 0.000 1.652 367 F HN 0.548 nan 8.300 nan 0.000 0.608 368 S N -0.027 115.674 115.700 0.001 0.000 2.713 368 S HA 0.703 5.174 4.470 0.002 0.000 0.277 368 S C -0.270 174.317 174.600 -0.023 0.000 1.168 368 S CA -0.816 57.370 58.200 -0.024 0.000 0.994 368 S CB 1.718 64.875 63.200 -0.072 0.000 1.054 368 S HN 0.242 nan 8.310 nan 0.000 0.555 369 I N 1.839 122.393 120.570 -0.028 0.000 2.390 369 I HA 0.359 4.531 4.170 0.002 0.000 0.283 369 I C -2.604 173.494 176.117 -0.031 0.000 1.016 369 I CA -2.147 59.136 61.300 -0.028 0.000 1.151 369 I CB 1.545 39.531 38.000 -0.023 0.000 1.293 369 I HN 0.417 nan 8.210 nan 0.000 0.458 370 P HA 0.299 nan 4.420 nan 0.000 0.276 370 P C -2.492 174.754 177.300 -0.089 0.000 1.244 370 P CA -1.316 61.745 63.100 -0.065 0.000 0.801 370 P CB 0.153 31.802 31.700 -0.085 0.000 1.006 371 P HA 0.267 nan 4.420 nan 0.000 0.276 371 P C -0.656 176.522 177.300 -0.203 0.000 1.261 371 P CA 0.094 63.100 63.100 -0.158 0.000 0.800 371 P CB 0.994 32.595 31.700 -0.166 0.000 1.066 372 I N -0.474 119.947 120.570 -0.247 0.000 2.569 372 I HA 0.564 4.735 4.170 0.002 0.000 0.296 372 I C 0.407 176.408 176.117 -0.193 0.000 1.028 372 I CA -0.686 60.494 61.300 -0.201 0.000 1.082 372 I CB 2.333 40.223 38.000 -0.183 0.000 1.264 372 I HN 0.403 nan 8.210 nan 0.000 0.429 373 G N 2.223 110.958 108.800 -0.109 0.000 2.643 373 G HA2 0.616 4.577 3.960 0.002 0.000 0.305 373 G HA3 0.616 4.577 3.960 0.002 0.000 0.305 373 G C -1.281 173.618 174.900 -0.002 0.000 1.387 373 G CA -0.336 44.717 45.100 -0.078 0.000 0.982 373 G HN 0.479 nan 8.290 nan 0.000 0.501 374 T N -0.559 114.003 114.554 0.014 0.000 2.894 374 T HA 0.589 4.940 4.350 0.002 0.000 0.309 374 T C -1.559 173.116 174.700 -0.041 0.000 1.208 374 T CA -0.445 61.669 62.100 0.023 0.000 1.016 374 T CB 1.603 70.584 68.868 0.188 0.000 1.192 374 T HN 1.134 nan 8.240 nan 0.000 0.491 375 C N 2.800 122.026 119.300 -0.123 0.000 2.891 375 C HA 0.882 5.343 4.460 0.002 0.000 0.342 375 C C 0.513 175.422 174.990 -0.134 0.000 1.126 375 C CA 1.136 60.097 59.018 -0.096 0.000 1.322 375 C CB 0.186 27.885 27.740 -0.068 0.000 1.763 375 C HN 1.755 nan 8.230 nan 0.000 0.491 376 G N 4.367 113.131 108.800 -0.060 0.000 2.698 376 G HA2 0.069 4.030 3.960 0.002 0.000 0.225 376 G HA3 0.069 4.030 3.960 0.002 0.000 0.225 376 G C -1.326 173.601 174.900 0.046 0.000 1.345 376 G CA -0.439 44.642 45.100 -0.031 0.000 0.871 376 G HN 1.044 nan 8.290 nan 0.000 0.540 377 L N 0.589 121.857 121.223 0.074 0.000 2.452 377 L HA 0.590 4.931 4.340 0.002 0.000 0.267 377 L C 1.440 178.440 176.870 0.216 0.000 1.188 377 L CA -0.258 54.650 54.840 0.113 0.000 0.821 377 L CB 0.731 42.843 42.059 0.089 0.000 1.102 377 L HN 0.755 nan 8.230 nan 0.000 0.470 378 I N -1.236 119.391 120.570 0.095 0.000 2.566 378 I HA 0.336 4.507 4.170 0.002 0.000 0.303 378 I C 1.218 177.348 176.117 0.021 0.000 0.983 378 I CA -0.664 60.625 61.300 -0.018 0.000 1.235 378 I CB 1.117 39.041 38.000 -0.126 0.000 1.386 378 I HN 0.850 nan 8.210 nan 0.000 0.494 379 E N 2.555 122.775 120.200 0.033 0.000 2.209 379 E HA -0.262 4.089 4.350 0.002 0.000 0.196 379 E C 1.080 177.591 176.600 -0.147 0.000 0.993 379 E CA 1.693 58.092 56.400 -0.001 0.000 0.819 379 E CB -0.193 29.589 29.700 0.136 0.000 0.745 379 E HN 0.818 nan 8.360 nan 0.000 0.477 380 E N 0.877 121.019 120.200 -0.096 0.000 2.118 380 E HA -0.127 4.224 4.350 0.002 0.000 0.195 380 E C 2.093 178.637 176.600 -0.093 0.000 0.992 380 E CA 1.280 57.606 56.400 -0.124 0.000 0.804 380 E CB -0.076 29.587 29.700 -0.061 0.000 0.741 380 E HN 0.181 nan 8.360 nan 0.000 0.458 381 V N 0.441 120.330 119.914 -0.041 0.000 2.331 381 V HA -0.119 4.002 4.120 0.002 0.000 0.242 381 V C 2.174 178.292 176.094 0.040 0.000 1.034 381 V CA 1.478 63.776 62.300 -0.002 0.000 1.027 381 V CB -0.795 31.038 31.823 0.017 0.000 0.667 381 V HN 0.335 nan 8.190 nan 0.000 0.457 382 A N 1.099 123.964 122.820 0.075 0.000 1.917 382 A HA -0.253 4.068 4.320 0.002 0.000 0.219 382 A C 2.446 180.151 177.584 0.202 0.000 1.182 382 A CA 2.563 54.717 52.037 0.196 0.000 0.633 382 A CB -0.860 18.197 19.000 0.094 0.000 0.819 382 A HN 0.705 nan 8.150 nan 0.000 0.448 383 S N -1.004 114.696 115.700 0.000 0.000 2.515 383 S HA -0.040 4.431 4.470 0.002 0.000 0.231 383 S C 1.525 176.133 174.600 0.015 0.000 0.987 383 S CA 1.089 59.277 58.200 -0.021 0.000 0.936 383 S CB -0.027 62.980 63.200 -0.323 0.000 0.766 383 S HN 0.485 nan 8.310 nan 0.000 0.528 384 K N 1.524 121.925 120.400 0.002 0.000 2.284 384 K HA 0.236 4.558 4.320 0.002 0.000 0.198 384 K C 1.867 178.448 176.600 -0.032 0.000 1.048 384 K CA 0.464 56.743 56.287 -0.013 0.000 0.987 384 K CB -0.173 32.312 32.500 -0.025 0.000 0.800 384 K HN 0.436 nan 8.250 nan 0.000 0.486 385 R N -0.484 119.995 120.500 -0.035 0.000 2.280 385 R HA 0.135 4.476 4.340 0.002 0.000 0.195 385 R C -0.076 175.909 176.300 -0.524 0.000 0.935 385 R CA 0.267 56.214 56.100 -0.254 0.000 1.033 385 R CB 0.307 30.428 30.300 -0.298 0.000 0.964 385 R HN 0.063 nan 8.270 nan 0.000 0.489 386 Y N -0.666 119.648 120.300 0.024 0.000 2.512 386 Y HA 0.164 4.715 4.550 0.002 0.000 0.348 386 Y C 1.014 176.950 175.900 0.061 0.000 0.990 386 Y CA -1.079 57.048 58.100 0.045 0.000 1.033 386 Y CB 1.821 40.316 38.460 0.059 0.000 1.259 386 Y HN -0.194 nan 8.280 nan 0.000 0.461 387 E N 0.871 121.192 120.200 0.202 0.000 2.112 387 E HA 0.060 4.411 4.350 0.002 0.000 0.190 387 E C -0.705 176.012 176.600 0.194 0.000 0.979 387 E CA 0.788 57.282 56.400 0.156 0.000 0.814 387 E CB 0.438 30.204 29.700 0.109 0.000 0.762 387 E HN 0.366 nan 8.360 nan 0.000 0.460 388 V N 2.131 122.183 119.914 0.231 0.000 2.349 388 V HA 0.312 4.433 4.120 0.002 0.000 0.284 388 V C -0.581 175.681 176.094 0.281 0.000 1.014 388 V CA -0.745 61.708 62.300 0.254 0.000 0.826 388 V CB 1.558 33.533 31.823 0.253 0.000 1.009 388 V HN -0.062 nan 8.190 nan 0.000 0.431 389 V N 3.764 123.851 119.914 0.288 0.000 2.555 389 V HA 0.870 4.991 4.120 0.002 0.000 0.302 389 V C 0.307 176.503 176.094 0.169 0.000 1.038 389 V CA -0.413 62.024 62.300 0.228 0.000 0.887 389 V CB 2.053 34.027 31.823 0.253 0.000 0.991 389 V HN 0.956 nan 8.190 nan 0.000 0.434 390 A N 4.437 127.272 122.820 0.025 0.000 2.330 390 A HA 0.870 5.191 4.320 0.002 0.000 0.327 390 A C -0.986 176.410 177.584 -0.314 0.000 1.155 390 A CA -0.534 51.301 52.037 -0.336 0.000 0.803 390 A CB 1.619 20.419 19.000 -0.333 0.000 1.208 390 A HN 0.648 nan 8.150 nan 0.000 0.477 391 V N 2.844 122.356 119.914 -0.670 0.000 2.487 391 V HA 0.371 4.492 4.120 0.002 0.000 0.298 391 V C -1.462 174.272 176.094 -0.600 0.000 1.028 391 V CA -0.354 61.630 62.300 -0.526 0.000 0.860 391 V CB 1.092 32.402 31.823 -0.856 0.000 0.991 391 V HN 0.752 nan 8.190 nan 0.000 0.427 392 Y N 5.384 125.523 120.300 -0.268 0.000 2.342 392 Y HA 0.709 5.259 4.550 0.001 0.000 0.338 392 Y C -0.201 175.656 175.900 -0.072 0.000 0.965 392 Y CA -0.801 57.202 58.100 -0.162 0.000 1.159 392 Y CB 1.606 40.005 38.460 -0.103 0.000 1.157 392 Y HN 0.523 nan 8.280 nan 0.000 0.486 393 L N 2.340 123.609 121.223 0.077 0.000 2.354 393 L HA 0.814 5.155 4.340 0.002 0.000 0.269 393 L C -0.638 176.320 176.870 0.148 0.000 1.005 393 L CA -0.329 54.580 54.840 0.115 0.000 0.819 393 L CB 2.288 44.410 42.059 0.105 0.000 1.311 393 L HN 0.489 nan 8.230 nan 0.000 0.423 394 S N 2.065 117.885 115.700 0.199 0.000 2.677 394 S HA 0.810 5.281 4.470 0.002 0.000 0.283 394 S C -1.448 173.368 174.600 0.360 0.000 1.159 394 S CA -0.405 57.956 58.200 0.269 0.000 1.001 394 S CB 0.952 64.326 63.200 0.290 0.000 1.032 394 S HN 0.704 nan 8.310 nan 0.000 0.487 395 S N 4.084 119.990 115.700 0.343 0.000 2.521 395 S HA 0.921 5.392 4.470 0.002 0.000 0.295 395 S C -1.174 173.660 174.600 0.391 0.000 1.098 395 S CA -0.674 57.689 58.200 0.271 0.000 0.999 395 S CB 0.968 64.253 63.200 0.142 0.000 1.034 395 S HN 0.759 nan 8.310 nan 0.000 0.483 396 F N -1.626 118.417 119.950 0.155 0.000 2.708 396 F HA 0.546 5.073 4.527 0.001 0.000 0.309 396 F C -0.933 174.950 175.800 0.138 0.000 1.120 396 F CA -0.942 57.129 58.000 0.118 0.000 0.978 396 F CB 0.339 39.392 39.000 0.087 0.000 1.283 396 F HN 0.295 nan 8.300 nan 0.000 0.439 397 T N 3.576 118.218 114.554 0.148 0.000 2.729 397 T HA 0.450 4.801 4.350 0.002 0.000 0.296 397 T C -2.490 172.330 174.700 0.200 0.000 0.928 397 T CA -0.910 61.244 62.100 0.089 0.000 1.045 397 T CB 0.744 69.673 68.868 0.102 0.000 0.902 397 T HN 0.355 nan 8.240 nan 0.000 0.500 398 P HA 0.052 nan 4.420 nan 0.000 0.270 398 P C 1.095 178.479 177.300 0.140 0.000 1.227 398 P CA -0.548 62.672 63.100 0.201 0.000 0.788 398 P CB 0.495 32.258 31.700 0.104 0.000 0.926 399 L N 2.696 123.980 121.223 0.102 0.000 1.971 399 L HA -0.214 4.127 4.340 0.002 0.000 0.215 399 L C 2.192 179.094 176.870 0.053 0.000 1.072 399 L CA 2.159 57.040 54.840 0.067 0.000 0.758 399 L CB -1.286 40.797 42.059 0.040 0.000 0.889 399 L HN 0.482 nan 8.230 nan 0.000 0.433 400 M N -2.605 117.001 119.600 0.011 0.000 2.267 400 M HA -0.190 4.291 4.480 0.002 0.000 0.263 400 M C 1.672 177.976 176.300 0.007 0.000 1.063 400 M CA 1.788 57.121 55.300 0.054 0.000 1.090 400 M CB -0.863 31.715 32.600 -0.036 0.000 1.392 400 M HN 0.229 nan 8.290 nan 0.000 0.422 401 H N 1.089 120.215 119.070 0.092 0.000 2.551 401 H HA 0.164 4.720 4.556 0.001 0.000 0.266 401 H C 1.644 176.979 175.328 0.011 0.000 0.977 401 H CA 0.657 56.726 56.048 0.035 0.000 1.163 401 H CB -0.066 29.681 29.762 -0.024 0.000 1.381 401 H HN 0.482 nan 8.280 nan 0.000 0.581 402 K N 0.705 121.176 120.400 0.118 0.000 2.031 402 K HA -0.053 4.268 4.320 0.002 0.000 0.205 402 K C 2.133 178.740 176.600 0.013 0.000 1.049 402 K CA 1.342 57.667 56.287 0.062 0.000 0.939 402 K CB -0.323 32.205 32.500 0.047 0.000 0.717 402 K HN 0.300 nan 8.250 nan 0.000 0.438 403 V N -0.488 119.403 119.914 -0.039 0.000 2.788 403 V HA -0.060 4.061 4.120 0.002 0.000 0.251 403 V C 2.257 178.224 176.094 -0.212 0.000 1.068 403 V CA 1.602 63.788 62.300 -0.190 0.000 1.090 403 V CB -0.430 31.164 31.823 -0.382 0.000 0.710 403 V HN 0.215 nan 8.190 nan 0.000 0.467 404 S N 0.562 116.260 115.700 -0.002 0.000 2.453 404 S HA 0.276 4.747 4.470 0.002 0.000 0.231 404 S C 1.915 176.586 174.600 0.119 0.000 1.005 404 S CA 1.368 59.662 58.200 0.155 0.000 0.949 404 S CB 0.054 63.491 63.200 0.394 0.000 0.774 404 S HN 1.704 nan 8.310 nan 0.000 0.510 405 G N 0.452 109.301 108.800 0.082 0.000 2.259 405 G HA2 -0.220 3.741 3.960 0.002 0.000 0.217 405 G HA3 -0.220 3.741 3.960 0.002 0.000 0.217 405 G C 0.445 175.388 174.900 0.073 0.000 1.001 405 G CA 0.016 45.159 45.100 0.071 0.000 0.627 405 G HN 0.729 nan 8.290 nan 0.000 0.501 406 S N 1.615 117.328 115.700 0.022 0.000 3.811 406 S HA 0.288 4.760 4.470 0.002 0.000 0.205 406 S C 1.367 175.748 174.600 -0.366 0.000 1.445 406 S CA 0.229 58.286 58.200 -0.238 0.000 1.097 406 S CB 0.572 63.494 63.200 -0.464 0.000 1.350 406 S HN 0.533 nan 8.310 nan 0.000 0.471 407 K N 0.628 120.982 120.400 -0.076 0.000 2.442 407 K HA -0.147 4.174 4.320 0.002 0.000 0.198 407 K C 1.273 177.852 176.600 -0.035 0.000 1.044 407 K CA 1.118 57.391 56.287 -0.023 0.000 0.948 407 K CB -0.242 32.292 32.500 0.057 0.000 0.762 407 K HN 0.818 nan 8.250 nan 0.000 0.472 408 Y N -0.107 120.164 120.300 -0.049 0.000 2.544 408 Y HA 0.139 4.690 4.550 0.001 0.000 0.286 408 Y C 0.115 175.961 175.900 -0.089 0.000 1.141 408 Y CA -0.270 57.797 58.100 -0.055 0.000 1.299 408 Y CB -0.316 38.113 38.460 -0.051 0.000 1.030 408 Y HN -0.271 nan 8.280 nan 0.000 0.543 409 K N 2.672 122.690 120.400 -0.637 0.000 2.083 409 K HA 0.122 4.443 4.320 0.002 0.000 0.246 409 K C -0.398 176.066 176.600 -0.226 0.000 1.160 409 K CA 0.145 56.133 56.287 -0.498 0.000 1.060 409 K CB -0.234 31.751 32.500 -0.858 0.000 1.417 409 K HN 0.178 nan 8.250 nan 0.000 0.329 410 T N 2.595 117.073 114.554 -0.127 0.000 2.832 410 T HA 0.117 4.468 4.350 0.002 0.000 0.296 410 T C -0.297 174.314 174.700 -0.149 0.000 0.968 410 T CA -0.307 61.733 62.100 -0.102 0.000 1.107 410 T CB 0.216 69.053 68.868 -0.052 0.000 0.916 410 T HN 0.228 nan 8.240 nan 0.000 0.517 411 F N 4.313 124.003 119.950 -0.434 0.000 2.404 411 F HA 0.537 5.065 4.527 0.001 0.000 0.345 411 F C -0.516 175.040 175.800 -0.407 0.000 1.110 411 F CA -0.686 57.005 58.000 -0.515 0.000 1.130 411 F CB 0.681 39.108 39.000 -0.955 0.000 1.129 411 F HN 0.229 nan 8.300 nan 0.000 0.500 412 V N 5.355 125.027 119.914 -0.402 0.000 2.540 412 V HA 0.798 4.919 4.120 0.002 0.000 0.302 412 V C -0.575 175.488 176.094 -0.052 0.000 1.035 412 V CA -0.772 61.467 62.300 -0.101 0.000 0.873 412 V CB 1.340 33.093 31.823 -0.116 0.000 0.992 412 V HN 0.976 nan 8.190 nan 0.000 0.428 413 A N 4.597 127.550 122.820 0.221 0.000 2.359 413 A HA 0.848 5.169 4.320 0.002 0.000 0.303 413 A C -0.717 176.986 177.584 0.199 0.000 1.066 413 A CA -0.697 51.500 52.037 0.266 0.000 0.730 413 A CB 1.413 20.692 19.000 0.466 0.000 1.211 413 A HN 0.772 nan 8.150 nan 0.000 0.439 414 K N 3.150 123.649 120.400 0.164 0.000 2.443 414 K HA 0.724 5.045 4.320 0.002 0.000 0.252 414 K C -1.819 174.863 176.600 0.137 0.000 0.933 414 K CA -0.484 55.899 56.287 0.159 0.000 0.792 414 K CB 1.290 33.889 32.500 0.164 0.000 1.185 414 K HN 0.671 nan 8.250 nan 0.000 0.425 415 I N 5.541 126.171 120.570 0.100 0.000 2.436 415 I HA 0.354 4.525 4.170 0.002 0.000 0.289 415 I C -0.534 175.617 176.117 0.056 0.000 1.010 415 I CA -1.120 60.172 61.300 -0.013 0.000 1.098 415 I CB 1.659 39.536 38.000 -0.203 0.000 1.266 415 I HN 0.462 nan 8.210 nan 0.000 0.434 416 I N 5.396 125.976 120.570 0.017 0.000 2.354 416 I HA 0.433 4.604 4.170 0.002 0.000 0.292 416 I C 0.370 176.465 176.117 -0.036 0.000 0.989 416 I CA -0.235 61.090 61.300 0.042 0.000 1.188 416 I CB 1.353 39.400 38.000 0.078 0.000 1.342 416 I HN 0.597 nan 8.210 nan 0.000 0.457 417 T N 1.799 116.359 114.554 0.011 0.000 2.901 417 T HA 0.392 4.743 4.350 0.002 0.000 0.293 417 T C -0.324 174.349 174.700 -0.045 0.000 1.084 417 T CA -0.894 61.178 62.100 -0.046 0.000 1.008 417 T CB 2.200 71.078 68.868 0.016 0.000 1.170 417 T HN 0.391 nan 8.240 nan 0.000 0.509 418 N N 0.269 118.894 118.700 -0.125 0.000 2.482 418 N HA 0.125 4.866 4.740 0.002 0.000 0.242 418 N C 0.609 176.157 175.510 0.064 0.000 1.100 418 N CA -0.208 52.762 53.050 -0.133 0.000 0.946 418 N CB 0.205 38.529 38.487 -0.272 0.000 1.227 418 N HN 0.848 nan 8.380 nan 0.000 0.508 419 H N 2.007 121.109 119.070 0.054 0.000 2.518 419 H HA 0.006 4.563 4.556 0.002 0.000 0.292 419 H C 1.067 176.452 175.328 0.094 0.000 1.068 419 H CA 1.593 57.711 56.048 0.116 0.000 1.275 419 H CB 0.441 30.322 29.762 0.199 0.000 1.375 419 H HN 0.479 nan 8.280 nan 0.000 0.563 420 S N -0.465 115.251 115.700 0.028 0.000 2.428 420 S HA -0.083 4.388 4.470 0.002 0.000 0.230 420 S C 1.046 175.615 174.600 -0.051 0.000 1.014 420 S CA 1.174 59.355 58.200 -0.032 0.000 0.957 420 S CB 0.142 63.370 63.200 0.046 0.000 0.784 420 S HN 0.823 nan 8.310 nan 0.000 0.499 421 D N -1.819 118.566 120.400 -0.026 0.000 2.510 421 D HA 0.260 4.901 4.640 0.002 0.000 0.234 421 D C 1.079 177.364 176.300 -0.024 0.000 1.178 421 D CA 0.646 54.631 54.000 -0.024 0.000 0.816 421 D CB -0.410 40.387 40.800 -0.005 0.000 1.143 421 D HN 0.298 nan 8.370 nan 0.000 0.526 422 G N 0.225 109.019 108.800 -0.010 0.000 2.176 422 G HA2 -0.269 3.692 3.960 0.002 0.000 0.253 422 G HA3 -0.269 3.692 3.960 0.002 0.000 0.253 422 G C 0.381 175.239 174.900 -0.069 0.000 0.979 422 G CA 0.314 45.411 45.100 -0.004 0.000 0.641 422 G HN 0.425 nan 8.290 nan 0.000 0.530 423 T N 1.312 115.822 114.554 -0.072 0.000 2.902 423 T HA 0.374 4.725 4.350 0.002 0.000 0.301 423 T C 0.861 175.469 174.700 -0.154 0.000 1.012 423 T CA 0.105 62.144 62.100 -0.102 0.000 1.151 423 T CB 1.888 70.710 68.868 -0.076 0.000 0.946 423 T HN 0.468 nan 8.240 nan 0.000 0.542 424 V N 6.255 126.054 119.914 -0.192 0.000 2.415 424 V HA 0.070 4.191 4.120 0.002 0.000 0.267 424 V C 1.370 177.365 176.094 -0.165 0.000 1.042 424 V CA 0.186 62.337 62.300 -0.248 0.000 1.000 424 V CB 0.166 31.758 31.823 -0.385 0.000 1.015 424 V HN 0.830 nan 8.190 nan 0.000 0.478 425 L N 4.174 125.300 121.223 -0.160 0.000 2.307 425 L HA 0.406 4.747 4.340 0.002 0.000 0.211 425 L C 1.086 177.912 176.870 -0.072 0.000 1.099 425 L CA 0.854 55.621 54.840 -0.122 0.000 0.816 425 L CB 0.017 41.974 42.059 -0.170 0.000 0.952 425 L HN 0.790 nan 8.230 nan 0.000 0.455 426 G N -0.766 107.976 108.800 -0.096 0.000 2.616 426 G HA2 0.497 4.458 3.960 0.002 0.000 0.294 426 G HA3 0.497 4.458 3.960 0.002 0.000 0.294 426 G C -1.935 172.791 174.900 -0.290 0.000 1.489 426 G CA -0.358 44.646 45.100 -0.160 0.000 0.836 426 G HN -0.294 nan 8.290 nan 0.000 0.527 427 V N 2.588 122.209 119.914 -0.487 0.000 2.525 427 V HA 0.581 4.702 4.120 0.002 0.000 0.299 427 V C -1.024 174.703 176.094 -0.610 0.000 1.034 427 V CA -0.904 61.177 62.300 -0.365 0.000 0.863 427 V CB 1.673 33.443 31.823 -0.087 0.000 0.999 427 V HN 0.806 nan 8.190 nan 0.000 0.423 428 H N 5.514 124.605 119.070 0.035 0.000 2.609 428 H HA 0.709 5.265 4.556 0.001 0.000 0.344 428 H C -1.078 174.249 175.328 -0.000 0.000 1.040 428 H CA -0.515 55.545 56.048 0.021 0.000 1.216 428 H CB 2.446 32.222 29.762 0.023 0.000 1.529 428 H HN 0.431 nan 8.280 nan 0.000 0.519 429 L N 3.135 124.382 121.223 0.040 0.000 2.388 429 L HA 0.454 4.795 4.340 0.002 0.000 0.264 429 L C -0.961 175.773 176.870 -0.227 0.000 0.998 429 L CA -1.079 53.699 54.840 -0.104 0.000 0.817 429 L CB 2.745 44.768 42.059 -0.061 0.000 1.338 429 L HN 0.252 nan 8.230 nan 0.000 0.414 430 L N 1.792 122.733 121.223 -0.470 0.000 2.439 430 L HA 0.971 5.312 4.340 0.002 0.000 0.270 430 L C -0.384 176.018 176.870 -0.781 0.000 0.972 430 L CA 0.302 54.869 54.840 -0.455 0.000 0.836 430 L CB 1.727 43.599 42.059 -0.312 0.000 1.255 430 L HN 0.733 nan 8.230 nan 0.000 0.404 431 G N 2.730 111.229 108.800 -0.500 0.000 2.345 431 G HA2 0.106 4.067 3.960 0.002 0.000 0.310 431 G HA3 0.106 4.067 3.960 0.002 0.000 0.310 431 G C -1.813 173.076 174.900 -0.019 0.000 1.476 431 G CA -1.006 43.903 45.100 -0.319 0.000 0.978 431 G HN 0.540 nan 8.290 nan 0.000 0.656 432 D N 0.181 120.665 120.400 0.141 0.000 2.525 432 D HA 0.108 4.749 4.640 0.002 0.000 0.235 432 D C 1.176 177.579 176.300 0.172 0.000 1.137 432 D CA 1.311 55.395 54.000 0.140 0.000 0.868 432 D CB 0.337 41.239 40.800 0.169 0.000 1.180 432 D HN 0.660 nan 8.370 nan 0.000 0.465 433 N N 0.230 118.997 118.700 0.112 0.000 2.878 433 N HA -0.271 4.470 4.740 0.002 0.000 0.247 433 N C 0.964 176.531 175.510 0.094 0.000 1.021 433 N CA 0.638 53.751 53.050 0.105 0.000 0.873 433 N CB -0.802 37.749 38.487 0.106 0.000 1.128 433 N HN 0.494 nan 8.380 nan 0.000 0.571 434 A N 0.247 123.099 122.820 0.054 0.000 1.940 434 A HA -0.079 4.242 4.320 0.002 0.000 0.219 434 A C -0.336 177.227 177.584 -0.035 0.000 1.176 434 A CA 1.886 53.927 52.037 0.007 0.000 0.631 434 A CB -0.982 17.953 19.000 -0.108 0.000 0.814 434 A HN 0.305 nan 8.150 nan 0.000 0.446 435 P HA -0.125 nan 4.420 nan 0.000 0.217 435 P C 1.261 178.565 177.300 0.006 0.000 1.150 435 P CA 1.112 64.144 63.100 -0.113 0.000 0.832 435 P CB 0.028 31.593 31.700 -0.225 0.000 0.787 436 E N -0.646 119.583 120.200 0.048 0.000 2.107 436 E HA -0.063 4.288 4.350 0.002 0.000 0.191 436 E C 2.102 178.722 176.600 0.034 0.000 0.982 436 E CA 0.901 57.331 56.400 0.051 0.000 0.809 436 E CB -0.609 29.125 29.700 0.057 0.000 0.756 436 E HN 0.339 nan 8.360 nan 0.000 0.459 437 I N 0.633 121.230 120.570 0.045 0.000 2.252 437 I HA -0.224 3.947 4.170 0.002 0.000 0.245 437 I C 2.464 178.596 176.117 0.026 0.000 1.102 437 I CA 0.499 61.828 61.300 0.047 0.000 1.385 437 I CB -0.164 37.897 38.000 0.102 0.000 1.064 437 I HN 0.023 nan 8.210 nan 0.000 0.414 438 I N 0.983 121.564 120.570 0.019 0.000 2.361 438 I HA -0.308 3.863 4.170 0.002 0.000 0.251 438 I C 2.476 178.589 176.117 -0.006 0.000 1.133 438 I CA 1.511 62.813 61.300 0.003 0.000 1.413 438 I CB -0.362 37.629 38.000 -0.015 0.000 1.073 438 I HN 0.213 nan 8.210 nan 0.000 0.424 439 Q N 0.697 120.495 119.800 -0.003 0.000 2.045 439 Q HA -0.172 4.169 4.340 0.002 0.000 0.206 439 Q C 2.262 178.252 176.000 -0.017 0.000 0.991 439 Q CA 2.454 58.253 55.803 -0.007 0.000 0.851 439 Q CB -1.223 27.516 28.738 0.001 0.000 0.911 439 Q HN 0.507 nan 8.270 nan 0.000 0.418 440 G N 0.459 109.244 108.800 -0.025 0.000 2.442 440 G HA2 -0.223 3.738 3.960 0.002 0.000 0.219 440 G HA3 -0.223 3.738 3.960 0.002 0.000 0.219 440 G C 1.363 176.226 174.900 -0.062 0.000 1.141 440 G CA 1.165 46.237 45.100 -0.046 0.000 0.763 440 G HN 0.604 nan 8.290 nan 0.000 0.554 441 I N -0.668 119.873 120.570 -0.050 0.000 2.761 441 I HA 0.271 4.442 4.170 0.002 0.000 0.261 441 I C 2.430 178.547 176.117 0.000 0.000 1.198 441 I CA 1.020 62.297 61.300 -0.039 0.000 1.482 441 I CB -0.713 37.292 38.000 0.008 0.000 1.100 441 I HN -0.038 nan 8.210 nan 0.000 0.445 442 G N 1.813 110.608 108.800 -0.009 0.000 2.442 442 G HA2 -0.174 3.787 3.960 0.002 0.000 0.219 442 G HA3 -0.174 3.787 3.960 0.002 0.000 0.219 442 G C 1.662 176.557 174.900 -0.009 0.000 1.141 442 G CA 1.366 46.461 45.100 -0.009 0.000 0.763 442 G HN 0.539 nan 8.290 nan 0.000 0.554 443 I N 0.295 120.854 120.570 -0.018 0.000 2.252 443 I HA -0.176 3.995 4.170 0.002 0.000 0.245 443 I C 2.811 178.920 176.117 -0.014 0.000 1.102 443 I CA 0.479 61.768 61.300 -0.020 0.000 1.385 443 I CB -0.417 37.565 38.000 -0.030 0.000 1.064 443 I HN 0.172 nan 8.210 nan 0.000 0.414 444 C N 0.688 119.978 119.300 -0.016 0.000 2.401 444 C HA -0.183 4.279 4.460 0.002 0.000 0.276 444 C C 2.690 177.711 174.990 0.052 0.000 1.233 444 C CA 0.674 59.699 59.018 0.011 0.000 1.753 444 C CB -1.026 26.720 27.740 0.010 0.000 2.029 444 C HN 0.434 nan 8.230 nan 0.000 0.478 445 L N 0.661 121.914 121.223 0.050 0.000 2.141 445 L HA -0.074 4.267 4.340 0.002 0.000 0.209 445 L C 2.467 179.344 176.870 0.013 0.000 1.094 445 L CA 1.649 56.508 54.840 0.032 0.000 0.763 445 L CB -0.634 41.435 42.059 0.016 0.000 0.908 445 L HN 0.225 nan 8.230 nan 0.000 0.437 446 K N -0.334 120.070 120.400 0.005 0.000 2.288 446 K HA 0.054 4.375 4.320 0.002 0.000 0.201 446 K C 1.746 178.347 176.600 0.001 0.000 1.048 446 K CA 0.907 57.193 56.287 -0.001 0.000 0.956 446 K CB -0.182 32.313 32.500 -0.008 0.000 0.746 446 K HN 0.327 nan 8.250 nan 0.000 0.461 447 L N 0.554 121.779 121.223 0.004 0.000 2.611 447 L HA 0.071 4.412 4.340 0.002 0.000 0.229 447 L C -0.643 176.232 176.870 0.008 0.000 1.137 447 L CA -0.133 54.708 54.840 0.003 0.000 0.901 447 L CB -0.695 41.362 42.059 -0.003 0.000 1.098 447 L HN 0.241 nan 8.230 nan 0.000 0.456 448 N N 0.398 119.105 118.700 0.012 0.000 2.714 448 N HA -0.183 4.558 4.740 0.002 0.000 0.253 448 N C 0.160 175.676 175.510 0.010 0.000 1.024 448 N CA 0.357 53.411 53.050 0.008 0.000 0.726 448 N CB -0.682 37.807 38.487 0.004 0.000 0.908 448 N HN 0.443 nan 8.380 nan 0.000 0.542 449 A N 0.377 123.222 122.820 0.041 0.000 2.386 449 A HA 0.412 4.733 4.320 0.002 0.000 0.248 449 A C 0.661 178.244 177.584 -0.002 0.000 1.082 449 A CA 0.222 52.300 52.037 0.069 0.000 0.789 449 A CB 0.624 19.759 19.000 0.226 0.000 1.025 449 A HN 0.324 nan 8.150 nan 0.000 0.490 450 K N 0.489 120.868 120.400 -0.035 0.000 2.185 450 K HA 0.374 4.695 4.320 0.002 0.000 0.240 450 K C 0.826 177.289 176.600 -0.228 0.000 0.983 450 K CA -0.790 55.422 56.287 -0.125 0.000 0.873 450 K CB 1.400 33.843 32.500 -0.094 0.000 1.118 450 K HN 0.527 nan 8.250 nan 0.000 0.441 451 I N 1.651 122.022 120.570 -0.331 0.000 2.335 451 I HA -0.287 3.884 4.170 0.002 0.000 0.251 451 I C 1.911 177.696 176.117 -0.552 0.000 1.129 451 I CA 1.801 62.818 61.300 -0.473 0.000 1.402 451 I CB -0.239 37.505 38.000 -0.427 0.000 1.069 451 I HN 0.738 nan 8.210 nan 0.000 0.424 452 S N -0.724 114.627 115.700 -0.581 0.000 2.423 452 S HA -0.166 4.305 4.470 0.002 0.000 0.231 452 S C 1.734 175.988 174.600 -0.577 0.000 1.014 452 S CA 1.193 58.805 58.200 -0.980 0.000 0.965 452 S CB -0.700 62.244 63.200 -0.425 0.000 0.785 452 S HN 0.517 nan 8.310 nan 0.000 0.495 453 D N 0.600 120.866 120.400 -0.224 0.000 2.219 453 D HA 0.017 4.658 4.640 0.002 0.000 0.205 453 D C 1.322 177.633 176.300 0.018 0.000 0.970 453 D CA 0.851 54.816 54.000 -0.059 0.000 0.851 453 D CB -0.202 40.619 40.800 0.036 0.000 0.943 453 D HN 0.395 nan 8.370 nan 0.000 0.488 454 F N 0.933 120.726 119.950 -0.262 0.000 2.074 454 F HA -0.128 4.399 4.527 0.001 0.000 0.293 454 F C 2.281 178.025 175.800 -0.093 0.000 1.116 454 F CA 0.605 58.510 58.000 -0.158 0.000 1.212 454 F CB -1.391 37.526 39.000 -0.139 0.000 0.998 454 F HN 0.039 nan 8.300 nan 0.000 0.471 455 Y N -1.218 119.167 120.300 0.142 0.000 2.632 455 Y HA 0.116 4.668 4.550 0.003 0.000 0.301 455 Y C 1.300 177.219 175.900 0.031 0.000 1.172 455 Y CA 0.248 58.384 58.100 0.060 0.000 1.328 455 Y CB -1.612 36.869 38.460 0.035 0.000 1.016 455 Y HN 0.028 nan 8.280 nan 0.000 0.529 456 N N -0.036 118.693 118.700 0.048 0.000 2.280 456 N HA 0.032 4.773 4.740 0.002 0.000 0.192 456 N C -0.271 175.251 175.510 0.021 0.000 1.109 456 N CA 0.396 53.482 53.050 0.059 0.000 0.855 456 N CB 0.220 38.698 38.487 -0.015 0.000 0.974 456 N HN 0.241 nan 8.380 nan 0.000 0.482 457 T N 1.526 116.081 114.554 0.001 0.000 2.856 457 T HA 0.359 4.710 4.350 0.002 0.000 0.292 457 T C 0.808 175.502 174.700 -0.010 0.000 0.980 457 T CA -0.283 61.800 62.100 -0.029 0.000 1.091 457 T CB 1.342 70.161 68.868 -0.082 0.000 0.936 457 T HN -0.047 nan 8.240 nan 0.000 0.503 458 I N 2.602 123.162 120.570 -0.016 0.000 2.496 458 I HA 0.310 4.481 4.170 0.002 0.000 0.285 458 I C 1.357 177.463 176.117 -0.019 0.000 1.080 458 I CA -0.280 61.012 61.300 -0.013 0.000 1.404 458 I CB 0.635 38.627 38.000 -0.013 0.000 1.403 458 I HN 0.643 nan 8.210 nan 0.000 0.539 459 G N 5.170 113.960 108.800 -0.016 0.000 2.572 459 G HA2 0.432 4.393 3.960 0.002 0.000 0.261 459 G HA3 0.432 4.393 3.960 0.002 0.000 0.261 459 G C -0.471 174.433 174.900 0.008 0.000 1.197 459 G CA -0.429 44.664 45.100 -0.012 0.000 0.870 459 G HN 0.380 nan 8.290 nan 0.000 0.548 460 V N 1.401 121.324 119.914 0.015 0.000 2.406 460 V HA 0.317 4.438 4.120 0.002 0.000 0.272 460 V C -0.235 175.904 176.094 0.076 0.000 1.043 460 V CA -0.384 61.932 62.300 0.026 0.000 0.915 460 V CB 0.747 32.568 31.823 -0.003 0.000 0.988 460 V HN 0.861 nan 8.190 nan 0.000 0.466 461 H N 5.882 124.929 119.070 -0.037 0.000 2.589 461 H HA 0.737 5.293 4.556 0.001 0.000 0.351 461 H C -2.670 172.640 175.328 -0.031 0.000 1.074 461 H CA -1.719 54.306 56.048 -0.039 0.000 1.203 461 H CB 2.069 31.808 29.762 -0.039 0.000 1.558 461 H HN 0.542 nan 8.280 nan 0.000 0.522 462 P HA 0.375 nan 4.420 nan 0.000 0.296 462 P C -1.297 175.913 177.300 -0.150 0.000 1.306 462 P CA -0.602 62.249 63.100 -0.415 0.000 0.818 462 P CB 1.642 33.053 31.700 -0.482 0.000 0.969 463 T N -2.365 112.144 114.554 -0.076 0.000 2.792 463 T HA 0.353 4.704 4.350 0.002 0.000 0.303 463 T C 0.646 175.298 174.700 -0.081 0.000 1.310 463 T CA -0.561 61.501 62.100 -0.063 0.000 1.007 463 T CB 1.128 69.971 68.868 -0.042 0.000 1.335 463 T HN -0.025 nan 8.240 nan 0.000 0.504 464 S N 0.087 115.721 115.700 -0.111 0.000 2.395 464 S HA 0.128 4.599 4.470 0.002 0.000 0.225 464 S C 2.435 176.924 174.600 -0.186 0.000 1.027 464 S CA 0.814 58.861 58.200 -0.256 0.000 0.965 464 S CB -0.746 62.154 63.200 -0.499 0.000 0.812 464 S HN 0.922 nan 8.310 nan 0.000 0.482 465 A N 2.238 125.022 122.820 -0.060 0.000 2.024 465 A HA -0.192 4.129 4.320 0.002 0.000 0.220 465 A C 1.944 179.523 177.584 -0.008 0.000 1.164 465 A CA 1.667 53.708 52.037 0.007 0.000 0.643 465 A CB -0.638 18.368 19.000 0.010 0.000 0.806 465 A HN 0.766 nan 8.150 nan 0.000 0.451 466 E N -0.332 119.847 120.200 -0.035 0.000 2.338 466 E HA -0.191 4.160 4.350 0.002 0.000 0.197 466 E C 1.076 177.654 176.600 -0.038 0.000 1.007 466 E CA 0.978 57.360 56.400 -0.030 0.000 0.849 466 E CB -0.238 29.453 29.700 -0.016 0.000 0.774 466 E HN 0.503 nan 8.360 nan 0.000 0.506 467 E N 0.686 120.844 120.200 -0.070 0.000 2.265 467 E HA -0.130 4.221 4.350 0.002 0.000 0.196 467 E C 1.777 178.407 176.600 0.050 0.000 0.996 467 E CA 0.554 56.907 56.400 -0.078 0.000 0.832 467 E CB -0.051 29.562 29.700 -0.145 0.000 0.756 467 E HN 0.321 nan 8.360 nan 0.000 0.491 468 L N -0.457 120.825 121.223 0.099 0.000 2.376 468 L HA -0.083 4.258 4.340 0.002 0.000 0.219 468 L C 1.849 178.837 176.870 0.196 0.000 1.133 468 L CA 0.890 55.838 54.840 0.180 0.000 0.816 468 L CB -0.334 41.836 42.059 0.185 0.000 0.933 468 L HN 0.115 nan 8.230 nan 0.000 0.449 469 C N -1.997 117.364 119.300 0.103 0.000 2.906 469 C HA 0.212 4.673 4.460 0.002 0.000 0.274 469 C C 1.881 176.938 174.990 0.113 0.000 1.257 469 C CA -0.043 59.041 59.018 0.109 0.000 1.695 469 C CB -0.797 26.963 27.740 0.034 0.000 1.958 469 C HN 0.387 nan 8.230 nan 0.000 0.619 470 S N 0.134 115.880 115.700 0.077 0.000 2.629 470 S HA 0.316 4.787 4.470 0.002 0.000 0.236 470 S C 0.262 174.891 174.600 0.049 0.000 1.010 470 S CA -0.042 58.179 58.200 0.036 0.000 0.981 470 S CB -0.026 63.157 63.200 -0.028 0.000 0.919 470 S HN 0.533 nan 8.310 nan 0.000 0.514 471 M N 2.776 122.437 119.600 0.103 0.000 2.061 471 M HA 0.345 4.826 4.480 0.002 0.000 0.346 471 M C 0.964 177.352 176.300 0.147 0.000 1.112 471 M CA -0.162 55.214 55.300 0.127 0.000 1.021 471 M CB 0.898 33.580 32.600 0.137 0.000 1.530 471 M HN 0.205 nan 8.290 nan 0.000 0.437 472 R N -0.020 120.537 120.500 0.094 0.000 2.517 472 R HA 0.280 4.621 4.340 0.002 0.000 0.265 472 R C -0.449 175.950 176.300 0.165 0.000 0.921 472 R CA -0.158 55.922 56.100 -0.033 0.000 1.054 472 R CB 0.435 30.376 30.300 -0.597 0.000 1.340 472 R HN 0.355 nan 8.270 nan 0.000 0.551 473 T N 3.561 118.199 114.554 0.140 0.000 2.786 473 T HA 0.416 4.767 4.350 0.002 0.000 0.283 473 T C -2.685 171.852 174.700 -0.272 0.000 0.992 473 T CA -1.625 60.468 62.100 -0.012 0.000 0.954 473 T CB 2.293 71.141 68.868 -0.034 0.000 0.934 473 T HN -0.071 nan 8.240 nan 0.000 0.440 474 P HA 0.223 nan 4.420 nan 0.000 0.269 474 P C 0.402 177.327 177.300 -0.626 0.000 1.209 474 P CA -0.122 62.282 63.100 -1.161 0.000 0.776 474 P CB 0.592 31.410 31.700 -1.470 0.000 0.876 475 S N 0.741 116.110 115.700 -0.553 0.000 2.406 475 S HA 0.072 4.544 4.470 0.002 0.000 0.224 475 S C 0.160 174.703 174.600 -0.096 0.000 1.030 475 S CA 0.868 58.940 58.200 -0.213 0.000 0.958 475 S CB -0.486 62.682 63.200 -0.052 0.000 0.811 475 S HN 0.683 nan 8.310 nan 0.000 0.489 476 Y N -2.199 117.840 120.300 -0.434 0.000 2.713 476 Y HA 0.693 5.244 4.550 0.001 0.000 0.335 476 Y C -1.611 173.926 175.900 -0.606 0.000 1.222 476 Y CA -2.177 55.707 58.100 -0.360 0.000 1.061 476 Y CB 0.387 38.705 38.460 -0.237 0.000 1.314 476 Y HN -0.096 nan 8.280 nan 0.000 0.453 477 Y N -0.606 119.606 120.300 -0.147 0.000 2.693 477 Y HA 0.709 5.260 4.550 0.001 0.000 0.331 477 Y C -1.435 174.333 175.900 -0.220 0.000 1.092 477 Y CA -1.800 56.182 58.100 -0.197 0.000 1.131 477 Y CB 1.595 39.959 38.460 -0.159 0.000 1.318 477 Y HN 0.586 nan 8.280 nan 0.000 0.510 478 Y N 0.135 120.577 120.300 0.236 0.000 2.349 478 Y HA 0.534 5.085 4.550 0.002 0.000 0.324 478 Y C -1.029 174.964 175.900 0.154 0.000 1.005 478 Y CA -1.145 57.062 58.100 0.179 0.000 1.240 478 Y CB 1.584 40.135 38.460 0.151 0.000 1.117 478 Y HN 0.210 nan 8.280 nan 0.000 0.463 479 V N 4.915 124.980 119.914 0.252 0.000 2.311 479 V HA 0.270 4.391 4.120 0.002 0.000 0.275 479 V C 0.183 176.369 176.094 0.153 0.000 1.022 479 V CA -1.337 61.066 62.300 0.171 0.000 0.830 479 V CB 1.083 32.965 31.823 0.098 0.000 1.012 479 V HN 0.686 nan 8.190 nan 0.000 0.452 480 K N 4.126 124.612 120.400 0.142 0.000 3.148 480 K HA -0.246 4.075 4.320 0.002 0.000 0.267 480 K C 1.224 177.891 176.600 0.110 0.000 0.996 480 K CA 0.815 57.165 56.287 0.105 0.000 0.737 480 K CB -1.361 31.184 32.500 0.074 0.000 1.308 480 K HN 1.598 nan 8.250 nan 0.000 0.470 481 G N -0.399 108.489 108.800 0.146 0.000 2.245 481 G HA2 -0.337 3.624 3.960 0.002 0.000 0.264 481 G HA3 -0.337 3.624 3.960 0.002 0.000 0.264 481 G C -0.035 175.003 174.900 0.230 0.000 0.985 481 G CA 0.888 46.069 45.100 0.136 0.000 0.625 481 G HN 0.523 nan 8.290 nan 0.000 0.536 482 E N 0.487 120.819 120.200 0.220 0.000 2.266 482 E HA 0.481 4.832 4.350 0.002 0.000 0.277 482 E C 0.186 176.908 176.600 0.204 0.000 1.018 482 E CA -0.636 55.874 56.400 0.184 0.000 0.840 482 E CB 1.315 31.075 29.700 0.101 0.000 1.082 482 E HN 0.296 nan 8.360 nan 0.000 0.395 483 K N 3.481 123.941 120.400 0.099 0.000 2.234 483 K HA 0.337 4.658 4.320 0.002 0.000 0.282 483 K C -0.828 175.744 176.600 -0.046 0.000 1.039 483 K CA 0.035 56.255 56.287 -0.112 0.000 0.928 483 K CB 0.576 32.946 32.500 -0.216 0.000 1.039 483 K HN 0.494 nan 8.250 nan 0.000 0.470 484 M N 2.697 122.288 119.600 -0.015 0.000 2.531 484 M HA 0.308 4.789 4.480 0.002 0.000 0.286 484 M C -1.326 175.033 176.300 0.099 0.000 1.232 484 M CA -0.654 54.661 55.300 0.025 0.000 0.877 484 M CB 2.799 35.408 32.600 0.015 0.000 1.726 484 M HN 0.567 nan 8.290 nan 0.000 0.463 485 E N 1.586 121.827 120.200 0.068 0.000 2.317 485 E HA 0.404 4.755 4.350 0.002 0.000 0.270 485 E C -1.343 175.291 176.600 0.057 0.000 0.885 485 E CA -1.057 55.413 56.400 0.117 0.000 0.760 485 E CB 2.542 32.282 29.700 0.067 0.000 1.227 485 E HN 0.407 nan 8.360 nan 0.000 0.434 486 K N 3.361 123.811 120.400 0.084 0.000 2.368 486 K HA 0.188 4.509 4.320 0.002 0.000 0.282 486 K C -1.559 175.051 176.600 0.017 0.000 1.035 486 K CA -1.055 55.240 56.287 0.014 0.000 0.973 486 K CB 0.018 32.536 32.500 0.030 0.000 0.957 486 K HN 0.451 nan 8.250 nan 0.000 0.474 487 P HA 0.000 nan 4.420 nan 0.000 0.216 487 P CA 0.000 63.100 63.100 0.001 0.000 0.800 487 P CB 0.000 31.696 31.700 -0.006 0.000 0.726