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 2w3p_1_A DATA FIRST_RESID 10 DATA SEQUENCE PVDYRTDPSQ YKHWKLSFNG PVATLGIDIA EDGGIRDGYK LKLNSYDLGV DATA SEQUENCE DIELHDAIQR IRFEHPEVRT VVLTSLKDRV FCSGANIFML GLSTHAWKVN DATA SEQUENCE FCKFTNETRN GLEDSSRHSG LKFLAAVNGA CAGGGYELAL ACDEIYLVDD DATA SEQUENCE RSSSVSLPEV PLLGVLPGTG GLTRVTDKRK VRHDRADIFC TVVEGVRGER DATA SEQUENCE AKAWRLVDEV VKPNQFDQAI QARALELAAQ SDRPAHAQGV PLTRIERTDR DATA SEQUENCE EDGLTYKTLD VTIDRAKRIA TFTAKAPQTE PPASIDAIVA AGANWWPLKF DATA SEQUENCE AREFDDAILS MRTNELAVGT WVFRTEGDAR HLLAADASLM QHKDHWFVRE DATA SEQUENCE TIGLLRRTLA RIDVSSRSLF ALIEPGSCFA GTFAELAFAA DRTYMAALPA DATA SEQUENCE NEDEEPAITL SEVNFGLYPM VTHQSRLARR FYEETEPLDA VRSRIGQAIK DATA SEQUENCE PVEAERLGLV TASPDDIDWA DEIRIALEER AAMSPDALTG LEANLRFNGP DATA SEQUENCE ETMETRIFGR LTAWQNWIFN RPNAVGEKGA LKVYGKGSKA QFDVSRV 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 10 P HA 0.000 nan 4.420 nan 0.000 0.216 10 P C 0.000 177.365 177.300 0.109 0.000 1.155 10 P CA 0.000 63.163 63.100 0.106 0.000 0.800 10 P CB 0.000 31.750 31.700 0.083 0.000 0.726 11 V N 1.342 121.337 119.914 0.136 0.000 2.498 11 V HA 0.414 4.534 4.120 -0.001 0.000 0.279 11 V C -0.120 176.013 176.094 0.065 0.000 1.048 11 V CA 0.115 62.454 62.300 0.065 0.000 0.967 11 V CB 1.342 33.157 31.823 -0.015 0.000 0.988 11 V HN 0.627 nan 8.190 nan 0.000 0.473 12 D N 2.683 123.096 120.400 0.021 0.000 2.344 12 D HA 0.295 4.935 4.640 -0.001 0.000 0.239 12 D C -0.021 176.301 176.300 0.037 0.000 1.064 12 D CA -0.354 53.697 54.000 0.085 0.000 0.829 12 D CB 1.268 42.114 40.800 0.076 0.000 1.129 12 D HN 0.467 nan 8.370 nan 0.000 0.506 13 Y N 1.914 122.240 120.300 0.043 0.000 2.546 13 Y HA 0.152 4.702 4.550 -0.001 0.000 0.287 13 Y C 0.945 176.916 175.900 0.118 0.000 1.158 13 Y CA 0.202 58.330 58.100 0.046 0.000 1.307 13 Y CB 0.228 38.685 38.460 -0.006 0.000 1.036 13 Y HN 0.075 nan 8.280 nan 0.000 0.532 14 R N 0.172 120.811 120.500 0.232 0.000 2.389 14 R HA 0.371 4.710 4.340 -0.001 0.000 0.295 14 R C 0.208 176.612 176.300 0.173 0.000 1.075 14 R CA 0.241 56.457 56.100 0.193 0.000 1.005 14 R CB 1.019 31.410 30.300 0.152 0.000 0.987 14 R HN -0.021 nan 8.270 nan 0.000 0.452 15 T N 0.957 115.627 114.554 0.194 0.000 2.665 15 T HA 0.395 4.745 4.350 -0.001 0.000 0.303 15 T C -2.006 172.815 174.700 0.202 0.000 1.334 15 T CA -0.746 61.478 62.100 0.208 0.000 1.011 15 T CB 1.539 70.576 68.868 0.281 0.000 1.573 15 T HN 0.818 nan 8.240 nan 0.000 0.492 16 D N -0.749 119.754 120.400 0.173 0.000 2.653 16 D HA 0.464 5.103 4.640 -0.001 0.000 0.258 16 D C -2.474 173.611 176.300 -0.358 0.000 1.252 16 D CA -1.180 52.836 54.000 0.025 0.000 0.777 16 D CB 1.160 41.965 40.800 0.009 0.000 1.339 16 D HN 0.207 nan 8.370 nan 0.000 0.422 17 P HA -0.156 nan 4.420 nan 0.000 0.218 17 P C 1.347 178.307 177.300 -0.567 0.000 1.148 17 P CA 1.773 64.142 63.100 -1.219 0.000 0.822 17 P CB 0.005 31.402 31.700 -0.505 0.000 0.784 18 S N -0.914 114.633 115.700 -0.254 0.000 2.442 18 S HA -0.201 4.268 4.470 -0.001 0.000 0.236 18 S C 1.724 176.290 174.600 -0.057 0.000 1.007 18 S CA 1.082 59.218 58.200 -0.106 0.000 0.965 18 S CB -0.987 62.184 63.200 -0.049 0.000 0.773 18 S HN 0.279 nan 8.310 nan 0.000 0.504 19 Q N -0.682 119.087 119.800 -0.052 0.000 2.319 19 Q HA 0.221 4.561 4.340 -0.001 0.000 0.209 19 Q C -0.660 175.445 176.000 0.176 0.000 0.884 19 Q CA -0.307 55.532 55.803 0.061 0.000 0.938 19 Q CB 0.199 28.995 28.738 0.096 0.000 1.098 19 Q HN 0.548 nan 8.270 nan 0.000 0.517 20 Y N 1.726 122.079 120.300 0.088 0.000 2.610 20 Y HA -0.029 4.521 4.550 -0.001 0.000 0.332 20 Y C 1.254 177.165 175.900 0.020 0.000 1.201 20 Y CA 0.016 58.182 58.100 0.111 0.000 1.465 20 Y CB 0.329 38.907 38.460 0.197 0.000 1.283 20 Y HN -0.058 nan 8.280 nan 0.000 0.563 21 K N 1.282 121.711 120.400 0.049 0.000 2.323 21 K HA 0.026 4.346 4.320 -0.001 0.000 0.197 21 K C 0.584 177.033 176.600 -0.253 0.000 1.043 21 K CA 0.626 56.774 56.287 -0.232 0.000 0.997 21 K CB 0.366 32.514 32.500 -0.586 0.000 0.807 21 K HN 0.641 nan 8.250 nan 0.000 0.497 22 H N -2.105 117.018 119.070 0.088 0.000 2.986 22 H HA 0.160 4.715 4.556 -0.001 0.000 0.267 22 H C -0.539 174.525 175.328 -0.441 0.000 1.072 22 H CA 0.072 56.013 56.048 -0.179 0.000 1.202 22 H CB 0.491 30.099 29.762 -0.257 0.000 1.535 22 H HN 0.033 nan 8.280 nan 0.000 0.522 23 W N 1.297 122.671 121.300 0.123 0.000 3.032 23 W HA 0.472 5.131 4.660 -0.001 0.000 0.335 23 W C -0.309 176.313 176.519 0.172 0.000 1.154 23 W CA -0.816 56.574 57.345 0.075 0.000 1.204 23 W CB 1.945 31.357 29.460 -0.079 0.000 1.416 23 W HN -0.306 nan 8.180 nan 0.000 0.521 24 K N 2.746 123.358 120.400 0.354 0.000 2.345 24 K HA 0.670 4.990 4.320 -0.001 0.000 0.255 24 K C -1.465 175.242 176.600 0.179 0.000 0.934 24 K CA -0.544 55.890 56.287 0.246 0.000 0.801 24 K CB 1.157 33.736 32.500 0.132 0.000 1.137 24 K HN 0.597 nan 8.250 nan 0.000 0.424 25 L N 2.654 123.948 121.223 0.118 0.000 2.307 25 L HA 0.418 4.758 4.340 -0.001 0.000 0.284 25 L C -0.612 176.064 176.870 -0.323 0.000 1.023 25 L CA -0.518 54.242 54.840 -0.134 0.000 0.810 25 L CB 2.035 44.044 42.059 -0.083 0.000 1.231 25 L HN 0.623 nan 8.230 nan 0.000 0.423 26 S N 2.603 117.979 115.700 -0.541 0.000 2.521 26 S HA 0.656 5.126 4.470 -0.001 0.000 0.295 26 S C -1.032 173.160 174.600 -0.680 0.000 1.098 26 S CA -0.442 57.509 58.200 -0.414 0.000 0.999 26 S CB 1.224 64.322 63.200 -0.170 0.000 1.034 26 S HN 0.236 nan 8.310 nan 0.000 0.483 27 F N 2.716 122.639 119.950 -0.046 0.000 2.382 27 F HA 0.443 4.969 4.527 -0.001 0.000 0.361 27 F C 0.362 176.140 175.800 -0.037 0.000 1.109 27 F CA -0.896 57.057 58.000 -0.078 0.000 1.031 27 F CB 0.983 39.918 39.000 -0.107 0.000 1.234 27 F HN 0.413 nan 8.300 nan 0.000 0.445 28 N N 2.782 121.530 118.700 0.080 0.000 2.800 28 N HA 0.460 5.200 4.740 -0.001 0.000 0.240 28 N C 0.543 176.072 175.510 0.032 0.000 1.096 28 N CA 0.649 53.725 53.050 0.045 0.000 0.877 28 N CB 0.537 39.026 38.487 0.003 0.000 1.138 28 N HN 0.807 nan 8.380 nan 0.000 0.509 29 G N 4.118 112.943 108.800 0.042 0.000 2.622 29 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.307 29 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.307 29 G C -1.454 173.444 174.900 -0.004 0.000 1.226 29 G CA 0.319 45.423 45.100 0.006 0.000 0.997 29 G HN 0.520 nan 8.290 nan 0.000 0.551 30 P HA 0.260 nan 4.420 nan 0.000 0.245 30 P C 0.205 177.474 177.300 -0.051 0.000 1.212 30 P CA 0.772 63.838 63.100 -0.057 0.000 0.774 30 P CB 0.176 31.830 31.700 -0.078 0.000 0.999 31 V N 0.883 120.775 119.914 -0.037 0.000 2.357 31 V HA 0.564 4.683 4.120 -0.001 0.000 0.284 31 V C 0.357 176.421 176.094 -0.050 0.000 1.018 31 V CA -1.149 61.117 62.300 -0.057 0.000 0.841 31 V CB 1.191 32.972 31.823 -0.069 0.000 0.991 31 V HN 0.046 nan 8.190 nan 0.000 0.437 32 A N 3.665 126.441 122.820 -0.073 0.000 2.301 32 A HA 0.721 5.040 4.320 -0.001 0.000 0.298 32 A C 0.303 177.777 177.584 -0.183 0.000 1.185 32 A CA -0.280 51.645 52.037 -0.186 0.000 0.830 32 A CB 0.521 19.430 19.000 -0.152 0.000 1.112 32 A HN 0.704 nan 8.150 nan 0.000 0.508 33 T N 2.925 117.340 114.554 -0.232 0.000 2.758 33 T HA 0.434 4.784 4.350 -0.001 0.000 0.285 33 T C -0.624 174.013 174.700 -0.104 0.000 0.981 33 T CA -0.079 61.952 62.100 -0.116 0.000 0.965 33 T CB 0.689 69.515 68.868 -0.070 0.000 0.927 33 T HN 0.503 nan 8.240 nan 0.000 0.448 34 L N 4.357 125.587 121.223 0.011 0.000 2.283 34 L HA 0.681 5.020 4.340 -0.001 0.000 0.281 34 L C 0.308 177.315 176.870 0.229 0.000 1.033 34 L CA -0.184 54.720 54.840 0.107 0.000 0.848 34 L CB 0.371 42.484 42.059 0.090 0.000 1.226 34 L HN 0.693 nan 8.230 nan 0.000 0.429 35 G N 6.039 114.973 108.800 0.222 0.000 2.319 35 G HA2 0.486 4.446 3.960 -0.001 0.000 0.308 35 G HA3 0.486 4.446 3.960 -0.001 0.000 0.308 35 G C -0.317 174.645 174.900 0.103 0.000 1.117 35 G CA -0.587 44.604 45.100 0.152 0.000 0.903 35 G HN 0.643 nan 8.290 nan 0.000 0.436 36 I N 2.185 122.696 120.570 -0.098 0.000 2.436 36 I HA 0.130 4.300 4.170 -0.001 0.000 0.289 36 I C -0.210 175.700 176.117 -0.345 0.000 1.083 36 I CA 0.070 61.060 61.300 -0.516 0.000 1.372 36 I CB 1.115 38.765 38.000 -0.583 0.000 1.408 36 I HN 0.283 nan 8.210 nan 0.000 0.516 37 D N 7.404 127.583 120.400 -0.367 0.000 2.735 37 D HA 0.335 4.975 4.640 -0.001 0.000 0.291 37 D C -0.291 175.930 176.300 -0.131 0.000 1.205 37 D CA -0.342 53.554 54.000 -0.172 0.000 0.777 37 D CB 0.453 41.212 40.800 -0.068 0.000 1.234 37 D HN 0.280 nan 8.370 nan 0.000 0.520 38 I N 1.388 121.865 120.570 -0.154 0.000 2.556 38 I HA 0.218 4.387 4.170 -0.001 0.000 0.284 38 I C 0.977 177.174 176.117 0.135 0.000 1.114 38 I CA -0.305 60.996 61.300 0.002 0.000 1.418 38 I CB 1.160 39.071 38.000 -0.149 0.000 1.394 38 I HN 0.273 nan 8.210 nan 0.000 0.552 39 A N 6.210 129.230 122.820 0.332 0.000 2.396 39 A HA 0.156 4.475 4.320 -0.001 0.000 0.279 39 A C 1.148 178.834 177.584 0.170 0.000 1.165 39 A CA -0.319 51.814 52.037 0.159 0.000 0.824 39 A CB -0.067 18.952 19.000 0.032 0.000 1.100 39 A HN 0.894 nan 8.150 nan 0.000 0.516 40 E N 1.691 121.947 120.200 0.092 0.000 2.118 40 E HA -0.182 4.167 4.350 -0.001 0.000 0.195 40 E C 0.127 176.763 176.600 0.060 0.000 0.992 40 E CA 1.415 57.861 56.400 0.077 0.000 0.804 40 E CB 0.108 29.836 29.700 0.046 0.000 0.741 40 E HN 0.710 nan 8.360 nan 0.000 0.458 41 D N -0.631 119.793 120.400 0.039 0.000 2.325 41 D HA 0.035 4.675 4.640 -0.001 0.000 0.225 41 D C 0.955 177.260 176.300 0.007 0.000 1.096 41 D CA 0.211 54.210 54.000 -0.001 0.000 0.844 41 D CB 0.583 41.374 40.800 -0.014 0.000 0.925 41 D HN 0.144 nan 8.370 nan 0.000 0.513 42 G N 0.232 109.085 108.800 0.089 0.000 3.523 42 G HA2 0.278 4.238 3.960 -0.001 0.000 0.270 42 G HA3 0.278 4.238 3.960 -0.001 0.000 0.270 42 G C 0.848 175.865 174.900 0.196 0.000 1.134 42 G CA -0.370 44.808 45.100 0.129 0.000 0.825 42 G HN 0.186 nan 8.290 nan 0.000 0.534 43 G N -0.054 108.781 108.800 0.059 0.000 2.414 43 G HA2 0.202 4.162 3.960 -0.001 0.000 0.236 43 G HA3 0.202 4.162 3.960 -0.001 0.000 0.236 43 G C 0.906 175.828 174.900 0.037 0.000 1.293 43 G CA -0.512 44.600 45.100 0.020 0.000 0.869 43 G HN 0.249 nan 8.290 nan 0.000 0.556 44 I N 0.382 121.058 120.570 0.176 0.000 2.676 44 I HA 0.066 4.236 4.170 -0.001 0.000 0.259 44 I C 0.855 177.004 176.117 0.053 0.000 1.194 44 I CA 0.644 62.033 61.300 0.149 0.000 1.473 44 I CB -0.012 38.133 38.000 0.241 0.000 1.096 44 I HN 0.258 nan 8.210 nan 0.000 0.443 45 R N 0.762 121.271 120.500 0.015 0.000 2.888 45 R HA 0.352 4.692 4.340 -0.001 0.000 0.266 45 R C -0.994 175.153 176.300 -0.255 0.000 1.020 45 R CA -0.751 55.286 56.100 -0.104 0.000 0.963 45 R CB 0.877 31.084 30.300 -0.155 0.000 1.197 45 R HN -0.055 nan 8.270 nan 0.000 0.481 46 D N -0.835 119.439 120.400 -0.210 0.000 2.354 46 D HA 0.392 5.031 4.640 -0.001 0.000 0.247 46 D C 1.119 177.280 176.300 -0.232 0.000 1.138 46 D CA 0.682 54.528 54.000 -0.256 0.000 0.958 46 D CB 0.992 41.700 40.800 -0.153 0.000 1.144 46 D HN 0.692 nan 8.370 nan 0.000 0.458 47 G N -0.102 108.560 108.800 -0.230 0.000 2.184 47 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.206 47 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.206 47 G C -0.304 174.602 174.900 0.010 0.000 0.995 47 G CA 0.422 45.478 45.100 -0.074 0.000 0.651 47 G HN 0.549 nan 8.290 nan 0.000 0.511 48 Y N -1.333 118.929 120.300 -0.063 0.000 2.571 48 Y HA 0.852 5.402 4.550 -0.001 0.000 0.341 48 Y C -0.518 175.356 175.900 -0.044 0.000 1.076 48 Y CA -2.014 56.049 58.100 -0.061 0.000 1.029 48 Y CB 0.908 39.387 38.460 0.033 0.000 1.308 48 Y HN -0.052 nan 8.280 nan 0.000 0.461 49 K N 2.485 122.938 120.400 0.089 0.000 2.098 49 K HA 0.482 4.802 4.320 -0.001 0.000 0.258 49 K C -0.881 175.864 176.600 0.241 0.000 0.973 49 K CA -0.766 55.568 56.287 0.079 0.000 0.898 49 K CB 1.894 34.402 32.500 0.013 0.000 1.057 49 K HN 0.867 nan 8.250 nan 0.000 0.447 50 L N 3.103 124.441 121.223 0.192 0.000 2.556 50 L HA 0.247 4.586 4.340 -0.001 0.000 0.245 50 L C 0.312 177.253 176.870 0.119 0.000 1.174 50 L CA -0.305 54.644 54.840 0.182 0.000 1.117 50 L CB 0.048 42.201 42.059 0.157 0.000 1.409 50 L HN 0.257 nan 8.230 nan 0.000 0.411 51 K N 1.814 122.293 120.400 0.131 0.000 2.154 51 K HA 0.418 4.738 4.320 -0.001 0.000 0.264 51 K C 0.512 177.162 176.600 0.084 0.000 1.008 51 K CA -0.759 55.588 56.287 0.101 0.000 0.937 51 K CB 1.133 33.704 32.500 0.119 0.000 1.002 51 K HN 0.318 nan 8.250 nan 0.000 0.469 52 L N 1.850 123.110 121.223 0.061 0.000 3.660 52 L HA -0.320 4.019 4.340 -0.001 0.000 0.440 52 L C -0.543 176.347 176.870 0.033 0.000 1.262 52 L CA 0.147 55.017 54.840 0.050 0.000 0.837 52 L CB -2.150 39.951 42.059 0.069 0.000 1.689 52 L HN 0.970 nan 8.230 nan 0.000 0.890 53 N N -0.660 118.042 118.700 0.004 0.000 2.714 53 N HA -0.171 4.568 4.740 -0.001 0.000 0.252 53 N C 0.416 175.939 175.510 0.022 0.000 1.014 53 N CA 0.687 53.713 53.050 -0.040 0.000 0.735 53 N CB -0.235 38.192 38.487 -0.100 0.000 0.924 53 N HN 0.751 nan 8.380 nan 0.000 0.540 54 S N 0.125 115.852 115.700 0.045 0.000 2.646 54 S HA 0.663 5.132 4.470 -0.001 0.000 0.276 54 S C -0.352 174.300 174.600 0.087 0.000 1.222 54 S CA -0.739 57.492 58.200 0.052 0.000 1.014 54 S CB 1.444 64.647 63.200 0.005 0.000 0.991 54 S HN 0.380 nan 8.310 nan 0.000 0.533 55 Y N -1.038 119.272 120.300 0.017 0.000 2.605 55 Y HA 0.848 5.397 4.550 -0.000 0.000 0.343 55 Y C -0.846 175.111 175.900 0.095 0.000 1.036 55 Y CA -1.112 57.009 58.100 0.034 0.000 1.065 55 Y CB 1.051 39.557 38.460 0.076 0.000 1.288 55 Y HN 0.778 nan 8.280 nan 0.000 0.481 56 D N 0.846 121.459 120.400 0.355 0.000 2.781 56 D HA 0.156 4.796 4.640 -0.001 0.000 0.295 56 D C 0.266 176.910 176.300 0.574 0.000 1.143 56 D CA -0.748 53.412 54.000 0.266 0.000 1.076 56 D CB 0.798 41.690 40.800 0.153 0.000 1.444 56 D HN 0.676 nan 8.370 nan 0.000 0.567 57 L N 0.556 122.076 121.223 0.496 0.000 2.083 57 L HA 0.137 4.477 4.340 -0.001 0.000 0.209 57 L C 2.156 179.213 176.870 0.313 0.000 1.083 57 L CA 2.653 57.789 54.840 0.494 0.000 0.752 57 L CB -0.954 41.275 42.059 0.282 0.000 0.899 57 L HN 0.685 nan 8.230 nan 0.000 0.433 58 G N -1.342 107.631 108.800 0.289 0.000 2.422 58 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.218 58 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.218 58 G C 1.530 176.629 174.900 0.331 0.000 1.146 58 G CA 0.981 46.236 45.100 0.259 0.000 0.769 58 G HN 0.326 nan 8.290 nan 0.000 0.547 59 V N 1.064 121.143 119.914 0.275 0.000 2.332 59 V HA -0.189 3.931 4.120 -0.001 0.000 0.248 59 V C 2.422 178.776 176.094 0.432 0.000 1.055 59 V CA 2.344 64.803 62.300 0.265 0.000 1.038 59 V CB -0.461 31.392 31.823 0.051 0.000 0.651 59 V HN 0.363 nan 8.190 nan 0.000 0.450 60 D N -0.431 120.188 120.400 0.364 0.000 2.183 60 D HA -0.076 4.564 4.640 -0.001 0.000 0.203 60 D C 1.988 178.537 176.300 0.415 0.000 0.969 60 D CA 0.819 55.013 54.000 0.323 0.000 0.842 60 D CB -0.105 40.905 40.800 0.350 0.000 0.957 60 D HN 0.417 nan 8.370 nan 0.000 0.484 61 I N 0.666 121.466 120.570 0.382 0.000 2.208 61 I HA -0.241 3.928 4.170 -0.001 0.000 0.245 61 I C 2.119 178.401 176.117 0.276 0.000 1.097 61 I CA 1.171 62.674 61.300 0.338 0.000 1.363 61 I CB -0.219 37.821 38.000 0.067 0.000 1.051 61 I HN 0.110 nan 8.210 nan 0.000 0.413 62 E N 0.359 120.667 120.200 0.180 0.000 2.072 62 E HA -0.244 4.105 4.350 -0.001 0.000 0.191 62 E C 2.119 178.461 176.600 -0.430 0.000 0.985 62 E CA 1.022 57.367 56.400 -0.092 0.000 0.801 62 E CB -0.187 29.518 29.700 0.009 0.000 0.750 62 E HN 0.288 nan 8.360 nan 0.000 0.452 63 L N 1.084 122.038 121.223 -0.449 0.000 2.012 63 L HA -0.223 4.116 4.340 -0.001 0.000 0.210 63 L C 2.415 179.087 176.870 -0.330 0.000 1.073 63 L CA 2.237 56.605 54.840 -0.786 0.000 0.748 63 L CB -0.796 40.912 42.059 -0.585 0.000 0.891 63 L HN 0.156 nan 8.230 nan 0.000 0.431 64 H N -0.882 118.106 119.070 -0.136 0.000 2.319 64 H HA -0.219 4.336 4.556 -0.000 0.000 0.299 64 H C 1.988 177.339 175.328 0.038 0.000 1.092 64 H CA 2.296 58.331 56.048 -0.021 0.000 1.302 64 H CB -0.425 29.444 29.762 0.177 0.000 1.373 64 H HN 0.587 nan 8.280 nan 0.000 0.497 65 D N -0.434 119.932 120.400 -0.058 0.000 2.097 65 D HA -0.131 4.509 4.640 -0.001 0.000 0.195 65 D C 2.286 178.615 176.300 0.048 0.000 0.989 65 D CA 1.696 55.685 54.000 -0.018 0.000 0.827 65 D CB -0.461 40.458 40.800 0.199 0.000 0.966 65 D HN 0.525 nan 8.370 nan 0.000 0.456 66 A N 0.462 123.273 122.820 -0.016 0.000 1.908 66 A HA -0.149 4.170 4.320 -0.001 0.000 0.218 66 A C 2.188 179.814 177.584 0.069 0.000 1.181 66 A CA 1.279 53.353 52.037 0.062 0.000 0.627 66 A CB -0.688 18.192 19.000 -0.200 0.000 0.818 66 A HN 0.351 nan 8.150 nan 0.000 0.445 67 I N -0.575 119.982 120.570 -0.022 0.000 2.286 67 I HA -0.213 3.957 4.170 -0.001 0.000 0.248 67 I C 2.549 178.751 176.117 0.141 0.000 1.115 67 I CA 1.690 63.034 61.300 0.073 0.000 1.392 67 I CB -1.515 36.496 38.000 0.019 0.000 1.065 67 I HN 0.378 nan 8.210 nan 0.000 0.418 68 Q N 0.900 120.751 119.800 0.084 0.000 2.084 68 Q HA -0.150 4.189 4.340 -0.001 0.000 0.202 68 Q C 2.386 178.593 176.000 0.345 0.000 0.978 68 Q CA 1.505 57.431 55.803 0.206 0.000 0.844 68 Q CB -0.007 28.759 28.738 0.047 0.000 0.898 68 Q HN 0.292 nan 8.270 nan 0.000 0.426 69 R N -0.147 120.521 120.500 0.280 0.000 2.081 69 R HA -0.090 4.250 4.340 -0.001 0.000 0.235 69 R C 2.303 178.855 176.300 0.421 0.000 1.131 69 R CA 1.313 57.616 56.100 0.339 0.000 0.960 69 R CB -0.780 29.726 30.300 0.343 0.000 0.856 69 R HN 0.395 nan 8.270 nan 0.000 0.436 70 I N 0.667 121.464 120.570 0.377 0.000 2.179 70 I HA -0.272 3.898 4.170 -0.001 0.000 0.242 70 I C 2.657 178.944 176.117 0.283 0.000 1.088 70 I CA 1.354 62.870 61.300 0.360 0.000 1.357 70 I CB -0.279 37.875 38.000 0.258 0.000 1.051 70 I HN 0.111 nan 8.210 nan 0.000 0.409 71 R N 0.028 120.671 120.500 0.239 0.000 2.080 71 R HA -0.173 4.167 4.340 -0.001 0.000 0.236 71 R C 2.144 178.503 176.300 0.099 0.000 1.137 71 R CA 1.836 57.995 56.100 0.098 0.000 0.943 71 R CB -0.335 29.951 30.300 -0.023 0.000 0.846 71 R HN 0.254 nan 8.270 nan 0.000 0.431 72 F N -0.287 119.859 119.950 0.326 0.000 2.505 72 F HA 0.102 4.629 4.527 -0.001 0.000 0.289 72 F C 1.856 177.853 175.800 0.327 0.000 1.101 72 F CA 0.541 58.785 58.000 0.407 0.000 1.446 72 F CB 0.273 39.453 39.000 0.300 0.000 1.123 72 F HN -0.062 nan 8.300 nan 0.000 0.564 73 E N -1.308 119.076 120.200 0.306 0.000 2.474 73 E HA 0.013 4.363 4.350 -0.001 0.000 0.194 73 E C -0.302 175.979 176.600 -0.532 0.000 1.041 73 E CA 0.413 56.771 56.400 -0.070 0.000 0.874 73 E CB 0.055 29.680 29.700 -0.124 0.000 0.914 73 E HN 0.448 nan 8.360 nan 0.000 0.498 74 H N 0.094 119.133 119.070 -0.051 0.000 2.379 74 H HA 0.111 4.666 4.556 -0.001 0.000 0.229 74 H C -1.872 173.294 175.328 -0.271 0.000 1.423 74 H CA -1.589 54.339 56.048 -0.201 0.000 1.375 74 H CB 0.738 30.380 29.762 -0.200 0.000 1.592 74 H HN 0.038 nan 8.280 nan 0.000 0.507 75 P HA -0.238 nan 4.420 nan 0.000 0.219 75 P C 1.354 178.367 177.300 -0.479 0.000 1.146 75 P CA 1.248 63.844 63.100 -0.839 0.000 0.808 75 P CB 0.590 31.311 31.700 -1.632 0.000 0.779 76 E N 0.205 120.217 120.200 -0.313 0.000 2.358 76 E HA -0.012 4.337 4.350 -0.001 0.000 0.195 76 E C 0.509 177.028 176.600 -0.136 0.000 1.010 76 E CA 0.290 56.557 56.400 -0.222 0.000 0.856 76 E CB -0.779 28.822 29.700 -0.166 0.000 0.795 76 E HN 0.056 nan 8.360 nan 0.000 0.504 77 V N 1.891 121.758 119.914 -0.078 0.000 2.583 77 V HA 0.170 4.290 4.120 -0.001 0.000 0.287 77 V C 1.277 177.315 176.094 -0.094 0.000 1.051 77 V CA -0.026 62.251 62.300 -0.038 0.000 1.010 77 V CB 1.313 33.166 31.823 0.050 0.000 0.988 77 V HN 0.173 nan 8.190 nan 0.000 0.478 78 R N 1.436 121.870 120.500 -0.111 0.000 2.492 78 R HA 0.225 4.565 4.340 -0.001 0.000 0.219 78 R C -0.082 176.108 176.300 -0.184 0.000 0.886 78 R CA 0.103 56.121 56.100 -0.136 0.000 1.003 78 R CB 0.898 31.128 30.300 -0.118 0.000 1.345 78 R HN 0.682 nan 8.270 nan 0.000 0.631 79 T N 0.913 115.358 114.554 -0.182 0.000 2.861 79 T HA 0.424 4.773 4.350 -0.001 0.000 0.287 79 T C -0.931 173.634 174.700 -0.225 0.000 1.003 79 T CA -0.481 61.481 62.100 -0.230 0.000 0.977 79 T CB 2.931 71.699 68.868 -0.167 0.000 0.996 79 T HN -0.248 nan 8.240 nan 0.000 0.448 80 V N 3.389 123.115 119.914 -0.312 0.000 2.357 80 V HA 0.380 4.500 4.120 -0.001 0.000 0.284 80 V C -0.060 175.999 176.094 -0.057 0.000 1.018 80 V CA -0.780 61.412 62.300 -0.179 0.000 0.841 80 V CB 1.571 33.280 31.823 -0.189 0.000 0.991 80 V HN 0.726 nan 8.190 nan 0.000 0.437 81 V N 6.500 126.397 119.914 -0.027 0.000 2.385 81 V HA 0.313 4.433 4.120 -0.001 0.000 0.269 81 V C -0.071 176.088 176.094 0.108 0.000 1.043 81 V CA -0.365 61.950 62.300 0.024 0.000 0.906 81 V CB 1.382 33.195 31.823 -0.017 0.000 0.995 81 V HN 0.670 nan 8.190 nan 0.000 0.467 82 L N 6.023 127.363 121.223 0.194 0.000 2.264 82 L HA 0.756 5.096 4.340 -0.001 0.000 0.289 82 L C -0.017 177.082 176.870 0.381 0.000 1.044 82 L CA 1.135 56.145 54.840 0.283 0.000 0.807 82 L CB 1.403 43.666 42.059 0.339 0.000 1.192 82 L HN 0.770 nan 8.230 nan 0.000 0.425 83 T N 2.491 117.234 114.554 0.314 0.000 2.816 83 T HA 0.475 4.825 4.350 -0.001 0.000 0.299 83 T C -1.261 173.537 174.700 0.163 0.000 1.230 83 T CA -0.439 61.881 62.100 0.367 0.000 1.007 83 T CB 1.600 70.643 68.868 0.292 0.000 1.289 83 T HN 0.662 nan 8.240 nan 0.000 0.508 84 S N 0.957 116.760 115.700 0.170 0.000 2.541 84 S HA 0.558 5.028 4.470 -0.001 0.000 0.283 84 S C 0.709 175.336 174.600 0.045 0.000 1.196 84 S CA -0.716 57.490 58.200 0.009 0.000 1.062 84 S CB 0.340 63.547 63.200 0.013 0.000 1.009 84 S HN 0.577 nan 8.310 nan 0.000 0.502 85 L N 3.264 124.484 121.223 -0.004 0.000 2.667 85 L HA 0.327 4.667 4.340 -0.001 0.000 0.232 85 L C 0.532 177.407 176.870 0.009 0.000 1.138 85 L CA 0.100 54.949 54.840 0.015 0.000 0.921 85 L CB -0.127 41.937 42.059 0.009 0.000 1.180 85 L HN 0.459 nan 8.230 nan 0.000 0.487 86 K N 0.795 121.196 120.400 0.001 0.000 2.138 86 K HA 0.293 4.612 4.320 -0.001 0.000 0.263 86 K C -0.777 175.839 176.600 0.026 0.000 0.965 86 K CA -0.799 55.493 56.287 0.008 0.000 0.868 86 K CB 1.753 34.250 32.500 -0.005 0.000 1.083 86 K HN -0.104 nan 8.250 nan 0.000 0.443 87 D N 2.010 122.424 120.400 0.024 0.000 2.341 87 D HA 0.121 4.760 4.640 -0.001 0.000 0.245 87 D C 0.763 177.079 176.300 0.027 0.000 1.106 87 D CA 0.129 54.144 54.000 0.025 0.000 0.905 87 D CB 1.135 41.947 40.800 0.019 0.000 1.202 87 D HN 0.568 nan 8.370 nan 0.000 0.426 88 R N -1.383 119.132 120.500 0.026 0.000 3.428 88 R HA -0.175 4.164 4.340 -0.001 0.000 0.404 88 R C -0.032 176.297 176.300 0.049 0.000 0.489 88 R CA 0.834 56.950 56.100 0.027 0.000 1.482 88 R CB -1.147 29.168 30.300 0.026 0.000 1.960 88 R HN 0.350 nan 8.270 nan 0.000 0.331 89 V N 0.613 120.567 119.914 0.066 0.000 2.709 89 V HA 0.498 4.618 4.120 -0.001 0.000 0.308 89 V C 0.108 176.290 176.094 0.145 0.000 1.062 89 V CA -0.669 61.690 62.300 0.098 0.000 0.901 89 V CB 2.012 33.877 31.823 0.070 0.000 1.003 89 V HN 0.183 nan 8.190 nan 0.000 0.425 90 F N 5.734 125.710 119.950 0.043 0.000 2.148 90 F HA 0.505 5.032 4.527 -0.001 0.000 0.285 90 F C 0.628 176.467 175.800 0.064 0.000 1.092 90 F CA 1.059 59.096 58.000 0.062 0.000 1.218 90 F CB 0.430 39.484 39.000 0.090 0.000 1.059 90 F HN 0.648 nan 8.300 nan 0.000 0.490 91 C N 1.118 120.508 119.300 0.151 0.000 2.989 91 C HA 0.431 4.891 4.460 -0.001 0.000 0.397 91 C C 0.625 175.726 174.990 0.184 0.000 1.022 91 C CA -0.126 58.919 59.018 0.045 0.000 1.232 91 C CB 0.317 28.027 27.740 -0.050 0.000 1.638 91 C HN 0.582 nan 8.230 nan 0.000 0.534 92 S N 3.560 119.336 115.700 0.127 0.000 2.577 92 S HA 0.578 5.048 4.470 -0.001 0.000 0.219 92 S C 0.882 175.531 174.600 0.081 0.000 0.962 92 S CA 0.845 59.109 58.200 0.106 0.000 0.921 92 S CB -0.116 63.125 63.200 0.069 0.000 0.789 92 S HN 2.626 nan 8.310 nan 0.000 0.497 93 G N 0.930 109.820 108.800 0.150 0.000 2.610 93 G HA2 0.290 4.249 3.960 -0.001 0.000 0.304 93 G HA3 0.290 4.249 3.960 -0.001 0.000 0.304 93 G C -0.144 174.570 174.900 -0.310 0.000 1.309 93 G CA -0.602 44.559 45.100 0.102 0.000 0.906 93 G HN 1.290 nan 8.290 nan 0.000 0.521 94 A N 0.135 122.598 122.820 -0.594 0.000 2.520 94 A HA 0.471 4.791 4.320 -0.001 0.000 0.245 94 A C 0.932 178.253 177.584 -0.437 0.000 1.072 94 A CA 0.642 52.197 52.037 -0.803 0.000 0.761 94 A CB 0.060 18.901 19.000 -0.264 0.000 1.004 94 A HN 1.253 nan 8.150 nan 0.000 0.499 95 N N 2.246 120.701 118.700 -0.409 0.000 2.447 95 N HA 0.021 4.761 4.740 -0.001 0.000 0.263 95 N C 0.943 176.232 175.510 -0.370 0.000 1.226 95 N CA 0.045 52.915 53.050 -0.299 0.000 0.906 95 N CB 0.341 38.698 38.487 -0.217 0.000 1.060 95 N HN 0.594 nan 8.380 nan 0.000 0.468 96 I N 3.430 123.728 120.570 -0.453 0.000 2.315 96 I HA -0.243 3.927 4.170 -0.001 0.000 0.248 96 I C 1.346 177.177 176.117 -0.476 0.000 1.117 96 I CA 0.921 61.873 61.300 -0.581 0.000 1.404 96 I CB -0.190 37.199 38.000 -1.017 0.000 1.071 96 I HN 0.477 nan 8.210 nan 0.000 0.419 97 F N -0.120 119.736 119.950 -0.156 0.000 2.134 97 F HA -0.248 4.279 4.527 -0.001 0.000 0.299 97 F C 2.521 178.174 175.800 -0.246 0.000 1.097 97 F CA 1.203 59.149 58.000 -0.090 0.000 1.264 97 F CB -0.713 38.307 39.000 0.034 0.000 1.001 97 F HN 0.057 nan 8.300 nan 0.000 0.479 98 M N 0.287 119.656 119.600 -0.386 0.000 2.117 98 M HA -0.175 4.305 4.480 -0.001 0.000 0.262 98 M C 2.055 178.092 176.300 -0.438 0.000 1.065 98 M CA 1.830 56.657 55.300 -0.787 0.000 1.114 98 M CB -0.835 30.959 32.600 -1.343 0.000 1.361 98 M HN 0.268 nan 8.290 nan 0.000 0.408 99 L N -0.276 120.725 121.223 -0.371 0.000 2.046 99 L HA -0.123 4.217 4.340 -0.001 0.000 0.208 99 L C 2.610 179.358 176.870 -0.204 0.000 1.077 99 L CA 1.338 56.005 54.840 -0.289 0.000 0.747 99 L CB -1.365 40.546 42.059 -0.247 0.000 0.896 99 L HN 0.438 nan 8.230 nan 0.000 0.432 100 G N -0.250 108.458 108.800 -0.152 0.000 2.448 100 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.219 100 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.219 100 G C 1.520 176.385 174.900 -0.060 0.000 1.127 100 G CA 0.398 45.452 45.100 -0.076 0.000 0.766 100 G HN 0.282 nan 8.290 nan 0.000 0.552 101 L N 0.772 121.948 121.223 -0.078 0.000 2.567 101 L HA 0.215 4.555 4.340 -0.001 0.000 0.225 101 L C 0.745 177.540 176.870 -0.125 0.000 1.119 101 L CA -0.231 54.569 54.840 -0.067 0.000 0.871 101 L CB 0.277 42.325 42.059 -0.019 0.000 1.036 101 L HN 0.005 nan 8.230 nan 0.000 0.459 102 S N -0.151 115.455 115.700 -0.156 0.000 2.585 102 S HA 0.289 4.758 4.470 -0.001 0.000 0.277 102 S C 0.484 175.048 174.600 -0.059 0.000 1.241 102 S CA -0.623 57.479 58.200 -0.162 0.000 1.041 102 S CB 1.354 64.507 63.200 -0.079 0.000 0.987 102 S HN 0.309 nan 8.310 nan 0.000 0.512 103 T N -0.391 114.165 114.554 0.003 0.000 2.802 103 T HA 0.121 4.470 4.350 -0.001 0.000 0.305 103 T C 1.119 175.885 174.700 0.110 0.000 1.053 103 T CA -0.002 62.141 62.100 0.072 0.000 1.058 103 T CB 0.222 69.155 68.868 0.108 0.000 0.988 103 T HN 0.707 nan 8.240 nan 0.000 0.539 104 H N 1.661 120.742 119.070 0.019 0.000 2.289 104 H HA -0.058 4.498 4.556 -0.000 0.000 0.296 104 H C 2.378 177.753 175.328 0.079 0.000 1.091 104 H CA 2.691 58.751 56.048 0.020 0.000 1.274 104 H CB -0.848 28.941 29.762 0.046 0.000 1.364 104 H HN 0.807 nan 8.280 nan 0.000 0.490 105 A N 0.885 123.773 122.820 0.113 0.000 1.940 105 A HA -0.206 4.114 4.320 -0.001 0.000 0.219 105 A C 2.465 180.107 177.584 0.097 0.000 1.176 105 A CA 1.446 53.525 52.037 0.070 0.000 0.631 105 A CB -1.412 17.665 19.000 0.129 0.000 0.814 105 A HN 0.808 nan 8.150 nan 0.000 0.446 106 W N 1.051 122.341 121.300 -0.017 0.000 2.355 106 W HA -0.149 4.511 4.660 -0.000 0.000 0.309 106 W C 1.818 178.338 176.519 0.002 0.000 1.206 106 W CA 1.984 59.328 57.345 -0.002 0.000 1.284 106 W CB -0.288 29.152 29.460 -0.033 0.000 1.145 106 W HN 0.331 nan 8.180 nan 0.000 0.502 107 K N 0.033 120.485 120.400 0.087 0.000 2.032 107 K HA -0.188 4.132 4.320 -0.001 0.000 0.209 107 K C 1.821 178.470 176.600 0.081 0.000 1.048 107 K CA 1.948 58.207 56.287 -0.047 0.000 0.927 107 K CB -0.688 31.494 32.500 -0.529 0.000 0.712 107 K HN 0.029 nan 8.250 nan 0.000 0.441 108 V N 1.751 121.668 119.914 0.005 0.000 2.343 108 V HA -0.254 3.865 4.120 -0.001 0.000 0.247 108 V C 2.053 178.188 176.094 0.068 0.000 1.051 108 V CA 2.026 64.372 62.300 0.076 0.000 1.036 108 V CB -0.691 31.107 31.823 -0.043 0.000 0.654 108 V HN 0.413 nan 8.190 nan 0.000 0.451 109 N N 0.104 118.803 118.700 -0.000 0.000 2.188 109 N HA -0.213 4.527 4.740 -0.001 0.000 0.184 109 N C 1.692 177.217 175.510 0.024 0.000 1.018 109 N CA 1.583 54.621 53.050 -0.020 0.000 0.858 109 N CB -0.327 38.090 38.487 -0.115 0.000 0.989 109 N HN 0.440 nan 8.380 nan 0.000 0.426 110 F N 0.745 120.575 119.950 -0.201 0.000 2.102 110 F HA -0.157 4.370 4.527 -0.000 0.000 0.298 110 F C 2.183 178.039 175.800 0.094 0.000 1.105 110 F CA 1.215 59.153 58.000 -0.103 0.000 1.239 110 F CB -0.817 38.081 39.000 -0.170 0.000 0.991 110 F HN 0.133 nan 8.300 nan 0.000 0.474 111 C N 0.998 120.326 119.300 0.048 0.000 2.413 111 C HA -0.185 4.275 4.460 -0.001 0.000 0.276 111 C C 2.801 177.791 174.990 -0.000 0.000 1.248 111 C CA 1.570 60.580 59.018 -0.014 0.000 1.742 111 C CB -1.231 26.619 27.740 0.184 0.000 2.017 111 C HN 0.560 nan 8.230 nan 0.000 0.481 112 K N -0.206 120.251 120.400 0.094 0.000 2.025 112 K HA -0.169 4.151 4.320 -0.001 0.000 0.207 112 K C 1.960 178.644 176.600 0.141 0.000 1.049 112 K CA 1.558 57.951 56.287 0.175 0.000 0.933 112 K CB -0.403 32.178 32.500 0.136 0.000 0.714 112 K HN 0.438 nan 8.250 nan 0.000 0.438 113 F N 1.876 121.805 119.950 -0.035 0.000 2.113 113 F HA -0.202 4.325 4.527 -0.001 0.000 0.297 113 F C 2.332 178.078 175.800 -0.090 0.000 1.103 113 F CA 2.215 60.182 58.000 -0.054 0.000 1.248 113 F CB -0.781 38.216 39.000 -0.006 0.000 0.999 113 F HN 0.184 nan 8.300 nan 0.000 0.475 114 T N -2.098 112.367 114.554 -0.148 0.000 2.788 114 T HA -0.213 4.136 4.350 -0.001 0.000 0.268 114 T C 1.758 176.299 174.700 -0.265 0.000 1.044 114 T CA 1.856 63.788 62.100 -0.280 0.000 1.139 114 T CB -1.118 67.542 68.868 -0.346 0.000 0.867 114 T HN 0.418 nan 8.240 nan 0.000 0.454 115 N N 1.248 119.837 118.700 -0.184 0.000 2.120 115 N HA -0.078 4.661 4.740 -0.001 0.000 0.188 115 N C 2.087 177.509 175.510 -0.148 0.000 1.024 115 N CA 1.435 54.378 53.050 -0.179 0.000 0.852 115 N CB -0.121 38.246 38.487 -0.201 0.000 1.003 115 N HN 0.614 nan 8.380 nan 0.000 0.424 116 E N -0.342 119.795 120.200 -0.106 0.000 2.106 116 E HA -0.102 4.247 4.350 -0.001 0.000 0.192 116 E C 1.723 178.171 176.600 -0.254 0.000 0.984 116 E CA 1.060 57.395 56.400 -0.108 0.000 0.806 116 E CB 0.002 29.624 29.700 -0.130 0.000 0.750 116 E HN 0.319 nan 8.360 nan 0.000 0.458 117 T N 0.927 115.215 114.554 -0.442 0.000 2.720 117 T HA -0.155 4.195 4.350 -0.001 0.000 0.268 117 T C 1.841 176.389 174.700 -0.253 0.000 1.037 117 T CA 1.309 63.187 62.100 -0.371 0.000 1.144 117 T CB -0.111 68.484 68.868 -0.454 0.000 0.864 117 T HN 0.086 nan 8.240 nan 0.000 0.444 118 R N 1.043 121.398 120.500 -0.242 0.000 2.073 118 R HA 0.042 4.382 4.340 -0.001 0.000 0.229 118 R C 2.441 178.628 176.300 -0.189 0.000 1.120 118 R CA 1.159 57.128 56.100 -0.218 0.000 0.967 118 R CB -0.229 29.957 30.300 -0.190 0.000 0.862 118 R HN 0.268 nan 8.270 nan 0.000 0.436 119 N N 0.114 118.726 118.700 -0.147 0.000 2.205 119 N HA -0.122 4.618 4.740 -0.001 0.000 0.186 119 N C 1.713 177.179 175.510 -0.073 0.000 1.015 119 N CA 1.547 54.545 53.050 -0.087 0.000 0.862 119 N CB -0.605 37.872 38.487 -0.017 0.000 0.986 119 N HN 0.368 nan 8.380 nan 0.000 0.429 120 G N 0.851 109.594 108.800 -0.095 0.000 2.443 120 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.219 120 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.219 120 G C 1.607 176.429 174.900 -0.131 0.000 1.131 120 G CA 0.236 45.296 45.100 -0.066 0.000 0.775 120 G HN 0.237 nan 8.290 nan 0.000 0.547 121 L N 0.006 121.049 121.223 -0.300 0.000 2.017 121 L HA -0.078 4.261 4.340 -0.001 0.000 0.208 121 L C 2.856 179.549 176.870 -0.295 0.000 1.073 121 L CA 1.476 55.936 54.840 -0.634 0.000 0.745 121 L CB -0.501 41.040 42.059 -0.862 0.000 0.894 121 L HN 0.270 nan 8.230 nan 0.000 0.432 122 E N 0.003 120.106 120.200 -0.160 0.000 2.106 122 E HA -0.255 4.094 4.350 -0.001 0.000 0.192 122 E C 1.720 178.319 176.600 -0.002 0.000 0.984 122 E CA 1.385 57.756 56.400 -0.048 0.000 0.806 122 E CB -0.096 29.576 29.700 -0.048 0.000 0.750 122 E HN 0.466 nan 8.360 nan 0.000 0.458 123 D N 0.110 120.523 120.400 0.021 0.000 2.123 123 D HA -0.141 4.498 4.640 -0.001 0.000 0.196 123 D C 1.865 178.249 176.300 0.140 0.000 0.992 123 D CA 1.419 55.484 54.000 0.110 0.000 0.833 123 D CB 0.092 40.964 40.800 0.120 0.000 0.954 123 D HN -0.087 nan 8.370 nan 0.000 0.455 124 S N -1.102 114.682 115.700 0.139 0.000 2.406 124 S HA -0.115 4.355 4.470 -0.001 0.000 0.228 124 S C 1.890 176.607 174.600 0.194 0.000 1.020 124 S CA 0.828 59.151 58.200 0.205 0.000 0.965 124 S CB -0.296 63.090 63.200 0.310 0.000 0.798 124 S HN 0.303 nan 8.310 nan 0.000 0.488 125 S N 1.257 117.084 115.700 0.212 0.000 2.382 125 S HA -0.057 4.413 4.470 -0.001 0.000 0.228 125 S C 1.934 176.523 174.600 -0.019 0.000 1.027 125 S CA 0.975 59.256 58.200 0.134 0.000 0.991 125 S CB -0.092 63.200 63.200 0.153 0.000 0.823 125 S HN 0.444 nan 8.310 nan 0.000 0.469 126 R N -0.958 119.458 120.500 -0.141 0.000 2.093 126 R HA 0.085 4.424 4.340 -0.001 0.000 0.224 126 R C 1.456 177.484 176.300 -0.454 0.000 1.101 126 R CA 1.323 57.174 56.100 -0.415 0.000 0.979 126 R CB -0.129 29.696 30.300 -0.792 0.000 0.877 126 R HN 0.532 nan 8.270 nan 0.000 0.441 127 H N -2.151 116.946 119.070 0.046 0.000 3.233 127 H HA 0.321 4.876 4.556 -0.001 0.000 0.263 127 H C 0.750 176.107 175.328 0.048 0.000 1.168 127 H CA -0.005 56.068 56.048 0.042 0.000 1.159 127 H CB 1.282 31.067 29.762 0.038 0.000 1.593 127 H HN -0.002 nan 8.280 nan 0.000 0.580 128 S N -0.650 115.132 115.700 0.136 0.000 2.540 128 S HA 0.246 4.715 4.470 -0.001 0.000 0.222 128 S C 1.524 176.165 174.600 0.069 0.000 1.008 128 S CA 0.491 58.755 58.200 0.106 0.000 0.939 128 S CB 1.077 64.340 63.200 0.105 0.000 0.865 128 S HN 0.645 nan 8.310 nan 0.000 0.499 129 G N 1.812 110.636 108.800 0.040 0.000 2.176 129 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.252 129 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.252 129 G C -0.182 174.690 174.900 -0.047 0.000 1.024 129 G CA 0.107 45.206 45.100 -0.000 0.000 0.755 129 G HN 0.438 nan 8.290 nan 0.000 0.507 130 L N -0.572 120.617 121.223 -0.056 0.000 2.330 130 L HA 0.745 5.084 4.340 -0.001 0.000 0.271 130 L C 0.108 176.838 176.870 -0.234 0.000 1.013 130 L CA -1.099 53.622 54.840 -0.198 0.000 0.816 130 L CB 1.745 43.650 42.059 -0.258 0.000 1.287 130 L HN -0.112 nan 8.230 nan 0.000 0.435 131 K N 1.917 122.085 120.400 -0.386 0.000 2.385 131 K HA 0.583 4.903 4.320 -0.001 0.000 0.248 131 K C -1.469 174.819 176.600 -0.519 0.000 0.955 131 K CA -0.529 55.594 56.287 -0.273 0.000 0.816 131 K CB 2.514 34.938 32.500 -0.126 0.000 1.250 131 K HN 0.222 nan 8.250 nan 0.000 0.434 132 F N 1.769 121.709 119.950 -0.016 0.000 2.477 132 F HA 0.379 4.906 4.527 -0.000 0.000 0.335 132 F C -0.226 175.570 175.800 -0.006 0.000 1.130 132 F CA -1.054 56.941 58.000 -0.008 0.000 0.948 132 F CB 1.384 40.383 39.000 -0.001 0.000 1.154 132 F HN 0.148 nan 8.300 nan 0.000 0.439 133 L N 3.918 125.206 121.223 0.107 0.000 2.319 133 L HA 0.814 5.153 4.340 -0.001 0.000 0.281 133 L C -0.473 176.456 176.870 0.099 0.000 1.005 133 L CA -0.680 54.186 54.840 0.043 0.000 0.828 133 L CB 1.081 43.082 42.059 -0.097 0.000 1.227 133 L HN 0.650 nan 8.230 nan 0.000 0.415 134 A N 4.889 127.786 122.820 0.129 0.000 2.310 134 A HA 0.716 5.036 4.320 -0.001 0.000 0.300 134 A C 0.205 177.865 177.584 0.126 0.000 1.269 134 A CA 0.056 52.191 52.037 0.163 0.000 0.909 134 A CB 0.073 19.143 19.000 0.117 0.000 1.144 134 A HN 1.047 nan 8.150 nan 0.000 0.540 135 A N 3.559 126.497 122.820 0.196 0.000 2.621 135 A HA 0.525 4.844 4.320 -0.001 0.000 0.329 135 A C -0.169 177.617 177.584 0.336 0.000 1.458 135 A CA -0.344 51.861 52.037 0.281 0.000 1.052 135 A CB -0.182 18.951 19.000 0.221 0.000 1.142 135 A HN 0.817 nan 8.150 nan 0.000 0.523 136 V N 4.584 124.581 119.914 0.139 0.000 2.356 136 V HA 0.088 4.208 4.120 -0.001 0.000 0.258 136 V C 0.518 176.563 176.094 -0.081 0.000 1.065 136 V CA -0.270 61.859 62.300 -0.284 0.000 0.935 136 V CB -0.077 31.463 31.823 -0.472 0.000 1.061 136 V HN 0.936 nan 8.190 nan 0.000 0.484 137 N N 3.576 122.296 118.700 0.032 0.000 2.273 137 N HA 0.344 5.083 4.740 -0.001 0.000 0.231 137 N C 0.212 175.690 175.510 -0.053 0.000 1.134 137 N CA 0.357 53.318 53.050 -0.149 0.000 0.856 137 N CB 1.722 40.216 38.487 0.012 0.000 1.068 137 N HN 0.638 nan 8.380 nan 0.000 0.510 138 G N -0.935 107.878 108.800 0.023 0.000 2.340 138 G HA2 0.535 4.494 3.960 -0.001 0.000 0.299 138 G HA3 0.535 4.494 3.960 -0.001 0.000 0.299 138 G C -1.662 173.297 174.900 0.098 0.000 1.291 138 G CA -0.376 44.756 45.100 0.054 0.000 0.841 138 G HN 0.315 nan 8.290 nan 0.000 0.500 139 A N -1.158 121.719 122.820 0.095 0.000 2.567 139 A HA 0.419 4.739 4.320 -0.001 0.000 0.240 139 A C 0.531 178.230 177.584 0.191 0.000 1.053 139 A CA 0.931 53.029 52.037 0.103 0.000 0.755 139 A CB -0.236 18.812 19.000 0.081 0.000 0.978 139 A HN 2.022 nan 8.150 nan 0.000 0.507 140 C N 3.808 123.213 119.300 0.174 0.000 2.653 140 C HA 0.706 5.165 4.460 -0.001 0.000 0.291 140 C C 0.211 175.339 174.990 0.230 0.000 1.064 140 C CA 0.194 59.381 59.018 0.281 0.000 1.469 140 C CB -1.062 26.789 27.740 0.185 0.000 1.861 140 C HN 1.238 nan 8.230 nan 0.000 0.434 141 A N 4.332 127.281 122.820 0.214 0.000 2.365 141 A HA 0.889 5.209 4.320 -0.001 0.000 0.318 141 A C 0.852 178.532 177.584 0.160 0.000 1.091 141 A CA 0.677 52.795 52.037 0.136 0.000 0.763 141 A CB 0.872 19.914 19.000 0.070 0.000 1.248 141 A HN 2.521 nan 8.150 nan 0.000 0.442 142 G N 1.858 110.736 108.800 0.129 0.000 2.629 142 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.313 142 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.313 142 G C 1.491 176.516 174.900 0.209 0.000 1.217 142 G CA 1.181 46.355 45.100 0.123 0.000 0.994 142 G HN 2.107 nan 8.290 nan 0.000 0.549 143 G N 0.564 109.486 108.800 0.203 0.000 2.475 143 G HA2 0.123 4.083 3.960 -0.001 0.000 0.220 143 G HA3 0.123 4.083 3.960 -0.001 0.000 0.220 143 G C 1.908 177.030 174.900 0.371 0.000 1.125 143 G CA 2.186 47.483 45.100 0.328 0.000 0.755 143 G HN 1.803 nan 8.290 nan 0.000 0.565 144 G N -0.185 108.830 108.800 0.359 0.000 2.446 144 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.217 144 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.217 144 G C 1.658 176.830 174.900 0.453 0.000 1.168 144 G CA 1.134 46.481 45.100 0.413 0.000 0.771 144 G HN 0.427 nan 8.290 nan 0.000 0.551 145 Y N 1.552 122.003 120.300 0.251 0.000 2.263 145 Y HA 0.025 4.574 4.550 -0.001 0.000 0.292 145 Y C 2.735 178.742 175.900 0.178 0.000 1.130 145 Y CA 1.607 59.830 58.100 0.205 0.000 1.179 145 Y CB -0.125 38.463 38.460 0.212 0.000 0.998 145 Y HN 0.374 nan 8.280 nan 0.000 0.532 146 E N -0.388 119.873 120.200 0.101 0.000 2.118 146 E HA -0.238 4.112 4.350 -0.001 0.000 0.195 146 E C 2.006 178.581 176.600 -0.040 0.000 0.992 146 E CA 1.344 57.735 56.400 -0.016 0.000 0.804 146 E CB -0.353 29.388 29.700 0.068 0.000 0.741 146 E HN 0.401 nan 8.360 nan 0.000 0.458 147 L N 0.951 122.207 121.223 0.056 0.000 2.027 147 L HA -0.055 4.284 4.340 -0.001 0.000 0.206 147 L C 2.242 179.143 176.870 0.052 0.000 1.074 147 L CA 1.941 56.807 54.840 0.044 0.000 0.745 147 L CB -0.661 41.462 42.059 0.107 0.000 0.898 147 L HN 0.015 nan 8.230 nan 0.000 0.433 148 A N -0.442 122.447 122.820 0.113 0.000 1.940 148 A HA -0.199 4.121 4.320 -0.001 0.000 0.219 148 A C 2.284 179.810 177.584 -0.096 0.000 1.176 148 A CA 2.017 54.086 52.037 0.054 0.000 0.631 148 A CB -0.994 18.027 19.000 0.035 0.000 0.814 148 A HN 0.518 nan 8.150 nan 0.000 0.446 149 L N -0.971 120.093 121.223 -0.265 0.000 2.127 149 L HA -0.210 4.130 4.340 -0.001 0.000 0.211 149 L C 2.868 179.656 176.870 -0.138 0.000 1.089 149 L CA 1.011 55.684 54.840 -0.279 0.000 0.757 149 L CB -0.346 41.494 42.059 -0.365 0.000 0.899 149 L HN 0.450 nan 8.230 nan 0.000 0.434 150 A N -1.559 121.190 122.820 -0.118 0.000 2.167 150 A HA -0.012 4.308 4.320 -0.001 0.000 0.214 150 A C 1.225 178.752 177.584 -0.095 0.000 1.151 150 A CA 0.018 51.986 52.037 -0.115 0.000 0.735 150 A CB -0.636 18.273 19.000 -0.152 0.000 0.802 150 A HN 0.420 nan 8.150 nan 0.000 0.467 151 C N -0.130 119.149 119.300 -0.034 0.000 2.563 151 C HA 0.147 4.606 4.460 -0.001 0.000 0.358 151 C C 1.593 176.631 174.990 0.079 0.000 1.336 151 C CA -0.435 58.619 59.018 0.059 0.000 2.454 151 C CB 0.222 28.036 27.740 0.123 0.000 2.448 151 C HN 0.612 nan 8.230 nan 0.000 0.670 152 D N 0.066 120.552 120.400 0.143 0.000 2.149 152 D HA -0.014 4.626 4.640 -0.001 0.000 0.201 152 D C 0.383 176.735 176.300 0.088 0.000 0.972 152 D CA 1.344 55.406 54.000 0.103 0.000 0.835 152 D CB 0.336 41.202 40.800 0.110 0.000 0.966 152 D HN 0.675 nan 8.370 nan 0.000 0.476 153 E N -0.141 120.124 120.200 0.108 0.000 2.383 153 E HA 0.522 4.872 4.350 -0.001 0.000 0.275 153 E C -0.811 175.894 176.600 0.175 0.000 0.918 153 E CA -0.526 55.962 56.400 0.146 0.000 0.764 153 E CB 3.006 32.825 29.700 0.198 0.000 1.252 153 E HN -0.089 nan 8.360 nan 0.000 0.449 154 I N 2.249 122.944 120.570 0.208 0.000 2.410 154 I HA 0.316 4.485 4.170 -0.001 0.000 0.286 154 I C -1.356 174.932 176.117 0.285 0.000 1.009 154 I CA -0.785 60.634 61.300 0.198 0.000 1.111 154 I CB 0.805 38.880 38.000 0.126 0.000 1.262 154 I HN 0.369 nan 8.210 nan 0.000 0.443 155 Y N 6.106 126.434 120.300 0.046 0.000 2.335 155 Y HA 0.543 5.093 4.550 -0.001 0.000 0.338 155 Y C -0.429 175.599 175.900 0.212 0.000 0.977 155 Y CA -0.865 57.289 58.100 0.091 0.000 1.114 155 Y CB 1.882 40.342 38.460 -0.000 0.000 1.182 155 Y HN 0.386 nan 8.280 nan 0.000 0.463 156 L N 4.408 125.786 121.223 0.259 0.000 2.329 156 L HA 0.644 4.983 4.340 -0.001 0.000 0.279 156 L C -0.864 176.094 176.870 0.147 0.000 1.014 156 L CA -0.805 54.126 54.840 0.152 0.000 0.814 156 L CB 1.570 43.642 42.059 0.022 0.000 1.257 156 L HN 0.429 nan 8.230 nan 0.000 0.424 157 V N 4.333 124.156 119.914 -0.151 0.000 2.585 157 V HA 0.133 4.252 4.120 -0.001 0.000 0.296 157 V C -0.198 175.822 176.094 -0.123 0.000 1.035 157 V CA -0.081 62.013 62.300 -0.344 0.000 1.084 157 V CB 0.929 32.282 31.823 -0.783 0.000 0.953 157 V HN 0.904 nan 8.190 nan 0.000 0.483 158 D N 4.575 124.950 120.400 -0.042 0.000 2.631 158 D HA 0.208 4.847 4.640 -0.001 0.000 0.227 158 D C 0.282 176.557 176.300 -0.042 0.000 1.146 158 D CA -0.290 53.691 54.000 -0.032 0.000 1.009 158 D CB 0.327 41.127 40.800 -0.001 0.000 1.057 158 D HN 0.812 nan 8.370 nan 0.000 0.509 159 D N 0.741 121.104 120.400 -0.062 0.000 2.440 159 D HA 0.087 4.727 4.640 -0.001 0.000 0.216 159 D C 0.617 176.891 176.300 -0.043 0.000 1.150 159 D CA -0.346 53.621 54.000 -0.054 0.000 0.832 159 D CB 0.051 40.806 40.800 -0.075 0.000 0.992 159 D HN 0.270 nan 8.370 nan 0.000 0.502 160 R N -1.425 119.049 120.500 -0.043 0.000 3.922 160 R HA -0.207 4.133 4.340 -0.001 0.000 0.447 160 R C 0.903 177.180 176.300 -0.038 0.000 1.035 160 R CA 1.245 57.322 56.100 -0.038 0.000 1.289 160 R CB -2.365 27.918 30.300 -0.029 0.000 1.906 160 R HN 0.310 nan 8.270 nan 0.000 0.540 161 S N -0.821 114.854 115.700 -0.041 0.000 3.472 161 S HA 0.179 4.649 4.470 -0.001 0.000 0.247 161 S C 0.082 174.661 174.600 -0.035 0.000 1.084 161 S CA 0.168 58.348 58.200 -0.034 0.000 0.795 161 S CB 0.625 63.809 63.200 -0.027 0.000 0.892 161 S HN 0.241 nan 8.310 nan 0.000 0.513 162 S N 2.706 118.380 115.700 -0.044 0.000 2.546 162 S HA 0.406 4.875 4.470 -0.001 0.000 0.290 162 S C -0.171 174.404 174.600 -0.043 0.000 1.290 162 S CA 0.022 58.197 58.200 -0.041 0.000 1.069 162 S CB 0.572 63.731 63.200 -0.069 0.000 0.846 162 S HN 0.685 nan 8.310 nan 0.000 0.495 163 S N 1.130 116.816 115.700 -0.023 0.000 2.595 163 S HA 0.729 5.199 4.470 -0.001 0.000 0.281 163 S C -0.479 174.114 174.600 -0.012 0.000 1.117 163 S CA -1.066 57.116 58.200 -0.029 0.000 0.873 163 S CB 1.178 64.363 63.200 -0.025 0.000 1.108 163 S HN 0.707 nan 8.310 nan 0.000 0.477 164 V N 0.103 119.997 119.914 -0.034 0.000 2.539 164 V HA 0.967 5.087 4.120 -0.001 0.000 0.292 164 V C -0.123 175.982 176.094 0.018 0.000 1.045 164 V CA -0.175 62.089 62.300 -0.059 0.000 0.945 164 V CB 0.529 32.175 31.823 -0.294 0.000 0.993 164 V HN 1.427 nan 8.190 nan 0.000 0.464 165 S N 3.781 119.443 115.700 -0.063 0.000 2.570 165 S HA 0.754 5.223 4.470 -0.001 0.000 0.270 165 S C -1.122 173.273 174.600 -0.341 0.000 1.149 165 S CA -0.907 57.117 58.200 -0.293 0.000 0.837 165 S CB 1.728 64.827 63.200 -0.168 0.000 1.124 165 S HN 0.852 nan 8.310 nan 0.000 0.465 166 L N 2.069 122.907 121.223 -0.642 0.000 2.488 166 L HA 0.427 4.767 4.340 -0.001 0.000 0.250 166 L C -2.088 174.630 176.870 -0.254 0.000 1.280 166 L CA -1.613 53.038 54.840 -0.314 0.000 0.929 166 L CB 2.138 44.042 42.059 -0.258 0.000 1.200 166 L HN 0.592 nan 8.230 nan 0.000 0.495 167 P HA 0.048 nan 4.420 nan 0.000 0.253 167 P C 0.684 177.946 177.300 -0.063 0.000 1.260 167 P CA 0.202 63.238 63.100 -0.107 0.000 0.800 167 P CB 0.635 32.291 31.700 -0.073 0.000 1.162 168 E N 0.232 120.400 120.200 -0.053 0.000 2.070 168 E HA -0.143 4.207 4.350 -0.001 0.000 0.197 168 E C 2.068 178.661 176.600 -0.011 0.000 1.004 168 E CA 1.310 57.696 56.400 -0.023 0.000 0.805 168 E CB -1.217 28.483 29.700 -0.000 0.000 0.744 168 E HN 0.028 nan 8.360 nan 0.000 0.451 169 V N 1.309 121.210 119.914 -0.022 0.000 2.237 169 V HA -0.188 3.932 4.120 -0.001 0.000 0.245 169 V C -0.813 175.283 176.094 0.004 0.000 1.046 169 V CA 2.236 64.526 62.300 -0.016 0.000 1.007 169 V CB -1.444 30.361 31.823 -0.030 0.000 0.638 169 V HN 0.317 nan 8.190 nan 0.000 0.445 170 P HA -0.086 nan 4.420 nan 0.000 0.220 170 P C 1.766 179.109 177.300 0.073 0.000 1.152 170 P CA 1.265 64.390 63.100 0.042 0.000 0.812 170 P CB 0.160 31.872 31.700 0.020 0.000 0.792 171 L N -1.314 119.937 121.223 0.046 0.000 2.316 171 L HA 0.189 4.528 4.340 -0.001 0.000 0.207 171 L C 2.119 179.027 176.870 0.064 0.000 1.070 171 L CA 1.352 56.228 54.840 0.060 0.000 0.820 171 L CB -0.586 41.489 42.059 0.026 0.000 0.992 171 L HN -0.222 nan 8.230 nan 0.000 0.466 172 L N -1.139 120.104 121.223 0.034 0.000 2.731 172 L HA 0.398 4.738 4.340 -0.001 0.000 0.240 172 L C 1.310 178.232 176.870 0.087 0.000 1.120 172 L CA 0.500 55.359 54.840 0.031 0.000 0.913 172 L CB -0.211 41.835 42.059 -0.021 0.000 1.213 172 L HN 0.384 nan 8.230 nan 0.000 0.515 173 G N 1.904 110.755 108.800 0.086 0.000 2.225 173 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.267 173 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.267 173 G C 0.164 175.082 174.900 0.030 0.000 1.024 173 G CA 0.625 45.748 45.100 0.039 0.000 0.784 173 G HN 0.341 nan 8.290 nan 0.000 0.507 174 V N -3.576 116.364 119.914 0.044 0.000 3.156 174 V HA 0.892 5.012 4.120 -0.001 0.000 0.311 174 V C 0.661 176.759 176.094 0.005 0.000 1.208 174 V CA -1.707 60.618 62.300 0.042 0.000 1.063 174 V CB 1.776 33.684 31.823 0.141 0.000 1.098 174 V HN 0.309 nan 8.190 nan 0.000 0.452 175 L N 0.231 121.437 121.223 -0.027 0.000 2.416 175 L HA 0.538 4.877 4.340 -0.001 0.000 0.262 175 L C -2.327 174.543 176.870 -0.001 0.000 1.093 175 L CA -1.868 52.959 54.840 -0.023 0.000 0.801 175 L CB 1.070 43.107 42.059 -0.036 0.000 1.191 175 L HN 0.429 nan 8.230 nan 0.000 0.459 176 P HA 0.052 nan 4.420 nan 0.000 0.264 176 P C 0.460 177.769 177.300 0.015 0.000 1.537 176 P CA 0.193 63.315 63.100 0.037 0.000 1.189 176 P CB 0.306 32.044 31.700 0.063 0.000 1.687 177 G N 1.787 110.594 108.800 0.013 0.000 3.042 177 G HA2 -0.044 3.915 3.960 -0.001 0.000 0.212 177 G HA3 -0.044 3.915 3.960 -0.001 0.000 0.212 177 G C 0.537 175.421 174.900 -0.027 0.000 1.166 177 G CA 0.031 45.118 45.100 -0.022 0.000 0.767 177 G HN 0.297 nan 8.290 nan 0.000 0.546 178 T N 1.064 115.613 114.554 -0.009 0.000 3.419 178 T HA 0.433 4.783 4.350 -0.001 0.000 0.228 178 T C 1.585 176.230 174.700 -0.090 0.000 0.939 178 T CA 0.359 62.427 62.100 -0.052 0.000 0.992 178 T CB -0.059 68.804 68.868 -0.008 0.000 1.186 178 T HN 0.704 nan 8.240 nan 0.000 0.612 179 G N 0.995 109.725 108.800 -0.117 0.000 2.184 179 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.264 179 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.264 179 G C 1.207 176.064 174.900 -0.073 0.000 0.975 179 G CA 0.166 45.186 45.100 -0.133 0.000 0.642 179 G HN 0.735 nan 8.290 nan 0.000 0.536 180 G N 0.608 109.392 108.800 -0.027 0.000 2.480 180 G HA2 -0.084 3.876 3.960 -0.001 0.000 0.216 180 G HA3 -0.084 3.876 3.960 -0.001 0.000 0.216 180 G C 1.821 176.751 174.900 0.051 0.000 1.200 180 G CA 1.305 46.422 45.100 0.027 0.000 0.782 180 G HN 0.658 nan 8.290 nan 0.000 0.554 181 L N 0.469 121.712 121.223 0.034 0.000 2.046 181 L HA -0.083 4.257 4.340 -0.001 0.000 0.208 181 L C 3.191 180.071 176.870 0.016 0.000 1.077 181 L CA 1.664 56.528 54.840 0.040 0.000 0.747 181 L CB -0.992 41.071 42.059 0.007 0.000 0.896 181 L HN 0.213 nan 8.230 nan 0.000 0.432 182 T N -0.894 113.648 114.554 -0.020 0.000 2.867 182 T HA -0.128 4.222 4.350 -0.001 0.000 0.268 182 T C 2.038 176.722 174.700 -0.026 0.000 1.057 182 T CA 0.996 63.076 62.100 -0.035 0.000 1.136 182 T CB -0.145 68.681 68.868 -0.070 0.000 0.874 182 T HN 0.289 nan 8.240 nan 0.000 0.466 183 R N 0.358 120.840 120.500 -0.031 0.000 2.090 183 R HA 0.059 4.398 4.340 -0.001 0.000 0.228 183 R C 2.523 178.825 176.300 0.002 0.000 1.110 183 R CA 0.613 56.694 56.100 -0.032 0.000 0.973 183 R CB -0.611 29.648 30.300 -0.069 0.000 0.869 183 R HN 0.224 nan 8.270 nan 0.000 0.440 184 V N 1.110 121.051 119.914 0.044 0.000 2.332 184 V HA -0.285 3.835 4.120 -0.001 0.000 0.248 184 V C 2.572 178.699 176.094 0.055 0.000 1.055 184 V CA 2.477 64.834 62.300 0.094 0.000 1.038 184 V CB -0.646 31.288 31.823 0.184 0.000 0.651 184 V HN 0.584 nan 8.190 nan 0.000 0.450 185 T N -2.430 112.146 114.554 0.037 0.000 2.814 185 T HA -0.094 4.255 4.350 -0.001 0.000 0.254 185 T C 1.500 176.205 174.700 0.009 0.000 1.037 185 T CA 1.282 63.395 62.100 0.022 0.000 1.143 185 T CB -0.384 68.491 68.868 0.012 0.000 0.866 185 T HN 0.386 nan 8.240 nan 0.000 0.431 186 D N 0.813 121.214 120.400 0.001 0.000 2.249 186 D HA 0.143 4.783 4.640 -0.001 0.000 0.205 186 D C 1.983 178.285 176.300 0.003 0.000 0.962 186 D CA 0.778 54.778 54.000 -0.001 0.000 0.860 186 D CB 0.060 40.855 40.800 -0.007 0.000 0.955 186 D HN 0.504 nan 8.370 nan 0.000 0.505 187 K N -0.185 120.216 120.400 0.001 0.000 2.225 187 K HA 0.106 4.425 4.320 -0.001 0.000 0.204 187 K C 1.677 178.281 176.600 0.006 0.000 1.047 187 K CA -0.028 56.259 56.287 0.001 0.000 0.970 187 K CB 0.525 33.018 32.500 -0.012 0.000 0.939 187 K HN -0.209 nan 8.250 nan 0.000 0.472 188 R N 1.241 121.748 120.500 0.010 0.000 2.200 188 R HA 0.076 4.415 4.340 -0.001 0.000 0.208 188 R C 0.029 176.336 176.300 0.012 0.000 1.033 188 R CA 0.368 56.479 56.100 0.018 0.000 1.000 188 R CB -0.037 30.286 30.300 0.038 0.000 0.906 188 R HN 0.171 nan 8.270 nan 0.000 0.462 189 K N 0.322 120.727 120.400 0.009 0.000 3.125 189 K HA -0.105 4.214 4.320 -0.001 0.000 0.268 189 K C -0.567 176.025 176.600 -0.014 0.000 1.078 189 K CA 0.384 56.672 56.287 0.000 0.000 0.775 189 K CB -2.528 29.971 32.500 -0.002 0.000 1.253 189 K HN 0.036 nan 8.250 nan 0.000 0.486 190 V N 1.180 121.088 119.914 -0.011 0.000 2.521 190 V HA 0.063 4.182 4.120 -0.001 0.000 0.286 190 V C 1.519 177.567 176.094 -0.075 0.000 1.034 190 V CA -0.166 62.105 62.300 -0.048 0.000 1.045 190 V CB 0.857 32.665 31.823 -0.026 0.000 0.974 190 V HN 0.264 nan 8.190 nan 0.000 0.480 191 R N 2.652 123.057 120.500 -0.160 0.000 2.538 191 R HA -0.023 4.317 4.340 -0.001 0.000 0.282 191 R C 1.637 177.821 176.300 -0.193 0.000 1.009 191 R CA 0.161 56.153 56.100 -0.181 0.000 1.063 191 R CB 0.293 30.427 30.300 -0.275 0.000 0.945 191 R HN 0.993 nan 8.270 nan 0.000 0.414 192 H N 1.992 120.998 119.070 -0.106 0.000 2.422 192 H HA -0.155 4.401 4.556 -0.001 0.000 0.298 192 H C 1.092 176.369 175.328 -0.085 0.000 1.098 192 H CA 1.817 57.818 56.048 -0.079 0.000 1.315 192 H CB 0.014 29.738 29.762 -0.064 0.000 1.382 192 H HN 0.764 nan 8.280 nan 0.000 0.523 193 D N 1.065 121.128 120.400 -0.563 0.000 2.183 193 D HA -0.131 4.508 4.640 -0.001 0.000 0.203 193 D C 2.020 178.167 176.300 -0.255 0.000 0.969 193 D CA 0.677 54.472 54.000 -0.342 0.000 0.842 193 D CB -0.397 40.167 40.800 -0.393 0.000 0.957 193 D HN 0.446 nan 8.370 nan 0.000 0.484 194 R N 0.639 120.902 120.500 -0.395 0.000 2.081 194 R HA 0.053 4.392 4.340 -0.001 0.000 0.235 194 R C 2.529 178.746 176.300 -0.137 0.000 1.131 194 R CA 1.396 57.162 56.100 -0.557 0.000 0.960 194 R CB -0.388 29.258 30.300 -1.090 0.000 0.856 194 R HN 0.248 nan 8.270 nan 0.000 0.436 195 A N 1.212 124.001 122.820 -0.052 0.000 1.972 195 A HA -0.231 4.089 4.320 -0.001 0.000 0.219 195 A C 1.916 179.605 177.584 0.176 0.000 1.169 195 A CA 1.691 53.813 52.037 0.142 0.000 0.635 195 A CB -0.517 18.552 19.000 0.115 0.000 0.810 195 A HN 0.345 nan 8.150 nan 0.000 0.446 196 D N 0.078 120.528 120.400 0.083 0.000 2.097 196 D HA -0.145 4.494 4.640 -0.001 0.000 0.195 196 D C 1.914 178.273 176.300 0.099 0.000 0.989 196 D CA 1.520 55.563 54.000 0.071 0.000 0.827 196 D CB -0.113 40.709 40.800 0.037 0.000 0.966 196 D HN 0.491 nan 8.370 nan 0.000 0.456 197 I N 0.263 120.908 120.570 0.126 0.000 2.163 197 I HA -0.279 3.891 4.170 -0.001 0.000 0.243 197 I C 2.434 178.705 176.117 0.256 0.000 1.085 197 I CA 0.858 62.272 61.300 0.190 0.000 1.347 197 I CB -0.408 37.754 38.000 0.270 0.000 1.044 197 I HN 0.019 nan 8.210 nan 0.000 0.408 198 F N 1.220 121.278 119.950 0.180 0.000 2.161 198 F HA -0.255 4.272 4.527 -0.000 0.000 0.300 198 F C 2.287 178.129 175.800 0.070 0.000 1.089 198 F CA 1.326 59.412 58.000 0.143 0.000 1.282 198 F CB -0.410 38.696 39.000 0.176 0.000 1.010 198 F HN 0.088 nan 8.300 nan 0.000 0.485 199 C N 0.202 119.519 119.300 0.029 0.000 2.613 199 C HA 0.154 4.613 4.460 -0.001 0.000 0.273 199 C C 1.717 176.665 174.990 -0.069 0.000 1.304 199 C CA 0.997 59.960 59.018 -0.091 0.000 1.702 199 C CB -1.963 25.785 27.740 0.014 0.000 1.792 199 C HN 0.643 nan 8.230 nan 0.000 0.588 200 T N -2.638 111.896 114.554 -0.033 0.000 3.231 200 T HA 0.363 4.712 4.350 -0.001 0.000 0.292 200 T C -0.181 174.511 174.700 -0.013 0.000 1.001 200 T CA -0.034 62.056 62.100 -0.016 0.000 0.920 200 T CB -0.346 68.527 68.868 0.009 0.000 1.140 200 T HN 0.228 nan 8.240 nan 0.000 0.525 201 V N -1.440 118.449 119.914 -0.043 0.000 2.656 201 V HA 0.698 4.818 4.120 -0.001 0.000 0.307 201 V C 0.960 177.008 176.094 -0.077 0.000 1.051 201 V CA -0.953 61.326 62.300 -0.035 0.000 0.893 201 V CB 1.730 33.550 31.823 -0.006 0.000 0.999 201 V HN -0.047 nan 8.190 nan 0.000 0.426 202 V N 2.591 122.478 119.914 -0.045 0.000 2.407 202 V HA -0.065 4.055 4.120 -0.001 0.000 0.245 202 V C 2.391 178.452 176.094 -0.055 0.000 1.041 202 V CA 2.158 64.429 62.300 -0.049 0.000 1.040 202 V CB -0.692 31.125 31.823 -0.010 0.000 0.671 202 V HN 1.047 nan 8.190 nan 0.000 0.455 203 E N 0.789 120.966 120.200 -0.039 0.000 2.268 203 E HA 0.217 4.566 4.350 -0.001 0.000 0.195 203 E C 1.436 178.011 176.600 -0.043 0.000 0.995 203 E CA 0.740 57.120 56.400 -0.033 0.000 0.836 203 E CB -0.585 29.101 29.700 -0.024 0.000 0.763 203 E HN 0.590 nan 8.360 nan 0.000 0.491 204 G N -0.478 108.286 108.800 -0.060 0.000 2.562 204 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.250 204 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.250 204 G C -0.413 174.499 174.900 0.020 0.000 1.269 204 G CA -0.172 44.915 45.100 -0.020 0.000 0.919 204 G HN 0.289 nan 8.290 nan 0.000 0.574 205 V N 1.298 121.234 119.914 0.037 0.000 2.888 205 V HA 0.809 4.928 4.120 -0.001 0.000 0.309 205 V C 0.332 176.357 176.094 -0.116 0.000 1.114 205 V CA -0.058 62.183 62.300 -0.099 0.000 0.940 205 V CB 1.840 33.541 31.823 -0.204 0.000 1.021 205 V HN 1.297 nan 8.190 nan 0.000 0.426 206 R N 2.260 122.675 120.500 -0.143 0.000 2.912 206 R HA 0.916 5.255 4.340 -0.001 0.000 0.262 206 R C 0.454 176.677 176.300 -0.129 0.000 1.057 206 R CA 0.011 56.042 56.100 -0.114 0.000 0.981 206 R CB 1.636 31.885 30.300 -0.085 0.000 1.201 206 R HN 1.377 nan 8.270 nan 0.000 0.484 207 G N 1.359 110.101 108.800 -0.098 0.000 2.574 207 G HA2 -0.431 3.528 3.960 -0.001 0.000 0.282 207 G HA3 -0.431 3.528 3.960 -0.001 0.000 0.282 207 G C 0.595 175.435 174.900 -0.101 0.000 1.257 207 G CA 0.792 45.840 45.100 -0.087 0.000 0.956 207 G HN 0.832 nan 8.290 nan 0.000 0.560 208 E N -0.002 120.145 120.200 -0.089 0.000 2.160 208 E HA -0.116 4.233 4.350 -0.001 0.000 0.195 208 E C 2.518 179.051 176.600 -0.111 0.000 0.991 208 E CA 2.118 58.469 56.400 -0.082 0.000 0.810 208 E CB -0.259 29.405 29.700 -0.060 0.000 0.742 208 E HN 0.561 nan 8.360 nan 0.000 0.466 209 R N -0.447 119.948 120.500 -0.175 0.000 2.096 209 R HA -0.087 4.253 4.340 -0.001 0.000 0.235 209 R C 2.155 178.260 176.300 -0.326 0.000 1.127 209 R CA 1.310 57.231 56.100 -0.299 0.000 0.968 209 R CB -0.368 29.649 30.300 -0.471 0.000 0.861 209 R HN 0.236 nan 8.270 nan 0.000 0.440 210 A N 1.100 123.763 122.820 -0.261 0.000 1.940 210 A HA -0.231 4.088 4.320 -0.001 0.000 0.219 210 A C 2.059 179.584 177.584 -0.098 0.000 1.176 210 A CA 1.751 53.665 52.037 -0.205 0.000 0.631 210 A CB -0.470 18.427 19.000 -0.171 0.000 0.814 210 A HN 0.400 nan 8.150 nan 0.000 0.446 211 K N -0.470 119.883 120.400 -0.078 0.000 2.031 211 K HA -0.001 4.318 4.320 -0.001 0.000 0.205 211 K C 2.158 178.765 176.600 0.011 0.000 1.049 211 K CA 1.101 57.363 56.287 -0.041 0.000 0.939 211 K CB -0.325 32.138 32.500 -0.061 0.000 0.717 211 K HN 0.338 nan 8.250 nan 0.000 0.438 212 A N 0.303 123.143 122.820 0.033 0.000 1.933 212 A HA -0.145 4.174 4.320 -0.001 0.000 0.218 212 A C 1.428 179.156 177.584 0.240 0.000 1.175 212 A CA 1.146 53.251 52.037 0.113 0.000 0.628 212 A CB -0.811 18.265 19.000 0.127 0.000 0.814 212 A HN 0.535 nan 8.150 nan 0.000 0.444 213 W N -0.831 120.413 121.300 -0.094 0.000 3.077 213 W HA 0.231 4.890 4.660 -0.001 0.000 0.245 213 W C 0.867 177.317 176.519 -0.115 0.000 1.316 213 W CA 0.374 57.651 57.345 -0.112 0.000 1.537 213 W CB -0.324 29.042 29.460 -0.157 0.000 1.131 213 W HN 0.439 nan 8.180 nan 0.000 0.695 214 R N -1.741 118.821 120.500 0.102 0.000 3.854 214 R HA -0.226 4.114 4.340 -0.001 0.000 0.430 214 R C 0.934 177.253 176.300 0.031 0.000 1.068 214 R CA 0.848 56.971 56.100 0.039 0.000 1.104 214 R CB -2.153 28.157 30.300 0.017 0.000 1.729 214 R HN 0.231 nan 8.270 nan 0.000 0.533 215 L N 0.309 121.535 121.223 0.005 0.000 2.240 215 L HA 0.067 4.406 4.340 -0.001 0.000 0.211 215 L C 1.248 178.179 176.870 0.102 0.000 1.106 215 L CA 1.022 55.857 54.840 -0.008 0.000 0.793 215 L CB 0.191 42.071 42.059 -0.299 0.000 0.927 215 L HN 0.184 nan 8.230 nan 0.000 0.446 216 V N -6.114 113.820 119.914 0.034 0.000 3.160 216 V HA 0.398 4.518 4.120 -0.001 0.000 0.310 216 V C -0.164 175.922 176.094 -0.012 0.000 1.181 216 V CA -0.840 61.485 62.300 0.042 0.000 1.047 216 V CB 2.050 33.885 31.823 0.020 0.000 1.068 216 V HN -0.090 nan 8.190 nan 0.000 0.441 217 D N 0.090 120.468 120.400 -0.037 0.000 2.216 217 D HA 0.182 4.821 4.640 -0.001 0.000 0.208 217 D C 0.182 176.336 176.300 -0.242 0.000 0.960 217 D CA 1.042 54.988 54.000 -0.091 0.000 0.861 217 D CB 0.629 41.419 40.800 -0.017 0.000 0.985 217 D HN 0.720 nan 8.370 nan 0.000 0.493 218 E N 0.236 120.173 120.200 -0.438 0.000 2.390 218 E HA 0.355 4.704 4.350 -0.001 0.000 0.277 218 E C -0.768 175.630 176.600 -0.338 0.000 0.939 218 E CA -0.817 55.268 56.400 -0.525 0.000 0.769 218 E CB 3.183 32.254 29.700 -1.047 0.000 1.251 218 E HN -0.111 nan 8.360 nan 0.000 0.450 219 V N -1.516 118.292 119.914 -0.178 0.000 2.604 219 V HA 0.841 4.960 4.120 -0.001 0.000 0.305 219 V C -0.587 175.521 176.094 0.024 0.000 1.043 219 V CA -0.659 61.617 62.300 -0.040 0.000 0.888 219 V CB 1.727 33.526 31.823 -0.040 0.000 0.995 219 V HN 0.367 nan 8.190 nan 0.000 0.429 220 V N 3.789 123.799 119.914 0.160 0.000 2.760 220 V HA 0.485 4.605 4.120 -0.001 0.000 0.309 220 V C 0.145 176.365 176.094 0.209 0.000 1.077 220 V CA -0.981 61.441 62.300 0.202 0.000 0.910 220 V CB 1.932 33.933 31.823 0.296 0.000 1.008 220 V HN 0.991 nan 8.190 nan 0.000 0.424 221 K N 4.578 125.054 120.400 0.126 0.000 2.414 221 K HA 0.151 4.470 4.320 -0.001 0.000 0.272 221 K C -1.530 175.141 176.600 0.119 0.000 0.993 221 K CA -1.153 55.185 56.287 0.085 0.000 0.964 221 K CB 0.816 33.349 32.500 0.054 0.000 0.925 221 K HN 0.375 nan 8.250 nan 0.000 0.487 222 P HA -0.228 nan 4.420 nan 0.000 0.216 222 P C 0.552 177.917 177.300 0.109 0.000 1.150 222 P CA 1.706 64.838 63.100 0.053 0.000 0.843 222 P CB -0.174 31.522 31.700 -0.007 0.000 0.787 223 N N -0.403 118.345 118.700 0.081 0.000 2.459 223 N HA -0.137 4.602 4.740 -0.001 0.000 0.181 223 N C 1.422 176.986 175.510 0.090 0.000 1.046 223 N CA 0.440 53.535 53.050 0.074 0.000 0.904 223 N CB -0.448 38.068 38.487 0.049 0.000 0.964 223 N HN 0.162 nan 8.380 nan 0.000 0.444 224 Q N -0.973 118.898 119.800 0.117 0.000 2.217 224 Q HA 0.079 4.418 4.340 -0.001 0.000 0.217 224 Q C 0.877 176.964 176.000 0.144 0.000 0.844 224 Q CA -0.261 55.606 55.803 0.107 0.000 0.957 224 Q CB -0.317 28.472 28.738 0.085 0.000 1.127 224 Q HN 0.362 nan 8.270 nan 0.000 0.503 225 F N 3.529 123.506 119.950 0.045 0.000 2.075 225 F HA -0.178 4.349 4.527 -0.001 0.000 0.297 225 F C 1.370 177.201 175.800 0.051 0.000 1.113 225 F CA 1.920 59.956 58.000 0.061 0.000 1.218 225 F CB 0.114 39.150 39.000 0.058 0.000 0.984 225 F HN -0.047 nan 8.300 nan 0.000 0.472 226 D N -0.102 120.381 120.400 0.139 0.000 2.117 226 D HA -0.191 4.448 4.640 -0.001 0.000 0.197 226 D C 2.154 178.415 176.300 -0.066 0.000 0.987 226 D CA 1.472 55.484 54.000 0.020 0.000 0.829 226 D CB -0.486 40.369 40.800 0.092 0.000 0.961 226 D HN 0.404 nan 8.370 nan 0.000 0.460 227 Q N 0.607 120.393 119.800 -0.024 0.000 2.084 227 Q HA -0.020 4.319 4.340 -0.001 0.000 0.202 227 Q C 2.167 178.122 176.000 -0.075 0.000 0.978 227 Q CA 1.644 57.426 55.803 -0.035 0.000 0.844 227 Q CB -0.333 28.404 28.738 -0.002 0.000 0.898 227 Q HN 0.264 nan 8.270 nan 0.000 0.426 228 A N 0.564 123.329 122.820 -0.091 0.000 1.930 228 A HA -0.150 4.170 4.320 -0.001 0.000 0.217 228 A C 1.966 179.408 177.584 -0.238 0.000 1.175 228 A CA 1.100 53.080 52.037 -0.096 0.000 0.627 228 A CB -0.490 18.507 19.000 -0.006 0.000 0.815 228 A HN 0.265 nan 8.150 nan 0.000 0.443 229 I N -0.263 120.079 120.570 -0.382 0.000 2.142 229 I HA -0.232 3.937 4.170 -0.001 0.000 0.240 229 I C 2.668 178.610 176.117 -0.291 0.000 1.078 229 I CA 2.067 63.090 61.300 -0.461 0.000 1.343 229 I CB -1.372 36.336 38.000 -0.488 0.000 1.046 229 I HN 0.459 nan 8.210 nan 0.000 0.405 230 Q N 1.289 120.974 119.800 -0.190 0.000 2.084 230 Q HA -0.113 4.226 4.340 -0.001 0.000 0.202 230 Q C 2.202 178.129 176.000 -0.122 0.000 0.978 230 Q CA 2.282 58.007 55.803 -0.131 0.000 0.844 230 Q CB -0.319 28.369 28.738 -0.083 0.000 0.898 230 Q HN 0.449 nan 8.270 nan 0.000 0.426 231 A N 0.183 122.934 122.820 -0.115 0.000 1.902 231 A HA -0.176 4.144 4.320 -0.001 0.000 0.217 231 A C 2.146 179.666 177.584 -0.106 0.000 1.181 231 A CA 1.771 53.756 52.037 -0.086 0.000 0.623 231 A CB -0.584 18.382 19.000 -0.057 0.000 0.818 231 A HN 0.332 nan 8.150 nan 0.000 0.443 232 R N 0.161 120.561 120.500 -0.167 0.000 2.092 232 R HA 0.049 4.388 4.340 -0.001 0.000 0.231 232 R C 2.130 178.322 176.300 -0.180 0.000 1.119 232 R CA 1.753 57.739 56.100 -0.190 0.000 0.970 232 R CB -0.940 29.131 30.300 -0.383 0.000 0.864 232 R HN 0.384 nan 8.270 nan 0.000 0.440 233 A N 0.602 123.304 122.820 -0.198 0.000 1.908 233 A HA -0.130 4.190 4.320 -0.001 0.000 0.218 233 A C 2.243 179.756 177.584 -0.117 0.000 1.181 233 A CA 1.617 53.559 52.037 -0.157 0.000 0.627 233 A CB -0.689 18.222 19.000 -0.148 0.000 0.818 233 A HN 0.361 nan 8.150 nan 0.000 0.445 234 L N -0.851 120.313 121.223 -0.100 0.000 2.083 234 L HA -0.210 4.130 4.340 -0.001 0.000 0.209 234 L C 2.597 179.426 176.870 -0.069 0.000 1.083 234 L CA 1.627 56.421 54.840 -0.077 0.000 0.752 234 L CB -0.603 41.418 42.059 -0.063 0.000 0.899 234 L HN 0.499 nan 8.230 nan 0.000 0.433 235 E N 0.165 120.325 120.200 -0.067 0.000 2.072 235 E HA -0.197 4.152 4.350 -0.001 0.000 0.191 235 E C 2.319 178.887 176.600 -0.053 0.000 0.985 235 E CA 0.972 57.342 56.400 -0.050 0.000 0.801 235 E CB -0.101 29.577 29.700 -0.037 0.000 0.750 235 E HN 0.454 nan 8.360 nan 0.000 0.452 236 L N 0.522 121.704 121.223 -0.070 0.000 2.201 236 L HA -0.111 4.229 4.340 -0.001 0.000 0.212 236 L C 2.483 179.306 176.870 -0.078 0.000 1.105 236 L CA 0.634 55.432 54.840 -0.070 0.000 0.775 236 L CB -0.335 41.672 42.059 -0.086 0.000 0.913 236 L HN 0.143 nan 8.230 nan 0.000 0.440 237 A N 0.113 122.881 122.820 -0.086 0.000 1.969 237 A HA -0.109 4.210 4.320 -0.001 0.000 0.218 237 A C 2.498 180.039 177.584 -0.072 0.000 1.169 237 A CA 1.442 53.426 52.037 -0.088 0.000 0.635 237 A CB -0.520 18.427 19.000 -0.089 0.000 0.810 237 A HN 0.376 nan 8.150 nan 0.000 0.445 238 A N -0.621 122.164 122.820 -0.058 0.000 2.067 238 A HA -0.159 4.160 4.320 -0.001 0.000 0.219 238 A C 1.977 179.537 177.584 -0.040 0.000 1.158 238 A CA 1.431 53.440 52.037 -0.047 0.000 0.661 238 A CB -0.454 18.524 19.000 -0.037 0.000 0.801 238 A HN 0.675 nan 8.150 nan 0.000 0.452 239 Q N -0.295 119.480 119.800 -0.041 0.000 2.297 239 Q HA 0.009 4.348 4.340 -0.001 0.000 0.204 239 Q C 1.134 177.114 176.000 -0.034 0.000 0.962 239 Q CA 0.606 56.389 55.803 -0.033 0.000 0.879 239 Q CB -0.046 28.672 28.738 -0.032 0.000 0.947 239 Q HN 0.540 nan 8.270 nan 0.000 0.462 240 S N 0.966 116.638 115.700 -0.047 0.000 2.603 240 S HA 0.018 4.488 4.470 -0.001 0.000 0.268 240 S C 0.256 174.832 174.600 -0.040 0.000 1.317 240 S CA -0.412 57.760 58.200 -0.048 0.000 1.012 240 S CB 0.697 63.855 63.200 -0.071 0.000 0.926 240 S HN 0.334 nan 8.310 nan 0.000 0.539 241 D N 1.479 121.862 120.400 -0.028 0.000 2.431 241 D HA 0.099 4.739 4.640 -0.001 0.000 0.213 241 D C 0.170 176.446 176.300 -0.040 0.000 1.130 241 D CA -0.261 53.726 54.000 -0.022 0.000 0.834 241 D CB -0.135 40.669 40.800 0.007 0.000 0.985 241 D HN 0.323 nan 8.370 nan 0.000 0.504 242 R N 1.706 122.165 120.500 -0.068 0.000 2.679 242 R HA 0.225 4.565 4.340 -0.001 0.000 0.268 242 R C -2.117 174.063 176.300 -0.201 0.000 1.044 242 R CA -0.861 55.161 56.100 -0.130 0.000 1.105 242 R CB 0.085 30.291 30.300 -0.157 0.000 0.989 242 R HN 0.142 nan 8.270 nan 0.000 0.447 243 P HA 0.091 nan 4.420 nan 0.000 0.287 243 P C -0.411 176.689 177.300 -0.333 0.000 1.307 243 P CA -0.064 62.872 63.100 -0.273 0.000 0.777 243 P CB 1.605 33.145 31.700 -0.267 0.000 0.883 244 A N 3.628 126.251 122.820 -0.328 0.000 2.125 244 A HA -0.161 4.158 4.320 -0.001 0.000 0.219 244 A C 1.226 178.503 177.584 -0.513 0.000 1.156 244 A CA 1.255 53.027 52.037 -0.442 0.000 0.671 244 A CB -1.001 17.684 19.000 -0.524 0.000 0.794 244 A HN 0.600 nan 8.150 nan 0.000 0.459 245 H N -1.165 117.827 119.070 -0.130 0.000 2.594 245 H HA 0.480 5.035 4.556 -0.001 0.000 0.279 245 H C 0.769 176.031 175.328 -0.110 0.000 1.042 245 H CA 0.236 56.224 56.048 -0.100 0.000 1.177 245 H CB -0.240 29.485 29.762 -0.063 0.000 1.524 245 H HN 0.493 nan 8.280 nan 0.000 0.537 246 A N 1.323 124.077 122.820 -0.110 0.000 2.304 246 A HA 0.290 4.609 4.320 -0.001 0.000 0.271 246 A C 0.500 178.014 177.584 -0.117 0.000 1.091 246 A CA -0.555 51.420 52.037 -0.104 0.000 0.812 246 A CB 0.830 19.705 19.000 -0.209 0.000 1.056 246 A HN 0.096 nan 8.150 nan 0.000 0.489 247 Q N 0.420 120.203 119.800 -0.029 0.000 2.299 247 Q HA 0.389 4.728 4.340 -0.001 0.000 0.246 247 Q C 0.667 176.656 176.000 -0.018 0.000 0.935 247 Q CA 0.259 56.035 55.803 -0.046 0.000 0.887 247 Q CB 1.036 29.763 28.738 -0.018 0.000 1.223 247 Q HN 0.866 nan 8.270 nan 0.000 0.439 248 G N 0.240 108.985 108.800 -0.092 0.000 2.634 248 G HA2 0.340 4.300 3.960 -0.001 0.000 0.255 248 G HA3 0.340 4.300 3.960 -0.001 0.000 0.255 248 G C -0.636 174.303 174.900 0.066 0.000 1.205 248 G CA -0.455 44.640 45.100 -0.009 0.000 0.884 248 G HN 0.358 nan 8.290 nan 0.000 0.549 249 V N 2.759 122.765 119.914 0.153 0.000 2.328 249 V HA 0.275 4.394 4.120 -0.001 0.000 0.278 249 V C -1.938 174.198 176.094 0.069 0.000 1.021 249 V CA -1.380 60.927 62.300 0.013 0.000 0.838 249 V CB 1.611 33.333 31.823 -0.168 0.000 0.999 249 V HN 0.564 nan 8.190 nan 0.000 0.447 250 P HA 0.177 nan 4.420 nan 0.000 0.271 250 P C -0.414 176.902 177.300 0.027 0.000 1.220 250 P CA -0.009 63.100 63.100 0.015 0.000 0.768 250 P CB 0.502 32.199 31.700 -0.006 0.000 0.848 251 L N 3.680 124.923 121.223 0.033 0.000 2.375 251 L HA 0.151 4.490 4.340 -0.001 0.000 0.276 251 L C 1.309 178.185 176.870 0.010 0.000 1.162 251 L CA -0.354 54.485 54.840 -0.002 0.000 0.991 251 L CB -0.634 41.415 42.059 -0.017 0.000 1.315 251 L HN 0.414 nan 8.230 nan 0.000 0.431 252 T N -0.118 114.442 114.554 0.010 0.000 2.726 252 T HA 0.200 4.550 4.350 -0.001 0.000 0.294 252 T C 0.600 175.315 174.700 0.025 0.000 1.013 252 T CA -0.877 61.234 62.100 0.019 0.000 0.996 252 T CB 0.550 69.430 68.868 0.020 0.000 1.016 252 T HN 0.636 nan 8.240 nan 0.000 0.529 253 R N 0.103 120.622 120.500 0.032 0.000 2.698 253 R HA 0.218 4.558 4.340 -0.001 0.000 0.266 253 R C -0.532 175.798 176.300 0.049 0.000 1.026 253 R CA -0.311 55.815 56.100 0.042 0.000 1.102 253 R CB -0.217 30.107 30.300 0.040 0.000 0.978 253 R HN 0.663 nan 8.270 nan 0.000 0.436 254 I N 2.305 122.915 120.570 0.067 0.000 2.297 254 I HA 0.056 4.225 4.170 -0.001 0.000 0.291 254 I C 0.190 176.365 176.117 0.097 0.000 1.033 254 I CA -0.652 60.705 61.300 0.095 0.000 1.253 254 I CB 1.212 39.290 38.000 0.129 0.000 1.396 254 I HN 0.702 nan 8.210 nan 0.000 0.476 255 E N 8.193 128.446 120.200 0.087 0.000 2.324 255 E HA 0.226 4.576 4.350 -0.001 0.000 0.271 255 E C -0.597 176.005 176.600 0.004 0.000 1.028 255 E CA 0.005 56.433 56.400 0.046 0.000 0.890 255 E CB 0.664 30.390 29.700 0.043 0.000 1.004 255 E HN 0.487 nan 8.360 nan 0.000 0.431 256 R N 3.226 123.671 120.500 -0.093 0.000 2.522 256 R HA 0.306 4.646 4.340 -0.001 0.000 0.283 256 R C -1.280 174.888 176.300 -0.219 0.000 1.074 256 R CA -0.506 55.411 56.100 -0.304 0.000 0.925 256 R CB 1.445 31.510 30.300 -0.391 0.000 1.205 256 R HN 0.618 nan 8.270 nan 0.000 0.436 257 T N 2.966 117.381 114.554 -0.233 0.000 2.743 257 T HA 0.191 4.541 4.350 -0.001 0.000 0.293 257 T C -0.706 173.894 174.700 -0.167 0.000 0.945 257 T CA -0.462 61.548 62.100 -0.150 0.000 1.030 257 T CB 0.836 69.641 68.868 -0.105 0.000 0.912 257 T HN 0.347 nan 8.240 nan 0.000 0.483 258 D N 4.053 124.385 120.400 -0.113 0.000 2.347 258 D HA 0.223 4.862 4.640 -0.001 0.000 0.235 258 D C 0.525 176.787 176.300 -0.063 0.000 1.149 258 D CA -0.206 53.740 54.000 -0.090 0.000 0.850 258 D CB 0.998 41.765 40.800 -0.055 0.000 1.061 258 D HN 0.402 nan 8.370 nan 0.000 0.487 259 R N 1.255 121.716 120.500 -0.066 0.000 2.691 259 R HA 0.208 4.548 4.340 -0.001 0.000 0.259 259 R C 1.272 177.553 176.300 -0.032 0.000 1.048 259 R CA -0.874 55.199 56.100 -0.046 0.000 1.086 259 R CB 1.401 31.672 30.300 -0.049 0.000 1.166 259 R HN 0.252 nan 8.270 nan 0.000 0.526 260 E N 1.521 121.708 120.200 -0.021 0.000 2.153 260 E HA -0.190 4.160 4.350 -0.001 0.000 0.194 260 E C 0.194 176.786 176.600 -0.013 0.000 0.988 260 E CA 1.542 57.935 56.400 -0.012 0.000 0.811 260 E CB 0.150 29.846 29.700 -0.007 0.000 0.746 260 E HN 0.668 nan 8.360 nan 0.000 0.466 261 D N -1.344 119.043 120.400 -0.021 0.000 2.501 261 D HA 0.247 4.887 4.640 -0.001 0.000 0.226 261 D C 0.705 176.981 176.300 -0.041 0.000 1.198 261 D CA 0.346 54.333 54.000 -0.022 0.000 0.830 261 D CB 0.449 41.239 40.800 -0.016 0.000 1.014 261 D HN 0.192 nan 8.370 nan 0.000 0.496 262 G N -0.207 108.560 108.800 -0.055 0.000 2.334 262 G HA2 0.270 4.230 3.960 -0.001 0.000 0.249 262 G HA3 0.270 4.230 3.960 -0.001 0.000 0.249 262 G C -2.081 172.755 174.900 -0.107 0.000 1.327 262 G CA -0.859 44.187 45.100 -0.090 0.000 0.979 262 G HN 0.154 nan 8.290 nan 0.000 0.471 263 L N 0.160 121.301 121.223 -0.136 0.000 2.431 263 L HA 0.664 5.004 4.340 -0.001 0.000 0.266 263 L C -0.586 176.167 176.870 -0.195 0.000 0.978 263 L CA -0.750 53.970 54.840 -0.199 0.000 0.822 263 L CB 2.713 44.661 42.059 -0.186 0.000 1.310 263 L HN 0.561 nan 8.230 nan 0.000 0.409 264 T N 1.491 115.879 114.554 -0.277 0.000 2.791 264 T HA 0.623 4.972 4.350 -0.001 0.000 0.288 264 T C -1.003 173.535 174.700 -0.271 0.000 0.999 264 T CA -0.339 61.660 62.100 -0.169 0.000 0.952 264 T CB 0.482 69.291 68.868 -0.098 0.000 0.938 264 T HN 0.202 nan 8.240 nan 0.000 0.444 265 Y N 0.724 121.022 120.300 -0.003 0.000 2.630 265 Y HA 0.421 4.971 4.550 -0.001 0.000 0.337 265 Y C 1.622 177.544 175.900 0.037 0.000 1.051 265 Y CA -1.360 56.748 58.100 0.014 0.000 1.121 265 Y CB 1.352 39.820 38.460 0.014 0.000 1.299 265 Y HN 0.384 nan 8.280 nan 0.000 0.498 266 K N -0.284 120.250 120.400 0.224 0.000 2.032 266 K HA -0.140 4.180 4.320 -0.001 0.000 0.209 266 K C 1.306 178.019 176.600 0.188 0.000 1.048 266 K CA 2.183 58.567 56.287 0.163 0.000 0.927 266 K CB -0.233 32.350 32.500 0.137 0.000 0.712 266 K HN 0.807 nan 8.250 nan 0.000 0.441 267 T N -1.693 112.990 114.554 0.215 0.000 3.092 267 T HA 0.315 4.665 4.350 -0.001 0.000 0.258 267 T C -0.109 174.750 174.700 0.265 0.000 1.031 267 T CA -0.473 61.792 62.100 0.275 0.000 0.925 267 T CB 0.204 69.264 68.868 0.320 0.000 1.036 267 T HN -0.019 nan 8.240 nan 0.000 0.544 268 L N 0.818 122.171 121.223 0.216 0.000 2.611 268 L HA 0.649 4.989 4.340 -0.001 0.000 0.260 268 L C -2.283 174.708 176.870 0.203 0.000 0.924 268 L CA -0.572 54.374 54.840 0.176 0.000 0.901 268 L CB 2.383 44.490 42.059 0.081 0.000 1.369 268 L HN 0.124 nan 8.230 nan 0.000 0.415 269 D N 2.893 123.358 120.400 0.108 0.000 2.192 269 D HA 0.664 5.304 4.640 -0.001 0.000 0.246 269 D C -1.406 174.869 176.300 -0.042 0.000 1.042 269 D CA -0.250 53.781 54.000 0.052 0.000 0.847 269 D CB 1.927 42.743 40.800 0.026 0.000 1.186 269 D HN 0.369 nan 8.370 nan 0.000 0.461 270 V N 3.388 123.227 119.914 -0.124 0.000 2.409 270 V HA 0.457 4.577 4.120 -0.001 0.000 0.291 270 V C -0.061 175.916 176.094 -0.195 0.000 1.020 270 V CA -0.623 61.480 62.300 -0.327 0.000 0.848 270 V CB 1.675 33.150 31.823 -0.581 0.000 0.990 270 V HN 0.674 nan 8.190 nan 0.000 0.430 271 T N 6.360 120.827 114.554 -0.146 0.000 2.792 271 T HA 0.645 4.995 4.350 -0.001 0.000 0.280 271 T C -0.281 174.384 174.700 -0.059 0.000 0.990 271 T CA -0.174 61.880 62.100 -0.076 0.000 0.960 271 T CB 1.044 69.894 68.868 -0.029 0.000 0.939 271 T HN 0.389 nan 8.240 nan 0.000 0.439 272 I N 2.891 123.435 120.570 -0.043 0.000 2.359 272 I HA 0.317 4.487 4.170 -0.001 0.000 0.294 272 I C -0.019 176.102 176.117 0.007 0.000 0.987 272 I CA -0.687 60.605 61.300 -0.013 0.000 1.225 272 I CB 1.250 39.244 38.000 -0.010 0.000 1.366 272 I HN 0.476 nan 8.210 nan 0.000 0.466 273 D N 6.510 126.923 120.400 0.022 0.000 2.427 273 D HA 0.228 4.868 4.640 -0.001 0.000 0.226 273 D C 0.880 177.195 176.300 0.025 0.000 1.076 273 D CA -0.364 53.649 54.000 0.022 0.000 0.849 273 D CB 1.058 41.874 40.800 0.025 0.000 1.052 273 D HN 0.458 nan 8.370 nan 0.000 0.515 274 R N 2.320 122.832 120.500 0.021 0.000 2.153 274 R HA 0.007 4.347 4.340 -0.001 0.000 0.218 274 R C 1.784 178.097 176.300 0.020 0.000 1.072 274 R CA 0.906 57.021 56.100 0.024 0.000 0.990 274 R CB 0.168 30.481 30.300 0.022 0.000 0.889 274 R HN 0.388 nan 8.270 nan 0.000 0.452 275 A N 1.602 124.432 122.820 0.017 0.000 1.897 275 A HA -0.110 4.210 4.320 -0.001 0.000 0.215 275 A C 1.768 179.359 177.584 0.011 0.000 1.181 275 A CA 1.104 53.149 52.037 0.013 0.000 0.620 275 A CB -0.045 18.962 19.000 0.012 0.000 0.821 275 A HN 0.141 nan 8.150 nan 0.000 0.443 276 K N -1.242 119.165 120.400 0.013 0.000 2.400 276 K HA 0.105 4.425 4.320 -0.001 0.000 0.194 276 K C -0.216 176.387 176.600 0.005 0.000 1.033 276 K CA 0.146 56.437 56.287 0.008 0.000 1.021 276 K CB 0.137 32.643 32.500 0.010 0.000 0.808 276 K HN 0.378 nan 8.250 nan 0.000 0.505 277 R N 0.582 121.092 120.500 0.017 0.000 3.332 277 R HA -0.164 4.176 4.340 -0.001 0.000 0.263 277 R C -0.918 175.403 176.300 0.034 0.000 1.053 277 R CA 0.543 56.658 56.100 0.025 0.000 0.705 277 R CB -2.304 28.003 30.300 0.011 0.000 1.166 277 R HN 0.225 nan 8.270 nan 0.000 0.427 278 I N 0.024 120.623 120.570 0.048 0.000 2.545 278 I HA 0.562 4.732 4.170 -0.001 0.000 0.292 278 I C 0.157 176.335 176.117 0.103 0.000 1.040 278 I CA -0.842 60.501 61.300 0.071 0.000 1.068 278 I CB 2.163 40.188 38.000 0.041 0.000 1.251 278 I HN 0.162 nan 8.210 nan 0.000 0.424 279 A N 3.847 126.774 122.820 0.179 0.000 2.287 279 A HA 0.733 5.053 4.320 -0.001 0.000 0.317 279 A C -0.366 177.305 177.584 0.144 0.000 1.220 279 A CA -0.428 51.672 52.037 0.105 0.000 0.835 279 A CB 0.779 19.820 19.000 0.067 0.000 1.180 279 A HN 0.635 nan 8.150 nan 0.000 0.500 280 T N 2.951 117.546 114.554 0.068 0.000 2.749 280 T HA 0.465 4.815 4.350 -0.001 0.000 0.287 280 T C -0.696 174.070 174.700 0.110 0.000 0.970 280 T CA 0.304 62.493 62.100 0.149 0.000 0.980 280 T CB -0.183 68.752 68.868 0.111 0.000 0.924 280 T HN 0.367 nan 8.240 nan 0.000 0.456 281 F N 2.314 122.302 119.950 0.064 0.000 2.391 281 F HA 0.317 4.843 4.527 -0.001 0.000 0.359 281 F C 1.067 176.899 175.800 0.053 0.000 1.122 281 F CA -0.772 57.272 58.000 0.073 0.000 1.120 281 F CB 1.134 40.260 39.000 0.211 0.000 1.142 281 F HN 0.346 nan 8.300 nan 0.000 0.483 282 T N 3.806 118.434 114.554 0.124 0.000 2.801 282 T HA 0.550 4.899 4.350 -0.001 0.000 0.306 282 T C -0.024 174.649 174.700 -0.045 0.000 1.020 282 T CA -0.566 61.552 62.100 0.031 0.000 0.948 282 T CB 0.821 69.710 68.868 0.035 0.000 0.962 282 T HN 0.629 nan 8.240 nan 0.000 0.465 283 A N 4.217 126.891 122.820 -0.242 0.000 2.331 283 A HA 0.603 4.922 4.320 -0.001 0.000 0.283 283 A C 0.067 177.539 177.584 -0.186 0.000 1.142 283 A CA -0.652 51.175 52.037 -0.350 0.000 0.812 283 A CB 0.439 18.813 19.000 -1.044 0.000 1.074 283 A HN 0.758 nan 8.150 nan 0.000 0.497 284 K N 1.906 122.390 120.400 0.141 0.000 2.274 284 K HA 0.574 4.894 4.320 -0.001 0.000 0.262 284 K C 0.086 176.878 176.600 0.320 0.000 0.961 284 K CA -0.406 56.014 56.287 0.223 0.000 0.833 284 K CB 2.057 34.658 32.500 0.168 0.000 1.102 284 K HN 0.813 nan 8.250 nan 0.000 0.436 285 A N 4.073 126.911 122.820 0.030 0.000 2.409 285 A HA 0.233 4.552 4.320 -0.001 0.000 0.246 285 A C -2.184 174.962 177.584 -0.730 0.000 1.099 285 A CA -0.902 50.774 52.037 -0.601 0.000 0.789 285 A CB -0.574 18.120 19.000 -0.510 0.000 1.053 285 A HN 0.432 nan 8.150 nan 0.000 0.503 286 P HA 0.058 nan 4.420 nan 0.000 0.264 286 P C 0.072 177.155 177.300 -0.361 0.000 1.183 286 P CA 0.307 62.878 63.100 -0.882 0.000 0.763 286 P CB 0.370 31.570 31.700 -0.835 0.000 0.807 287 Q N 0.574 120.261 119.800 -0.189 0.000 2.172 287 Q HA -0.029 4.311 4.340 -0.001 0.000 0.200 287 Q C 0.855 176.760 176.000 -0.158 0.000 0.964 287 Q CA 1.204 56.953 55.803 -0.089 0.000 0.855 287 Q CB -0.020 28.701 28.738 -0.028 0.000 0.918 287 Q HN 0.650 nan 8.270 nan 0.000 0.444 288 T N -3.518 110.835 114.554 -0.335 0.000 2.864 288 T HA 0.289 4.638 4.350 -0.001 0.000 0.289 288 T C -0.690 173.497 174.700 -0.855 0.000 1.082 288 T CA -1.059 60.700 62.100 -0.569 0.000 1.009 288 T CB 1.764 70.487 68.868 -0.241 0.000 1.234 288 T HN 0.035 nan 8.240 nan 0.000 0.526 289 E N 2.465 122.185 120.200 -0.800 0.000 2.493 289 E HA 0.147 4.497 4.350 -0.001 0.000 0.255 289 E C -1.865 174.613 176.600 -0.204 0.000 0.999 289 E CA -1.325 54.804 56.400 -0.451 0.000 0.934 289 E CB 0.300 29.920 29.700 -0.134 0.000 0.940 289 E HN 0.383 nan 8.360 nan 0.000 0.473 290 P HA 0.176 nan 4.420 nan 0.000 0.274 290 P C -2.581 174.784 177.300 0.108 0.000 1.231 290 P CA -1.454 61.680 63.100 0.057 0.000 0.790 290 P CB 0.223 31.991 31.700 0.115 0.000 0.951 291 P HA 0.087 nan 4.420 nan 0.000 0.271 291 P C 0.241 177.597 177.300 0.092 0.000 1.220 291 P CA -0.040 63.104 63.100 0.074 0.000 0.768 291 P CB 0.690 32.394 31.700 0.008 0.000 0.848 292 A N 3.186 126.047 122.820 0.069 0.000 2.021 292 A HA 0.044 4.364 4.320 -0.001 0.000 0.216 292 A C 1.203 178.869 177.584 0.137 0.000 1.163 292 A CA 0.782 52.883 52.037 0.106 0.000 0.676 292 A CB -0.651 18.394 19.000 0.075 0.000 0.818 292 A HN 0.669 nan 8.150 nan 0.000 0.453 293 S N -0.890 114.826 115.700 0.027 0.000 2.586 293 S HA 0.406 4.876 4.470 -0.001 0.000 0.274 293 S C 0.910 175.362 174.600 -0.248 0.000 1.281 293 S CA -0.309 57.870 58.200 -0.035 0.000 1.035 293 S CB 0.994 64.168 63.200 -0.043 0.000 0.962 293 S HN 0.266 nan 8.310 nan 0.000 0.512 294 I N 1.477 121.782 120.570 -0.442 0.000 2.226 294 I HA -0.106 4.064 4.170 -0.001 0.000 0.245 294 I C 1.496 177.358 176.117 -0.425 0.000 1.100 294 I CA 1.651 62.548 61.300 -0.671 0.000 1.374 294 I CB -0.657 36.880 38.000 -0.771 0.000 1.057 294 I HN 0.759 nan 8.210 nan 0.000 0.413 295 D N 0.750 120.996 120.400 -0.256 0.000 2.149 295 D HA -0.145 4.494 4.640 -0.001 0.000 0.198 295 D C 2.219 178.410 176.300 -0.182 0.000 0.990 295 D CA 1.576 55.469 54.000 -0.178 0.000 0.839 295 D CB -0.321 40.416 40.800 -0.104 0.000 0.948 295 D HN 0.491 nan 8.370 nan 0.000 0.460 296 A N 0.326 123.039 122.820 -0.180 0.000 1.929 296 A HA -0.046 4.274 4.320 -0.001 0.000 0.216 296 A C 2.342 179.789 177.584 -0.228 0.000 1.176 296 A CA 0.498 52.444 52.037 -0.151 0.000 0.628 296 A CB -0.515 18.426 19.000 -0.098 0.000 0.816 296 A HN 0.158 nan 8.150 nan 0.000 0.444 297 I N -0.442 119.897 120.570 -0.387 0.000 2.179 297 I HA -0.225 3.944 4.170 -0.001 0.000 0.242 297 I C 2.345 178.187 176.117 -0.460 0.000 1.088 297 I CA 1.240 62.117 61.300 -0.704 0.000 1.357 297 I CB -0.343 37.038 38.000 -1.031 0.000 1.051 297 I HN 0.145 nan 8.210 nan 0.000 0.409 298 V N 1.011 120.699 119.914 -0.376 0.000 2.343 298 V HA -0.298 3.822 4.120 -0.001 0.000 0.247 298 V C 2.698 178.634 176.094 -0.264 0.000 1.051 298 V CA 1.977 64.059 62.300 -0.363 0.000 1.036 298 V CB -1.018 30.639 31.823 -0.278 0.000 0.654 298 V HN 0.509 nan 8.190 nan 0.000 0.451 299 A N -0.070 122.643 122.820 -0.179 0.000 1.933 299 A HA -0.118 4.201 4.320 -0.001 0.000 0.218 299 A C 2.397 179.941 177.584 -0.066 0.000 1.175 299 A CA 2.051 54.023 52.037 -0.108 0.000 0.628 299 A CB -0.665 18.288 19.000 -0.079 0.000 0.814 299 A HN 0.577 nan 8.150 nan 0.000 0.444 300 A N -1.356 121.436 122.820 -0.047 0.000 1.930 300 A HA 0.349 4.669 4.320 -0.001 0.000 0.217 300 A C 2.220 179.865 177.584 0.102 0.000 1.175 300 A CA 1.754 53.827 52.037 0.060 0.000 0.627 300 A CB -1.293 17.794 19.000 0.146 0.000 0.815 300 A HN 1.964 nan 8.150 nan 0.000 0.443 301 G N -1.054 107.781 108.800 0.059 0.000 2.622 301 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.307 301 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.307 301 G C 1.429 176.505 174.900 0.293 0.000 1.226 301 G CA 1.689 46.809 45.100 0.033 0.000 0.997 301 G HN 1.569 nan 8.290 nan 0.000 0.551 302 A N -0.306 122.609 122.820 0.159 0.000 2.125 302 A HA 0.019 4.339 4.320 -0.001 0.000 0.219 302 A C 1.986 179.647 177.584 0.128 0.000 1.156 302 A CA 2.439 54.550 52.037 0.124 0.000 0.671 302 A CB -0.403 18.619 19.000 0.038 0.000 0.794 302 A HN 0.848 nan 8.150 nan 0.000 0.459 303 N N -1.779 117.017 118.700 0.161 0.000 2.336 303 N HA 0.005 4.745 4.740 -0.001 0.000 0.189 303 N C -0.176 175.489 175.510 0.259 0.000 1.113 303 N CA -0.330 52.815 53.050 0.159 0.000 0.858 303 N CB -0.182 38.380 38.487 0.125 0.000 0.970 303 N HN 0.558 nan 8.380 nan 0.000 0.471 304 W N 0.715 122.080 121.300 0.108 0.000 2.308 304 W HA 0.082 4.742 4.660 -0.000 0.000 0.324 304 W C 1.008 177.609 176.519 0.136 0.000 1.387 304 W CA -1.135 56.294 57.345 0.141 0.000 1.250 304 W CB -0.174 29.398 29.460 0.187 0.000 1.257 304 W HN 0.203 nan 8.180 nan 0.000 0.554 305 W N 7.986 129.196 121.300 -0.151 0.000 2.318 305 W HA -0.224 4.436 4.660 -0.001 0.000 0.313 305 W C -0.762 175.544 176.519 -0.355 0.000 1.221 305 W CA 2.400 59.612 57.345 -0.221 0.000 1.266 305 W CB -1.324 28.025 29.460 -0.185 0.000 1.150 305 W HN 0.294 nan 8.180 nan 0.000 0.496 306 P HA -0.197 nan 4.420 nan 0.000 0.217 306 P C 1.759 178.668 177.300 -0.652 0.000 1.150 306 P CA 1.626 64.247 63.100 -0.799 0.000 0.832 306 P CB -0.342 30.811 31.700 -0.911 0.000 0.787 307 L N 0.207 121.104 121.223 -0.543 0.000 2.072 307 L HA -0.042 4.297 4.340 -0.001 0.000 0.205 307 L C 2.253 178.953 176.870 -0.284 0.000 1.079 307 L CA 1.930 56.601 54.840 -0.282 0.000 0.752 307 L CB -1.207 40.830 42.059 -0.038 0.000 0.906 307 L HN -0.211 nan 8.230 nan 0.000 0.436 308 K N -1.241 118.998 120.400 -0.268 0.000 2.032 308 K HA -0.268 4.051 4.320 -0.001 0.000 0.209 308 K C 2.219 178.625 176.600 -0.323 0.000 1.048 308 K CA 1.988 58.140 56.287 -0.225 0.000 0.927 308 K CB -0.507 31.916 32.500 -0.128 0.000 0.712 308 K HN 0.300 nan 8.250 nan 0.000 0.441 309 F N 1.354 120.878 119.950 -0.710 0.000 2.102 309 F HA -0.113 4.413 4.527 -0.001 0.000 0.298 309 F C 1.995 177.550 175.800 -0.408 0.000 1.105 309 F CA 1.439 59.024 58.000 -0.692 0.000 1.239 309 F CB -0.721 37.526 39.000 -1.255 0.000 0.991 309 F HN 0.121 nan 8.300 nan 0.000 0.474 310 A N 0.909 123.386 122.820 -0.573 0.000 1.883 310 A HA -0.226 4.093 4.320 -0.001 0.000 0.217 310 A C 2.375 179.720 177.584 -0.398 0.000 1.186 310 A CA 2.007 53.763 52.037 -0.467 0.000 0.624 310 A CB -0.798 18.042 19.000 -0.266 0.000 0.822 310 A HN 0.491 nan 8.150 nan 0.000 0.444 311 R N -0.483 119.823 120.500 -0.324 0.000 2.081 311 R HA -0.116 4.223 4.340 -0.001 0.000 0.235 311 R C 2.154 178.290 176.300 -0.273 0.000 1.131 311 R CA 1.583 57.541 56.100 -0.236 0.000 0.960 311 R CB -0.326 29.866 30.300 -0.181 0.000 0.856 311 R HN 0.695 nan 8.270 nan 0.000 0.436 312 E N -0.069 119.907 120.200 -0.373 0.000 2.072 312 E HA -0.167 4.183 4.350 -0.001 0.000 0.191 312 E C 1.675 177.858 176.600 -0.695 0.000 0.985 312 E CA 0.806 56.862 56.400 -0.573 0.000 0.801 312 E CB -0.122 29.273 29.700 -0.508 0.000 0.750 312 E HN 0.160 nan 8.360 nan 0.000 0.452 313 F N 2.373 121.825 119.950 -0.830 0.000 2.146 313 F HA -0.165 4.361 4.527 -0.001 0.000 0.298 313 F C 1.863 177.391 175.800 -0.454 0.000 1.096 313 F CA 1.486 59.051 58.000 -0.725 0.000 1.275 313 F CB -0.408 37.908 39.000 -1.139 0.000 1.008 313 F HN -0.084 nan 8.300 nan 0.000 0.480 314 D N 0.068 120.225 120.400 -0.405 0.000 2.117 314 D HA -0.218 4.421 4.640 -0.001 0.000 0.197 314 D C 1.886 178.036 176.300 -0.249 0.000 0.987 314 D CA 1.617 55.410 54.000 -0.345 0.000 0.829 314 D CB -0.380 40.300 40.800 -0.200 0.000 0.961 314 D HN 0.387 nan 8.370 nan 0.000 0.460 315 D N -0.843 119.446 120.400 -0.186 0.000 2.123 315 D HA -0.109 4.530 4.640 -0.001 0.000 0.196 315 D C 1.876 178.159 176.300 -0.028 0.000 0.992 315 D CA 1.665 55.626 54.000 -0.064 0.000 0.833 315 D CB -0.128 40.720 40.800 0.079 0.000 0.954 315 D HN 0.206 nan 8.370 nan 0.000 0.455 316 A N -0.021 122.750 122.820 -0.083 0.000 1.898 316 A HA -0.088 4.231 4.320 -0.001 0.000 0.216 316 A C 2.354 179.957 177.584 0.031 0.000 1.181 316 A CA 1.048 53.117 52.037 0.053 0.000 0.620 316 A CB -0.761 18.280 19.000 0.067 0.000 0.819 316 A HN 0.352 nan 8.150 nan 0.000 0.442 317 I N -0.260 120.261 120.570 -0.082 0.000 2.163 317 I HA -0.289 3.881 4.170 -0.001 0.000 0.243 317 I C 2.403 178.514 176.117 -0.011 0.000 1.085 317 I CA 1.278 62.525 61.300 -0.088 0.000 1.347 317 I CB -0.346 37.487 38.000 -0.278 0.000 1.044 317 I HN 0.298 nan 8.210 nan 0.000 0.408 318 L N -0.308 120.792 121.223 -0.205 0.000 2.046 318 L HA -0.191 4.148 4.340 -0.001 0.000 0.208 318 L C 2.687 179.421 176.870 -0.228 0.000 1.077 318 L CA 1.246 55.809 54.840 -0.461 0.000 0.747 318 L CB -0.579 40.813 42.059 -1.111 0.000 0.896 318 L HN 0.177 nan 8.230 nan 0.000 0.432 319 S N -0.533 115.133 115.700 -0.057 0.000 2.356 319 S HA -0.133 4.336 4.470 -0.001 0.000 0.223 319 S C 2.001 176.684 174.600 0.138 0.000 1.032 319 S CA 1.265 59.531 58.200 0.110 0.000 1.005 319 S CB -0.145 63.128 63.200 0.122 0.000 0.867 319 S HN 0.266 nan 8.310 nan 0.000 0.449 320 M N 1.106 120.793 119.600 0.144 0.000 2.175 320 M HA 0.050 4.530 4.480 -0.001 0.000 0.264 320 M C 2.114 178.648 176.300 0.391 0.000 1.063 320 M CA 1.199 56.648 55.300 0.247 0.000 1.119 320 M CB -1.147 31.569 32.600 0.193 0.000 1.377 320 M HN 0.235 nan 8.290 nan 0.000 0.415 321 R N -0.578 120.160 120.500 0.397 0.000 2.091 321 R HA -0.115 4.225 4.340 -0.001 0.000 0.238 321 R C 2.067 178.468 176.300 0.169 0.000 1.136 321 R CA 1.919 58.184 56.100 0.274 0.000 0.959 321 R CB -0.342 30.054 30.300 0.160 0.000 0.856 321 R HN 0.380 nan 8.270 nan 0.000 0.437 322 T N 0.067 114.717 114.554 0.161 0.000 3.010 322 T HA 0.065 4.415 4.350 -0.001 0.000 0.252 322 T C 1.154 175.959 174.700 0.176 0.000 1.047 322 T CA 0.646 62.831 62.100 0.142 0.000 1.140 322 T CB 0.080 69.065 68.868 0.195 0.000 0.885 322 T HN 0.190 nan 8.240 nan 0.000 0.464 323 N N 0.928 119.736 118.700 0.180 0.000 2.220 323 N HA 0.082 4.821 4.740 -0.001 0.000 0.195 323 N C -0.044 175.551 175.510 0.143 0.000 1.123 323 N CA 0.349 53.497 53.050 0.164 0.000 0.874 323 N CB 0.696 39.270 38.487 0.145 0.000 0.995 323 N HN 0.311 nan 8.380 nan 0.000 0.498 324 E N 0.979 121.275 120.200 0.160 0.000 3.374 324 E HA 0.225 4.575 4.350 -0.001 0.000 0.223 324 E C 0.776 177.469 176.600 0.155 0.000 1.210 324 E CA -0.106 56.385 56.400 0.151 0.000 0.987 324 E CB 0.681 30.480 29.700 0.164 0.000 1.322 324 E HN 0.156 nan 8.360 nan 0.000 0.404 325 L N -0.122 121.175 121.223 0.123 0.000 2.217 325 L HA -0.004 4.335 4.340 -0.001 0.000 0.211 325 L C 2.002 178.916 176.870 0.075 0.000 1.107 325 L CA 1.091 55.990 54.840 0.099 0.000 0.783 325 L CB -0.153 41.964 42.059 0.097 0.000 0.919 325 L HN 0.260 nan 8.230 nan 0.000 0.442 326 A N -0.598 122.266 122.820 0.075 0.000 2.178 326 A HA 0.121 4.440 4.320 -0.001 0.000 0.211 326 A C 1.119 178.735 177.584 0.053 0.000 1.157 326 A CA 0.057 52.127 52.037 0.054 0.000 0.780 326 A CB -0.007 19.022 19.000 0.048 0.000 0.828 326 A HN 0.127 nan 8.150 nan 0.000 0.476 327 V N 1.355 121.322 119.914 0.087 0.000 2.223 327 V HA 0.252 4.372 4.120 -0.001 0.000 0.249 327 V C 1.611 177.767 176.094 0.104 0.000 1.233 327 V CA 0.472 62.839 62.300 0.111 0.000 1.131 327 V CB -0.025 31.896 31.823 0.163 0.000 1.298 327 V HN 0.433 nan 8.190 nan 0.000 0.498 328 G N 3.189 111.998 108.800 0.014 0.000 2.623 328 G HA2 -0.011 3.949 3.960 -0.001 0.000 0.214 328 G HA3 -0.011 3.949 3.960 -0.001 0.000 0.214 328 G C 0.684 175.487 174.900 -0.160 0.000 1.138 328 G CA 0.263 45.316 45.100 -0.078 0.000 0.794 328 G HN 0.555 nan 8.290 nan 0.000 0.535 329 T N 0.840 115.345 114.554 -0.082 0.000 2.797 329 T HA 0.421 4.770 4.350 -0.001 0.000 0.279 329 T C -1.390 173.392 174.700 0.135 0.000 0.991 329 T CA -0.484 61.534 62.100 -0.137 0.000 0.979 329 T CB 1.514 70.240 68.868 -0.237 0.000 0.943 329 T HN 0.116 nan 8.240 nan 0.000 0.444 330 W N 2.544 123.730 121.300 -0.189 0.000 2.478 330 W HA 0.608 5.268 4.660 -0.001 0.000 0.318 330 W C -0.707 175.623 176.519 -0.315 0.000 1.062 330 W CA -1.221 56.021 57.345 -0.172 0.000 1.210 330 W CB 0.723 29.983 29.460 -0.333 0.000 1.325 330 W HN 0.253 nan 8.180 nan 0.000 0.496 331 V N 5.177 125.144 119.914 0.088 0.000 2.398 331 V HA 0.376 4.495 4.120 -0.001 0.000 0.286 331 V C -0.568 175.610 176.094 0.140 0.000 1.026 331 V CA -0.767 61.580 62.300 0.079 0.000 0.868 331 V CB 0.828 32.757 31.823 0.176 0.000 0.982 331 V HN 0.117 nan 8.190 nan 0.000 0.443 332 F N 4.790 124.898 119.950 0.264 0.000 2.415 332 F HA 0.686 5.212 4.527 -0.000 0.000 0.348 332 F C 0.643 176.612 175.800 0.281 0.000 1.119 332 F CA -0.763 57.360 58.000 0.206 0.000 1.069 332 F CB 1.128 40.221 39.000 0.156 0.000 1.124 332 F HN 0.334 nan 8.300 nan 0.000 0.472 333 R N 0.416 121.132 120.500 0.361 0.000 2.888 333 R HA 0.818 5.157 4.340 -0.001 0.000 0.266 333 R C -0.699 175.523 176.300 -0.130 0.000 1.020 333 R CA -1.043 55.210 56.100 0.256 0.000 0.963 333 R CB 2.440 32.861 30.300 0.201 0.000 1.197 333 R HN 0.698 nan 8.270 nan 0.000 0.481 334 T N -1.995 112.415 114.554 -0.240 0.000 2.896 334 T HA 0.561 4.911 4.350 -0.001 0.000 0.297 334 T C -1.005 173.614 174.700 -0.136 0.000 1.108 334 T CA -1.028 60.810 62.100 -0.437 0.000 1.004 334 T CB 2.236 70.588 68.868 -0.860 0.000 1.159 334 T HN 0.737 nan 8.240 nan 0.000 0.499 335 E N 0.182 120.342 120.200 -0.066 0.000 2.413 335 E HA 0.699 5.049 4.350 -0.001 0.000 0.277 335 E C -0.001 176.604 176.600 0.007 0.000 0.958 335 E CA -1.007 55.388 56.400 -0.009 0.000 0.779 335 E CB 1.501 31.203 29.700 0.003 0.000 1.278 335 E HN 1.532 nan 8.360 nan 0.000 0.456 336 G N 1.259 110.047 108.800 -0.021 0.000 2.409 336 G HA2 -0.019 3.941 3.960 -0.001 0.000 0.421 336 G HA3 -0.019 3.941 3.960 -0.001 0.000 0.421 336 G C -1.626 173.213 174.900 -0.102 0.000 1.259 336 G CA -0.322 44.745 45.100 -0.056 0.000 1.011 336 G HN 0.697 nan 8.290 nan 0.000 0.497 337 D N 0.602 120.902 120.400 -0.167 0.000 2.349 337 D HA 0.652 5.292 4.640 -0.001 0.000 0.232 337 D C 1.363 177.479 176.300 -0.305 0.000 1.071 337 D CA 0.569 54.412 54.000 -0.262 0.000 0.832 337 D CB 1.216 41.754 40.800 -0.437 0.000 1.086 337 D HN 0.947 nan 8.370 nan 0.000 0.504 338 A N 4.960 127.647 122.820 -0.221 0.000 1.986 338 A HA -0.215 4.105 4.320 -0.001 0.000 0.220 338 A C 2.014 179.465 177.584 -0.222 0.000 1.171 338 A CA 1.220 53.140 52.037 -0.195 0.000 0.640 338 A CB -0.225 18.711 19.000 -0.107 0.000 0.811 338 A HN 0.682 nan 8.150 nan 0.000 0.451 339 R N -1.347 118.990 120.500 -0.273 0.000 2.127 339 R HA -0.152 4.187 4.340 -0.001 0.000 0.238 339 R C 1.929 178.126 176.300 -0.172 0.000 1.134 339 R CA 1.727 57.690 56.100 -0.229 0.000 0.975 339 R CB -0.495 29.645 30.300 -0.267 0.000 0.865 339 R HN 0.810 nan 8.270 nan 0.000 0.447 340 H N -0.143 118.793 119.070 -0.223 0.000 2.436 340 H HA 0.014 4.569 4.556 -0.001 0.000 0.294 340 H C 2.118 177.204 175.328 -0.403 0.000 1.048 340 H CA 0.608 56.481 56.048 -0.292 0.000 1.353 340 H CB 0.164 29.721 29.762 -0.342 0.000 1.414 340 H HN 0.071 nan 8.280 nan 0.000 0.536 341 L N 0.433 121.436 121.223 -0.367 0.000 2.017 341 L HA -0.191 4.149 4.340 -0.001 0.000 0.208 341 L C 2.137 178.862 176.870 -0.242 0.000 1.073 341 L CA 0.996 55.547 54.840 -0.483 0.000 0.745 341 L CB -0.267 41.467 42.059 -0.542 0.000 0.894 341 L HN 0.296 nan 8.230 nan 0.000 0.432 342 L N -0.680 120.451 121.223 -0.154 0.000 2.083 342 L HA -0.187 4.152 4.340 -0.001 0.000 0.209 342 L C 2.831 179.680 176.870 -0.036 0.000 1.083 342 L CA 1.048 55.847 54.840 -0.068 0.000 0.752 342 L CB -0.764 41.266 42.059 -0.047 0.000 0.899 342 L HN 0.242 nan 8.230 nan 0.000 0.433 343 A N 0.147 122.945 122.820 -0.037 0.000 1.902 343 A HA -0.143 4.177 4.320 -0.001 0.000 0.217 343 A C 2.564 180.167 177.584 0.031 0.000 1.181 343 A CA 1.662 53.703 52.037 0.006 0.000 0.623 343 A CB -0.636 18.379 19.000 0.025 0.000 0.818 343 A HN 0.387 nan 8.150 nan 0.000 0.443 344 A N 0.193 123.004 122.820 -0.015 0.000 1.877 344 A HA -0.195 4.125 4.320 -0.001 0.000 0.216 344 A C 1.780 179.418 177.584 0.090 0.000 1.186 344 A CA 1.968 54.035 52.037 0.049 0.000 0.620 344 A CB -0.694 18.275 19.000 -0.052 0.000 0.822 344 A HN 0.436 nan 8.150 nan 0.000 0.443 345 D N 0.059 120.484 120.400 0.041 0.000 2.149 345 D HA -0.073 4.567 4.640 -0.001 0.000 0.198 345 D C 2.180 178.519 176.300 0.065 0.000 0.990 345 D CA 1.552 55.592 54.000 0.067 0.000 0.839 345 D CB -0.425 40.407 40.800 0.054 0.000 0.948 345 D HN 0.432 nan 8.370 nan 0.000 0.460 346 A N 0.674 123.524 122.820 0.049 0.000 1.933 346 A HA -0.171 4.149 4.320 -0.001 0.000 0.218 346 A C 2.314 179.920 177.584 0.037 0.000 1.175 346 A CA 2.276 54.331 52.037 0.031 0.000 0.628 346 A CB -0.627 18.384 19.000 0.018 0.000 0.814 346 A HN 0.335 nan 8.150 nan 0.000 0.444 347 S N -0.039 115.726 115.700 0.109 0.000 2.387 347 S HA -0.057 4.412 4.470 -0.001 0.000 0.226 347 S C 1.910 176.645 174.600 0.226 0.000 1.026 347 S CA 1.250 59.561 58.200 0.185 0.000 0.972 347 S CB -0.711 62.689 63.200 0.333 0.000 0.814 347 S HN 0.454 nan 8.310 nan 0.000 0.477 348 L N 0.268 121.628 121.223 0.228 0.000 2.017 348 L HA -0.078 4.262 4.340 -0.001 0.000 0.208 348 L C 2.977 179.906 176.870 0.098 0.000 1.073 348 L CA 1.276 56.235 54.840 0.199 0.000 0.745 348 L CB -0.616 41.532 42.059 0.148 0.000 0.894 348 L HN 0.327 nan 8.230 nan 0.000 0.432 349 M N -0.663 118.963 119.600 0.043 0.000 2.132 349 M HA -0.221 4.259 4.480 -0.001 0.000 0.263 349 M C 2.237 178.519 176.300 -0.031 0.000 1.065 349 M CA 1.609 56.911 55.300 0.003 0.000 1.122 349 M CB -1.093 31.504 32.600 -0.005 0.000 1.365 349 M HN 0.318 nan 8.290 nan 0.000 0.411 350 Q N -0.419 119.319 119.800 -0.104 0.000 2.119 350 Q HA -0.169 4.171 4.340 -0.001 0.000 0.201 350 Q C 0.910 176.752 176.000 -0.264 0.000 0.972 350 Q CA 1.213 56.868 55.803 -0.248 0.000 0.847 350 Q CB 0.160 28.633 28.738 -0.442 0.000 0.903 350 Q HN 0.544 nan 8.270 nan 0.000 0.433 351 H N -0.268 118.830 119.070 0.047 0.000 2.505 351 H HA 0.102 4.658 4.556 -0.001 0.000 0.286 351 H C 0.960 176.335 175.328 0.079 0.000 1.072 351 H CA 0.382 56.459 56.048 0.047 0.000 1.141 351 H CB 0.423 30.175 29.762 -0.017 0.000 1.550 351 H HN 0.412 nan 8.280 nan 0.000 0.547 352 K N 0.136 120.623 120.400 0.144 0.000 2.360 352 K HA -0.091 4.228 4.320 -0.001 0.000 0.201 352 K C 0.326 177.000 176.600 0.122 0.000 1.046 352 K CA 1.255 57.612 56.287 0.117 0.000 0.945 352 K CB 0.277 32.814 32.500 0.062 0.000 0.750 352 K HN -0.001 nan 8.250 nan 0.000 0.464 353 D N 0.427 120.912 120.400 0.141 0.000 2.333 353 D HA -0.073 4.567 4.640 -0.001 0.000 0.208 353 D C 0.243 176.645 176.300 0.169 0.000 0.984 353 D CA 0.377 54.458 54.000 0.135 0.000 0.873 353 D CB -0.147 40.722 40.800 0.115 0.000 0.935 353 D HN 0.325 nan 8.370 nan 0.000 0.521 354 H N 1.632 120.765 119.070 0.105 0.000 2.848 354 H HA -0.079 4.476 4.556 -0.001 0.000 0.341 354 H C 1.415 176.782 175.328 0.064 0.000 1.060 354 H CA -0.015 56.089 56.048 0.093 0.000 1.444 354 H CB 0.638 30.408 29.762 0.014 0.000 1.446 354 H HN 0.230 nan 8.280 nan 0.000 0.583 355 W N 5.935 127.071 121.300 -0.273 0.000 2.325 355 W HA -0.254 4.406 4.660 -0.001 0.000 0.299 355 W C 1.062 177.648 176.519 0.113 0.000 1.215 355 W CA 0.647 57.941 57.345 -0.085 0.000 1.244 355 W CB -1.263 28.108 29.460 -0.148 0.000 1.140 355 W HN 0.551 nan 8.180 nan 0.000 0.523 356 F N 2.104 121.335 119.950 -1.198 0.000 2.219 356 F HA -0.029 4.497 4.527 -0.001 0.000 0.294 356 F C 2.321 177.979 175.800 -0.237 0.000 1.086 356 F CA 1.691 59.016 58.000 -1.125 0.000 1.330 356 F CB -0.932 37.319 39.000 -1.248 0.000 1.047 356 F HN -0.250 nan 8.300 nan 0.000 0.495 357 V N 1.411 121.188 119.914 -0.227 0.000 2.343 357 V HA -0.282 3.838 4.120 -0.001 0.000 0.247 357 V C 2.645 178.730 176.094 -0.016 0.000 1.051 357 V CA 2.257 64.497 62.300 -0.099 0.000 1.036 357 V CB -0.875 30.984 31.823 0.060 0.000 0.654 357 V HN 0.327 nan 8.190 nan 0.000 0.451 358 R N 0.020 120.528 120.500 0.013 0.000 2.091 358 R HA -0.242 4.098 4.340 -0.001 0.000 0.238 358 R C 2.307 178.603 176.300 -0.006 0.000 1.136 358 R CA 2.023 58.145 56.100 0.035 0.000 0.959 358 R CB -0.188 30.158 30.300 0.077 0.000 0.856 358 R HN 0.483 nan 8.270 nan 0.000 0.437 359 E N -0.473 119.669 120.200 -0.096 0.000 2.106 359 E HA -0.108 4.242 4.350 -0.001 0.000 0.192 359 E C 1.696 178.259 176.600 -0.062 0.000 0.984 359 E CA 1.916 58.184 56.400 -0.221 0.000 0.806 359 E CB -0.119 29.248 29.700 -0.555 0.000 0.750 359 E HN 0.301 nan 8.360 nan 0.000 0.458 360 T N 0.450 115.005 114.554 0.001 0.000 2.777 360 T HA -0.079 4.270 4.350 -0.001 0.000 0.266 360 T C 1.894 176.650 174.700 0.093 0.000 1.040 360 T CA 1.220 63.396 62.100 0.128 0.000 1.141 360 T CB -0.246 68.604 68.868 -0.031 0.000 0.868 360 T HN 0.141 nan 8.240 nan 0.000 0.444 361 I N 1.279 121.898 120.570 0.082 0.000 2.194 361 I HA -0.175 3.995 4.170 -0.001 0.000 0.246 361 I C 2.872 179.074 176.117 0.143 0.000 1.093 361 I CA 1.403 62.786 61.300 0.138 0.000 1.355 361 I CB -0.750 37.299 38.000 0.082 0.000 1.046 361 I HN 0.323 nan 8.210 nan 0.000 0.413 362 G N 0.859 109.714 108.800 0.092 0.000 2.440 362 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.218 362 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.218 362 G C 1.631 176.603 174.900 0.121 0.000 1.154 362 G CA 0.667 45.821 45.100 0.091 0.000 0.767 362 G HN 0.260 nan 8.290 nan 0.000 0.552 363 L N 0.375 121.699 121.223 0.168 0.000 2.056 363 L HA 0.156 4.496 4.340 -0.001 0.000 0.207 363 L C 2.715 179.609 176.870 0.040 0.000 1.078 363 L CA 1.238 56.169 54.840 0.152 0.000 0.749 363 L CB -0.481 41.717 42.059 0.232 0.000 0.901 363 L HN 0.212 nan 8.230 nan 0.000 0.433 364 L N -0.647 120.591 121.223 0.025 0.000 2.012 364 L HA -0.246 4.094 4.340 -0.001 0.000 0.210 364 L C 2.805 179.628 176.870 -0.078 0.000 1.073 364 L CA 1.800 56.593 54.840 -0.077 0.000 0.748 364 L CB -0.597 41.412 42.059 -0.084 0.000 0.891 364 L HN 0.315 nan 8.230 nan 0.000 0.431 365 R N 0.340 120.898 120.500 0.098 0.000 2.080 365 R HA -0.180 4.160 4.340 -0.001 0.000 0.236 365 R C 2.478 178.805 176.300 0.045 0.000 1.137 365 R CA 1.640 57.821 56.100 0.135 0.000 0.943 365 R CB -0.139 30.252 30.300 0.151 0.000 0.846 365 R HN 0.261 nan 8.270 nan 0.000 0.431 366 R N -0.618 119.906 120.500 0.040 0.000 2.092 366 R HA -0.059 4.281 4.340 -0.001 0.000 0.231 366 R C 2.272 178.547 176.300 -0.041 0.000 1.119 366 R CA 1.861 57.974 56.100 0.022 0.000 0.970 366 R CB -0.282 30.048 30.300 0.050 0.000 0.864 366 R HN 0.314 nan 8.270 nan 0.000 0.440 367 T N 1.611 116.115 114.554 -0.083 0.000 2.737 367 T HA -0.043 4.307 4.350 -0.001 0.000 0.265 367 T C 1.900 176.455 174.700 -0.242 0.000 1.038 367 T CA 0.926 62.910 62.100 -0.194 0.000 1.144 367 T CB -0.120 68.604 68.868 -0.240 0.000 0.866 367 T HN 0.112 nan 8.240 nan 0.000 0.434 368 L N 0.904 122.022 121.223 -0.176 0.000 2.079 368 L HA -0.083 4.257 4.340 -0.001 0.000 0.210 368 L C 2.915 179.733 176.870 -0.087 0.000 1.081 368 L CA 1.101 55.860 54.840 -0.135 0.000 0.752 368 L CB -0.605 41.383 42.059 -0.119 0.000 0.896 368 L HN 0.240 nan 8.230 nan 0.000 0.433 369 A N -0.245 122.544 122.820 -0.053 0.000 2.121 369 A HA -0.134 4.185 4.320 -0.001 0.000 0.218 369 A C 2.309 179.853 177.584 -0.067 0.000 1.154 369 A CA 0.919 52.946 52.037 -0.016 0.000 0.679 369 A CB -0.400 18.620 19.000 0.034 0.000 0.795 369 A HN 0.339 nan 8.150 nan 0.000 0.458 370 R N -0.545 119.886 120.500 -0.115 0.000 2.148 370 R HA 0.042 4.382 4.340 -0.001 0.000 0.223 370 R C 1.690 177.918 176.300 -0.119 0.000 1.088 370 R CA 1.145 57.157 56.100 -0.145 0.000 0.985 370 R CB -0.380 29.823 30.300 -0.161 0.000 0.880 370 R HN 0.574 nan 8.270 nan 0.000 0.451 371 I N 1.307 121.824 120.570 -0.088 0.000 2.179 371 I HA -0.271 3.899 4.170 -0.001 0.000 0.242 371 I C 1.555 177.664 176.117 -0.013 0.000 1.088 371 I CA 1.404 62.705 61.300 0.002 0.000 1.357 371 I CB -0.351 37.688 38.000 0.065 0.000 1.051 371 I HN 0.136 nan 8.210 nan 0.000 0.409 372 D N 0.672 121.061 120.400 -0.019 0.000 2.219 372 D HA -0.108 4.532 4.640 -0.001 0.000 0.205 372 D C 1.905 178.247 176.300 0.070 0.000 0.970 372 D CA 1.475 55.470 54.000 -0.008 0.000 0.851 372 D CB -0.003 40.762 40.800 -0.058 0.000 0.943 372 D HN 0.408 nan 8.370 nan 0.000 0.488 373 V N -1.699 118.186 119.914 -0.048 0.000 3.596 373 V HA 0.176 4.295 4.120 -0.001 0.000 0.289 373 V C 0.646 176.616 176.094 -0.207 0.000 1.336 373 V CA -0.419 61.766 62.300 -0.193 0.000 1.137 373 V CB -0.047 31.373 31.823 -0.673 0.000 0.966 373 V HN -0.197 nan 8.190 nan 0.000 0.428 374 S N 2.244 117.841 115.700 -0.173 0.000 2.565 374 S HA 0.334 4.803 4.470 -0.001 0.000 0.274 374 S C 0.929 175.373 174.600 -0.259 0.000 1.309 374 S CA 0.337 58.399 58.200 -0.230 0.000 1.043 374 S CB 1.178 64.192 63.200 -0.310 0.000 0.939 374 S HN 0.827 nan 8.310 nan 0.000 0.504 375 S N 3.822 119.376 115.700 -0.244 0.000 3.697 375 S HA 0.312 4.782 4.470 -0.001 0.000 0.207 375 S C -0.062 174.346 174.600 -0.319 0.000 1.459 375 S CA -0.729 57.344 58.200 -0.211 0.000 1.122 375 S CB -0.401 62.727 63.200 -0.120 0.000 1.311 375 S HN 0.450 nan 8.310 nan 0.000 0.487 376 R N 0.579 120.795 120.500 -0.473 0.000 2.725 376 R HA 0.484 4.824 4.340 -0.001 0.000 0.277 376 R C -0.612 175.421 176.300 -0.445 0.000 0.987 376 R CA -0.573 55.161 56.100 -0.609 0.000 0.901 376 R CB 1.569 31.066 30.300 -1.339 0.000 1.207 376 R HN 0.330 nan 8.270 nan 0.000 0.463 377 S N 1.778 117.271 115.700 -0.345 0.000 2.576 377 S HA 0.405 4.874 4.470 -0.001 0.000 0.276 377 S C 0.126 174.561 174.600 -0.276 0.000 1.339 377 S CA -0.292 57.753 58.200 -0.259 0.000 1.039 377 S CB 0.375 63.408 63.200 -0.278 0.000 0.902 377 S HN 0.271 nan 8.310 nan 0.000 0.516 378 L N 3.560 124.711 121.223 -0.120 0.000 2.372 378 L HA 0.524 4.863 4.340 -0.001 0.000 0.274 378 L C -1.357 175.650 176.870 0.229 0.000 0.988 378 L CA -0.469 54.316 54.840 -0.090 0.000 0.833 378 L CB 0.886 42.914 42.059 -0.051 0.000 1.236 378 L HN 0.460 nan 8.230 nan 0.000 0.410 379 F N 1.980 121.860 119.950 -0.117 0.000 2.467 379 F HA 0.666 5.193 4.527 -0.000 0.000 0.336 379 F C 0.471 176.291 175.800 0.034 0.000 1.123 379 F CA -1.392 56.604 58.000 -0.008 0.000 0.964 379 F CB 2.099 41.130 39.000 0.052 0.000 1.136 379 F HN 0.403 nan 8.300 nan 0.000 0.447 380 A N 5.516 128.474 122.820 0.231 0.000 2.276 380 A HA 0.767 5.087 4.320 -0.001 0.000 0.316 380 A C -0.928 176.744 177.584 0.148 0.000 1.229 380 A CA -0.532 51.645 52.037 0.233 0.000 0.851 380 A CB 0.327 19.407 19.000 0.133 0.000 1.165 380 A HN 0.727 nan 8.150 nan 0.000 0.513 381 L N 3.845 125.213 121.223 0.243 0.000 2.298 381 L HA 0.446 4.786 4.340 -0.001 0.000 0.284 381 L C -0.700 176.284 176.870 0.189 0.000 1.013 381 L CA -0.178 54.849 54.840 0.312 0.000 0.824 381 L CB 1.408 43.729 42.059 0.437 0.000 1.221 381 L HN 0.598 nan 8.230 nan 0.000 0.418 382 I N 3.618 124.219 120.570 0.051 0.000 2.313 382 I HA 0.250 4.420 4.170 -0.001 0.000 0.286 382 I C 0.173 176.275 176.117 -0.024 0.000 1.091 382 I CA -0.140 61.083 61.300 -0.128 0.000 1.216 382 I CB 0.566 38.332 38.000 -0.391 0.000 1.434 382 I HN 0.671 nan 8.210 nan 0.000 0.487 383 E N 6.580 126.787 120.200 0.012 0.000 2.264 383 E HA 0.473 4.823 4.350 -0.001 0.000 0.260 383 E C -2.509 174.038 176.600 -0.088 0.000 0.961 383 E CA -2.247 54.056 56.400 -0.161 0.000 0.834 383 E CB 0.970 30.588 29.700 -0.137 0.000 1.230 383 E HN 0.175 nan 8.360 nan 0.000 0.412 384 P HA -0.015 nan 4.420 nan 0.000 0.266 384 P C 0.499 177.779 177.300 -0.034 0.000 1.195 384 P CA 1.052 64.103 63.100 -0.081 0.000 0.768 384 P CB 0.319 31.957 31.700 -0.103 0.000 0.838 385 G N 1.283 110.074 108.800 -0.015 0.000 2.199 385 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.254 385 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.254 385 G C 0.450 175.361 174.900 0.018 0.000 0.982 385 G CA 0.335 45.432 45.100 -0.005 0.000 0.632 385 G HN 0.802 nan 8.290 nan 0.000 0.529 386 S N -0.832 114.902 115.700 0.057 0.000 2.655 386 S HA 0.564 5.033 4.470 -0.001 0.000 0.265 386 S C 0.669 175.324 174.600 0.092 0.000 1.240 386 S CA 0.187 58.453 58.200 0.111 0.000 0.986 386 S CB 1.728 65.106 63.200 0.297 0.000 0.985 386 S HN 1.782 nan 8.310 nan 0.000 0.562 387 C N -1.303 118.034 119.300 0.061 0.000 3.482 387 C HA 0.523 4.982 4.460 -0.001 0.000 0.208 387 C C -0.655 174.349 174.990 0.023 0.000 1.306 387 C CA -1.126 57.916 59.018 0.040 0.000 1.254 387 C CB -2.224 25.498 27.740 -0.029 0.000 1.832 387 C HN 0.676 nan 8.230 nan 0.000 0.554 388 F N 2.649 122.620 119.950 0.035 0.000 2.652 388 F HA 0.508 5.035 4.527 -0.001 0.000 0.352 388 F C 1.092 176.895 175.800 0.004 0.000 1.259 388 F CA 0.643 58.648 58.000 0.008 0.000 1.249 388 F CB 0.178 39.142 39.000 -0.060 0.000 1.628 388 F HN 0.794 nan 8.300 nan 0.000 0.654 389 A N 1.792 124.671 122.820 0.097 0.000 2.356 389 A HA 0.740 5.060 4.320 -0.001 0.000 0.310 389 A C 0.597 178.198 177.584 0.030 0.000 1.075 389 A CA -0.090 51.977 52.037 0.050 0.000 0.746 389 A CB 0.713 19.698 19.000 -0.025 0.000 1.221 389 A HN 0.894 nan 8.150 nan 0.000 0.443 390 G N 1.763 110.614 108.800 0.084 0.000 2.629 390 G HA2 -0.356 3.604 3.960 -0.001 0.000 0.313 390 G HA3 -0.356 3.604 3.960 -0.001 0.000 0.313 390 G C 1.232 176.221 174.900 0.148 0.000 1.217 390 G CA 1.334 46.499 45.100 0.108 0.000 0.994 390 G HN 1.411 nan 8.290 nan 0.000 0.549 391 T N 0.870 115.520 114.554 0.160 0.000 2.699 391 T HA -0.114 4.235 4.350 -0.001 0.000 0.268 391 T C 2.103 176.912 174.700 0.183 0.000 1.036 391 T CA 2.262 64.501 62.100 0.232 0.000 1.147 391 T CB -0.271 68.722 68.868 0.210 0.000 0.862 391 T HN 0.360 nan 8.240 nan 0.000 0.446 392 F N 1.380 121.252 119.950 -0.131 0.000 2.365 392 F HA 0.201 4.728 4.527 -0.000 0.000 0.300 392 F C 2.524 178.176 175.800 -0.247 0.000 1.090 392 F CA -0.317 57.510 58.000 -0.289 0.000 1.408 392 F CB -1.172 37.575 39.000 -0.421 0.000 1.060 392 F HN 0.165 nan 8.300 nan 0.000 0.534 393 A N -0.401 122.435 122.820 0.027 0.000 2.121 393 A HA -0.116 4.204 4.320 -0.001 0.000 0.218 393 A C 2.093 179.368 177.584 -0.515 0.000 1.154 393 A CA 0.970 52.889 52.037 -0.198 0.000 0.679 393 A CB -0.444 18.454 19.000 -0.169 0.000 0.795 393 A HN 0.186 nan 8.150 nan 0.000 0.458 394 E N 0.263 120.376 120.200 -0.144 0.000 2.209 394 E HA -0.155 4.195 4.350 -0.001 0.000 0.196 394 E C 1.826 178.367 176.600 -0.099 0.000 0.993 394 E CA 0.784 57.157 56.400 -0.044 0.000 0.819 394 E CB -0.354 29.378 29.700 0.054 0.000 0.745 394 E HN 0.726 nan 8.360 nan 0.000 0.477 395 L N 0.110 121.244 121.223 -0.148 0.000 2.141 395 L HA -0.111 4.228 4.340 -0.001 0.000 0.209 395 L C 2.479 179.424 176.870 0.124 0.000 1.094 395 L CA 0.963 55.713 54.840 -0.149 0.000 0.763 395 L CB -0.465 41.375 42.059 -0.365 0.000 0.908 395 L HN 0.050 nan 8.230 nan 0.000 0.437 396 A N 0.019 122.839 122.820 0.000 0.000 1.897 396 A HA -0.135 4.185 4.320 -0.001 0.000 0.215 396 A C 1.869 179.423 177.584 -0.049 0.000 1.181 396 A CA 1.190 53.150 52.037 -0.129 0.000 0.620 396 A CB -0.550 18.192 19.000 -0.430 0.000 0.821 396 A HN 0.312 nan 8.150 nan 0.000 0.443 397 F N 0.021 119.988 119.950 0.028 0.000 2.558 397 F HA 0.183 4.710 4.527 -0.001 0.000 0.298 397 F C 2.517 178.281 175.800 -0.060 0.000 1.119 397 F CA -0.056 57.907 58.000 -0.062 0.000 1.451 397 F CB -0.876 38.068 39.000 -0.093 0.000 1.091 397 F HN 0.251 nan 8.300 nan 0.000 0.563 398 A N 0.052 122.957 122.820 0.142 0.000 2.119 398 A HA 0.407 4.727 4.320 -0.001 0.000 0.216 398 A C 1.604 179.255 177.584 0.113 0.000 1.152 398 A CA 0.595 52.695 52.037 0.105 0.000 0.708 398 A CB -0.899 18.183 19.000 0.138 0.000 0.805 398 A HN 0.152 nan 8.150 nan 0.000 0.460 399 A N -0.069 122.838 122.820 0.145 0.000 2.351 399 A HA 0.390 4.709 4.320 -0.001 0.000 0.257 399 A C 0.592 178.202 177.584 0.044 0.000 1.087 399 A CA -0.050 52.070 52.037 0.137 0.000 0.798 399 A CB 0.283 19.384 19.000 0.169 0.000 1.033 399 A HN 0.308 nan 8.150 nan 0.000 0.488 400 D N 0.308 120.750 120.400 0.069 0.000 2.178 400 D HA -0.019 4.621 4.640 -0.001 0.000 0.202 400 D C 0.392 176.663 176.300 -0.049 0.000 0.974 400 D CA 1.323 55.346 54.000 0.037 0.000 0.841 400 D CB 0.194 41.069 40.800 0.125 0.000 0.953 400 D HN 0.511 nan 8.370 nan 0.000 0.478 401 R N -0.801 119.630 120.500 -0.115 0.000 2.698 401 R HA 0.447 4.787 4.340 -0.001 0.000 0.275 401 R C -1.071 174.987 176.300 -0.404 0.000 1.001 401 R CA -0.477 55.371 56.100 -0.421 0.000 0.896 401 R CB 2.360 32.161 30.300 -0.831 0.000 1.218 401 R HN -0.213 nan 8.270 nan 0.000 0.462 402 T N 2.301 116.565 114.554 -0.483 0.000 2.890 402 T HA 0.422 4.772 4.350 -0.001 0.000 0.295 402 T C -1.382 173.047 174.700 -0.452 0.000 0.993 402 T CA -0.506 61.393 62.100 -0.336 0.000 0.979 402 T CB 0.531 69.283 68.868 -0.193 0.000 0.967 402 T HN 0.280 nan 8.240 nan 0.000 0.441 403 Y N 2.424 122.643 120.300 -0.135 0.000 2.352 403 Y HA 0.664 5.214 4.550 -0.001 0.000 0.339 403 Y C 0.155 176.169 175.900 0.189 0.000 0.992 403 Y CA -1.085 56.981 58.100 -0.057 0.000 1.100 403 Y CB 1.826 40.109 38.460 -0.295 0.000 1.192 403 Y HN 0.485 nan 8.280 nan 0.000 0.458 404 M N 2.699 122.535 119.600 0.394 0.000 2.321 404 M HA 0.763 5.242 4.480 -0.001 0.000 0.315 404 M C -1.076 175.407 176.300 0.304 0.000 1.052 404 M CA -0.855 54.603 55.300 0.264 0.000 0.936 404 M CB 1.388 34.033 32.600 0.076 0.000 1.639 404 M HN 0.775 nan 8.290 nan 0.000 0.433 405 A N 4.030 126.832 122.820 -0.030 0.000 2.437 405 A HA 0.641 4.961 4.320 -0.001 0.000 0.303 405 A C 0.084 177.617 177.584 -0.084 0.000 1.324 405 A CA -0.347 51.531 52.037 -0.264 0.000 0.983 405 A CB -0.536 18.013 19.000 -0.751 0.000 1.142 405 A HN 0.921 nan 8.150 nan 0.000 0.541 406 A N 2.987 125.824 122.820 0.029 0.000 2.401 406 A HA 0.605 4.925 4.320 -0.001 0.000 0.259 406 A C -0.034 177.543 177.584 -0.011 0.000 1.103 406 A CA -0.100 51.950 52.037 0.022 0.000 0.789 406 A CB 0.009 19.046 19.000 0.061 0.000 1.035 406 A HN 0.922 nan 8.150 nan 0.000 0.491 407 L N 4.790 126.001 121.223 -0.019 0.000 2.502 407 L HA 0.251 4.591 4.340 -0.001 0.000 0.249 407 L C -1.649 175.214 176.870 -0.012 0.000 1.446 407 L CA -1.220 53.604 54.840 -0.027 0.000 0.887 407 L CB 1.868 43.896 42.059 -0.051 0.000 1.126 407 L HN 0.595 nan 8.230 nan 0.000 0.509 408 P HA -0.181 nan 4.420 nan 0.000 0.219 408 P C 1.092 178.392 177.300 0.000 0.000 1.146 408 P CA 1.101 64.204 63.100 0.004 0.000 0.808 408 P CB 0.482 32.189 31.700 0.011 0.000 0.779 409 A N -1.514 121.305 122.820 -0.003 0.000 2.308 409 A HA 0.117 4.437 4.320 -0.001 0.000 0.217 409 A C 0.930 178.509 177.584 -0.009 0.000 1.216 409 A CA 0.103 52.138 52.037 -0.004 0.000 0.864 409 A CB -0.511 18.488 19.000 -0.003 0.000 0.902 409 A HN 0.114 nan 8.150 nan 0.000 0.499 410 N N 0.135 118.827 118.700 -0.014 0.000 2.710 410 N HA 0.144 4.884 4.740 -0.001 0.000 0.244 410 N C 0.064 175.562 175.510 -0.020 0.000 1.321 410 N CA -0.151 52.889 53.050 -0.018 0.000 0.758 410 N CB 0.542 39.014 38.487 -0.024 0.000 1.284 410 N HN 0.293 nan 8.380 nan 0.000 0.530 411 E N 0.093 120.284 120.200 -0.015 0.000 2.150 411 E HA -0.139 4.210 4.350 -0.001 0.000 0.193 411 E C 0.257 176.847 176.600 -0.017 0.000 0.985 411 E CA 0.978 57.370 56.400 -0.014 0.000 0.814 411 E CB 0.311 30.006 29.700 -0.009 0.000 0.752 411 E HN 0.482 nan 8.360 nan 0.000 0.466 412 D N 0.732 121.122 120.400 -0.018 0.000 2.149 412 D HA -0.194 4.446 4.640 -0.001 0.000 0.198 412 D C 1.826 178.111 176.300 -0.025 0.000 0.990 412 D CA 1.226 55.214 54.000 -0.020 0.000 0.839 412 D CB -0.094 40.695 40.800 -0.019 0.000 0.948 412 D HN 0.146 nan 8.370 nan 0.000 0.460 413 E N 0.486 120.668 120.200 -0.030 0.000 2.299 413 E HA -0.028 4.322 4.350 -0.001 0.000 0.193 413 E C 0.289 176.861 176.600 -0.046 0.000 0.998 413 E CA 0.048 56.425 56.400 -0.039 0.000 0.851 413 E CB 0.145 29.818 29.700 -0.044 0.000 0.795 413 E HN 0.166 nan 8.360 nan 0.000 0.492 414 E N 2.102 122.279 120.200 -0.039 0.000 2.366 414 E HA 0.036 4.385 4.350 -0.001 0.000 0.266 414 E C -2.102 174.480 176.600 -0.029 0.000 1.015 414 E CA -1.888 54.487 56.400 -0.041 0.000 0.906 414 E CB 0.606 30.290 29.700 -0.027 0.000 0.979 414 E HN 0.194 nan 8.360 nan 0.000 0.443 415 P HA 0.205 nan 4.420 nan 0.000 0.276 415 P C -1.472 175.837 177.300 0.015 0.000 1.261 415 P CA -0.440 62.658 63.100 -0.003 0.000 0.800 415 P CB 1.150 32.851 31.700 0.000 0.000 1.066 416 A N 0.864 123.708 122.820 0.039 0.000 2.454 416 A HA 0.693 5.012 4.320 -0.001 0.000 0.302 416 A C -0.558 177.077 177.584 0.086 0.000 1.079 416 A CA -0.883 51.185 52.037 0.051 0.000 0.731 416 A CB 0.928 19.951 19.000 0.039 0.000 1.299 416 A HN 0.429 nan 8.150 nan 0.000 0.413 417 I N 1.393 122.019 120.570 0.092 0.000 2.359 417 I HA 0.399 4.568 4.170 -0.001 0.000 0.294 417 I C -0.334 175.862 176.117 0.132 0.000 0.987 417 I CA -0.105 61.273 61.300 0.131 0.000 1.225 417 I CB 2.048 40.136 38.000 0.146 0.000 1.366 417 I HN 0.587 nan 8.210 nan 0.000 0.466 418 T N 7.060 121.695 114.554 0.135 0.000 2.864 418 T HA 0.488 4.838 4.350 -0.001 0.000 0.299 418 T C -0.134 174.661 174.700 0.158 0.000 1.011 418 T CA -0.542 61.630 62.100 0.120 0.000 0.975 418 T CB 0.799 69.708 68.868 0.068 0.000 0.962 418 T HN 0.257 nan 8.240 nan 0.000 0.448 419 L N 2.951 124.296 121.223 0.203 0.000 2.395 419 L HA 0.636 4.975 4.340 -0.001 0.000 0.269 419 L C 0.956 177.958 176.870 0.221 0.000 1.133 419 L CA -0.461 54.537 54.840 0.264 0.000 0.812 419 L CB 0.898 43.175 42.059 0.362 0.000 1.125 419 L HN 0.723 nan 8.230 nan 0.000 0.452 420 S N -0.176 115.663 115.700 0.231 0.000 2.745 420 S HA 0.336 4.805 4.470 -0.001 0.000 0.306 420 S C 0.576 175.337 174.600 0.269 0.000 1.137 420 S CA -0.820 57.494 58.200 0.190 0.000 0.900 420 S CB 1.670 64.942 63.200 0.119 0.000 1.176 420 S HN 0.558 nan 8.310 nan 0.000 0.520 421 E N 0.634 120.947 120.200 0.189 0.000 2.171 421 E HA -0.132 4.217 4.350 -0.001 0.000 0.197 421 E C 2.089 178.803 176.600 0.191 0.000 0.997 421 E CA 1.593 58.114 56.400 0.201 0.000 0.810 421 E CB -0.808 28.940 29.700 0.080 0.000 0.738 421 E HN 0.708 nan 8.360 nan 0.000 0.467 422 V N -1.062 118.908 119.914 0.093 0.000 2.913 422 V HA -0.175 3.945 4.120 -0.001 0.000 0.260 422 V C 1.250 177.324 176.094 -0.032 0.000 1.098 422 V CA 1.837 64.098 62.300 -0.064 0.000 1.121 422 V CB -0.840 30.934 31.823 -0.082 0.000 0.714 422 V HN 0.087 nan 8.190 nan 0.000 0.487 423 N N -0.245 118.485 118.700 0.050 0.000 2.521 423 N HA 0.180 4.920 4.740 -0.001 0.000 0.188 423 N C 0.220 175.420 175.510 -0.516 0.000 1.146 423 N CA 0.711 53.671 53.050 -0.150 0.000 0.893 423 N CB -0.108 38.262 38.487 -0.195 0.000 0.975 423 N HN 0.620 nan 8.380 nan 0.000 0.451 424 F N -0.588 119.378 119.950 0.026 0.000 2.928 424 F HA 0.443 4.970 4.527 -0.000 0.000 0.337 424 F C 1.238 177.031 175.800 -0.012 0.000 1.259 424 F CA -0.570 57.435 58.000 0.008 0.000 1.267 424 F CB 0.968 39.972 39.000 0.008 0.000 0.986 424 F HN -0.021 nan 8.300 nan 0.000 0.507 425 G N -0.477 108.346 108.800 0.039 0.000 2.425 425 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.177 425 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.177 425 G C 0.744 175.605 174.900 -0.065 0.000 0.999 425 G CA -0.107 45.003 45.100 0.016 0.000 0.723 425 G HN 0.313 nan 8.290 nan 0.000 0.491 426 L N 0.279 121.390 121.223 -0.188 0.000 2.217 426 L HA 0.383 4.723 4.340 -0.001 0.000 0.211 426 L C 0.648 177.294 176.870 -0.373 0.000 1.107 426 L CA 1.276 55.886 54.840 -0.382 0.000 0.783 426 L CB -0.113 41.537 42.059 -0.681 0.000 0.919 426 L HN 0.286 nan 8.230 nan 0.000 0.442 427 Y N 0.240 120.543 120.300 0.006 0.000 2.562 427 Y HA 0.418 4.968 4.550 -0.001 0.000 0.363 427 Y C -2.176 173.730 175.900 0.009 0.000 0.991 427 Y CA -3.882 54.221 58.100 0.004 0.000 1.121 427 Y CB -0.782 37.694 38.460 0.027 0.000 1.159 427 Y HN 0.059 nan 8.280 nan 0.000 0.651 428 P HA 0.072 nan 4.420 nan 0.000 0.271 428 P C 0.248 177.619 177.300 0.118 0.000 1.216 428 P CA -0.077 63.086 63.100 0.104 0.000 0.776 428 P CB 1.096 32.851 31.700 0.091 0.000 0.881 429 M N 2.081 121.741 119.600 0.100 0.000 2.055 429 M HA 0.142 4.622 4.480 -0.001 0.000 0.279 429 M C 1.363 177.781 176.300 0.196 0.000 1.236 429 M CA -0.396 54.967 55.300 0.105 0.000 1.074 429 M CB -0.293 32.318 32.600 0.017 0.000 1.394 429 M HN 0.104 nan 8.290 nan 0.000 0.492 430 V N -2.368 117.702 119.914 0.260 0.000 3.383 430 V HA -0.103 4.017 4.120 -0.001 0.000 0.272 430 V C 1.834 178.136 176.094 0.345 0.000 1.181 430 V CA 1.553 64.058 62.300 0.342 0.000 1.171 430 V CB -2.145 29.894 31.823 0.361 0.000 0.800 430 V HN 1.075 nan 8.190 nan 0.000 0.515 431 T N -2.924 111.802 114.554 0.286 0.000 3.160 431 T HA 0.005 4.354 4.350 -0.001 0.000 0.257 431 T C 0.991 175.745 174.700 0.089 0.000 1.147 431 T CA 1.018 63.198 62.100 0.133 0.000 1.064 431 T CB -0.941 68.003 68.868 0.127 0.000 0.949 431 T HN 0.811 nan 8.240 nan 0.000 0.526 432 H N -0.402 118.735 119.070 0.111 0.000 3.642 432 H HA -0.138 4.417 4.556 -0.001 0.000 0.185 432 H C -0.123 175.246 175.328 0.068 0.000 0.992 432 H CA 0.509 56.612 56.048 0.092 0.000 1.216 432 H CB -1.598 28.218 29.762 0.091 0.000 1.055 432 H HN 0.532 nan 8.280 nan 0.000 0.351 433 Q N 1.756 121.653 119.800 0.161 0.000 2.227 433 Q HA 0.427 4.766 4.340 -0.001 0.000 0.245 433 Q C 0.395 176.426 176.000 0.052 0.000 0.926 433 Q CA -0.049 55.805 55.803 0.084 0.000 0.895 433 Q CB 1.684 30.441 28.738 0.032 0.000 1.230 433 Q HN 0.313 nan 8.270 nan 0.000 0.450 434 S N 0.833 116.550 115.700 0.028 0.000 2.584 434 S HA 0.094 4.564 4.470 -0.001 0.000 0.270 434 S C 0.743 175.308 174.600 -0.058 0.000 1.346 434 S CA -0.365 57.831 58.200 -0.006 0.000 1.018 434 S CB 0.933 64.105 63.200 -0.046 0.000 0.899 434 S HN 0.654 nan 8.310 nan 0.000 0.542 435 R N 0.374 120.842 120.500 -0.054 0.000 2.120 435 R HA 0.032 4.371 4.340 -0.001 0.000 0.234 435 R C 2.078 178.232 176.300 -0.244 0.000 1.123 435 R CA 1.368 57.411 56.100 -0.096 0.000 0.975 435 R CB -0.671 29.647 30.300 0.029 0.000 0.866 435 R HN 0.638 nan 8.270 nan 0.000 0.446 436 L N -0.014 121.002 121.223 -0.344 0.000 2.093 436 L HA -0.129 4.211 4.340 -0.001 0.000 0.208 436 L C 2.634 179.339 176.870 -0.274 0.000 1.085 436 L CA 1.095 55.631 54.840 -0.505 0.000 0.755 436 L CB -0.518 41.180 42.059 -0.601 0.000 0.904 436 L HN 0.249 nan 8.230 nan 0.000 0.435 437 A N -0.059 122.681 122.820 -0.133 0.000 1.902 437 A HA -0.227 4.092 4.320 -0.001 0.000 0.217 437 A C 2.454 179.980 177.584 -0.098 0.000 1.181 437 A CA 1.478 53.501 52.037 -0.023 0.000 0.623 437 A CB -0.548 18.466 19.000 0.022 0.000 0.818 437 A HN 0.272 nan 8.150 nan 0.000 0.443 438 R N 0.267 120.663 120.500 -0.173 0.000 2.073 438 R HA -0.147 4.192 4.340 -0.001 0.000 0.234 438 R C 2.282 178.310 176.300 -0.454 0.000 1.134 438 R CA 1.982 57.925 56.100 -0.263 0.000 0.952 438 R CB -0.652 29.497 30.300 -0.250 0.000 0.850 438 R HN 0.589 nan 8.270 nan 0.000 0.433 439 R N -0.783 119.419 120.500 -0.497 0.000 2.091 439 R HA -0.139 4.201 4.340 -0.001 0.000 0.238 439 R C 0.998 176.867 176.300 -0.718 0.000 1.136 439 R CA 1.782 57.464 56.100 -0.697 0.000 0.959 439 R CB -0.169 29.576 30.300 -0.925 0.000 0.856 439 R HN 0.180 nan 8.270 nan 0.000 0.437 440 F N -0.744 119.062 119.950 -0.239 0.000 2.639 440 F HA 0.238 4.765 4.527 -0.000 0.000 0.300 440 F C -0.440 175.382 175.800 0.037 0.000 1.109 440 F CA -0.733 57.213 58.000 -0.089 0.000 1.335 440 F CB -0.066 38.908 39.000 -0.044 0.000 1.014 440 F HN -0.037 nan 8.300 nan 0.000 0.537 441 Y N 0.081 120.432 120.300 0.086 0.000 3.721 441 Y HA -0.335 4.215 4.550 -0.001 0.000 0.218 441 Y C 0.867 176.809 175.900 0.070 0.000 1.188 441 Y CA 0.342 58.477 58.100 0.058 0.000 1.607 441 Y CB -2.585 35.906 38.460 0.052 0.000 1.496 441 Y HN 0.404 nan 8.280 nan 0.000 0.626 442 E N -2.608 117.695 120.200 0.172 0.000 3.065 442 E HA -0.299 4.050 4.350 -0.001 0.000 0.277 442 E C -0.067 176.612 176.600 0.132 0.000 1.008 442 E CA 0.929 57.412 56.400 0.138 0.000 0.864 442 E CB -1.051 28.715 29.700 0.111 0.000 1.439 442 E HN 0.741 nan 8.360 nan 0.000 0.445 443 E N 0.559 120.855 120.200 0.160 0.000 2.324 443 E HA 0.057 4.406 4.350 -0.001 0.000 0.271 443 E C 1.548 178.175 176.600 0.045 0.000 1.028 443 E CA 0.647 57.105 56.400 0.097 0.000 0.890 443 E CB 0.700 30.462 29.700 0.103 0.000 1.004 443 E HN 0.322 nan 8.360 nan 0.000 0.431 444 T N 0.365 114.931 114.554 0.021 0.000 2.904 444 T HA -0.136 4.214 4.350 -0.001 0.000 0.267 444 T C 1.245 175.923 174.700 -0.037 0.000 1.059 444 T CA 0.831 62.932 62.100 0.002 0.000 1.137 444 T CB -0.013 68.857 68.868 0.002 0.000 0.879 444 T HN 0.332 nan 8.240 nan 0.000 0.467 445 E N 2.607 122.776 120.200 -0.051 0.000 2.017 445 E HA -0.040 4.310 4.350 -0.001 0.000 0.193 445 E C -0.246 176.265 176.600 -0.148 0.000 0.997 445 E CA 1.569 57.920 56.400 -0.081 0.000 0.804 445 E CB -1.299 28.360 29.700 -0.067 0.000 0.757 445 E HN 0.488 nan 8.360 nan 0.000 0.448 446 P HA -0.107 nan 4.420 nan 0.000 0.219 446 P C 1.282 178.301 177.300 -0.468 0.000 1.150 446 P CA 1.123 63.925 63.100 -0.497 0.000 0.814 446 P CB 0.108 31.287 31.700 -0.868 0.000 0.787 447 L N -0.230 120.858 121.223 -0.225 0.000 2.072 447 L HA -0.119 4.220 4.340 -0.001 0.000 0.205 447 L C 2.281 179.146 176.870 -0.007 0.000 1.079 447 L CA 1.478 56.319 54.840 0.002 0.000 0.752 447 L CB -1.009 41.128 42.059 0.129 0.000 0.906 447 L HN -0.105 nan 8.230 nan 0.000 0.436 448 D N 0.271 120.636 120.400 -0.059 0.000 2.123 448 D HA -0.186 4.454 4.640 -0.001 0.000 0.196 448 D C 2.213 178.466 176.300 -0.078 0.000 0.992 448 D CA 1.532 55.486 54.000 -0.076 0.000 0.833 448 D CB -0.050 40.710 40.800 -0.067 0.000 0.954 448 D HN 0.313 nan 8.370 nan 0.000 0.455 449 A N 0.459 123.225 122.820 -0.090 0.000 1.933 449 A HA -0.133 4.187 4.320 -0.001 0.000 0.218 449 A C 2.430 179.992 177.584 -0.036 0.000 1.175 449 A CA 2.057 54.048 52.037 -0.077 0.000 0.628 449 A CB -0.617 18.317 19.000 -0.110 0.000 0.814 449 A HN 0.250 nan 8.150 nan 0.000 0.444 450 V N -2.601 117.312 119.914 -0.003 0.000 2.535 450 V HA -0.003 4.117 4.120 -0.001 0.000 0.246 450 V C 2.271 178.449 176.094 0.140 0.000 1.045 450 V CA 1.657 64.025 62.300 0.114 0.000 1.058 450 V CB -0.911 31.035 31.823 0.206 0.000 0.689 450 V HN 0.492 nan 8.190 nan 0.000 0.461 451 R N 1.835 122.330 120.500 -0.008 0.000 2.096 451 R HA -0.144 4.196 4.340 -0.001 0.000 0.235 451 R C 2.491 178.670 176.300 -0.201 0.000 1.127 451 R CA 1.862 57.728 56.100 -0.389 0.000 0.968 451 R CB -0.412 29.447 30.300 -0.736 0.000 0.861 451 R HN 0.784 nan 8.270 nan 0.000 0.440 452 S N -0.199 115.433 115.700 -0.113 0.000 2.507 452 S HA -0.014 4.456 4.470 -0.001 0.000 0.235 452 S C 1.378 175.959 174.600 -0.032 0.000 0.988 452 S CA 0.428 58.582 58.200 -0.075 0.000 0.944 452 S CB 0.048 63.212 63.200 -0.060 0.000 0.762 452 S HN 0.262 nan 8.310 nan 0.000 0.526 453 R N 0.581 121.083 120.500 0.002 0.000 2.393 453 R HA 0.413 4.753 4.340 -0.001 0.000 0.244 453 R C 0.119 176.456 176.300 0.063 0.000 0.920 453 R CA -0.320 55.801 56.100 0.035 0.000 1.076 453 R CB -0.457 29.876 30.300 0.056 0.000 1.119 453 R HN 0.472 nan 8.270 nan 0.000 0.524 454 I N 1.109 121.712 120.570 0.055 0.000 2.906 454 I HA -0.226 3.944 4.170 -0.001 0.000 0.302 454 I C 1.381 177.535 176.117 0.060 0.000 1.220 454 I CA 1.640 62.992 61.300 0.087 0.000 1.441 454 I CB 0.268 38.297 38.000 0.048 0.000 1.336 454 I HN 0.532 nan 8.210 nan 0.000 0.565 455 G N 4.211 113.057 108.800 0.076 0.000 2.225 455 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.254 455 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.254 455 G C 0.192 175.114 174.900 0.037 0.000 0.988 455 G CA -0.285 44.843 45.100 0.047 0.000 0.625 455 G HN 0.618 nan 8.290 nan 0.000 0.527 456 Q N 0.389 120.217 119.800 0.046 0.000 2.235 456 Q HA 0.659 4.998 4.340 -0.001 0.000 0.250 456 Q C 0.349 176.376 176.000 0.046 0.000 0.909 456 Q CA -0.008 55.817 55.803 0.037 0.000 0.910 456 Q CB 1.655 30.414 28.738 0.034 0.000 1.223 456 Q HN 0.677 nan 8.270 nan 0.000 0.432 457 A N 3.796 126.635 122.820 0.032 0.000 2.395 457 A HA 0.269 4.588 4.320 -0.001 0.000 0.286 457 A C -0.258 177.351 177.584 0.043 0.000 1.193 457 A CA -0.207 51.852 52.037 0.036 0.000 0.852 457 A CB -0.398 18.613 19.000 0.019 0.000 1.118 457 A HN 0.683 nan 8.150 nan 0.000 0.524 458 I N 4.192 124.799 120.570 0.061 0.000 2.312 458 I HA 0.182 4.351 4.170 -0.001 0.000 0.291 458 I C 0.112 176.261 176.117 0.054 0.000 1.031 458 I CA -0.694 60.643 61.300 0.062 0.000 1.293 458 I CB 1.019 39.072 38.000 0.088 0.000 1.403 458 I HN 0.514 nan 8.210 nan 0.000 0.484 459 K N 7.421 127.844 120.400 0.040 0.000 2.102 459 K HA 0.311 4.631 4.320 -0.001 0.000 0.244 459 K C -1.695 174.926 176.600 0.036 0.000 1.021 459 K CA -2.187 54.119 56.287 0.031 0.000 0.913 459 K CB 0.154 32.666 32.500 0.021 0.000 1.062 459 K HN 0.121 nan 8.250 nan 0.000 0.485 460 P HA -0.142 nan 4.420 nan 0.000 0.216 460 P C 1.356 178.684 177.300 0.045 0.000 1.150 460 P CA 0.846 63.970 63.100 0.040 0.000 0.837 460 P CB 0.212 31.935 31.700 0.038 0.000 0.786 461 V N -0.025 119.912 119.914 0.038 0.000 2.307 461 V HA -0.230 3.889 4.120 -0.001 0.000 0.245 461 V C 2.469 178.585 176.094 0.036 0.000 1.045 461 V CA 1.876 64.198 62.300 0.036 0.000 1.024 461 V CB -1.066 30.774 31.823 0.029 0.000 0.651 461 V HN 0.201 nan 8.190 nan 0.000 0.449 462 E N 0.150 120.372 120.200 0.036 0.000 2.106 462 E HA -0.202 4.147 4.350 -0.001 0.000 0.192 462 E C 2.251 178.881 176.600 0.050 0.000 0.984 462 E CA 1.234 57.656 56.400 0.037 0.000 0.806 462 E CB -0.167 29.554 29.700 0.035 0.000 0.750 462 E HN 0.557 nan 8.360 nan 0.000 0.458 463 A N 1.525 124.381 122.820 0.060 0.000 1.902 463 A HA -0.222 4.097 4.320 -0.001 0.000 0.217 463 A C 2.141 179.772 177.584 0.077 0.000 1.181 463 A CA 1.612 53.698 52.037 0.081 0.000 0.623 463 A CB -0.543 18.504 19.000 0.078 0.000 0.818 463 A HN 0.297 nan 8.150 nan 0.000 0.443 464 E N -0.007 120.229 120.200 0.059 0.000 2.072 464 E HA -0.194 4.155 4.350 -0.001 0.000 0.191 464 E C 2.253 178.884 176.600 0.051 0.000 0.985 464 E CA 1.079 57.509 56.400 0.050 0.000 0.801 464 E CB -0.287 29.439 29.700 0.043 0.000 0.750 464 E HN 0.608 nan 8.360 nan 0.000 0.452 465 R N 0.213 120.739 120.500 0.042 0.000 2.096 465 R HA -0.059 4.281 4.340 -0.001 0.000 0.235 465 R C 2.525 178.842 176.300 0.029 0.000 1.127 465 R CA 0.947 57.066 56.100 0.031 0.000 0.968 465 R CB -0.166 30.147 30.300 0.021 0.000 0.861 465 R HN 0.198 nan 8.270 nan 0.000 0.440 466 L N -0.568 120.679 121.223 0.041 0.000 2.478 466 L HA 0.095 4.434 4.340 -0.001 0.000 0.223 466 L C 1.241 178.168 176.870 0.096 0.000 1.140 466 L CA 0.710 55.567 54.840 0.028 0.000 0.842 466 L CB 0.081 42.168 42.059 0.047 0.000 0.953 466 L HN 0.595 nan 8.230 nan 0.000 0.452 467 G N -0.176 108.712 108.800 0.147 0.000 2.136 467 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.242 467 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.242 467 G C 0.742 175.810 174.900 0.280 0.000 0.989 467 G CA 0.251 45.498 45.100 0.246 0.000 0.682 467 G HN 0.320 nan 8.290 nan 0.000 0.522 468 L N -0.358 121.002 121.223 0.229 0.000 2.395 468 L HA 0.288 4.627 4.340 -0.001 0.000 0.218 468 L C 1.514 178.473 176.870 0.149 0.000 1.130 468 L CA 1.190 56.153 54.840 0.205 0.000 0.826 468 L CB -0.009 42.202 42.059 0.253 0.000 0.941 468 L HN 0.524 nan 8.230 nan 0.000 0.451 469 V N -6.750 113.203 119.914 0.066 0.000 3.102 469 V HA 0.364 4.483 4.120 -0.001 0.000 0.312 469 V C 0.841 176.882 176.094 -0.088 0.000 1.135 469 V CA -0.610 61.675 62.300 -0.024 0.000 1.022 469 V CB 1.478 33.285 31.823 -0.026 0.000 1.056 469 V HN -0.080 nan 8.190 nan 0.000 0.436 470 T N 1.143 115.565 114.554 -0.220 0.000 2.812 470 T HA 0.477 4.827 4.350 -0.001 0.000 0.264 470 T C 0.631 175.207 174.700 -0.206 0.000 1.042 470 T CA 1.671 63.602 62.100 -0.283 0.000 1.140 470 T CB -0.071 68.465 68.868 -0.553 0.000 0.870 470 T HN 1.611 nan 8.240 nan 0.000 0.445 471 A N -0.088 122.620 122.820 -0.186 0.000 2.605 471 A HA 0.638 4.957 4.320 -0.001 0.000 0.294 471 A C -0.980 176.661 177.584 0.096 0.000 1.062 471 A CA -0.706 51.326 52.037 -0.008 0.000 0.682 471 A CB 1.243 20.285 19.000 0.070 0.000 1.278 471 A HN 0.006 nan 8.150 nan 0.000 0.410 472 S N 2.460 118.235 115.700 0.126 0.000 2.150 472 S HA 0.491 4.961 4.470 -0.001 0.000 0.171 472 S C -2.801 171.916 174.600 0.195 0.000 1.620 472 S CA -0.784 57.520 58.200 0.174 0.000 1.190 472 S CB 0.418 63.683 63.200 0.109 0.000 1.102 472 S HN 0.510 nan 8.310 nan 0.000 0.464 473 P HA 0.160 nan 4.420 nan 0.000 0.271 473 P C -0.171 177.272 177.300 0.238 0.000 1.216 473 P CA -0.288 62.953 63.100 0.237 0.000 0.771 473 P CB 0.439 32.278 31.700 0.232 0.000 0.864 474 D N 1.925 122.414 120.400 0.148 0.000 2.406 474 D HA -0.086 4.554 4.640 -0.001 0.000 0.234 474 D C 1.149 177.531 176.300 0.138 0.000 1.196 474 D CA 0.425 54.490 54.000 0.109 0.000 0.881 474 D CB 0.411 41.255 40.800 0.074 0.000 1.205 474 D HN 0.490 nan 8.370 nan 0.000 0.453 475 D N 0.350 120.799 120.400 0.081 0.000 2.310 475 D HA -0.163 4.477 4.640 -0.001 0.000 0.212 475 D C 1.692 178.052 176.300 0.099 0.000 0.965 475 D CA 0.578 54.623 54.000 0.075 0.000 0.879 475 D CB -0.223 40.576 40.800 -0.001 0.000 0.921 475 D HN 0.495 nan 8.370 nan 0.000 0.510 476 I N -2.229 118.389 120.570 0.080 0.000 3.419 476 I HA 0.060 4.230 4.170 -0.001 0.000 0.286 476 I C 0.312 176.476 176.117 0.079 0.000 1.268 476 I CA 0.711 62.053 61.300 0.070 0.000 1.414 476 I CB -0.167 37.860 38.000 0.045 0.000 1.074 476 I HN -0.273 nan 8.210 nan 0.000 0.457 477 D N 0.457 120.916 120.400 0.100 0.000 2.355 477 D HA -0.081 4.559 4.640 -0.001 0.000 0.206 477 D C 1.799 178.148 176.300 0.081 0.000 1.010 477 D CA 0.205 54.248 54.000 0.072 0.000 0.875 477 D CB -0.205 40.630 40.800 0.058 0.000 0.966 477 D HN 0.497 nan 8.370 nan 0.000 0.512 478 W N 2.684 123.965 121.300 -0.032 0.000 2.315 478 W HA -0.270 4.390 4.660 -0.000 0.000 0.323 478 W C 2.028 178.503 176.519 -0.073 0.000 1.233 478 W CA 2.311 59.623 57.345 -0.055 0.000 1.267 478 W CB -0.416 29.025 29.460 -0.031 0.000 1.160 478 W HN -0.019 nan 8.180 nan 0.000 0.474 479 A N 0.899 123.839 122.820 0.200 0.000 1.892 479 A HA -0.279 4.040 4.320 -0.001 0.000 0.218 479 A C 1.736 179.271 177.584 -0.082 0.000 1.188 479 A CA 2.396 54.487 52.037 0.090 0.000 0.631 479 A CB -1.223 17.860 19.000 0.139 0.000 0.822 479 A HN 0.338 nan 8.150 nan 0.000 0.447 480 D N -1.071 119.290 120.400 -0.064 0.000 2.144 480 D HA -0.118 4.522 4.640 -0.001 0.000 0.200 480 D C 1.924 178.124 176.300 -0.166 0.000 0.978 480 D CA 1.441 55.389 54.000 -0.086 0.000 0.833 480 D CB -0.331 40.442 40.800 -0.046 0.000 0.961 480 D HN 0.753 nan 8.370 nan 0.000 0.470 481 E N -0.034 120.021 120.200 -0.243 0.000 2.072 481 E HA -0.152 4.197 4.350 -0.001 0.000 0.191 481 E C 1.912 178.202 176.600 -0.516 0.000 0.985 481 E CA 0.671 56.873 56.400 -0.330 0.000 0.801 481 E CB 0.083 29.576 29.700 -0.346 0.000 0.750 481 E HN 0.036 nan 8.360 nan 0.000 0.452 482 I N 1.036 121.178 120.570 -0.713 0.000 2.233 482 I HA -0.169 4.001 4.170 -0.001 0.000 0.243 482 I C 2.542 178.463 176.117 -0.327 0.000 1.093 482 I CA 1.128 61.973 61.300 -0.758 0.000 1.380 482 I CB -0.656 36.746 38.000 -0.997 0.000 1.067 482 I HN 0.074 nan 8.210 nan 0.000 0.413 483 R N 0.783 121.146 120.500 -0.228 0.000 2.083 483 R HA -0.170 4.170 4.340 -0.001 0.000 0.237 483 R C 2.356 178.614 176.300 -0.071 0.000 1.137 483 R CA 1.734 57.774 56.100 -0.101 0.000 0.951 483 R CB -0.364 29.897 30.300 -0.065 0.000 0.851 483 R HN 0.275 nan 8.270 nan 0.000 0.434 484 I N 0.715 121.231 120.570 -0.090 0.000 2.226 484 I HA -0.245 3.924 4.170 -0.001 0.000 0.245 484 I C 2.590 178.698 176.117 -0.015 0.000 1.100 484 I CA 1.274 62.544 61.300 -0.051 0.000 1.374 484 I CB -0.373 37.593 38.000 -0.057 0.000 1.057 484 I HN 0.311 nan 8.210 nan 0.000 0.413 485 A N 0.857 123.663 122.820 -0.024 0.000 1.908 485 A HA -0.171 4.148 4.320 -0.001 0.000 0.218 485 A C 2.285 180.001 177.584 0.220 0.000 1.181 485 A CA 1.499 53.613 52.037 0.127 0.000 0.627 485 A CB -0.820 18.249 19.000 0.114 0.000 0.818 485 A HN 0.396 nan 8.150 nan 0.000 0.445 486 L N -1.039 120.265 121.223 0.135 0.000 2.093 486 L HA -0.167 4.173 4.340 -0.001 0.000 0.208 486 L C 2.572 179.428 176.870 -0.024 0.000 1.085 486 L CA 1.462 56.311 54.840 0.014 0.000 0.755 486 L CB -0.559 41.501 42.059 0.002 0.000 0.904 486 L HN 0.449 nan 8.230 nan 0.000 0.435 487 E N 0.188 120.384 120.200 -0.006 0.000 2.077 487 E HA -0.239 4.111 4.350 -0.001 0.000 0.193 487 E C 2.092 178.688 176.600 -0.007 0.000 0.989 487 E CA 1.313 57.707 56.400 -0.010 0.000 0.800 487 E CB -0.016 29.679 29.700 -0.008 0.000 0.746 487 E HN 0.495 nan 8.360 nan 0.000 0.452 488 E N 0.331 120.536 120.200 0.010 0.000 2.077 488 E HA -0.201 4.149 4.350 -0.001 0.000 0.193 488 E C 2.138 178.740 176.600 0.003 0.000 0.989 488 E CA 0.717 57.126 56.400 0.016 0.000 0.800 488 E CB -0.007 29.717 29.700 0.040 0.000 0.746 488 E HN -0.045 nan 8.360 nan 0.000 0.452 489 R N 0.533 121.024 120.500 -0.015 0.000 2.120 489 R HA -0.066 4.274 4.340 -0.001 0.000 0.234 489 R C 1.884 178.136 176.300 -0.080 0.000 1.123 489 R CA 1.334 57.388 56.100 -0.078 0.000 0.975 489 R CB -0.299 29.860 30.300 -0.235 0.000 0.866 489 R HN 0.170 nan 8.270 nan 0.000 0.446 490 A N -0.899 121.884 122.820 -0.061 0.000 2.072 490 A HA 0.193 4.513 4.320 -0.001 0.000 0.216 490 A C 2.038 179.607 177.584 -0.025 0.000 1.156 490 A CA 1.080 53.091 52.037 -0.045 0.000 0.701 490 A CB -0.285 18.695 19.000 -0.034 0.000 0.816 490 A HN 0.356 nan 8.150 nan 0.000 0.458 491 A N -0.795 122.014 122.820 -0.018 0.000 2.030 491 A HA 0.376 4.695 4.320 -0.001 0.000 0.215 491 A C 1.253 178.832 177.584 -0.007 0.000 1.164 491 A CA 0.156 52.188 52.037 -0.009 0.000 0.697 491 A CB -0.279 18.719 19.000 -0.004 0.000 0.827 491 A HN 0.502 nan 8.150 nan 0.000 0.457 492 M N 0.212 119.806 119.600 -0.010 0.000 2.226 492 M HA 0.147 4.626 4.480 -0.001 0.000 0.324 492 M C 0.695 176.990 176.300 -0.009 0.000 1.112 492 M CA -0.145 55.151 55.300 -0.007 0.000 1.176 492 M CB 0.784 33.381 32.600 -0.004 0.000 1.430 492 M HN 0.235 nan 8.290 nan 0.000 0.462 493 S N 2.502 118.199 115.700 -0.005 0.000 2.525 493 S HA 0.111 4.580 4.470 -0.001 0.000 0.285 493 S C -1.422 173.173 174.600 -0.009 0.000 1.283 493 S CA -1.383 56.815 58.200 -0.004 0.000 1.072 493 S CB 0.412 63.613 63.200 0.001 0.000 0.867 493 S HN 0.450 nan 8.310 nan 0.000 0.492 494 P HA -0.071 nan 4.420 nan 0.000 0.220 494 P C 0.535 177.830 177.300 -0.010 0.000 1.148 494 P CA 0.935 64.024 63.100 -0.018 0.000 0.803 494 P CB 0.066 31.758 31.700 -0.014 0.000 0.782 495 D N 0.605 121.007 120.400 0.005 0.000 2.097 495 D HA -0.109 4.531 4.640 -0.001 0.000 0.195 495 D C 2.191 178.494 176.300 0.006 0.000 0.989 495 D CA 1.710 55.719 54.000 0.015 0.000 0.827 495 D CB -0.920 39.894 40.800 0.022 0.000 0.966 495 D HN 0.115 nan 8.370 nan 0.000 0.456 496 A N 0.474 123.294 122.820 0.001 0.000 1.930 496 A HA -0.068 4.252 4.320 -0.001 0.000 0.217 496 A C 2.356 179.937 177.584 -0.005 0.000 1.175 496 A CA 0.745 52.781 52.037 -0.001 0.000 0.627 496 A CB -0.708 18.292 19.000 0.000 0.000 0.815 496 A HN 0.182 nan 8.150 nan 0.000 0.443 497 L N -0.785 120.431 121.223 -0.012 0.000 2.046 497 L HA -0.159 4.180 4.340 -0.001 0.000 0.208 497 L C 2.777 179.632 176.870 -0.025 0.000 1.077 497 L CA 1.785 56.612 54.840 -0.020 0.000 0.747 497 L CB -0.857 41.179 42.059 -0.038 0.000 0.896 497 L HN 0.332 nan 8.230 nan 0.000 0.432 498 T N -0.469 114.067 114.554 -0.030 0.000 2.777 498 T HA -0.112 4.237 4.350 -0.001 0.000 0.266 498 T C 1.828 176.521 174.700 -0.011 0.000 1.040 498 T CA 1.288 63.368 62.100 -0.033 0.000 1.141 498 T CB -0.507 68.341 68.868 -0.032 0.000 0.868 498 T HN 0.556 nan 8.240 nan 0.000 0.444 499 G N 1.485 110.282 108.800 -0.005 0.000 2.418 499 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.217 499 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.217 499 G C 1.530 176.435 174.900 0.007 0.000 1.158 499 G CA 0.831 45.930 45.100 -0.002 0.000 0.771 499 G HN 0.416 nan 8.290 nan 0.000 0.545 500 L N 0.663 121.890 121.223 0.007 0.000 1.994 500 L HA -0.005 4.334 4.340 -0.001 0.000 0.208 500 L C 2.657 179.544 176.870 0.027 0.000 1.071 500 L CA 2.335 57.184 54.840 0.015 0.000 0.745 500 L CB -0.688 41.378 42.059 0.012 0.000 0.892 500 L HN 0.357 nan 8.230 nan 0.000 0.431 501 E N -0.445 119.767 120.200 0.020 0.000 2.153 501 E HA -0.179 4.171 4.350 -0.001 0.000 0.194 501 E C 2.129 178.780 176.600 0.085 0.000 0.988 501 E CA 1.080 57.497 56.400 0.028 0.000 0.811 501 E CB -0.336 29.362 29.700 -0.004 0.000 0.746 501 E HN 0.664 nan 8.360 nan 0.000 0.466 502 A N 1.037 123.910 122.820 0.088 0.000 2.067 502 A HA -0.128 4.192 4.320 -0.001 0.000 0.219 502 A C 1.771 179.476 177.584 0.200 0.000 1.158 502 A CA 1.054 53.182 52.037 0.151 0.000 0.661 502 A CB -0.145 18.879 19.000 0.040 0.000 0.801 502 A HN 0.153 nan 8.150 nan 0.000 0.452 503 N N -0.524 118.248 118.700 0.121 0.000 2.387 503 N HA 0.113 4.852 4.740 -0.001 0.000 0.176 503 N C 1.588 177.166 175.510 0.112 0.000 1.022 503 N CA 0.656 53.774 53.050 0.114 0.000 0.883 503 N CB 0.005 38.527 38.487 0.059 0.000 1.019 503 N HN 0.408 nan 8.380 nan 0.000 0.435 504 L N 0.976 122.244 121.223 0.074 0.000 2.131 504 L HA 0.037 4.376 4.340 -0.001 0.000 0.206 504 L C 2.321 179.176 176.870 -0.025 0.000 1.087 504 L CA 0.656 55.517 54.840 0.035 0.000 0.767 504 L CB -0.175 41.893 42.059 0.016 0.000 0.917 504 L HN 0.032 nan 8.230 nan 0.000 0.441 505 R N -0.233 120.236 120.500 -0.052 0.000 2.115 505 R HA -0.071 4.268 4.340 -0.001 0.000 0.230 505 R C 0.218 176.221 176.300 -0.495 0.000 1.111 505 R CA 0.955 56.888 56.100 -0.277 0.000 0.976 505 R CB -0.092 30.002 30.300 -0.344 0.000 0.870 505 R HN 0.110 nan 8.270 nan 0.000 0.445 506 F N 2.434 122.373 119.950 -0.019 0.000 2.395 506 F HA 0.127 4.654 4.527 -0.001 0.000 0.347 506 F C 0.612 176.422 175.800 0.017 0.000 1.157 506 F CA -0.894 57.103 58.000 -0.004 0.000 1.272 506 F CB 0.253 39.256 39.000 0.006 0.000 1.607 506 F HN 0.045 nan 8.300 nan 0.000 0.571 507 N N -0.165 118.566 118.700 0.052 0.000 2.313 507 N HA 0.284 5.023 4.740 -0.001 0.000 0.207 507 N C 0.893 176.530 175.510 0.212 0.000 1.141 507 N CA 0.478 53.601 53.050 0.122 0.000 0.830 507 N CB 0.559 39.069 38.487 0.039 0.000 1.008 507 N HN 0.571 nan 8.380 nan 0.000 0.481 508 G N 0.157 109.053 108.800 0.159 0.000 3.768 508 G HA2 0.098 4.058 3.960 -0.001 0.000 0.109 508 G HA3 0.098 4.058 3.960 -0.001 0.000 0.109 508 G C -2.403 172.561 174.900 0.106 0.000 1.126 508 G CA -0.322 44.865 45.100 0.144 0.000 1.143 508 G HN 0.375 nan 8.290 nan 0.000 0.407 509 P HA 0.484 nan 4.420 nan 0.000 0.275 509 P C -0.989 176.347 177.300 0.060 0.000 1.227 509 P CA 0.318 63.454 63.100 0.060 0.000 0.781 509 P CB 1.623 33.350 31.700 0.044 0.000 0.906 510 E N 0.752 120.966 120.200 0.022 0.000 2.244 510 E HA 0.496 4.846 4.350 -0.001 0.000 0.266 510 E C 0.031 176.594 176.600 -0.062 0.000 0.914 510 E CA -0.443 55.958 56.400 0.002 0.000 0.794 510 E CB 2.350 32.052 29.700 0.004 0.000 1.210 510 E HN 0.594 nan 8.360 nan 0.000 0.414 511 T N -2.369 112.132 114.554 -0.089 0.000 2.742 511 T HA 0.322 4.672 4.350 -0.001 0.000 0.282 511 T C 1.076 175.742 174.700 -0.057 0.000 1.025 511 T CA -0.740 61.272 62.100 -0.146 0.000 1.020 511 T CB 1.033 69.668 68.868 -0.388 0.000 1.317 511 T HN 0.463 nan 8.240 nan 0.000 0.538 512 M N 0.355 119.944 119.600 -0.018 0.000 2.108 512 M HA -0.102 4.378 4.480 -0.001 0.000 0.261 512 M C 1.734 178.010 176.300 -0.040 0.000 1.066 512 M CA 2.013 57.303 55.300 -0.015 0.000 1.107 512 M CB -0.422 32.184 32.600 0.009 0.000 1.356 512 M HN 0.778 nan 8.290 nan 0.000 0.406 513 E N -0.187 120.021 120.200 0.014 0.000 2.107 513 E HA -0.146 4.203 4.350 -0.001 0.000 0.191 513 E C 1.988 178.597 176.600 0.014 0.000 0.982 513 E CA 2.009 58.408 56.400 -0.003 0.000 0.809 513 E CB -0.563 29.231 29.700 0.157 0.000 0.756 513 E HN 0.687 nan 8.360 nan 0.000 0.459 514 T N -1.090 113.487 114.554 0.039 0.000 2.867 514 T HA -0.100 4.250 4.350 -0.001 0.000 0.268 514 T C 1.886 176.537 174.700 -0.081 0.000 1.057 514 T CA 0.839 62.918 62.100 -0.034 0.000 1.136 514 T CB -0.115 68.728 68.868 -0.041 0.000 0.874 514 T HN -0.010 nan 8.240 nan 0.000 0.466 515 R N 0.417 120.875 120.500 -0.070 0.000 2.092 515 R HA 0.185 4.524 4.340 -0.001 0.000 0.231 515 R C 2.507 178.742 176.300 -0.108 0.000 1.119 515 R CA 1.435 57.493 56.100 -0.069 0.000 0.970 515 R CB -0.536 29.732 30.300 -0.052 0.000 0.864 515 R HN 0.435 nan 8.270 nan 0.000 0.440 516 I N -0.248 120.205 120.570 -0.196 0.000 2.179 516 I HA -0.272 3.897 4.170 -0.001 0.000 0.242 516 I C 1.426 177.337 176.117 -0.343 0.000 1.088 516 I CA 1.405 62.508 61.300 -0.329 0.000 1.357 516 I CB -0.128 37.553 38.000 -0.533 0.000 1.051 516 I HN 0.077 nan 8.210 nan 0.000 0.409 517 F N 0.278 120.154 119.950 -0.125 0.000 2.615 517 F HA 0.098 4.624 4.527 -0.001 0.000 0.297 517 F C 1.956 177.651 175.800 -0.177 0.000 1.124 517 F CA 0.652 58.558 58.000 -0.158 0.000 1.451 517 F CB -0.815 38.049 39.000 -0.227 0.000 1.103 517 F HN -0.036 nan 8.300 nan 0.000 0.569 518 G N -0.532 108.254 108.800 -0.024 0.000 2.601 518 G HA2 0.041 4.001 3.960 -0.001 0.000 0.214 518 G HA3 0.041 4.001 3.960 -0.001 0.000 0.214 518 G C 1.476 176.375 174.900 -0.002 0.000 2.067 518 G CA 0.053 45.118 45.100 -0.057 0.000 0.774 518 G HN 0.051 nan 8.290 nan 0.000 0.729 519 R N -0.512 120.000 120.500 0.021 0.000 2.112 519 R HA -0.131 4.209 4.340 -0.001 0.000 0.242 519 R C 2.510 178.920 176.300 0.182 0.000 1.137 519 R CA 2.078 58.248 56.100 0.118 0.000 0.944 519 R CB -0.533 29.815 30.300 0.079 0.000 0.857 519 R HN 0.313 nan 8.270 nan 0.000 0.435 520 L N 0.119 121.383 121.223 0.067 0.000 2.023 520 L HA -0.067 4.273 4.340 -0.001 0.000 0.205 520 L C 2.122 179.032 176.870 0.066 0.000 1.073 520 L CA 2.173 57.045 54.840 0.053 0.000 0.745 520 L CB -0.764 41.275 42.059 -0.033 0.000 0.900 520 L HN 0.143 nan 8.230 nan 0.000 0.435 521 T N -0.068 114.498 114.554 0.021 0.000 2.821 521 T HA -0.082 4.267 4.350 -0.001 0.000 0.267 521 T C 1.865 176.587 174.700 0.036 0.000 1.046 521 T CA 1.198 63.310 62.100 0.020 0.000 1.139 521 T CB -0.425 68.472 68.868 0.049 0.000 0.871 521 T HN 0.508 nan 8.240 nan 0.000 0.454 522 A N 0.204 123.041 122.820 0.029 0.000 1.933 522 A HA -0.075 4.244 4.320 -0.001 0.000 0.218 522 A C 2.033 179.598 177.584 -0.031 0.000 1.175 522 A CA 1.156 53.178 52.037 -0.024 0.000 0.628 522 A CB -1.044 17.893 19.000 -0.106 0.000 0.814 522 A HN 0.659 nan 8.150 nan 0.000 0.444 523 W N -0.460 120.841 121.300 0.002 0.000 2.358 523 W HA -0.167 4.492 4.660 -0.001 0.000 0.303 523 W C 2.615 179.171 176.519 0.063 0.000 1.208 523 W CA 1.644 59.013 57.345 0.039 0.000 1.274 523 W CB -0.247 29.201 29.460 -0.019 0.000 1.138 523 W HN 0.458 nan 8.180 nan 0.000 0.515 524 Q N 0.674 120.557 119.800 0.138 0.000 2.096 524 Q HA -0.212 4.127 4.340 -0.001 0.000 0.204 524 Q C 1.730 177.557 176.000 -0.289 0.000 0.982 524 Q CA 1.964 57.648 55.803 -0.199 0.000 0.850 524 Q CB -0.544 27.974 28.738 -0.367 0.000 0.901 524 Q HN 0.139 nan 8.270 nan 0.000 0.422 525 N N -0.772 117.911 118.700 -0.028 0.000 2.188 525 N HA -0.139 4.601 4.740 -0.001 0.000 0.184 525 N C 1.057 176.753 175.510 0.310 0.000 1.018 525 N CA 1.268 54.428 53.050 0.183 0.000 0.858 525 N CB -0.662 37.941 38.487 0.193 0.000 0.989 525 N HN 0.449 nan 8.380 nan 0.000 0.426 526 W N 1.870 123.191 121.300 0.036 0.000 2.355 526 W HA 0.014 4.675 4.660 0.000 0.000 0.309 526 W C 1.866 178.433 176.519 0.081 0.000 1.206 526 W CA 1.018 58.373 57.345 0.016 0.000 1.284 526 W CB -0.424 28.961 29.460 -0.124 0.000 1.145 526 W HN -0.069 nan 8.180 nan 0.000 0.502 527 I N -0.188 120.444 120.570 0.102 0.000 2.208 527 I HA -0.340 3.830 4.170 -0.001 0.000 0.245 527 I C 2.242 178.368 176.117 0.016 0.000 1.097 527 I CA 1.195 62.439 61.300 -0.093 0.000 1.363 527 I CB -0.795 37.242 38.000 0.062 0.000 1.051 527 I HN -0.108 nan 8.210 nan 0.000 0.413 528 F N 0.689 120.678 119.950 0.064 0.000 2.333 528 F HA -0.174 4.353 4.527 -0.001 0.000 0.300 528 F C 1.967 177.822 175.800 0.091 0.000 1.083 528 F CA 1.162 59.242 58.000 0.132 0.000 1.395 528 F CB -1.192 37.964 39.000 0.260 0.000 1.056 528 F HN 0.204 nan 8.300 nan 0.000 0.529 529 N N -0.714 118.052 118.700 0.110 0.000 2.251 529 N HA 0.096 4.836 4.740 -0.001 0.000 0.217 529 N C -0.096 175.282 175.510 -0.219 0.000 1.124 529 N CA -0.037 52.885 53.050 -0.213 0.000 0.843 529 N CB 0.335 38.584 38.487 -0.396 0.000 1.024 529 N HN 0.068 nan 8.380 nan 0.000 0.501 530 R N -0.250 120.132 120.500 -0.197 0.000 2.807 530 R HA 0.295 4.635 4.340 -0.001 0.000 0.276 530 R C -1.864 174.374 176.300 -0.105 0.000 0.979 530 R CA -1.723 54.241 56.100 -0.226 0.000 0.928 530 R CB 1.616 31.652 30.300 -0.440 0.000 1.191 530 R HN -0.042 nan 8.270 nan 0.000 0.471 531 P HA -0.080 nan 4.420 nan 0.000 0.223 531 P C 0.151 177.487 177.300 0.060 0.000 1.151 531 P CA 1.043 64.142 63.100 -0.002 0.000 0.787 531 P CB 0.324 32.026 31.700 0.004 0.000 0.788 532 N N 0.506 119.243 118.700 0.061 0.000 2.149 532 N HA -0.134 4.606 4.740 -0.001 0.000 0.188 532 N C 1.798 177.441 175.510 0.221 0.000 1.019 532 N CA 1.802 54.974 53.050 0.202 0.000 0.857 532 N CB -0.823 37.658 38.487 -0.009 0.000 0.997 532 N HN 0.147 nan 8.380 nan 0.000 0.426 533 A N -0.202 122.674 122.820 0.094 0.000 1.887 533 A HA 0.062 4.382 4.320 -0.001 0.000 0.212 533 A C 1.837 179.483 177.584 0.104 0.000 1.198 533 A CA 1.385 53.494 52.037 0.120 0.000 0.628 533 A CB -0.118 18.960 19.000 0.131 0.000 0.847 533 A HN 0.183 nan 8.150 nan 0.000 0.449 534 V N -3.069 116.886 119.914 0.069 0.000 3.380 534 V HA 0.510 4.630 4.120 -0.001 0.000 0.307 534 V C 0.923 177.032 176.094 0.025 0.000 1.434 534 V CA 0.053 62.377 62.300 0.039 0.000 1.075 534 V CB -0.550 31.290 31.823 0.028 0.000 0.954 534 V HN 0.404 nan 8.190 nan 0.000 0.444 535 G N 0.259 109.080 108.800 0.034 0.000 2.634 535 G HA2 0.337 4.296 3.960 -0.001 0.000 0.255 535 G HA3 0.337 4.296 3.960 -0.001 0.000 0.255 535 G C 0.611 175.523 174.900 0.020 0.000 1.205 535 G CA -0.043 45.071 45.100 0.023 0.000 0.884 535 G HN 0.219 nan 8.290 nan 0.000 0.549 536 E N 0.119 120.325 120.200 0.011 0.000 2.160 536 E HA -0.099 4.251 4.350 -0.001 0.000 0.195 536 E C 1.289 177.892 176.600 0.006 0.000 0.991 536 E CA 1.028 57.432 56.400 0.008 0.000 0.810 536 E CB 0.123 29.824 29.700 0.003 0.000 0.742 536 E HN 0.320 nan 8.360 nan 0.000 0.466 537 K N 0.298 120.698 120.400 -0.001 0.000 2.618 537 K HA 0.262 4.582 4.320 -0.001 0.000 0.207 537 K C 0.523 177.105 176.600 -0.030 0.000 1.058 537 K CA -0.062 56.212 56.287 -0.021 0.000 1.086 537 K CB 0.876 33.354 32.500 -0.037 0.000 0.827 537 K HN 0.003 nan 8.250 nan 0.000 0.481 538 G N -0.042 108.769 108.800 0.018 0.000 2.563 538 G HA2 0.351 4.311 3.960 -0.001 0.000 0.283 538 G HA3 0.351 4.311 3.960 -0.001 0.000 0.283 538 G C 1.031 175.976 174.900 0.074 0.000 1.309 538 G CA 0.058 45.203 45.100 0.075 0.000 1.022 538 G HN 0.110 nan 8.290 nan 0.000 0.501 539 A N -0.774 122.156 122.820 0.184 0.000 1.902 539 A HA -0.010 4.309 4.320 -0.001 0.000 0.217 539 A C 2.425 180.067 177.584 0.096 0.000 1.181 539 A CA 1.335 53.471 52.037 0.165 0.000 0.623 539 A CB -0.511 18.660 19.000 0.285 0.000 0.818 539 A HN 0.489 nan 8.150 nan 0.000 0.443 540 L N -0.940 120.324 121.223 0.069 0.000 2.027 540 L HA -0.175 4.165 4.340 -0.001 0.000 0.206 540 L C 2.507 179.393 176.870 0.026 0.000 1.074 540 L CA 1.736 56.580 54.840 0.006 0.000 0.745 540 L CB -0.385 41.663 42.059 -0.019 0.000 0.898 540 L HN 0.326 nan 8.230 nan 0.000 0.433 541 K N -0.312 120.114 120.400 0.043 0.000 2.296 541 K HA -0.060 4.260 4.320 -0.001 0.000 0.200 541 K C 1.827 178.470 176.600 0.070 0.000 1.048 541 K CA 1.060 57.382 56.287 0.058 0.000 0.966 541 K CB 0.082 32.607 32.500 0.042 0.000 0.754 541 K HN 0.307 nan 8.250 nan 0.000 0.466 542 V N -1.541 118.405 119.914 0.053 0.000 3.306 542 V HA -0.036 4.084 4.120 -0.001 0.000 0.264 542 V C 0.730 176.855 176.094 0.051 0.000 1.149 542 V CA -0.061 62.259 62.300 0.033 0.000 1.143 542 V CB -1.234 30.580 31.823 -0.016 0.000 0.767 542 V HN 0.123 nan 8.190 nan 0.000 0.476 543 Y N 2.959 123.230 120.300 -0.048 0.000 2.805 543 Y HA 0.381 4.931 4.550 -0.001 0.000 0.331 543 Y C 1.450 177.348 175.900 -0.002 0.000 1.241 543 Y CA 1.068 59.115 58.100 -0.089 0.000 1.546 543 Y CB 0.043 38.354 38.460 -0.248 0.000 1.248 543 Y HN 0.517 nan 8.280 nan 0.000 0.559 544 G N 4.498 112.863 108.800 -0.725 0.000 2.205 544 G HA2 -0.358 3.601 3.960 -0.001 0.000 0.261 544 G HA3 -0.358 3.601 3.960 -0.001 0.000 0.261 544 G C 1.166 175.968 174.900 -0.163 0.000 0.980 544 G CA 0.592 45.390 45.100 -0.503 0.000 0.632 544 G HN 0.657 nan 8.290 nan 0.000 0.533 545 K N 0.134 120.475 120.400 -0.099 0.000 2.361 545 K HA 0.355 4.674 4.320 -0.001 0.000 0.196 545 K C 1.906 178.476 176.600 -0.051 0.000 1.039 545 K CA 0.643 56.906 56.287 -0.041 0.000 1.001 545 K CB 0.007 32.501 32.500 -0.010 0.000 0.795 545 K HN 1.306 nan 8.250 nan 0.000 0.495 546 G N 2.080 110.838 108.800 -0.070 0.000 2.147 546 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.244 546 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.244 546 G C 0.026 174.898 174.900 -0.046 0.000 1.005 546 G CA 0.535 45.602 45.100 -0.056 0.000 0.713 546 G HN 0.417 nan 8.290 nan 0.000 0.515 547 S N -1.402 114.269 115.700 -0.049 0.000 2.689 547 S HA 0.864 5.334 4.470 -0.001 0.000 0.306 547 S C -0.382 174.179 174.600 -0.064 0.000 1.104 547 S CA -1.022 57.148 58.200 -0.050 0.000 0.973 547 S CB 2.501 65.674 63.200 -0.045 0.000 1.121 547 S HN 0.170 nan 8.310 nan 0.000 0.523 548 K N 1.098 121.450 120.400 -0.081 0.000 2.156 548 K HA 0.646 4.966 4.320 -0.001 0.000 0.271 548 K C 0.188 176.675 176.600 -0.189 0.000 0.995 548 K CA -0.546 55.669 56.287 -0.120 0.000 0.890 548 K CB 1.344 33.777 32.500 -0.111 0.000 1.073 548 K HN 0.870 nan 8.250 nan 0.000 0.454 549 A N 3.049 125.693 122.820 -0.293 0.000 2.483 549 A HA 0.034 4.353 4.320 -0.001 0.000 0.238 549 A C -0.154 177.074 177.584 -0.592 0.000 1.070 549 A CA 0.153 51.908 52.037 -0.469 0.000 0.770 549 A CB 0.024 18.586 19.000 -0.729 0.000 1.008 549 A HN 0.644 nan 8.150 nan 0.000 0.497 550 Q N 0.689 120.243 119.800 -0.411 0.000 2.340 550 Q HA 0.489 4.828 4.340 -0.001 0.000 0.259 550 Q C -1.644 174.253 176.000 -0.172 0.000 0.964 550 Q CA -0.056 55.587 55.803 -0.266 0.000 0.900 550 Q CB 1.234 29.909 28.738 -0.105 0.000 1.228 550 Q HN 0.591 nan 8.270 nan 0.000 0.449 551 F N 1.003 120.959 119.950 0.009 0.000 2.469 551 F HA 0.172 4.699 4.527 -0.001 0.000 0.332 551 F C 0.360 176.167 175.800 0.012 0.000 1.103 551 F CA -1.875 56.131 58.000 0.010 0.000 0.979 551 F CB 1.200 40.209 39.000 0.016 0.000 1.137 551 F HN 0.409 nan 8.300 nan 0.000 0.463 552 D N 1.713 122.247 120.400 0.224 0.000 2.371 552 D HA 0.125 4.764 4.640 -0.001 0.000 0.256 552 D C 0.846 177.219 176.300 0.121 0.000 1.193 552 D CA 0.010 54.087 54.000 0.128 0.000 0.881 552 D CB 1.366 42.215 40.800 0.081 0.000 1.143 552 D HN 0.367 nan 8.370 nan 0.000 0.473 553 V N 1.337 121.315 119.914 0.106 0.000 3.541 553 V HA 0.185 4.304 4.120 -0.001 0.000 0.267 553 V C 0.629 176.761 176.094 0.064 0.000 1.213 553 V CA -0.056 62.298 62.300 0.090 0.000 1.149 553 V CB -0.512 31.364 31.823 0.089 0.000 0.822 553 V HN 0.344 nan 8.190 nan 0.000 0.462 554 S N 2.409 118.149 115.700 0.066 0.000 2.545 554 S HA 0.509 4.978 4.470 -0.001 0.000 0.275 554 S C 0.189 174.840 174.600 0.085 0.000 1.299 554 S CA -0.577 57.663 58.200 0.067 0.000 1.048 554 S CB 0.695 63.934 63.200 0.064 0.000 0.938 554 S HN 0.487 nan 8.310 nan 0.000 0.496 555 R N 1.401 121.949 120.500 0.079 0.000 2.577 555 R HA 0.608 4.948 4.340 -0.001 0.000 0.269 555 R C -0.116 176.255 176.300 0.119 0.000 1.084 555 R CA -0.439 55.721 56.100 0.099 0.000 1.163 555 R CB 0.167 30.504 30.300 0.062 0.000 1.100 555 R HN 0.399 nan 8.270 nan 0.000 0.547 556 V N 0.000 120.003 119.914 0.148 0.000 2.409 556 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 556 V CA 0.000 62.378 62.300 0.130 0.000 1.235 556 V CB 0.000 31.980 31.823 0.261 0.000 1.184 556 V HN 0.000 nan 8.190 nan 0.000 0.556