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 3kfu_1_D DATA FIRST_RESID 1 DATA SEQUENCE MRVLVRDLKA HVGQEVELLG FLHWRRDLGR IQFLLLRDRS GVVQVVTGGL DATA SEQUENCE KLPLPESALR VRGLVVENAK APGGLEVQAK EVEVLSPALE PTPVEIPKEE DATA SEQUENCE WRANPDTLLE YRYVTLRGEK ARAPLKVQAA LVRGFRRYLD RQDFTEIFTP DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXQ LYKQIMVGVF ERVYEVAPVW DATA SEQUENCE RXXXXXXXXX LNEYLSLDVE MGFIADEEDL MRLEEALLAE MLEEALNTAG DATA SEQUENCE DEIRLLGATW PSFPQDIPRL THAEAKRILK EELGYPVGQD LSEEAERLLG DATA SEQUENCE EYAKERWGSD WLFVTRYPRS VRPFYTYPEE DGTTRSFDLL FRGLEITSGG DATA SEQUENCE QRIHRYEELL ESLXXXXXXP EAFHGYLEVF KYGMPPHGGF AIGAERLTQK DATA SEQUENCE LLGLPNVRYA RAFPRD 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.283 176.300 -0.028 0.000 1.140 1 M CA 0.000 55.296 55.300 -0.006 0.000 0.988 1 M CB 0.000 32.606 32.600 0.011 0.000 1.302 2 R N 2.898 123.380 120.500 -0.031 0.000 2.543 2 R HA 0.702 5.042 4.340 -0.000 0.000 0.277 2 R C -1.406 174.850 176.300 -0.074 0.000 1.074 2 R CA -0.151 55.920 56.100 -0.048 0.000 1.076 2 R CB 0.717 30.996 30.300 -0.034 0.000 0.993 2 R HN 0.609 nan 8.270 nan 0.000 0.459 3 V N 6.097 125.944 119.914 -0.112 0.000 2.495 3 V HA 0.326 4.446 4.120 -0.000 0.000 0.298 3 V C 0.232 176.271 176.094 -0.092 0.000 1.031 3 V CA -0.813 61.390 62.300 -0.162 0.000 0.871 3 V CB 1.747 33.364 31.823 -0.343 0.000 0.988 3 V HN 0.688 nan 8.190 nan 0.000 0.432 4 L N 3.449 124.639 121.223 -0.056 0.000 2.439 4 L HA 0.327 4.666 4.340 -0.000 0.000 0.261 4 L C 1.448 178.310 176.870 -0.014 0.000 1.153 4 L CA -0.357 54.471 54.840 -0.020 0.000 0.808 4 L CB 1.255 43.316 42.059 0.003 0.000 1.126 4 L HN 0.439 nan 8.230 nan 0.000 0.460 5 V N 1.278 121.193 119.914 0.001 0.000 2.469 5 V HA -0.251 3.869 4.120 -0.000 0.000 0.251 5 V C 2.383 178.488 176.094 0.018 0.000 1.064 5 V CA 2.197 64.502 62.300 0.009 0.000 1.066 5 V CB -0.942 30.890 31.823 0.015 0.000 0.667 5 V HN 0.907 nan 8.190 nan 0.000 0.461 6 R N 0.181 120.693 120.500 0.021 0.000 2.316 6 R HA -0.048 4.292 4.340 -0.000 0.000 0.202 6 R C 0.560 176.883 176.300 0.039 0.000 1.029 6 R CA 1.437 57.553 56.100 0.027 0.000 1.018 6 R CB -0.220 30.095 30.300 0.025 0.000 0.888 6 R HN 0.388 nan 8.270 nan 0.000 0.471 7 D N 0.350 120.777 120.400 0.046 0.000 2.501 7 D HA 0.133 4.773 4.640 -0.000 0.000 0.224 7 D C 1.232 177.621 176.300 0.148 0.000 1.202 7 D CA -0.096 53.958 54.000 0.090 0.000 0.829 7 D CB 0.523 41.378 40.800 0.093 0.000 1.023 7 D HN 0.203 nan 8.370 nan 0.000 0.499 8 L N 1.026 122.303 121.223 0.090 0.000 2.072 8 L HA -0.111 4.229 4.340 -0.000 0.000 0.205 8 L C 2.500 179.449 176.870 0.132 0.000 1.079 8 L CA 0.816 55.715 54.840 0.099 0.000 0.752 8 L CB -0.225 41.864 42.059 0.049 0.000 0.906 8 L HN 0.015 nan 8.230 nan 0.000 0.436 9 K N 0.870 121.324 120.400 0.088 0.000 2.286 9 K HA -0.150 4.170 4.320 -0.000 0.000 0.203 9 K C 1.591 178.222 176.600 0.052 0.000 1.045 9 K CA 1.641 57.965 56.287 0.061 0.000 0.935 9 K CB -0.598 31.925 32.500 0.039 0.000 0.737 9 K HN 0.263 nan 8.250 nan 0.000 0.460 10 A N 1.299 124.162 122.820 0.071 0.000 2.251 10 A HA 0.001 4.321 4.320 -0.000 0.000 0.209 10 A C 0.708 178.169 177.584 -0.206 0.000 1.187 10 A CA 0.042 52.052 52.037 -0.045 0.000 0.823 10 A CB -0.362 18.603 19.000 -0.057 0.000 0.846 10 A HN 0.408 nan 8.150 nan 0.000 0.486 11 H N -1.057 118.018 119.070 0.008 0.000 2.916 11 H HA 0.175 4.731 4.556 -0.000 0.000 0.262 11 H C -0.267 175.066 175.328 0.009 0.000 1.178 11 H CA -0.243 55.810 56.048 0.008 0.000 1.090 11 H CB 0.518 30.285 29.762 0.008 0.000 1.657 11 H HN 0.162 nan 8.280 nan 0.000 0.601 12 V N 1.111 121.077 119.914 0.086 0.000 2.720 12 V HA 0.007 4.127 4.120 -0.000 0.000 0.307 12 V C 1.596 177.716 176.094 0.044 0.000 1.071 12 V CA 1.737 64.071 62.300 0.058 0.000 1.199 12 V CB 0.411 32.255 31.823 0.035 0.000 0.900 12 V HN 0.821 nan 8.190 nan 0.000 0.494 13 G N 3.095 111.920 108.800 0.042 0.000 2.184 13 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.264 13 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.264 13 G C 0.135 175.057 174.900 0.036 0.000 0.975 13 G CA 0.525 45.644 45.100 0.031 0.000 0.642 13 G HN 0.717 nan 8.290 nan 0.000 0.536 14 Q N -0.416 119.418 119.800 0.057 0.000 2.240 14 Q HA 0.616 4.956 4.340 -0.000 0.000 0.260 14 Q C -0.426 175.610 176.000 0.060 0.000 1.018 14 Q CA -0.833 55.010 55.803 0.067 0.000 0.898 14 Q CB 1.274 30.078 28.738 0.108 0.000 1.301 14 Q HN 0.215 nan 8.270 nan 0.000 0.469 15 E N 1.067 121.297 120.200 0.050 0.000 2.167 15 E HA 0.314 4.663 4.350 -0.000 0.000 0.284 15 E C -1.274 175.338 176.600 0.019 0.000 1.016 15 E CA -0.468 55.949 56.400 0.028 0.000 0.817 15 E CB 0.920 30.631 29.700 0.019 0.000 1.080 15 E HN 0.412 nan 8.360 nan 0.000 0.397 16 V N 1.128 121.037 119.914 -0.008 0.000 3.046 16 V HA 0.646 4.766 4.120 -0.000 0.000 0.316 16 V C -0.503 175.563 176.094 -0.047 0.000 1.104 16 V CA -0.976 61.292 62.300 -0.053 0.000 1.006 16 V CB 1.870 33.631 31.823 -0.104 0.000 1.058 16 V HN 0.742 nan 8.190 nan 0.000 0.440 17 E N 1.791 121.954 120.200 -0.063 0.000 2.191 17 E HA 0.590 4.940 4.350 -0.000 0.000 0.263 17 E C -1.622 174.944 176.600 -0.056 0.000 0.881 17 E CA -0.707 55.664 56.400 -0.049 0.000 0.757 17 E CB 1.754 31.430 29.700 -0.040 0.000 1.147 17 E HN 0.801 nan 8.360 nan 0.000 0.414 18 L N 4.999 126.195 121.223 -0.045 0.000 2.322 18 L HA 0.530 4.870 4.340 -0.000 0.000 0.279 18 L C -0.466 176.375 176.870 -0.048 0.000 1.036 18 L CA -0.974 53.840 54.840 -0.043 0.000 0.807 18 L CB 1.266 43.309 42.059 -0.028 0.000 1.226 18 L HN 0.507 nan 8.230 nan 0.000 0.433 19 L N 2.293 123.484 121.223 -0.053 0.000 2.376 19 L HA 0.829 5.169 4.340 -0.000 0.000 0.275 19 L C 0.104 176.915 176.870 -0.099 0.000 0.987 19 L CA -0.214 54.576 54.840 -0.083 0.000 0.828 19 L CB 1.796 43.807 42.059 -0.079 0.000 1.249 19 L HN 0.827 nan 8.230 nan 0.000 0.409 20 G N 1.761 110.460 108.800 -0.169 0.000 2.435 20 G HA2 0.496 4.456 3.960 -0.000 0.000 0.296 20 G HA3 0.496 4.456 3.960 -0.000 0.000 0.296 20 G C -1.941 172.737 174.900 -0.370 0.000 1.240 20 G CA -0.479 44.504 45.100 -0.194 0.000 0.872 20 G HN 0.154 nan 8.290 nan 0.000 0.480 21 F N -0.412 119.578 119.950 0.066 0.000 2.507 21 F HA 0.594 5.121 4.527 -0.000 0.000 0.327 21 F C 0.212 176.072 175.800 0.101 0.000 1.068 21 F CA -0.890 57.157 58.000 0.078 0.000 0.965 21 F CB 2.000 41.054 39.000 0.091 0.000 1.192 21 F HN 0.279 nan 8.300 nan 0.000 0.476 22 L N 2.805 124.187 121.223 0.265 0.000 2.448 22 L HA 0.122 4.462 4.340 -0.000 0.000 0.278 22 L C 1.157 178.173 176.870 0.243 0.000 1.201 22 L CA 0.358 55.314 54.840 0.194 0.000 1.036 22 L CB -1.269 40.851 42.059 0.103 0.000 1.325 22 L HN 0.698 nan 8.230 nan 0.000 0.441 23 H N 4.714 123.905 119.070 0.202 0.000 2.353 23 H HA -0.051 4.505 4.556 -0.000 0.000 0.300 23 H C -0.284 175.259 175.328 0.359 0.000 1.090 23 H CA 2.318 58.500 56.048 0.223 0.000 1.327 23 H CB 0.278 30.153 29.762 0.188 0.000 1.383 23 H HN 0.643 nan 8.280 nan 0.000 0.508 24 W N -0.064 121.303 121.300 0.112 0.000 3.298 24 W HA 0.267 4.927 4.660 -0.000 0.000 0.302 24 W C -1.427 175.146 176.519 0.090 0.000 1.255 24 W CA -0.760 56.613 57.345 0.048 0.000 1.196 24 W CB 1.091 30.582 29.460 0.052 0.000 1.364 24 W HN 0.109 nan 8.180 nan 0.000 0.566 25 R N 2.903 123.017 120.500 -0.644 0.000 2.621 25 R HA 0.749 5.089 4.340 -0.000 0.000 0.284 25 R C -1.472 174.597 176.300 -0.386 0.000 0.998 25 R CA -1.052 54.839 56.100 -0.347 0.000 0.895 25 R CB 2.276 32.407 30.300 -0.281 0.000 1.195 25 R HN 0.452 nan 8.270 nan 0.000 0.450 26 R N 1.848 122.341 120.500 -0.013 0.000 2.371 26 R HA 0.171 4.511 4.340 -0.000 0.000 0.312 26 R C -1.444 174.937 176.300 0.136 0.000 0.980 26 R CA -0.832 55.324 56.100 0.094 0.000 0.867 26 R CB 1.545 31.982 30.300 0.229 0.000 1.163 26 R HN 0.650 nan 8.270 nan 0.000 0.492 27 D N 3.304 123.728 120.400 0.041 0.000 2.317 27 D HA 0.172 4.812 4.640 -0.000 0.000 0.234 27 D C -0.107 176.227 176.300 0.057 0.000 1.112 27 D CA -0.435 53.583 54.000 0.029 0.000 0.840 27 D CB 1.189 41.975 40.800 -0.024 0.000 1.078 27 D HN 0.282 nan 8.370 nan 0.000 0.486 28 L N 3.425 124.691 121.223 0.072 0.000 3.014 28 L HA 0.513 4.853 4.340 -0.000 0.000 0.263 28 L C 1.397 178.289 176.870 0.037 0.000 1.207 28 L CA 0.304 55.190 54.840 0.076 0.000 1.017 28 L CB 0.403 42.544 42.059 0.137 0.000 1.360 28 L HN 0.800 nan 8.230 nan 0.000 0.560 29 G N 0.114 108.921 108.800 0.012 0.000 3.185 29 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.242 29 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.242 29 G C 1.064 175.953 174.900 -0.017 0.000 1.754 29 G CA -0.029 45.071 45.100 -0.001 0.000 1.225 29 G HN 0.136 nan 8.290 nan 0.000 0.539 30 R N 0.554 121.045 120.500 -0.016 0.000 2.316 30 R HA 0.401 4.741 4.340 -0.000 0.000 0.202 30 R C 0.875 177.142 176.300 -0.055 0.000 1.029 30 R CA 0.955 57.038 56.100 -0.029 0.000 1.018 30 R CB 0.115 30.404 30.300 -0.019 0.000 0.888 30 R HN 0.492 nan 8.270 nan 0.000 0.471 31 I N 0.859 121.389 120.570 -0.066 0.000 2.656 31 I HA 0.156 4.326 4.170 -0.000 0.000 0.292 31 I C -1.583 174.430 176.117 -0.172 0.000 1.144 31 I CA -0.806 60.404 61.300 -0.149 0.000 1.038 31 I CB 1.822 39.724 38.000 -0.163 0.000 1.244 31 I HN 0.024 nan 8.210 nan 0.000 0.420 32 Q N 5.510 125.139 119.800 -0.284 0.000 2.456 32 Q HA 0.548 4.888 4.340 -0.000 0.000 0.283 32 Q C -1.998 173.772 176.000 -0.382 0.000 1.084 32 Q CA -0.825 54.859 55.803 -0.197 0.000 0.801 32 Q CB 2.710 31.398 28.738 -0.084 0.000 1.434 32 Q HN 0.500 nan 8.270 nan 0.000 0.419 33 F N 1.077 121.034 119.950 0.010 0.000 2.449 33 F HA 0.412 4.939 4.527 -0.000 0.000 0.342 33 F C -0.659 175.163 175.800 0.037 0.000 1.127 33 F CA -0.961 57.060 58.000 0.035 0.000 0.975 33 F CB 1.518 40.556 39.000 0.063 0.000 1.146 33 F HN 0.276 nan 8.300 nan 0.000 0.444 34 L N 4.897 126.230 121.223 0.183 0.000 2.309 34 L HA 0.425 4.764 4.340 -0.000 0.000 0.282 34 L C -0.557 176.432 176.870 0.198 0.000 1.036 34 L CA -0.718 54.210 54.840 0.147 0.000 0.806 34 L CB 1.538 43.645 42.059 0.080 0.000 1.220 34 L HN 0.404 nan 8.230 nan 0.000 0.429 35 L N 5.180 126.547 121.223 0.240 0.000 2.262 35 L HA 0.427 4.767 4.340 -0.000 0.000 0.288 35 L C -0.069 176.941 176.870 0.232 0.000 1.035 35 L CA -0.166 54.823 54.840 0.248 0.000 0.820 35 L CB 1.358 43.631 42.059 0.356 0.000 1.204 35 L HN 0.462 nan 8.230 nan 0.000 0.424 36 L N 5.098 126.413 121.223 0.152 0.000 2.265 36 L HA 0.449 4.789 4.340 -0.000 0.000 0.289 36 L C 0.254 177.193 176.870 0.114 0.000 1.033 36 L CA -0.404 54.519 54.840 0.137 0.000 0.814 36 L CB 0.940 43.049 42.059 0.084 0.000 1.203 36 L HN 0.630 nan 8.230 nan 0.000 0.423 37 R N 4.003 124.607 120.500 0.173 0.000 2.312 37 R HA 0.335 4.675 4.340 -0.000 0.000 0.311 37 R C -1.130 175.285 176.300 0.193 0.000 1.004 37 R CA -0.485 55.695 56.100 0.133 0.000 0.902 37 R CB 0.988 31.379 30.300 0.152 0.000 1.073 37 R HN 0.782 nan 8.270 nan 0.000 0.457 38 D N 2.691 123.166 120.400 0.125 0.000 2.727 38 D HA 0.091 4.731 4.640 -0.000 0.000 0.264 38 D C 0.417 176.785 176.300 0.113 0.000 1.101 38 D CA -0.812 53.269 54.000 0.134 0.000 1.122 38 D CB 0.436 41.277 40.800 0.068 0.000 1.390 38 D HN 0.621 nan 8.370 nan 0.000 0.606 39 R N -0.630 119.931 120.500 0.102 0.000 2.328 39 R HA 0.013 4.353 4.340 -0.000 0.000 0.207 39 R C 0.914 177.247 176.300 0.055 0.000 1.056 39 R CA 1.378 57.527 56.100 0.082 0.000 1.016 39 R CB -0.517 29.830 30.300 0.080 0.000 0.872 39 R HN 0.342 nan 8.270 nan 0.000 0.471 40 S N -1.529 114.198 115.700 0.045 0.000 2.559 40 S HA 0.424 4.894 4.470 -0.000 0.000 0.226 40 S C 0.626 175.239 174.600 0.022 0.000 1.000 40 S CA -0.086 58.133 58.200 0.032 0.000 0.948 40 S CB 1.082 64.299 63.200 0.028 0.000 0.870 40 S HN 0.647 nan 8.310 nan 0.000 0.497 41 G N 0.680 109.491 108.800 0.018 0.000 2.357 41 G HA2 0.310 4.270 3.960 -0.000 0.000 0.289 41 G HA3 0.310 4.270 3.960 -0.000 0.000 0.289 41 G C -1.166 173.725 174.900 -0.015 0.000 1.302 41 G CA -0.324 44.774 45.100 -0.004 0.000 0.936 41 G HN 1.308 nan 8.290 nan 0.000 0.513 42 V N -2.251 117.638 119.914 -0.042 0.000 2.628 42 V HA 0.924 5.044 4.120 -0.000 0.000 0.306 42 V C -0.297 175.797 176.094 -0.001 0.000 1.045 42 V CA -0.471 61.801 62.300 -0.046 0.000 0.905 42 V CB 1.294 33.024 31.823 -0.156 0.000 0.997 42 V HN 2.094 nan 8.190 nan 0.000 0.436 43 V N 4.128 124.060 119.914 0.029 0.000 2.823 43 V HA 0.553 4.673 4.120 -0.000 0.000 0.312 43 V C -0.368 175.773 176.094 0.077 0.000 1.072 43 V CA -0.514 61.813 62.300 0.046 0.000 0.937 43 V CB 2.006 33.852 31.823 0.039 0.000 1.013 43 V HN 1.237 nan 8.190 nan 0.000 0.430 44 Q N 3.075 122.930 119.800 0.092 0.000 2.267 44 Q HA 0.609 4.948 4.340 -0.000 0.000 0.255 44 Q C -1.508 174.568 176.000 0.128 0.000 0.923 44 Q CA -0.374 55.512 55.803 0.139 0.000 0.925 44 Q CB 1.656 30.493 28.738 0.164 0.000 1.195 44 Q HN 0.693 nan 8.270 nan 0.000 0.417 45 V N 4.553 124.546 119.914 0.132 0.000 2.495 45 V HA 0.434 4.554 4.120 -0.000 0.000 0.298 45 V C -0.468 175.650 176.094 0.040 0.000 1.031 45 V CA -0.764 61.581 62.300 0.074 0.000 0.871 45 V CB 1.865 33.716 31.823 0.047 0.000 0.988 45 V HN 0.605 nan 8.190 nan 0.000 0.432 46 V N 3.743 123.641 119.914 -0.027 0.000 2.581 46 V HA 0.862 4.982 4.120 -0.000 0.000 0.303 46 V C 0.186 176.183 176.094 -0.161 0.000 1.041 46 V CA 0.041 62.233 62.300 -0.180 0.000 0.907 46 V CB 1.721 33.436 31.823 -0.180 0.000 0.994 46 V HN 1.073 nan 8.190 nan 0.000 0.442 47 T N 1.828 116.247 114.554 -0.226 0.000 2.663 47 T HA 0.767 5.117 4.350 -0.000 0.000 0.297 47 T C -0.734 173.864 174.700 -0.170 0.000 1.505 47 T CA 0.193 62.203 62.100 -0.150 0.000 1.024 47 T CB 1.351 70.161 68.868 -0.097 0.000 1.865 47 T HN 1.438 nan 8.240 nan 0.000 0.453 48 G N -1.804 106.928 108.800 -0.113 0.000 2.519 48 G HA2 0.580 4.540 3.960 -0.000 0.000 0.292 48 G HA3 0.580 4.540 3.960 -0.000 0.000 0.292 48 G C 0.542 175.403 174.900 -0.064 0.000 1.507 48 G CA 0.717 45.759 45.100 -0.097 0.000 0.806 48 G HN 1.923 nan 8.290 nan 0.000 0.523 49 G N -0.011 108.758 108.800 -0.053 0.000 5.306 49 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.318 49 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.318 49 G C 1.001 175.879 174.900 -0.037 0.000 1.413 49 G CA 1.075 46.152 45.100 -0.039 0.000 0.981 49 G HN 2.137 nan 8.290 nan 0.000 0.788 50 L N 0.199 121.400 121.223 -0.036 0.000 2.640 50 L HA 0.308 4.648 4.340 -0.000 0.000 0.300 50 L C 0.738 177.587 176.870 -0.035 0.000 1.259 50 L CA 0.282 55.102 54.840 -0.032 0.000 0.879 50 L CB -0.117 41.923 42.059 -0.032 0.000 1.125 50 L HN 0.400 nan 8.230 nan 0.000 0.507 51 K N 3.790 124.171 120.400 -0.030 0.000 2.451 51 K HA 0.314 4.634 4.320 -0.000 0.000 0.280 51 K C -0.594 175.985 176.600 -0.035 0.000 1.020 51 K CA 0.004 56.272 56.287 -0.033 0.000 1.008 51 K CB 0.420 32.904 32.500 -0.027 0.000 0.917 51 K HN 0.471 nan 8.250 nan 0.000 0.478 52 L N 5.472 126.668 121.223 -0.044 0.000 2.307 52 L HA 0.359 4.699 4.340 -0.000 0.000 0.284 52 L C -1.941 174.901 176.870 -0.047 0.000 1.023 52 L CA -2.416 52.396 54.840 -0.046 0.000 0.810 52 L CB 1.191 43.215 42.059 -0.059 0.000 1.231 52 L HN 0.425 nan 8.230 nan 0.000 0.423 53 P HA 0.080 nan 4.420 nan 0.000 0.270 53 P C -0.272 177.004 177.300 -0.041 0.000 1.227 53 P CA -0.403 62.681 63.100 -0.026 0.000 0.788 53 P CB 0.473 32.169 31.700 -0.007 0.000 0.926 54 L N 1.995 123.197 121.223 -0.035 0.000 2.499 54 L HA 0.082 4.422 4.340 -0.000 0.000 0.281 54 L C -1.832 175.018 176.870 -0.033 0.000 1.234 54 L CA -1.455 53.355 54.840 -0.050 0.000 0.839 54 L CB -0.467 41.574 42.059 -0.029 0.000 1.104 54 L HN 0.284 nan 8.230 nan 0.000 0.500 55 P HA -0.032 nan 4.420 nan 0.000 0.266 55 P C -0.012 177.317 177.300 0.049 0.000 1.193 55 P CA 0.364 63.461 63.100 -0.005 0.000 0.770 55 P CB 0.518 32.222 31.700 0.007 0.000 0.836 56 E N -0.898 119.365 120.200 0.105 0.000 4.217 56 E HA -0.126 4.224 4.350 -0.000 0.000 0.365 56 E C -0.676 176.070 176.600 0.242 0.000 0.647 56 E CA 0.850 57.336 56.400 0.143 0.000 1.399 56 E CB -1.966 27.765 29.700 0.052 0.000 1.766 56 E HN 0.385 nan 8.360 nan 0.000 0.394 57 S N 0.218 116.027 115.700 0.182 0.000 2.548 57 S HA 0.646 5.116 4.470 -0.000 0.000 0.277 57 S C 0.367 175.055 174.600 0.147 0.000 1.315 57 S CA -0.044 58.247 58.200 0.152 0.000 1.050 57 S CB 1.446 64.687 63.200 0.068 0.000 0.918 57 S HN 0.483 nan 8.310 nan 0.000 0.497 58 A N 3.745 126.603 122.820 0.063 0.000 2.450 58 A HA 0.547 4.866 4.320 -0.000 0.000 0.255 58 A C -0.230 177.279 177.584 -0.126 0.000 1.096 58 A CA -0.156 51.768 52.037 -0.188 0.000 0.778 58 A CB -0.204 18.665 19.000 -0.219 0.000 1.031 58 A HN 0.812 nan 8.150 nan 0.000 0.494 59 L N 1.799 122.924 121.223 -0.163 0.000 2.350 59 L HA 0.659 4.999 4.340 -0.000 0.000 0.260 59 L C 0.201 177.015 176.870 -0.094 0.000 1.015 59 L CA -0.736 54.051 54.840 -0.088 0.000 0.821 59 L CB 2.282 44.316 42.059 -0.042 0.000 1.370 59 L HN 0.858 nan 8.230 nan 0.000 0.416 60 R N 1.515 121.978 120.500 -0.062 0.000 2.451 60 R HA 0.670 5.010 4.340 -0.000 0.000 0.307 60 R C -2.029 174.249 176.300 -0.037 0.000 0.965 60 R CA -0.417 55.651 56.100 -0.053 0.000 0.865 60 R CB 1.755 32.027 30.300 -0.048 0.000 1.174 60 R HN 0.416 nan 8.270 nan 0.000 0.455 61 V N 5.370 125.264 119.914 -0.033 0.000 2.407 61 V HA 0.445 4.565 4.120 -0.000 0.000 0.291 61 V C -0.152 175.927 176.094 -0.024 0.000 1.018 61 V CA -0.770 61.516 62.300 -0.024 0.000 0.842 61 V CB 1.534 33.347 31.823 -0.015 0.000 0.996 61 V HN 0.672 nan 8.190 nan 0.000 0.426 62 R N 3.099 123.586 120.500 -0.021 0.000 2.255 62 R HA 0.727 5.067 4.340 -0.000 0.000 0.326 62 R C 0.001 176.293 176.300 -0.014 0.000 0.986 62 R CA 0.029 56.118 56.100 -0.019 0.000 0.847 62 R CB 1.489 31.779 30.300 -0.017 0.000 1.111 62 R HN 0.941 nan 8.270 nan 0.000 0.452 63 G N 2.658 111.451 108.800 -0.012 0.000 2.606 63 G HA2 0.319 4.279 3.960 -0.000 0.000 0.300 63 G HA3 0.319 4.279 3.960 -0.000 0.000 0.300 63 G C -2.214 172.687 174.900 0.001 0.000 1.360 63 G CA -0.766 44.330 45.100 -0.006 0.000 0.783 63 G HN 0.467 nan 8.290 nan 0.000 0.484 64 L N 0.926 122.153 121.223 0.006 0.000 2.282 64 L HA 0.694 5.034 4.340 -0.000 0.000 0.288 64 L C 0.058 176.941 176.870 0.022 0.000 1.033 64 L CA -0.643 54.206 54.840 0.016 0.000 0.807 64 L CB 1.615 43.683 42.059 0.014 0.000 1.209 64 L HN 0.339 nan 8.230 nan 0.000 0.423 65 V N 5.915 125.849 119.914 0.033 0.000 2.637 65 V HA 0.407 4.526 4.120 -0.000 0.000 0.296 65 V C 0.006 176.124 176.094 0.039 0.000 1.046 65 V CA -0.226 62.099 62.300 0.041 0.000 1.066 65 V CB 1.135 32.994 31.823 0.061 0.000 0.968 65 V HN 0.593 nan 8.190 nan 0.000 0.483 66 V N 3.920 123.858 119.914 0.039 0.000 2.888 66 V HA 0.355 4.475 4.120 -0.000 0.000 0.309 66 V C -0.292 175.825 176.094 0.039 0.000 1.114 66 V CA -0.924 61.398 62.300 0.036 0.000 0.940 66 V CB 2.240 34.084 31.823 0.035 0.000 1.021 66 V HN 0.908 nan 8.190 nan 0.000 0.426 67 E N 2.592 122.812 120.200 0.034 0.000 2.313 67 E HA 0.447 4.797 4.350 -0.000 0.000 0.276 67 E C -0.554 176.067 176.600 0.036 0.000 1.031 67 E CA -0.163 56.257 56.400 0.033 0.000 0.857 67 E CB 1.081 30.797 29.700 0.026 0.000 1.040 67 E HN 0.623 nan 8.360 nan 0.000 0.408 68 N N 0.686 119.408 118.700 0.037 0.000 2.777 68 N HA 0.178 4.917 4.740 -0.000 0.000 0.260 68 N C -0.177 175.354 175.510 0.035 0.000 1.113 68 N CA -0.042 53.032 53.050 0.041 0.000 0.996 68 N CB 0.938 39.459 38.487 0.058 0.000 1.584 68 N HN 0.430 nan 8.380 nan 0.000 0.573 69 A N 3.046 125.882 122.820 0.027 0.000 1.940 69 A HA -0.162 4.157 4.320 -0.000 0.000 0.219 69 A C 1.668 179.262 177.584 0.017 0.000 1.176 69 A CA 1.344 53.392 52.037 0.019 0.000 0.631 69 A CB -0.244 18.764 19.000 0.014 0.000 0.814 69 A HN 0.751 nan 8.150 nan 0.000 0.446 70 K N -0.027 120.385 120.400 0.020 0.000 2.209 70 K HA 0.061 4.381 4.320 -0.000 0.000 0.204 70 K C 0.971 177.574 176.600 0.005 0.000 1.048 70 K CA 0.592 56.884 56.287 0.008 0.000 0.940 70 K CB -0.431 32.077 32.500 0.014 0.000 0.729 70 K HN 0.470 nan 8.250 nan 0.000 0.451 71 A N 2.687 125.525 122.820 0.030 0.000 2.388 71 A HA 0.253 4.573 4.320 -0.000 0.000 0.257 71 A C -2.395 175.205 177.584 0.027 0.000 1.095 71 A CA -1.471 50.590 52.037 0.040 0.000 0.791 71 A CB -0.013 19.027 19.000 0.067 0.000 1.029 71 A HN -0.070 nan 8.150 nan 0.000 0.489 72 P HA 0.281 nan 4.420 nan 0.000 0.267 72 P C 0.948 178.262 177.300 0.023 0.000 1.209 72 P CA 1.710 64.822 63.100 0.021 0.000 0.763 72 P CB 0.684 32.399 31.700 0.024 0.000 0.816 73 G N 3.138 111.948 108.800 0.017 0.000 2.179 73 G HA2 -0.157 3.802 3.960 -0.000 0.000 0.260 73 G HA3 -0.157 3.802 3.960 -0.000 0.000 0.260 73 G C 0.935 175.848 174.900 0.021 0.000 0.977 73 G CA 0.330 45.441 45.100 0.018 0.000 0.641 73 G HN 1.007 nan 8.290 nan 0.000 0.533 74 G N -1.438 107.376 108.800 0.023 0.000 2.184 74 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.264 74 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.264 74 G C 0.297 175.217 174.900 0.032 0.000 0.975 74 G CA 0.952 46.067 45.100 0.025 0.000 0.642 74 G HN 1.468 nan 8.290 nan 0.000 0.536 75 L N 0.320 121.565 121.223 0.037 0.000 2.362 75 L HA 0.783 5.123 4.340 -0.000 0.000 0.271 75 L C 0.051 176.952 176.870 0.052 0.000 1.002 75 L CA -0.899 53.967 54.840 0.043 0.000 0.818 75 L CB 2.043 44.126 42.059 0.040 0.000 1.298 75 L HN 0.522 nan 8.230 nan 0.000 0.420 76 E N 1.438 121.672 120.200 0.057 0.000 2.413 76 E HA 0.669 5.019 4.350 -0.000 0.000 0.277 76 E C -1.867 174.765 176.600 0.054 0.000 0.958 76 E CA -0.890 55.552 56.400 0.069 0.000 0.779 76 E CB 2.601 32.358 29.700 0.096 0.000 1.278 76 E HN 0.187 nan 8.360 nan 0.000 0.456 77 V N 1.724 121.668 119.914 0.050 0.000 2.448 77 V HA 0.232 4.352 4.120 -0.000 0.000 0.295 77 V C -0.560 175.545 176.094 0.019 0.000 1.025 77 V CA -0.730 61.588 62.300 0.030 0.000 0.859 77 V CB 1.455 33.291 31.823 0.022 0.000 0.988 77 V HN 0.639 nan 8.190 nan 0.000 0.431 78 Q N 3.363 123.169 119.800 0.009 0.000 2.361 78 Q HA 0.586 4.926 4.340 -0.000 0.000 0.250 78 Q C 0.164 176.156 176.000 -0.013 0.000 1.023 78 Q CA -0.248 55.550 55.803 -0.008 0.000 0.915 78 Q CB 1.506 30.241 28.738 -0.005 0.000 1.238 78 Q HN 0.891 nan 8.270 nan 0.000 0.451 79 A N 2.967 125.773 122.820 -0.023 0.000 2.388 79 A HA 0.155 4.474 4.320 -0.000 0.000 0.257 79 A C 0.377 177.947 177.584 -0.024 0.000 1.095 79 A CA -0.187 51.837 52.037 -0.022 0.000 0.791 79 A CB 0.478 19.462 19.000 -0.026 0.000 1.029 79 A HN 0.810 nan 8.150 nan 0.000 0.489 80 K N 0.106 120.495 120.400 -0.019 0.000 2.391 80 K HA 0.175 4.495 4.320 -0.000 0.000 0.197 80 K C 0.099 176.688 176.600 -0.019 0.000 1.087 80 K CA 0.432 56.708 56.287 -0.018 0.000 1.012 80 K CB 0.787 33.279 32.500 -0.013 0.000 0.925 80 K HN 0.813 nan 8.250 nan 0.000 0.547 81 E N 0.924 121.113 120.200 -0.019 0.000 2.321 81 E HA 0.212 4.562 4.350 -0.000 0.000 0.281 81 E C -1.793 174.794 176.600 -0.021 0.000 0.910 81 E CA -0.502 55.887 56.400 -0.019 0.000 0.770 81 E CB 2.230 31.920 29.700 -0.017 0.000 1.225 81 E HN -0.208 nan 8.360 nan 0.000 0.417 82 V N 4.232 124.133 119.914 -0.022 0.000 2.325 82 V HA 0.294 4.414 4.120 -0.000 0.000 0.280 82 V C -0.262 175.819 176.094 -0.022 0.000 1.016 82 V CA -0.662 61.625 62.300 -0.023 0.000 0.818 82 V CB 1.293 33.102 31.823 -0.023 0.000 1.019 82 V HN 0.651 nan 8.190 nan 0.000 0.434 83 E N 3.723 123.909 120.200 -0.024 0.000 2.231 83 E HA 0.598 4.948 4.350 -0.000 0.000 0.277 83 E C -1.293 175.291 176.600 -0.027 0.000 0.999 83 E CA -0.573 55.812 56.400 -0.024 0.000 0.827 83 E CB 2.007 31.692 29.700 -0.025 0.000 1.101 83 E HN 0.453 nan 8.360 nan 0.000 0.393 84 V N 6.730 126.631 119.914 -0.023 0.000 2.328 84 V HA 0.129 4.249 4.120 -0.000 0.000 0.278 84 V C 0.998 177.078 176.094 -0.022 0.000 1.021 84 V CA -0.337 61.950 62.300 -0.021 0.000 0.838 84 V CB 1.006 32.821 31.823 -0.013 0.000 0.999 84 V HN 0.788 nan 8.190 nan 0.000 0.447 85 L N 2.531 123.734 121.223 -0.034 0.000 2.307 85 L HA 0.251 4.591 4.340 -0.000 0.000 0.211 85 L C 0.959 177.819 176.870 -0.015 0.000 1.099 85 L CA 0.845 55.666 54.840 -0.033 0.000 0.816 85 L CB 0.236 42.260 42.059 -0.059 0.000 0.952 85 L HN 0.675 nan 8.230 nan 0.000 0.455 86 S N -0.438 115.259 115.700 -0.005 0.000 2.481 86 S HA 0.351 4.821 4.470 -0.000 0.000 0.262 86 S C -2.739 171.884 174.600 0.037 0.000 1.061 86 S CA -0.936 57.276 58.200 0.021 0.000 1.039 86 S CB 1.096 64.318 63.200 0.037 0.000 1.170 86 S HN -0.217 nan 8.310 nan 0.000 0.437 87 P HA 0.414 nan 4.420 nan 0.000 0.275 87 P C -0.907 176.419 177.300 0.043 0.000 1.227 87 P CA -0.329 62.789 63.100 0.030 0.000 0.781 87 P CB 0.727 32.436 31.700 0.016 0.000 0.906 88 A N 3.098 125.946 122.820 0.046 0.000 2.363 88 A HA 0.271 4.591 4.320 -0.000 0.000 0.270 88 A C 1.140 178.741 177.584 0.028 0.000 1.121 88 A CA -0.362 51.703 52.037 0.047 0.000 0.800 88 A CB -0.350 18.680 19.000 0.049 0.000 1.052 88 A HN 0.607 nan 8.150 nan 0.000 0.493 89 L N 0.749 121.990 121.223 0.029 0.000 2.162 89 L HA 0.114 4.454 4.340 -0.000 0.000 0.205 89 L C 0.709 177.587 176.870 0.013 0.000 1.086 89 L CA 0.904 55.756 54.840 0.019 0.000 0.778 89 L CB -0.276 41.796 42.059 0.022 0.000 0.928 89 L HN 0.727 nan 8.230 nan 0.000 0.446 90 E N -0.747 119.463 120.200 0.017 0.000 2.369 90 E HA 0.395 4.745 4.350 -0.000 0.000 0.270 90 E C -2.445 174.156 176.600 0.001 0.000 0.909 90 E CA -2.180 54.225 56.400 0.009 0.000 0.775 90 E CB 1.337 31.046 29.700 0.015 0.000 1.270 90 E HN -0.159 nan 8.360 nan 0.000 0.445 91 P HA 0.005 nan 4.420 nan 0.000 0.269 91 P C -0.580 176.698 177.300 -0.037 0.000 1.215 91 P CA -0.204 62.884 63.100 -0.019 0.000 0.780 91 P CB 0.251 31.939 31.700 -0.020 0.000 0.898 92 T N -0.030 114.493 114.554 -0.051 0.000 2.918 92 T HA 0.160 4.510 4.350 -0.000 0.000 0.302 92 T C -1.631 172.952 174.700 -0.195 0.000 1.045 92 T CA -1.168 60.864 62.100 -0.113 0.000 1.114 92 T CB -0.133 68.663 68.868 -0.120 0.000 0.965 92 T HN 0.221 nan 8.240 nan 0.000 0.540 93 P HA 0.009 nan 4.420 nan 0.000 0.216 93 P C -0.072 176.957 177.300 -0.452 0.000 1.150 93 P CA 0.586 63.350 63.100 -0.562 0.000 0.843 93 P CB 0.045 30.909 31.700 -1.393 0.000 0.787 94 V N -0.693 118.989 119.914 -0.388 0.000 2.769 94 V HA 0.210 4.330 4.120 -0.000 0.000 0.312 94 V C 0.099 176.062 176.094 -0.219 0.000 1.061 94 V CA -1.009 61.129 62.300 -0.271 0.000 0.931 94 V CB 2.128 33.806 31.823 -0.242 0.000 1.010 94 V HN -0.155 nan 8.190 nan 0.000 0.433 95 E N 2.646 122.710 120.200 -0.226 0.000 1.791 95 E HA 0.203 4.552 4.350 -0.000 0.000 0.263 95 E C 0.836 177.242 176.600 -0.323 0.000 1.213 95 E CA -0.063 56.188 56.400 -0.249 0.000 0.991 95 E CB 0.334 29.838 29.700 -0.328 0.000 1.068 95 E HN 0.528 nan 8.360 nan 0.000 0.417 96 I N 3.747 124.165 120.570 -0.254 0.000 2.113 96 I HA -0.290 3.880 4.170 -0.000 0.000 0.242 96 I C -0.738 175.208 176.117 -0.285 0.000 1.064 96 I CA 1.397 62.549 61.300 -0.246 0.000 1.320 96 I CB -1.204 36.672 38.000 -0.206 0.000 1.028 96 I HN 0.372 nan 8.210 nan 0.000 0.406 97 P HA -0.182 nan 4.420 nan 0.000 0.216 97 P C 0.751 177.865 177.300 -0.310 0.000 1.150 97 P CA 1.556 64.462 63.100 -0.323 0.000 0.843 97 P CB -0.090 31.275 31.700 -0.558 0.000 0.787 98 K N -0.227 119.839 120.400 -0.557 0.000 2.627 98 K HA 0.088 4.408 4.320 -0.000 0.000 0.212 98 K C 0.249 176.264 176.600 -0.975 0.000 1.041 98 K CA 0.101 55.822 56.287 -0.943 0.000 1.205 98 K CB -0.098 31.738 32.500 -1.107 0.000 0.936 98 K HN 0.394 nan 8.250 nan 0.000 0.489 99 E N 0.542 120.486 120.200 -0.427 0.000 2.280 99 E HA 0.068 4.418 4.350 -0.000 0.000 0.264 99 E C 0.357 176.969 176.600 0.021 0.000 1.064 99 E CA -0.303 55.966 56.400 -0.218 0.000 0.900 99 E CB 1.091 30.714 29.700 -0.129 0.000 1.123 99 E HN 0.143 nan 8.360 nan 0.000 0.418 100 E N 1.065 121.341 120.200 0.126 0.000 2.112 100 E HA -0.084 4.266 4.350 -0.000 0.000 0.190 100 E C 0.647 177.292 176.600 0.076 0.000 0.979 100 E CA 0.362 56.814 56.400 0.086 0.000 0.814 100 E CB -0.072 29.715 29.700 0.144 0.000 0.762 100 E HN 0.492 nan 8.360 nan 0.000 0.460 101 W N 1.442 122.739 121.300 -0.006 0.000 1.959 101 W HA -0.159 4.501 4.660 -0.000 0.000 0.352 101 W C 1.017 177.520 176.519 -0.026 0.000 1.348 101 W CA 0.156 57.493 57.345 -0.014 0.000 1.411 101 W CB 0.406 29.852 29.460 -0.023 0.000 1.318 101 W HN -0.011 nan 8.180 nan 0.000 0.669 102 R N -0.467 119.795 120.500 -0.397 0.000 3.785 102 R HA -0.194 4.146 4.340 -0.000 0.000 0.476 102 R C -0.987 175.154 176.300 -0.266 0.000 0.905 102 R CA 1.752 57.518 56.100 -0.558 0.000 1.412 102 R CB -2.097 27.460 30.300 -1.238 0.000 2.077 102 R HN 1.405 nan 8.270 nan 0.000 0.504 103 A N 0.303 123.026 122.820 -0.161 0.000 2.437 103 A HA 0.650 4.970 4.320 -0.000 0.000 0.293 103 A C -0.773 176.807 177.584 -0.006 0.000 1.038 103 A CA -0.546 51.444 52.037 -0.079 0.000 0.708 103 A CB 0.901 19.839 19.000 -0.105 0.000 1.251 103 A HN 0.219 nan 8.150 nan 0.000 0.409 104 N N 2.737 121.448 118.700 0.017 0.000 2.329 104 N HA 0.073 4.813 4.740 -0.000 0.000 0.237 104 N C -1.670 173.866 175.510 0.043 0.000 1.258 104 N CA -0.872 52.201 53.050 0.039 0.000 0.866 104 N CB 0.447 38.955 38.487 0.036 0.000 1.102 104 N HN 0.317 nan 8.380 nan 0.000 0.440 105 P HA -0.108 nan 4.420 nan 0.000 0.215 105 P C 0.437 177.749 177.300 0.020 0.000 1.157 105 P CA 1.325 64.478 63.100 0.088 0.000 0.868 105 P CB 0.256 32.041 31.700 0.141 0.000 0.788 106 D N -1.743 118.668 120.400 0.019 0.000 2.310 106 D HA -0.063 4.577 4.640 -0.000 0.000 0.212 106 D C 1.622 177.904 176.300 -0.029 0.000 0.965 106 D CA 1.087 55.082 54.000 -0.009 0.000 0.879 106 D CB -0.493 40.307 40.800 0.001 0.000 0.921 106 D HN 0.201 nan 8.370 nan 0.000 0.510 107 T N 0.811 115.363 114.554 -0.003 0.000 2.894 107 T HA 0.040 4.390 4.350 -0.000 0.000 0.258 107 T C 2.244 176.968 174.700 0.039 0.000 1.043 107 T CA 0.163 62.280 62.100 0.027 0.000 1.141 107 T CB 0.016 68.934 68.868 0.084 0.000 0.873 107 T HN 0.118 nan 8.240 nan 0.000 0.449 108 L N 0.801 122.022 121.223 -0.003 0.000 2.081 108 L HA -0.071 4.269 4.340 -0.000 0.000 0.212 108 L C 2.424 179.245 176.870 -0.081 0.000 1.080 108 L CA 1.125 55.940 54.840 -0.041 0.000 0.754 108 L CB -0.581 41.418 42.059 -0.101 0.000 0.893 108 L HN 0.245 nan 8.230 nan 0.000 0.433 109 L N -0.423 120.733 121.223 -0.112 0.000 2.156 109 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 109 L C 2.277 179.089 176.870 -0.097 0.000 1.095 109 L CA 1.030 55.801 54.840 -0.115 0.000 0.770 109 L CB 0.022 42.014 42.059 -0.112 0.000 0.914 109 L HN 0.161 nan 8.230 nan 0.000 0.439 110 E N -0.919 119.180 120.200 -0.167 0.000 2.482 110 E HA -0.099 4.251 4.350 -0.000 0.000 0.196 110 E C 0.063 176.375 176.600 -0.481 0.000 1.047 110 E CA 0.836 57.039 56.400 -0.329 0.000 0.869 110 E CB 0.113 29.529 29.700 -0.474 0.000 0.836 110 E HN 0.591 nan 8.360 nan 0.000 0.520 111 Y N -1.424 118.836 120.300 -0.067 0.000 2.715 111 Y HA 0.256 4.806 4.550 -0.000 0.000 0.255 111 Y C 1.501 177.182 175.900 -0.365 0.000 1.139 111 Y CA -0.725 57.224 58.100 -0.251 0.000 1.151 111 Y CB 0.570 38.853 38.460 -0.295 0.000 1.201 111 Y HN -0.179 nan 8.280 nan 0.000 0.556 112 R N 0.678 121.166 120.500 -0.021 0.000 2.159 112 R HA -0.273 4.067 4.340 -0.000 0.000 0.252 112 R C 1.666 177.982 176.300 0.028 0.000 1.144 112 R CA 2.385 58.486 56.100 0.001 0.000 0.961 112 R CB -1.161 29.204 30.300 0.109 0.000 0.877 112 R HN 0.739 nan 8.270 nan 0.000 0.444 113 Y N -1.673 118.734 120.300 0.179 0.000 2.556 113 Y HA -0.050 4.500 4.550 -0.000 0.000 0.290 113 Y C 1.979 177.937 175.900 0.096 0.000 1.149 113 Y CA 0.828 59.038 58.100 0.183 0.000 1.329 113 Y CB -0.388 38.157 38.460 0.142 0.000 0.975 113 Y HN -0.076 nan 8.280 nan 0.000 0.561 114 V N -0.376 119.338 119.914 -0.333 0.000 3.229 114 V HA -0.076 4.044 4.120 -0.000 0.000 0.239 114 V C 2.122 178.096 176.094 -0.200 0.000 1.390 114 V CA 1.201 63.352 62.300 -0.249 0.000 1.231 114 V CB 0.047 31.663 31.823 -0.346 0.000 1.025 114 V HN 0.579 nan 8.190 nan 0.000 0.461 115 T N -1.231 113.199 114.554 -0.206 0.000 2.915 115 T HA -0.117 4.233 4.350 -0.000 0.000 0.269 115 T C 1.936 176.563 174.700 -0.120 0.000 1.071 115 T CA 1.676 63.687 62.100 -0.150 0.000 1.132 115 T CB -0.515 68.279 68.868 -0.123 0.000 0.878 115 T HN 0.377 nan 8.240 nan 0.000 0.479 116 L N 0.288 121.439 121.223 -0.121 0.000 2.349 116 L HA 0.000 4.340 4.340 -0.000 0.000 0.220 116 L C 2.845 179.661 176.870 -0.089 0.000 1.130 116 L CA 1.014 55.784 54.840 -0.117 0.000 0.791 116 L CB -0.252 41.720 42.059 -0.144 0.000 0.918 116 L HN 0.307 nan 8.230 nan 0.000 0.444 117 R N -0.452 119.990 120.500 -0.097 0.000 2.236 117 R HA 0.020 4.360 4.340 -0.000 0.000 0.208 117 R C 1.088 177.368 176.300 -0.033 0.000 1.036 117 R CA 0.352 56.392 56.100 -0.099 0.000 1.001 117 R CB -0.287 29.908 30.300 -0.175 0.000 0.896 117 R HN 0.295 nan 8.270 nan 0.000 0.464 118 G N 0.721 109.509 108.800 -0.019 0.000 2.491 118 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.238 118 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.238 118 G C 0.354 175.276 174.900 0.037 0.000 1.277 118 G CA -0.386 44.738 45.100 0.040 0.000 0.851 118 G HN 0.187 nan 8.290 nan 0.000 0.573 119 E N 0.935 121.168 120.200 0.054 0.000 2.085 119 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 119 E C 2.218 178.837 176.600 0.032 0.000 0.994 119 E CA 1.145 57.560 56.400 0.026 0.000 0.801 119 E CB 0.058 29.759 29.700 0.002 0.000 0.743 119 E HN 0.547 nan 8.360 nan 0.000 0.453 120 K N -0.097 120.329 120.400 0.043 0.000 2.296 120 K HA 0.031 4.351 4.320 -0.000 0.000 0.200 120 K C 1.995 178.627 176.600 0.054 0.000 1.048 120 K CA 0.576 56.895 56.287 0.053 0.000 0.966 120 K CB 0.172 32.712 32.500 0.068 0.000 0.754 120 K HN 0.013 nan 8.250 nan 0.000 0.466 121 A N 2.389 125.228 122.820 0.032 0.000 1.872 121 A HA -0.178 4.142 4.320 -0.000 0.000 0.214 121 A C 2.077 179.657 177.584 -0.007 0.000 1.187 121 A CA 1.253 53.294 52.037 0.007 0.000 0.614 121 A CB -0.369 18.611 19.000 -0.034 0.000 0.826 121 A HN 0.344 nan 8.150 nan 0.000 0.442 122 R N -0.590 119.905 120.500 -0.008 0.000 2.236 122 R HA 0.305 4.645 4.340 -0.000 0.000 0.208 122 R C 2.020 178.327 176.300 0.011 0.000 1.036 122 R CA 1.022 57.115 56.100 -0.013 0.000 1.001 122 R CB -0.532 29.763 30.300 -0.009 0.000 0.896 122 R HN 0.287 nan 8.270 nan 0.000 0.464 123 A N 3.025 125.861 122.820 0.028 0.000 1.859 123 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 123 A C -0.228 177.384 177.584 0.048 0.000 1.198 123 A CA 1.283 53.345 52.037 0.041 0.000 0.629 123 A CB -1.458 17.571 19.000 0.049 0.000 0.830 123 A HN 0.301 nan 8.150 nan 0.000 0.446 124 P HA -0.148 nan 4.420 nan 0.000 0.216 124 P C 1.462 178.786 177.300 0.040 0.000 1.153 124 P CA 0.986 64.118 63.100 0.054 0.000 0.858 124 P CB -0.189 31.548 31.700 0.062 0.000 0.789 125 L N -0.983 120.252 121.223 0.020 0.000 2.083 125 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 125 L C 2.484 179.370 176.870 0.027 0.000 1.083 125 L CA 1.422 56.268 54.840 0.009 0.000 0.752 125 L CB -0.785 41.261 42.059 -0.022 0.000 0.899 125 L HN -0.067 nan 8.230 nan 0.000 0.433 126 K N 0.344 120.764 120.400 0.034 0.000 2.097 126 K HA -0.106 4.213 4.320 -0.000 0.000 0.205 126 K C 1.818 178.452 176.600 0.057 0.000 1.050 126 K CA 1.300 57.614 56.287 0.044 0.000 0.938 126 K CB -0.360 32.167 32.500 0.045 0.000 0.718 126 K HN 0.034 nan 8.250 nan 0.000 0.442 127 V N 0.921 120.874 119.914 0.065 0.000 2.358 127 V HA -0.203 3.917 4.120 -0.000 0.000 0.246 127 V C 2.542 178.682 176.094 0.076 0.000 1.047 127 V CA 2.076 64.427 62.300 0.085 0.000 1.035 127 V CB -0.499 31.386 31.823 0.104 0.000 0.658 127 V HN 0.514 nan 8.190 nan 0.000 0.452 128 Q N -0.026 119.809 119.800 0.058 0.000 2.181 128 Q HA -0.218 4.121 4.340 -0.000 0.000 0.205 128 Q C 2.192 178.219 176.000 0.044 0.000 0.980 128 Q CA 1.893 57.722 55.803 0.045 0.000 0.862 128 Q CB -0.247 28.509 28.738 0.031 0.000 0.905 128 Q HN 0.644 nan 8.270 nan 0.000 0.429 129 A N 0.634 123.483 122.820 0.048 0.000 1.902 129 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 129 A C 2.266 179.889 177.584 0.065 0.000 1.181 129 A CA 1.602 53.671 52.037 0.053 0.000 0.623 129 A CB -0.932 18.100 19.000 0.053 0.000 0.818 129 A HN 0.559 nan 8.150 nan 0.000 0.443 130 A N -0.122 122.741 122.820 0.070 0.000 1.877 130 A HA -0.038 4.281 4.320 -0.000 0.000 0.216 130 A C 2.148 179.783 177.584 0.086 0.000 1.186 130 A CA 1.456 53.541 52.037 0.080 0.000 0.620 130 A CB -0.683 18.370 19.000 0.089 0.000 0.822 130 A HN 0.469 nan 8.150 nan 0.000 0.443 131 L N -0.403 120.870 121.223 0.083 0.000 2.081 131 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 131 L C 2.435 179.359 176.870 0.090 0.000 1.080 131 L CA 1.246 56.133 54.840 0.078 0.000 0.754 131 L CB -0.555 41.537 42.059 0.054 0.000 0.893 131 L HN 0.265 nan 8.230 nan 0.000 0.433 132 V N -0.709 119.249 119.914 0.074 0.000 2.591 132 V HA -0.187 3.933 4.120 -0.000 0.000 0.249 132 V C 2.593 178.777 176.094 0.149 0.000 1.053 132 V CA 1.300 63.654 62.300 0.090 0.000 1.068 132 V CB -0.598 31.247 31.823 0.037 0.000 0.689 132 V HN 0.415 nan 8.190 nan 0.000 0.462 133 R N 0.506 121.073 120.500 0.111 0.000 2.081 133 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 133 R C 2.346 178.703 176.300 0.094 0.000 1.131 133 R CA 1.783 57.944 56.100 0.101 0.000 0.960 133 R CB -0.687 29.663 30.300 0.082 0.000 0.856 133 R HN 0.533 nan 8.270 nan 0.000 0.436 134 G N 0.390 109.248 108.800 0.097 0.000 2.421 134 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.216 134 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.216 134 G C 1.279 176.219 174.900 0.067 0.000 1.171 134 G CA 0.668 45.815 45.100 0.079 0.000 0.775 134 G HN 0.416 nan 8.290 nan 0.000 0.543 135 F N 1.722 121.635 119.950 -0.062 0.000 2.063 135 F HA -0.188 4.339 4.527 -0.000 0.000 0.298 135 F C 2.885 178.547 175.800 -0.230 0.000 1.109 135 F CA 2.230 60.152 58.000 -0.130 0.000 1.212 135 F CB -0.092 38.839 39.000 -0.116 0.000 0.973 135 F HN 0.013 nan 8.300 nan 0.000 0.480 136 R N -0.309 120.127 120.500 -0.107 0.000 2.062 136 R HA -0.109 4.231 4.340 -0.000 0.000 0.229 136 R C 2.496 178.662 176.300 -0.224 0.000 1.128 136 R CA 1.244 57.160 56.100 -0.307 0.000 0.960 136 R CB -0.563 29.759 30.300 0.037 0.000 0.855 136 R HN 0.294 nan 8.270 nan 0.000 0.432 137 R N 0.193 120.651 120.500 -0.070 0.000 2.094 137 R HA -0.246 4.094 4.340 -0.000 0.000 0.239 137 R C 2.175 178.438 176.300 -0.062 0.000 1.137 137 R CA 2.007 58.090 56.100 -0.029 0.000 0.943 137 R CB -0.495 29.817 30.300 0.020 0.000 0.850 137 R HN 0.235 nan 8.270 nan 0.000 0.433 138 Y N 1.213 121.398 120.300 -0.192 0.000 2.049 138 Y HA -0.239 4.310 4.550 -0.000 0.000 0.277 138 Y C 2.156 177.910 175.900 -0.245 0.000 1.143 138 Y CA 2.066 60.049 58.100 -0.196 0.000 1.115 138 Y CB -0.530 37.797 38.460 -0.221 0.000 0.975 138 Y HN 0.046 nan 8.280 nan 0.000 0.487 139 L N 0.052 121.102 121.223 -0.289 0.000 2.081 139 L HA -0.294 4.046 4.340 -0.000 0.000 0.212 139 L C 2.161 178.951 176.870 -0.134 0.000 1.080 139 L CA 1.554 56.113 54.840 -0.468 0.000 0.754 139 L CB -0.701 40.751 42.059 -1.012 0.000 0.893 139 L HN 0.320 nan 8.230 nan 0.000 0.433 140 D N -0.105 120.222 120.400 -0.120 0.000 2.092 140 D HA -0.219 4.421 4.640 -0.000 0.000 0.193 140 D C 2.228 178.511 176.300 -0.028 0.000 0.994 140 D CA 1.235 55.245 54.000 0.017 0.000 0.828 140 D CB -0.149 40.663 40.800 0.019 0.000 0.963 140 D HN 0.214 nan 8.370 nan 0.000 0.450 141 R N 0.358 120.788 120.500 -0.118 0.000 2.193 141 R HA -0.131 4.209 4.340 -0.000 0.000 0.229 141 R C 1.119 177.328 176.300 -0.153 0.000 1.110 141 R CA 1.041 57.057 56.100 -0.141 0.000 0.988 141 R CB 0.089 30.275 30.300 -0.190 0.000 0.871 141 R HN -0.039 nan 8.270 nan 0.000 0.458 142 Q N 0.331 120.035 119.800 -0.161 0.000 2.228 142 Q HA 0.060 4.400 4.340 -0.000 0.000 0.211 142 Q C -0.631 175.438 176.000 0.114 0.000 0.890 142 Q CA 0.353 56.131 55.803 -0.042 0.000 0.953 142 Q CB 0.415 29.125 28.738 -0.046 0.000 1.053 142 Q HN 0.252 nan 8.270 nan 0.000 0.471 143 D N -1.714 118.720 120.400 0.057 0.000 3.090 143 D HA -0.213 4.427 4.640 -0.000 0.000 0.215 143 D C -0.980 175.315 176.300 -0.009 0.000 1.140 143 D CA 0.377 54.378 54.000 0.002 0.000 0.937 143 D CB -1.062 39.705 40.800 -0.055 0.000 1.108 143 D HN 0.225 nan 8.370 nan 0.000 0.420 144 F N 0.480 120.421 119.950 -0.016 0.000 2.410 144 F HA 0.322 4.849 4.527 -0.000 0.000 0.334 144 F C 1.483 177.279 175.800 -0.007 0.000 1.134 144 F CA 0.420 58.445 58.000 0.042 0.000 1.227 144 F CB 1.066 40.159 39.000 0.154 0.000 1.194 144 F HN -0.327 nan 8.300 nan 0.000 0.571 145 T N 2.111 116.673 114.554 0.015 0.000 2.779 145 T HA 0.180 4.530 4.350 -0.000 0.000 0.280 145 T C -0.565 173.842 174.700 -0.489 0.000 0.987 145 T CA -0.764 61.160 62.100 -0.293 0.000 0.966 145 T CB 1.110 69.548 68.868 -0.717 0.000 0.933 145 T HN 0.510 nan 8.240 nan 0.000 0.442 146 E N 3.773 123.545 120.200 -0.714 0.000 2.316 146 E HA 0.384 4.733 4.350 -0.000 0.000 0.275 146 E C -0.302 175.803 176.600 -0.825 0.000 1.029 146 E CA -0.483 55.220 56.400 -1.160 0.000 0.871 146 E CB 0.429 29.599 29.700 -0.883 0.000 1.022 146 E HN 0.631 nan 8.360 nan 0.000 0.418 147 I N 0.458 120.536 120.570 -0.820 0.000 2.846 147 I HA 0.540 4.710 4.170 -0.000 0.000 0.307 147 I C -1.155 174.455 176.117 -0.845 0.000 1.053 147 I CA -1.191 59.750 61.300 -0.598 0.000 1.050 147 I CB 1.512 39.393 38.000 -0.199 0.000 1.239 147 I HN 0.327 nan 8.210 nan 0.000 0.439 148 F N 1.990 121.920 119.950 -0.034 0.000 2.500 148 F HA 0.491 5.018 4.527 -0.000 0.000 0.349 148 F C 0.449 176.214 175.800 -0.059 0.000 1.127 148 F CA -0.570 57.409 58.000 -0.035 0.000 0.998 148 F CB 1.908 40.892 39.000 -0.026 0.000 1.237 148 F HN 0.646 nan 8.300 nan 0.000 0.439 149 T N -0.010 114.569 114.554 0.041 0.000 2.949 149 T HA 0.750 5.099 4.350 -0.000 0.000 0.287 149 T C -2.032 172.606 174.700 -0.103 0.000 1.034 149 T CA -1.937 60.101 62.100 -0.102 0.000 1.018 149 T CB 1.226 70.014 68.868 -0.133 0.000 1.135 149 T HN 0.166 nan 8.240 nan 0.000 0.532 181 L N 1.238 122.482 121.223 0.036 0.000 1.990 181 L HA -0.062 4.278 4.340 -0.000 0.000 0.213 181 L C 1.851 178.685 176.870 -0.060 0.000 1.072 181 L CA 2.379 57.258 54.840 0.065 0.000 0.755 181 L CB -1.050 41.083 42.059 0.123 0.000 0.889 181 L HN 0.505 nan 8.230 nan 0.000 0.432 182 Y N 0.536 120.870 120.300 0.056 0.000 2.114 182 Y HA -0.282 4.268 4.550 -0.000 0.000 0.282 182 Y C 2.561 178.439 175.900 -0.036 0.000 1.165 182 Y CA 2.060 60.166 58.100 0.009 0.000 1.148 182 Y CB -0.783 37.696 38.460 0.030 0.000 0.972 182 Y HN 0.256 nan 8.280 nan 0.000 0.504 183 K N -0.044 120.428 120.400 0.120 0.000 2.063 183 K HA -0.248 4.072 4.320 -0.000 0.000 0.208 183 K C 2.072 178.635 176.600 -0.062 0.000 1.048 183 K CA 1.847 58.153 56.287 0.031 0.000 0.928 183 K CB -0.294 32.221 32.500 0.026 0.000 0.713 183 K HN 0.485 nan 8.250 nan 0.000 0.442 184 Q N 0.589 120.321 119.800 -0.114 0.000 2.020 184 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 184 Q C 2.245 178.057 176.000 -0.312 0.000 0.982 184 Q CA 1.398 57.032 55.803 -0.281 0.000 0.838 184 Q CB -0.245 28.360 28.738 -0.221 0.000 0.899 184 Q HN 0.335 nan 8.270 nan 0.000 0.423 185 I N 0.573 121.006 120.570 -0.228 0.000 2.194 185 I HA -0.298 3.872 4.170 -0.000 0.000 0.246 185 I C 2.194 178.202 176.117 -0.182 0.000 1.093 185 I CA 0.982 62.152 61.300 -0.216 0.000 1.355 185 I CB -0.312 37.621 38.000 -0.110 0.000 1.046 185 I HN 0.309 nan 8.210 nan 0.000 0.413 186 M N -0.167 119.363 119.600 -0.117 0.000 2.549 186 M HA -0.068 4.412 4.480 -0.000 0.000 0.260 186 M C 2.270 178.497 176.300 -0.121 0.000 1.076 186 M CA 0.960 56.194 55.300 -0.111 0.000 1.090 186 M CB -0.876 31.715 32.600 -0.015 0.000 1.418 186 M HN 0.131 nan 8.290 nan 0.000 0.486 187 V N 0.035 119.852 119.914 -0.161 0.000 2.358 187 V HA -0.137 3.983 4.120 -0.000 0.000 0.246 187 V C 2.393 178.392 176.094 -0.159 0.000 1.047 187 V CA 1.990 64.194 62.300 -0.160 0.000 1.035 187 V CB -1.237 30.424 31.823 -0.270 0.000 0.658 187 V HN 0.531 nan 8.190 nan 0.000 0.452 188 G N -1.001 107.674 108.800 -0.207 0.000 2.776 188 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.209 188 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.209 188 G C 1.236 176.037 174.900 -0.164 0.000 1.145 188 G CA 1.027 46.023 45.100 -0.173 0.000 0.791 188 G HN 0.431 nan 8.290 nan 0.000 0.530 189 V N -1.489 118.288 119.914 -0.229 0.000 3.151 189 V HA 0.337 4.457 4.120 -0.000 0.000 0.241 189 V C 1.548 177.394 176.094 -0.412 0.000 1.173 189 V CA 0.665 62.723 62.300 -0.404 0.000 1.154 189 V CB -0.175 31.266 31.823 -0.638 0.000 0.898 189 V HN 0.363 nan 8.190 nan 0.000 0.473 190 F N -0.862 119.051 119.950 -0.061 0.000 2.798 190 F HA 0.285 4.812 4.527 -0.000 0.000 0.328 190 F C 1.486 177.237 175.800 -0.082 0.000 1.098 190 F CA 0.212 58.171 58.000 -0.068 0.000 1.172 190 F CB 0.766 39.716 39.000 -0.083 0.000 1.072 190 F HN 0.042 nan 8.300 nan 0.000 0.555 191 E N 0.258 120.510 120.200 0.087 0.000 4.908 191 E HA -0.302 4.048 4.350 -0.000 0.000 0.164 191 E C 0.122 176.679 176.600 -0.072 0.000 1.196 191 E CA 1.637 58.066 56.400 0.048 0.000 2.347 191 E CB -0.801 28.971 29.700 0.120 0.000 1.786 191 E HN 0.373 nan 8.360 nan 0.000 0.456 192 R N 0.651 121.044 120.500 -0.178 0.000 2.473 192 R HA 0.507 4.847 4.340 -0.000 0.000 0.303 192 R C -0.713 175.473 176.300 -0.189 0.000 1.002 192 R CA -0.358 55.433 56.100 -0.514 0.000 0.884 192 R CB 2.289 31.746 30.300 -1.405 0.000 1.173 192 R HN 0.064 nan 8.270 nan 0.000 0.464 193 V N -0.157 119.833 119.914 0.127 0.000 3.040 193 V HA 0.804 4.924 4.120 -0.000 0.000 0.312 193 V C -1.005 175.301 176.094 0.354 0.000 1.115 193 V CA -1.109 61.310 62.300 0.198 0.000 0.998 193 V CB 1.612 33.485 31.823 0.084 0.000 1.042 193 V HN 0.759 nan 8.190 nan 0.000 0.433 194 Y N -0.485 119.900 120.300 0.142 0.000 2.615 194 Y HA 0.911 5.461 4.550 -0.000 0.000 0.341 194 Y C -0.774 175.144 175.900 0.029 0.000 1.089 194 Y CA -0.943 57.212 58.100 0.091 0.000 1.049 194 Y CB 2.060 40.547 38.460 0.046 0.000 1.296 194 Y HN 0.919 nan 8.280 nan 0.000 0.470 195 E N 1.005 121.356 120.200 0.252 0.000 2.335 195 E HA 0.560 4.910 4.350 -0.000 0.000 0.280 195 E C -2.182 174.507 176.600 0.149 0.000 0.918 195 E CA -0.951 55.492 56.400 0.070 0.000 0.765 195 E CB 2.673 32.350 29.700 -0.039 0.000 1.218 195 E HN 0.671 nan 8.360 nan 0.000 0.425 196 V N 2.912 122.897 119.914 0.118 0.000 2.259 196 V HA 0.700 4.820 4.120 -0.000 0.000 0.267 196 V C -0.306 175.799 176.094 0.018 0.000 1.051 196 V CA -0.185 62.138 62.300 0.037 0.000 0.830 196 V CB 0.392 32.260 31.823 0.074 0.000 1.080 196 V HN 0.652 nan 8.190 nan 0.000 0.467 197 A N 6.712 129.510 122.820 -0.036 0.000 2.475 197 A HA 0.982 5.302 4.320 -0.000 0.000 0.301 197 A C -3.098 174.387 177.584 -0.164 0.000 1.059 197 A CA -1.878 50.129 52.037 -0.051 0.000 0.710 197 A CB 2.109 21.104 19.000 -0.010 0.000 1.288 197 A HN 0.521 nan 8.150 nan 0.000 0.408 198 P HA 0.455 nan 4.420 nan 0.000 0.271 198 P C -0.532 176.415 177.300 -0.588 0.000 1.218 198 P CA -0.032 62.813 63.100 -0.425 0.000 0.780 198 P CB 0.988 32.455 31.700 -0.389 0.000 0.901 199 V N 1.154 120.509 119.914 -0.932 0.000 3.105 199 V HA 0.508 4.628 4.120 -0.000 0.000 0.311 199 V C -0.282 175.191 176.094 -1.035 0.000 1.287 199 V CA -0.330 61.458 62.300 -0.854 0.000 1.066 199 V CB 1.779 33.195 31.823 -0.677 0.000 1.105 199 V HN 0.667 nan 8.190 nan 0.000 0.462 200 W N -0.866 120.402 121.300 -0.054 0.000 4.714 200 W HA 0.568 5.228 4.660 -0.000 0.000 0.177 200 W C 0.519 177.133 176.519 0.159 0.000 2.961 200 W CA -0.033 57.353 57.345 0.068 0.000 1.926 200 W CB -0.313 29.175 29.460 0.048 0.000 1.627 200 W HN 0.509 nan 8.180 nan 0.000 0.726 212 N N 0.583 119.366 118.700 0.138 0.000 2.251 212 N HA -0.028 4.711 4.740 -0.000 0.000 0.181 212 N C 0.323 175.966 175.510 0.222 0.000 1.019 212 N CA 0.900 54.066 53.050 0.193 0.000 0.862 212 N CB 0.358 38.955 38.487 0.183 0.000 0.992 212 N HN 0.337 nan 8.380 nan 0.000 0.429 213 E N 0.023 120.288 120.200 0.109 0.000 2.220 213 E HA 0.184 4.534 4.350 -0.000 0.000 0.256 213 E C -1.436 175.113 176.600 -0.084 0.000 0.881 213 E CA -0.537 55.767 56.400 -0.161 0.000 0.766 213 E CB 0.772 30.292 29.700 -0.299 0.000 1.187 213 E HN 0.168 nan 8.360 nan 0.000 0.419 214 Y N 2.140 122.298 120.300 -0.237 0.000 2.602 214 Y HA 0.619 5.169 4.550 -0.000 0.000 0.342 214 Y C -1.381 174.414 175.900 -0.175 0.000 1.029 214 Y CA -1.572 56.436 58.100 -0.152 0.000 1.080 214 Y CB 0.849 39.257 38.460 -0.086 0.000 1.284 214 Y HN 0.358 nan 8.280 nan 0.000 0.485 215 L N 2.572 123.767 121.223 -0.046 0.000 2.290 215 L HA 0.529 4.869 4.340 -0.000 0.000 0.284 215 L C -0.241 176.599 176.870 -0.050 0.000 1.078 215 L CA 0.302 55.067 54.840 -0.125 0.000 0.815 215 L CB 1.079 43.104 42.059 -0.056 0.000 1.162 215 L HN 0.746 nan 8.230 nan 0.000 0.435 216 S N 5.508 121.108 115.700 -0.167 0.000 2.478 216 S HA 0.637 5.107 4.470 -0.000 0.000 0.312 216 S C -0.781 173.749 174.600 -0.117 0.000 1.094 216 S CA -0.731 57.433 58.200 -0.061 0.000 1.081 216 S CB 0.522 63.670 63.200 -0.087 0.000 1.007 216 S HN 0.569 nan 8.310 nan 0.000 0.475 217 L N 4.472 125.592 121.223 -0.172 0.000 2.272 217 L HA 0.503 4.843 4.340 -0.000 0.000 0.284 217 L C -0.935 175.874 176.870 -0.101 0.000 1.045 217 L CA -0.735 53.864 54.840 -0.402 0.000 0.842 217 L CB 0.735 42.175 42.059 -1.032 0.000 1.224 217 L HN 0.505 nan 8.230 nan 0.000 0.430 218 D N 2.631 123.054 120.400 0.038 0.000 2.217 218 D HA 0.506 5.146 4.640 -0.000 0.000 0.243 218 D C -0.469 175.887 176.300 0.094 0.000 1.054 218 D CA -0.150 53.883 54.000 0.055 0.000 0.838 218 D CB 2.615 43.441 40.800 0.045 0.000 1.162 218 D HN 0.037 nan 8.370 nan 0.000 0.472 219 V N 1.858 121.669 119.914 -0.172 0.000 2.555 219 V HA 0.591 4.711 4.120 -0.000 0.000 0.302 219 V C -0.340 175.671 176.094 -0.138 0.000 1.038 219 V CA -0.702 61.471 62.300 -0.212 0.000 0.887 219 V CB 1.908 33.338 31.823 -0.655 0.000 0.991 219 V HN 0.454 nan 8.190 nan 0.000 0.434 220 E N 4.293 124.553 120.200 0.100 0.000 2.274 220 E HA 0.701 5.051 4.350 -0.000 0.000 0.269 220 E C -0.982 175.729 176.600 0.185 0.000 0.891 220 E CA -0.480 55.987 56.400 0.111 0.000 0.784 220 E CB 1.683 31.410 29.700 0.045 0.000 1.225 220 E HN 0.741 nan 8.360 nan 0.000 0.412 221 M N 1.988 121.697 119.600 0.182 0.000 2.457 221 M HA 0.879 5.359 4.480 -0.000 0.000 0.300 221 M C -0.192 176.167 176.300 0.099 0.000 1.141 221 M CA -0.882 54.485 55.300 0.110 0.000 0.901 221 M CB 2.170 34.878 32.600 0.181 0.000 1.687 221 M HN 0.438 nan 8.290 nan 0.000 0.449 222 G N 0.726 109.548 108.800 0.036 0.000 2.601 222 G HA2 0.744 4.704 3.960 -0.000 0.000 0.317 222 G HA3 0.744 4.704 3.960 -0.000 0.000 0.317 222 G C -0.767 174.175 174.900 0.070 0.000 1.246 222 G CA -0.984 44.110 45.100 -0.010 0.000 1.012 222 G HN 0.880 nan 8.290 nan 0.000 0.494 223 F N -1.582 118.370 119.950 0.004 0.000 2.983 223 F HA -0.175 4.352 4.527 -0.000 0.000 0.288 223 F C 0.865 176.657 175.800 -0.013 0.000 0.980 223 F CA 0.630 58.617 58.000 -0.022 0.000 0.965 223 F CB -1.952 37.032 39.000 -0.028 0.000 0.967 223 F HN 0.579 nan 8.300 nan 0.000 0.800 224 I N -2.668 117.957 120.570 0.093 0.000 2.947 224 I HA 0.862 5.032 4.170 -0.000 0.000 0.314 224 I C 0.970 177.103 176.117 0.025 0.000 1.028 224 I CA -0.430 60.911 61.300 0.068 0.000 1.077 224 I CB 1.753 39.792 38.000 0.065 0.000 1.274 224 I HN -0.028 nan 8.210 nan 0.000 0.485 225 A N 1.822 124.650 122.820 0.013 0.000 1.862 225 A HA 0.165 4.485 4.320 -0.000 0.000 0.211 225 A C 0.369 177.921 177.584 -0.053 0.000 1.220 225 A CA 1.662 53.692 52.037 -0.013 0.000 0.616 225 A CB -0.616 18.379 19.000 -0.008 0.000 0.878 225 A HN 0.989 nan 8.150 nan 0.000 0.453 226 D N -3.564 116.805 120.400 -0.052 0.000 2.851 226 D HA 0.139 4.779 4.640 -0.000 0.000 0.339 226 D C 0.523 176.797 176.300 -0.043 0.000 1.347 226 D CA 0.101 54.049 54.000 -0.085 0.000 0.888 226 D CB -0.207 40.535 40.800 -0.097 0.000 1.431 226 D HN 0.049 nan 8.370 nan 0.000 0.509 227 E N 0.281 120.459 120.200 -0.036 0.000 2.267 227 E HA -0.265 4.085 4.350 -0.000 0.000 0.197 227 E C 1.198 177.733 176.600 -0.109 0.000 0.998 227 E CA 1.452 57.860 56.400 0.013 0.000 0.830 227 E CB -0.133 29.618 29.700 0.085 0.000 0.751 227 E HN 0.509 nan 8.360 nan 0.000 0.491 228 E N 1.754 121.876 120.200 -0.130 0.000 2.085 228 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 228 E C 1.328 177.834 176.600 -0.157 0.000 0.994 228 E CA 1.905 58.193 56.400 -0.187 0.000 0.801 228 E CB -0.254 29.367 29.700 -0.131 0.000 0.743 228 E HN 0.241 nan 8.360 nan 0.000 0.453 229 D N -0.224 120.136 120.400 -0.067 0.000 2.182 229 D HA -0.157 4.482 4.640 -0.000 0.000 0.201 229 D C 1.894 178.206 176.300 0.020 0.000 0.986 229 D CA 1.024 55.020 54.000 -0.007 0.000 0.847 229 D CB -0.153 40.672 40.800 0.042 0.000 0.942 229 D HN 0.282 nan 8.370 nan 0.000 0.467 230 L N -0.413 120.822 121.223 0.021 0.000 2.044 230 L HA -0.041 4.299 4.340 -0.000 0.000 0.205 230 L C 2.458 179.220 176.870 -0.180 0.000 1.075 230 L CA 0.752 55.661 54.840 0.115 0.000 0.747 230 L CB -0.351 41.899 42.059 0.319 0.000 0.903 230 L HN 0.023 nan 8.230 nan 0.000 0.435 231 M N -0.727 118.546 119.600 -0.545 0.000 2.213 231 M HA -0.185 4.295 4.480 -0.000 0.000 0.263 231 M C 2.367 178.396 176.300 -0.451 0.000 1.062 231 M CA 1.629 56.401 55.300 -0.879 0.000 1.105 231 M CB -0.336 31.478 32.600 -1.309 0.000 1.385 231 M HN 0.161 nan 8.290 nan 0.000 0.417 232 R N -0.142 120.194 120.500 -0.273 0.000 2.119 232 R HA -0.069 4.271 4.340 -0.000 0.000 0.222 232 R C 2.101 178.354 176.300 -0.079 0.000 1.088 232 R CA 0.806 56.818 56.100 -0.146 0.000 0.984 232 R CB -0.261 29.983 30.300 -0.092 0.000 0.884 232 R HN 0.247 nan 8.270 nan 0.000 0.447 233 L N 1.314 122.521 121.223 -0.027 0.000 2.072 233 L HA -0.101 4.239 4.340 -0.000 0.000 0.205 233 L C 2.112 178.957 176.870 -0.043 0.000 1.079 233 L CA 1.816 56.691 54.840 0.059 0.000 0.752 233 L CB -0.343 41.848 42.059 0.220 0.000 0.906 233 L HN 0.086 nan 8.230 nan 0.000 0.436 234 E N -0.545 119.579 120.200 -0.126 0.000 2.110 234 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 234 E C 1.919 178.364 176.600 -0.258 0.000 0.988 234 E CA 1.357 57.617 56.400 -0.232 0.000 0.804 234 E CB -0.060 29.351 29.700 -0.482 0.000 0.745 234 E HN 0.645 nan 8.360 nan 0.000 0.458 235 E N 0.153 120.218 120.200 -0.226 0.000 2.031 235 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 235 E C 2.108 178.488 176.600 -0.366 0.000 0.994 235 E CA 1.031 57.248 56.400 -0.306 0.000 0.800 235 E CB -0.198 29.386 29.700 -0.193 0.000 0.752 235 E HN 0.376 nan 8.360 nan 0.000 0.447 236 A N 1.053 123.700 122.820 -0.289 0.000 1.972 236 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 236 A C 2.111 179.264 177.584 -0.717 0.000 1.169 236 A CA 0.878 52.712 52.037 -0.339 0.000 0.635 236 A CB -0.382 18.536 19.000 -0.136 0.000 0.810 236 A HN 0.179 nan 8.150 nan 0.000 0.446 237 L N -0.238 120.536 121.223 -0.748 0.000 2.007 237 L HA -0.039 4.301 4.340 -0.000 0.000 0.205 237 L C 2.315 178.902 176.870 -0.471 0.000 1.073 237 L CA 1.679 56.048 54.840 -0.785 0.000 0.744 237 L CB -0.656 41.157 42.059 -0.410 0.000 0.898 237 L HN 0.387 nan 8.230 nan 0.000 0.435 238 L N -0.367 120.615 121.223 -0.401 0.000 2.089 238 L HA -0.296 4.044 4.340 -0.000 0.000 0.213 238 L C 2.651 179.255 176.870 -0.442 0.000 1.079 238 L CA 1.368 55.960 54.840 -0.414 0.000 0.758 238 L CB -1.026 40.658 42.059 -0.624 0.000 0.891 238 L HN 0.456 nan 8.230 nan 0.000 0.433 239 A N 0.145 122.651 122.820 -0.523 0.000 1.865 239 A HA -0.291 4.029 4.320 -0.000 0.000 0.217 239 A C 2.206 179.676 177.584 -0.190 0.000 1.191 239 A CA 2.033 53.789 52.037 -0.469 0.000 0.623 239 A CB -0.598 18.145 19.000 -0.428 0.000 0.826 239 A HN 0.441 nan 8.150 nan 0.000 0.444 240 E N -0.270 119.817 120.200 -0.188 0.000 2.118 240 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 240 E C 1.958 178.546 176.600 -0.021 0.000 0.992 240 E CA 1.844 58.209 56.400 -0.058 0.000 0.804 240 E CB -0.354 29.316 29.700 -0.050 0.000 0.741 240 E HN 0.649 nan 8.360 nan 0.000 0.458 241 M N -0.330 119.229 119.600 -0.069 0.000 2.067 241 M HA -0.122 4.358 4.480 -0.000 0.000 0.260 241 M C 2.273 178.606 176.300 0.055 0.000 1.069 241 M CA 1.376 56.678 55.300 0.002 0.000 1.117 241 M CB -0.313 32.280 32.600 -0.010 0.000 1.334 241 M HN 0.165 nan 8.290 nan 0.000 0.407 242 L N -0.366 120.881 121.223 0.038 0.000 2.131 242 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 242 L C 2.567 179.625 176.870 0.314 0.000 1.092 242 L CA 0.933 55.901 54.840 0.214 0.000 0.759 242 L CB -0.757 41.398 42.059 0.159 0.000 0.903 242 L HN 0.317 nan 8.230 nan 0.000 0.435 243 E N 0.137 120.445 120.200 0.180 0.000 2.058 243 E HA -0.273 4.077 4.350 -0.000 0.000 0.194 243 E C 2.063 178.730 176.600 0.112 0.000 0.997 243 E CA 1.447 57.934 56.400 0.144 0.000 0.801 243 E CB 0.009 29.776 29.700 0.112 0.000 0.746 243 E HN 0.392 nan 8.360 nan 0.000 0.450 244 E N 0.825 121.087 120.200 0.103 0.000 2.077 244 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 244 E C 1.865 178.526 176.600 0.101 0.000 0.989 244 E CA 1.388 57.841 56.400 0.088 0.000 0.800 244 E CB -0.290 29.459 29.700 0.082 0.000 0.746 244 E HN 0.211 nan 8.360 nan 0.000 0.452 245 A N 0.365 123.274 122.820 0.148 0.000 1.883 245 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 245 A C 2.101 179.763 177.584 0.129 0.000 1.186 245 A CA 1.568 53.713 52.037 0.181 0.000 0.624 245 A CB -0.777 18.407 19.000 0.306 0.000 0.822 245 A HN 0.349 nan 8.150 nan 0.000 0.444 246 L N 0.363 121.642 121.223 0.092 0.000 2.083 246 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 246 L C 2.066 178.912 176.870 -0.040 0.000 1.083 246 L CA 1.709 56.503 54.840 -0.077 0.000 0.752 246 L CB -1.211 40.755 42.059 -0.154 0.000 0.899 246 L HN 0.396 nan 8.230 nan 0.000 0.433 247 N N -1.113 117.592 118.700 0.008 0.000 2.109 247 N HA -0.092 4.648 4.740 -0.000 0.000 0.188 247 N C 1.731 177.252 175.510 0.017 0.000 1.034 247 N CA 1.981 55.037 53.050 0.010 0.000 0.846 247 N CB -0.352 38.151 38.487 0.026 0.000 1.010 247 N HN 0.477 nan 8.380 nan 0.000 0.425 248 T N -3.125 111.450 114.554 0.035 0.000 3.022 248 T HA 0.442 4.792 4.350 -0.000 0.000 0.250 248 T C 0.956 175.681 174.700 0.042 0.000 1.060 248 T CA 0.205 62.328 62.100 0.039 0.000 1.013 248 T CB 0.321 69.217 68.868 0.047 0.000 0.982 248 T HN 0.120 nan 8.240 nan 0.000 0.508 249 A N 0.510 123.359 122.820 0.048 0.000 2.705 249 A HA 0.774 5.093 4.320 -0.000 0.000 0.294 249 A C 1.746 179.354 177.584 0.040 0.000 1.039 249 A CA 0.032 52.102 52.037 0.054 0.000 1.005 249 A CB -0.443 18.605 19.000 0.080 0.000 1.192 249 A HN 0.428 nan 8.150 nan 0.000 0.513 250 G N 0.359 109.165 108.800 0.009 0.000 2.421 250 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.216 250 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.216 250 G C 0.969 175.863 174.900 -0.010 0.000 1.171 250 G CA 1.309 46.394 45.100 -0.025 0.000 0.775 250 G HN 0.437 nan 8.290 nan 0.000 0.543 251 D N 0.829 121.232 120.400 0.004 0.000 2.149 251 D HA -0.066 4.574 4.640 -0.000 0.000 0.198 251 D C 2.492 178.804 176.300 0.021 0.000 0.990 251 D CA 1.143 55.149 54.000 0.009 0.000 0.839 251 D CB -0.132 40.675 40.800 0.013 0.000 0.948 251 D HN 0.300 nan 8.370 nan 0.000 0.460 252 E N 0.560 120.780 120.200 0.034 0.000 2.047 252 E HA -0.052 4.298 4.350 -0.000 0.000 0.191 252 E C 2.335 178.972 176.600 0.062 0.000 0.987 252 E CA 0.296 56.724 56.400 0.047 0.000 0.799 252 E CB -0.297 29.436 29.700 0.055 0.000 0.752 252 E HN 0.326 nan 8.360 nan 0.000 0.449 253 I N 0.579 121.194 120.570 0.075 0.000 2.208 253 I HA -0.319 3.850 4.170 -0.000 0.000 0.245 253 I C 2.317 178.479 176.117 0.075 0.000 1.097 253 I CA 1.288 62.655 61.300 0.111 0.000 1.363 253 I CB -0.216 37.860 38.000 0.126 0.000 1.051 253 I HN 0.035 nan 8.210 nan 0.000 0.413 254 R N -0.003 120.515 120.500 0.031 0.000 2.090 254 R HA -0.135 4.205 4.340 -0.000 0.000 0.228 254 R C 2.251 178.568 176.300 0.028 0.000 1.110 254 R CA 0.971 57.082 56.100 0.019 0.000 0.973 254 R CB -0.354 29.944 30.300 -0.002 0.000 0.869 254 R HN 0.207 nan 8.270 nan 0.000 0.440 255 L N 0.985 122.226 121.223 0.031 0.000 2.046 255 L HA -0.125 4.214 4.340 -0.000 0.000 0.208 255 L C 1.694 178.587 176.870 0.037 0.000 1.077 255 L CA 1.742 56.601 54.840 0.030 0.000 0.747 255 L CB -0.262 41.815 42.059 0.031 0.000 0.896 255 L HN 0.151 nan 8.230 nan 0.000 0.432 256 L N -0.423 120.829 121.223 0.048 0.000 2.478 256 L HA 0.167 4.507 4.340 -0.000 0.000 0.223 256 L C 1.358 178.253 176.870 0.042 0.000 1.140 256 L CA 0.505 55.373 54.840 0.048 0.000 0.842 256 L CB -0.853 41.240 42.059 0.057 0.000 0.953 256 L HN 0.532 nan 8.230 nan 0.000 0.452 257 G N 1.028 109.855 108.800 0.046 0.000 2.323 257 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.292 257 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.292 257 G C 0.386 175.318 174.900 0.054 0.000 1.040 257 G CA 0.205 45.330 45.100 0.042 0.000 0.942 257 G HN 0.511 nan 8.290 nan 0.000 0.506 258 A N -0.282 122.591 122.820 0.089 0.000 2.327 258 A HA 0.852 5.172 4.320 -0.000 0.000 0.255 258 A C 0.972 178.640 177.584 0.139 0.000 1.099 258 A CA 0.782 52.883 52.037 0.107 0.000 0.801 258 A CB 0.449 19.545 19.000 0.160 0.000 1.062 258 A HN 1.770 nan 8.150 nan 0.000 0.496 259 T N -1.503 113.125 114.554 0.124 0.000 2.770 259 T HA 0.400 4.749 4.350 -0.000 0.000 0.283 259 T C -0.338 174.500 174.700 0.230 0.000 0.988 259 T CA -0.347 61.846 62.100 0.154 0.000 0.957 259 T CB 0.685 69.596 68.868 0.072 0.000 0.930 259 T HN 0.595 nan 8.240 nan 0.000 0.443 260 W N 4.263 125.601 121.300 0.062 0.000 2.216 260 W HA 0.263 4.923 4.660 -0.000 0.000 0.326 260 W C -2.175 174.423 176.519 0.131 0.000 1.319 260 W CA -1.658 55.748 57.345 0.102 0.000 1.213 260 W CB 0.778 30.297 29.460 0.099 0.000 1.171 260 W HN 0.540 nan 8.180 nan 0.000 0.557 261 P HA 0.030 nan 4.420 nan 0.000 0.274 261 P C -0.505 176.940 177.300 0.240 0.000 1.256 261 P CA -0.221 62.924 63.100 0.075 0.000 0.795 261 P CB 0.559 32.315 31.700 0.094 0.000 1.038 262 S N 0.224 116.112 115.700 0.312 0.000 2.580 262 S HA 0.120 4.590 4.470 -0.000 0.000 0.266 262 S C 0.001 174.835 174.600 0.390 0.000 1.354 262 S CA -0.548 57.861 58.200 0.350 0.000 1.008 262 S CB -0.245 63.145 63.200 0.317 0.000 0.898 262 S HN 0.330 nan 8.310 nan 0.000 0.555 263 F N 2.225 122.261 119.950 0.143 0.000 2.538 263 F HA 0.350 4.877 4.527 -0.000 0.000 0.371 263 F C -2.143 173.532 175.800 -0.209 0.000 1.087 263 F CA -2.036 55.966 58.000 0.002 0.000 1.250 263 F CB 0.370 39.375 39.000 0.008 0.000 1.110 263 F HN 0.378 nan 8.300 nan 0.000 0.570 264 P HA 0.072 nan 4.420 nan 0.000 0.249 264 P C -1.485 175.439 177.300 -0.627 0.000 1.737 264 P CA 0.245 62.636 63.100 -1.181 0.000 1.128 264 P CB 0.067 30.842 31.700 -1.541 0.000 1.942 265 Q N 1.431 121.119 119.800 -0.185 0.000 2.309 265 Q HA 0.228 4.568 4.340 -0.000 0.000 0.273 265 Q C -0.873 175.129 176.000 0.003 0.000 1.040 265 Q CA -0.596 55.222 55.803 0.025 0.000 0.834 265 Q CB 1.307 30.243 28.738 0.330 0.000 1.345 265 Q HN 0.113 nan 8.270 nan 0.000 0.414 266 D N 2.463 122.855 120.400 -0.014 0.000 2.689 266 D HA -0.203 4.437 4.640 -0.000 0.000 0.237 266 D C -0.351 175.922 176.300 -0.045 0.000 1.148 266 D CA 1.017 55.004 54.000 -0.023 0.000 0.656 266 D CB -1.186 39.609 40.800 -0.008 0.000 1.050 266 D HN 0.551 nan 8.370 nan 0.000 0.426 267 I N 0.361 120.913 120.570 -0.030 0.000 2.752 267 I HA -0.013 4.157 4.170 -0.000 0.000 0.289 267 I C -1.474 174.600 176.117 -0.070 0.000 1.197 267 I CA -1.128 60.146 61.300 -0.043 0.000 1.432 267 I CB -0.028 37.936 38.000 -0.060 0.000 1.359 267 I HN -0.232 nan 8.210 nan 0.000 0.571 268 P HA 0.091 nan 4.420 nan 0.000 0.264 268 P C -0.784 176.362 177.300 -0.257 0.000 1.183 268 P CA 0.248 63.000 63.100 -0.579 0.000 0.763 268 P CB 0.442 31.375 31.700 -1.277 0.000 0.807 269 R N 2.101 122.487 120.500 -0.191 0.000 2.664 269 R HA 0.750 5.090 4.340 -0.000 0.000 0.286 269 R C -1.029 175.268 176.300 -0.005 0.000 0.967 269 R CA -0.905 55.184 56.100 -0.018 0.000 0.933 269 R CB 1.138 31.424 30.300 -0.023 0.000 1.146 269 R HN 0.293 nan 8.270 nan 0.000 0.468 270 L N 1.444 122.704 121.223 0.062 0.000 2.580 270 L HA 0.208 4.548 4.340 -0.000 0.000 0.266 270 L C -0.356 176.544 176.870 0.051 0.000 0.955 270 L CA -0.228 54.657 54.840 0.076 0.000 0.886 270 L CB 2.078 44.203 42.059 0.110 0.000 1.263 270 L HN 0.817 nan 8.230 nan 0.000 0.406 271 T N -1.273 113.301 114.554 0.034 0.000 2.903 271 T HA 0.058 4.408 4.350 -0.000 0.000 0.314 271 T C 1.345 176.025 174.700 -0.033 0.000 1.078 271 T CA 0.211 62.319 62.100 0.014 0.000 1.114 271 T CB 0.536 69.418 68.868 0.023 0.000 0.987 271 T HN 0.672 nan 8.240 nan 0.000 0.548 272 H N 2.015 120.969 119.070 -0.192 0.000 2.319 272 H HA -0.155 4.401 4.556 -0.000 0.000 0.299 272 H C 2.232 177.476 175.328 -0.141 0.000 1.092 272 H CA 2.194 58.074 56.048 -0.281 0.000 1.302 272 H CB -0.599 28.881 29.762 -0.470 0.000 1.373 272 H HN 0.837 nan 8.280 nan 0.000 0.497 273 A N 0.857 123.670 122.820 -0.011 0.000 1.902 273 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 273 A C 2.440 179.976 177.584 -0.081 0.000 1.181 273 A CA 1.740 53.760 52.037 -0.029 0.000 0.623 273 A CB -0.670 18.348 19.000 0.030 0.000 0.818 273 A HN 0.636 nan 8.150 nan 0.000 0.443 274 E N -0.463 119.704 120.200 -0.055 0.000 2.051 274 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 274 E C 2.204 178.751 176.600 -0.088 0.000 0.991 274 E CA 1.048 57.424 56.400 -0.041 0.000 0.799 274 E CB -0.229 29.475 29.700 0.007 0.000 0.748 274 E HN 0.575 nan 8.360 nan 0.000 0.449 275 A N 1.004 123.748 122.820 -0.127 0.000 1.930 275 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 275 A C 2.018 179.481 177.584 -0.202 0.000 1.175 275 A CA 1.436 53.373 52.037 -0.167 0.000 0.627 275 A CB -0.353 18.555 19.000 -0.153 0.000 0.815 275 A HN 0.107 nan 8.150 nan 0.000 0.443 276 K N -0.462 119.784 120.400 -0.257 0.000 2.044 276 K HA -0.211 4.109 4.320 -0.000 0.000 0.210 276 K C 2.389 178.917 176.600 -0.121 0.000 1.049 276 K CA 1.748 57.905 56.287 -0.215 0.000 0.927 276 K CB -0.196 32.156 32.500 -0.246 0.000 0.713 276 K HN 0.470 nan 8.250 nan 0.000 0.443 277 R N 0.774 121.210 120.500 -0.106 0.000 2.073 277 R HA -0.115 4.225 4.340 -0.000 0.000 0.234 277 R C 2.250 178.495 176.300 -0.091 0.000 1.134 277 R CA 1.637 57.693 56.100 -0.074 0.000 0.952 277 R CB -0.271 29.996 30.300 -0.054 0.000 0.850 277 R HN 0.222 nan 8.270 nan 0.000 0.433 278 I N 0.951 121.435 120.570 -0.144 0.000 2.226 278 I HA -0.313 3.857 4.170 -0.000 0.000 0.245 278 I C 2.255 178.264 176.117 -0.181 0.000 1.100 278 I CA 1.215 62.383 61.300 -0.221 0.000 1.374 278 I CB -0.308 37.425 38.000 -0.445 0.000 1.057 278 I HN 0.245 nan 8.210 nan 0.000 0.413 279 L N 0.652 121.790 121.223 -0.141 0.000 2.131 279 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 279 L C 2.636 179.513 176.870 0.013 0.000 1.092 279 L CA 1.400 56.208 54.840 -0.053 0.000 0.759 279 L CB -0.468 41.588 42.059 -0.005 0.000 0.903 279 L HN 0.274 nan 8.230 nan 0.000 0.435 280 K N 0.445 120.837 120.400 -0.014 0.000 1.995 280 K HA -0.130 4.190 4.320 -0.000 0.000 0.207 280 K C 1.909 178.504 176.600 -0.009 0.000 1.041 280 K CA 1.233 57.517 56.287 -0.004 0.000 0.942 280 K CB 0.009 32.498 32.500 -0.019 0.000 0.731 280 K HN 0.221 nan 8.250 nan 0.000 0.439 281 E N 0.151 120.337 120.200 -0.022 0.000 2.107 281 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 281 E C 1.591 178.185 176.600 -0.010 0.000 0.982 281 E CA 1.108 57.498 56.400 -0.016 0.000 0.809 281 E CB 0.234 29.923 29.700 -0.018 0.000 0.756 281 E HN 0.433 nan 8.360 nan 0.000 0.459 282 E N -0.270 119.918 120.200 -0.020 0.000 2.473 282 E HA 0.118 4.467 4.350 -0.000 0.000 0.204 282 E C 1.316 177.920 176.600 0.008 0.000 0.994 282 E CA 0.100 56.498 56.400 -0.004 0.000 0.945 282 E CB 0.653 30.352 29.700 -0.002 0.000 0.990 282 E HN 0.154 nan 8.360 nan 0.000 0.493 283 L N -0.608 120.618 121.223 0.005 0.000 2.966 283 L HA 0.314 4.654 4.340 -0.000 0.000 0.262 283 L C 1.048 177.957 176.870 0.066 0.000 1.165 283 L CA -0.021 54.837 54.840 0.029 0.000 0.978 283 L CB 0.803 42.866 42.059 0.007 0.000 1.337 283 L HN 0.142 nan 8.230 nan 0.000 0.563 284 G N 0.986 109.816 108.800 0.050 0.000 2.361 284 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.294 284 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.294 284 G C -0.135 174.816 174.900 0.085 0.000 1.004 284 G CA 0.507 45.636 45.100 0.047 0.000 0.870 284 G HN 0.479 nan 8.290 nan 0.000 0.510 285 Y N 0.641 120.924 120.300 -0.029 0.000 2.575 285 Y HA 0.535 5.085 4.550 -0.000 0.000 0.326 285 Y C -2.205 173.678 175.900 -0.028 0.000 0.979 285 Y CA -2.801 55.284 58.100 -0.025 0.000 1.286 285 Y CB 1.705 40.149 38.460 -0.026 0.000 1.093 285 Y HN 0.049 nan 8.280 nan 0.000 0.501 286 P HA -0.017 nan 4.420 nan 0.000 0.262 286 P C -1.040 176.133 177.300 -0.212 0.000 1.199 286 P CA 0.321 63.299 63.100 -0.202 0.000 0.763 286 P CB 0.958 32.531 31.700 -0.212 0.000 0.790 287 V N 4.055 123.950 119.914 -0.032 0.000 2.495 287 V HA 0.738 4.858 4.120 -0.000 0.000 0.298 287 V C 0.591 176.703 176.094 0.031 0.000 1.031 287 V CA -0.214 62.115 62.300 0.048 0.000 0.871 287 V CB 1.594 33.484 31.823 0.111 0.000 0.988 287 V HN 0.678 nan 8.190 nan 0.000 0.432 288 G N 4.171 113.001 108.800 0.050 0.000 2.514 288 G HA2 0.169 4.129 3.960 -0.000 0.000 0.245 288 G HA3 0.169 4.129 3.960 -0.000 0.000 0.245 288 G C 0.298 175.256 174.900 0.097 0.000 1.488 288 G CA 0.305 45.438 45.100 0.054 0.000 1.063 288 G HN 0.816 nan 8.290 nan 0.000 0.557 289 Q N -0.889 118.969 119.800 0.098 0.000 2.436 289 Q HA 0.158 4.498 4.340 -0.000 0.000 0.209 289 Q C -0.234 175.879 176.000 0.187 0.000 0.965 289 Q CA 0.795 56.675 55.803 0.127 0.000 0.910 289 Q CB 0.265 29.046 28.738 0.070 0.000 0.980 289 Q HN 0.427 nan 8.270 nan 0.000 0.491 290 D N -0.718 119.795 120.400 0.187 0.000 2.819 290 D HA 0.278 4.918 4.640 -0.000 0.000 0.232 290 D C -1.349 175.085 176.300 0.225 0.000 1.160 290 D CA -0.602 53.537 54.000 0.232 0.000 0.858 290 D CB 1.342 42.228 40.800 0.142 0.000 1.610 290 D HN -0.055 nan 8.370 nan 0.000 0.481 291 L N 2.620 124.006 121.223 0.272 0.000 2.361 291 L HA 0.283 4.623 4.340 -0.000 0.000 0.278 291 L C 0.927 177.881 176.870 0.141 0.000 1.113 291 L CA -0.482 54.470 54.840 0.186 0.000 0.849 291 L CB 0.644 42.812 42.059 0.183 0.000 1.155 291 L HN 0.406 nan 8.230 nan 0.000 0.452 292 S N 1.264 117.038 115.700 0.125 0.000 2.614 292 S HA 0.064 4.534 4.470 -0.000 0.000 0.265 292 S C 1.012 175.637 174.600 0.041 0.000 1.303 292 S CA -0.510 57.746 58.200 0.093 0.000 1.000 292 S CB 1.497 64.776 63.200 0.132 0.000 0.935 292 S HN 0.779 nan 8.310 nan 0.000 0.551 293 E N 0.518 120.732 120.200 0.023 0.000 2.097 293 E HA -0.311 4.039 4.350 -0.000 0.000 0.196 293 E C 1.708 178.276 176.600 -0.052 0.000 1.000 293 E CA 1.848 58.240 56.400 -0.012 0.000 0.804 293 E CB -0.296 29.396 29.700 -0.014 0.000 0.740 293 E HN 0.829 nan 8.360 nan 0.000 0.454 294 E N 0.520 120.687 120.200 -0.056 0.000 2.085 294 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 294 E C 1.777 178.184 176.600 -0.321 0.000 0.994 294 E CA 1.716 58.026 56.400 -0.150 0.000 0.801 294 E CB -0.420 29.230 29.700 -0.084 0.000 0.743 294 E HN 0.381 nan 8.360 nan 0.000 0.453 295 A N 0.720 123.355 122.820 -0.309 0.000 1.877 295 A HA -0.208 4.111 4.320 -0.000 0.000 0.216 295 A C 2.074 179.555 177.584 -0.171 0.000 1.186 295 A CA 1.741 53.580 52.037 -0.330 0.000 0.620 295 A CB -0.684 18.256 19.000 -0.100 0.000 0.822 295 A HN 0.389 nan 8.150 nan 0.000 0.443 296 E N -0.863 119.287 120.200 -0.084 0.000 2.160 296 E HA -0.234 4.116 4.350 -0.000 0.000 0.195 296 E C 2.220 178.780 176.600 -0.067 0.000 0.991 296 E CA 1.295 57.671 56.400 -0.040 0.000 0.810 296 E CB -0.165 29.531 29.700 -0.006 0.000 0.742 296 E HN 0.639 nan 8.360 nan 0.000 0.466 297 R N 0.422 120.860 120.500 -0.104 0.000 2.115 297 R HA -0.103 4.236 4.340 -0.000 0.000 0.226 297 R C 1.906 178.145 176.300 -0.102 0.000 1.100 297 R CA 0.647 56.682 56.100 -0.108 0.000 0.980 297 R CB 0.078 30.308 30.300 -0.117 0.000 0.875 297 R HN 0.057 nan 8.270 nan 0.000 0.445 298 L N 0.621 121.762 121.223 -0.135 0.000 2.109 298 L HA -0.037 4.303 4.340 -0.000 0.000 0.207 298 L C 2.090 178.944 176.870 -0.026 0.000 1.086 298 L CA 1.332 56.108 54.840 -0.108 0.000 0.760 298 L CB -0.449 41.493 42.059 -0.195 0.000 0.910 298 L HN 0.202 nan 8.230 nan 0.000 0.437 299 L N -1.054 120.151 121.223 -0.030 0.000 2.191 299 L HA -0.142 4.198 4.340 -0.000 0.000 0.212 299 L C 2.454 179.401 176.870 0.129 0.000 1.103 299 L CA 1.144 56.015 54.840 0.052 0.000 0.769 299 L CB -1.045 41.027 42.059 0.022 0.000 0.908 299 L HN 0.406 nan 8.230 nan 0.000 0.438 300 G N -0.300 108.525 108.800 0.043 0.000 2.404 300 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.215 300 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.215 300 G C 1.388 176.310 174.900 0.036 0.000 1.174 300 G CA 0.461 45.572 45.100 0.019 0.000 0.780 300 G HN 0.404 nan 8.290 nan 0.000 0.537 301 E N -0.638 119.573 120.200 0.019 0.000 2.160 301 E HA -0.181 4.169 4.350 -0.000 0.000 0.195 301 E C 2.037 178.675 176.600 0.063 0.000 0.991 301 E CA 0.955 57.364 56.400 0.015 0.000 0.810 301 E CB -0.264 29.434 29.700 -0.003 0.000 0.742 301 E HN 0.626 nan 8.360 nan 0.000 0.466 302 Y N 1.276 121.575 120.300 -0.003 0.000 2.145 302 Y HA -0.235 4.315 4.550 -0.000 0.000 0.286 302 Y C 2.370 178.311 175.900 0.068 0.000 1.145 302 Y CA 1.573 59.680 58.100 0.011 0.000 1.148 302 Y CB -0.245 38.231 38.460 0.026 0.000 0.981 302 Y HN -0.001 nan 8.280 nan 0.000 0.507 303 A N 0.093 123.060 122.820 0.245 0.000 1.940 303 A HA -0.241 4.078 4.320 -0.000 0.000 0.219 303 A C 2.122 179.823 177.584 0.195 0.000 1.176 303 A CA 2.020 54.275 52.037 0.362 0.000 0.631 303 A CB -0.692 18.515 19.000 0.344 0.000 0.814 303 A HN 0.463 nan 8.150 nan 0.000 0.446 304 K N -0.182 120.260 120.400 0.070 0.000 2.211 304 K HA -0.137 4.183 4.320 -0.000 0.000 0.203 304 K C 1.892 178.474 176.600 -0.031 0.000 1.050 304 K CA 1.621 57.924 56.287 0.027 0.000 0.945 304 K CB -0.056 32.437 32.500 -0.012 0.000 0.732 304 K HN 0.506 nan 8.250 nan 0.000 0.451 305 E N 0.358 120.487 120.200 -0.118 0.000 2.024 305 E HA -0.080 4.270 4.350 -0.000 0.000 0.190 305 E C 2.047 178.473 176.600 -0.291 0.000 0.974 305 E CA 1.298 57.586 56.400 -0.188 0.000 0.810 305 E CB -0.214 29.355 29.700 -0.218 0.000 0.775 305 E HN 0.225 nan 8.360 nan 0.000 0.453 306 R N -0.868 119.305 120.500 -0.545 0.000 2.073 306 R HA -0.096 4.243 4.340 -0.000 0.000 0.234 306 R C 1.351 177.254 176.300 -0.661 0.000 1.134 306 R CA 1.890 57.493 56.100 -0.828 0.000 0.952 306 R CB -0.225 29.132 30.300 -1.572 0.000 0.850 306 R HN 0.374 nan 8.270 nan 0.000 0.433 307 W N -0.813 120.421 121.300 -0.110 0.000 2.871 307 W HA 0.349 5.009 4.660 -0.000 0.000 0.340 307 W C 0.545 177.057 176.519 -0.011 0.000 1.058 307 W CA 0.293 57.616 57.345 -0.037 0.000 1.633 307 W CB 0.320 29.779 29.460 -0.002 0.000 1.067 307 W HN 0.412 nan 8.180 nan 0.000 0.554 308 G N 2.357 111.245 108.800 0.147 0.000 2.338 308 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.296 308 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.296 308 G C -0.129 174.864 174.900 0.156 0.000 1.040 308 G CA 0.872 46.037 45.100 0.108 0.000 1.004 308 G HN 0.140 nan 8.290 nan 0.000 0.509 309 S N -0.932 114.882 115.700 0.190 0.000 2.502 309 S HA 0.549 5.019 4.470 -0.000 0.000 0.304 309 S C 0.729 175.400 174.600 0.117 0.000 1.097 309 S CA -0.480 57.843 58.200 0.205 0.000 1.045 309 S CB 1.190 64.531 63.200 0.235 0.000 1.019 309 S HN 0.151 nan 8.310 nan 0.000 0.481 310 D N 2.949 123.378 120.400 0.048 0.000 2.363 310 D HA 0.102 4.742 4.640 -0.000 0.000 0.226 310 D C -0.565 175.509 176.300 -0.378 0.000 1.020 310 D CA 0.618 54.481 54.000 -0.229 0.000 0.892 310 D CB 0.206 40.803 40.800 -0.338 0.000 0.900 310 D HN 0.516 nan 8.370 nan 0.000 0.531 311 W N 0.325 121.644 121.300 0.031 0.000 2.781 311 W HA 0.577 5.237 4.660 -0.000 0.000 0.345 311 W C -0.567 175.873 176.519 -0.132 0.000 1.085 311 W CA -1.028 56.273 57.345 -0.073 0.000 1.198 311 W CB 1.337 30.677 29.460 -0.200 0.000 1.423 311 W HN -0.348 nan 8.180 nan 0.000 0.532 312 L N 2.337 123.567 121.223 0.012 0.000 2.641 312 L HA 0.519 4.859 4.340 -0.000 0.000 0.261 312 L C -1.958 174.848 176.870 -0.107 0.000 0.926 312 L CA -0.916 53.896 54.840 -0.048 0.000 0.917 312 L CB 0.590 42.678 42.059 0.048 0.000 1.361 312 L HN 0.292 nan 8.230 nan 0.000 0.417 313 F N 4.188 124.157 119.950 0.032 0.000 2.385 313 F HA 0.657 5.184 4.527 -0.000 0.000 0.336 313 F C 0.296 176.150 175.800 0.091 0.000 1.100 313 F CA -0.341 57.702 58.000 0.071 0.000 1.116 313 F CB 1.797 40.789 39.000 -0.014 0.000 1.166 313 F HN 0.187 nan 8.300 nan 0.000 0.511 314 V N 2.728 122.884 119.914 0.402 0.000 2.350 314 V HA 0.409 4.529 4.120 -0.000 0.000 0.285 314 V C -0.114 176.181 176.094 0.335 0.000 1.014 314 V CA -0.708 61.758 62.300 0.277 0.000 0.831 314 V CB 1.359 33.330 31.823 0.246 0.000 1.000 314 V HN 0.890 nan 8.190 nan 0.000 0.433 315 T N 1.844 116.512 114.554 0.190 0.000 2.948 315 T HA 0.700 5.050 4.350 -0.000 0.000 0.285 315 T C -0.003 174.759 174.700 0.104 0.000 1.019 315 T CA -0.805 61.417 62.100 0.203 0.000 1.013 315 T CB 1.345 70.281 68.868 0.114 0.000 1.117 315 T HN 0.471 nan 8.240 nan 0.000 0.533 316 R N 0.302 120.897 120.500 0.160 0.000 2.994 316 R HA -0.137 4.203 4.340 -0.000 0.000 0.267 316 R C -1.455 174.866 176.300 0.034 0.000 0.914 316 R CA 0.159 56.322 56.100 0.104 0.000 0.668 316 R CB -2.661 27.675 30.300 0.060 0.000 1.524 316 R HN 0.806 nan 8.270 nan 0.000 0.478 317 Y N 1.715 122.026 120.300 0.018 0.000 2.301 317 Y HA 0.303 4.853 4.550 -0.000 0.000 0.325 317 Y C -1.333 174.487 175.900 -0.134 0.000 1.203 317 Y CA -2.139 55.891 58.100 -0.117 0.000 1.255 317 Y CB 0.784 39.179 38.460 -0.108 0.000 1.232 317 Y HN 0.208 nan 8.280 nan 0.000 0.501 318 P HA 0.103 nan 4.420 nan 0.000 0.268 318 P C 0.108 177.396 177.300 -0.020 0.000 1.204 318 P CA 0.107 63.172 63.100 -0.057 0.000 0.768 318 P CB 0.697 32.333 31.700 -0.106 0.000 0.842 319 R N 1.856 122.346 120.500 -0.016 0.000 2.119 319 R HA -0.174 4.166 4.340 -0.000 0.000 0.246 319 R C 2.108 178.383 176.300 -0.042 0.000 1.146 319 R CA 2.202 58.283 56.100 -0.031 0.000 0.962 319 R CB -1.065 29.216 30.300 -0.031 0.000 0.863 319 R HN 0.596 nan 8.270 nan 0.000 0.442 320 S N 0.244 115.925 115.700 -0.032 0.000 2.420 320 S HA -0.109 4.361 4.470 -0.000 0.000 0.237 320 S C 1.729 176.310 174.600 -0.032 0.000 1.023 320 S CA 1.274 59.457 58.200 -0.028 0.000 0.991 320 S CB -0.087 63.103 63.200 -0.017 0.000 0.792 320 S HN 0.209 nan 8.310 nan 0.000 0.488 321 V N 1.382 121.274 119.914 -0.037 0.000 3.121 321 V HA 0.454 4.574 4.120 -0.000 0.000 0.344 321 V C -0.482 175.561 176.094 -0.084 0.000 1.390 321 V CA -0.355 61.923 62.300 -0.037 0.000 1.177 321 V CB -0.312 31.510 31.823 -0.003 0.000 1.163 321 V HN 0.247 nan 8.190 nan 0.000 0.484 322 R N 0.851 121.287 120.500 -0.107 0.000 2.725 322 R HA 0.546 4.885 4.340 -0.000 0.000 0.277 322 R C -2.832 173.327 176.300 -0.235 0.000 0.987 322 R CA -2.274 53.718 56.100 -0.180 0.000 0.901 322 R CB 1.232 31.431 30.300 -0.168 0.000 1.207 322 R HN 0.016 nan 8.270 nan 0.000 0.463 323 P HA -0.042 nan 4.420 nan 0.000 0.269 323 P C 0.829 177.781 177.300 -0.579 0.000 1.205 323 P CA 0.146 62.907 63.100 -0.566 0.000 0.780 323 P CB 0.211 31.183 31.700 -1.215 0.000 0.858 324 F N 0.381 120.046 119.950 -0.476 0.000 2.216 324 F HA -0.151 4.376 4.527 -0.000 0.000 0.300 324 F C 1.735 177.358 175.800 -0.295 0.000 1.085 324 F CA 0.607 58.404 58.000 -0.337 0.000 1.326 324 F CB -1.653 37.159 39.000 -0.312 0.000 1.027 324 F HN 0.311 nan 8.300 nan 0.000 0.497 325 Y N 0.858 120.495 120.300 -1.104 0.000 2.578 325 Y HA 0.345 4.895 4.550 -0.000 0.000 0.297 325 Y C 0.288 176.003 175.900 -0.308 0.000 1.176 325 Y CA -0.978 56.671 58.100 -0.751 0.000 1.315 325 Y CB -2.098 35.855 38.460 -0.845 0.000 1.031 325 Y HN -0.112 nan 8.280 nan 0.000 0.524 326 T N 1.487 115.852 114.554 -0.316 0.000 2.884 326 T HA 0.007 4.357 4.350 -0.000 0.000 0.298 326 T C -0.822 173.875 174.700 -0.005 0.000 0.998 326 T CA -0.369 61.675 62.100 -0.093 0.000 1.124 326 T CB 0.250 69.017 68.868 -0.167 0.000 0.931 326 T HN 0.348 nan 8.240 nan 0.000 0.531 327 Y N 5.827 126.121 120.300 -0.010 0.000 2.650 327 Y HA 0.203 4.753 4.550 -0.000 0.000 0.342 327 Y C -2.126 173.769 175.900 -0.008 0.000 1.110 327 Y CA -1.982 56.115 58.100 -0.006 0.000 1.438 327 Y CB 0.352 38.828 38.460 0.026 0.000 1.181 327 Y HN 0.444 nan 8.280 nan 0.000 0.526 328 P HA 0.139 nan 4.420 nan 0.000 0.277 328 P C -0.816 176.549 177.300 0.110 0.000 1.240 328 P CA -0.238 62.856 63.100 -0.011 0.000 0.798 328 P CB 1.116 32.745 31.700 -0.117 0.000 0.979 329 E N 1.085 121.347 120.200 0.104 0.000 2.259 329 E HA 0.154 4.504 4.350 -0.000 0.000 0.257 329 E C 1.091 177.726 176.600 0.058 0.000 0.998 329 E CA -0.583 55.885 56.400 0.114 0.000 0.866 329 E CB 0.848 30.610 29.700 0.103 0.000 1.220 329 E HN 0.382 nan 8.360 nan 0.000 0.415 330 E N 0.652 120.886 120.200 0.056 0.000 2.107 330 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 330 E C 0.622 177.237 176.600 0.025 0.000 0.982 330 E CA 1.036 57.456 56.400 0.034 0.000 0.809 330 E CB -0.081 29.640 29.700 0.035 0.000 0.756 330 E HN 0.428 nan 8.360 nan 0.000 0.459 331 D N -0.943 119.475 120.400 0.031 0.000 2.434 331 D HA 0.182 4.822 4.640 -0.000 0.000 0.232 331 D C 1.141 177.455 176.300 0.023 0.000 1.166 331 D CA 0.491 54.506 54.000 0.025 0.000 0.830 331 D CB 0.178 40.995 40.800 0.028 0.000 0.960 331 D HN 0.159 nan 8.370 nan 0.000 0.497 332 G N -0.176 108.636 108.800 0.019 0.000 2.225 332 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.254 332 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.254 332 G C 0.709 175.619 174.900 0.017 0.000 0.988 332 G CA 0.637 45.745 45.100 0.012 0.000 0.625 332 G HN 0.789 nan 8.290 nan 0.000 0.527 333 T N -1.030 113.543 114.554 0.031 0.000 2.771 333 T HA 0.689 5.039 4.350 -0.000 0.000 0.290 333 T C 0.378 175.116 174.700 0.063 0.000 1.005 333 T CA 0.875 63.001 62.100 0.042 0.000 0.944 333 T CB 1.698 70.596 68.868 0.051 0.000 1.147 333 T HN 1.470 nan 8.240 nan 0.000 0.534 334 T N -1.989 112.619 114.554 0.090 0.000 2.883 334 T HA 0.499 4.849 4.350 -0.000 0.000 0.301 334 T C -0.376 174.413 174.700 0.148 0.000 1.158 334 T CA -1.227 60.944 62.100 0.118 0.000 1.007 334 T CB 1.330 70.249 68.868 0.085 0.000 1.186 334 T HN 0.609 nan 8.240 nan 0.000 0.499 335 R N 2.007 122.610 120.500 0.172 0.000 4.154 335 R HA 0.377 4.717 4.340 -0.000 0.000 0.186 335 R C 0.350 176.765 176.300 0.192 0.000 1.750 335 R CA -0.281 55.907 56.100 0.147 0.000 1.431 335 R CB -0.589 29.754 30.300 0.073 0.000 1.383 335 R HN 0.795 nan 8.270 nan 0.000 0.788 336 S N 0.698 116.532 115.700 0.224 0.000 2.709 336 S HA 0.835 5.305 4.470 -0.000 0.000 0.302 336 S C -0.495 174.342 174.600 0.395 0.000 1.127 336 S CA -0.936 57.397 58.200 0.222 0.000 0.905 336 S CB 1.773 65.046 63.200 0.123 0.000 1.151 336 S HN 0.384 nan 8.310 nan 0.000 0.510 337 F N -1.709 118.355 119.950 0.190 0.000 2.744 337 F HA 0.802 5.329 4.527 -0.000 0.000 0.311 337 F C -2.309 173.644 175.800 0.255 0.000 1.144 337 F CA -0.867 57.289 58.000 0.259 0.000 0.938 337 F CB 0.867 39.944 39.000 0.129 0.000 1.292 337 F HN 0.474 nan 8.300 nan 0.000 0.444 338 D N 2.123 122.831 120.400 0.513 0.000 2.780 338 D HA 0.481 5.121 4.640 -0.000 0.000 0.242 338 D C -1.666 174.883 176.300 0.415 0.000 1.135 338 D CA -0.238 53.953 54.000 0.318 0.000 0.859 338 D CB 2.705 43.649 40.800 0.239 0.000 1.530 338 D HN 0.714 nan 8.370 nan 0.000 0.493 339 L N 2.737 124.126 121.223 0.277 0.000 2.264 339 L HA 0.465 4.805 4.340 -0.000 0.000 0.289 339 L C -1.226 175.679 176.870 0.058 0.000 1.044 339 L CA -0.270 54.608 54.840 0.064 0.000 0.807 339 L CB 0.679 42.732 42.059 -0.011 0.000 1.192 339 L HN 0.354 nan 8.230 nan 0.000 0.425 340 L N 6.387 127.624 121.223 0.024 0.000 2.283 340 L HA 0.321 4.661 4.340 -0.000 0.000 0.281 340 L C -0.856 176.025 176.870 0.019 0.000 1.033 340 L CA -0.416 54.442 54.840 0.029 0.000 0.848 340 L CB 0.696 42.772 42.059 0.029 0.000 1.226 340 L HN 0.491 nan 8.230 nan 0.000 0.429 341 F N 4.649 124.468 119.950 -0.218 0.000 2.390 341 F HA 0.366 4.893 4.527 -0.000 0.000 0.361 341 F C 1.066 176.617 175.800 -0.415 0.000 1.124 341 F CA -1.040 56.670 58.000 -0.483 0.000 1.149 341 F CB 0.077 38.744 39.000 -0.555 0.000 1.160 341 F HN 0.479 nan 8.300 nan 0.000 0.501 342 R N 4.178 124.295 120.500 -0.638 0.000 3.416 342 R HA -0.206 4.134 4.340 -0.000 0.000 0.263 342 R C 1.037 177.116 176.300 -0.370 0.000 1.053 342 R CA 0.758 56.492 56.100 -0.609 0.000 0.705 342 R CB -1.910 27.820 30.300 -0.951 0.000 1.124 342 R HN 1.318 nan 8.270 nan 0.000 0.444 343 G N -1.010 107.654 108.800 -0.226 0.000 2.179 343 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.260 343 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.260 343 G C -0.210 174.615 174.900 -0.126 0.000 0.977 343 G CA 0.215 45.227 45.100 -0.146 0.000 0.641 343 G HN 0.313 nan 8.290 nan 0.000 0.533 344 L N 0.946 122.083 121.223 -0.143 0.000 2.349 344 L HA 0.663 5.003 4.340 -0.000 0.000 0.278 344 L C 0.316 177.161 176.870 -0.041 0.000 0.996 344 L CA -1.107 53.674 54.840 -0.099 0.000 0.825 344 L CB 1.608 43.586 42.059 -0.135 0.000 1.243 344 L HN 0.271 nan 8.230 nan 0.000 0.412 345 E N 4.877 125.067 120.200 -0.016 0.000 2.493 345 E HA 0.022 4.372 4.350 -0.000 0.000 0.255 345 E C 0.542 177.149 176.600 0.011 0.000 0.999 345 E CA 0.394 56.803 56.400 0.015 0.000 0.934 345 E CB 0.482 30.191 29.700 0.015 0.000 0.940 345 E HN 0.750 nan 8.360 nan 0.000 0.473 346 I N 0.881 121.481 120.570 0.050 0.000 4.288 346 I HA 0.280 4.450 4.170 -0.000 0.000 0.331 346 I C -0.254 175.910 176.117 0.079 0.000 1.322 346 I CA -0.435 60.900 61.300 0.058 0.000 1.149 346 I CB 1.110 39.175 38.000 0.108 0.000 1.112 346 I HN 0.163 nan 8.210 nan 0.000 0.403 347 T N 0.557 115.166 114.554 0.091 0.000 2.993 347 T HA 0.480 4.830 4.350 -0.000 0.000 0.312 347 T C -0.908 173.829 174.700 0.062 0.000 1.115 347 T CA -0.455 61.719 62.100 0.123 0.000 1.027 347 T CB 2.386 71.356 68.868 0.170 0.000 1.116 347 T HN 0.151 nan 8.240 nan 0.000 0.464 348 S N 1.059 116.767 115.700 0.014 0.000 2.541 348 S HA 0.937 5.406 4.470 -0.000 0.000 0.280 348 S C -0.344 174.126 174.600 -0.216 0.000 1.112 348 S CA 0.036 58.149 58.200 -0.145 0.000 0.925 348 S CB 1.379 64.519 63.200 -0.099 0.000 1.067 348 S HN 1.268 nan 8.310 nan 0.000 0.479 349 G N 1.095 109.562 108.800 -0.556 0.000 2.428 349 G HA2 0.700 4.660 3.960 -0.000 0.000 0.304 349 G HA3 0.700 4.660 3.960 -0.000 0.000 0.304 349 G C -0.321 174.279 174.900 -0.501 0.000 1.303 349 G CA 0.089 44.923 45.100 -0.443 0.000 0.825 349 G HN 1.638 nan 8.290 nan 0.000 0.484 350 G N -1.590 107.195 108.800 -0.026 0.000 2.337 350 G HA2 0.526 4.486 3.960 -0.000 0.000 0.298 350 G HA3 0.526 4.486 3.960 -0.000 0.000 0.298 350 G C -1.179 173.865 174.900 0.241 0.000 1.335 350 G CA 0.052 45.269 45.100 0.194 0.000 0.875 350 G HN 0.786 nan 8.290 nan 0.000 0.579 351 Q N -0.035 119.891 119.800 0.210 0.000 2.299 351 Q HA 0.551 4.891 4.340 -0.000 0.000 0.246 351 Q C 0.055 176.190 176.000 0.224 0.000 0.935 351 Q CA -0.617 55.290 55.803 0.173 0.000 0.887 351 Q CB 0.616 29.379 28.738 0.041 0.000 1.223 351 Q HN 0.485 nan 8.270 nan 0.000 0.439 352 R N 2.830 123.441 120.500 0.185 0.000 2.674 352 R HA 0.467 4.807 4.340 -0.000 0.000 0.266 352 R C -0.145 176.251 176.300 0.161 0.000 1.016 352 R CA -0.766 55.454 56.100 0.199 0.000 1.062 352 R CB 0.286 30.759 30.300 0.289 0.000 1.142 352 R HN 0.661 nan 8.270 nan 0.000 0.517 353 I N 2.169 122.798 120.570 0.098 0.000 2.529 353 I HA 0.029 4.199 4.170 -0.000 0.000 0.284 353 I C 1.244 177.398 176.117 0.062 0.000 1.082 353 I CA 0.046 61.329 61.300 -0.028 0.000 1.406 353 I CB 0.401 38.284 38.000 -0.195 0.000 1.405 353 I HN 0.799 nan 8.210 nan 0.000 0.548 354 H N 3.115 122.228 119.070 0.072 0.000 3.058 354 H HA 0.333 4.889 4.556 -0.000 0.000 0.266 354 H C -0.086 175.414 175.328 0.287 0.000 1.135 354 H CA -0.633 55.582 56.048 0.280 0.000 1.174 354 H CB 0.309 30.140 29.762 0.115 0.000 1.581 354 H HN 0.276 nan 8.280 nan 0.000 0.553 355 R N 1.221 121.591 120.500 -0.217 0.000 2.221 355 R HA 0.057 4.396 4.340 -0.000 0.000 0.327 355 R C 0.008 176.305 176.300 -0.005 0.000 1.033 355 R CA -0.557 55.488 56.100 -0.093 0.000 0.887 355 R CB 0.289 30.458 30.300 -0.219 0.000 1.057 355 R HN 0.335 nan 8.270 nan 0.000 0.455 356 Y N 3.456 123.763 120.300 0.011 0.000 2.102 356 Y HA -0.316 4.234 4.550 -0.000 0.000 0.280 356 Y C 1.628 177.494 175.900 -0.056 0.000 1.178 356 Y CA 2.025 60.123 58.100 -0.003 0.000 1.146 356 Y CB 0.303 38.771 38.460 0.014 0.000 0.968 356 Y HN 0.503 nan 8.280 nan 0.000 0.504 357 E N 0.598 120.770 120.200 -0.046 0.000 2.058 357 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 357 E C 1.976 178.452 176.600 -0.207 0.000 0.997 357 E CA 1.830 58.145 56.400 -0.141 0.000 0.801 357 E CB -0.380 29.315 29.700 -0.008 0.000 0.746 357 E HN 0.723 nan 8.360 nan 0.000 0.450 358 E N 0.203 120.292 120.200 -0.186 0.000 2.409 358 E HA -0.126 4.224 4.350 -0.000 0.000 0.198 358 E C 1.896 178.367 176.600 -0.214 0.000 1.024 358 E CA 0.162 56.441 56.400 -0.202 0.000 0.861 358 E CB 0.008 29.561 29.700 -0.244 0.000 0.788 358 E HN 0.076 nan 8.360 nan 0.000 0.521 359 L N -0.114 120.955 121.223 -0.257 0.000 2.095 359 L HA -0.140 4.200 4.340 -0.000 0.000 0.204 359 L C 1.966 178.725 176.870 -0.184 0.000 1.080 359 L CA 1.060 55.773 54.840 -0.211 0.000 0.759 359 L CB -0.233 41.659 42.059 -0.279 0.000 0.914 359 L HN 0.115 nan 8.230 nan 0.000 0.439 360 L N -0.728 120.339 121.223 -0.260 0.000 2.056 360 L HA -0.181 4.159 4.340 -0.000 0.000 0.207 360 L C 2.504 179.295 176.870 -0.132 0.000 1.078 360 L CA 1.419 56.145 54.840 -0.190 0.000 0.749 360 L CB -0.835 41.096 42.059 -0.213 0.000 0.901 360 L HN 0.266 nan 8.230 nan 0.000 0.433 361 E N -0.888 119.230 120.200 -0.137 0.000 2.171 361 E HA -0.221 4.129 4.350 -0.000 0.000 0.197 361 E C 1.939 178.484 176.600 -0.092 0.000 0.997 361 E CA 1.310 57.647 56.400 -0.105 0.000 0.810 361 E CB -0.094 29.538 29.700 -0.114 0.000 0.738 361 E HN 0.244 nan 8.360 nan 0.000 0.467 362 S N -0.915 114.729 115.700 -0.094 0.000 2.582 362 S HA 0.279 4.749 4.470 -0.000 0.000 0.234 362 S C 0.018 174.590 174.600 -0.047 0.000 0.961 362 S CA -0.507 57.655 58.200 -0.063 0.000 0.953 362 S CB -0.077 63.088 63.200 -0.059 0.000 0.800 362 S HN 0.117 nan 8.310 nan 0.000 0.471 371 E N 1.345 121.581 120.200 0.062 0.000 2.516 371 E HA 0.205 4.555 4.350 -0.000 0.000 0.199 371 E C 1.484 178.106 176.600 0.038 0.000 1.069 371 E CA 0.876 57.335 56.400 0.099 0.000 0.876 371 E CB -0.187 29.555 29.700 0.071 0.000 0.843 371 E HN 0.359 nan 8.360 nan 0.000 0.530 372 A N 1.534 124.297 122.820 -0.095 0.000 1.898 372 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 372 A C 1.128 178.495 177.584 -0.361 0.000 1.181 372 A CA 0.621 52.458 52.037 -0.334 0.000 0.620 372 A CB -0.578 18.034 19.000 -0.647 0.000 0.819 372 A HN 0.316 nan 8.150 nan 0.000 0.442 373 F N -0.397 119.558 119.950 0.008 0.000 2.974 373 F HA 0.197 4.724 4.527 -0.000 0.000 0.292 373 F C 1.532 177.438 175.800 0.177 0.000 1.209 373 F CA -0.213 57.822 58.000 0.058 0.000 1.366 373 F CB -0.453 38.515 39.000 -0.054 0.000 1.033 373 F HN 0.387 nan 8.300 nan 0.000 0.516 374 H N 0.498 119.680 119.070 0.188 0.000 2.421 374 H HA -0.080 4.476 4.556 -0.000 0.000 0.298 374 H C 2.106 177.564 175.328 0.217 0.000 1.087 374 H CA 1.602 57.765 56.048 0.191 0.000 1.330 374 H CB 0.163 29.992 29.762 0.113 0.000 1.388 374 H HN 0.521 nan 8.280 nan 0.000 0.526 375 G N -1.078 107.897 108.800 0.292 0.000 2.551 375 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 375 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 375 G C 1.552 176.590 174.900 0.229 0.000 1.137 375 G CA 0.332 45.570 45.100 0.230 0.000 0.798 375 G HN 0.491 nan 8.290 nan 0.000 0.536 376 Y N 1.155 121.566 120.300 0.184 0.000 2.176 376 Y HA 0.138 4.688 4.550 -0.000 0.000 0.291 376 Y C 2.442 178.517 175.900 0.292 0.000 1.122 376 Y CA 1.008 59.235 58.100 0.212 0.000 1.128 376 Y CB -0.144 38.471 38.460 0.257 0.000 1.005 376 Y HN 0.055 nan 8.280 nan 0.000 0.509 377 L N 0.240 121.678 121.223 0.358 0.000 2.191 377 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 377 L C 2.347 179.418 176.870 0.335 0.000 1.103 377 L CA 1.045 56.101 54.840 0.360 0.000 0.769 377 L CB -0.662 41.607 42.059 0.349 0.000 0.908 377 L HN 0.223 nan 8.230 nan 0.000 0.438 378 E N 0.185 120.471 120.200 0.144 0.000 2.136 378 E HA -0.271 4.079 4.350 -0.000 0.000 0.202 378 E C 2.294 178.978 176.600 0.141 0.000 1.019 378 E CA 1.484 57.929 56.400 0.075 0.000 0.819 378 E CB -0.506 29.233 29.700 0.066 0.000 0.739 378 E HN 0.347 nan 8.360 nan 0.000 0.458 379 V N 0.011 119.976 119.914 0.085 0.000 2.626 379 V HA -0.188 3.932 4.120 -0.000 0.000 0.252 379 V C 1.602 177.648 176.094 -0.079 0.000 1.067 379 V CA 1.187 63.479 62.300 -0.014 0.000 1.081 379 V CB -0.406 31.245 31.823 -0.285 0.000 0.686 379 V HN 0.129 nan 8.190 nan 0.000 0.468 380 F N 0.163 120.129 119.950 0.026 0.000 2.802 380 F HA 0.111 4.638 4.527 -0.000 0.000 0.300 380 F C 2.117 177.914 175.800 -0.004 0.000 1.168 380 F CA 0.697 58.738 58.000 0.068 0.000 1.433 380 F CB -0.253 38.825 39.000 0.131 0.000 1.115 380 F HN 0.105 nan 8.300 nan 0.000 0.582 381 K N -0.587 119.731 120.400 -0.136 0.000 2.296 381 K HA -0.050 4.270 4.320 -0.000 0.000 0.200 381 K C -0.455 175.785 176.600 -0.600 0.000 1.048 381 K CA 0.776 56.710 56.287 -0.589 0.000 0.966 381 K CB -0.021 31.843 32.500 -1.060 0.000 0.754 381 K HN 0.237 nan 8.250 nan 0.000 0.466 382 Y N 0.822 121.095 120.300 -0.045 0.000 2.915 382 Y HA 0.295 4.844 4.550 -0.000 0.000 0.350 382 Y C 0.480 176.358 175.900 -0.038 0.000 1.061 382 Y CA -1.020 57.051 58.100 -0.048 0.000 1.179 382 Y CB 0.800 39.217 38.460 -0.072 0.000 1.180 382 Y HN 0.082 nan 8.280 nan 0.000 0.605 383 G N 2.573 111.427 108.800 0.090 0.000 2.247 383 G HA2 -0.312 3.647 3.960 -0.000 0.000 0.260 383 G HA3 -0.312 3.647 3.960 -0.000 0.000 0.260 383 G C -0.317 174.609 174.900 0.043 0.000 0.852 383 G CA -0.243 44.905 45.100 0.081 0.000 1.281 383 G HN 0.460 nan 8.290 nan 0.000 0.378 384 M N 3.321 122.967 119.600 0.077 0.000 2.144 384 M HA 0.503 4.983 4.480 -0.000 0.000 0.356 384 M C -1.919 174.394 176.300 0.021 0.000 1.217 384 M CA -2.619 52.701 55.300 0.034 0.000 1.087 384 M CB 1.028 33.682 32.600 0.091 0.000 1.609 384 M HN 0.140 nan 8.290 nan 0.000 0.467 385 P HA 0.227 nan 4.420 nan 0.000 0.269 385 P C -2.659 174.392 177.300 -0.415 0.000 1.209 385 P CA -0.957 61.868 63.100 -0.458 0.000 0.776 385 P CB -0.375 30.776 31.700 -0.915 0.000 0.876 386 P HA 0.041 nan 4.420 nan 0.000 0.261 386 P C -0.669 176.482 177.300 -0.248 0.000 1.203 386 P CA 0.739 63.459 63.100 -0.633 0.000 0.767 386 P CB -0.300 31.139 31.700 -0.434 0.000 0.785 387 H N 1.467 120.492 119.070 -0.075 0.000 2.943 387 H HA 0.914 5.470 4.556 -0.000 0.000 0.323 387 H C -0.279 175.100 175.328 0.085 0.000 1.296 387 H CA -1.281 54.759 56.048 -0.013 0.000 1.155 387 H CB 1.106 30.844 29.762 -0.039 0.000 1.882 387 H HN 0.537 nan 8.280 nan 0.000 0.553 388 G N -1.936 107.058 108.800 0.324 0.000 2.441 388 G HA2 0.582 4.542 3.960 -0.000 0.000 0.294 388 G HA3 0.582 4.542 3.960 -0.000 0.000 0.294 388 G C -1.048 174.018 174.900 0.276 0.000 1.393 388 G CA -0.278 44.999 45.100 0.295 0.000 0.796 388 G HN 1.205 nan 8.290 nan 0.000 0.494 389 G N -1.748 107.221 108.800 0.281 0.000 2.490 389 G HA2 0.947 4.907 3.960 -0.000 0.000 0.308 389 G HA3 0.947 4.907 3.960 -0.000 0.000 0.308 389 G C -1.385 173.711 174.900 0.327 0.000 1.286 389 G CA 0.272 45.501 45.100 0.216 0.000 0.825 389 G HN 1.926 nan 8.290 nan 0.000 0.479 390 F N -2.591 117.465 119.950 0.176 0.000 2.807 390 F HA 0.887 5.414 4.527 -0.000 0.000 0.316 390 F C -0.575 175.306 175.800 0.136 0.000 1.162 390 F CA -1.203 56.868 58.000 0.118 0.000 0.910 390 F CB 1.234 40.345 39.000 0.185 0.000 1.314 390 F HN 1.270 nan 8.300 nan 0.000 0.454 391 A N 1.490 124.504 122.820 0.322 0.000 2.414 391 A HA 0.851 5.171 4.320 -0.000 0.000 0.306 391 A C -1.431 176.324 177.584 0.285 0.000 1.054 391 A CA -0.834 51.338 52.037 0.226 0.000 0.724 391 A CB 1.274 20.359 19.000 0.142 0.000 1.267 391 A HN 0.779 nan 8.150 nan 0.000 0.418 392 I N 1.608 122.308 120.570 0.217 0.000 2.392 392 I HA 0.436 4.606 4.170 -0.000 0.000 0.295 392 I C 0.997 177.174 176.117 0.100 0.000 0.985 392 I CA -0.600 60.796 61.300 0.160 0.000 1.221 392 I CB 2.004 40.082 38.000 0.130 0.000 1.366 392 I HN 0.755 nan 8.210 nan 0.000 0.467 393 G N 4.127 112.980 108.800 0.089 0.000 2.519 393 G HA2 0.356 4.316 3.960 -0.000 0.000 0.306 393 G HA3 0.356 4.316 3.960 -0.000 0.000 0.306 393 G C 0.956 175.887 174.900 0.053 0.000 0.965 393 G CA 0.086 45.231 45.100 0.074 0.000 1.291 393 G HN 0.900 nan 8.290 nan 0.000 0.450 394 A N 3.191 126.042 122.820 0.053 0.000 1.884 394 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 394 A C 2.159 179.760 177.584 0.030 0.000 1.197 394 A CA 2.183 54.227 52.037 0.012 0.000 0.637 394 A CB -0.270 18.721 19.000 -0.016 0.000 0.827 394 A HN 0.551 nan 8.150 nan 0.000 0.450 395 E N -0.627 119.600 120.200 0.045 0.000 2.072 395 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 395 E C 2.254 178.865 176.600 0.019 0.000 0.985 395 E CA 1.241 57.662 56.400 0.034 0.000 0.801 395 E CB -0.203 29.523 29.700 0.043 0.000 0.750 395 E HN 0.594 nan 8.360 nan 0.000 0.452 396 R N 0.012 120.512 120.500 0.001 0.000 2.083 396 R HA -0.139 4.201 4.340 -0.000 0.000 0.237 396 R C 2.334 178.654 176.300 0.035 0.000 1.137 396 R CA 1.212 57.306 56.100 -0.011 0.000 0.951 396 R CB -0.526 29.753 30.300 -0.035 0.000 0.851 396 R HN 0.139 nan 8.270 nan 0.000 0.434 397 L N 0.711 121.976 121.223 0.070 0.000 2.042 397 L HA -0.168 4.171 4.340 -0.000 0.000 0.210 397 L C 1.868 178.807 176.870 0.114 0.000 1.076 397 L CA 2.014 56.932 54.840 0.129 0.000 0.749 397 L CB -0.702 41.397 42.059 0.067 0.000 0.893 397 L HN 0.121 nan 8.230 nan 0.000 0.432 398 T N -0.771 113.819 114.554 0.060 0.000 2.821 398 T HA -0.217 4.133 4.350 -0.000 0.000 0.267 398 T C 1.715 176.436 174.700 0.034 0.000 1.046 398 T CA 1.474 63.604 62.100 0.050 0.000 1.139 398 T CB -0.214 68.680 68.868 0.043 0.000 0.871 398 T HN 0.509 nan 8.240 nan 0.000 0.454 399 Q N 0.783 120.590 119.800 0.012 0.000 1.993 399 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 399 Q C 2.054 178.006 176.000 -0.081 0.000 0.984 399 Q CA 1.282 57.067 55.803 -0.029 0.000 0.837 399 Q CB -0.019 28.695 28.738 -0.040 0.000 0.902 399 Q HN 0.188 nan 8.270 nan 0.000 0.423 400 K N 0.554 120.885 120.400 -0.115 0.000 2.211 400 K HA -0.098 4.222 4.320 -0.000 0.000 0.203 400 K C 2.068 178.500 176.600 -0.280 0.000 1.050 400 K CA 0.378 56.483 56.287 -0.304 0.000 0.945 400 K CB -0.366 31.796 32.500 -0.563 0.000 0.732 400 K HN 0.223 nan 8.250 nan 0.000 0.451 401 L N 0.729 121.958 121.223 0.010 0.000 2.027 401 L HA -0.066 4.274 4.340 -0.000 0.000 0.206 401 L C 1.733 178.592 176.870 -0.019 0.000 1.074 401 L CA 1.576 56.447 54.840 0.052 0.000 0.745 401 L CB -0.235 41.849 42.059 0.041 0.000 0.898 401 L HN 0.032 nan 8.230 nan 0.000 0.433 402 L N -0.435 120.787 121.223 -0.002 0.000 2.592 402 L HA 0.294 4.633 4.340 -0.000 0.000 0.227 402 L C 1.273 178.124 176.870 -0.032 0.000 1.127 402 L CA 0.368 55.220 54.840 0.020 0.000 0.884 402 L CB -0.834 41.251 42.059 0.043 0.000 1.065 402 L HN 0.485 nan 8.230 nan 0.000 0.457 403 G N 1.358 110.105 108.800 -0.088 0.000 2.305 403 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.287 403 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.287 403 G C 0.195 175.014 174.900 -0.134 0.000 1.036 403 G CA -0.026 45.000 45.100 -0.124 0.000 0.887 403 G HN 0.279 nan 8.290 nan 0.000 0.505 404 L N -0.729 120.409 121.223 -0.142 0.000 2.426 404 L HA 0.189 4.529 4.340 -0.000 0.000 0.271 404 L C -0.309 176.387 176.870 -0.290 0.000 1.169 404 L CA -1.782 52.926 54.840 -0.220 0.000 0.836 404 L CB 0.773 42.733 42.059 -0.164 0.000 1.112 404 L HN -0.047 nan 8.230 nan 0.000 0.465 405 P HA -0.138 nan 4.420 nan 0.000 0.217 405 P C -0.222 176.919 177.300 -0.266 0.000 1.148 405 P CA 1.281 64.166 63.100 -0.358 0.000 0.828 405 P CB 0.154 31.571 31.700 -0.472 0.000 0.783 406 N N -2.628 115.896 118.700 -0.293 0.000 2.504 406 N HA 0.013 4.753 4.740 -0.000 0.000 0.268 406 N C 0.344 175.895 175.510 0.067 0.000 1.184 406 N CA -0.359 52.663 53.050 -0.046 0.000 0.875 406 N CB 1.491 40.031 38.487 0.088 0.000 1.630 406 N HN -0.320 nan 8.380 nan 0.000 0.486 407 V N 3.680 123.623 119.914 0.049 0.000 2.469 407 V HA -0.168 3.952 4.120 -0.000 0.000 0.251 407 V C 2.251 178.409 176.094 0.106 0.000 1.064 407 V CA 1.812 64.142 62.300 0.050 0.000 1.066 407 V CB -0.478 31.349 31.823 0.008 0.000 0.667 407 V HN 0.655 nan 8.190 nan 0.000 0.461 408 R N -1.398 119.188 120.500 0.142 0.000 2.241 408 R HA -0.152 4.188 4.340 -0.000 0.000 0.224 408 R C 1.988 178.329 176.300 0.069 0.000 1.101 408 R CA 1.559 57.712 56.100 0.089 0.000 0.995 408 R CB -0.488 29.842 30.300 0.050 0.000 0.870 408 R HN 0.567 nan 8.270 nan 0.000 0.463 409 Y N 0.485 120.769 120.300 -0.025 0.000 2.509 409 Y HA -0.024 4.526 4.550 -0.000 0.000 0.293 409 Y C 2.305 178.183 175.900 -0.036 0.000 1.133 409 Y CA 0.764 58.845 58.100 -0.032 0.000 1.283 409 Y CB -0.080 38.365 38.460 -0.025 0.000 1.001 409 Y HN 0.085 nan 8.280 nan 0.000 0.555 410 A N -0.402 122.489 122.820 0.118 0.000 2.195 410 A HA 0.116 4.436 4.320 -0.000 0.000 0.210 410 A C 1.106 178.699 177.584 0.015 0.000 1.165 410 A CA -0.148 51.924 52.037 0.057 0.000 0.806 410 A CB -0.208 18.823 19.000 0.052 0.000 0.847 410 A HN 0.191 nan 8.150 nan 0.000 0.482 411 R N -0.662 119.837 120.500 -0.001 0.000 2.368 411 R HA 0.585 4.925 4.340 -0.000 0.000 0.302 411 R C 1.107 177.340 176.300 -0.113 0.000 1.002 411 R CA 0.453 56.536 56.100 -0.028 0.000 0.929 411 R CB 1.006 31.309 30.300 0.004 0.000 1.073 411 R HN 0.104 nan 8.270 nan 0.000 0.464 412 A N 4.372 127.093 122.820 -0.165 0.000 1.845 412 A HA -0.019 4.301 4.320 -0.000 0.000 0.215 412 A C 0.130 177.302 177.584 -0.687 0.000 1.195 412 A CA 1.028 52.790 52.037 -0.458 0.000 0.616 412 A CB -0.212 18.512 19.000 -0.459 0.000 0.832 412 A HN 0.612 nan 8.150 nan 0.000 0.443 413 F N 0.482 120.436 119.950 0.007 0.000 2.453 413 F HA 0.399 4.926 4.527 -0.000 0.000 0.358 413 F C -2.420 173.387 175.800 0.011 0.000 1.129 413 F CA -2.316 55.691 58.000 0.011 0.000 1.200 413 F CB 0.621 39.637 39.000 0.025 0.000 1.431 413 F HN 0.013 nan 8.300 nan 0.000 0.503 414 P HA 0.066 nan 4.420 nan 0.000 0.270 414 P C 0.981 178.342 177.300 0.101 0.000 1.221 414 P CA -0.364 62.782 63.100 0.076 0.000 0.788 414 P CB 0.910 32.625 31.700 0.024 0.000 0.904 415 R N 1.395 121.950 120.500 0.092 0.000 2.340 415 R HA -0.098 4.242 4.340 -0.000 0.000 0.199 415 R C 0.394 176.740 176.300 0.076 0.000 0.998 415 R CA 1.841 58.000 56.100 0.098 0.000 0.874 415 R CB -1.262 29.100 30.300 0.102 0.000 0.721 415 R HN 0.470 nan 8.270 nan 0.000 0.473 416 D N 0.000 120.435 120.400 0.058 0.000 6.856 416 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 416 D CA 0.000 54.023 54.000 0.038 0.000 0.868 416 D CB 0.000 40.818 40.800 0.030 0.000 0.688 416 D HN 0.000 nan 8.370 nan 0.000 0.683