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 2gbw_1_A DATA FIRST_RESID 6 DATA SEQUENCE TLVDTVNASQ SRQVFWDEDV YALEIERIFS RAWLMLGHES LVPKPGDFIT DATA SEQUENCE TYMAEDKVIL SHQSDGTFRA FINSCSHRGN QICHADSGNA KAFVCNYHGW DATA SEQUENCE VFGQDGSLVD VPLESRCYHN SLDKQKLAAK SVRVETYKGF IFGCHDPEAP DATA SEQUENCE SLEDYLGEFR YYLDTIWEGA GGGMELLGPP MKSLLQCNWK VPAENFIGDG DATA SEQUENCE YHVGWTHAAA LSQIGGELAG LAGNRADIPF DDLGLQFTTR HGHGFGVIDN DATA SEQUENCE AAAGLHIKRE GWTKFLEDTR GEVRRKFGPE RERLYLGHWN CSIFPNCSFL DATA SEQUENCE YGTNTFKIWH PRGPHEIEVW TYTIVPRDAD PATKSMIQRE AIRTFGTAGT DATA SEQUENCE LESDDGENMS SATYINRGVI TRNGRMNSTM GVGYEGPHPV YPGIVGISFI DATA SEQUENCE GETSYRGFYR FWKEMIDAPD WASVKANDDT WDSVFPNRNF WNEKLNAAE 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 6 T HA 0.000 nan 4.350 nan 0.000 0.228 6 T C 0.000 174.709 174.700 0.016 0.000 1.109 6 T CA 0.000 62.109 62.100 0.015 0.000 1.349 6 T CB 0.000 68.872 68.868 0.006 0.000 0.612 7 L N 2.913 124.175 121.223 0.065 0.000 2.109 7 L HA 0.268 4.609 4.340 0.001 0.000 0.207 7 L C 0.536 177.401 176.870 -0.009 0.000 1.086 7 L CA 0.879 55.761 54.840 0.069 0.000 0.760 7 L CB 0.144 42.350 42.059 0.245 0.000 0.910 7 L HN 0.374 nan 8.230 nan 0.000 0.437 8 V N -0.595 119.356 119.914 0.061 0.000 2.638 8 V HA 0.257 4.378 4.120 0.001 0.000 0.306 8 V C -1.136 174.968 176.094 0.017 0.000 1.052 8 V CA -0.857 61.451 62.300 0.013 0.000 0.885 8 V CB 2.183 34.095 31.823 0.148 0.000 0.999 8 V HN -0.028 nan 8.190 nan 0.000 0.424 9 D N 2.947 123.329 120.400 -0.029 0.000 2.427 9 D HA 0.240 4.880 4.640 0.001 0.000 0.226 9 D C 1.160 177.441 176.300 -0.030 0.000 1.076 9 D CA 0.006 53.989 54.000 -0.030 0.000 0.849 9 D CB 2.018 42.787 40.800 -0.051 0.000 1.052 9 D HN 0.694 nan 8.370 nan 0.000 0.515 10 T N -0.004 114.538 114.554 -0.020 0.000 3.088 10 T HA -0.016 4.335 4.350 0.001 0.000 0.259 10 T C 1.806 176.448 174.700 -0.096 0.000 1.122 10 T CA 0.380 62.451 62.100 -0.049 0.000 1.095 10 T CB 0.049 68.890 68.868 -0.044 0.000 0.930 10 T HN 0.151 nan 8.240 nan 0.000 0.508 11 V N 2.540 122.408 119.914 -0.076 0.000 2.379 11 V HA -0.023 4.098 4.120 0.001 0.000 0.245 11 V C 2.113 178.157 176.094 -0.083 0.000 1.044 11 V CA 1.426 63.675 62.300 -0.085 0.000 1.036 11 V CB -0.480 31.305 31.823 -0.063 0.000 0.664 11 V HN 0.556 nan 8.190 nan 0.000 0.453 12 N N -0.286 118.371 118.700 -0.072 0.000 2.205 12 N HA 0.303 5.044 4.740 0.001 0.000 0.201 12 N C 0.823 176.290 175.510 -0.072 0.000 1.128 12 N CA 0.776 53.784 53.050 -0.069 0.000 0.867 12 N CB 0.862 39.311 38.487 -0.063 0.000 0.996 12 N HN 0.399 nan 8.380 nan 0.000 0.503 13 A N 1.326 124.105 122.820 -0.069 0.000 2.416 13 A HA -0.146 4.175 4.320 0.001 0.000 0.293 13 A C 0.343 177.878 177.584 -0.083 0.000 1.452 13 A CA 0.775 52.778 52.037 -0.056 0.000 0.738 13 A CB -2.066 16.911 19.000 -0.040 0.000 1.123 13 A HN 0.429 nan 8.150 nan 0.000 0.389 14 S N -0.841 114.797 115.700 -0.104 0.000 2.627 14 S HA 0.891 5.362 4.470 0.001 0.000 0.283 14 S C -0.856 173.621 174.600 -0.205 0.000 1.127 14 S CA -0.723 57.387 58.200 -0.150 0.000 0.863 14 S CB 1.910 65.033 63.200 -0.128 0.000 1.121 14 S HN 0.800 nan 8.310 nan 0.000 0.479 15 Q N 0.598 120.220 119.800 -0.296 0.000 2.423 15 Q HA 0.678 5.019 4.340 0.001 0.000 0.278 15 Q C -0.775 175.034 176.000 -0.319 0.000 1.097 15 Q CA -0.659 54.919 55.803 -0.376 0.000 0.809 15 Q CB 1.956 30.277 28.738 -0.695 0.000 1.391 15 Q HN 0.763 nan 8.270 nan 0.000 0.428 16 S N 0.297 115.839 115.700 -0.263 0.000 2.549 16 S HA 0.135 4.606 4.470 0.001 0.000 0.279 16 S C 0.613 175.047 174.600 -0.277 0.000 1.321 16 S CA -0.180 57.899 58.200 -0.202 0.000 1.054 16 S CB 0.476 63.612 63.200 -0.107 0.000 0.899 16 S HN 0.632 nan 8.310 nan 0.000 0.497 17 R N 2.160 122.521 120.500 -0.231 0.000 2.241 17 R HA -0.077 4.264 4.340 0.001 0.000 0.224 17 R C 1.999 178.237 176.300 -0.103 0.000 1.101 17 R CA 0.961 56.918 56.100 -0.239 0.000 0.995 17 R CB -0.114 30.092 30.300 -0.156 0.000 0.870 17 R HN 0.686 nan 8.270 nan 0.000 0.463 18 Q N 0.300 120.080 119.800 -0.033 0.000 2.248 18 Q HA -0.138 4.203 4.340 0.001 0.000 0.208 18 Q C 2.251 178.331 176.000 0.133 0.000 0.984 18 Q CA 1.728 57.592 55.803 0.103 0.000 0.875 18 Q CB -0.285 28.511 28.738 0.097 0.000 0.910 18 Q HN 0.427 nan 8.270 nan 0.000 0.433 19 V N -2.978 116.920 119.914 -0.028 0.000 2.759 19 V HA -0.111 4.010 4.120 0.001 0.000 0.256 19 V C 1.676 177.896 176.094 0.210 0.000 1.080 19 V CA 1.278 63.569 62.300 -0.015 0.000 1.101 19 V CB -0.741 30.845 31.823 -0.396 0.000 0.698 19 V HN 0.023 nan 8.190 nan 0.000 0.477 20 F N -1.219 118.761 119.950 0.051 0.000 2.789 20 F HA 0.295 4.823 4.527 0.001 0.000 0.300 20 F C 1.803 177.755 175.800 0.253 0.000 1.132 20 F CA -0.031 58.022 58.000 0.088 0.000 1.404 20 F CB -0.210 38.816 39.000 0.044 0.000 1.114 20 F HN 0.425 nan 8.300 nan 0.000 0.584 21 W N -0.120 121.319 121.300 0.233 0.000 4.359 21 W HA 0.102 4.763 4.660 0.001 0.000 0.200 21 W C -0.429 176.250 176.519 0.268 0.000 1.068 21 W CA -0.065 57.413 57.345 0.222 0.000 1.787 21 W CB -0.055 29.451 29.460 0.076 0.000 0.717 21 W HN -0.209 nan 8.180 nan 0.000 0.930 22 D N 2.052 122.616 120.400 0.274 0.000 2.390 22 D HA -0.057 4.584 4.640 0.001 0.000 0.249 22 D C 1.512 177.861 176.300 0.081 0.000 1.144 22 D CA 0.645 54.747 54.000 0.170 0.000 0.880 22 D CB 1.287 42.216 40.800 0.216 0.000 1.182 22 D HN 0.326 nan 8.370 nan 0.000 0.451 23 E N 2.310 122.506 120.200 -0.007 0.000 2.152 23 E HA -0.191 4.160 4.350 0.001 0.000 0.192 23 E C 0.543 177.210 176.600 0.112 0.000 0.983 23 E CA 0.715 57.107 56.400 -0.014 0.000 0.818 23 E CB 0.070 29.714 29.700 -0.095 0.000 0.758 23 E HN 0.460 nan 8.360 nan 0.000 0.467 24 D N 1.187 121.651 120.400 0.106 0.000 2.149 24 D HA -0.089 4.552 4.640 0.001 0.000 0.201 24 D C 2.235 178.620 176.300 0.141 0.000 0.972 24 D CA 0.988 55.053 54.000 0.108 0.000 0.835 24 D CB -0.015 40.836 40.800 0.085 0.000 0.966 24 D HN 0.118 nan 8.370 nan 0.000 0.476 25 V N 0.941 120.970 119.914 0.192 0.000 2.287 25 V HA -0.286 3.834 4.120 0.001 0.000 0.248 25 V C 2.273 178.552 176.094 0.309 0.000 1.053 25 V CA 1.463 63.921 62.300 0.264 0.000 1.027 25 V CB -0.717 31.316 31.823 0.351 0.000 0.646 25 V HN 0.168 nan 8.190 nan 0.000 0.447 26 Y N 1.402 121.820 120.300 0.196 0.000 2.165 26 Y HA -0.251 4.299 4.550 0.001 0.000 0.286 26 Y C 2.398 178.387 175.900 0.149 0.000 1.155 26 Y CA 1.604 59.830 58.100 0.211 0.000 1.164 26 Y CB -0.581 37.944 38.460 0.109 0.000 0.978 26 Y HN 0.153 nan 8.280 nan 0.000 0.513 27 A N 0.236 123.142 122.820 0.143 0.000 1.908 27 A HA -0.196 4.125 4.320 0.001 0.000 0.218 27 A C 2.317 179.875 177.584 -0.043 0.000 1.181 27 A CA 1.944 53.994 52.037 0.022 0.000 0.627 27 A CB -1.169 17.870 19.000 0.065 0.000 0.818 27 A HN 0.577 nan 8.150 nan 0.000 0.445 28 L N -0.849 120.368 121.223 -0.010 0.000 2.093 28 L HA -0.189 4.152 4.340 0.001 0.000 0.208 28 L C 2.611 179.412 176.870 -0.115 0.000 1.085 28 L CA 1.473 56.276 54.840 -0.063 0.000 0.755 28 L CB -0.488 41.535 42.059 -0.060 0.000 0.904 28 L HN 0.492 nan 8.230 nan 0.000 0.435 29 E N 0.026 120.190 120.200 -0.059 0.000 2.077 29 E HA -0.237 4.114 4.350 0.001 0.000 0.193 29 E C 2.226 178.804 176.600 -0.038 0.000 0.989 29 E CA 1.060 57.438 56.400 -0.035 0.000 0.800 29 E CB 0.013 29.872 29.700 0.266 0.000 0.746 29 E HN 0.357 nan 8.360 nan 0.000 0.452 30 I N 1.427 121.928 120.570 -0.115 0.000 2.208 30 I HA -0.258 3.913 4.170 0.001 0.000 0.245 30 I C 2.502 178.591 176.117 -0.047 0.000 1.097 30 I CA 1.497 62.751 61.300 -0.076 0.000 1.363 30 I CB -0.954 36.920 38.000 -0.209 0.000 1.051 30 I HN 0.234 nan 8.210 nan 0.000 0.413 31 E N 1.029 121.177 120.200 -0.087 0.000 2.076 31 E HA -0.145 4.206 4.350 0.001 0.000 0.190 31 E C 2.043 178.569 176.600 -0.124 0.000 0.979 31 E CA 0.842 57.188 56.400 -0.089 0.000 0.807 31 E CB 0.190 29.838 29.700 -0.087 0.000 0.761 31 E HN 0.421 nan 8.360 nan 0.000 0.454 32 R N -0.783 119.609 120.500 -0.180 0.000 2.365 32 R HA 0.286 4.627 4.340 0.001 0.000 0.223 32 R C 1.681 177.784 176.300 -0.328 0.000 0.899 32 R CA -0.002 55.940 56.100 -0.264 0.000 1.059 32 R CB 0.721 30.838 30.300 -0.304 0.000 1.086 32 R HN 0.241 nan 8.270 nan 0.000 0.522 33 I N -1.319 119.074 120.570 -0.296 0.000 3.534 33 I HA 0.043 4.214 4.170 0.001 0.000 0.251 33 I C 0.981 176.887 176.117 -0.352 0.000 1.136 33 I CA 0.252 61.327 61.300 -0.375 0.000 1.475 33 I CB 0.054 37.740 38.000 -0.524 0.000 1.526 33 I HN -0.102 nan 8.210 nan 0.000 0.454 34 F N 1.136 120.990 119.950 -0.160 0.000 2.325 34 F HA -0.050 4.478 4.527 0.002 0.000 0.299 34 F C 2.310 178.086 175.800 -0.041 0.000 1.090 34 F CA 0.895 58.812 58.000 -0.138 0.000 1.392 34 F CB -0.348 38.530 39.000 -0.203 0.000 1.053 34 F HN -0.058 nan 8.300 nan 0.000 0.521 35 S N -0.897 114.864 115.700 0.102 0.000 2.605 35 S HA 0.103 4.574 4.470 0.001 0.000 0.217 35 S C 1.823 176.446 174.600 0.038 0.000 0.958 35 S CA -0.081 58.188 58.200 0.115 0.000 0.919 35 S CB 0.142 63.364 63.200 0.036 0.000 0.780 35 S HN 0.345 nan 8.310 nan 0.000 0.507 36 R N 0.557 121.042 120.500 -0.025 0.000 2.350 36 R HA 0.413 4.754 4.340 0.001 0.000 0.199 36 R C 0.690 177.047 176.300 0.095 0.000 0.876 36 R CA 0.418 56.525 56.100 0.011 0.000 1.062 36 R CB 0.163 30.360 30.300 -0.172 0.000 1.263 36 R HN 0.279 nan 8.270 nan 0.000 0.641 37 A N 0.317 123.120 122.820 -0.028 0.000 2.246 37 A HA 0.393 4.714 4.320 0.001 0.000 0.291 37 A C -1.312 176.046 177.584 -0.375 0.000 1.103 37 A CA -0.558 51.426 52.037 -0.087 0.000 0.844 37 A CB 0.041 19.107 19.000 0.111 0.000 1.136 37 A HN 0.304 nan 8.150 nan 0.000 0.500 38 W N 0.109 121.078 121.300 -0.552 0.000 2.316 38 W HA 0.552 5.214 4.660 0.002 0.000 0.311 38 W C -0.399 176.196 176.519 0.127 0.000 1.217 38 W CA 0.062 57.253 57.345 -0.256 0.000 1.199 38 W CB 0.793 30.000 29.460 -0.420 0.000 1.202 38 W HN 0.351 nan 8.180 nan 0.000 0.528 39 L N 4.470 125.949 121.223 0.427 0.000 2.346 39 L HA 0.470 4.811 4.340 0.001 0.000 0.274 39 L C 0.036 177.097 176.870 0.317 0.000 1.007 39 L CA -1.532 53.523 54.840 0.359 0.000 0.818 39 L CB 1.535 43.702 42.059 0.181 0.000 1.284 39 L HN 0.293 nan 8.230 nan 0.000 0.424 40 M N 2.667 122.337 119.600 0.117 0.000 2.268 40 M HA 0.159 4.640 4.480 0.001 0.000 0.349 40 M C 0.025 176.279 176.300 -0.077 0.000 1.485 40 M CA 0.755 55.919 55.300 -0.226 0.000 1.094 40 M CB 0.296 32.820 32.600 -0.127 0.000 1.843 40 M HN 0.555 nan 8.290 nan 0.000 0.460 41 L N 3.924 125.069 121.223 -0.130 0.000 2.470 41 L HA 0.531 4.872 4.340 0.001 0.000 0.219 41 L C 1.214 178.035 176.870 -0.081 0.000 1.071 41 L CA 0.238 55.040 54.840 -0.063 0.000 0.850 41 L CB -0.277 41.750 42.059 -0.054 0.000 1.040 41 L HN 0.974 nan 8.230 nan 0.000 0.475 42 G N -1.580 107.114 108.800 -0.176 0.000 2.439 42 G HA2 0.060 4.021 3.960 0.001 0.000 0.186 42 G HA3 0.060 4.021 3.960 0.001 0.000 0.186 42 G C -1.787 172.896 174.900 -0.361 0.000 1.260 42 G CA -0.595 44.337 45.100 -0.279 0.000 1.020 42 G HN 0.056 nan 8.290 nan 0.000 0.470 43 H N 0.470 119.210 119.070 -0.549 0.000 3.064 43 H HA 0.324 4.881 4.556 0.001 0.000 0.352 43 H C 1.303 176.287 175.328 -0.574 0.000 1.260 43 H CA 0.505 56.125 56.048 -0.713 0.000 1.160 43 H CB 2.017 31.192 29.762 -0.978 0.000 1.879 43 H HN 0.770 nan 8.280 nan 0.000 0.544 44 E N 0.735 120.502 120.200 -0.721 0.000 2.171 44 E HA -0.194 4.157 4.350 0.001 0.000 0.197 44 E C 1.287 177.856 176.600 -0.052 0.000 0.997 44 E CA 1.811 57.978 56.400 -0.388 0.000 0.810 44 E CB 0.018 29.514 29.700 -0.340 0.000 0.738 44 E HN 0.462 nan 8.360 nan 0.000 0.467 45 S N 1.058 116.809 115.700 0.085 0.000 2.442 45 S HA -0.063 4.407 4.470 0.001 0.000 0.236 45 S C 1.975 176.523 174.600 -0.086 0.000 1.007 45 S CA 0.725 58.895 58.200 -0.049 0.000 0.965 45 S CB -0.427 62.624 63.200 -0.250 0.000 0.773 45 S HN 0.313 nan 8.310 nan 0.000 0.504 46 L N 1.226 122.387 121.223 -0.104 0.000 2.341 46 L HA 0.196 4.537 4.340 0.001 0.000 0.214 46 L C 0.679 177.544 176.870 -0.008 0.000 1.115 46 L CA 0.329 55.124 54.840 -0.074 0.000 0.820 46 L CB 0.047 42.045 42.059 -0.102 0.000 0.944 46 L HN 0.418 nan 8.230 nan 0.000 0.452 47 V N -4.441 115.505 119.914 0.053 0.000 2.575 47 V HA 0.289 4.410 4.120 0.001 0.000 0.281 47 V C -2.011 174.297 176.094 0.357 0.000 1.087 47 V CA -0.979 61.434 62.300 0.187 0.000 1.193 47 V CB 0.359 32.345 31.823 0.272 0.000 1.426 47 V HN -0.085 nan 8.190 nan 0.000 0.623 48 P HA 0.053 nan 4.420 nan 0.000 0.222 48 P C 0.460 177.866 177.300 0.177 0.000 1.153 48 P CA 0.987 64.218 63.100 0.219 0.000 0.798 48 P CB 0.633 32.374 31.700 0.068 0.000 0.796 49 K N 0.010 120.376 120.400 -0.057 0.000 2.208 49 K HA 0.471 4.792 4.320 0.001 0.000 0.247 49 K C -2.654 173.488 176.600 -0.763 0.000 0.953 49 K CA -3.009 53.064 56.287 -0.357 0.000 0.837 49 K CB 0.718 33.115 32.500 -0.172 0.000 1.131 49 K HN -0.218 nan 8.250 nan 0.000 0.431 50 P HA -0.147 nan 4.420 nan 0.000 0.259 50 P C 0.601 177.784 177.300 -0.195 0.000 1.163 50 P CA 1.370 64.171 63.100 -0.499 0.000 0.760 50 P CB 0.228 31.776 31.700 -0.254 0.000 0.762 51 G N 2.426 111.199 108.800 -0.045 0.000 2.241 51 G HA2 -0.207 3.754 3.960 0.001 0.000 0.244 51 G HA3 -0.207 3.754 3.960 0.001 0.000 0.244 51 G C 0.002 175.004 174.900 0.169 0.000 0.998 51 G CA -0.233 44.907 45.100 0.067 0.000 0.621 51 G HN 0.495 nan 8.290 nan 0.000 0.519 52 D N 0.962 121.425 120.400 0.106 0.000 2.443 52 D HA 0.541 5.182 4.640 0.001 0.000 0.239 52 D C 0.475 176.950 176.300 0.292 0.000 1.136 52 D CA 0.821 54.892 54.000 0.119 0.000 0.879 52 D CB 0.393 41.231 40.800 0.062 0.000 1.195 52 D HN 0.580 nan 8.370 nan 0.000 0.443 53 F N 0.032 120.091 119.950 0.182 0.000 2.643 53 F HA 0.672 5.200 4.527 0.001 0.000 0.314 53 F C -0.970 174.912 175.800 0.137 0.000 1.096 53 F CA -1.349 56.772 58.000 0.202 0.000 0.953 53 F CB 0.950 40.143 39.000 0.322 0.000 1.345 53 F HN 0.241 nan 8.300 nan 0.000 0.468 54 I N -0.205 120.541 120.570 0.292 0.000 2.828 54 I HA 0.779 4.950 4.170 0.001 0.000 0.302 54 I C -0.720 175.563 176.117 0.277 0.000 1.101 54 I CA -0.997 60.437 61.300 0.223 0.000 1.031 54 I CB 2.500 40.590 38.000 0.150 0.000 1.231 54 I HN 0.818 nan 8.210 nan 0.000 0.427 55 T N 0.848 115.543 114.554 0.235 0.000 2.837 55 T HA 0.656 5.007 4.350 0.001 0.000 0.285 55 T C -0.161 174.617 174.700 0.130 0.000 0.984 55 T CA -0.437 61.709 62.100 0.077 0.000 1.049 55 T CB 1.703 70.594 68.868 0.038 0.000 0.947 55 T HN 0.910 nan 8.240 nan 0.000 0.472 56 T N 0.834 115.331 114.554 -0.096 0.000 2.645 56 T HA 0.576 4.927 4.350 0.001 0.000 0.300 56 T C -1.929 172.429 174.700 -0.570 0.000 1.210 56 T CA -0.677 61.262 62.100 -0.269 0.000 1.034 56 T CB 0.857 69.633 68.868 -0.154 0.000 1.537 56 T HN 0.597 nan 8.240 nan 0.000 0.492 57 Y N 0.615 120.517 120.300 -0.663 0.000 2.468 57 Y HA 0.696 5.247 4.550 0.001 0.000 0.342 57 Y C 0.137 175.827 175.900 -0.349 0.000 1.021 57 Y CA -0.893 56.852 58.100 -0.592 0.000 1.079 57 Y CB 1.986 39.816 38.460 -1.049 0.000 1.226 57 Y HN 0.389 nan 8.280 nan 0.000 0.460 58 M N 3.312 122.919 119.600 0.012 0.000 2.023 58 M HA 0.489 4.970 4.480 0.001 0.000 0.325 58 M C 0.414 176.741 176.300 0.045 0.000 0.963 58 M CA -0.276 55.062 55.300 0.063 0.000 0.928 58 M CB 1.105 33.758 32.600 0.087 0.000 1.429 58 M HN 1.007 nan 8.290 nan 0.000 0.404 59 A N 2.749 125.527 122.820 -0.070 0.000 5.236 59 A HA -0.275 4.046 4.320 0.001 0.000 0.326 59 A C 1.017 178.471 177.584 -0.217 0.000 1.825 59 A CA 2.027 53.864 52.037 -0.332 0.000 0.710 59 A CB -0.859 17.799 19.000 -0.569 0.000 1.383 59 A HN 0.804 nan 8.150 nan 0.000 0.386 60 E N 0.811 120.925 120.200 -0.142 0.000 2.474 60 E HA 0.129 4.480 4.350 0.001 0.000 0.195 60 E C -0.660 175.995 176.600 0.092 0.000 1.039 60 E CA 0.119 56.482 56.400 -0.062 0.000 0.881 60 E CB 0.092 29.759 29.700 -0.054 0.000 0.970 60 E HN 0.594 nan 8.360 nan 0.000 0.486 61 D N 2.128 122.580 120.400 0.086 0.000 2.264 61 D HA 0.124 4.765 4.640 0.001 0.000 0.250 61 D C -0.158 176.164 176.300 0.037 0.000 1.113 61 D CA 0.098 54.133 54.000 0.059 0.000 0.871 61 D CB 1.226 42.036 40.800 0.018 0.000 1.167 61 D HN -0.122 nan 8.370 nan 0.000 0.447 62 K N 1.147 121.490 120.400 -0.095 0.000 2.276 62 K HA 0.349 4.669 4.320 0.001 0.000 0.283 62 K C -0.010 176.432 176.600 -0.263 0.000 1.044 62 K CA -0.592 55.501 56.287 -0.325 0.000 0.944 62 K CB 1.489 33.786 32.500 -0.338 0.000 1.012 62 K HN 0.257 nan 8.250 nan 0.000 0.472 63 V N 0.437 120.161 119.914 -0.317 0.000 2.914 63 V HA 0.606 4.727 4.120 0.001 0.000 0.314 63 V C -0.486 175.359 176.094 -0.416 0.000 1.084 63 V CA -1.120 60.992 62.300 -0.313 0.000 0.963 63 V CB 1.616 33.320 31.823 -0.199 0.000 1.025 63 V HN 0.602 nan 8.190 nan 0.000 0.432 64 I N 3.419 123.593 120.570 -0.661 0.000 2.377 64 I HA 0.525 4.696 4.170 0.001 0.000 0.293 64 I C -0.862 174.932 176.117 -0.539 0.000 0.987 64 I CA -0.645 60.208 61.300 -0.745 0.000 1.185 64 I CB 1.779 38.935 38.000 -1.407 0.000 1.341 64 I HN 0.598 nan 8.210 nan 0.000 0.455 65 L N 6.512 127.619 121.223 -0.193 0.000 2.313 65 L HA 0.622 4.962 4.340 0.001 0.000 0.283 65 L C -0.497 176.478 176.870 0.175 0.000 1.013 65 L CA 0.263 55.098 54.840 -0.008 0.000 0.816 65 L CB 1.680 43.754 42.059 0.026 0.000 1.236 65 L HN 0.561 nan 8.230 nan 0.000 0.419 66 S N 3.194 119.051 115.700 0.262 0.000 2.557 66 S HA 0.382 4.853 4.470 0.001 0.000 0.291 66 S C -1.122 173.714 174.600 0.392 0.000 1.116 66 S CA -0.565 57.869 58.200 0.391 0.000 0.992 66 S CB 0.460 63.926 63.200 0.443 0.000 1.028 66 S HN 0.859 nan 8.310 nan 0.000 0.484 67 H N 4.305 123.526 119.070 0.251 0.000 2.944 67 H HA 0.272 4.829 4.556 0.002 0.000 0.278 67 H C 0.512 175.810 175.328 -0.051 0.000 1.083 67 H CA -0.677 55.366 56.048 -0.008 0.000 1.479 67 H CB 0.396 30.188 29.762 0.049 0.000 1.486 67 H HN 0.536 nan 8.280 nan 0.000 0.493 68 Q N 2.535 122.390 119.800 0.092 0.000 2.500 68 Q HA 0.016 4.357 4.340 0.001 0.000 0.215 68 Q C 1.230 177.274 176.000 0.073 0.000 1.062 68 Q CA -0.091 55.760 55.803 0.079 0.000 0.996 68 Q CB 0.843 29.593 28.738 0.021 0.000 1.239 68 Q HN 0.707 nan 8.270 nan 0.000 0.578 69 S N 0.916 116.633 115.700 0.028 0.000 2.423 69 S HA -0.124 4.347 4.470 0.001 0.000 0.231 69 S C 0.847 175.444 174.600 -0.004 0.000 1.014 69 S CA 1.272 59.471 58.200 -0.001 0.000 0.965 69 S CB -0.076 63.120 63.200 -0.007 0.000 0.785 69 S HN 0.651 nan 8.310 nan 0.000 0.495 70 D N 0.221 120.617 120.400 -0.008 0.000 2.325 70 D HA 0.244 4.885 4.640 0.001 0.000 0.225 70 D C 1.154 177.431 176.300 -0.039 0.000 1.096 70 D CA 0.505 54.494 54.000 -0.018 0.000 0.844 70 D CB -0.590 40.199 40.800 -0.019 0.000 0.925 70 D HN 0.320 nan 8.370 nan 0.000 0.513 71 G N 0.252 109.029 108.800 -0.039 0.000 2.159 71 G HA2 -0.288 3.673 3.960 0.001 0.000 0.256 71 G HA3 -0.288 3.673 3.960 0.001 0.000 0.256 71 G C 0.527 175.141 174.900 -0.478 0.000 0.977 71 G CA 0.706 45.728 45.100 -0.131 0.000 0.652 71 G HN 0.777 nan 8.290 nan 0.000 0.531 72 T N -1.768 112.563 114.554 -0.371 0.000 2.824 72 T HA 0.750 5.101 4.350 0.001 0.000 0.277 72 T C -0.087 174.210 174.700 -0.672 0.000 0.975 72 T CA -0.582 61.299 62.100 -0.365 0.000 0.966 72 T CB 1.666 70.475 68.868 -0.098 0.000 1.054 72 T HN 0.406 nan 8.240 nan 0.000 0.533 73 F N -0.162 119.763 119.950 -0.041 0.000 2.532 73 F HA 0.715 5.243 4.527 0.001 0.000 0.321 73 F C 0.702 176.536 175.800 0.057 0.000 1.089 73 F CA -1.154 56.839 58.000 -0.011 0.000 0.926 73 F CB 2.086 41.050 39.000 -0.061 0.000 1.168 73 F HN 0.340 nan 8.300 nan 0.000 0.459 74 R N 1.289 121.948 120.500 0.264 0.000 2.836 74 R HA 0.928 5.269 4.340 0.001 0.000 0.269 74 R C -1.348 175.087 176.300 0.225 0.000 1.010 74 R CA -1.368 54.872 56.100 0.233 0.000 0.930 74 R CB 2.138 32.574 30.300 0.227 0.000 1.218 74 R HN 0.775 nan 8.270 nan 0.000 0.473 75 A N 1.112 124.053 122.820 0.200 0.000 2.556 75 A HA 0.880 5.201 4.320 0.001 0.000 0.294 75 A C -1.489 176.211 177.584 0.194 0.000 1.091 75 A CA -0.715 51.370 52.037 0.080 0.000 0.704 75 A CB 1.505 20.513 19.000 0.015 0.000 1.300 75 A HN 0.611 nan 8.150 nan 0.000 0.406 76 F N -0.546 119.381 119.950 -0.038 0.000 2.693 76 F HA 0.673 5.201 4.527 0.001 0.000 0.309 76 F C -1.043 174.694 175.800 -0.104 0.000 1.129 76 F CA -1.418 56.549 58.000 -0.055 0.000 0.948 76 F CB 0.690 39.650 39.000 -0.065 0.000 1.315 76 F HN 0.355 nan 8.300 nan 0.000 0.447 77 I N 2.606 123.247 120.570 0.119 0.000 2.618 77 I HA 0.002 4.173 4.170 0.001 0.000 0.284 77 I C 0.521 176.609 176.117 -0.048 0.000 1.146 77 I CA 0.207 61.503 61.300 -0.007 0.000 1.425 77 I CB 0.333 38.340 38.000 0.010 0.000 1.383 77 I HN 0.667 nan 8.210 nan 0.000 0.562 78 N N 4.644 123.232 118.700 -0.186 0.000 3.243 78 N HA 0.005 4.745 4.740 0.001 0.000 0.310 78 N C -0.700 174.698 175.510 -0.187 0.000 1.313 78 N CA 0.260 53.162 53.050 -0.247 0.000 1.204 78 N CB -0.003 38.284 38.487 -0.334 0.000 1.483 78 N HN 0.555 nan 8.380 nan 0.000 0.553 79 S N 0.669 116.276 115.700 -0.154 0.000 2.614 79 S HA 0.263 4.734 4.470 0.001 0.000 0.275 79 S C -0.566 173.944 174.600 -0.150 0.000 1.161 79 S CA -0.727 57.402 58.200 -0.120 0.000 0.969 79 S CB 0.293 63.451 63.200 -0.069 0.000 1.059 79 S HN 0.389 nan 8.310 nan 0.000 0.482 80 C N 4.364 123.605 119.300 -0.098 0.000 2.662 80 C HA 0.405 4.866 4.460 0.001 0.000 0.420 80 C C 2.056 177.112 174.990 0.109 0.000 1.314 80 C CA 0.471 59.491 59.018 0.002 0.000 1.963 80 C CB -0.219 27.618 27.740 0.163 0.000 2.686 80 C HN 1.008 nan 8.230 nan 0.000 0.609 81 S N 2.727 118.623 115.700 0.326 0.000 2.603 81 S HA -0.067 4.404 4.470 0.001 0.000 0.220 81 S C 1.293 176.022 174.600 0.215 0.000 0.967 81 S CA 0.854 59.243 58.200 0.314 0.000 0.920 81 S CB -0.576 62.909 63.200 0.475 0.000 0.773 81 S HN 0.981 nan 8.310 nan 0.000 0.529 82 H N 1.960 120.874 119.070 -0.259 0.000 2.283 82 H HA 0.227 4.784 4.556 0.001 0.000 0.323 82 H C 1.165 176.318 175.328 -0.292 0.000 1.088 82 H CA 0.377 56.006 56.048 -0.699 0.000 1.511 82 H CB 0.251 29.061 29.762 -1.588 0.000 1.473 82 H HN 0.150 nan 8.280 nan 0.000 0.564 83 R N -0.255 119.995 120.500 -0.416 0.000 2.472 83 R HA 0.195 4.536 4.340 0.001 0.000 0.279 83 R C 0.946 177.214 176.300 -0.053 0.000 0.953 83 R CA 0.560 56.499 56.100 -0.268 0.000 1.088 83 R CB 1.075 31.197 30.300 -0.296 0.000 1.197 83 R HN 0.755 nan 8.270 nan 0.000 0.536 84 G N 1.160 109.949 108.800 -0.017 0.000 2.194 84 G HA2 -0.293 3.667 3.960 0.001 0.000 0.236 84 G HA3 -0.293 3.667 3.960 0.001 0.000 0.236 84 G C 0.217 175.131 174.900 0.023 0.000 0.987 84 G CA 0.023 45.127 45.100 0.007 0.000 0.635 84 G HN 0.443 nan 8.290 nan 0.000 0.520 85 N N 0.924 119.667 118.700 0.071 0.000 2.353 85 N HA 0.067 4.808 4.740 0.001 0.000 0.248 85 N C 0.513 176.034 175.510 0.019 0.000 1.240 85 N CA 0.500 53.598 53.050 0.080 0.000 0.862 85 N CB 0.256 38.844 38.487 0.168 0.000 1.086 85 N HN 0.597 nan 8.380 nan 0.000 0.453 86 Q N 3.169 122.957 119.800 -0.020 0.000 2.286 86 Q HA -0.039 4.302 4.340 0.001 0.000 0.290 86 Q C 1.055 176.957 176.000 -0.163 0.000 1.049 86 Q CA 0.120 55.833 55.803 -0.150 0.000 0.923 86 Q CB 0.663 29.246 28.738 -0.259 0.000 1.183 86 Q HN 0.639 nan 8.270 nan 0.000 0.383 87 I N 2.318 122.779 120.570 -0.181 0.000 2.235 87 I HA -0.078 4.093 4.170 0.001 0.000 0.241 87 I C 0.876 176.947 176.117 -0.077 0.000 1.085 87 I CA 0.342 61.593 61.300 -0.082 0.000 1.378 87 I CB 0.269 38.188 38.000 -0.134 0.000 1.076 87 I HN 0.570 nan 8.210 nan 0.000 0.415 88 C N 0.749 119.915 119.300 -0.223 0.000 2.396 88 C HA 0.386 4.846 4.460 0.001 0.000 0.321 88 C C 1.226 176.074 174.990 -0.237 0.000 1.233 88 C CA -0.537 58.401 59.018 -0.133 0.000 1.440 88 C CB 0.379 28.022 27.740 -0.161 0.000 2.110 88 C HN 0.390 nan 8.230 nan 0.000 0.473 89 H N 2.892 122.004 119.070 0.070 0.000 2.575 89 H HA 0.209 4.766 4.556 0.001 0.000 0.267 89 H C 1.171 176.562 175.328 0.105 0.000 0.966 89 H CA 0.678 56.765 56.048 0.064 0.000 1.165 89 H CB 0.290 30.083 29.762 0.051 0.000 1.433 89 H HN 0.770 nan 8.280 nan 0.000 0.544 90 A N 1.187 124.169 122.820 0.269 0.000 2.440 90 A HA 0.041 4.361 4.320 0.001 0.000 0.251 90 A C 0.774 178.515 177.584 0.261 0.000 1.089 90 A CA -0.382 51.822 52.037 0.280 0.000 0.779 90 A CB 0.516 19.757 19.000 0.402 0.000 1.022 90 A HN 0.101 nan 8.150 nan 0.000 0.492 91 D N 0.347 120.829 120.400 0.136 0.000 2.144 91 D HA -0.029 4.611 4.640 0.001 0.000 0.199 91 D C 0.943 177.273 176.300 0.050 0.000 0.984 91 D CA 2.189 56.236 54.000 0.078 0.000 0.834 91 D CB 0.025 40.812 40.800 -0.021 0.000 0.955 91 D HN 0.728 nan 8.370 nan 0.000 0.465 92 S N -2.472 113.179 115.700 -0.081 0.000 2.587 92 S HA 0.689 5.160 4.470 0.001 0.000 0.269 92 S C -0.164 174.034 174.600 -0.670 0.000 1.154 92 S CA -0.211 57.727 58.200 -0.436 0.000 0.824 92 S CB 2.277 65.323 63.200 -0.258 0.000 1.118 92 S HN 0.359 nan 8.310 nan 0.000 0.462 93 G N 0.883 109.023 108.800 -1.100 0.000 2.344 93 G HA2 0.334 4.295 3.960 0.001 0.000 0.282 93 G HA3 0.334 4.295 3.960 0.001 0.000 0.282 93 G C -2.222 172.396 174.900 -0.470 0.000 1.281 93 G CA -0.492 44.227 45.100 -0.635 0.000 0.877 93 G HN 0.938 nan 8.290 nan 0.000 0.494 94 N N 0.191 118.885 118.700 -0.009 0.000 2.352 94 N HA 0.671 5.411 4.740 0.001 0.000 0.291 94 N C -0.975 174.665 175.510 0.216 0.000 1.040 94 N CA 0.217 53.343 53.050 0.127 0.000 0.864 94 N CB 1.958 40.458 38.487 0.022 0.000 1.440 94 N HN 1.389 nan 8.380 nan 0.000 0.483 95 A N 3.172 126.109 122.820 0.194 0.000 2.488 95 A HA 0.367 4.688 4.320 0.001 0.000 0.295 95 A C -0.008 177.458 177.584 -0.196 0.000 1.045 95 A CA -0.563 51.406 52.037 -0.113 0.000 0.703 95 A CB 1.314 19.995 19.000 -0.532 0.000 1.271 95 A HN 0.707 nan 8.150 nan 0.000 0.400 96 K N 0.415 120.710 120.400 -0.175 0.000 2.426 96 K HA 0.466 4.787 4.320 0.001 0.000 0.193 96 K C 0.455 176.956 176.600 -0.165 0.000 1.028 96 K CA 1.180 57.395 56.287 -0.120 0.000 1.047 96 K CB 0.542 33.002 32.500 -0.067 0.000 0.821 96 K HN 0.906 nan 8.250 nan 0.000 0.513 97 A N 0.123 122.746 122.820 -0.329 0.000 2.608 97 A HA 0.653 4.974 4.320 0.001 0.000 0.292 97 A C -1.787 175.478 177.584 -0.531 0.000 1.066 97 A CA -0.807 51.064 52.037 -0.277 0.000 0.676 97 A CB 0.776 19.726 19.000 -0.083 0.000 1.277 97 A HN 0.038 nan 8.150 nan 0.000 0.413 98 F N 0.303 120.314 119.950 0.102 0.000 2.520 98 F HA 0.618 5.146 4.527 0.001 0.000 0.322 98 F C -0.029 175.893 175.800 0.202 0.000 1.103 98 F CA -0.734 57.329 58.000 0.105 0.000 0.926 98 F CB 2.470 41.536 39.000 0.111 0.000 1.154 98 F HN 0.304 nan 8.300 nan 0.000 0.453 99 V N 2.314 122.417 119.914 0.316 0.000 2.448 99 V HA 0.235 4.356 4.120 0.001 0.000 0.295 99 V C -0.353 175.932 176.094 0.317 0.000 1.025 99 V CA -1.089 61.384 62.300 0.289 0.000 0.859 99 V CB 1.696 33.624 31.823 0.175 0.000 0.988 99 V HN 0.987 nan 8.190 nan 0.000 0.431 100 C N 5.320 124.856 119.300 0.393 0.000 2.629 100 C HA 0.183 4.644 4.460 0.001 0.000 0.410 100 C C 1.838 176.987 174.990 0.265 0.000 1.339 100 C CA -0.311 58.910 59.018 0.337 0.000 1.810 100 C CB -0.644 27.351 27.740 0.424 0.000 2.549 100 C HN 0.920 nan 8.230 nan 0.000 0.589 101 N N 2.769 121.602 118.700 0.223 0.000 2.459 101 N HA -0.084 4.657 4.740 0.001 0.000 0.181 101 N C 1.186 176.796 175.510 0.166 0.000 1.046 101 N CA 0.856 54.010 53.050 0.174 0.000 0.904 101 N CB -0.281 38.296 38.487 0.149 0.000 0.964 101 N HN 0.901 nan 8.380 nan 0.000 0.444 102 Y N 1.121 121.421 120.300 0.001 0.000 2.138 102 Y HA -0.086 4.464 4.550 0.001 0.000 0.286 102 Y C 1.161 176.837 175.900 -0.372 0.000 1.115 102 Y CA 1.706 59.681 58.100 -0.208 0.000 1.105 102 Y CB -0.432 37.899 38.460 -0.215 0.000 1.004 102 Y HN 0.158 nan 8.280 nan 0.000 0.494 103 H N -1.669 117.498 119.070 0.161 0.000 3.058 103 H HA 0.371 4.927 4.556 0.001 0.000 0.266 103 H C 1.354 176.779 175.328 0.161 0.000 1.135 103 H CA 0.379 56.472 56.048 0.075 0.000 1.174 103 H CB 0.641 30.359 29.762 -0.074 0.000 1.581 103 H HN 0.374 nan 8.280 nan 0.000 0.553 104 G N 0.128 109.099 108.800 0.286 0.000 2.132 104 G HA2 -0.262 3.699 3.960 0.001 0.000 0.234 104 G HA3 -0.262 3.699 3.960 0.001 0.000 0.234 104 G C -0.421 174.677 174.900 0.331 0.000 0.989 104 G CA -0.328 44.933 45.100 0.268 0.000 0.676 104 G HN 0.163 nan 8.290 nan 0.000 0.522 105 W N -0.182 121.153 121.300 0.057 0.000 2.257 105 W HA 0.453 5.114 4.660 0.001 0.000 0.337 105 W C 0.584 177.006 176.519 -0.162 0.000 1.321 105 W CA -0.420 56.856 57.345 -0.116 0.000 1.267 105 W CB 0.484 29.864 29.460 -0.134 0.000 1.187 105 W HN 0.162 nan 8.180 nan 0.000 0.565 106 V N 5.583 125.378 119.914 -0.199 0.000 2.417 106 V HA 0.405 4.526 4.120 0.001 0.000 0.291 106 V C -0.488 175.379 176.094 -0.379 0.000 1.024 106 V CA -1.013 61.205 62.300 -0.137 0.000 0.861 106 V CB 0.600 32.366 31.823 -0.096 0.000 0.985 106 V HN 0.166 nan 8.190 nan 0.000 0.436 107 F N 2.108 122.117 119.950 0.098 0.000 2.469 107 F HA 0.743 5.271 4.527 0.001 0.000 0.332 107 F C 1.031 176.876 175.800 0.076 0.000 1.103 107 F CA -0.376 57.650 58.000 0.042 0.000 0.979 107 F CB 1.773 40.797 39.000 0.041 0.000 1.137 107 F HN 0.613 nan 8.300 nan 0.000 0.463 108 G N 0.947 109.825 108.800 0.130 0.000 2.621 108 G HA2 0.152 4.113 3.960 0.001 0.000 0.271 108 G HA3 0.152 4.113 3.960 0.001 0.000 0.271 108 G C 0.341 175.375 174.900 0.224 0.000 1.236 108 G CA -0.445 44.721 45.100 0.109 0.000 0.958 108 G HN 0.743 nan 8.290 nan 0.000 0.512 109 Q N -0.522 119.421 119.800 0.238 0.000 2.437 109 Q HA -0.077 4.264 4.340 0.001 0.000 0.210 109 Q C 1.034 177.264 176.000 0.383 0.000 0.972 109 Q CA 1.236 57.285 55.803 0.411 0.000 0.903 109 Q CB 0.171 29.075 28.738 0.277 0.000 0.967 109 Q HN 0.727 nan 8.270 nan 0.000 0.486 110 D N -1.892 118.596 120.400 0.147 0.000 2.395 110 D HA 0.099 4.740 4.640 0.001 0.000 0.213 110 D C 1.054 177.181 176.300 -0.287 0.000 1.110 110 D CA 0.559 54.612 54.000 0.089 0.000 0.835 110 D CB 0.434 41.274 40.800 0.067 0.000 0.965 110 D HN 0.185 nan 8.370 nan 0.000 0.505 111 G N -0.011 108.272 108.800 -0.862 0.000 2.175 111 G HA2 -0.271 3.689 3.960 0.001 0.000 0.244 111 G HA3 -0.271 3.689 3.960 0.001 0.000 0.244 111 G C 0.319 175.025 174.900 -0.324 0.000 0.982 111 G CA 0.139 44.438 45.100 -1.336 0.000 0.641 111 G HN 0.385 nan 8.290 nan 0.000 0.527 112 S N 0.063 115.674 115.700 -0.149 0.000 2.549 112 S HA 0.375 4.846 4.470 0.001 0.000 0.286 112 S C 0.397 174.978 174.600 -0.032 0.000 1.314 112 S CA -0.115 58.054 58.200 -0.052 0.000 1.062 112 S CB 1.297 64.460 63.200 -0.063 0.000 0.865 112 S HN 0.881 nan 8.310 nan 0.000 0.498 113 L N 6.087 127.251 121.223 -0.097 0.000 2.325 113 L HA 0.256 4.597 4.340 0.001 0.000 0.284 113 L C 0.774 177.436 176.870 -0.346 0.000 1.089 113 L CA 0.266 54.877 54.840 -0.383 0.000 0.836 113 L CB 0.553 42.367 42.059 -0.409 0.000 1.184 113 L HN 0.566 nan 8.230 nan 0.000 0.444 114 V N 0.500 120.208 119.914 -0.343 0.000 3.621 114 V HA 0.479 4.600 4.120 0.001 0.000 0.263 114 V C 0.148 176.080 176.094 -0.270 0.000 1.272 114 V CA 0.489 62.642 62.300 -0.244 0.000 1.080 114 V CB 0.204 31.936 31.823 -0.153 0.000 0.816 114 V HN 0.783 nan 8.190 nan 0.000 0.451 115 D N -0.462 119.726 120.400 -0.353 0.000 2.706 115 D HA 0.536 5.177 4.640 0.001 0.000 0.225 115 D C -1.276 174.760 176.300 -0.440 0.000 1.241 115 D CA 0.240 54.045 54.000 -0.325 0.000 0.784 115 D CB 2.544 43.223 40.800 -0.201 0.000 1.521 115 D HN 0.448 nan 8.370 nan 0.000 0.461 116 V N 0.195 119.845 119.914 -0.440 0.000 2.760 116 V HA 0.828 4.949 4.120 0.001 0.000 0.309 116 V C -2.741 173.254 176.094 -0.165 0.000 1.077 116 V CA -2.118 59.906 62.300 -0.459 0.000 0.910 116 V CB 1.719 32.989 31.823 -0.922 0.000 1.008 116 V HN 0.416 nan 8.190 nan 0.000 0.424 117 P HA 0.340 nan 4.420 nan 0.000 0.265 117 P C 0.394 177.740 177.300 0.077 0.000 1.193 117 P CA 0.265 63.395 63.100 0.049 0.000 0.765 117 P CB 0.155 31.922 31.700 0.111 0.000 0.823 118 L N 0.243 121.487 121.223 0.034 0.000 3.865 118 L HA -0.265 4.075 4.340 0.001 0.000 0.408 118 L C 1.561 178.467 176.870 0.061 0.000 1.209 118 L CA 0.419 55.275 54.840 0.025 0.000 0.940 118 L CB -1.679 40.388 42.059 0.012 0.000 1.971 118 L HN 0.476 nan 8.230 nan 0.000 0.899 119 E N 0.409 120.625 120.200 0.027 0.000 2.085 119 E HA -0.203 4.148 4.350 0.001 0.000 0.194 119 E C 1.840 178.441 176.600 0.001 0.000 0.994 119 E CA 1.878 58.282 56.400 0.007 0.000 0.801 119 E CB 0.149 29.766 29.700 -0.138 0.000 0.743 119 E HN 0.690 nan 8.360 nan 0.000 0.453 120 S N 0.224 115.902 115.700 -0.037 0.000 2.335 120 S HA -0.039 4.432 4.470 0.001 0.000 0.217 120 S C 1.867 176.400 174.600 -0.112 0.000 1.032 120 S CA 0.473 58.644 58.200 -0.048 0.000 0.985 120 S CB -0.186 62.993 63.200 -0.035 0.000 0.896 120 S HN 0.217 nan 8.310 nan 0.000 0.445 121 R N 0.553 120.986 120.500 -0.111 0.000 2.080 121 R HA -0.045 4.296 4.340 0.001 0.000 0.236 121 R C 2.270 178.371 176.300 -0.331 0.000 1.137 121 R CA 1.537 57.547 56.100 -0.150 0.000 0.943 121 R CB -1.037 29.210 30.300 -0.087 0.000 0.846 121 R HN 0.428 nan 8.270 nan 0.000 0.431 122 C N -2.407 116.700 119.300 -0.322 0.000 2.689 122 C HA 0.193 4.654 4.460 0.001 0.000 0.336 122 C C 2.052 176.707 174.990 -0.559 0.000 1.304 122 C CA -0.541 58.219 59.018 -0.430 0.000 1.860 122 C CB -0.566 26.999 27.740 -0.292 0.000 2.405 122 C HN 0.391 nan 8.230 nan 0.000 0.557 123 Y N 0.168 120.287 120.300 -0.301 0.000 2.500 123 Y HA 0.092 4.643 4.550 0.002 0.000 0.270 123 Y C 1.181 177.030 175.900 -0.084 0.000 1.134 123 Y CA 0.670 58.678 58.100 -0.154 0.000 1.293 123 Y CB -0.529 37.864 38.460 -0.112 0.000 1.063 123 Y HN 0.411 nan 8.280 nan 0.000 0.534 124 H N -0.666 118.457 119.070 0.087 0.000 2.820 124 H HA -0.248 4.309 4.556 0.001 0.000 0.295 124 H C 0.189 175.537 175.328 0.032 0.000 1.187 124 H CA 0.773 56.845 56.048 0.040 0.000 1.144 124 H CB -2.303 27.474 29.762 0.025 0.000 1.354 124 H HN 0.602 nan 8.280 nan 0.000 0.395 125 N N -1.006 117.740 118.700 0.077 0.000 2.696 125 N HA -0.207 4.534 4.740 0.001 0.000 0.249 125 N C -0.028 175.496 175.510 0.022 0.000 1.090 125 N CA 0.829 53.889 53.050 0.017 0.000 0.716 125 N CB -0.573 37.915 38.487 0.001 0.000 1.020 125 N HN 0.386 nan 8.380 nan 0.000 0.548 126 S N -0.379 115.365 115.700 0.074 0.000 2.593 126 S HA 0.181 4.652 4.470 0.001 0.000 0.236 126 S C -0.030 174.591 174.600 0.035 0.000 0.991 126 S CA -0.517 57.720 58.200 0.062 0.000 0.963 126 S CB 0.552 63.817 63.200 0.108 0.000 0.865 126 S HN 0.292 nan 8.310 nan 0.000 0.488 127 L N 3.130 124.327 121.223 -0.044 0.000 2.281 127 L HA 0.422 4.762 4.340 0.001 0.000 0.285 127 L C -0.313 176.454 176.870 -0.171 0.000 1.074 127 L CA -0.075 54.675 54.840 -0.151 0.000 0.817 127 L CB 0.631 42.388 42.059 -0.503 0.000 1.168 127 L HN -0.112 nan 8.230 nan 0.000 0.434 128 D N 4.373 124.708 120.400 -0.108 0.000 2.508 128 D HA 0.042 4.683 4.640 0.001 0.000 0.224 128 D C 0.889 177.107 176.300 -0.136 0.000 1.171 128 D CA 0.149 54.090 54.000 -0.098 0.000 1.006 128 D CB 0.495 41.268 40.800 -0.045 0.000 1.073 128 D HN 0.574 nan 8.370 nan 0.000 0.513 129 K N 1.243 121.518 120.400 -0.209 0.000 2.209 129 K HA -0.154 4.167 4.320 0.001 0.000 0.204 129 K C 1.596 178.103 176.600 -0.155 0.000 1.048 129 K CA 0.873 57.004 56.287 -0.260 0.000 0.940 129 K CB 0.257 32.552 32.500 -0.342 0.000 0.729 129 K HN 0.494 nan 8.250 nan 0.000 0.451 130 Q N 0.527 120.261 119.800 -0.109 0.000 2.369 130 Q HA -0.075 4.266 4.340 0.001 0.000 0.206 130 Q C 1.136 177.115 176.000 -0.035 0.000 0.963 130 Q CA 0.907 56.669 55.803 -0.067 0.000 0.894 130 Q CB 0.125 28.830 28.738 -0.055 0.000 0.965 130 Q HN 0.234 nan 8.270 nan 0.000 0.475 131 K N 0.046 120.430 120.400 -0.028 0.000 2.404 131 K HA 0.121 4.442 4.320 0.001 0.000 0.194 131 K C 0.696 177.318 176.600 0.036 0.000 1.023 131 K CA 0.189 56.479 56.287 0.005 0.000 1.094 131 K CB 0.588 33.093 32.500 0.009 0.000 0.841 131 K HN 0.113 nan 8.250 nan 0.000 0.523 132 L N 0.708 121.953 121.223 0.036 0.000 3.168 132 L HA 0.300 4.640 4.340 0.001 0.000 0.277 132 L C 0.132 177.106 176.870 0.173 0.000 1.245 132 L CA -0.570 54.343 54.840 0.120 0.000 1.035 132 L CB 0.698 42.829 42.059 0.120 0.000 1.399 132 L HN -0.027 nan 8.230 nan 0.000 0.580 133 A N 0.943 123.823 122.820 0.101 0.000 2.531 133 A HA 0.515 4.836 4.320 0.001 0.000 0.236 133 A C 0.921 178.579 177.584 0.124 0.000 1.062 133 A CA 0.215 52.319 52.037 0.111 0.000 0.760 133 A CB 0.239 19.252 19.000 0.021 0.000 0.995 133 A HN 0.358 nan 8.150 nan 0.000 0.501 134 A N 1.875 124.736 122.820 0.067 0.000 2.531 134 A HA 0.393 4.714 4.320 0.001 0.000 0.236 134 A C 0.662 178.250 177.584 0.006 0.000 1.062 134 A CA 0.099 52.093 52.037 -0.072 0.000 0.760 134 A CB -0.117 18.705 19.000 -0.296 0.000 0.995 134 A HN 0.882 nan 8.150 nan 0.000 0.501 135 K N 2.197 122.628 120.400 0.052 0.000 2.416 135 K HA 0.194 4.515 4.320 0.001 0.000 0.283 135 K C 0.526 177.199 176.600 0.122 0.000 1.037 135 K CA 0.776 57.104 56.287 0.068 0.000 0.995 135 K CB 0.133 32.660 32.500 0.044 0.000 0.938 135 K HN 0.788 nan 8.250 nan 0.000 0.475 136 S N 2.125 117.890 115.700 0.110 0.000 2.585 136 S HA 0.407 4.878 4.470 0.001 0.000 0.273 136 S C -0.177 174.508 174.600 0.142 0.000 1.339 136 S CA -0.932 57.354 58.200 0.143 0.000 1.028 136 S CB 1.167 64.430 63.200 0.105 0.000 0.906 136 S HN 0.279 nan 8.310 nan 0.000 0.528 137 V N 2.463 122.461 119.914 0.141 0.000 2.604 137 V HA 0.433 4.554 4.120 0.001 0.000 0.305 137 V C 0.260 176.399 176.094 0.075 0.000 1.043 137 V CA -1.002 61.355 62.300 0.095 0.000 0.888 137 V CB 1.693 33.548 31.823 0.054 0.000 0.995 137 V HN 0.912 nan 8.190 nan 0.000 0.429 138 R N 2.378 122.895 120.500 0.029 0.000 2.522 138 R HA 0.432 4.773 4.340 0.001 0.000 0.284 138 R C -0.877 175.547 176.300 0.206 0.000 1.032 138 R CA -0.058 56.099 56.100 0.095 0.000 1.049 138 R CB 0.679 30.996 30.300 0.029 0.000 0.956 138 R HN 0.480 nan 8.270 nan 0.000 0.422 139 V N 3.341 123.421 119.914 0.277 0.000 2.531 139 V HA 0.298 4.419 4.120 0.001 0.000 0.301 139 V C -0.262 175.999 176.094 0.278 0.000 1.034 139 V CA -0.628 61.856 62.300 0.306 0.000 0.865 139 V CB 1.826 33.776 31.823 0.212 0.000 0.995 139 V HN 0.784 nan 8.190 nan 0.000 0.424 140 E N 1.766 122.098 120.200 0.220 0.000 2.369 140 E HA 0.699 5.050 4.350 0.001 0.000 0.270 140 E C -0.934 175.680 176.600 0.023 0.000 0.909 140 E CA -0.785 55.608 56.400 -0.011 0.000 0.775 140 E CB 2.782 32.265 29.700 -0.361 0.000 1.270 140 E HN 0.773 nan 8.360 nan 0.000 0.445 141 T N -1.229 113.335 114.554 0.017 0.000 2.887 141 T HA 0.539 4.889 4.350 0.001 0.000 0.288 141 T C -1.297 173.486 174.700 0.139 0.000 1.021 141 T CA -0.698 61.431 62.100 0.049 0.000 1.000 141 T CB 1.061 69.888 68.868 -0.068 0.000 1.034 141 T HN 0.485 nan 8.240 nan 0.000 0.467 142 Y N 2.205 122.559 120.300 0.091 0.000 2.322 142 Y HA 0.389 4.940 4.550 0.001 0.000 0.324 142 Y C 0.070 176.092 175.900 0.204 0.000 1.027 142 Y CA -0.974 57.213 58.100 0.144 0.000 1.179 142 Y CB 1.016 39.591 38.460 0.192 0.000 1.136 142 Y HN 0.849 nan 8.280 nan 0.000 0.449 143 K N 4.334 124.549 120.400 -0.309 0.000 3.035 143 K HA -0.240 4.081 4.320 0.001 0.000 0.262 143 K C 0.945 177.428 176.600 -0.195 0.000 1.024 143 K CA 1.204 57.370 56.287 -0.201 0.000 0.748 143 K CB -1.756 30.701 32.500 -0.071 0.000 1.247 143 K HN 1.453 nan 8.250 nan 0.000 0.482 144 G N -0.916 107.674 108.800 -0.350 0.000 2.241 144 G HA2 -0.334 3.627 3.960 0.001 0.000 0.244 144 G HA3 -0.334 3.627 3.960 0.001 0.000 0.244 144 G C 0.149 174.243 174.900 -1.345 0.000 0.998 144 G CA 0.213 44.799 45.100 -0.856 0.000 0.621 144 G HN 0.224 nan 8.290 nan 0.000 0.519 145 F N 1.282 120.809 119.950 -0.706 0.000 2.443 145 F HA 0.644 5.172 4.527 0.001 0.000 0.353 145 F C 1.057 176.691 175.800 -0.276 0.000 1.101 145 F CA -0.405 57.284 58.000 -0.519 0.000 1.226 145 F CB 0.845 39.600 39.000 -0.409 0.000 1.140 145 F HN -0.030 nan 8.300 nan 0.000 0.557 146 I N 4.116 124.545 120.570 -0.234 0.000 2.362 146 I HA 0.341 4.512 4.170 0.001 0.000 0.289 146 I C -0.899 175.148 176.117 -0.117 0.000 0.994 146 I CA -0.453 60.742 61.300 -0.174 0.000 1.158 146 I CB 1.001 38.785 38.000 -0.360 0.000 1.315 146 I HN 0.353 nan 8.210 nan 0.000 0.451 147 F N 3.107 123.103 119.950 0.076 0.000 2.538 147 F HA 0.788 5.316 4.527 0.001 0.000 0.325 147 F C 0.735 176.727 175.800 0.320 0.000 1.066 147 F CA -0.648 57.483 58.000 0.219 0.000 0.946 147 F CB 2.104 41.276 39.000 0.285 0.000 1.199 147 F HN 0.362 nan 8.300 nan 0.000 0.473 148 G N -0.342 108.736 108.800 0.463 0.000 2.498 148 G HA2 0.584 4.545 3.960 0.001 0.000 0.312 148 G HA3 0.584 4.545 3.960 0.001 0.000 0.312 148 G C -2.087 172.753 174.900 -0.100 0.000 1.230 148 G CA -0.797 44.438 45.100 0.224 0.000 0.968 148 G HN 0.878 nan 8.290 nan 0.000 0.481 149 C N 0.474 119.479 119.300 -0.491 0.000 2.891 149 C HA 0.590 5.051 4.460 0.001 0.000 0.342 149 C C 0.431 175.088 174.990 -0.555 0.000 1.126 149 C CA -0.702 57.822 59.018 -0.824 0.000 1.322 149 C CB 0.675 27.349 27.740 -1.777 0.000 1.763 149 C HN 0.922 nan 8.230 nan 0.000 0.491 150 H N 1.065 119.988 119.070 -0.244 0.000 2.553 150 H HA 0.165 4.722 4.556 0.002 0.000 0.265 150 H C 0.016 175.269 175.328 -0.125 0.000 0.964 150 H CA 0.570 56.535 56.048 -0.138 0.000 1.156 150 H CB 0.261 29.973 29.762 -0.083 0.000 1.411 150 H HN 0.641 nan 8.280 nan 0.000 0.558 151 D N 1.326 121.677 120.400 -0.081 0.000 2.373 151 D HA 0.116 4.757 4.640 0.001 0.000 0.227 151 D C -1.734 174.533 176.300 -0.055 0.000 1.091 151 D CA -2.269 51.719 54.000 -0.021 0.000 0.840 151 D CB 1.960 42.795 40.800 0.058 0.000 1.060 151 D HN -0.013 nan 8.370 nan 0.000 0.502 152 P HA -0.098 nan 4.420 nan 0.000 0.219 152 P C 0.673 177.967 177.300 -0.011 0.000 1.146 152 P CA 0.839 63.933 63.100 -0.010 0.000 0.808 152 P CB 0.473 32.181 31.700 0.013 0.000 0.779 153 E N -0.880 119.330 120.200 0.016 0.000 2.489 153 E HA 0.165 4.516 4.350 0.001 0.000 0.193 153 E C 0.871 177.405 176.600 -0.111 0.000 1.057 153 E CA -0.091 56.321 56.400 0.021 0.000 0.866 153 E CB -0.396 29.371 29.700 0.112 0.000 0.916 153 E HN 0.142 nan 8.360 nan 0.000 0.500 154 A N 3.751 126.428 122.820 -0.238 0.000 2.498 154 A HA 0.215 4.536 4.320 0.001 0.000 0.239 154 A C -1.895 175.411 177.584 -0.463 0.000 1.068 154 A CA -0.888 50.723 52.037 -0.710 0.000 0.766 154 A CB -0.264 18.410 19.000 -0.544 0.000 1.003 154 A HN -0.072 nan 8.150 nan 0.000 0.497 155 P HA 0.111 nan 4.420 nan 0.000 0.271 155 P C 0.264 177.570 177.300 0.011 0.000 1.244 155 P CA -0.046 62.896 63.100 -0.264 0.000 0.793 155 P CB 0.299 31.795 31.700 -0.339 0.000 0.984 156 S N 0.303 115.996 115.700 -0.012 0.000 2.569 156 S HA -0.076 4.395 4.470 0.001 0.000 0.274 156 S C 1.354 175.779 174.600 -0.293 0.000 1.353 156 S CA -0.468 57.692 58.200 -0.067 0.000 1.023 156 S CB -0.276 62.869 63.200 -0.092 0.000 0.876 156 S HN 0.449 nan 8.310 nan 0.000 0.540 157 L N 1.110 121.846 121.223 -0.811 0.000 2.079 157 L HA -0.075 4.266 4.340 0.001 0.000 0.210 157 L C 2.463 178.992 176.870 -0.569 0.000 1.081 157 L CA 1.876 56.002 54.840 -1.190 0.000 0.752 157 L CB -1.160 40.078 42.059 -1.368 0.000 0.896 157 L HN 0.872 nan 8.230 nan 0.000 0.433 158 E N -0.433 119.545 120.200 -0.371 0.000 2.085 158 E HA -0.234 4.117 4.350 0.001 0.000 0.194 158 E C 1.728 178.224 176.600 -0.173 0.000 0.994 158 E CA 1.531 57.773 56.400 -0.263 0.000 0.801 158 E CB -0.187 29.448 29.700 -0.109 0.000 0.743 158 E HN 0.606 nan 8.360 nan 0.000 0.453 159 D N -0.298 120.038 120.400 -0.107 0.000 2.224 159 D HA -0.128 4.513 4.640 0.001 0.000 0.205 159 D C 1.647 177.972 176.300 0.042 0.000 0.965 159 D CA 0.659 54.647 54.000 -0.019 0.000 0.852 159 D CB -0.241 40.552 40.800 -0.011 0.000 0.947 159 D HN 0.218 nan 8.370 nan 0.000 0.494 160 Y N 1.176 121.367 120.300 -0.182 0.000 2.220 160 Y HA -0.052 4.500 4.550 0.002 0.000 0.291 160 Y C 2.048 177.979 175.900 0.050 0.000 1.129 160 Y CA 1.106 59.092 58.100 -0.190 0.000 1.161 160 Y CB -0.239 38.167 38.460 -0.089 0.000 0.997 160 Y HN -0.116 nan 8.280 nan 0.000 0.522 161 L N -0.457 120.704 121.223 -0.103 0.000 2.056 161 L HA -0.017 4.324 4.340 0.001 0.000 0.207 161 L C 2.173 179.052 176.870 0.014 0.000 1.078 161 L CA 0.913 55.648 54.840 -0.174 0.000 0.749 161 L CB -1.370 40.454 42.059 -0.391 0.000 0.901 161 L HN 0.522 nan 8.230 nan 0.000 0.433 162 G N 1.208 110.000 108.800 -0.014 0.000 2.651 162 G HA2 -0.440 3.521 3.960 0.001 0.000 0.315 162 G HA3 -0.440 3.521 3.960 0.001 0.000 0.315 162 G C 0.838 175.755 174.900 0.027 0.000 1.258 162 G CA 0.739 45.850 45.100 0.019 0.000 1.002 162 G HN 0.575 nan 8.290 nan 0.000 0.551 163 E N -0.083 120.139 120.200 0.037 0.000 2.338 163 E HA -0.008 4.343 4.350 0.001 0.000 0.197 163 E C 2.184 178.891 176.600 0.179 0.000 1.007 163 E CA 1.340 57.782 56.400 0.071 0.000 0.849 163 E CB -0.129 29.606 29.700 0.058 0.000 0.774 163 E HN 0.458 nan 8.360 nan 0.000 0.506 164 F N 2.529 122.521 119.950 0.070 0.000 2.333 164 F HA -0.017 4.511 4.527 0.002 0.000 0.300 164 F C 2.030 177.856 175.800 0.044 0.000 1.083 164 F CA 0.912 59.006 58.000 0.156 0.000 1.395 164 F CB -0.014 39.034 39.000 0.081 0.000 1.056 164 F HN -0.127 nan 8.300 nan 0.000 0.529 165 R N -1.496 118.956 120.500 -0.080 0.000 2.152 165 R HA -0.247 4.094 4.340 0.001 0.000 0.232 165 R C 2.052 178.247 176.300 -0.176 0.000 1.117 165 R CA 1.596 57.593 56.100 -0.171 0.000 0.981 165 R CB -0.921 29.314 30.300 -0.109 0.000 0.870 165 R HN 0.430 nan 8.270 nan 0.000 0.451 166 Y N 0.557 120.674 120.300 -0.306 0.000 2.114 166 Y HA -0.347 4.204 4.550 0.001 0.000 0.282 166 Y C 1.586 177.142 175.900 -0.573 0.000 1.165 166 Y CA 1.630 59.474 58.100 -0.426 0.000 1.148 166 Y CB -0.287 37.844 38.460 -0.548 0.000 0.972 166 Y HN -0.010 nan 8.280 nan 0.000 0.504 167 Y N -0.435 119.724 120.300 -0.235 0.000 2.153 167 Y HA -0.170 4.381 4.550 0.001 0.000 0.289 167 Y C 2.455 178.039 175.900 -0.528 0.000 1.127 167 Y CA 1.540 59.360 58.100 -0.467 0.000 1.131 167 Y CB -0.909 37.104 38.460 -0.746 0.000 0.995 167 Y HN 0.049 nan 8.280 nan 0.000 0.505 168 L N -0.156 120.707 121.223 -0.601 0.000 2.079 168 L HA -0.248 4.093 4.340 0.001 0.000 0.210 168 L C 1.744 178.338 176.870 -0.460 0.000 1.081 168 L CA 1.342 55.752 54.840 -0.717 0.000 0.752 168 L CB -0.547 40.972 42.059 -0.900 0.000 0.896 168 L HN 0.214 nan 8.230 nan 0.000 0.433 169 D N -0.579 119.610 120.400 -0.351 0.000 2.221 169 D HA -0.149 4.491 4.640 0.001 0.000 0.204 169 D C 2.137 178.069 176.300 -0.614 0.000 0.982 169 D CA 1.438 55.229 54.000 -0.348 0.000 0.857 169 D CB -0.257 40.339 40.800 -0.340 0.000 0.934 169 D HN 0.283 nan 8.370 nan 0.000 0.475 170 T N 0.865 114.998 114.554 -0.702 0.000 2.737 170 T HA -0.150 4.201 4.350 0.001 0.000 0.269 170 T C 2.124 176.714 174.700 -0.184 0.000 1.040 170 T CA 1.463 63.228 62.100 -0.559 0.000 1.142 170 T CB -0.136 68.591 68.868 -0.234 0.000 0.861 170 T HN 0.446 nan 8.240 nan 0.000 0.456 171 I N -4.502 115.938 120.570 -0.218 0.000 3.883 171 I HA 0.289 4.460 4.170 0.001 0.000 0.305 171 I C 1.551 177.792 176.117 0.207 0.000 1.247 171 I CA -0.123 61.124 61.300 -0.088 0.000 1.350 171 I CB -0.064 37.538 38.000 -0.664 0.000 1.194 171 I HN 0.067 nan 8.210 nan 0.000 0.441 172 W N 2.273 123.501 121.300 -0.120 0.000 3.180 172 W HA 0.217 4.878 4.660 0.002 0.000 0.254 172 W C 2.132 178.654 176.519 0.005 0.000 1.318 172 W CA 0.292 57.632 57.345 -0.009 0.000 1.608 172 W CB -0.203 29.258 29.460 0.002 0.000 1.124 172 W HN 0.344 nan 8.180 nan 0.000 0.694 173 E N -1.051 119.266 120.200 0.195 0.000 2.419 173 E HA 0.288 4.639 4.350 0.001 0.000 0.197 173 E C 1.934 178.666 176.600 0.220 0.000 0.920 173 E CA 1.539 58.047 56.400 0.181 0.000 1.085 173 E CB -0.249 29.581 29.700 0.215 0.000 1.084 173 E HN -0.038 nan 8.360 nan 0.000 0.490 174 G N 0.810 109.748 108.800 0.229 0.000 2.611 174 G HA2 -0.382 3.579 3.960 0.001 0.000 0.301 174 G HA3 -0.382 3.579 3.960 0.001 0.000 0.301 174 G C 1.023 176.009 174.900 0.142 0.000 1.233 174 G CA 1.146 46.363 45.100 0.195 0.000 0.993 174 G HN 0.964 nan 8.290 nan 0.000 0.553 175 A N 0.178 123.024 122.820 0.043 0.000 2.252 175 A HA 0.541 4.862 4.320 0.001 0.000 0.207 175 A C 2.360 179.964 177.584 0.033 0.000 1.194 175 A CA 1.966 53.990 52.037 -0.022 0.000 0.809 175 A CB -0.798 18.155 19.000 -0.078 0.000 0.814 175 A HN 2.845 nan 8.150 nan 0.000 0.482 176 G N -2.626 106.229 108.800 0.092 0.000 2.480 176 G HA2 -0.106 3.855 3.960 0.001 0.000 0.193 176 G HA3 -0.106 3.855 3.960 0.001 0.000 0.193 176 G C 1.139 176.096 174.900 0.094 0.000 1.004 176 G CA 0.198 45.343 45.100 0.074 0.000 0.696 176 G HN 1.134 nan 8.290 nan 0.000 0.478 177 G N 0.323 109.208 108.800 0.141 0.000 2.796 177 G HA2 0.533 4.494 3.960 0.001 0.000 0.210 177 G HA3 0.533 4.494 3.960 0.001 0.000 0.210 177 G C 1.563 176.532 174.900 0.116 0.000 1.146 177 G CA 1.702 46.880 45.100 0.129 0.000 0.779 177 G HN 1.976 nan 8.290 nan 0.000 0.535 178 G N 0.102 109.001 108.800 0.165 0.000 2.578 178 G HA2 -0.243 3.718 3.960 0.001 0.000 0.275 178 G HA3 -0.243 3.718 3.960 0.001 0.000 0.275 178 G C -0.014 174.946 174.900 0.100 0.000 1.271 178 G CA 0.484 45.681 45.100 0.161 0.000 0.941 178 G HN 0.498 nan 8.290 nan 0.000 0.564 179 M N 0.404 120.011 119.600 0.011 0.000 2.658 179 M HA 0.637 5.118 4.480 0.001 0.000 0.295 179 M C -0.159 175.866 176.300 -0.459 0.000 1.248 179 M CA -0.638 54.576 55.300 -0.143 0.000 0.843 179 M CB 2.634 35.208 32.600 -0.045 0.000 1.749 179 M HN 0.937 nan 8.290 nan 0.000 0.464 180 E N 0.804 120.591 120.200 -0.688 0.000 2.446 180 E HA 0.727 5.078 4.350 0.001 0.000 0.276 180 E C -1.779 174.203 176.600 -1.031 0.000 0.969 180 E CA -1.013 54.588 56.400 -1.332 0.000 0.800 180 E CB 1.953 31.119 29.700 -0.890 0.000 1.341 180 E HN 0.564 nan 8.360 nan 0.000 0.460 181 L N 1.410 121.954 121.223 -1.131 0.000 2.325 181 L HA 0.458 4.799 4.340 0.001 0.000 0.279 181 L C -0.449 176.167 176.870 -0.424 0.000 1.054 181 L CA -1.029 53.377 54.840 -0.724 0.000 0.804 181 L CB 0.925 42.469 42.059 -0.859 0.000 1.200 181 L HN 0.405 nan 8.230 nan 0.000 0.436 182 L N 2.346 123.428 121.223 -0.234 0.000 2.296 182 L HA 0.639 4.980 4.340 0.001 0.000 0.286 182 L C 0.501 177.412 176.870 0.069 0.000 1.023 182 L CA -0.340 54.436 54.840 -0.108 0.000 0.812 182 L CB 1.550 43.538 42.059 -0.119 0.000 1.223 182 L HN 0.688 nan 8.230 nan 0.000 0.421 183 G N 2.613 111.461 108.800 0.079 0.000 2.887 183 G HA2 0.751 4.712 3.960 0.001 0.000 0.277 183 G HA3 0.751 4.712 3.960 0.001 0.000 0.277 183 G C -2.547 172.335 174.900 -0.030 0.000 1.346 183 G CA -0.810 44.341 45.100 0.086 0.000 1.058 183 G HN 0.433 nan 8.290 nan 0.000 0.535 184 P HA 0.371 nan 4.420 nan 0.000 0.274 184 P C -2.633 174.511 177.300 -0.261 0.000 1.246 184 P CA -1.080 61.946 63.100 -0.124 0.000 0.795 184 P CB 0.694 32.308 31.700 -0.144 0.000 1.006 185 P HA 0.249 nan 4.420 nan 0.000 0.278 185 P C -0.207 176.801 177.300 -0.487 0.000 1.238 185 P CA -0.215 62.441 63.100 -0.740 0.000 0.794 185 P CB 0.593 31.587 31.700 -1.176 0.000 0.955 186 M N 2.209 121.604 119.600 -0.342 0.000 2.245 186 M HA 0.139 4.620 4.480 0.001 0.000 0.344 186 M C 0.614 176.737 176.300 -0.296 0.000 1.170 186 M CA 0.972 56.125 55.300 -0.244 0.000 1.135 186 M CB 0.128 32.660 32.600 -0.114 0.000 1.574 186 M HN 0.177 nan 8.290 nan 0.000 0.452 187 K N 1.645 121.900 120.400 -0.242 0.000 2.507 187 K HA 0.533 4.853 4.320 0.001 0.000 0.251 187 K C -1.245 175.348 176.600 -0.012 0.000 0.943 187 K CA -0.619 55.552 56.287 -0.192 0.000 0.794 187 K CB 2.057 34.334 32.500 -0.371 0.000 1.188 187 K HN 0.786 nan 8.250 nan 0.000 0.428 188 S N 2.440 118.200 115.700 0.099 0.000 2.588 188 S HA 0.574 5.045 4.470 0.001 0.000 0.275 188 S C -0.749 173.948 174.600 0.161 0.000 1.130 188 S CA -1.033 57.233 58.200 0.111 0.000 0.855 188 S CB 0.989 64.249 63.200 0.101 0.000 1.116 188 S HN 0.419 nan 8.310 nan 0.000 0.472 189 L N 1.816 123.117 121.223 0.130 0.000 2.334 189 L HA 0.659 5.000 4.340 0.001 0.000 0.277 189 L C -0.996 175.953 176.870 0.132 0.000 1.075 189 L CA -0.948 53.972 54.840 0.133 0.000 0.804 189 L CB 1.336 43.456 42.059 0.102 0.000 1.174 189 L HN 0.630 nan 8.230 nan 0.000 0.438 190 L N 2.773 124.085 121.223 0.148 0.000 2.410 190 L HA 0.296 4.637 4.340 0.001 0.000 0.270 190 L C -0.422 176.533 176.870 0.143 0.000 0.983 190 L CA -0.059 54.865 54.840 0.139 0.000 0.822 190 L CB 1.995 44.150 42.059 0.161 0.000 1.285 190 L HN 0.517 nan 8.230 nan 0.000 0.409 191 Q N 4.769 124.656 119.800 0.145 0.000 3.026 191 Q HA 0.375 4.716 4.340 0.001 0.000 0.258 191 Q C -0.645 175.536 176.000 0.303 0.000 1.388 191 Q CA -0.248 55.699 55.803 0.240 0.000 1.000 191 Q CB 0.073 28.914 28.738 0.171 0.000 1.634 191 Q HN 0.697 nan 8.270 nan 0.000 0.571 192 C N -1.553 117.857 119.300 0.184 0.000 3.173 192 C HA 0.493 4.954 4.460 0.001 0.000 0.310 192 C C -0.213 174.789 174.990 0.019 0.000 1.306 192 C CA -1.383 57.676 59.018 0.069 0.000 1.426 192 C CB 1.427 29.153 27.740 -0.023 0.000 1.800 192 C HN 0.606 nan 8.230 nan 0.000 0.470 193 N N 1.734 120.376 118.700 -0.096 0.000 2.492 193 N HA 0.040 4.781 4.740 0.001 0.000 0.260 193 N C 1.261 176.685 175.510 -0.142 0.000 1.215 193 N CA 0.209 53.202 53.050 -0.095 0.000 0.923 193 N CB 0.694 39.052 38.487 -0.216 0.000 1.092 193 N HN 1.032 nan 8.380 nan 0.000 0.448 194 W N 4.877 126.189 121.300 0.021 0.000 2.387 194 W HA -0.100 4.561 4.660 0.001 0.000 0.272 194 W C 0.606 177.078 176.519 -0.078 0.000 1.224 194 W CA 0.313 57.675 57.345 0.029 0.000 1.210 194 W CB -0.421 29.170 29.460 0.217 0.000 1.125 194 W HN 0.517 nan 8.180 nan 0.000 0.572 195 K N 0.896 120.784 120.400 -0.854 0.000 2.288 195 K HA -0.057 4.264 4.320 0.001 0.000 0.201 195 K C 2.067 178.343 176.600 -0.539 0.000 1.048 195 K CA 1.325 57.145 56.287 -0.777 0.000 0.956 195 K CB -0.031 32.096 32.500 -0.622 0.000 0.746 195 K HN 0.065 nan 8.250 nan 0.000 0.461 196 V N 1.458 120.990 119.914 -0.637 0.000 2.270 196 V HA -0.143 3.978 4.120 0.001 0.000 0.245 196 V C -1.046 174.771 176.094 -0.461 0.000 1.043 196 V CA 1.459 63.426 62.300 -0.555 0.000 1.014 196 V CB -1.406 30.041 31.823 -0.627 0.000 0.645 196 V HN 0.174 nan 8.190 nan 0.000 0.447 197 P HA -0.090 nan 4.420 nan 0.000 0.217 197 P C 1.738 178.650 177.300 -0.647 0.000 1.150 197 P CA 2.034 64.654 63.100 -0.800 0.000 0.832 197 P CB -0.157 30.434 31.700 -1.849 0.000 0.787 198 A N 1.250 123.665 122.820 -0.676 0.000 1.883 198 A HA -0.262 4.059 4.320 0.001 0.000 0.217 198 A C 2.313 179.629 177.584 -0.446 0.000 1.186 198 A CA 2.272 54.115 52.037 -0.324 0.000 0.624 198 A CB -1.405 17.496 19.000 -0.164 0.000 0.822 198 A HN 0.409 nan 8.150 nan 0.000 0.444 199 E N -0.287 119.511 120.200 -0.670 0.000 2.106 199 E HA -0.235 4.116 4.350 0.001 0.000 0.192 199 E C 1.796 178.059 176.600 -0.562 0.000 0.984 199 E CA 1.338 57.251 56.400 -0.811 0.000 0.806 199 E CB -0.522 28.729 29.700 -0.748 0.000 0.750 199 E HN 0.604 nan 8.360 nan 0.000 0.458 200 N N 0.099 118.608 118.700 -0.318 0.000 2.069 200 N HA -0.191 4.550 4.740 0.001 0.000 0.191 200 N C 1.456 176.888 175.510 -0.130 0.000 1.031 200 N CA 1.791 54.717 53.050 -0.207 0.000 0.852 200 N CB -0.289 38.070 38.487 -0.214 0.000 1.018 200 N HN 0.165 nan 8.380 nan 0.000 0.423 201 F N 0.227 120.154 119.950 -0.037 0.000 2.259 201 F HA 0.101 4.629 4.527 0.001 0.000 0.298 201 F C 2.133 177.957 175.800 0.041 0.000 1.088 201 F CA 0.477 58.527 58.000 0.085 0.000 1.358 201 F CB -0.241 38.878 39.000 0.199 0.000 1.040 201 F HN 0.119 nan 8.300 nan 0.000 0.505 202 I N -1.077 119.530 120.570 0.062 0.000 2.546 202 I HA -0.090 4.081 4.170 0.001 0.000 0.255 202 I C 1.802 177.950 176.117 0.051 0.000 1.163 202 I CA 1.549 62.866 61.300 0.028 0.000 1.457 202 I CB -0.090 37.848 38.000 -0.104 0.000 1.092 202 I HN 0.189 nan 8.210 nan 0.000 0.434 203 G N -1.058 107.752 108.800 0.016 0.000 4.189 203 G HA2 -0.034 3.927 3.960 0.001 0.000 0.220 203 G HA3 -0.034 3.927 3.960 0.001 0.000 0.220 203 G C -0.358 174.755 174.900 0.355 0.000 1.071 203 G CA -0.246 44.963 45.100 0.183 0.000 0.854 203 G HN 0.138 nan 8.290 nan 0.000 0.426 204 D N 1.481 122.058 120.400 0.295 0.000 2.741 204 D HA 0.321 4.962 4.640 0.001 0.000 0.233 204 D C 1.768 178.324 176.300 0.428 0.000 1.160 204 D CA 0.122 54.365 54.000 0.406 0.000 1.003 204 D CB 0.360 41.328 40.800 0.279 0.000 1.064 204 D HN 0.109 nan 8.370 nan 0.000 0.503 205 G N 0.910 109.911 108.800 0.334 0.000 2.443 205 G HA2 -0.317 3.644 3.960 0.001 0.000 0.219 205 G HA3 -0.317 3.644 3.960 0.001 0.000 0.219 205 G C 1.245 176.277 174.900 0.221 0.000 1.131 205 G CA 0.278 45.571 45.100 0.322 0.000 0.775 205 G HN 0.436 nan 8.290 nan 0.000 0.547 206 Y N 2.207 122.529 120.300 0.036 0.000 2.181 206 Y HA -0.198 4.353 4.550 0.002 0.000 0.288 206 Y C 2.700 178.640 175.900 0.066 0.000 1.146 206 Y CA 1.506 59.576 58.100 -0.049 0.000 1.164 206 Y CB -0.589 37.826 38.460 -0.074 0.000 0.982 206 Y HN 0.600 nan 8.280 nan 0.000 0.515 207 H N -1.520 117.581 119.070 0.052 0.000 2.524 207 H HA -0.004 4.553 4.556 0.001 0.000 0.282 207 H C 2.028 177.390 175.328 0.056 0.000 1.016 207 H CA 1.302 57.338 56.048 -0.019 0.000 1.270 207 H CB -0.835 28.932 29.762 0.007 0.000 1.394 207 H HN 0.254 nan 8.280 nan 0.000 0.568 208 V N 1.557 121.270 119.914 -0.336 0.000 2.255 208 V HA -0.196 3.925 4.120 0.001 0.000 0.247 208 V C 3.017 179.091 176.094 -0.034 0.000 1.051 208 V CA 2.121 64.269 62.300 -0.254 0.000 1.018 208 V CB -1.127 30.675 31.823 -0.036 0.000 0.641 208 V HN 0.666 nan 8.190 nan 0.000 0.445 209 G N -2.041 106.783 108.800 0.040 0.000 2.534 209 G HA2 -0.222 3.739 3.960 0.001 0.000 0.217 209 G HA3 -0.222 3.739 3.960 0.001 0.000 0.217 209 G C 1.363 176.314 174.900 0.085 0.000 1.128 209 G CA 0.328 45.479 45.100 0.084 0.000 0.784 209 G HN 0.607 nan 8.290 nan 0.000 0.542 210 W N 0.670 121.898 121.300 -0.119 0.000 2.633 210 W HA -0.005 4.656 4.660 0.001 0.000 0.295 210 W C 2.130 178.567 176.519 -0.136 0.000 1.133 210 W CA 1.263 58.532 57.345 -0.126 0.000 1.490 210 W CB -0.232 29.119 29.460 -0.181 0.000 1.127 210 W HN 0.156 nan 8.180 nan 0.000 0.538 211 T N 0.039 114.542 114.554 -0.085 0.000 2.737 211 T HA -0.169 4.182 4.350 0.001 0.000 0.265 211 T C 1.009 175.476 174.700 -0.389 0.000 1.038 211 T CA 1.286 63.228 62.100 -0.263 0.000 1.144 211 T CB -0.445 68.270 68.868 -0.255 0.000 0.866 211 T HN 0.131 nan 8.240 nan 0.000 0.434 212 H N 0.034 119.056 119.070 -0.080 0.000 2.505 212 H HA 0.567 5.123 4.556 0.001 0.000 0.289 212 H C 2.032 177.312 175.328 -0.081 0.000 1.052 212 H CA 0.158 56.160 56.048 -0.077 0.000 1.156 212 H CB -0.299 29.424 29.762 -0.064 0.000 1.507 212 H HN 0.321 nan 8.280 nan 0.000 0.548 213 A N 1.425 124.213 122.820 -0.053 0.000 1.927 213 A HA -0.247 4.074 4.320 0.001 0.000 0.220 213 A C 2.629 180.188 177.584 -0.042 0.000 1.185 213 A CA 2.041 54.039 52.037 -0.065 0.000 0.639 213 A CB -0.648 18.247 19.000 -0.174 0.000 0.820 213 A HN 0.455 nan 8.150 nan 0.000 0.451 214 A N -0.383 122.403 122.820 -0.057 0.000 1.858 214 A HA 0.158 4.479 4.320 0.001 0.000 0.216 214 A C 2.581 180.159 177.584 -0.009 0.000 1.190 214 A CA 2.371 54.384 52.037 -0.039 0.000 0.617 214 A CB -1.246 17.725 19.000 -0.049 0.000 0.827 214 A HN 1.236 nan 8.150 nan 0.000 0.443 215 A N -0.737 122.089 122.820 0.010 0.000 1.917 215 A HA -0.097 4.224 4.320 0.001 0.000 0.219 215 A C 2.048 179.641 177.584 0.016 0.000 1.182 215 A CA 1.918 53.961 52.037 0.010 0.000 0.633 215 A CB -0.585 18.419 19.000 0.006 0.000 0.819 215 A HN 0.402 nan 8.150 nan 0.000 0.448 216 L N 0.493 121.734 121.223 0.029 0.000 2.017 216 L HA -0.141 4.200 4.340 0.001 0.000 0.208 216 L C 3.065 179.951 176.870 0.027 0.000 1.073 216 L CA 2.434 57.294 54.840 0.034 0.000 0.745 216 L CB -1.219 40.869 42.059 0.048 0.000 0.894 216 L HN 0.632 nan 8.230 nan 0.000 0.432 217 S N -0.894 114.816 115.700 0.016 0.000 2.370 217 S HA -0.313 4.158 4.470 0.001 0.000 0.226 217 S C 2.002 176.610 174.600 0.013 0.000 1.033 217 S CA 1.545 59.752 58.200 0.012 0.000 1.011 217 S CB -0.519 62.680 63.200 -0.002 0.000 0.852 217 S HN 0.567 nan 8.310 nan 0.000 0.457 218 Q N 0.762 120.567 119.800 0.010 0.000 2.119 218 Q HA 0.042 4.383 4.340 0.001 0.000 0.201 218 Q C 2.019 178.031 176.000 0.019 0.000 0.972 218 Q CA 1.661 57.471 55.803 0.011 0.000 0.847 218 Q CB -0.363 28.378 28.738 0.005 0.000 0.903 218 Q HN 0.741 nan 8.270 nan 0.000 0.433 219 I N 0.090 120.675 120.570 0.026 0.000 2.233 219 I HA 0.029 4.199 4.170 0.001 0.000 0.243 219 I C 1.365 177.505 176.117 0.038 0.000 1.093 219 I CA 0.773 62.095 61.300 0.037 0.000 1.380 219 I CB -0.545 37.484 38.000 0.048 0.000 1.067 219 I HN 0.497 nan 8.210 nan 0.000 0.413 220 G N -0.034 108.787 108.800 0.036 0.000 2.725 220 G HA2 0.160 4.120 3.960 0.001 0.000 0.220 220 G HA3 0.160 4.120 3.960 0.001 0.000 0.220 220 G C 0.302 175.226 174.900 0.040 0.000 1.357 220 G CA -0.513 44.608 45.100 0.035 0.000 0.866 220 G HN 1.087 nan 8.290 nan 0.000 0.548 221 G N -1.358 107.465 108.800 0.038 0.000 2.553 221 G HA2 0.048 4.008 3.960 0.001 0.000 0.242 221 G HA3 0.048 4.008 3.960 0.001 0.000 0.242 221 G C 0.805 175.729 174.900 0.040 0.000 1.277 221 G CA 1.033 46.157 45.100 0.039 0.000 0.910 221 G HN 1.816 nan 8.290 nan 0.000 0.576 222 E N -0.173 120.050 120.200 0.038 0.000 2.063 222 E HA -0.196 4.155 4.350 0.001 0.000 0.221 222 E C 2.579 179.206 176.600 0.046 0.000 1.052 222 E CA 2.288 58.710 56.400 0.038 0.000 0.891 222 E CB -0.313 29.402 29.700 0.026 0.000 0.792 222 E HN 0.495 nan 8.360 nan 0.000 0.482 223 L N -0.005 121.238 121.223 0.034 0.000 2.478 223 L HA 0.073 4.414 4.340 0.001 0.000 0.223 223 L C 2.256 179.167 176.870 0.067 0.000 1.140 223 L CA 0.362 55.227 54.840 0.040 0.000 0.842 223 L CB -0.424 41.629 42.059 -0.010 0.000 0.953 223 L HN 0.163 nan 8.230 nan 0.000 0.452 224 A N 0.975 123.830 122.820 0.058 0.000 1.978 224 A HA -0.162 4.159 4.320 0.001 0.000 0.220 224 A C 2.382 180.011 177.584 0.075 0.000 1.170 224 A CA 1.727 53.800 52.037 0.059 0.000 0.636 224 A CB -1.057 17.971 19.000 0.046 0.000 0.810 224 A HN 0.438 nan 8.150 nan 0.000 0.448 225 G N -0.399 108.453 108.800 0.087 0.000 2.498 225 G HA2 -0.104 3.856 3.960 0.001 0.000 0.219 225 G HA3 -0.104 3.856 3.960 0.001 0.000 0.219 225 G C 1.356 176.354 174.900 0.163 0.000 1.119 225 G CA 0.830 45.992 45.100 0.104 0.000 0.766 225 G HN 0.483 nan 8.290 nan 0.000 0.552 226 L N 0.581 121.920 121.223 0.195 0.000 2.362 226 L HA 0.106 4.447 4.340 0.001 0.000 0.219 226 L C 2.045 179.028 176.870 0.188 0.000 1.134 226 L CA -0.019 54.976 54.840 0.258 0.000 0.807 226 L CB -0.441 41.765 42.059 0.244 0.000 0.927 226 L HN 0.227 nan 8.230 nan 0.000 0.447 227 A N 0.366 123.261 122.820 0.125 0.000 2.522 227 A HA 0.372 4.692 4.320 0.001 0.000 0.256 227 A C 1.393 179.029 177.584 0.087 0.000 1.086 227 A CA 0.691 52.775 52.037 0.077 0.000 0.763 227 A CB -0.299 18.726 19.000 0.040 0.000 1.024 227 A HN 0.565 nan 8.150 nan 0.000 0.502 228 G N 2.215 111.064 108.800 0.082 0.000 2.176 228 G HA2 -0.252 3.709 3.960 0.001 0.000 0.253 228 G HA3 -0.252 3.709 3.960 0.001 0.000 0.253 228 G C 0.309 175.349 174.900 0.233 0.000 0.979 228 G CA 0.252 45.430 45.100 0.130 0.000 0.641 228 G HN 1.484 nan 8.290 nan 0.000 0.530 229 N N -0.072 118.767 118.700 0.231 0.000 2.641 229 N HA -0.145 4.596 4.740 0.001 0.000 0.267 229 N C 0.341 176.025 175.510 0.291 0.000 1.087 229 N CA 1.458 54.669 53.050 0.268 0.000 0.731 229 N CB -0.501 38.107 38.487 0.202 0.000 0.886 229 N HN 0.832 nan 8.380 nan 0.000 0.547 230 R N 0.441 121.117 120.500 0.293 0.000 2.442 230 R HA 0.283 4.624 4.340 0.001 0.000 0.291 230 R C 1.320 177.733 176.300 0.187 0.000 1.069 230 R CA 0.436 56.650 56.100 0.190 0.000 1.022 230 R CB 0.491 30.859 30.300 0.114 0.000 0.976 230 R HN 0.434 nan 8.270 nan 0.000 0.443 231 A N 2.695 125.592 122.820 0.127 0.000 2.209 231 A HA -0.119 4.202 4.320 0.001 0.000 0.212 231 A C 1.006 178.599 177.584 0.015 0.000 1.158 231 A CA 1.083 53.182 52.037 0.102 0.000 0.742 231 A CB -0.172 18.871 19.000 0.073 0.000 0.790 231 A HN 0.801 nan 8.150 nan 0.000 0.472 232 D N -0.481 119.904 120.400 -0.024 0.000 2.349 232 D HA 0.082 4.723 4.640 0.001 0.000 0.215 232 D C 0.360 176.571 176.300 -0.149 0.000 1.016 232 D CA -0.001 53.961 54.000 -0.064 0.000 0.870 232 D CB -0.422 40.357 40.800 -0.034 0.000 0.917 232 D HN 0.455 nan 8.370 nan 0.000 0.524 233 I N 2.000 122.388 120.570 -0.303 0.000 2.342 233 I HA 0.198 4.369 4.170 0.001 0.000 0.291 233 I C -2.031 173.714 176.117 -0.621 0.000 1.010 233 I CA -2.284 58.710 61.300 -0.511 0.000 1.308 233 I CB 1.254 38.776 38.000 -0.797 0.000 1.400 233 I HN -0.240 nan 8.210 nan 0.000 0.488 234 P HA 0.083 nan 4.420 nan 0.000 0.256 234 P C 0.390 177.624 177.300 -0.110 0.000 1.688 234 P CA -0.075 62.922 63.100 -0.172 0.000 1.162 234 P CB -0.112 31.550 31.700 -0.065 0.000 1.870 235 F N 1.982 121.944 119.950 0.020 0.000 2.202 235 F HA -0.179 4.349 4.527 0.001 0.000 0.301 235 F C 2.079 177.920 175.800 0.068 0.000 1.082 235 F CA 1.649 59.665 58.000 0.026 0.000 1.313 235 F CB -0.754 38.147 39.000 -0.164 0.000 1.024 235 F HN 0.243 nan 8.300 nan 0.000 0.495 236 D N -0.943 119.570 120.400 0.189 0.000 2.312 236 D HA -0.141 4.500 4.640 0.001 0.000 0.211 236 D C 1.069 177.479 176.300 0.183 0.000 0.964 236 D CA 0.814 54.911 54.000 0.162 0.000 0.877 236 D CB -0.613 40.250 40.800 0.104 0.000 0.924 236 D HN 0.223 nan 8.370 nan 0.000 0.515 237 D N -0.083 120.411 120.400 0.156 0.000 2.347 237 D HA -0.016 4.625 4.640 0.001 0.000 0.215 237 D C 1.461 177.875 176.300 0.189 0.000 0.976 237 D CA 0.223 54.313 54.000 0.151 0.000 0.884 237 D CB 0.331 41.190 40.800 0.099 0.000 0.915 237 D HN 0.196 nan 8.370 nan 0.000 0.526 238 L N -0.950 120.429 121.223 0.260 0.000 2.638 238 L HA 0.382 4.723 4.340 0.001 0.000 0.232 238 L C 1.167 178.225 176.870 0.314 0.000 1.099 238 L CA 0.124 55.143 54.840 0.298 0.000 0.883 238 L CB 0.531 42.840 42.059 0.417 0.000 1.136 238 L HN -0.045 nan 8.230 nan 0.000 0.492 239 G N -1.690 107.330 108.800 0.367 0.000 2.490 239 G HA2 0.572 4.533 3.960 0.001 0.000 0.308 239 G HA3 0.572 4.533 3.960 0.001 0.000 0.308 239 G C -1.861 173.168 174.900 0.215 0.000 1.286 239 G CA -0.489 44.794 45.100 0.305 0.000 0.825 239 G HN -0.128 nan 8.290 nan 0.000 0.479 240 L N -0.787 120.471 121.223 0.059 0.000 2.491 240 L HA 0.699 5.040 4.340 0.001 0.000 0.254 240 L C -0.833 175.766 176.870 -0.453 0.000 1.048 240 L CA -0.786 53.907 54.840 -0.245 0.000 0.855 240 L CB 2.732 44.443 42.059 -0.581 0.000 1.466 240 L HN 0.680 nan 8.230 nan 0.000 0.409 241 Q N 0.401 119.784 119.800 -0.695 0.000 2.372 241 Q HA 0.685 5.025 4.340 0.001 0.000 0.273 241 Q C -2.062 173.366 176.000 -0.954 0.000 1.078 241 Q CA -0.505 54.914 55.803 -0.640 0.000 0.806 241 Q CB 2.535 31.129 28.738 -0.240 0.000 1.332 241 Q HN 0.406 nan 8.270 nan 0.000 0.435 242 F N 0.341 119.960 119.950 -0.551 0.000 2.565 242 F HA 0.623 5.151 4.527 0.001 0.000 0.313 242 F C 0.080 175.721 175.800 -0.265 0.000 1.091 242 F CA -0.625 57.059 58.000 -0.526 0.000 0.915 242 F CB 2.668 41.063 39.000 -1.008 0.000 1.208 242 F HN 0.375 nan 8.300 nan 0.000 0.453 243 T N 0.668 115.251 114.554 0.048 0.000 2.883 243 T HA 0.758 5.109 4.350 0.001 0.000 0.301 243 T C -0.902 173.875 174.700 0.129 0.000 1.158 243 T CA -0.401 61.743 62.100 0.075 0.000 1.007 243 T CB 1.620 70.546 68.868 0.095 0.000 1.186 243 T HN 0.870 nan 8.240 nan 0.000 0.499 244 T N 0.307 114.856 114.554 -0.008 0.000 2.865 244 T HA 0.488 4.839 4.350 0.001 0.000 0.294 244 T C 1.012 175.229 174.700 -0.804 0.000 1.119 244 T CA -0.920 61.069 62.100 -0.185 0.000 1.007 244 T CB 1.726 70.566 68.868 -0.047 0.000 1.225 244 T HN 0.462 nan 8.240 nan 0.000 0.515 245 R N 0.254 119.924 120.500 -1.383 0.000 2.117 245 R HA -0.127 4.213 4.340 0.001 0.000 0.243 245 R C 0.593 175.942 176.300 -1.586 0.000 1.143 245 R CA 1.805 56.588 56.100 -2.194 0.000 0.968 245 R CB -0.806 28.358 30.300 -1.894 0.000 0.863 245 R HN 0.868 nan 8.270 nan 0.000 0.444 246 H N -1.544 116.720 119.070 -1.345 0.000 2.550 246 H HA 0.226 4.783 4.556 0.002 0.000 0.304 246 H C 0.945 175.008 175.328 -2.110 0.000 1.086 246 H CA 0.182 54.961 56.048 -2.115 0.000 1.089 246 H CB 0.536 29.401 29.762 -1.496 0.000 1.528 246 H HN 0.558 nan 8.280 nan 0.000 0.539 247 G N 0.376 108.453 108.800 -1.206 0.000 2.253 247 G HA2 -0.303 3.658 3.960 0.001 0.000 0.251 247 G HA3 -0.303 3.658 3.960 0.001 0.000 0.251 247 G C 0.086 174.816 174.900 -0.283 0.000 0.998 247 G CA -0.217 44.540 45.100 -0.571 0.000 0.621 247 G HN 0.462 nan 8.290 nan 0.000 0.524 248 H N 1.230 120.122 119.070 -0.296 0.000 2.815 248 H HA 0.532 5.089 4.556 0.001 0.000 0.350 248 H C 0.825 175.882 175.328 -0.453 0.000 1.080 248 H CA 0.871 56.615 56.048 -0.506 0.000 1.433 248 H CB 1.078 30.087 29.762 -1.254 0.000 1.432 248 H HN 0.891 nan 8.280 nan 0.000 0.592 249 G N 0.977 109.683 108.800 -0.156 0.000 2.608 249 G HA2 0.510 4.471 3.960 0.001 0.000 0.291 249 G HA3 0.510 4.471 3.960 0.001 0.000 0.291 249 G C -1.821 173.262 174.900 0.305 0.000 1.425 249 G CA -0.861 44.291 45.100 0.087 0.000 0.787 249 G HN 0.543 nan 8.290 nan 0.000 0.484 250 F N -1.889 118.082 119.950 0.035 0.000 2.770 250 F HA 0.816 5.343 4.527 0.001 0.000 0.313 250 F C -0.224 175.620 175.800 0.072 0.000 1.154 250 F CA -0.974 57.049 58.000 0.039 0.000 0.923 250 F CB 1.068 40.058 39.000 -0.017 0.000 1.301 250 F HN 0.971 nan 8.300 nan 0.000 0.449 251 G N 0.539 109.398 108.800 0.099 0.000 2.432 251 G HA2 0.637 4.598 3.960 0.001 0.000 0.331 251 G HA3 0.637 4.598 3.960 0.001 0.000 0.331 251 G C -2.070 172.913 174.900 0.140 0.000 1.170 251 G CA -1.178 43.936 45.100 0.024 0.000 0.943 251 G HN 1.177 nan 8.290 nan 0.000 0.483 252 V N 2.356 122.310 119.914 0.067 0.000 2.588 252 V HA 0.610 4.730 4.120 0.001 0.000 0.304 252 V C -0.765 175.350 176.094 0.034 0.000 1.042 252 V CA -0.950 61.430 62.300 0.133 0.000 0.877 252 V CB 1.540 33.430 31.823 0.111 0.000 0.996 252 V HN 0.599 nan 8.190 nan 0.000 0.425 253 I N 5.980 126.533 120.570 -0.028 0.000 2.312 253 I HA 0.375 4.546 4.170 0.001 0.000 0.290 253 I C -0.178 175.956 176.117 0.029 0.000 1.008 253 I CA -0.611 60.538 61.300 -0.251 0.000 1.226 253 I CB 1.227 38.963 38.000 -0.441 0.000 1.371 253 I HN 0.536 nan 8.210 nan 0.000 0.468 254 D N 5.689 126.129 120.400 0.067 0.000 2.455 254 D HA -0.010 4.631 4.640 0.001 0.000 0.241 254 D C 0.534 176.899 176.300 0.110 0.000 1.138 254 D CA 0.695 54.774 54.000 0.131 0.000 0.877 254 D CB 0.414 41.300 40.800 0.143 0.000 1.187 254 D HN 0.597 nan 8.370 nan 0.000 0.451 255 N N 0.409 119.184 118.700 0.126 0.000 2.741 255 N HA -0.242 4.499 4.740 0.001 0.000 0.250 255 N C -0.036 175.507 175.510 0.056 0.000 1.115 255 N CA 0.729 53.830 53.050 0.086 0.000 0.724 255 N CB -0.598 37.934 38.487 0.075 0.000 1.090 255 N HN 0.452 nan 8.380 nan 0.000 0.558 256 A N -1.006 121.860 122.820 0.078 0.000 2.603 256 A HA 0.732 5.053 4.320 0.001 0.000 0.277 256 A C 1.837 179.477 177.584 0.093 0.000 1.158 256 A CA 0.621 52.694 52.037 0.060 0.000 0.962 256 A CB 0.183 19.205 19.000 0.036 0.000 1.189 256 A HN 0.410 nan 8.150 nan 0.000 0.552 257 A N 0.629 123.485 122.820 0.059 0.000 1.896 257 A HA -0.013 4.308 4.320 0.001 0.000 0.220 257 A C 2.064 179.616 177.584 -0.054 0.000 1.206 257 A CA 2.191 54.213 52.037 -0.026 0.000 0.647 257 A CB -0.751 18.084 19.000 -0.276 0.000 0.828 257 A HN 1.375 nan 8.150 nan 0.000 0.455 258 A N -0.740 121.968 122.820 -0.187 0.000 2.370 258 A HA 0.463 4.784 4.320 0.001 0.000 0.238 258 A C 1.830 179.403 177.584 -0.019 0.000 1.289 258 A CA 0.938 52.875 52.037 -0.168 0.000 0.885 258 A CB -0.996 17.846 19.000 -0.264 0.000 0.961 258 A HN 0.755 nan 8.150 nan 0.000 0.499 259 G N -0.084 108.731 108.800 0.025 0.000 2.448 259 G HA2 -0.128 3.833 3.960 0.001 0.000 0.219 259 G HA3 -0.128 3.833 3.960 0.001 0.000 0.219 259 G C 1.166 176.116 174.900 0.085 0.000 1.127 259 G CA 0.842 45.965 45.100 0.040 0.000 0.766 259 G HN 0.497 nan 8.290 nan 0.000 0.552 260 L N -0.130 121.182 121.223 0.149 0.000 2.607 260 L HA 0.246 4.587 4.340 0.001 0.000 0.228 260 L C 0.347 177.419 176.870 0.337 0.000 1.123 260 L CA -0.222 54.751 54.840 0.221 0.000 0.890 260 L CB 0.017 42.236 42.059 0.266 0.000 1.103 260 L HN 0.239 nan 8.230 nan 0.000 0.468 261 H N -0.054 119.099 119.070 0.139 0.000 2.517 261 H HA 0.228 4.785 4.556 0.002 0.000 0.317 261 H C 0.834 176.221 175.328 0.099 0.000 1.080 261 H CA -0.508 55.620 56.048 0.133 0.000 1.301 261 H CB 2.279 32.157 29.762 0.193 0.000 1.425 261 H HN 0.072 nan 8.280 nan 0.000 0.471 262 I N 1.990 122.658 120.570 0.163 0.000 2.339 262 I HA -0.093 4.078 4.170 0.001 0.000 0.245 262 I C 0.460 176.637 176.117 0.101 0.000 1.096 262 I CA 1.027 62.390 61.300 0.106 0.000 1.408 262 I CB 0.086 38.123 38.000 0.063 0.000 1.092 262 I HN 0.322 nan 8.210 nan 0.000 0.423 263 K N 2.221 122.674 120.400 0.088 0.000 2.268 263 K HA 0.265 4.586 4.320 0.001 0.000 0.276 263 K C 0.145 176.832 176.600 0.144 0.000 1.080 263 K CA -0.157 56.182 56.287 0.086 0.000 0.910 263 K CB 0.661 33.189 32.500 0.046 0.000 1.163 263 K HN 0.282 nan 8.250 nan 0.000 0.465 264 R N 1.645 122.247 120.500 0.169 0.000 2.544 264 R HA 0.127 4.468 4.340 0.001 0.000 0.426 264 R C 0.220 176.638 176.300 0.197 0.000 0.943 264 R CA -0.341 55.909 56.100 0.251 0.000 1.162 264 R CB 0.075 30.541 30.300 0.277 0.000 1.588 264 R HN 0.384 nan 8.270 nan 0.000 0.563 265 E N 1.470 121.756 120.200 0.142 0.000 2.070 265 E HA -0.168 4.183 4.350 0.001 0.000 0.197 265 E C 1.852 178.542 176.600 0.149 0.000 1.004 265 E CA 1.893 58.364 56.400 0.118 0.000 0.805 265 E CB -0.054 29.700 29.700 0.090 0.000 0.744 265 E HN 0.579 nan 8.360 nan 0.000 0.451 266 G N 0.553 109.458 108.800 0.174 0.000 2.402 266 G HA2 -0.256 3.705 3.960 0.001 0.000 0.216 266 G HA3 -0.256 3.705 3.960 0.001 0.000 0.216 266 G C 1.252 176.348 174.900 0.327 0.000 1.162 266 G CA 0.408 45.631 45.100 0.205 0.000 0.777 266 G HN 0.412 nan 8.290 nan 0.000 0.539 267 W N 1.117 122.470 121.300 0.089 0.000 2.381 267 W HA -0.113 4.548 4.660 0.002 0.000 0.301 267 W C 2.377 178.965 176.519 0.115 0.000 1.205 267 W CA 1.252 58.647 57.345 0.083 0.000 1.285 267 W CB 0.028 29.514 29.460 0.043 0.000 1.133 267 W HN 0.173 nan 8.180 nan 0.000 0.521 268 T N 1.282 115.882 114.554 0.077 0.000 2.746 268 T HA -0.209 4.142 4.350 0.001 0.000 0.267 268 T C 1.581 176.284 174.700 0.004 0.000 1.039 268 T CA 1.937 63.988 62.100 -0.081 0.000 1.142 268 T CB -0.226 68.625 68.868 -0.029 0.000 0.866 268 T HN 0.148 nan 8.240 nan 0.000 0.444 269 K N 0.177 120.638 120.400 0.100 0.000 2.097 269 K HA -0.007 4.314 4.320 0.001 0.000 0.205 269 K C 1.958 178.640 176.600 0.136 0.000 1.050 269 K CA 1.019 57.368 56.287 0.103 0.000 0.938 269 K CB -0.323 32.249 32.500 0.119 0.000 0.718 269 K HN 0.258 nan 8.250 nan 0.000 0.442 270 F N 2.002 122.010 119.950 0.098 0.000 2.095 270 F HA -0.200 4.329 4.527 0.002 0.000 0.298 270 F C 1.762 177.631 175.800 0.116 0.000 1.104 270 F CA 1.406 59.495 58.000 0.148 0.000 1.232 270 F CB -0.185 38.984 39.000 0.282 0.000 0.987 270 F HN -0.110 nan 8.300 nan 0.000 0.475 271 L N -0.078 121.210 121.223 0.108 0.000 2.046 271 L HA -0.225 4.116 4.340 0.001 0.000 0.208 271 L C 2.376 179.251 176.870 0.009 0.000 1.077 271 L CA 1.776 56.601 54.840 -0.025 0.000 0.747 271 L CB -0.819 41.054 42.059 -0.311 0.000 0.896 271 L HN 0.170 nan 8.230 nan 0.000 0.432 272 E N -0.010 120.178 120.200 -0.020 0.000 2.077 272 E HA -0.228 4.123 4.350 0.001 0.000 0.193 272 E C 1.680 178.266 176.600 -0.023 0.000 0.989 272 E CA 1.409 57.805 56.400 -0.006 0.000 0.800 272 E CB -0.025 29.674 29.700 -0.002 0.000 0.746 272 E HN 0.442 nan 8.360 nan 0.000 0.452 273 D N -0.725 119.637 120.400 -0.065 0.000 2.269 273 D HA -0.077 4.564 4.640 0.001 0.000 0.208 273 D C 1.880 178.092 176.300 -0.147 0.000 0.963 273 D CA 1.479 55.420 54.000 -0.097 0.000 0.864 273 D CB -0.033 40.703 40.800 -0.107 0.000 0.936 273 D HN 0.285 nan 8.370 nan 0.000 0.505 274 T N -1.976 112.464 114.554 -0.189 0.000 3.001 274 T HA 0.057 4.408 4.350 0.001 0.000 0.251 274 T C 1.761 176.378 174.700 -0.137 0.000 1.040 274 T CA -0.322 61.663 62.100 -0.192 0.000 0.985 274 T CB 0.123 68.809 68.868 -0.304 0.000 1.011 274 T HN 0.171 nan 8.240 nan 0.000 0.509 275 R N 1.617 122.111 120.500 -0.010 0.000 2.120 275 R HA 0.112 4.453 4.340 0.001 0.000 0.234 275 R C 2.547 178.808 176.300 -0.066 0.000 1.123 275 R CA 1.432 57.528 56.100 -0.005 0.000 0.975 275 R CB -1.378 29.004 30.300 0.136 0.000 0.866 275 R HN 0.355 nan 8.270 nan 0.000 0.446 276 G N 1.595 110.363 108.800 -0.055 0.000 2.446 276 G HA2 -0.377 3.584 3.960 0.001 0.000 0.217 276 G HA3 -0.377 3.584 3.960 0.001 0.000 0.217 276 G C 1.418 176.267 174.900 -0.085 0.000 1.168 276 G CA 1.074 46.142 45.100 -0.054 0.000 0.771 276 G HN 0.445 nan 8.290 nan 0.000 0.551 277 E N 0.108 120.238 120.200 -0.116 0.000 2.150 277 E HA -0.042 4.309 4.350 0.001 0.000 0.193 277 E C 2.579 179.076 176.600 -0.172 0.000 0.985 277 E CA 0.772 57.090 56.400 -0.136 0.000 0.814 277 E CB -0.317 29.305 29.700 -0.130 0.000 0.752 277 E HN 0.210 nan 8.360 nan 0.000 0.466 278 V N 0.810 120.602 119.914 -0.205 0.000 2.295 278 V HA -0.216 3.905 4.120 0.001 0.000 0.246 278 V C 2.612 178.672 176.094 -0.055 0.000 1.049 278 V CA 2.111 64.316 62.300 -0.157 0.000 1.024 278 V CB -0.582 30.976 31.823 -0.443 0.000 0.648 278 V HN 0.289 nan 8.190 nan 0.000 0.447 279 R N -0.053 120.414 120.500 -0.055 0.000 2.091 279 R HA -0.206 4.135 4.340 0.001 0.000 0.238 279 R C 2.548 178.818 176.300 -0.049 0.000 1.136 279 R CA 1.866 57.958 56.100 -0.013 0.000 0.959 279 R CB -0.276 30.024 30.300 0.000 0.000 0.856 279 R HN 0.411 nan 8.270 nan 0.000 0.437 280 R N 0.633 121.077 120.500 -0.093 0.000 2.070 280 R HA -0.165 4.176 4.340 0.001 0.000 0.233 280 R C 1.975 178.161 176.300 -0.190 0.000 1.137 280 R CA 2.073 58.102 56.100 -0.119 0.000 0.945 280 R CB -0.031 30.197 30.300 -0.120 0.000 0.845 280 R HN 0.116 nan 8.270 nan 0.000 0.430 281 K N -1.068 119.133 120.400 -0.331 0.000 2.057 281 K HA -0.079 4.242 4.320 0.001 0.000 0.206 281 K C 1.453 177.705 176.600 -0.579 0.000 1.050 281 K CA 1.495 57.413 56.287 -0.616 0.000 0.935 281 K CB 0.078 31.884 32.500 -1.157 0.000 0.715 281 K HN 0.145 nan 8.250 nan 0.000 0.439 282 F N -0.757 119.132 119.950 -0.102 0.000 2.728 282 F HA 0.341 4.869 4.527 0.001 0.000 0.314 282 F C 0.631 176.379 175.800 -0.086 0.000 1.094 282 F CA 0.058 57.981 58.000 -0.127 0.000 1.217 282 F CB 0.971 39.867 39.000 -0.173 0.000 1.056 282 F HN 0.065 nan 8.300 nan 0.000 0.577 283 G N 1.409 110.254 108.800 0.075 0.000 2.690 283 G HA2 -0.133 3.828 3.960 0.001 0.000 0.686 283 G HA3 -0.133 3.828 3.960 0.001 0.000 0.686 283 G C -2.065 172.886 174.900 0.085 0.000 1.277 283 G CA -0.601 44.535 45.100 0.061 0.000 0.799 283 G HN -0.068 nan 8.290 nan 0.000 0.613 284 P HA -0.076 nan 4.420 nan 0.000 0.219 284 P C 1.294 178.678 177.300 0.140 0.000 1.146 284 P CA 1.811 64.969 63.100 0.096 0.000 0.808 284 P CB 0.070 31.816 31.700 0.075 0.000 0.779 285 E N 0.214 120.490 120.200 0.126 0.000 2.153 285 E HA -0.131 4.220 4.350 0.001 0.000 0.194 285 E C 2.168 178.971 176.600 0.338 0.000 0.988 285 E CA 1.130 57.638 56.400 0.180 0.000 0.811 285 E CB -0.619 29.063 29.700 -0.030 0.000 0.746 285 E HN 0.313 nan 8.360 nan 0.000 0.466 286 R N 0.127 120.769 120.500 0.237 0.000 2.189 286 R HA 0.083 4.424 4.340 0.001 0.000 0.203 286 R C 2.122 178.558 176.300 0.226 0.000 1.012 286 R CA 0.454 56.677 56.100 0.206 0.000 1.015 286 R CB 0.067 30.378 30.300 0.018 0.000 0.938 286 R HN 0.213 nan 8.270 nan 0.000 0.472 287 E N 1.651 121.972 120.200 0.202 0.000 2.118 287 E HA -0.253 4.098 4.350 0.001 0.000 0.195 287 E C 1.998 178.768 176.600 0.284 0.000 0.992 287 E CA 1.088 57.619 56.400 0.218 0.000 0.804 287 E CB 0.087 29.875 29.700 0.146 0.000 0.741 287 E HN 0.155 nan 8.360 nan 0.000 0.458 288 R N 0.445 121.104 120.500 0.265 0.000 2.096 288 R HA -0.185 4.156 4.340 0.001 0.000 0.240 288 R C 2.491 178.990 176.300 0.331 0.000 1.139 288 R CA 1.734 58.000 56.100 0.277 0.000 0.952 288 R CB -0.336 30.138 30.300 0.290 0.000 0.854 288 R HN 0.248 nan 8.270 nan 0.000 0.436 289 L N -0.687 120.756 121.223 0.367 0.000 2.093 289 L HA -0.178 4.163 4.340 0.001 0.000 0.208 289 L C 2.446 179.682 176.870 0.610 0.000 1.085 289 L CA 1.140 56.264 54.840 0.474 0.000 0.755 289 L CB -0.674 41.621 42.059 0.393 0.000 0.904 289 L HN 0.269 nan 8.230 nan 0.000 0.435 290 Y N 0.790 121.268 120.300 0.297 0.000 2.274 290 Y HA -0.171 4.380 4.550 0.002 0.000 0.290 290 Y C 2.104 178.198 175.900 0.323 0.000 1.145 290 Y CA 1.369 59.595 58.100 0.210 0.000 1.203 290 Y CB 0.006 38.553 38.460 0.145 0.000 0.984 290 Y HN 0.053 nan 8.280 nan 0.000 0.533 291 L N -0.693 120.715 121.223 0.308 0.000 2.607 291 L HA 0.256 4.597 4.340 0.001 0.000 0.228 291 L C 1.306 178.292 176.870 0.194 0.000 1.123 291 L CA 0.053 54.988 54.840 0.158 0.000 0.890 291 L CB -0.398 41.760 42.059 0.164 0.000 1.103 291 L HN 0.151 nan 8.230 nan 0.000 0.468 292 G N -1.837 107.182 108.800 0.365 0.000 2.502 292 G HA2 0.143 4.104 3.960 0.001 0.000 0.305 292 G HA3 0.143 4.104 3.960 0.001 0.000 0.305 292 G C -1.095 174.122 174.900 0.529 0.000 1.190 292 G CA -0.308 45.035 45.100 0.404 0.000 0.933 292 G HN 0.054 nan 8.290 nan 0.000 0.503 293 H N 0.171 119.453 119.070 0.354 0.000 2.552 293 H HA 0.249 4.806 4.556 0.001 0.000 0.311 293 H C -1.031 174.651 175.328 0.590 0.000 1.071 293 H CA -0.462 55.806 56.048 0.365 0.000 1.307 293 H CB 0.659 30.513 29.762 0.152 0.000 1.416 293 H HN 0.322 nan 8.280 nan 0.000 0.464 294 W N 4.580 125.914 121.300 0.058 0.000 2.469 294 W HA 0.222 4.882 4.660 0.001 0.000 0.320 294 W C 0.301 176.875 176.519 0.093 0.000 1.086 294 W CA -1.085 56.391 57.345 0.219 0.000 1.211 294 W CB 0.526 30.124 29.460 0.230 0.000 1.298 294 W HN 0.530 nan 8.180 nan 0.000 0.525 295 N N 2.270 121.235 118.700 0.442 0.000 2.444 295 N HA 0.447 5.188 4.740 0.001 0.000 0.262 295 N C -1.303 174.368 175.510 0.269 0.000 0.974 295 N CA -0.282 52.956 53.050 0.314 0.000 0.933 295 N CB 1.815 40.464 38.487 0.270 0.000 1.137 295 N HN 0.366 nan 8.380 nan 0.000 0.498 296 C N 1.733 121.073 119.300 0.067 0.000 2.547 296 C HA 0.685 5.146 4.460 0.001 0.000 0.313 296 C C -0.594 174.348 174.990 -0.079 0.000 1.191 296 C CA -0.093 58.861 59.018 -0.108 0.000 1.474 296 C CB 1.035 28.293 27.740 -0.805 0.000 2.081 296 C HN 0.802 nan 8.230 nan 0.000 0.476 297 S N 4.766 120.507 115.700 0.068 0.000 2.500 297 S HA 0.640 5.111 4.470 0.001 0.000 0.301 297 S C -0.806 173.905 174.600 0.185 0.000 1.092 297 S CA -0.363 57.928 58.200 0.151 0.000 1.030 297 S CB 1.138 64.468 63.200 0.217 0.000 1.031 297 S HN 0.663 nan 8.310 nan 0.000 0.483 298 I N 3.023 123.758 120.570 0.274 0.000 2.315 298 I HA 0.296 4.467 4.170 0.001 0.000 0.291 298 I C -0.310 176.143 176.117 0.560 0.000 1.006 298 I CA -0.569 60.955 61.300 0.373 0.000 1.265 298 I CB 0.631 38.867 38.000 0.394 0.000 1.387 298 I HN 0.569 nan 8.210 nan 0.000 0.475 299 F N 10.008 130.334 119.950 0.625 0.000 2.578 299 F HA 0.149 4.677 4.527 0.001 0.000 0.376 299 F C -1.379 174.775 175.800 0.590 0.000 1.085 299 F CA -0.999 57.315 58.000 0.524 0.000 1.260 299 F CB 0.824 39.979 39.000 0.260 0.000 1.095 299 F HN 0.371 nan 8.300 nan 0.000 0.573 300 P HA -0.073 nan 4.420 nan 0.000 0.216 300 P C -0.193 177.228 177.300 0.202 0.000 1.154 300 P CA 1.133 63.935 63.100 -0.497 0.000 0.857 300 P CB 0.185 31.376 31.700 -0.849 0.000 0.787 301 N N -1.147 117.702 118.700 0.248 0.000 2.433 301 N HA 0.080 4.821 4.740 0.001 0.000 0.270 301 N C -1.016 174.645 175.510 0.252 0.000 1.354 301 N CA -0.487 52.819 53.050 0.427 0.000 0.889 301 N CB -0.975 37.708 38.487 0.327 0.000 1.285 301 N HN 0.004 nan 8.380 nan 0.000 0.503 302 C N 0.477 119.890 119.300 0.187 0.000 2.382 302 C HA 0.852 5.313 4.460 0.001 0.000 0.327 302 C C -0.439 174.546 174.990 -0.009 0.000 1.250 302 C CA 0.128 59.109 59.018 -0.062 0.000 1.707 302 C CB 0.469 28.226 27.740 0.028 0.000 2.272 302 C HN 0.450 nan 8.230 nan 0.000 0.506 303 S N 3.326 118.868 115.700 -0.263 0.000 2.595 303 S HA 0.922 5.393 4.470 0.001 0.000 0.281 303 S C -1.129 173.343 174.600 -0.214 0.000 1.117 303 S CA -0.410 57.721 58.200 -0.115 0.000 0.873 303 S CB 1.569 64.785 63.200 0.028 0.000 1.108 303 S HN 0.900 nan 8.310 nan 0.000 0.477 304 F N -0.650 119.275 119.950 -0.042 0.000 2.668 304 F HA 0.742 5.269 4.527 0.001 0.000 0.309 304 F C -2.116 173.828 175.800 0.240 0.000 1.117 304 F CA -1.388 56.637 58.000 0.042 0.000 0.951 304 F CB 0.834 39.920 39.000 0.144 0.000 1.323 304 F HN 0.346 nan 8.300 nan 0.000 0.451 305 L N 3.301 124.752 121.223 0.380 0.000 2.276 305 L HA 0.356 4.697 4.340 0.001 0.000 0.286 305 L C -1.166 175.847 176.870 0.238 0.000 1.024 305 L CA -0.937 54.029 54.840 0.211 0.000 0.826 305 L CB 1.175 43.273 42.059 0.065 0.000 1.211 305 L HN 0.734 nan 8.230 nan 0.000 0.422 306 Y N 3.133 123.511 120.300 0.129 0.000 2.359 306 Y HA 0.531 5.082 4.550 0.001 0.000 0.334 306 Y C 0.954 176.749 175.900 -0.175 0.000 1.058 306 Y CA 1.010 59.083 58.100 -0.045 0.000 1.244 306 Y CB 1.163 39.348 38.460 -0.460 0.000 1.187 306 Y HN 0.780 nan 8.280 nan 0.000 0.510 307 G N 3.293 111.707 108.800 -0.643 0.000 2.953 307 G HA2 -0.316 3.645 3.960 0.001 0.000 0.201 307 G HA3 -0.316 3.645 3.960 0.001 0.000 0.201 307 G C 1.048 175.945 174.900 -0.005 0.000 1.501 307 G CA 0.183 45.132 45.100 -0.251 0.000 1.094 307 G HN 0.567 nan 8.290 nan 0.000 0.555 308 T N 1.473 116.074 114.554 0.079 0.000 2.904 308 T HA 0.101 4.452 4.350 0.001 0.000 0.267 308 T C 1.201 176.057 174.700 0.259 0.000 1.059 308 T CA 1.544 63.820 62.100 0.294 0.000 1.137 308 T CB -0.279 68.838 68.868 0.415 0.000 0.879 308 T HN 0.805 nan 8.240 nan 0.000 0.467 309 N N 0.675 119.428 118.700 0.087 0.000 2.862 309 N HA -0.113 4.627 4.740 0.001 0.000 0.248 309 N C -0.224 175.354 175.510 0.113 0.000 1.116 309 N CA 0.772 53.840 53.050 0.030 0.000 0.727 309 N CB -1.887 36.491 38.487 -0.182 0.000 1.083 309 N HN 0.420 nan 8.380 nan 0.000 0.555 310 T N -0.372 114.286 114.554 0.174 0.000 2.922 310 T HA 0.646 4.997 4.350 0.001 0.000 0.285 310 T C -0.869 174.008 174.700 0.296 0.000 1.005 310 T CA -0.281 61.943 62.100 0.207 0.000 1.061 310 T CB 0.505 69.493 68.868 0.199 0.000 1.007 310 T HN 0.182 nan 8.240 nan 0.000 0.502 311 F N 3.323 123.331 119.950 0.097 0.000 2.607 311 F HA 0.582 5.109 4.527 0.001 0.000 0.322 311 F C -0.814 174.994 175.800 0.013 0.000 1.176 311 F CA -0.764 57.303 58.000 0.111 0.000 0.977 311 F CB 1.341 40.414 39.000 0.123 0.000 1.242 311 F HN 0.467 nan 8.300 nan 0.000 0.465 312 K N 7.184 127.315 120.400 -0.448 0.000 2.371 312 K HA 0.701 5.022 4.320 0.001 0.000 0.251 312 K C -1.409 174.664 176.600 -0.879 0.000 0.934 312 K CA -0.855 55.025 56.287 -0.678 0.000 0.798 312 K CB 2.928 34.694 32.500 -1.222 0.000 1.204 312 K HN 0.551 nan 8.250 nan 0.000 0.427 313 I N 1.515 121.664 120.570 -0.702 0.000 2.466 313 I HA 0.332 4.503 4.170 0.001 0.000 0.289 313 I C -1.160 174.498 176.117 -0.765 0.000 1.026 313 I CA -0.812 60.057 61.300 -0.718 0.000 1.078 313 I CB 1.424 39.130 38.000 -0.490 0.000 1.249 313 I HN 0.512 nan 8.210 nan 0.000 0.429 314 W N 5.010 126.167 121.300 -0.238 0.000 2.289 314 W HA 0.377 5.038 4.660 0.001 0.000 0.342 314 W C 0.040 176.459 176.519 -0.167 0.000 0.958 314 W CA -0.634 56.652 57.345 -0.099 0.000 1.492 314 W CB 0.122 29.642 29.460 0.100 0.000 1.336 314 W HN 0.340 nan 8.180 nan 0.000 0.371 315 H N 4.071 123.170 119.070 0.048 0.000 2.723 315 H HA 0.165 4.722 4.556 0.002 0.000 0.294 315 H C -1.938 173.302 175.328 -0.146 0.000 1.079 315 H CA -2.145 53.800 56.048 -0.171 0.000 1.411 315 H CB 0.588 30.113 29.762 -0.395 0.000 1.439 315 H HN 0.067 nan 8.280 nan 0.000 0.474 316 P HA 0.112 nan 4.420 nan 0.000 0.271 316 P C -0.106 177.143 177.300 -0.086 0.000 1.216 316 P CA -0.226 62.843 63.100 -0.051 0.000 0.776 316 P CB 1.116 32.711 31.700 -0.175 0.000 0.881 317 R N 2.134 122.603 120.500 -0.051 0.000 2.738 317 R HA 0.498 4.839 4.340 0.001 0.000 0.280 317 R C 0.433 176.612 176.300 -0.202 0.000 1.456 317 R CA -0.318 55.719 56.100 -0.105 0.000 1.612 317 R CB 0.513 30.768 30.300 -0.075 0.000 1.286 317 R HN 0.887 nan 8.270 nan 0.000 0.660 318 G N 2.227 110.797 108.800 -0.383 0.000 2.796 318 G HA2 -0.209 3.752 3.960 0.001 0.000 0.571 318 G HA3 -0.209 3.752 3.960 0.001 0.000 0.571 318 G C -2.040 172.250 174.900 -1.018 0.000 1.370 318 G CA -0.881 43.641 45.100 -0.964 0.000 0.856 318 G HN 0.202 nan 8.290 nan 0.000 0.538 319 P HA 0.030 nan 4.420 nan 0.000 0.233 319 P C 0.661 177.800 177.300 -0.268 0.000 1.167 319 P CA 1.526 64.272 63.100 -0.589 0.000 0.770 319 P CB -0.148 31.182 31.700 -0.617 0.000 0.837 320 H N -1.983 116.913 119.070 -0.290 0.000 2.785 320 H HA 0.410 4.967 4.556 0.001 0.000 0.268 320 H C 0.287 175.609 175.328 -0.011 0.000 1.153 320 H CA -0.407 55.500 56.048 -0.235 0.000 1.111 320 H CB 1.051 30.548 29.762 -0.442 0.000 1.633 320 H HN 0.131 nan 8.280 nan 0.000 0.576 321 E N 1.802 122.040 120.200 0.064 0.000 2.392 321 E HA 0.438 4.789 4.350 0.001 0.000 0.279 321 E C -1.351 175.305 176.600 0.093 0.000 0.964 321 E CA -0.907 55.553 56.400 0.100 0.000 0.777 321 E CB 2.467 32.213 29.700 0.077 0.000 1.249 321 E HN 0.287 nan 8.360 nan 0.000 0.449 322 I N -0.916 119.733 120.570 0.132 0.000 3.042 322 I HA 0.616 4.787 4.170 0.001 0.000 0.310 322 I C -0.964 175.250 176.117 0.161 0.000 1.117 322 I CA -0.895 60.502 61.300 0.160 0.000 1.003 322 I CB 2.192 40.346 38.000 0.255 0.000 1.228 322 I HN 0.487 nan 8.210 nan 0.000 0.443 323 E N 2.906 123.208 120.200 0.170 0.000 2.129 323 E HA 0.502 4.852 4.350 0.001 0.000 0.268 323 E C -1.592 175.221 176.600 0.354 0.000 0.900 323 E CA -0.763 55.790 56.400 0.255 0.000 0.755 323 E CB 2.013 31.854 29.700 0.235 0.000 1.117 323 E HN 0.571 nan 8.360 nan 0.000 0.410 324 V N 5.057 125.194 119.914 0.373 0.000 2.406 324 V HA 0.230 4.351 4.120 0.001 0.000 0.272 324 V C -0.640 175.706 176.094 0.420 0.000 1.043 324 V CA -0.531 61.967 62.300 0.330 0.000 0.915 324 V CB 0.097 32.121 31.823 0.336 0.000 0.988 324 V HN 0.621 nan 8.190 nan 0.000 0.466 325 W N 2.583 123.841 121.300 -0.071 0.000 2.429 325 W HA 0.627 5.288 4.660 0.001 0.000 0.314 325 W C 0.193 176.618 176.519 -0.157 0.000 1.062 325 W CA -0.914 56.384 57.345 -0.079 0.000 1.211 325 W CB 1.462 30.952 29.460 0.051 0.000 1.305 325 W HN 0.391 nan 8.180 nan 0.000 0.476 326 T N 4.227 118.754 114.554 -0.044 0.000 2.815 326 T HA 0.461 4.812 4.350 0.001 0.000 0.289 326 T C -0.855 173.772 174.700 -0.122 0.000 1.000 326 T CA -0.375 61.714 62.100 -0.019 0.000 0.958 326 T CB 0.582 69.459 68.868 0.014 0.000 0.944 326 T HN 0.062 nan 8.240 nan 0.000 0.442 327 Y N 0.740 121.122 120.300 0.136 0.000 2.618 327 Y HA 0.613 5.164 4.550 0.002 0.000 0.326 327 Y C 1.093 177.025 175.900 0.054 0.000 1.168 327 Y CA -1.023 57.116 58.100 0.065 0.000 1.269 327 Y CB 1.285 39.763 38.460 0.030 0.000 1.388 327 Y HN 0.381 nan 8.280 nan 0.000 0.528 328 T N 2.399 117.036 114.554 0.139 0.000 2.824 328 T HA 0.457 4.808 4.350 0.001 0.000 0.280 328 T C -0.973 173.672 174.700 -0.091 0.000 0.995 328 T CA -0.530 61.584 62.100 0.023 0.000 1.009 328 T CB 0.736 69.575 68.868 -0.048 0.000 0.955 328 T HN 0.445 nan 8.240 nan 0.000 0.452 329 I N 4.716 125.229 120.570 -0.095 0.000 2.354 329 I HA 0.662 4.833 4.170 0.001 0.000 0.292 329 I C -0.707 175.249 176.117 -0.268 0.000 0.989 329 I CA -0.726 60.446 61.300 -0.212 0.000 1.188 329 I CB 0.510 38.451 38.000 -0.097 0.000 1.342 329 I HN 0.466 nan 8.210 nan 0.000 0.457 330 V N 4.531 124.243 119.914 -0.337 0.000 3.007 330 V HA 0.704 4.825 4.120 0.001 0.000 0.311 330 V C -2.848 173.040 176.094 -0.344 0.000 1.120 330 V CA -2.391 59.668 62.300 -0.400 0.000 0.980 330 V CB 1.409 33.000 31.823 -0.387 0.000 1.033 330 V HN 0.555 nan 8.190 nan 0.000 0.429 331 P HA 0.363 nan 4.420 nan 0.000 0.271 331 P C 0.503 177.652 177.300 -0.250 0.000 1.220 331 P CA -0.093 62.861 63.100 -0.244 0.000 0.768 331 P CB 0.560 32.022 31.700 -0.397 0.000 0.848 332 R N 1.865 122.283 120.500 -0.136 0.000 2.117 332 R HA -0.149 4.192 4.340 0.001 0.000 0.243 332 R C 0.638 176.902 176.300 -0.060 0.000 1.143 332 R CA 1.524 57.556 56.100 -0.113 0.000 0.968 332 R CB -0.366 29.896 30.300 -0.064 0.000 0.863 332 R HN 0.522 nan 8.270 nan 0.000 0.444 333 D N 0.091 120.509 120.400 0.030 0.000 2.340 333 D HA 0.095 4.736 4.640 0.001 0.000 0.220 333 D C 0.198 176.575 176.300 0.128 0.000 1.039 333 D CA 0.213 54.304 54.000 0.152 0.000 0.866 333 D CB 0.096 41.109 40.800 0.354 0.000 0.913 333 D HN 0.189 nan 8.370 nan 0.000 0.523 334 A N 0.747 123.444 122.820 -0.205 0.000 2.406 334 A HA 0.112 4.433 4.320 0.001 0.000 0.243 334 A C 0.246 177.791 177.584 -0.064 0.000 1.082 334 A CA -0.285 51.594 52.037 -0.262 0.000 0.786 334 A CB 0.353 19.047 19.000 -0.509 0.000 1.029 334 A HN -0.092 nan 8.150 nan 0.000 0.495 335 D N 1.662 122.066 120.400 0.006 0.000 2.382 335 D HA 0.227 4.868 4.640 0.001 0.000 0.240 335 D C -1.479 174.800 176.300 -0.035 0.000 1.146 335 D CA -1.244 52.761 54.000 0.009 0.000 0.897 335 D CB 0.193 41.016 40.800 0.038 0.000 1.197 335 D HN 0.187 nan 8.370 nan 0.000 0.432 336 P HA -0.196 nan 4.420 nan 0.000 0.216 336 P C 0.956 178.227 177.300 -0.047 0.000 1.153 336 P CA 1.881 64.951 63.100 -0.049 0.000 0.858 336 P CB 0.157 31.835 31.700 -0.036 0.000 0.789 337 A N -1.153 121.653 122.820 -0.025 0.000 1.933 337 A HA -0.178 4.143 4.320 0.001 0.000 0.218 337 A C 2.243 179.814 177.584 -0.022 0.000 1.175 337 A CA 2.361 54.387 52.037 -0.017 0.000 0.628 337 A CB -1.813 17.189 19.000 0.003 0.000 0.814 337 A HN 0.167 nan 8.150 nan 0.000 0.444 338 T N 0.014 114.557 114.554 -0.019 0.000 2.777 338 T HA -0.116 4.235 4.350 0.001 0.000 0.266 338 T C 1.923 176.561 174.700 -0.104 0.000 1.040 338 T CA 1.672 63.757 62.100 -0.025 0.000 1.141 338 T CB -0.190 68.682 68.868 0.006 0.000 0.868 338 T HN 0.549 nan 8.240 nan 0.000 0.444 339 K N 1.079 121.396 120.400 -0.139 0.000 2.032 339 K HA -0.053 4.268 4.320 0.001 0.000 0.209 339 K C 2.775 179.285 176.600 -0.151 0.000 1.048 339 K CA 1.450 57.625 56.287 -0.187 0.000 0.927 339 K CB -0.242 32.151 32.500 -0.178 0.000 0.712 339 K HN 0.135 nan 8.250 nan 0.000 0.441 340 S N 1.007 116.643 115.700 -0.106 0.000 2.370 340 S HA -0.180 4.291 4.470 0.001 0.000 0.226 340 S C 1.883 176.431 174.600 -0.087 0.000 1.033 340 S CA 1.482 59.629 58.200 -0.088 0.000 1.011 340 S CB -0.161 63.001 63.200 -0.064 0.000 0.852 340 S HN 0.226 nan 8.310 nan 0.000 0.457 341 M N 1.470 121.025 119.600 -0.076 0.000 2.132 341 M HA 0.093 4.574 4.480 0.001 0.000 0.263 341 M C 1.683 177.912 176.300 -0.119 0.000 1.065 341 M CA 1.384 56.643 55.300 -0.069 0.000 1.122 341 M CB -0.518 32.071 32.600 -0.018 0.000 1.365 341 M HN 0.240 nan 8.290 nan 0.000 0.411 342 I N -0.419 120.066 120.570 -0.143 0.000 2.208 342 I HA -0.352 3.819 4.170 0.001 0.000 0.245 342 I C 2.540 178.539 176.117 -0.197 0.000 1.097 342 I CA 1.749 62.928 61.300 -0.202 0.000 1.363 342 I CB -0.590 37.203 38.000 -0.344 0.000 1.051 342 I HN 0.500 nan 8.210 nan 0.000 0.413 343 Q N 1.036 120.742 119.800 -0.157 0.000 2.046 343 Q HA -0.211 4.129 4.340 0.001 0.000 0.200 343 Q C 2.408 178.347 176.000 -0.101 0.000 0.975 343 Q CA 1.440 57.173 55.803 -0.116 0.000 0.836 343 Q CB 0.022 28.698 28.738 -0.104 0.000 0.896 343 Q HN 0.391 nan 8.270 nan 0.000 0.428 344 R N -0.001 120.434 120.500 -0.107 0.000 2.083 344 R HA -0.144 4.197 4.340 0.001 0.000 0.237 344 R C 2.236 178.465 176.300 -0.119 0.000 1.137 344 R CA 1.544 57.589 56.100 -0.093 0.000 0.951 344 R CB -0.118 30.135 30.300 -0.078 0.000 0.851 344 R HN 0.355 nan 8.270 nan 0.000 0.434 345 E N 0.367 120.434 120.200 -0.221 0.000 2.072 345 E HA -0.111 4.240 4.350 0.001 0.000 0.190 345 E C 2.033 178.515 176.600 -0.197 0.000 0.982 345 E CA 1.120 57.327 56.400 -0.322 0.000 0.803 345 E CB -0.170 29.050 29.700 -0.799 0.000 0.755 345 E HN 0.323 nan 8.360 nan 0.000 0.453 346 A N 1.392 124.124 122.820 -0.147 0.000 1.902 346 A HA -0.152 4.168 4.320 0.001 0.000 0.217 346 A C 2.290 179.951 177.584 0.129 0.000 1.181 346 A CA 1.159 53.243 52.037 0.079 0.000 0.623 346 A CB -0.608 18.433 19.000 0.069 0.000 0.818 346 A HN 0.155 nan 8.150 nan 0.000 0.443 347 I N -1.487 119.109 120.570 0.044 0.000 2.353 347 I HA -0.152 4.019 4.170 0.001 0.000 0.248 347 I C 2.657 178.798 176.117 0.040 0.000 1.119 347 I CA 1.261 62.591 61.300 0.050 0.000 1.417 347 I CB -0.270 37.733 38.000 0.005 0.000 1.078 347 I HN 0.334 nan 8.210 nan 0.000 0.421 348 R N 0.746 121.250 120.500 0.008 0.000 2.148 348 R HA -0.150 4.191 4.340 0.001 0.000 0.227 348 R C 2.249 178.545 176.300 -0.007 0.000 1.103 348 R CA 1.989 58.084 56.100 -0.007 0.000 0.983 348 R CB -0.084 30.202 30.300 -0.024 0.000 0.874 348 R HN 0.483 nan 8.270 nan 0.000 0.451 349 T N -3.354 111.220 114.554 0.033 0.000 2.983 349 T HA 0.062 4.413 4.350 0.001 0.000 0.250 349 T C 1.189 175.735 174.700 -0.256 0.000 1.037 349 T CA 0.419 62.495 62.100 -0.039 0.000 1.142 349 T CB 0.045 69.014 68.868 0.167 0.000 0.876 349 T HN 0.152 nan 8.240 nan 0.000 0.455 350 F N 1.406 121.418 119.950 0.105 0.000 2.781 350 F HA 0.562 5.090 4.527 0.002 0.000 0.322 350 F C 1.576 177.457 175.800 0.136 0.000 1.108 350 F CA -1.186 56.910 58.000 0.159 0.000 1.179 350 F CB 0.551 39.691 39.000 0.234 0.000 1.072 350 F HN 0.338 nan 8.300 nan 0.000 0.545 351 G N -0.228 108.674 108.800 0.170 0.000 2.508 351 G HA2 0.181 4.142 3.960 0.001 0.000 0.278 351 G HA3 0.181 4.142 3.960 0.001 0.000 0.278 351 G C 1.011 175.965 174.900 0.091 0.000 1.389 351 G CA 0.088 45.256 45.100 0.115 0.000 1.050 351 G HN 0.073 nan 8.290 nan 0.000 0.522 352 T N 0.425 115.015 114.554 0.060 0.000 2.881 352 T HA 0.028 4.379 4.350 0.001 0.000 0.270 352 T C 1.799 176.524 174.700 0.042 0.000 1.068 352 T CA 1.473 63.608 62.100 0.057 0.000 1.131 352 T CB -0.074 68.814 68.868 0.034 0.000 0.871 352 T HN 0.615 nan 8.240 nan 0.000 0.479 353 A N 1.367 124.201 122.820 0.024 0.000 2.708 353 A HA 0.613 4.934 4.320 0.001 0.000 0.293 353 A C 1.038 178.620 177.584 -0.004 0.000 1.303 353 A CA -0.461 51.582 52.037 0.010 0.000 0.949 353 A CB -0.372 18.629 19.000 0.002 0.000 1.121 353 A HN 0.392 nan 8.150 nan 0.000 0.542 354 G N -0.265 108.531 108.800 -0.006 0.000 2.398 354 G HA2 0.317 4.278 3.960 0.001 0.000 0.246 354 G HA3 0.317 4.278 3.960 0.001 0.000 0.246 354 G C 1.104 175.945 174.900 -0.099 0.000 1.289 354 G CA 0.509 45.572 45.100 -0.062 0.000 0.869 354 G HN 0.584 nan 8.290 nan 0.000 0.543 355 T N 0.916 115.402 114.554 -0.113 0.000 2.881 355 T HA -0.118 4.233 4.350 0.001 0.000 0.270 355 T C 2.012 176.624 174.700 -0.148 0.000 1.068 355 T CA 1.107 63.148 62.100 -0.099 0.000 1.131 355 T CB -0.084 68.743 68.868 -0.068 0.000 0.871 355 T HN 0.175 nan 8.240 nan 0.000 0.479 356 L N 0.330 121.338 121.223 -0.357 0.000 2.262 356 L HA 0.373 4.714 4.340 0.001 0.000 0.197 356 L C 2.737 179.410 176.870 -0.329 0.000 1.073 356 L CA 0.889 55.421 54.840 -0.514 0.000 0.800 356 L CB -0.657 40.732 42.059 -1.117 0.000 0.987 356 L HN 0.109 nan 8.230 nan 0.000 0.470 357 E N -0.036 119.860 120.200 -0.508 0.000 2.118 357 E HA -0.188 4.163 4.350 0.001 0.000 0.195 357 E C 2.150 178.800 176.600 0.084 0.000 0.992 357 E CA 1.637 57.994 56.400 -0.071 0.000 0.804 357 E CB -0.123 29.619 29.700 0.070 0.000 0.741 357 E HN 0.297 nan 8.360 nan 0.000 0.458 358 S N 0.624 116.339 115.700 0.026 0.000 2.442 358 S HA -0.121 4.349 4.470 0.001 0.000 0.236 358 S C 1.096 175.741 174.600 0.075 0.000 1.007 358 S CA 1.049 59.282 58.200 0.055 0.000 0.965 358 S CB -0.287 62.926 63.200 0.023 0.000 0.773 358 S HN 0.380 nan 8.310 nan 0.000 0.504 359 D N 1.476 121.939 120.400 0.105 0.000 2.219 359 D HA -0.061 4.580 4.640 0.001 0.000 0.205 359 D C 1.072 177.429 176.300 0.096 0.000 0.970 359 D CA 0.858 54.916 54.000 0.097 0.000 0.851 359 D CB -0.221 40.651 40.800 0.121 0.000 0.943 359 D HN 0.299 nan 8.370 nan 0.000 0.488 360 D N -0.347 120.152 120.400 0.165 0.000 2.354 360 D HA 0.050 4.691 4.640 0.001 0.000 0.209 360 D C 2.094 178.456 176.300 0.103 0.000 1.015 360 D CA 0.224 54.315 54.000 0.152 0.000 0.867 360 D CB 0.083 41.038 40.800 0.259 0.000 0.933 360 D HN 0.176 nan 8.370 nan 0.000 0.520 361 G N 1.074 109.934 108.800 0.100 0.000 2.440 361 G HA2 -0.298 3.663 3.960 0.001 0.000 0.218 361 G HA3 -0.298 3.663 3.960 0.001 0.000 0.218 361 G C 1.479 176.412 174.900 0.054 0.000 1.154 361 G CA 0.723 45.873 45.100 0.083 0.000 0.767 361 G HN 0.313 nan 8.290 nan 0.000 0.552 362 E N 0.440 120.667 120.200 0.044 0.000 2.107 362 E HA -0.118 4.233 4.350 0.001 0.000 0.191 362 E C 2.302 178.919 176.600 0.027 0.000 0.982 362 E CA 0.751 57.171 56.400 0.033 0.000 0.809 362 E CB -0.049 29.667 29.700 0.027 0.000 0.756 362 E HN 0.276 nan 8.360 nan 0.000 0.459 363 N N 0.339 119.052 118.700 0.023 0.000 2.104 363 N HA -0.175 4.566 4.740 0.001 0.000 0.190 363 N C 1.665 177.163 175.510 -0.020 0.000 1.024 363 N CA 1.347 54.400 53.050 0.004 0.000 0.853 363 N CB -0.174 38.307 38.487 -0.009 0.000 1.008 363 N HN 0.296 nan 8.380 nan 0.000 0.424 364 M N -0.067 119.518 119.600 -0.026 0.000 2.123 364 M HA 0.016 4.497 4.480 0.001 0.000 0.263 364 M C 2.311 178.586 176.300 -0.041 0.000 1.069 364 M CA 0.961 56.216 55.300 -0.075 0.000 1.133 364 M CB -1.321 31.241 32.600 -0.063 0.000 1.356 364 M HN 0.058 nan 8.290 nan 0.000 0.415 365 S N -0.219 115.499 115.700 0.031 0.000 2.387 365 S HA -0.088 4.383 4.470 0.001 0.000 0.226 365 S C 2.224 176.909 174.600 0.141 0.000 1.026 365 S CA 1.698 59.966 58.200 0.113 0.000 0.972 365 S CB -0.148 63.114 63.200 0.104 0.000 0.814 365 S HN 0.483 nan 8.310 nan 0.000 0.477 366 S N 0.676 116.423 115.700 0.077 0.000 2.387 366 S HA 0.095 4.566 4.470 0.001 0.000 0.226 366 S C 2.044 176.685 174.600 0.068 0.000 1.026 366 S CA 1.185 59.429 58.200 0.074 0.000 0.972 366 S CB -0.633 62.591 63.200 0.039 0.000 0.814 366 S HN 0.645 nan 8.310 nan 0.000 0.477 367 A N 0.414 123.262 122.820 0.047 0.000 2.019 367 A HA -0.044 4.277 4.320 0.001 0.000 0.219 367 A C 2.233 179.895 177.584 0.130 0.000 1.164 367 A CA 2.144 54.234 52.037 0.088 0.000 0.644 367 A CB -1.151 17.897 19.000 0.081 0.000 0.805 367 A HN 0.607 nan 8.150 nan 0.000 0.449 368 T N -1.998 112.586 114.554 0.050 0.000 2.781 368 T HA -0.026 4.324 4.350 0.001 0.000 0.252 368 T C 1.663 176.390 174.700 0.046 0.000 1.039 368 T CA 1.373 63.514 62.100 0.069 0.000 1.147 368 T CB -0.408 68.457 68.868 -0.005 0.000 0.865 368 T HN 0.491 nan 8.240 nan 0.000 0.423 369 Y N 0.539 120.876 120.300 0.062 0.000 2.516 369 Y HA 0.154 4.705 4.550 0.001 0.000 0.291 369 Y C 2.034 177.813 175.900 -0.202 0.000 1.131 369 Y CA -0.231 57.867 58.100 -0.003 0.000 1.281 369 Y CB -0.268 38.217 38.460 0.041 0.000 1.013 369 Y HN 0.106 nan 8.280 nan 0.000 0.554 370 I N 0.625 121.173 120.570 -0.035 0.000 2.530 370 I HA -0.312 3.858 4.170 0.001 0.000 0.257 370 I C 1.434 177.375 176.117 -0.293 0.000 1.179 370 I CA 1.485 62.715 61.300 -0.115 0.000 1.440 370 I CB -0.324 37.641 38.000 -0.059 0.000 1.087 370 I HN 0.185 nan 8.210 nan 0.000 0.440 371 N N 0.318 118.727 118.700 -0.485 0.000 2.449 371 N HA -0.068 4.673 4.740 0.001 0.000 0.191 371 N C 1.719 176.339 175.510 -1.484 0.000 1.161 371 N CA 0.126 52.711 53.050 -0.775 0.000 0.863 371 N CB -0.270 37.876 38.487 -0.568 0.000 0.980 371 N HN 0.456 nan 8.380 nan 0.000 0.458 372 R N 1.146 120.828 120.500 -1.365 0.000 2.170 372 R HA -0.057 4.284 4.340 0.001 0.000 0.242 372 R C 0.821 176.852 176.300 -0.447 0.000 1.145 372 R CA 0.920 56.476 56.100 -0.907 0.000 0.984 372 R CB -0.156 29.955 30.300 -0.315 0.000 0.869 372 R HN 0.025 nan 8.270 nan 0.000 0.455 373 G N -0.430 108.145 108.800 -0.376 0.000 2.353 373 G HA2 0.234 4.194 3.960 0.001 0.000 0.284 373 G HA3 0.234 4.194 3.960 0.001 0.000 0.284 373 G C 0.492 175.275 174.900 -0.196 0.000 1.172 373 G CA -0.598 44.374 45.100 -0.212 0.000 0.854 373 G HN 0.115 nan 8.290 nan 0.000 0.485 374 V N 3.934 123.780 119.914 -0.114 0.000 2.427 374 V HA -0.117 4.004 4.120 0.001 0.000 0.248 374 V C 2.396 178.444 176.094 -0.075 0.000 1.051 374 V CA 1.250 63.504 62.300 -0.077 0.000 1.048 374 V CB -0.372 31.434 31.823 -0.028 0.000 0.666 374 V HN 0.682 nan 8.190 nan 0.000 0.456 375 I N 0.106 120.632 120.570 -0.072 0.000 2.252 375 I HA -0.146 4.025 4.170 0.001 0.000 0.245 375 I C 2.513 178.581 176.117 -0.082 0.000 1.102 375 I CA 2.022 63.283 61.300 -0.064 0.000 1.385 375 I CB -1.865 36.103 38.000 -0.053 0.000 1.064 375 I HN 0.336 nan 8.210 nan 0.000 0.414 376 T N 1.857 116.346 114.554 -0.108 0.000 2.746 376 T HA -0.172 4.178 4.350 0.001 0.000 0.267 376 T C 1.815 176.434 174.700 -0.135 0.000 1.039 376 T CA 1.488 63.514 62.100 -0.123 0.000 1.142 376 T CB -0.281 68.494 68.868 -0.154 0.000 0.866 376 T HN 0.470 nan 8.240 nan 0.000 0.444 377 R N 1.261 121.662 120.500 -0.165 0.000 2.276 377 R HA 0.180 4.521 4.340 0.001 0.000 0.203 377 R C 1.427 177.678 176.300 -0.082 0.000 1.017 377 R CA 0.729 56.739 56.100 -0.150 0.000 1.010 377 R CB -0.207 29.965 30.300 -0.213 0.000 0.900 377 R HN 0.229 nan 8.270 nan 0.000 0.469 378 N N 1.080 119.737 118.700 -0.071 0.000 2.322 378 N HA 0.045 4.786 4.740 0.001 0.000 0.194 378 N C 0.354 175.827 175.510 -0.061 0.000 1.126 378 N CA 0.507 53.527 53.050 -0.049 0.000 0.845 378 N CB 0.923 39.390 38.487 -0.033 0.000 0.976 378 N HN 0.366 nan 8.380 nan 0.000 0.475 379 G N 0.222 108.975 108.800 -0.079 0.000 2.535 379 G HA2 0.490 4.451 3.960 0.001 0.000 0.282 379 G HA3 0.490 4.451 3.960 0.001 0.000 0.282 379 G C 0.036 174.871 174.900 -0.108 0.000 1.350 379 G CA -0.345 44.703 45.100 -0.087 0.000 1.039 379 G HN 0.103 nan 8.290 nan 0.000 0.509 380 R N -1.558 118.871 120.500 -0.119 0.000 2.855 380 R HA 0.531 4.872 4.340 0.001 0.000 0.266 380 R C -0.818 175.382 176.300 -0.165 0.000 1.034 380 R CA -0.825 55.185 56.100 -0.151 0.000 0.944 380 R CB 2.073 32.294 30.300 -0.130 0.000 1.219 380 R HN 0.392 nan 8.270 nan 0.000 0.474 381 M N 0.923 120.395 119.600 -0.212 0.000 2.465 381 M HA 0.339 4.820 4.480 0.001 0.000 0.316 381 M C -0.680 175.507 176.300 -0.188 0.000 1.121 381 M CA -0.817 54.356 55.300 -0.211 0.000 0.934 381 M CB 2.152 34.568 32.600 -0.308 0.000 1.692 381 M HN 0.419 nan 8.290 nan 0.000 0.444 382 N N 1.215 119.826 118.700 -0.149 0.000 2.400 382 N HA 0.358 5.099 4.740 0.001 0.000 0.288 382 N C -1.014 174.405 175.510 -0.151 0.000 1.024 382 N CA -0.023 52.944 53.050 -0.138 0.000 0.894 382 N CB 1.427 39.844 38.487 -0.118 0.000 1.173 382 N HN 0.754 nan 8.380 nan 0.000 0.487 383 S N 0.804 116.418 115.700 -0.145 0.000 2.526 383 S HA 0.062 4.533 4.470 0.001 0.000 0.220 383 S C 0.700 175.216 174.600 -0.139 0.000 1.159 383 S CA -0.517 57.578 58.200 -0.176 0.000 1.196 383 S CB -0.571 62.586 63.200 -0.072 0.000 1.225 383 S HN 0.588 nan 8.310 nan 0.000 0.432 384 T N -1.623 112.844 114.554 -0.145 0.000 3.086 384 T HA 0.320 4.671 4.350 0.001 0.000 0.250 384 T C 0.651 175.271 174.700 -0.133 0.000 1.074 384 T CA -0.386 61.647 62.100 -0.112 0.000 0.988 384 T CB -0.370 68.438 68.868 -0.100 0.000 0.988 384 T HN 0.568 nan 8.240 nan 0.000 0.530 385 M N 2.289 121.768 119.600 -0.201 0.000 2.303 385 M HA 0.345 4.826 4.480 0.001 0.000 0.350 385 M C 1.308 177.492 176.300 -0.193 0.000 1.518 385 M CA 1.542 56.693 55.300 -0.249 0.000 1.070 385 M CB -0.333 32.040 32.600 -0.378 0.000 1.910 385 M HN 0.637 nan 8.290 nan 0.000 0.458 386 G N 3.542 112.233 108.800 -0.180 0.000 2.157 386 G HA2 -0.223 3.738 3.960 0.001 0.000 0.248 386 G HA3 -0.223 3.738 3.960 0.001 0.000 0.248 386 G C -0.124 174.776 174.900 -0.001 0.000 0.979 386 G CA 0.150 45.171 45.100 -0.132 0.000 0.650 386 G HN 1.097 nan 8.290 nan 0.000 0.529 387 V N -1.646 118.266 119.914 -0.002 0.000 2.694 387 V HA 0.531 4.652 4.120 0.001 0.000 0.306 387 V C 1.800 177.907 176.094 0.021 0.000 1.054 387 V CA 0.876 63.185 62.300 0.015 0.000 1.161 387 V CB 0.836 32.651 31.823 -0.013 0.000 0.916 387 V HN 2.237 nan 8.190 nan 0.000 0.490 388 G N 2.892 111.644 108.800 -0.079 0.000 2.205 388 G HA2 -0.308 3.653 3.960 0.001 0.000 0.261 388 G HA3 -0.308 3.653 3.960 0.001 0.000 0.261 388 G C -0.082 174.423 174.900 -0.658 0.000 0.980 388 G CA 0.710 45.653 45.100 -0.261 0.000 0.632 388 G HN 1.113 nan 8.290 nan 0.000 0.533 389 Y N 2.333 122.280 120.300 -0.590 0.000 2.883 389 Y HA 0.508 5.059 4.550 0.001 0.000 0.385 389 Y C 0.798 176.026 175.900 -1.120 0.000 1.067 389 Y CA 0.176 57.633 58.100 -1.071 0.000 1.682 389 Y CB 0.139 38.310 38.460 -0.482 0.000 1.606 389 Y HN 0.619 nan 8.280 nan 0.000 0.508 390 E N -1.269 118.320 120.200 -1.018 0.000 2.401 390 E HA 0.776 5.126 4.350 0.001 0.000 0.280 390 E C -0.733 175.801 176.600 -0.109 0.000 1.039 390 E CA -1.187 55.020 56.400 -0.322 0.000 0.814 390 E CB 1.868 31.501 29.700 -0.111 0.000 1.275 390 E HN 0.211 nan 8.360 nan 0.000 0.448 391 G N 0.565 109.502 108.800 0.229 0.000 2.315 391 G HA2 0.366 4.327 3.960 0.001 0.000 0.294 391 G HA3 0.366 4.327 3.960 0.001 0.000 0.294 391 G C -3.182 171.932 174.900 0.357 0.000 1.300 391 G CA -0.701 44.557 45.100 0.264 0.000 0.843 391 G HN 0.430 nan 8.290 nan 0.000 0.527 392 P HA 0.135 nan 4.420 nan 0.000 0.268 392 P C -0.929 176.532 177.300 0.269 0.000 1.205 392 P CA 0.262 63.473 63.100 0.186 0.000 0.771 392 P CB 0.805 32.566 31.700 0.101 0.000 0.858 393 H N 4.428 123.501 119.070 0.006 0.000 2.529 393 H HA 0.263 4.820 4.556 0.002 0.000 0.348 393 H C -1.542 173.735 175.328 -0.085 0.000 1.152 393 H CA -2.110 53.836 56.048 -0.171 0.000 1.202 393 H CB 2.126 31.649 29.762 -0.398 0.000 1.562 393 H HN 0.219 nan 8.280 nan 0.000 0.515 394 P HA -0.052 nan 4.420 nan 0.000 0.229 394 P C 0.899 178.189 177.300 -0.016 0.000 1.160 394 P CA 0.548 63.598 63.100 -0.083 0.000 0.777 394 P CB 0.915 32.533 31.700 -0.137 0.000 0.814 395 V N -2.378 117.607 119.914 0.118 0.000 2.911 395 V HA 0.084 4.205 4.120 0.001 0.000 0.237 395 V C 0.604 176.555 176.094 -0.239 0.000 1.156 395 V CA 0.425 62.676 62.300 -0.082 0.000 1.180 395 V CB -0.669 31.008 31.823 -0.243 0.000 0.932 395 V HN -0.145 nan 8.190 nan 0.000 0.483 396 Y N 3.149 123.375 120.300 -0.124 0.000 2.359 396 Y HA 0.440 4.992 4.550 0.003 0.000 0.334 396 Y C -2.024 173.733 175.900 -0.237 0.000 1.058 396 Y CA -3.547 54.339 58.100 -0.358 0.000 1.244 396 Y CB -0.115 38.200 38.460 -0.242 0.000 1.187 396 Y HN 0.172 nan 8.280 nan 0.000 0.510 397 P HA 0.372 nan 4.420 nan 0.000 0.276 397 P C 0.514 177.942 177.300 0.213 0.000 1.244 397 P CA 0.415 63.482 63.100 -0.056 0.000 0.801 397 P CB 1.675 33.245 31.700 -0.217 0.000 1.006 398 G N 1.123 110.070 108.800 0.246 0.000 2.481 398 G HA2 -0.145 3.815 3.960 0.001 0.000 0.230 398 G HA3 -0.145 3.815 3.960 0.001 0.000 0.230 398 G C -1.133 173.912 174.900 0.241 0.000 1.210 398 G CA -0.426 44.892 45.100 0.363 0.000 0.936 398 G HN 0.578 nan 8.290 nan 0.000 0.583 399 I N 1.023 121.690 120.570 0.160 0.000 2.498 399 I HA 0.583 4.754 4.170 0.001 0.000 0.290 399 I C 0.134 176.225 176.117 -0.044 0.000 1.032 399 I CA -0.679 60.578 61.300 -0.072 0.000 1.073 399 I CB 1.379 39.051 38.000 -0.545 0.000 1.251 399 I HN 0.481 nan 8.210 nan 0.000 0.426 400 V N 4.832 124.767 119.914 0.035 0.000 2.495 400 V HA 0.737 4.858 4.120 0.001 0.000 0.298 400 V C 0.525 176.752 176.094 0.221 0.000 1.031 400 V CA -0.622 61.656 62.300 -0.036 0.000 0.871 400 V CB 1.791 33.501 31.823 -0.188 0.000 0.988 400 V HN 0.893 nan 8.190 nan 0.000 0.432 401 G N 2.428 111.226 108.800 -0.003 0.000 2.410 401 G HA2 0.552 4.513 3.960 0.001 0.000 0.330 401 G HA3 0.552 4.513 3.960 0.001 0.000 0.330 401 G C 0.745 175.751 174.900 0.177 0.000 1.142 401 G CA -0.662 44.484 45.100 0.078 0.000 0.902 401 G HN 0.977 nan 8.290 nan 0.000 0.491 402 I N -1.195 119.505 120.570 0.216 0.000 3.001 402 I HA 0.209 4.380 4.170 0.001 0.000 0.268 402 I C 0.730 176.929 176.117 0.136 0.000 1.267 402 I CA 0.443 61.904 61.300 0.267 0.000 1.472 402 I CB 0.157 38.282 38.000 0.207 0.000 1.089 402 I HN 0.254 nan 8.210 nan 0.000 0.468 403 S N 0.100 115.813 115.700 0.021 0.000 2.564 403 S HA 0.437 4.908 4.470 0.001 0.000 0.274 403 S C 0.233 174.805 174.600 -0.047 0.000 1.124 403 S CA -0.818 57.371 58.200 -0.018 0.000 0.869 403 S CB 1.250 64.372 63.200 -0.131 0.000 1.105 403 S HN 0.321 nan 8.310 nan 0.000 0.472 404 F N 2.275 122.213 119.950 -0.020 0.000 2.604 404 F HA 0.472 4.999 4.527 0.001 0.000 0.298 404 F C 0.326 176.117 175.800 -0.015 0.000 1.131 404 F CA 0.139 58.129 58.000 -0.016 0.000 1.457 404 F CB -0.282 38.745 39.000 0.045 0.000 1.095 404 F HN 0.297 nan 8.300 nan 0.000 0.574 405 I N 1.991 122.120 120.570 -0.735 0.000 2.307 405 I HA 0.640 4.811 4.170 0.001 0.000 0.287 405 I C 0.506 176.397 176.117 -0.376 0.000 1.054 405 I CA -0.197 60.760 61.300 -0.572 0.000 1.218 405 I CB 0.342 37.839 38.000 -0.838 0.000 1.398 405 I HN 0.360 nan 8.210 nan 0.000 0.475 406 G N 4.362 113.013 108.800 -0.248 0.000 2.328 406 G HA2 0.241 4.202 3.960 0.001 0.000 0.295 406 G HA3 0.241 4.202 3.960 0.001 0.000 0.295 406 G C -0.723 174.107 174.900 -0.117 0.000 1.413 406 G CA -0.502 44.471 45.100 -0.212 0.000 0.817 406 G HN 0.517 nan 8.290 nan 0.000 0.546 407 E N -0.416 119.719 120.200 -0.109 0.000 2.734 407 E HA 0.172 4.523 4.350 0.001 0.000 0.211 407 E C 1.523 178.211 176.600 0.146 0.000 0.991 407 E CA 0.115 56.489 56.400 -0.044 0.000 1.065 407 E CB 0.769 30.260 29.700 -0.348 0.000 1.047 407 E HN 0.399 nan 8.360 nan 0.000 0.470 408 T N 0.160 114.778 114.554 0.107 0.000 2.653 408 T HA -0.202 4.149 4.350 0.001 0.000 0.268 408 T C 1.958 176.790 174.700 0.221 0.000 1.035 408 T CA 1.766 63.949 62.100 0.140 0.000 1.154 408 T CB -0.082 68.787 68.868 0.001 0.000 0.862 408 T HN 0.072 nan 8.240 nan 0.000 0.441 409 S N -0.105 115.722 115.700 0.211 0.000 2.406 409 S HA 0.006 4.477 4.470 0.001 0.000 0.228 409 S C 1.741 176.523 174.600 0.303 0.000 1.020 409 S CA 0.526 58.856 58.200 0.215 0.000 0.965 409 S CB -0.380 62.902 63.200 0.136 0.000 0.798 409 S HN 0.503 nan 8.310 nan 0.000 0.488 410 Y N 2.148 122.554 120.300 0.176 0.000 2.128 410 Y HA -0.107 4.444 4.550 0.001 0.000 0.284 410 Y C 2.546 178.675 175.900 0.381 0.000 1.154 410 Y CA 1.145 59.398 58.100 0.254 0.000 1.149 410 Y CB -0.395 38.199 38.460 0.223 0.000 0.976 410 Y HN 0.134 nan 8.280 nan 0.000 0.505 411 R N -0.642 120.159 120.500 0.501 0.000 2.081 411 R HA -0.130 4.211 4.340 0.001 0.000 0.235 411 R C 2.630 179.218 176.300 0.481 0.000 1.131 411 R CA 1.192 57.552 56.100 0.433 0.000 0.960 411 R CB -1.040 29.481 30.300 0.368 0.000 0.856 411 R HN 0.456 nan 8.270 nan 0.000 0.436 412 G N 0.662 109.780 108.800 0.529 0.000 2.418 412 G HA2 -0.304 3.657 3.960 0.001 0.000 0.217 412 G HA3 -0.304 3.657 3.960 0.001 0.000 0.217 412 G C 1.247 176.354 174.900 0.345 0.000 1.158 412 G CA 0.466 45.848 45.100 0.470 0.000 0.771 412 G HN 0.273 nan 8.290 nan 0.000 0.545 413 F N 0.330 120.392 119.950 0.187 0.000 2.075 413 F HA -0.039 4.489 4.527 0.001 0.000 0.297 413 F C 2.460 178.345 175.800 0.142 0.000 1.113 413 F CA 1.348 59.426 58.000 0.131 0.000 1.218 413 F CB -0.127 38.836 39.000 -0.062 0.000 0.984 413 F HN 0.158 nan 8.300 nan 0.000 0.472 414 Y N 0.167 120.718 120.300 0.417 0.000 2.373 414 Y HA -0.060 4.490 4.550 0.001 0.000 0.293 414 Y C 2.674 178.714 175.900 0.234 0.000 1.129 414 Y CA 1.362 59.622 58.100 0.267 0.000 1.226 414 Y CB -0.735 37.841 38.460 0.193 0.000 1.000 414 Y HN 0.019 nan 8.280 nan 0.000 0.549 415 R N -0.439 120.266 120.500 0.341 0.000 2.083 415 R HA -0.221 4.120 4.340 0.001 0.000 0.237 415 R C 2.101 178.534 176.300 0.221 0.000 1.137 415 R CA 1.856 58.111 56.100 0.258 0.000 0.951 415 R CB -0.725 29.736 30.300 0.267 0.000 0.851 415 R HN 0.344 nan 8.270 nan 0.000 0.434 416 F N -0.008 119.911 119.950 -0.051 0.000 2.206 416 F HA -0.142 4.386 4.527 0.002 0.000 0.298 416 F C 1.964 177.592 175.800 -0.287 0.000 1.090 416 F CA 1.029 58.848 58.000 -0.302 0.000 1.323 416 F CB -0.713 37.881 39.000 -0.675 0.000 1.028 416 F HN 0.146 nan 8.300 nan 0.000 0.492 417 W N 1.787 122.860 121.300 -0.379 0.000 2.335 417 W HA -0.272 4.388 4.660 0.001 0.000 0.311 417 W C 2.646 179.062 176.519 -0.172 0.000 1.213 417 W CA 2.795 60.018 57.345 -0.204 0.000 1.274 417 W CB -0.452 28.979 29.460 -0.049 0.000 1.148 417 W HN -0.005 nan 8.180 nan 0.000 0.498 418 K N 0.474 121.062 120.400 0.313 0.000 2.057 418 K HA -0.292 4.029 4.320 0.001 0.000 0.207 418 K C 2.116 178.651 176.600 -0.107 0.000 1.049 418 K CA 2.004 58.397 56.287 0.177 0.000 0.931 418 K CB -0.540 32.108 32.500 0.246 0.000 0.714 418 K HN 0.336 nan 8.250 nan 0.000 0.440 419 E N -0.138 119.977 120.200 -0.142 0.000 2.077 419 E HA -0.189 4.162 4.350 0.001 0.000 0.193 419 E C 2.000 178.373 176.600 -0.377 0.000 0.989 419 E CA 1.066 57.355 56.400 -0.185 0.000 0.800 419 E CB 0.086 29.746 29.700 -0.066 0.000 0.746 419 E HN 0.274 nan 8.360 nan 0.000 0.452 420 M N 0.520 119.734 119.600 -0.643 0.000 2.099 420 M HA -0.121 4.360 4.480 0.001 0.000 0.262 420 M C 2.331 178.298 176.300 -0.555 0.000 1.067 420 M CA 0.926 55.796 55.300 -0.717 0.000 1.124 420 M CB -0.544 31.504 32.600 -0.919 0.000 1.353 420 M HN 0.246 nan 8.290 nan 0.000 0.410 421 I N 0.396 120.598 120.570 -0.613 0.000 2.361 421 I HA -0.244 3.927 4.170 0.001 0.000 0.251 421 I C 1.417 177.339 176.117 -0.325 0.000 1.133 421 I CA 1.409 62.378 61.300 -0.550 0.000 1.413 421 I CB -1.247 36.249 38.000 -0.840 0.000 1.073 421 I HN 0.226 nan 8.210 nan 0.000 0.424 422 D N 0.934 121.179 120.400 -0.258 0.000 2.347 422 D HA 0.110 4.751 4.640 0.001 0.000 0.213 422 D C 0.873 177.085 176.300 -0.147 0.000 0.985 422 D CA 0.281 54.188 54.000 -0.155 0.000 0.879 422 D CB 0.288 41.029 40.800 -0.098 0.000 0.919 422 D HN 0.181 nan 8.370 nan 0.000 0.526 423 A N 1.301 124.001 122.820 -0.201 0.000 2.274 423 A HA 0.430 4.751 4.320 0.001 0.000 0.309 423 A C -1.624 175.855 177.584 -0.175 0.000 1.226 423 A CA -1.135 50.797 52.037 -0.176 0.000 0.853 423 A CB 1.234 20.103 19.000 -0.218 0.000 1.146 423 A HN -0.126 nan 8.150 nan 0.000 0.518 424 P HA 0.061 nan 4.420 nan 0.000 0.231 424 P C -0.454 176.789 177.300 -0.094 0.000 1.168 424 P CA 1.054 64.097 63.100 -0.096 0.000 0.779 424 P CB 0.015 31.681 31.700 -0.056 0.000 0.844 425 D N -3.824 116.516 120.400 -0.100 0.000 2.692 425 D HA 0.021 4.662 4.640 0.001 0.000 0.290 425 D C 0.090 176.356 176.300 -0.057 0.000 1.281 425 D CA -0.851 53.111 54.000 -0.064 0.000 0.804 425 D CB -0.429 40.385 40.800 0.023 0.000 1.331 425 D HN -0.215 nan 8.370 nan 0.000 0.432 426 W N 0.169 121.467 121.300 -0.004 0.000 2.374 426 W HA 0.118 4.779 4.660 0.001 0.000 0.288 426 W C 2.466 179.011 176.519 0.043 0.000 1.218 426 W CA 1.710 59.070 57.345 0.025 0.000 1.245 426 W CB -0.123 29.355 29.460 0.030 0.000 1.126 426 W HN 0.640 nan 8.180 nan 0.000 0.545 427 A N -0.455 122.514 122.820 0.248 0.000 1.933 427 A HA -0.219 4.102 4.320 0.001 0.000 0.218 427 A C 1.984 179.648 177.584 0.133 0.000 1.175 427 A CA 2.200 54.340 52.037 0.172 0.000 0.628 427 A CB -0.993 18.076 19.000 0.115 0.000 0.814 427 A HN 0.192 nan 8.150 nan 0.000 0.444 428 S N -0.408 115.344 115.700 0.085 0.000 2.383 428 S HA -0.096 4.375 4.470 0.001 0.000 0.227 428 S C 1.859 176.499 174.600 0.065 0.000 1.026 428 S CA 1.259 59.489 58.200 0.050 0.000 0.981 428 S CB -0.445 62.754 63.200 -0.002 0.000 0.818 428 S HN 0.352 nan 8.310 nan 0.000 0.472 429 V N 2.145 122.103 119.914 0.074 0.000 2.261 429 V HA -0.215 3.906 4.120 0.001 0.000 0.246 429 V C 2.246 178.480 176.094 0.233 0.000 1.047 429 V CA 1.752 64.129 62.300 0.129 0.000 1.015 429 V CB -0.616 31.263 31.823 0.093 0.000 0.642 429 V HN 0.405 nan 8.190 nan 0.000 0.446 430 K N 0.531 121.104 120.400 0.288 0.000 2.152 430 K HA -0.128 4.193 4.320 0.001 0.000 0.206 430 K C 2.136 178.838 176.600 0.171 0.000 1.048 430 K CA 1.453 57.891 56.287 0.252 0.000 0.933 430 K CB -0.476 32.164 32.500 0.233 0.000 0.721 430 K HN 0.489 nan 8.250 nan 0.000 0.447 431 A N 1.466 124.370 122.820 0.141 0.000 2.178 431 A HA -0.113 4.208 4.320 0.001 0.000 0.218 431 A C 1.240 178.891 177.584 0.112 0.000 1.157 431 A CA 1.179 53.281 52.037 0.108 0.000 0.689 431 A CB -0.240 18.811 19.000 0.084 0.000 0.787 431 A HN 0.265 nan 8.150 nan 0.000 0.465 432 N N 0.144 118.925 118.700 0.135 0.000 2.336 432 N HA -0.035 4.706 4.740 0.001 0.000 0.189 432 N C 0.124 175.756 175.510 0.203 0.000 1.113 432 N CA 0.421 53.564 53.050 0.155 0.000 0.858 432 N CB 0.021 38.606 38.487 0.163 0.000 0.970 432 N HN 0.342 nan 8.380 nan 0.000 0.471 433 D N 1.471 121.977 120.400 0.177 0.000 2.149 433 D HA -0.140 4.501 4.640 0.001 0.000 0.198 433 D C 0.941 177.406 176.300 0.275 0.000 0.990 433 D CA 1.314 55.425 54.000 0.185 0.000 0.839 433 D CB -0.049 40.825 40.800 0.124 0.000 0.948 433 D HN 0.247 nan 8.370 nan 0.000 0.460 434 D N -1.587 118.926 120.400 0.189 0.000 2.323 434 D HA -0.017 4.624 4.640 0.001 0.000 0.209 434 D C 1.243 177.607 176.300 0.108 0.000 0.973 434 D CA 0.969 55.058 54.000 0.148 0.000 0.874 434 D CB 0.281 41.138 40.800 0.094 0.000 0.930 434 D HN 0.240 nan 8.370 nan 0.000 0.521 435 T N -2.858 111.770 114.554 0.123 0.000 3.145 435 T HA 0.014 4.365 4.350 0.001 0.000 0.281 435 T C 1.629 176.358 174.700 0.049 0.000 1.003 435 T CA -0.749 61.377 62.100 0.043 0.000 0.901 435 T CB -0.640 68.255 68.868 0.045 0.000 1.112 435 T HN 0.324 nan 8.240 nan 0.000 0.535 436 W N 3.357 124.684 121.300 0.045 0.000 2.342 436 W HA -0.103 4.558 4.660 0.001 0.000 0.297 436 W C 0.242 176.820 176.519 0.099 0.000 1.213 436 W CA 1.381 58.759 57.345 0.056 0.000 1.251 436 W CB -0.804 28.674 29.460 0.029 0.000 1.136 436 W HN 0.397 nan 8.180 nan 0.000 0.526 437 D N 1.200 121.063 120.400 -0.895 0.000 2.358 437 D HA -0.043 4.598 4.640 0.001 0.000 0.224 437 D C 1.756 177.905 176.300 -0.251 0.000 1.123 437 D CA 0.767 54.299 54.000 -0.779 0.000 0.833 437 D CB -0.527 39.437 40.800 -1.394 0.000 0.946 437 D HN 0.224 nan 8.370 nan 0.000 0.505 438 S N 0.046 115.634 115.700 -0.186 0.000 2.469 438 S HA -0.178 4.292 4.470 0.001 0.000 0.238 438 S C 1.986 176.510 174.600 -0.127 0.000 0.998 438 S CA 0.746 58.878 58.200 -0.114 0.000 0.957 438 S CB -0.858 62.297 63.200 -0.075 0.000 0.764 438 S HN 0.313 nan 8.310 nan 0.000 0.514 439 V N -2.251 117.536 119.914 -0.211 0.000 3.444 439 V HA 0.330 4.451 4.120 0.001 0.000 0.271 439 V C 0.101 175.869 176.094 -0.544 0.000 1.188 439 V CA 0.240 62.325 62.300 -0.358 0.000 1.168 439 V CB -1.444 30.114 31.823 -0.441 0.000 0.810 439 V HN 0.356 nan 8.190 nan 0.000 0.500 440 F N 2.541 122.432 119.950 -0.098 0.000 2.300 440 F HA 0.523 5.051 4.527 0.002 0.000 0.364 440 F C -1.015 174.731 175.800 -0.091 0.000 1.090 440 F CA -2.529 55.417 58.000 -0.091 0.000 1.200 440 F CB 1.086 40.024 39.000 -0.103 0.000 1.493 440 F HN 0.042 nan 8.300 nan 0.000 0.518 441 P HA -0.139 nan 4.420 nan 0.000 0.223 441 P C 0.486 177.788 177.300 0.004 0.000 1.151 441 P CA 0.815 63.909 63.100 -0.010 0.000 0.787 441 P CB 0.333 32.008 31.700 -0.041 0.000 0.788 442 N N 1.261 119.967 118.700 0.009 0.000 3.103 442 N HA 0.014 4.755 4.740 0.001 0.000 0.305 442 N C 1.181 176.735 175.510 0.072 0.000 1.232 442 N CA -0.061 52.993 53.050 0.007 0.000 1.190 442 N CB -0.214 38.228 38.487 -0.075 0.000 1.461 442 N HN -0.115 nan 8.380 nan 0.000 0.538 443 R N 0.873 121.407 120.500 0.056 0.000 2.120 443 R HA -0.048 4.293 4.340 0.001 0.000 0.234 443 R C 0.526 176.881 176.300 0.092 0.000 1.123 443 R CA 0.990 57.132 56.100 0.070 0.000 0.975 443 R CB -0.508 29.812 30.300 0.033 0.000 0.866 443 R HN 0.470 nan 8.270 nan 0.000 0.446 444 N N 0.288 119.029 118.700 0.069 0.000 2.268 444 N HA 0.025 4.766 4.740 0.001 0.000 0.204 444 N C 0.765 176.290 175.510 0.026 0.000 1.124 444 N CA -0.273 52.804 53.050 0.045 0.000 0.838 444 N CB -0.030 38.461 38.487 0.006 0.000 0.994 444 N HN 0.037 nan 8.380 nan 0.000 0.489 445 F N 0.039 119.939 119.950 -0.083 0.000 2.069 445 F HA -0.150 4.379 4.527 0.003 0.000 0.298 445 F C 1.292 176.936 175.800 -0.260 0.000 1.113 445 F CA 1.592 59.462 58.000 -0.218 0.000 1.214 445 F CB -0.159 38.658 39.000 -0.305 0.000 0.978 445 F HN 0.123 nan 8.300 nan 0.000 0.474 446 W N 0.607 121.798 121.300 -0.181 0.000 2.476 446 W HA -0.090 4.570 4.660 -0.000 0.000 0.281 446 W C 2.305 178.660 176.519 -0.273 0.000 1.230 446 W CA 0.751 57.924 57.345 -0.286 0.000 1.287 446 W CB -0.489 28.884 29.460 -0.144 0.000 1.108 446 W HN -0.047 nan 8.180 nan 0.000 0.567 447 N N 0.543 119.251 118.700 0.015 0.000 2.142 447 N HA -0.147 4.594 4.740 0.001 0.000 0.186 447 N C 1.394 176.855 175.510 -0.082 0.000 1.023 447 N CA 1.581 54.615 53.050 -0.027 0.000 0.852 447 N CB -0.573 37.906 38.487 -0.012 0.000 0.998 447 N HN 0.340 nan 8.380 nan 0.000 0.424 448 E N 0.667 120.782 120.200 -0.141 0.000 2.072 448 E HA -0.183 4.168 4.350 0.001 0.000 0.191 448 E C 1.863 178.342 176.600 -0.202 0.000 0.985 448 E CA 1.003 57.308 56.400 -0.159 0.000 0.801 448 E CB 0.016 29.611 29.700 -0.175 0.000 0.750 448 E HN 0.252 nan 8.360 nan 0.000 0.452 449 K N 1.488 121.680 120.400 -0.347 0.000 2.002 449 K HA -0.133 4.188 4.320 0.001 0.000 0.209 449 K C 1.924 178.444 176.600 -0.134 0.000 1.048 449 K CA 1.233 57.307 56.287 -0.355 0.000 0.930 449 K CB -0.296 31.765 32.500 -0.732 0.000 0.714 449 K HN 0.049 nan 8.250 nan 0.000 0.438 450 L N 0.818 122.015 121.223 -0.043 0.000 2.141 450 L HA -0.123 4.218 4.340 0.001 0.000 0.209 450 L C 2.002 178.872 176.870 -0.001 0.000 1.094 450 L CA 0.853 55.714 54.840 0.035 0.000 0.763 450 L CB -0.530 41.562 42.059 0.056 0.000 0.908 450 L HN 0.298 nan 8.230 nan 0.000 0.437 451 N N 0.455 119.137 118.700 -0.029 0.000 2.135 451 N HA -0.109 4.632 4.740 0.001 0.000 0.186 451 N C 1.902 177.397 175.510 -0.026 0.000 1.027 451 N CA 1.494 54.528 53.050 -0.026 0.000 0.849 451 N CB -0.302 38.164 38.487 -0.035 0.000 1.002 451 N HN 0.252 nan 8.380 nan 0.000 0.425 452 A N 0.680 123.474 122.820 -0.043 0.000 2.070 452 A HA 0.173 4.494 4.320 0.001 0.000 0.220 452 A C 1.224 178.797 177.584 -0.018 0.000 1.159 452 A CA 1.087 53.102 52.037 -0.036 0.000 0.656 452 A CB -0.547 18.419 19.000 -0.056 0.000 0.800 452 A HN 0.348 nan 8.150 nan 0.000 0.453 453 A N -0.390 122.424 122.820 -0.009 0.000 2.287 453 A HA 0.534 4.855 4.320 0.001 0.000 0.273 453 A C 0.468 178.063 177.584 0.018 0.000 1.091 453 A CA 0.286 52.332 52.037 0.015 0.000 0.817 453 A CB 0.113 19.137 19.000 0.040 0.000 1.069 453 A HN 1.447 nan 8.150 nan 0.000 0.492 454 E N 0.000 120.215 120.200 0.026 0.000 2.725 454 E HA 0.000 4.351 4.350 0.001 0.000 0.291 454 E CA 0.000 56.414 56.400 0.024 0.000 0.976 454 E CB 0.000 29.717 29.700 0.028 0.000 0.812 454 E HN 0.000 nan 8.360 nan 0.000 0.440