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 3c4q_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRVAMISMHT SPLQQPGTGD SGGMNVYILS TATELAKQGI EVDIYTRATR DATA SEQUENCE PSQGEIVRVA ENLRVINIAA GPYEGLSKEE LPTQLAAFTG GMLSFTRREK DATA SEQUENCE VTYDLIHSHY WLSGQVGWLL RDLWRIPLIH TAHTLAAVXX XXXXXSDTPE DATA SEQUENCE SEARRICEQQ LVDNADVLAV NTQEEMQDLM HHYDADPDRI SVVSPGADVE DATA SEQUENCE LYSPGNDRAT ERSRRELGIP LHTKVVAFVG RLQPFKGPQV LIKAVAALFD DATA SEQUENCE RDPDRNLRVI ICGGPXXXXX XXXXYRHMAE ELGVEKRIRF LDPRPPSELV DATA SEQUENCE AVYRAADIVA VPSFNESFGL VAMEAQASGT PVIAARVGGL PIAVAEGETG DATA SEQUENCE LLVDGHSPHA WADALATLLD DDETRIRMGE DAVEHARTFS WAATAAQLSS DATA SEQUENCE LYNDAIANE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.362 176.300 0.103 0.000 1.140 1 M CA 0.000 55.350 55.300 0.084 0.000 0.988 1 M CB 0.000 32.670 32.600 0.117 0.000 1.302 2 R N 3.444 124.011 120.500 0.111 0.000 2.393 2 R HA 0.785 5.125 4.340 -0.000 0.000 0.315 2 R C -1.883 174.611 176.300 0.324 0.000 0.952 2 R CA -0.522 55.688 56.100 0.184 0.000 0.842 2 R CB 1.996 32.334 30.300 0.064 0.000 1.163 2 R HN 0.563 nan 8.270 nan 0.000 0.450 3 V N 3.433 123.542 119.914 0.325 0.000 2.417 3 V HA 0.482 4.602 4.120 -0.000 0.000 0.291 3 V C -0.153 176.025 176.094 0.141 0.000 1.024 3 V CA -0.754 61.671 62.300 0.208 0.000 0.861 3 V CB 1.603 33.496 31.823 0.115 0.000 0.985 3 V HN 0.896 nan 8.190 nan 0.000 0.436 4 A N 6.994 129.729 122.820 -0.142 0.000 2.279 4 A HA 0.679 4.999 4.320 -0.000 0.000 0.306 4 A C -0.116 177.480 177.584 0.021 0.000 1.300 4 A CA -0.344 51.497 52.037 -0.326 0.000 0.925 4 A CB 0.104 18.654 19.000 -0.750 0.000 1.152 4 A HN 0.824 nan 8.150 nan 0.000 0.544 5 M N 2.779 122.458 119.600 0.132 0.000 2.233 5 M HA 0.415 4.895 4.480 -0.000 0.000 0.355 5 M C -0.723 175.730 176.300 0.256 0.000 1.191 5 M CA 0.172 55.596 55.300 0.205 0.000 1.101 5 M CB 0.990 33.709 32.600 0.198 0.000 1.592 5 M HN 0.535 nan 8.290 nan 0.000 0.461 6 I N 1.475 122.204 120.570 0.265 0.000 2.406 6 I HA 0.270 4.440 4.170 -0.000 0.000 0.290 6 I C -0.053 176.219 176.117 0.258 0.000 0.999 6 I CA -0.349 61.120 61.300 0.281 0.000 1.124 6 I CB 1.918 40.066 38.000 0.247 0.000 1.289 6 I HN 0.556 nan 8.210 nan 0.000 0.441 7 S N 6.610 122.420 115.700 0.183 0.000 2.204 7 S HA 0.235 4.705 4.470 -0.000 0.000 0.147 7 S C 0.773 175.341 174.600 -0.054 0.000 1.711 7 S CA -0.608 57.629 58.200 0.061 0.000 1.274 7 S CB 0.437 63.616 63.200 -0.036 0.000 1.257 7 S HN 0.791 nan 8.310 nan 0.000 0.404 8 M N 2.859 122.387 119.600 -0.120 0.000 2.073 8 M HA -0.144 4.336 4.480 -0.000 0.000 0.258 8 M C 1.991 178.094 176.300 -0.329 0.000 1.070 8 M CA 2.155 57.160 55.300 -0.491 0.000 1.103 8 M CB -0.307 31.865 32.600 -0.714 0.000 1.321 8 M HN 0.847 nan 8.290 nan 0.000 0.405 9 H N -2.409 116.504 119.070 -0.261 0.000 2.553 9 H HA 0.224 4.780 4.556 0.000 0.000 0.265 9 H C -0.252 174.981 175.328 -0.159 0.000 0.964 9 H CA 0.908 56.829 56.048 -0.211 0.000 1.156 9 H CB -0.049 29.600 29.762 -0.188 0.000 1.411 9 H HN 0.318 nan 8.280 nan 0.000 0.558 10 T N 0.222 114.408 114.554 -0.613 0.000 2.982 10 T HA 0.328 4.678 4.350 -0.000 0.000 0.321 10 T C -1.395 173.121 174.700 -0.306 0.000 1.229 10 T CA -0.533 61.281 62.100 -0.476 0.000 1.044 10 T CB 1.935 70.418 68.868 -0.641 0.000 1.184 10 T HN 0.282 nan 8.240 nan 0.000 0.477 11 S N 3.707 119.289 115.700 -0.196 0.000 2.541 11 S HA 0.572 5.042 4.470 -0.000 0.000 0.283 11 S C -1.525 172.992 174.600 -0.139 0.000 1.196 11 S CA -1.786 56.331 58.200 -0.139 0.000 1.062 11 S CB 1.276 64.419 63.200 -0.095 0.000 1.009 11 S HN 0.648 nan 8.310 nan 0.000 0.502 12 P HA 0.024 nan 4.420 nan 0.000 0.234 12 P C 0.696 177.935 177.300 -0.101 0.000 1.167 12 P CA 0.314 63.337 63.100 -0.128 0.000 0.763 12 P CB 0.116 31.738 31.700 -0.131 0.000 0.835 13 L N -1.327 119.843 121.223 -0.089 0.000 2.607 13 L HA 0.253 4.593 4.340 -0.000 0.000 0.228 13 L C 1.045 177.876 176.870 -0.065 0.000 1.123 13 L CA 0.262 55.058 54.840 -0.073 0.000 0.890 13 L CB -1.382 40.636 42.059 -0.068 0.000 1.103 13 L HN -0.040 nan 8.230 nan 0.000 0.468 14 Q N 0.562 120.319 119.800 -0.073 0.000 2.286 14 Q HA 0.139 4.479 4.340 -0.000 0.000 0.257 14 Q C -0.032 175.939 176.000 -0.048 0.000 0.941 14 Q CA -0.030 55.736 55.803 -0.061 0.000 0.912 14 Q CB 0.849 29.543 28.738 -0.074 0.000 1.192 14 Q HN 0.091 nan 8.270 nan 0.000 0.410 15 Q N 5.519 125.300 119.800 -0.031 0.000 2.239 15 Q HA 0.128 4.468 4.340 -0.000 0.000 0.286 15 Q C -2.336 173.658 176.000 -0.010 0.000 1.102 15 Q CA -0.822 54.971 55.803 -0.017 0.000 0.936 15 Q CB 0.441 29.174 28.738 -0.008 0.000 1.127 15 Q HN 0.348 nan 8.270 nan 0.000 0.380 16 P HA 0.286 nan 4.420 nan 0.000 0.274 16 P C 0.159 177.473 177.300 0.024 0.000 1.237 16 P CA 0.491 63.596 63.100 0.007 0.000 0.793 16 P CB 0.981 32.692 31.700 0.017 0.000 0.977 17 G N -0.475 108.344 108.800 0.032 0.000 2.179 17 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.220 17 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.220 17 G C 0.083 175.014 174.900 0.052 0.000 0.990 17 G CA 0.276 45.404 45.100 0.046 0.000 0.646 17 G HN 0.818 nan 8.290 nan 0.000 0.517 18 T N -2.136 112.441 114.554 0.038 0.000 2.865 18 T HA 0.838 5.188 4.350 -0.000 0.000 0.294 18 T C 1.498 176.217 174.700 0.031 0.000 1.119 18 T CA 0.624 62.746 62.100 0.037 0.000 1.007 18 T CB 1.614 70.498 68.868 0.027 0.000 1.225 18 T HN 1.951 nan 8.240 nan 0.000 0.515 19 G N 1.477 110.298 108.800 0.035 0.000 2.698 19 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.337 19 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.337 19 G C 0.158 175.087 174.900 0.048 0.000 1.286 19 G CA 1.022 46.143 45.100 0.036 0.000 1.000 19 G HN 0.826 nan 8.290 nan 0.000 0.547 20 D N 0.577 120.993 120.400 0.026 0.000 2.363 20 D HA 0.347 4.987 4.640 -0.000 0.000 0.214 20 D C 0.717 176.999 176.300 -0.030 0.000 1.093 20 D CA 0.705 54.721 54.000 0.027 0.000 0.837 20 D CB 0.604 41.423 40.800 0.032 0.000 0.948 20 D HN 0.311 nan 8.370 nan 0.000 0.507 21 S N -0.070 115.612 115.700 -0.030 0.000 2.475 21 S HA 0.615 5.085 4.470 -0.000 0.000 0.281 21 S C 0.331 174.924 174.600 -0.012 0.000 1.198 21 S CA -0.426 57.742 58.200 -0.055 0.000 1.063 21 S CB 0.949 64.117 63.200 -0.052 0.000 0.972 21 S HN 0.276 nan 8.310 nan 0.000 0.486 22 G N 3.080 111.869 108.800 -0.020 0.000 3.000 22 G HA2 0.480 4.440 3.960 -0.000 0.000 0.170 22 G HA3 0.480 4.440 3.960 -0.000 0.000 0.170 22 G C 0.791 175.710 174.900 0.032 0.000 1.160 22 G CA 0.120 45.237 45.100 0.028 0.000 0.945 22 G HN 0.794 nan 8.290 nan 0.000 0.593 23 G N 0.065 108.910 108.800 0.076 0.000 2.408 23 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.217 23 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.217 23 G C 1.712 176.681 174.900 0.115 0.000 1.150 23 G CA 1.422 46.608 45.100 0.142 0.000 0.776 23 G HN 0.465 nan 8.290 nan 0.000 0.542 24 M N 0.710 120.280 119.600 -0.050 0.000 2.159 24 M HA -0.075 4.405 4.480 -0.000 0.000 0.263 24 M C 2.168 178.334 176.300 -0.223 0.000 1.063 24 M CA 1.697 56.808 55.300 -0.314 0.000 1.110 24 M CB -0.255 31.972 32.600 -0.621 0.000 1.374 24 M HN 0.195 nan 8.290 nan 0.000 0.411 25 N N 0.188 118.791 118.700 -0.162 0.000 2.106 25 N HA -0.166 4.574 4.740 -0.000 0.000 0.188 25 N C 1.644 177.078 175.510 -0.127 0.000 1.029 25 N CA 1.692 54.648 53.050 -0.157 0.000 0.848 25 N CB -0.670 37.739 38.487 -0.129 0.000 1.007 25 N HN 0.389 nan 8.380 nan 0.000 0.423 26 V N -0.248 119.629 119.914 -0.061 0.000 2.548 26 V HA -0.177 3.943 4.120 -0.000 0.000 0.249 26 V C 1.776 177.697 176.094 -0.287 0.000 1.055 26 V CA 1.164 63.399 62.300 -0.108 0.000 1.065 26 V CB -0.620 31.219 31.823 0.027 0.000 0.681 26 V HN 0.381 nan 8.190 nan 0.000 0.462 27 Y N 0.808 120.972 120.300 -0.226 0.000 2.070 27 Y HA -0.255 4.295 4.550 0.000 0.000 0.280 27 Y C 2.254 177.923 175.900 -0.386 0.000 1.148 27 Y CA 2.762 60.711 58.100 -0.252 0.000 1.125 27 Y CB -0.200 38.331 38.460 0.118 0.000 0.975 27 Y HN 0.283 nan 8.280 nan 0.000 0.492 28 I N -0.466 120.085 120.570 -0.032 0.000 2.091 28 I HA -0.355 3.815 4.170 -0.000 0.000 0.239 28 I C 2.340 178.313 176.117 -0.239 0.000 1.061 28 I CA 1.546 62.708 61.300 -0.230 0.000 1.317 28 I CB -0.608 37.153 38.000 -0.398 0.000 1.031 28 I HN 0.325 nan 8.210 nan 0.000 0.401 29 L N 0.206 121.276 121.223 -0.255 0.000 2.012 29 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 29 L C 2.598 179.271 176.870 -0.328 0.000 1.073 29 L CA 1.950 56.646 54.840 -0.239 0.000 0.748 29 L CB -0.591 41.349 42.059 -0.199 0.000 0.891 29 L HN 0.139 nan 8.230 nan 0.000 0.431 30 S N -1.048 114.303 115.700 -0.581 0.000 2.355 30 S HA -0.189 4.281 4.470 -0.000 0.000 0.222 30 S C 1.875 176.131 174.600 -0.573 0.000 1.031 30 S CA 1.698 59.415 58.200 -0.804 0.000 0.993 30 S CB -0.852 61.225 63.200 -1.871 0.000 0.859 30 S HN 0.770 nan 8.310 nan 0.000 0.453 31 T N 1.387 115.592 114.554 -0.581 0.000 2.788 31 T HA -0.003 4.347 4.350 -0.000 0.000 0.268 31 T C 1.924 176.572 174.700 -0.087 0.000 1.044 31 T CA 1.172 63.136 62.100 -0.226 0.000 1.139 31 T CB -0.608 68.176 68.868 -0.140 0.000 0.867 31 T HN 0.353 nan 8.240 nan 0.000 0.454 32 A N 1.665 124.427 122.820 -0.098 0.000 1.930 32 A HA -0.020 4.300 4.320 -0.000 0.000 0.217 32 A C 2.621 180.189 177.584 -0.027 0.000 1.175 32 A CA 1.969 53.997 52.037 -0.014 0.000 0.627 32 A CB -1.394 17.589 19.000 -0.028 0.000 0.815 32 A HN 0.552 nan 8.150 nan 0.000 0.443 33 T N -0.623 113.880 114.554 -0.085 0.000 2.867 33 T HA -0.087 4.263 4.350 -0.000 0.000 0.268 33 T C 1.853 176.534 174.700 -0.032 0.000 1.057 33 T CA 1.685 63.746 62.100 -0.064 0.000 1.136 33 T CB -0.117 68.692 68.868 -0.099 0.000 0.874 33 T HN 0.524 nan 8.240 nan 0.000 0.466 34 E N 0.708 120.889 120.200 -0.033 0.000 2.122 34 E HA 0.149 4.499 4.350 -0.000 0.000 0.190 34 E C 2.024 178.635 176.600 0.018 0.000 0.977 34 E CA 0.394 56.796 56.400 0.003 0.000 0.820 34 E CB -0.356 29.360 29.700 0.026 0.000 0.770 34 E HN 0.391 nan 8.360 nan 0.000 0.462 35 L N -0.227 121.013 121.223 0.029 0.000 2.046 35 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 35 L C 2.338 179.246 176.870 0.062 0.000 1.077 35 L CA 1.206 56.081 54.840 0.059 0.000 0.747 35 L CB -0.467 41.662 42.059 0.117 0.000 0.896 35 L HN 0.174 nan 8.230 nan 0.000 0.432 36 A N -0.426 122.423 122.820 0.049 0.000 1.969 36 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 36 A C 2.301 179.903 177.584 0.030 0.000 1.169 36 A CA 1.280 53.343 52.037 0.043 0.000 0.635 36 A CB -0.290 18.727 19.000 0.028 0.000 0.810 36 A HN 0.250 nan 8.150 nan 0.000 0.445 37 K N -0.136 120.276 120.400 0.021 0.000 2.147 37 K HA -0.172 4.148 4.320 -0.000 0.000 0.205 37 K C 1.681 178.293 176.600 0.020 0.000 1.049 37 K CA 1.563 57.859 56.287 0.017 0.000 0.936 37 K CB -0.129 32.379 32.500 0.012 0.000 0.722 37 K HN 0.897 nan 8.250 nan 0.000 0.446 38 Q N -0.784 119.032 119.800 0.027 0.000 2.201 38 Q HA 0.172 4.512 4.340 -0.000 0.000 0.217 38 Q C 0.591 176.612 176.000 0.035 0.000 0.860 38 Q CA 0.466 56.285 55.803 0.026 0.000 0.984 38 Q CB 0.724 29.475 28.738 0.022 0.000 1.095 38 Q HN 0.264 nan 8.270 nan 0.000 0.477 39 G N 1.215 110.038 108.800 0.039 0.000 2.213 39 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.236 39 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.236 39 G C 0.117 175.052 174.900 0.060 0.000 0.991 39 G CA -0.095 45.031 45.100 0.042 0.000 0.629 39 G HN 0.408 nan 8.290 nan 0.000 0.517 40 I N 1.895 122.512 120.570 0.079 0.000 2.471 40 I HA 0.250 4.420 4.170 -0.000 0.000 0.286 40 I C 0.503 176.689 176.117 0.114 0.000 1.079 40 I CA -0.047 61.322 61.300 0.114 0.000 1.398 40 I CB 0.836 38.933 38.000 0.162 0.000 1.403 40 I HN 0.136 nan 8.210 nan 0.000 0.530 41 E N 5.481 125.752 120.200 0.119 0.000 2.152 41 E HA 0.319 4.669 4.350 -0.000 0.000 0.285 41 E C -1.015 175.688 176.600 0.173 0.000 1.043 41 E CA -0.346 56.126 56.400 0.120 0.000 0.839 41 E CB 1.367 31.125 29.700 0.096 0.000 1.069 41 E HN 0.287 nan 8.360 nan 0.000 0.399 42 V N 3.992 123.997 119.914 0.152 0.000 2.513 42 V HA 0.238 4.358 4.120 -0.000 0.000 0.299 42 V C -0.469 175.706 176.094 0.135 0.000 1.035 42 V CA -0.793 61.605 62.300 0.165 0.000 0.889 42 V CB 1.885 33.791 31.823 0.139 0.000 0.988 42 V HN 0.628 nan 8.190 nan 0.000 0.440 43 D N 4.366 124.857 120.400 0.151 0.000 2.481 43 D HA 0.500 5.140 4.640 -0.000 0.000 0.246 43 D C -0.479 175.777 176.300 -0.073 0.000 1.109 43 D CA -0.094 53.919 54.000 0.022 0.000 0.845 43 D CB 2.153 43.034 40.800 0.135 0.000 1.160 43 D HN 0.329 nan 8.370 nan 0.000 0.534 44 I N 2.578 123.069 120.570 -0.132 0.000 2.315 44 I HA 0.197 4.367 4.170 -0.000 0.000 0.291 44 I C -0.401 175.616 176.117 -0.166 0.000 1.006 44 I CA -0.671 60.591 61.300 -0.064 0.000 1.265 44 I CB 0.543 38.515 38.000 -0.046 0.000 1.387 44 I HN 0.152 nan 8.210 nan 0.000 0.475 45 Y N 4.359 124.677 120.300 0.030 0.000 2.330 45 Y HA 0.494 5.044 4.550 0.000 0.000 0.336 45 Y C 0.574 176.597 175.900 0.205 0.000 1.036 45 Y CA -0.135 58.009 58.100 0.073 0.000 1.125 45 Y CB 1.901 40.406 38.460 0.074 0.000 1.194 45 Y HN 0.463 nan 8.280 nan 0.000 0.469 46 T N 3.415 118.171 114.554 0.336 0.000 2.868 46 T HA 0.389 4.739 4.350 -0.000 0.000 0.306 46 T C -0.978 173.939 174.700 0.362 0.000 1.224 46 T CA -0.904 61.346 62.100 0.250 0.000 1.012 46 T CB 1.110 70.004 68.868 0.043 0.000 1.221 46 T HN 0.665 nan 8.240 nan 0.000 0.499 47 R N 1.468 122.078 120.500 0.182 0.000 2.537 47 R HA 0.555 4.895 4.340 -0.000 0.000 0.280 47 R C 0.058 176.458 176.300 0.166 0.000 1.058 47 R CA -0.196 56.046 56.100 0.237 0.000 1.057 47 R CB 0.407 30.731 30.300 0.040 0.000 0.973 47 R HN 0.706 nan 8.270 nan 0.000 0.438 48 A N 2.675 125.622 122.820 0.211 0.000 2.454 48 A HA 0.135 4.455 4.320 -0.000 0.000 0.260 48 A C 0.903 178.620 177.584 0.221 0.000 1.106 48 A CA 0.073 52.214 52.037 0.175 0.000 0.780 48 A CB 0.296 19.435 19.000 0.232 0.000 1.044 48 A HN 0.933 nan 8.150 nan 0.000 0.498 49 T N -0.478 114.106 114.554 0.050 0.000 2.969 49 T HA 0.272 4.622 4.350 -0.000 0.000 0.258 49 T C 0.579 175.170 174.700 -0.182 0.000 0.962 49 T CA -0.067 62.056 62.100 0.038 0.000 0.903 49 T CB 0.184 69.071 68.868 0.033 0.000 1.177 49 T HN 0.561 nan 8.240 nan 0.000 0.511 50 R N 1.973 122.317 120.500 -0.260 0.000 2.547 50 R HA 0.304 4.644 4.340 -0.000 0.000 0.280 50 R C -2.259 173.842 176.300 -0.332 0.000 1.630 50 R CA -1.813 54.122 56.100 -0.274 0.000 1.470 50 R CB 1.502 31.717 30.300 -0.141 0.000 1.178 50 R HN 0.150 nan 8.270 nan 0.000 0.591 51 P HA -0.243 nan 4.420 nan 0.000 0.216 51 P C 1.289 178.483 177.300 -0.177 0.000 1.150 51 P CA 1.518 64.378 63.100 -0.399 0.000 0.843 51 P CB 0.200 31.648 31.700 -0.420 0.000 0.787 52 S N -0.066 115.548 115.700 -0.144 0.000 2.441 52 S HA -0.272 4.198 4.470 -0.000 0.000 0.242 52 S C 1.981 176.540 174.600 -0.069 0.000 1.018 52 S CA 1.308 59.459 58.200 -0.082 0.000 0.988 52 S CB -1.365 61.794 63.200 -0.069 0.000 0.778 52 S HN 0.333 nan 8.310 nan 0.000 0.498 53 Q N 1.136 120.884 119.800 -0.086 0.000 2.245 53 Q HA 0.325 4.665 4.340 -0.000 0.000 0.201 53 Q C 1.296 177.268 176.000 -0.047 0.000 0.955 53 Q CA 0.310 56.074 55.803 -0.065 0.000 0.870 53 Q CB -0.415 28.278 28.738 -0.075 0.000 0.945 53 Q HN 0.788 nan 8.270 nan 0.000 0.461 54 G N 1.152 109.925 108.800 -0.045 0.000 2.795 54 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.664 54 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.664 54 G C -0.014 174.883 174.900 -0.006 0.000 1.381 54 G CA 0.023 45.114 45.100 -0.014 0.000 0.853 54 G HN 0.289 nan 8.290 nan 0.000 0.545 55 E N -0.880 119.336 120.200 0.027 0.000 2.028 55 E HA 0.009 4.359 4.350 -0.000 0.000 0.191 55 E C 1.081 177.669 176.600 -0.019 0.000 0.988 55 E CA 1.062 57.481 56.400 0.032 0.000 0.799 55 E CB -0.039 29.732 29.700 0.118 0.000 0.755 55 E HN 0.503 nan 8.360 nan 0.000 0.447 56 I N 1.668 122.250 120.570 0.020 0.000 2.378 56 I HA 0.196 4.366 4.170 -0.000 0.000 0.291 56 I C -1.060 175.050 176.117 -0.013 0.000 0.992 56 I CA -0.867 60.433 61.300 0.001 0.000 1.154 56 I CB 2.060 40.111 38.000 0.086 0.000 1.315 56 I HN -0.135 nan 8.210 nan 0.000 0.448 57 V N 5.876 125.765 119.914 -0.042 0.000 2.313 57 V HA 0.336 4.456 4.120 -0.000 0.000 0.278 57 V C 0.177 176.253 176.094 -0.030 0.000 1.017 57 V CA -0.801 61.478 62.300 -0.036 0.000 0.823 57 V CB 1.138 32.931 31.823 -0.049 0.000 1.010 57 V HN 0.652 nan 8.190 nan 0.000 0.443 58 R N 4.556 125.047 120.500 -0.015 0.000 2.343 58 R HA 0.283 4.623 4.340 -0.000 0.000 0.326 58 R C 0.127 176.416 176.300 -0.018 0.000 1.055 58 R CA 0.373 56.467 56.100 -0.010 0.000 0.961 58 R CB 0.612 30.912 30.300 -0.001 0.000 0.978 58 R HN 0.477 nan 8.270 nan 0.000 0.443 59 V N 3.177 123.078 119.914 -0.023 0.000 2.581 59 V HA 0.383 4.503 4.120 -0.000 0.000 0.240 59 V C 0.731 176.811 176.094 -0.023 0.000 1.054 59 V CA 1.544 63.827 62.300 -0.029 0.000 1.076 59 V CB -0.233 31.567 31.823 -0.040 0.000 0.748 59 V HN 0.907 nan 8.190 nan 0.000 0.474 60 A N -1.255 121.555 122.820 -0.016 0.000 2.529 60 A HA 0.524 4.844 4.320 -0.000 0.000 0.296 60 A C -0.774 176.809 177.584 -0.002 0.000 1.205 60 A CA -0.520 51.510 52.037 -0.011 0.000 0.671 60 A CB 0.770 19.762 19.000 -0.015 0.000 1.301 60 A HN 0.117 nan 8.150 nan 0.000 0.450 61 E N 0.379 120.579 120.200 0.001 0.000 2.417 61 E HA 0.138 4.488 4.350 -0.000 0.000 0.261 61 E C -0.184 176.425 176.600 0.015 0.000 1.000 61 E CA 0.909 57.314 56.400 0.008 0.000 0.919 61 E CB -0.134 29.570 29.700 0.007 0.000 0.955 61 E HN 0.631 nan 8.360 nan 0.000 0.455 62 N N 1.254 119.967 118.700 0.022 0.000 2.948 62 N HA -0.242 4.498 4.740 -0.000 0.000 0.239 62 N C -0.979 174.556 175.510 0.042 0.000 0.954 62 N CA 0.258 53.330 53.050 0.036 0.000 0.941 62 N CB -0.583 37.929 38.487 0.042 0.000 1.101 62 N HN 0.192 nan 8.380 nan 0.000 0.579 63 L N 1.244 122.482 121.223 0.025 0.000 2.404 63 L HA 0.531 4.871 4.340 -0.000 0.000 0.272 63 L C -0.789 176.080 176.870 -0.001 0.000 0.980 63 L CA -0.408 54.441 54.840 0.016 0.000 0.836 63 L CB 1.347 43.406 42.059 -0.000 0.000 1.238 63 L HN 0.006 nan 8.230 nan 0.000 0.408 64 R N 3.504 124.000 120.500 -0.007 0.000 2.686 64 R HA 0.775 5.115 4.340 -0.000 0.000 0.286 64 R C -1.429 174.814 176.300 -0.095 0.000 0.969 64 R CA -0.988 55.089 56.100 -0.038 0.000 0.898 64 R CB 2.592 32.882 30.300 -0.017 0.000 1.183 64 R HN 0.367 nan 8.270 nan 0.000 0.456 65 V N 4.720 124.567 119.914 -0.112 0.000 2.370 65 V HA 0.341 4.461 4.120 -0.000 0.000 0.283 65 V C -0.110 175.852 176.094 -0.220 0.000 1.023 65 V CA -0.678 61.528 62.300 -0.156 0.000 0.857 65 V CB 1.527 33.285 31.823 -0.109 0.000 0.985 65 V HN 0.546 nan 8.190 nan 0.000 0.443 66 I N 4.788 125.130 120.570 -0.380 0.000 2.306 66 I HA 0.348 4.518 4.170 -0.000 0.000 0.288 66 I C 0.089 176.044 176.117 -0.271 0.000 1.036 66 I CA -0.594 60.408 61.300 -0.496 0.000 1.221 66 I CB 0.793 38.137 38.000 -1.092 0.000 1.385 66 I HN 0.524 nan 8.210 nan 0.000 0.472 67 N N 7.034 125.643 118.700 -0.150 0.000 2.401 67 N HA 0.237 4.977 4.740 -0.000 0.000 0.255 67 N C -0.224 175.294 175.510 0.014 0.000 1.110 67 N CA -0.269 52.767 53.050 -0.024 0.000 0.949 67 N CB 1.725 40.204 38.487 -0.013 0.000 1.110 67 N HN 0.372 nan 8.380 nan 0.000 0.490 68 I N 1.675 122.306 120.570 0.102 0.000 2.304 68 I HA 0.156 4.326 4.170 -0.000 0.000 0.291 68 I C 0.744 176.966 176.117 0.174 0.000 1.018 68 I CA -1.140 60.212 61.300 0.086 0.000 1.260 68 I CB 0.417 38.375 38.000 -0.071 0.000 1.390 68 I HN 0.333 nan 8.210 nan 0.000 0.475 69 A N 6.196 129.103 122.820 0.146 0.000 2.476 69 A HA 0.539 4.859 4.320 -0.000 0.000 0.275 69 A C 0.418 178.076 177.584 0.123 0.000 1.133 69 A CA -0.112 52.020 52.037 0.158 0.000 0.797 69 A CB -0.240 18.840 19.000 0.132 0.000 1.081 69 A HN 0.898 nan 8.150 nan 0.000 0.510 70 A N 3.417 126.322 122.820 0.143 0.000 2.768 70 A HA 0.706 5.026 4.320 -0.000 0.000 0.299 70 A C 0.445 178.071 177.584 0.071 0.000 1.171 70 A CA 0.390 52.503 52.037 0.127 0.000 0.759 70 A CB -0.043 19.107 19.000 0.250 0.000 1.267 70 A HN 2.849 nan 8.150 nan 0.000 0.421 71 G N 2.629 111.432 108.800 0.005 0.000 2.757 71 G HA2 0.039 3.999 3.960 -0.000 0.000 0.638 71 G HA3 0.039 3.999 3.960 -0.000 0.000 0.638 71 G C -2.519 172.317 174.900 -0.107 0.000 1.344 71 G CA -0.399 44.683 45.100 -0.031 0.000 0.855 71 G HN 0.906 nan 8.290 nan 0.000 0.537 72 P HA 0.283 nan 4.420 nan 0.000 0.270 72 P C 0.183 177.424 177.300 -0.098 0.000 1.223 72 P CA -0.055 62.927 63.100 -0.196 0.000 0.785 72 P CB 0.270 31.917 31.700 -0.088 0.000 0.923 73 Y N -1.066 119.246 120.300 0.020 0.000 2.439 73 Y HA 0.036 4.586 4.550 0.000 0.000 0.292 73 Y C 1.327 177.234 175.900 0.011 0.000 1.130 73 Y CA 0.911 59.020 58.100 0.016 0.000 1.254 73 Y CB -0.018 38.450 38.460 0.014 0.000 1.000 73 Y HN 0.280 nan 8.280 nan 0.000 0.554 74 E N -1.505 118.781 120.200 0.143 0.000 2.343 74 E HA 0.488 4.838 4.350 -0.000 0.000 0.270 74 E C 0.592 177.220 176.600 0.046 0.000 0.895 74 E CA 0.069 56.521 56.400 0.086 0.000 0.767 74 E CB 1.985 31.733 29.700 0.080 0.000 1.248 74 E HN 0.098 nan 8.360 nan 0.000 0.440 75 G N 0.994 109.816 108.800 0.037 0.000 2.176 75 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.232 75 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.232 75 G C -0.422 174.491 174.900 0.022 0.000 0.986 75 G CA -0.184 44.931 45.100 0.024 0.000 0.643 75 G HN 0.261 nan 8.290 nan 0.000 0.522 76 L N 2.771 124.010 121.223 0.026 0.000 2.337 76 L HA 0.694 5.034 4.340 -0.000 0.000 0.269 76 L C 0.958 177.845 176.870 0.029 0.000 1.018 76 L CA -0.594 54.260 54.840 0.023 0.000 0.876 76 L CB 0.902 42.973 42.059 0.019 0.000 1.236 76 L HN 0.548 nan 8.230 nan 0.000 0.436 77 S N 2.779 118.497 115.700 0.031 0.000 2.600 77 S HA 0.167 4.637 4.470 -0.000 0.000 0.265 77 S C 1.367 175.992 174.600 0.041 0.000 1.325 77 S CA -0.094 58.130 58.200 0.039 0.000 1.002 77 S CB 0.746 63.971 63.200 0.040 0.000 0.921 77 S HN 0.668 nan 8.310 nan 0.000 0.554 78 K N 0.805 121.237 120.400 0.054 0.000 2.089 78 K HA -0.181 4.139 4.320 -0.000 0.000 0.210 78 K C 1.527 178.151 176.600 0.040 0.000 1.048 78 K CA 1.963 58.276 56.287 0.044 0.000 0.926 78 K CB -0.299 32.235 32.500 0.057 0.000 0.714 78 K HN 0.809 nan 8.250 nan 0.000 0.448 79 E N -0.026 120.213 120.200 0.066 0.000 2.511 79 E HA -0.133 4.217 4.350 -0.000 0.000 0.196 79 E C 0.871 177.516 176.600 0.075 0.000 1.066 79 E CA 0.768 57.223 56.400 0.091 0.000 0.871 79 E CB 0.257 30.008 29.700 0.085 0.000 0.863 79 E HN 0.323 nan 8.360 nan 0.000 0.520 80 E N 0.021 120.249 120.200 0.046 0.000 2.539 80 E HA 0.243 4.593 4.350 -0.000 0.000 0.215 80 E C 1.652 178.262 176.600 0.016 0.000 0.965 80 E CA -0.070 56.352 56.400 0.035 0.000 1.019 80 E CB 0.128 29.845 29.700 0.029 0.000 1.059 80 E HN 0.118 nan 8.360 nan 0.000 0.496 81 L N 0.907 122.126 121.223 -0.007 0.000 2.191 81 L HA -0.067 4.273 4.340 -0.000 0.000 0.212 81 L C -0.894 175.936 176.870 -0.066 0.000 1.103 81 L CA 0.913 55.725 54.840 -0.046 0.000 0.769 81 L CB -1.133 40.877 42.059 -0.083 0.000 0.908 81 L HN 0.128 nan 8.230 nan 0.000 0.438 82 P HA -0.211 nan 4.420 nan 0.000 0.217 82 P C 1.663 178.965 177.300 0.003 0.000 1.148 82 P CA 1.905 64.988 63.100 -0.029 0.000 0.828 82 P CB -0.316 31.440 31.700 0.093 0.000 0.783 83 T N -3.484 111.079 114.554 0.015 0.000 2.849 83 T HA -0.169 4.181 4.350 -0.000 0.000 0.270 83 T C 1.454 176.163 174.700 0.016 0.000 1.066 83 T CA 1.044 63.155 62.100 0.018 0.000 1.130 83 T CB -0.763 68.116 68.868 0.018 0.000 0.864 83 T HN 0.088 nan 8.240 nan 0.000 0.481 84 Q N 0.367 120.173 119.800 0.010 0.000 2.280 84 Q HA 0.390 4.730 4.340 -0.000 0.000 0.202 84 Q C 1.940 177.975 176.000 0.058 0.000 0.903 84 Q CA -0.039 55.785 55.803 0.034 0.000 0.948 84 Q CB -0.213 28.549 28.738 0.039 0.000 1.058 84 Q HN 0.545 nan 8.270 nan 0.000 0.493 85 L N -0.187 121.053 121.223 0.027 0.000 2.046 85 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 85 L C 2.265 179.179 176.870 0.074 0.000 1.077 85 L CA 1.561 56.426 54.840 0.042 0.000 0.747 85 L CB -0.490 41.574 42.059 0.008 0.000 0.896 85 L HN 0.181 nan 8.230 nan 0.000 0.432 86 A N -0.305 122.540 122.820 0.041 0.000 1.872 86 A HA -0.089 4.231 4.320 -0.000 0.000 0.214 86 A C 2.523 180.128 177.584 0.036 0.000 1.187 86 A CA 1.464 53.512 52.037 0.019 0.000 0.614 86 A CB -0.809 18.191 19.000 0.001 0.000 0.826 86 A HN 0.367 nan 8.150 nan 0.000 0.442 87 A N -1.081 121.772 122.820 0.056 0.000 1.908 87 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 87 A C 2.074 179.713 177.584 0.093 0.000 1.181 87 A CA 1.748 53.821 52.037 0.060 0.000 0.627 87 A CB -0.780 18.257 19.000 0.062 0.000 0.818 87 A HN 0.697 nan 8.150 nan 0.000 0.445 88 F N 1.405 121.348 119.950 -0.012 0.000 2.134 88 F HA -0.143 4.384 4.527 -0.000 0.000 0.299 88 F C 2.463 178.249 175.800 -0.022 0.000 1.097 88 F CA 2.239 60.235 58.000 -0.006 0.000 1.264 88 F CB -0.587 38.407 39.000 -0.010 0.000 1.001 88 F HN 0.217 nan 8.300 nan 0.000 0.479 89 T N -0.258 114.281 114.554 -0.024 0.000 2.737 89 T HA -0.097 4.253 4.350 -0.000 0.000 0.265 89 T C 2.198 176.798 174.700 -0.167 0.000 1.038 89 T CA 1.404 63.414 62.100 -0.151 0.000 1.144 89 T CB -1.253 67.561 68.868 -0.090 0.000 0.866 89 T HN 0.441 nan 8.240 nan 0.000 0.434 90 G N 1.138 109.885 108.800 -0.089 0.000 2.440 90 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.218 90 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.218 90 G C 1.766 176.637 174.900 -0.050 0.000 1.154 90 G CA 1.009 46.077 45.100 -0.054 0.000 0.767 90 G HN 0.570 nan 8.290 nan 0.000 0.552 91 G N 0.807 109.559 108.800 -0.081 0.000 2.513 91 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.219 91 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.219 91 G C 1.885 176.734 174.900 -0.086 0.000 1.160 91 G CA 1.207 46.258 45.100 -0.081 0.000 0.767 91 G HN 0.432 nan 8.290 nan 0.000 0.571 92 M N -0.592 118.857 119.600 -0.253 0.000 2.175 92 M HA 0.050 4.530 4.480 -0.000 0.000 0.264 92 M C 2.374 178.716 176.300 0.070 0.000 1.063 92 M CA 0.641 55.817 55.300 -0.207 0.000 1.119 92 M CB -0.190 32.104 32.600 -0.510 0.000 1.377 92 M HN 0.137 nan 8.290 nan 0.000 0.415 93 L N -0.134 121.114 121.223 0.042 0.000 2.027 93 L HA -0.112 4.228 4.340 -0.000 0.000 0.206 93 L C 2.597 179.559 176.870 0.153 0.000 1.074 93 L CA 1.819 56.745 54.840 0.143 0.000 0.745 93 L CB -1.328 40.765 42.059 0.057 0.000 0.898 93 L HN 0.244 nan 8.230 nan 0.000 0.433 94 S N -0.585 115.182 115.700 0.111 0.000 2.383 94 S HA -0.236 4.234 4.470 -0.000 0.000 0.229 94 S C 1.909 176.596 174.600 0.146 0.000 1.030 94 S CA 1.348 59.612 58.200 0.105 0.000 1.002 94 S CB -0.759 62.494 63.200 0.089 0.000 0.829 94 S HN 0.386 nan 8.310 nan 0.000 0.467 95 F N 3.298 123.294 119.950 0.077 0.000 2.113 95 F HA -0.170 4.357 4.527 -0.000 0.000 0.297 95 F C 2.743 178.621 175.800 0.128 0.000 1.103 95 F CA 1.822 59.892 58.000 0.116 0.000 1.248 95 F CB -0.987 38.124 39.000 0.185 0.000 0.999 95 F HN 0.302 nan 8.300 nan 0.000 0.475 96 T N -1.230 113.492 114.554 0.279 0.000 2.833 96 T HA -0.149 4.201 4.350 -0.000 0.000 0.269 96 T C 2.190 176.867 174.700 -0.038 0.000 1.054 96 T CA 1.012 63.195 62.100 0.139 0.000 1.135 96 T CB -0.523 68.497 68.868 0.253 0.000 0.869 96 T HN 0.260 nan 8.240 nan 0.000 0.466 97 R N 0.902 121.406 120.500 0.007 0.000 2.082 97 R HA 0.026 4.366 4.340 -0.000 0.000 0.228 97 R C 2.922 179.165 176.300 -0.094 0.000 1.140 97 R CA 1.514 57.596 56.100 -0.030 0.000 0.920 97 R CB -0.443 29.863 30.300 0.010 0.000 0.828 97 R HN 0.376 nan 8.270 nan 0.000 0.430 98 R N 0.490 120.924 120.500 -0.110 0.000 2.133 98 R HA -0.213 4.127 4.340 -0.000 0.000 0.245 98 R C 1.837 178.002 176.300 -0.224 0.000 1.137 98 R CA 1.988 57.997 56.100 -0.151 0.000 0.947 98 R CB -0.221 29.985 30.300 -0.156 0.000 0.865 98 R HN 0.149 nan 8.270 nan 0.000 0.437 99 E N 0.088 120.059 120.200 -0.381 0.000 2.489 99 E HA -0.006 4.344 4.350 -0.000 0.000 0.193 99 E C -0.481 175.971 176.600 -0.247 0.000 1.057 99 E CA 0.101 56.267 56.400 -0.391 0.000 0.866 99 E CB 0.251 29.521 29.700 -0.717 0.000 0.916 99 E HN 0.007 nan 8.360 nan 0.000 0.500 100 K N -0.561 119.720 120.400 -0.198 0.000 3.278 100 K HA -0.160 4.160 4.320 -0.000 0.000 0.270 100 K C -1.267 175.220 176.600 -0.188 0.000 0.955 100 K CA 0.601 56.792 56.287 -0.160 0.000 0.723 100 K CB -1.390 31.035 32.500 -0.125 0.000 1.382 100 K HN 0.086 nan 8.250 nan 0.000 0.461 101 V N 0.722 120.500 119.914 -0.227 0.000 2.588 101 V HA 0.794 4.913 4.120 -0.000 0.000 0.304 101 V C -0.432 175.385 176.094 -0.462 0.000 1.042 101 V CA 0.377 62.491 62.300 -0.310 0.000 0.877 101 V CB 2.130 33.799 31.823 -0.257 0.000 0.996 101 V HN 0.435 nan 8.190 nan 0.000 0.425 102 T N 3.521 117.750 114.554 -0.541 0.000 2.887 102 T HA 0.749 5.099 4.350 -0.000 0.000 0.288 102 T C -1.056 173.243 174.700 -0.668 0.000 1.021 102 T CA -0.523 61.211 62.100 -0.610 0.000 1.000 102 T CB 1.578 70.207 68.868 -0.398 0.000 1.034 102 T HN 0.537 nan 8.240 nan 0.000 0.467 103 Y N -0.023 120.124 120.300 -0.254 0.000 2.567 103 Y HA 0.440 4.990 4.550 -0.000 0.000 0.333 103 Y C 1.102 176.986 175.900 -0.026 0.000 1.106 103 Y CA -1.050 57.008 58.100 -0.070 0.000 1.157 103 Y CB 1.443 39.922 38.460 0.032 0.000 1.277 103 Y HN 0.664 nan 8.280 nan 0.000 0.490 104 D N 0.688 121.194 120.400 0.177 0.000 2.366 104 D HA 0.123 4.763 4.640 -0.000 0.000 0.205 104 D C -0.459 175.911 176.300 0.117 0.000 1.022 104 D CA 0.805 54.872 54.000 0.112 0.000 0.868 104 D CB 1.067 41.915 40.800 0.079 0.000 0.953 104 D HN 0.326 nan 8.370 nan 0.000 0.514 105 L N 0.395 121.699 121.223 0.134 0.000 2.591 105 L HA 0.372 4.712 4.340 -0.000 0.000 0.257 105 L C -1.921 174.976 176.870 0.045 0.000 0.935 105 L CA -0.606 54.258 54.840 0.041 0.000 0.873 105 L CB 2.423 44.409 42.059 -0.122 0.000 1.397 105 L HN -0.301 nan 8.230 nan 0.000 0.414 106 I N 3.121 123.720 120.570 0.047 0.000 2.377 106 I HA 0.367 4.537 4.170 -0.000 0.000 0.293 106 I C -0.667 175.488 176.117 0.064 0.000 0.987 106 I CA -0.329 61.007 61.300 0.060 0.000 1.185 106 I CB 1.522 39.575 38.000 0.089 0.000 1.341 106 I HN 0.565 nan 8.210 nan 0.000 0.455 107 H N 5.330 124.382 119.070 -0.031 0.000 2.587 107 H HA 0.491 5.047 4.556 -0.000 0.000 0.325 107 H C -0.690 174.646 175.328 0.013 0.000 1.012 107 H CA -0.697 55.342 56.048 -0.016 0.000 1.213 107 H CB 1.120 30.911 29.762 0.048 0.000 1.431 107 H HN 0.689 nan 8.280 nan 0.000 0.492 108 S N 4.739 120.560 115.700 0.202 0.000 2.549 108 S HA 0.356 4.826 4.470 -0.000 0.000 0.297 108 S C -0.799 173.715 174.600 -0.144 0.000 1.115 108 S CA -0.919 57.367 58.200 0.142 0.000 1.059 108 S CB 1.734 65.119 63.200 0.308 0.000 1.046 108 S HN 0.685 nan 8.310 nan 0.000 0.506 109 H N 1.561 120.735 119.070 0.173 0.000 2.646 109 H HA 0.434 4.990 4.556 0.000 0.000 0.328 109 H C -0.943 174.611 175.328 0.377 0.000 0.998 109 H CA -0.011 56.153 56.048 0.193 0.000 1.225 109 H CB 0.855 30.705 29.762 0.146 0.000 1.457 109 H HN 0.836 nan 8.280 nan 0.000 0.505 110 Y N 2.137 122.624 120.300 0.311 0.000 2.519 110 Y HA -0.291 4.259 4.550 0.000 0.000 0.021 110 Y C 0.777 176.912 175.900 0.392 0.000 1.717 110 Y CA -0.265 58.037 58.100 0.337 0.000 1.410 110 Y CB -0.235 38.385 38.460 0.267 0.000 2.057 110 Y HN 0.780 nan 8.280 nan 0.000 0.256 111 W N 4.312 125.443 121.300 -0.280 0.000 2.342 111 W HA -0.190 4.470 4.660 0.000 0.000 0.297 111 W C 1.305 177.776 176.519 -0.080 0.000 1.213 111 W CA 1.864 59.098 57.345 -0.184 0.000 1.251 111 W CB -1.408 27.860 29.460 -0.321 0.000 1.136 111 W HN 0.680 nan 8.180 nan 0.000 0.526 112 L N 1.712 122.430 121.223 -0.840 0.000 2.013 112 L HA -0.259 4.081 4.340 -0.000 0.000 0.212 112 L C 2.932 179.691 176.870 -0.184 0.000 1.073 112 L CA 2.234 56.668 54.840 -0.677 0.000 0.753 112 L CB -1.234 40.398 42.059 -0.711 0.000 0.890 112 L HN -0.082 nan 8.230 nan 0.000 0.432 113 S N -0.064 115.628 115.700 -0.014 0.000 2.368 113 S HA -0.126 4.344 4.470 -0.000 0.000 0.225 113 S C 2.030 176.706 174.600 0.127 0.000 1.030 113 S CA 1.177 59.440 58.200 0.105 0.000 0.999 113 S CB -0.632 62.697 63.200 0.215 0.000 0.844 113 S HN 0.624 nan 8.310 nan 0.000 0.459 114 G N 1.564 110.436 108.800 0.120 0.000 2.421 114 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.216 114 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.216 114 G C 1.342 176.263 174.900 0.035 0.000 1.171 114 G CA 0.610 45.666 45.100 -0.075 0.000 0.775 114 G HN 0.356 nan 8.290 nan 0.000 0.543 115 Q N 0.175 120.032 119.800 0.094 0.000 2.152 115 Q HA -0.108 4.232 4.340 -0.000 0.000 0.206 115 Q C 2.941 179.013 176.000 0.119 0.000 0.985 115 Q CA 1.306 57.225 55.803 0.194 0.000 0.863 115 Q CB -0.691 28.150 28.738 0.171 0.000 0.904 115 Q HN 0.444 nan 8.270 nan 0.000 0.422 116 V N 0.157 120.116 119.914 0.075 0.000 2.270 116 V HA -0.156 3.964 4.120 -0.000 0.000 0.245 116 V C 2.369 178.462 176.094 -0.003 0.000 1.043 116 V CA 1.936 64.264 62.300 0.046 0.000 1.014 116 V CB -1.247 30.660 31.823 0.140 0.000 0.645 116 V HN 0.435 nan 8.190 nan 0.000 0.447 117 G N -1.282 107.547 108.800 0.048 0.000 2.432 117 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.219 117 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.219 117 G C 1.345 176.292 174.900 0.078 0.000 1.135 117 G CA 0.726 45.844 45.100 0.030 0.000 0.767 117 G HN 0.610 nan 8.290 nan 0.000 0.550 118 W N 1.030 122.274 121.300 -0.093 0.000 2.388 118 W HA 0.105 4.765 4.660 -0.000 0.000 0.294 118 W C 2.130 178.586 176.519 -0.106 0.000 1.212 118 W CA 0.801 58.093 57.345 -0.089 0.000 1.271 118 W CB -0.692 28.719 29.460 -0.082 0.000 1.126 118 W HN 0.162 nan 8.180 nan 0.000 0.535 119 L N 0.136 121.243 121.223 -0.194 0.000 2.005 119 L HA -0.202 4.138 4.340 -0.000 0.000 0.207 119 L C 2.574 179.252 176.870 -0.320 0.000 1.072 119 L CA 1.782 56.416 54.840 -0.343 0.000 0.744 119 L CB -0.735 41.146 42.059 -0.298 0.000 0.895 119 L HN -0.053 nan 8.230 nan 0.000 0.433 120 L N -0.211 120.787 121.223 -0.375 0.000 2.042 120 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 120 L C 2.827 179.452 176.870 -0.409 0.000 1.076 120 L CA 1.648 56.092 54.840 -0.660 0.000 0.749 120 L CB -0.722 40.840 42.059 -0.827 0.000 0.893 120 L HN 0.416 nan 8.230 nan 0.000 0.432 121 R N -0.007 120.413 120.500 -0.133 0.000 2.096 121 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 121 R C 1.595 177.920 176.300 0.041 0.000 1.127 121 R CA 1.785 57.903 56.100 0.030 0.000 0.968 121 R CB -0.913 29.446 30.300 0.099 0.000 0.861 121 R HN 0.229 nan 8.270 nan 0.000 0.440 122 D N 0.419 120.814 120.400 -0.007 0.000 2.117 122 D HA -0.112 4.528 4.640 -0.000 0.000 0.198 122 D C 1.864 178.151 176.300 -0.021 0.000 0.982 122 D CA 1.280 55.277 54.000 -0.006 0.000 0.828 122 D CB -0.296 40.474 40.800 -0.050 0.000 0.967 122 D HN 0.213 nan 8.370 nan 0.000 0.464 123 L N -0.053 121.104 121.223 -0.110 0.000 1.976 123 L HA -0.147 4.193 4.340 -0.000 0.000 0.209 123 L C 1.800 178.743 176.870 0.122 0.000 1.071 123 L CA 1.492 56.286 54.840 -0.077 0.000 0.746 123 L CB -0.450 41.457 42.059 -0.253 0.000 0.890 123 L HN 0.078 nan 8.230 nan 0.000 0.432 124 W N 0.456 121.767 121.300 0.018 0.000 3.047 124 W HA 0.173 4.833 4.660 0.000 0.000 0.250 124 W C 0.696 177.236 176.519 0.035 0.000 1.314 124 W CA 0.107 57.471 57.345 0.032 0.000 1.540 124 W CB -0.825 28.667 29.460 0.054 0.000 1.127 124 W HN 0.211 nan 8.180 nan 0.000 0.679 125 R N 0.313 120.948 120.500 0.225 0.000 3.267 125 R HA -0.202 4.138 4.340 -0.000 0.000 0.254 125 R C -0.223 176.168 176.300 0.152 0.000 0.993 125 R CA 0.934 57.123 56.100 0.148 0.000 0.670 125 R CB -2.827 27.541 30.300 0.113 0.000 1.125 125 R HN 0.293 nan 8.270 nan 0.000 0.434 126 I N -3.744 116.932 120.570 0.176 0.000 2.934 126 I HA 0.741 4.911 4.170 -0.000 0.000 0.306 126 I C -2.433 173.756 176.117 0.120 0.000 1.110 126 I CA -3.173 58.219 61.300 0.154 0.000 1.019 126 I CB 2.537 40.661 38.000 0.207 0.000 1.227 126 I HN -0.245 nan 8.210 nan 0.000 0.434 127 P HA 0.185 nan 4.420 nan 0.000 0.272 127 P C -1.102 176.231 177.300 0.055 0.000 1.223 127 P CA -0.224 62.913 63.100 0.061 0.000 0.784 127 P CB 1.327 33.050 31.700 0.039 0.000 0.923 128 L N 3.325 124.576 121.223 0.048 0.000 2.305 128 L HA 0.406 4.746 4.340 -0.000 0.000 0.284 128 L C -0.722 176.160 176.870 0.019 0.000 1.013 128 L CA -0.671 54.197 54.840 0.047 0.000 0.819 128 L CB 0.504 42.604 42.059 0.069 0.000 1.227 128 L HN 0.147 nan 8.230 nan 0.000 0.417 129 I N 4.730 125.293 120.570 -0.011 0.000 2.336 129 I HA 0.324 4.494 4.170 -0.000 0.000 0.292 129 I C -0.534 175.623 176.117 0.067 0.000 0.991 129 I CA -0.439 60.819 61.300 -0.071 0.000 1.227 129 I CB 0.974 38.788 38.000 -0.310 0.000 1.366 129 I HN 0.696 nan 8.210 nan 0.000 0.466 130 H N 3.910 122.961 119.070 -0.031 0.000 2.589 130 H HA 0.571 5.127 4.556 -0.000 0.000 0.351 130 H C -1.097 174.220 175.328 -0.019 0.000 1.074 130 H CA -0.206 55.848 56.048 0.010 0.000 1.203 130 H CB 1.562 31.308 29.762 -0.026 0.000 1.558 130 H HN 0.547 nan 8.280 nan 0.000 0.522 131 T N 4.722 118.837 114.554 -0.733 0.000 2.786 131 T HA 0.444 4.794 4.350 -0.000 0.000 0.283 131 T C 1.038 175.223 174.700 -0.858 0.000 0.992 131 T CA 0.012 61.714 62.100 -0.664 0.000 0.954 131 T CB 1.490 70.024 68.868 -0.558 0.000 0.934 131 T HN 0.787 nan 8.240 nan 0.000 0.440 132 A N 2.653 125.164 122.820 -0.515 0.000 1.929 132 A HA -0.011 4.309 4.320 -0.000 0.000 0.216 132 A C 1.593 179.226 177.584 0.082 0.000 1.176 132 A CA 1.441 53.386 52.037 -0.154 0.000 0.628 132 A CB -0.607 18.343 19.000 -0.084 0.000 0.816 132 A HN 1.081 nan 8.150 nan 0.000 0.444 133 H N -0.764 118.318 119.070 0.020 0.000 5.079 133 H HA -0.204 4.352 4.556 -0.000 0.000 0.060 133 H C 0.478 175.888 175.328 0.137 0.000 0.559 133 H CA 2.102 58.202 56.048 0.086 0.000 0.996 133 H CB -2.180 27.659 29.762 0.129 0.000 0.490 133 H HN 0.747 nan 8.280 nan 0.000 0.776 134 T N -0.055 114.693 114.554 0.323 0.000 2.903 134 T HA 0.754 5.104 4.350 -0.000 0.000 0.299 134 T C -0.152 174.629 174.700 0.136 0.000 1.093 134 T CA -0.966 61.263 62.100 0.214 0.000 1.002 134 T CB 2.926 71.933 68.868 0.232 0.000 1.127 134 T HN 0.227 nan 8.240 nan 0.000 0.488 135 L N 1.443 122.704 121.223 0.063 0.000 2.381 135 L HA 0.682 5.022 4.340 -0.000 0.000 0.268 135 L C 1.634 178.509 176.870 0.008 0.000 0.997 135 L CA -1.400 53.448 54.840 0.014 0.000 0.818 135 L CB 1.758 43.833 42.059 0.027 0.000 1.310 135 L HN 0.942 nan 8.230 nan 0.000 0.416 136 A N 2.536 125.338 122.820 -0.029 0.000 1.869 136 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 136 A C 2.141 179.682 177.584 -0.071 0.000 1.203 136 A CA 2.379 54.373 52.037 -0.071 0.000 0.638 136 A CB -0.718 18.200 19.000 -0.137 0.000 0.831 136 A HN 0.896 nan 8.150 nan 0.000 0.450 137 A N -1.439 121.353 122.820 -0.047 0.000 2.172 137 A HA 0.384 4.704 4.320 -0.000 0.000 0.216 137 A C 1.073 178.378 177.584 -0.465 0.000 1.154 137 A CA 1.055 52.937 52.037 -0.258 0.000 0.701 137 A CB -0.432 18.305 19.000 -0.439 0.000 0.789 137 A HN 0.319 nan 8.150 nan 0.000 0.465 147 D N 2.902 123.280 120.400 -0.037 0.000 2.363 147 D HA 0.434 5.074 4.640 -0.000 0.000 0.263 147 D C 0.542 176.821 176.300 -0.035 0.000 1.258 147 D CA 0.163 54.138 54.000 -0.042 0.000 0.907 147 D CB 0.542 41.319 40.800 -0.039 0.000 1.107 147 D HN 0.724 nan 8.370 nan 0.000 0.495 148 T N -1.260 113.271 114.554 -0.037 0.000 2.906 148 T HA 0.495 4.845 4.350 -0.000 0.000 0.295 148 T C -2.152 172.529 174.700 -0.033 0.000 1.075 148 T CA -2.108 59.975 62.100 -0.028 0.000 1.005 148 T CB 1.949 70.804 68.868 -0.021 0.000 1.136 148 T HN -0.114 nan 8.240 nan 0.000 0.498 149 P HA -0.176 nan 4.420 nan 0.000 0.216 149 P C 1.647 178.928 177.300 -0.032 0.000 1.153 149 P CA 1.234 64.318 63.100 -0.025 0.000 0.858 149 P CB 0.102 31.794 31.700 -0.013 0.000 0.789 150 E N -0.368 119.820 120.200 -0.020 0.000 2.110 150 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 150 E C 2.076 178.639 176.600 -0.063 0.000 0.988 150 E CA 1.505 57.896 56.400 -0.014 0.000 0.804 150 E CB -1.418 28.296 29.700 0.023 0.000 0.745 150 E HN 0.222 nan 8.360 nan 0.000 0.458 151 S N 0.835 116.495 115.700 -0.067 0.000 2.356 151 S HA -0.162 4.308 4.470 -0.000 0.000 0.223 151 S C 1.912 176.426 174.600 -0.144 0.000 1.032 151 S CA 1.078 59.215 58.200 -0.105 0.000 1.005 151 S CB -0.085 63.069 63.200 -0.077 0.000 0.867 151 S HN 0.137 nan 8.310 nan 0.000 0.449 152 E N 1.129 121.264 120.200 -0.109 0.000 2.118 152 E HA -0.074 4.276 4.350 -0.000 0.000 0.195 152 E C 2.322 178.840 176.600 -0.137 0.000 0.992 152 E CA 1.167 57.501 56.400 -0.110 0.000 0.804 152 E CB -0.650 29.005 29.700 -0.075 0.000 0.741 152 E HN 0.631 nan 8.360 nan 0.000 0.458 153 A N 1.218 123.955 122.820 -0.139 0.000 1.930 153 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 153 A C 2.208 179.597 177.584 -0.324 0.000 1.175 153 A CA 1.469 53.416 52.037 -0.150 0.000 0.627 153 A CB -0.426 18.526 19.000 -0.080 0.000 0.815 153 A HN 0.125 nan 8.150 nan 0.000 0.443 154 R N 0.384 120.588 120.500 -0.494 0.000 2.073 154 R HA -0.215 4.125 4.340 -0.000 0.000 0.234 154 R C 2.437 178.354 176.300 -0.639 0.000 1.134 154 R CA 1.920 57.437 56.100 -0.971 0.000 0.952 154 R CB -0.290 29.476 30.300 -0.890 0.000 0.850 154 R HN 0.670 nan 8.270 nan 0.000 0.433 155 R N -0.091 120.216 120.500 -0.323 0.000 2.115 155 R HA -0.050 4.290 4.340 -0.000 0.000 0.230 155 R C 2.241 178.498 176.300 -0.072 0.000 1.111 155 R CA 1.581 57.608 56.100 -0.121 0.000 0.976 155 R CB -0.794 29.467 30.300 -0.065 0.000 0.870 155 R HN 0.244 nan 8.270 nan 0.000 0.445 156 I N 1.101 121.598 120.570 -0.122 0.000 2.208 156 I HA -0.369 3.801 4.170 -0.000 0.000 0.245 156 I C 2.246 178.328 176.117 -0.059 0.000 1.097 156 I CA 1.281 62.540 61.300 -0.068 0.000 1.363 156 I CB -0.298 37.667 38.000 -0.058 0.000 1.051 156 I HN 0.352 nan 8.210 nan 0.000 0.413 157 C N 0.502 119.719 119.300 -0.138 0.000 2.436 157 C HA -0.147 4.313 4.460 -0.000 0.000 0.277 157 C C 2.668 177.610 174.990 -0.080 0.000 1.241 157 C CA 0.880 59.858 59.018 -0.068 0.000 1.721 157 C CB -1.007 26.679 27.740 -0.090 0.000 2.043 157 C HN 0.490 nan 8.230 nan 0.000 0.472 158 E N 0.106 120.207 120.200 -0.166 0.000 2.118 158 E HA -0.295 4.055 4.350 -0.000 0.000 0.195 158 E C 2.110 178.640 176.600 -0.118 0.000 0.992 158 E CA 1.379 57.682 56.400 -0.161 0.000 0.804 158 E CB -0.236 29.329 29.700 -0.224 0.000 0.741 158 E HN 0.562 nan 8.360 nan 0.000 0.458 159 Q N 1.084 120.917 119.800 0.056 0.000 2.084 159 Q HA -0.199 4.141 4.340 -0.000 0.000 0.202 159 Q C 1.941 177.901 176.000 -0.068 0.000 0.978 159 Q CA 1.646 57.513 55.803 0.106 0.000 0.844 159 Q CB -0.023 28.784 28.738 0.115 0.000 0.898 159 Q HN 0.259 nan 8.270 nan 0.000 0.426 160 Q N -0.415 119.314 119.800 -0.118 0.000 2.077 160 Q HA -0.176 4.164 4.340 -0.000 0.000 0.206 160 Q C 2.133 177.818 176.000 -0.525 0.000 0.989 160 Q CA 1.782 57.418 55.803 -0.278 0.000 0.853 160 Q CB -0.205 28.439 28.738 -0.156 0.000 0.907 160 Q HN 0.412 nan 8.270 nan 0.000 0.418 161 L N -0.450 120.524 121.223 -0.416 0.000 1.994 161 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 161 L C 2.385 179.055 176.870 -0.333 0.000 1.071 161 L CA 0.857 55.422 54.840 -0.460 0.000 0.745 161 L CB -0.664 41.127 42.059 -0.448 0.000 0.892 161 L HN 0.111 nan 8.230 nan 0.000 0.431 162 V N 0.118 119.896 119.914 -0.227 0.000 2.317 162 V HA -0.348 3.772 4.120 -0.000 0.000 0.251 162 V C 1.855 177.860 176.094 -0.148 0.000 1.065 162 V CA 2.124 64.334 62.300 -0.150 0.000 1.049 162 V CB -0.544 31.226 31.823 -0.088 0.000 0.651 162 V HN 0.489 nan 8.190 nan 0.000 0.450 163 D N -0.870 119.416 120.400 -0.191 0.000 2.347 163 D HA -0.016 4.624 4.640 -0.000 0.000 0.213 163 D C 1.610 177.765 176.300 -0.241 0.000 0.985 163 D CA 0.617 54.509 54.000 -0.179 0.000 0.879 163 D CB -0.032 40.678 40.800 -0.149 0.000 0.919 163 D HN 0.503 nan 8.370 nan 0.000 0.526 164 N N -0.424 118.046 118.700 -0.384 0.000 2.166 164 N HA 0.105 4.845 4.740 -0.000 0.000 0.222 164 N C 0.295 175.615 175.510 -0.316 0.000 1.282 164 N CA -0.062 52.727 53.050 -0.435 0.000 0.890 164 N CB 1.224 39.123 38.487 -0.980 0.000 1.114 164 N HN -0.052 nan 8.380 nan 0.000 0.494 165 A N 1.361 124.013 122.820 -0.281 0.000 2.462 165 A HA 0.107 4.427 4.320 -0.000 0.000 0.243 165 A C 0.906 178.446 177.584 -0.073 0.000 1.076 165 A CA 0.077 52.028 52.037 -0.144 0.000 0.773 165 A CB 0.451 19.397 19.000 -0.089 0.000 1.010 165 A HN 0.068 nan 8.150 nan 0.000 0.493 166 D N 0.613 120.996 120.400 -0.029 0.000 2.097 166 D HA -0.046 4.594 4.640 -0.000 0.000 0.195 166 D C 0.271 176.564 176.300 -0.011 0.000 0.989 166 D CA 1.664 55.658 54.000 -0.010 0.000 0.827 166 D CB -0.011 40.795 40.800 0.011 0.000 0.966 166 D HN 0.269 nan 8.370 nan 0.000 0.456 167 V N 1.201 121.109 119.914 -0.009 0.000 2.656 167 V HA 0.276 4.396 4.120 -0.000 0.000 0.307 167 V C -0.174 175.914 176.094 -0.009 0.000 1.051 167 V CA -0.638 61.657 62.300 -0.010 0.000 0.893 167 V CB 2.502 34.322 31.823 -0.005 0.000 0.999 167 V HN -0.025 nan 8.190 nan 0.000 0.426 168 L N 4.398 125.613 121.223 -0.013 0.000 2.314 168 L HA 0.600 4.940 4.340 -0.000 0.000 0.275 168 L C 0.723 177.578 176.870 -0.025 0.000 1.068 168 L CA -0.336 54.495 54.840 -0.013 0.000 0.894 168 L CB 1.073 43.119 42.059 -0.022 0.000 1.275 168 L HN 0.767 nan 8.230 nan 0.000 0.432 169 A N 3.873 126.671 122.820 -0.037 0.000 2.444 169 A HA 0.509 4.829 4.320 -0.000 0.000 0.273 169 A C 0.076 177.636 177.584 -0.041 0.000 1.136 169 A CA -0.282 51.744 52.037 -0.018 0.000 0.799 169 A CB 0.264 19.270 19.000 0.010 0.000 1.081 169 A HN 0.522 nan 8.150 nan 0.000 0.509 170 V N 0.962 120.873 119.914 -0.005 0.000 3.046 170 V HA 0.562 4.682 4.120 -0.000 0.000 0.316 170 V C 0.280 176.413 176.094 0.066 0.000 1.104 170 V CA -0.924 61.376 62.300 0.000 0.000 1.006 170 V CB 2.063 33.893 31.823 0.011 0.000 1.058 170 V HN 0.719 nan 8.190 nan 0.000 0.440 171 N N 0.989 119.753 118.700 0.106 0.000 2.356 171 N HA 0.119 4.859 4.740 -0.000 0.000 0.178 171 N C 0.641 176.289 175.510 0.229 0.000 1.075 171 N CA 1.040 54.205 53.050 0.190 0.000 0.889 171 N CB 0.783 39.434 38.487 0.273 0.000 0.999 171 N HN 1.026 nan 8.380 nan 0.000 0.464 172 T N -2.771 111.905 114.554 0.203 0.000 2.841 172 T HA 0.228 4.578 4.350 -0.000 0.000 0.296 172 T C 0.567 175.350 174.700 0.138 0.000 1.166 172 T CA -0.613 61.617 62.100 0.216 0.000 1.007 172 T CB 2.205 71.226 68.868 0.255 0.000 1.253 172 T HN -0.323 nan 8.240 nan 0.000 0.511 173 Q N 0.266 120.143 119.800 0.128 0.000 2.084 173 Q HA -0.075 4.265 4.340 -0.000 0.000 0.202 173 Q C 1.917 177.973 176.000 0.094 0.000 0.978 173 Q CA 1.487 57.346 55.803 0.094 0.000 0.844 173 Q CB -0.251 28.538 28.738 0.086 0.000 0.898 173 Q HN 0.709 nan 8.270 nan 0.000 0.426 174 E N 0.927 121.189 120.200 0.104 0.000 2.118 174 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 174 E C 1.831 178.502 176.600 0.118 0.000 0.992 174 E CA 0.798 57.261 56.400 0.105 0.000 0.804 174 E CB 0.085 29.839 29.700 0.090 0.000 0.741 174 E HN 0.452 nan 8.360 nan 0.000 0.458 175 E N 0.156 120.424 120.200 0.112 0.000 2.051 175 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 175 E C 2.156 178.808 176.600 0.085 0.000 0.991 175 E CA 1.072 57.534 56.400 0.104 0.000 0.799 175 E CB -0.101 29.657 29.700 0.096 0.000 0.748 175 E HN 0.144 nan 8.360 nan 0.000 0.449 176 M N 0.511 120.150 119.600 0.066 0.000 2.106 176 M HA -0.286 4.194 4.480 -0.000 0.000 0.259 176 M C 1.982 178.298 176.300 0.027 0.000 1.068 176 M CA 1.562 56.885 55.300 0.037 0.000 1.100 176 M CB 0.095 32.713 32.600 0.029 0.000 1.351 176 M HN 0.014 nan 8.290 nan 0.000 0.404 177 Q N 0.578 120.413 119.800 0.059 0.000 2.084 177 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 177 Q C 1.740 177.820 176.000 0.134 0.000 0.978 177 Q CA 1.846 57.690 55.803 0.069 0.000 0.844 177 Q CB -0.846 28.006 28.738 0.190 0.000 0.898 177 Q HN 0.603 nan 8.270 nan 0.000 0.426 178 D N 0.227 120.752 120.400 0.208 0.000 2.123 178 D HA -0.136 4.504 4.640 -0.000 0.000 0.196 178 D C 1.930 178.424 176.300 0.323 0.000 0.992 178 D CA 0.651 54.846 54.000 0.325 0.000 0.833 178 D CB -0.112 40.860 40.800 0.286 0.000 0.954 178 D HN 0.090 nan 8.370 nan 0.000 0.455 179 L N -0.081 121.255 121.223 0.187 0.000 2.156 179 L HA 0.004 4.344 4.340 -0.000 0.000 0.208 179 L C 2.281 179.225 176.870 0.123 0.000 1.095 179 L CA 1.209 56.149 54.840 0.166 0.000 0.770 179 L CB -0.308 41.772 42.059 0.035 0.000 0.914 179 L HN 0.023 nan 8.230 nan 0.000 0.439 180 M N -2.213 117.375 119.600 -0.021 0.000 2.193 180 M HA -0.133 4.347 4.480 -0.000 0.000 0.265 180 M C 2.221 178.413 176.300 -0.180 0.000 1.071 180 M CA 1.147 56.357 55.300 -0.150 0.000 1.140 180 M CB -0.434 31.985 32.600 -0.302 0.000 1.369 180 M HN 0.251 nan 8.290 nan 0.000 0.423 181 H N -1.053 118.021 119.070 0.006 0.000 2.317 181 H HA -0.020 4.536 4.556 -0.000 0.000 0.304 181 H C 1.961 177.185 175.328 -0.174 0.000 1.067 181 H CA 1.246 57.226 56.048 -0.114 0.000 1.352 181 H CB -0.508 29.136 29.762 -0.198 0.000 1.398 181 H HN 0.448 nan 8.280 nan 0.000 0.510 182 H N -1.067 118.075 119.070 0.120 0.000 2.512 182 H HA -0.009 4.547 4.556 -0.000 0.000 0.279 182 H C 0.655 175.776 175.328 -0.346 0.000 0.999 182 H CA 0.804 56.794 56.048 -0.096 0.000 1.283 182 H CB 0.436 30.147 29.762 -0.085 0.000 1.421 182 H HN 0.393 nan 8.280 nan 0.000 0.554 183 Y N -0.659 119.691 120.300 0.084 0.000 2.610 183 Y HA 0.110 4.660 4.550 0.000 0.000 0.254 183 Y C 0.219 176.111 175.900 -0.013 0.000 1.110 183 Y CA -0.391 57.724 58.100 0.024 0.000 1.238 183 Y CB 0.935 39.402 38.460 0.011 0.000 1.322 183 Y HN -0.022 nan 8.280 nan 0.000 0.547 184 D N 1.160 121.609 120.400 0.082 0.000 2.708 184 D HA -0.180 4.460 4.640 -0.000 0.000 0.236 184 D C 0.121 176.436 176.300 0.024 0.000 1.146 184 D CA 0.665 54.680 54.000 0.026 0.000 0.662 184 D CB -0.722 40.085 40.800 0.011 0.000 1.059 184 D HN 0.372 nan 8.370 nan 0.000 0.428 185 A N 0.649 123.486 122.820 0.030 0.000 2.371 185 A HA 0.361 4.681 4.320 -0.000 0.000 0.257 185 A C 0.364 177.936 177.584 -0.020 0.000 1.089 185 A CA -0.116 51.923 52.037 0.004 0.000 0.794 185 A CB 0.635 19.637 19.000 0.003 0.000 1.029 185 A HN 0.302 nan 8.150 nan 0.000 0.488 186 D N 2.031 122.418 120.400 -0.022 0.000 2.343 186 D HA 0.242 4.882 4.640 -0.000 0.000 0.255 186 D C -1.644 174.641 176.300 -0.024 0.000 1.187 186 D CA -1.744 52.242 54.000 -0.023 0.000 0.875 186 D CB 1.159 41.946 40.800 -0.021 0.000 1.136 186 D HN 0.124 nan 8.370 nan 0.000 0.469 187 P HA -0.061 nan 4.420 nan 0.000 0.220 187 P C 0.548 177.839 177.300 -0.015 0.000 1.148 187 P CA 0.596 63.682 63.100 -0.023 0.000 0.803 187 P CB 0.349 32.035 31.700 -0.025 0.000 0.782 188 D N -0.794 119.598 120.400 -0.013 0.000 2.378 188 D HA -0.075 4.565 4.640 -0.000 0.000 0.222 188 D C 1.620 177.915 176.300 -0.008 0.000 0.980 188 D CA 0.702 54.697 54.000 -0.008 0.000 0.907 188 D CB -0.146 40.650 40.800 -0.006 0.000 0.899 188 D HN 0.294 nan 8.370 nan 0.000 0.527 189 R N -0.326 120.166 120.500 -0.013 0.000 2.365 189 R HA 0.272 4.612 4.340 -0.000 0.000 0.223 189 R C 0.627 176.919 176.300 -0.013 0.000 0.899 189 R CA -0.073 56.019 56.100 -0.014 0.000 1.059 189 R CB 1.165 31.451 30.300 -0.023 0.000 1.086 189 R HN 0.142 nan 8.270 nan 0.000 0.522 190 I N 2.068 122.630 120.570 -0.012 0.000 2.396 190 I HA 0.109 4.279 4.170 -0.000 0.000 0.292 190 I C 0.182 176.297 176.117 -0.003 0.000 0.999 190 I CA -0.364 60.930 61.300 -0.010 0.000 1.310 190 I CB 1.620 39.614 38.000 -0.010 0.000 1.404 190 I HN -0.028 nan 8.210 nan 0.000 0.496 191 S N 4.804 120.504 115.700 0.000 0.000 2.571 191 S HA 0.580 5.050 4.470 -0.000 0.000 0.284 191 S C -0.761 173.847 174.600 0.013 0.000 1.128 191 S CA -0.869 57.334 58.200 0.005 0.000 0.970 191 S CB 1.634 64.836 63.200 0.003 0.000 1.039 191 S HN 0.256 nan 8.310 nan 0.000 0.485 192 V N 2.706 122.630 119.914 0.017 0.000 2.555 192 V HA 0.406 4.526 4.120 -0.000 0.000 0.286 192 V C -0.262 175.846 176.094 0.023 0.000 1.044 192 V CA -0.418 61.900 62.300 0.030 0.000 1.026 192 V CB 1.068 32.911 31.823 0.034 0.000 0.981 192 V HN 0.790 nan 8.190 nan 0.000 0.480 193 V N 4.810 124.753 119.914 0.048 0.000 2.398 193 V HA 0.297 4.417 4.120 -0.000 0.000 0.282 193 V C 0.182 176.311 176.094 0.058 0.000 1.014 193 V CA -0.452 61.878 62.300 0.050 0.000 0.838 193 V CB 2.012 33.900 31.823 0.109 0.000 1.018 193 V HN 1.022 nan 8.190 nan 0.000 0.432 194 S N 6.650 122.324 115.700 -0.042 0.000 2.548 194 S HA 0.620 5.090 4.470 -0.000 0.000 0.277 194 S C -2.350 172.142 174.600 -0.179 0.000 1.315 194 S CA -1.023 57.102 58.200 -0.125 0.000 1.050 194 S CB 1.531 64.561 63.200 -0.283 0.000 0.918 194 S HN 0.504 nan 8.310 nan 0.000 0.497 195 P HA 0.721 nan 4.420 nan 0.000 0.338 195 P C 0.230 177.138 177.300 -0.654 0.000 1.308 195 P CA -0.417 62.495 63.100 -0.314 0.000 0.753 195 P CB 0.470 32.106 31.700 -0.107 0.000 1.579 196 G N -2.619 105.413 108.800 -1.279 0.000 2.721 196 G HA2 0.664 4.624 3.960 -0.000 0.000 0.296 196 G HA3 0.664 4.624 3.960 -0.000 0.000 0.296 196 G C -2.091 171.904 174.900 -1.507 0.000 1.383 196 G CA -0.398 43.835 45.100 -1.445 0.000 0.788 196 G HN 0.549 nan 8.290 nan 0.000 0.500 197 A N -0.505 121.705 122.820 -1.018 0.000 2.539 197 A HA 0.656 4.976 4.320 -0.000 0.000 0.296 197 A C -1.507 176.026 177.584 -0.085 0.000 1.073 197 A CA -0.484 51.316 52.037 -0.394 0.000 0.700 197 A CB 2.026 20.924 19.000 -0.170 0.000 1.296 197 A HN 0.614 nan 8.150 nan 0.000 0.405 198 D N 1.964 122.598 120.400 0.390 0.000 2.383 198 D HA 0.154 4.794 4.640 -0.000 0.000 0.245 198 D C 0.559 176.993 176.300 0.223 0.000 1.263 198 D CA 0.297 54.505 54.000 0.347 0.000 0.936 198 D CB 0.983 41.969 40.800 0.310 0.000 1.053 198 D HN 0.143 nan 8.370 nan 0.000 0.507 199 V N 3.737 123.719 119.914 0.114 0.000 3.541 199 V HA -0.034 4.086 4.120 -0.000 0.000 0.267 199 V C 1.670 177.798 176.094 0.057 0.000 1.213 199 V CA 1.133 63.478 62.300 0.076 0.000 1.149 199 V CB -0.120 31.709 31.823 0.009 0.000 0.822 199 V HN 0.473 nan 8.190 nan 0.000 0.462 200 E N -0.588 119.636 120.200 0.041 0.000 2.075 200 E HA -0.106 4.244 4.350 -0.000 0.000 0.190 200 E C 1.967 178.558 176.600 -0.015 0.000 0.969 200 E CA 0.837 57.245 56.400 0.013 0.000 0.815 200 E CB -0.059 29.646 29.700 0.008 0.000 0.776 200 E HN 0.396 nan 8.360 nan 0.000 0.457 201 L N 0.581 121.766 121.223 -0.063 0.000 1.976 201 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 201 L C 0.387 177.134 176.870 -0.204 0.000 1.071 201 L CA 1.670 56.394 54.840 -0.194 0.000 0.746 201 L CB -0.445 41.398 42.059 -0.360 0.000 0.890 201 L HN 0.063 nan 8.230 nan 0.000 0.432 202 Y N 0.887 121.229 120.300 0.070 0.000 2.616 202 Y HA 0.398 4.948 4.550 0.000 0.000 0.350 202 Y C 0.556 176.468 175.900 0.021 0.000 1.119 202 Y CA -0.231 57.908 58.100 0.066 0.000 1.467 202 Y CB -0.426 38.063 38.460 0.048 0.000 1.287 202 Y HN 0.182 nan 8.280 nan 0.000 0.504 203 S N 1.729 117.508 115.700 0.132 0.000 2.618 203 S HA 0.499 4.969 4.470 -0.000 0.000 0.277 203 S C -2.481 172.161 174.600 0.070 0.000 1.138 203 S CA -1.809 56.436 58.200 0.075 0.000 0.844 203 S CB 2.444 65.669 63.200 0.042 0.000 1.127 203 S HN 0.106 nan 8.310 nan 0.000 0.474 204 P HA 0.083 nan 4.420 nan 0.000 0.217 204 P C 0.605 177.933 177.300 0.045 0.000 1.148 204 P CA 1.677 64.803 63.100 0.043 0.000 0.828 204 P CB -0.140 31.576 31.700 0.027 0.000 0.783 205 G N -0.849 107.973 108.800 0.038 0.000 3.712 205 G HA2 0.454 4.414 3.960 -0.000 0.000 0.327 205 G HA3 0.454 4.414 3.960 -0.000 0.000 0.327 205 G C -1.045 173.868 174.900 0.022 0.000 1.566 205 G CA -0.134 44.983 45.100 0.029 0.000 0.953 205 G HN 0.167 nan 8.290 nan 0.000 0.488 206 N N 1.599 120.310 118.700 0.019 0.000 6.430 206 N HA -0.138 4.602 4.740 -0.000 0.000 0.156 206 N C -0.310 175.210 175.510 0.017 0.000 1.432 206 N CA 0.301 53.360 53.050 0.016 0.000 1.716 206 N CB 0.299 38.795 38.487 0.015 0.000 1.354 206 N HN 0.399 nan 8.380 nan 0.000 0.780 207 D N 1.385 121.793 120.400 0.014 0.000 2.347 207 D HA 0.016 4.656 4.640 -0.000 0.000 0.213 207 D C 1.084 177.393 176.300 0.015 0.000 0.985 207 D CA 0.916 54.924 54.000 0.014 0.000 0.879 207 D CB 0.176 40.983 40.800 0.011 0.000 0.919 207 D HN 0.391 nan 8.370 nan 0.000 0.526 208 R N 0.044 120.553 120.500 0.015 0.000 2.334 208 R HA 0.381 4.721 4.340 -0.000 0.000 0.216 208 R C 1.754 178.066 176.300 0.019 0.000 0.905 208 R CA 0.632 56.742 56.100 0.017 0.000 1.064 208 R CB -0.021 30.288 30.300 0.014 0.000 1.046 208 R HN 0.291 nan 8.270 nan 0.000 0.508 209 A N 0.330 123.163 122.820 0.021 0.000 2.015 209 A HA -0.073 4.247 4.320 -0.000 0.000 0.219 209 A C 1.961 179.563 177.584 0.031 0.000 1.163 209 A CA 1.440 53.492 52.037 0.025 0.000 0.646 209 A CB -0.341 18.676 19.000 0.028 0.000 0.806 209 A HN 0.123 nan 8.150 nan 0.000 0.448 210 T N -0.276 114.296 114.554 0.031 0.000 2.904 210 T HA -0.057 4.293 4.350 -0.000 0.000 0.267 210 T C 1.739 176.457 174.700 0.030 0.000 1.059 210 T CA 1.726 63.846 62.100 0.034 0.000 1.137 210 T CB -0.114 68.772 68.868 0.031 0.000 0.879 210 T HN 0.585 nan 8.240 nan 0.000 0.467 211 E N 0.652 120.868 120.200 0.026 0.000 2.170 211 E HA 0.102 4.452 4.350 -0.000 0.000 0.191 211 E C 2.216 178.830 176.600 0.024 0.000 0.981 211 E CA 0.380 56.795 56.400 0.026 0.000 0.830 211 E CB -0.070 29.645 29.700 0.025 0.000 0.775 211 E HN 0.257 nan 8.360 nan 0.000 0.470 212 R N 0.201 120.715 120.500 0.022 0.000 2.096 212 R HA -0.086 4.254 4.340 -0.000 0.000 0.235 212 R C 1.833 178.145 176.300 0.020 0.000 1.127 212 R CA 1.623 57.735 56.100 0.020 0.000 0.968 212 R CB -0.063 30.248 30.300 0.018 0.000 0.861 212 R HN 0.073 nan 8.270 nan 0.000 0.440 213 S N 0.102 115.817 115.700 0.025 0.000 2.406 213 S HA -0.008 4.462 4.470 -0.000 0.000 0.228 213 S C 1.735 176.349 174.600 0.023 0.000 1.020 213 S CA 0.742 58.957 58.200 0.026 0.000 0.965 213 S CB -0.052 63.169 63.200 0.035 0.000 0.798 213 S HN 0.385 nan 8.310 nan 0.000 0.488 214 R N 0.972 121.487 120.500 0.024 0.000 2.093 214 R HA 0.142 4.482 4.340 -0.000 0.000 0.224 214 R C 2.521 178.833 176.300 0.021 0.000 1.101 214 R CA 0.657 56.771 56.100 0.023 0.000 0.979 214 R CB -0.188 30.127 30.300 0.026 0.000 0.877 214 R HN 0.289 nan 8.270 nan 0.000 0.441 215 R N 1.006 121.518 120.500 0.021 0.000 2.083 215 R HA -0.160 4.180 4.340 -0.000 0.000 0.237 215 R C 1.961 178.270 176.300 0.015 0.000 1.137 215 R CA 1.662 57.773 56.100 0.018 0.000 0.951 215 R CB -0.100 30.210 30.300 0.017 0.000 0.851 215 R HN 0.303 nan 8.270 nan 0.000 0.434 216 E N 0.018 120.227 120.200 0.014 0.000 2.274 216 E HA -0.098 4.252 4.350 -0.000 0.000 0.194 216 E C 1.130 177.736 176.600 0.011 0.000 0.996 216 E CA 0.678 57.085 56.400 0.012 0.000 0.840 216 E CB 0.215 29.922 29.700 0.011 0.000 0.772 216 E HN 0.314 nan 8.360 nan 0.000 0.491 217 L N -0.833 120.397 121.223 0.012 0.000 2.728 217 L HA 0.299 4.639 4.340 -0.000 0.000 0.238 217 L C 1.150 178.028 176.870 0.012 0.000 1.143 217 L CA -0.026 54.820 54.840 0.010 0.000 0.937 217 L CB 0.433 42.496 42.059 0.008 0.000 1.225 217 L HN 0.138 nan 8.230 nan 0.000 0.507 218 G N 1.491 110.299 108.800 0.014 0.000 2.233 218 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.270 218 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.270 218 G C 0.285 175.195 174.900 0.018 0.000 1.011 218 G CA 0.203 45.312 45.100 0.016 0.000 0.762 218 G HN 0.374 nan 8.290 nan 0.000 0.511 219 I N 1.241 121.822 120.570 0.018 0.000 2.474 219 I HA 0.243 4.413 4.170 -0.000 0.000 0.287 219 I C -1.558 174.577 176.117 0.029 0.000 1.048 219 I CA -2.228 59.084 61.300 0.022 0.000 1.383 219 I CB 0.920 38.932 38.000 0.020 0.000 1.412 219 I HN -0.107 nan 8.210 nan 0.000 0.531 220 P HA 0.006 nan 4.420 nan 0.000 0.268 220 P C 0.575 177.911 177.300 0.059 0.000 1.205 220 P CA -0.328 62.802 63.100 0.050 0.000 0.771 220 P CB 0.561 32.297 31.700 0.061 0.000 0.858 221 L N 1.656 122.921 121.223 0.070 0.000 2.093 221 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 221 L C 2.093 179.024 176.870 0.102 0.000 1.085 221 L CA 2.104 56.988 54.840 0.074 0.000 0.755 221 L CB -1.727 40.374 42.059 0.070 0.000 0.904 221 L HN 0.588 nan 8.230 nan 0.000 0.435 222 H N -0.507 118.573 119.070 0.018 0.000 2.372 222 H HA -0.030 4.526 4.556 -0.000 0.000 0.301 222 H C 1.045 176.386 175.328 0.022 0.000 1.065 222 H CA 0.800 56.859 56.048 0.018 0.000 1.364 222 H CB 0.092 29.864 29.762 0.018 0.000 1.406 222 H HN 0.121 nan 8.280 nan 0.000 0.521 223 T N 1.318 115.885 114.554 0.023 0.000 2.855 223 T HA 0.020 4.370 4.350 -0.000 0.000 0.322 223 T C -0.189 174.470 174.700 -0.070 0.000 1.088 223 T CA -0.456 61.626 62.100 -0.030 0.000 1.104 223 T CB 0.193 69.085 68.868 0.040 0.000 0.996 223 T HN 0.184 nan 8.240 nan 0.000 0.549 224 K N 2.719 123.081 120.400 -0.064 0.000 2.174 224 K HA 0.479 4.799 4.320 -0.000 0.000 0.275 224 K C -0.803 175.794 176.600 -0.006 0.000 1.015 224 K CA -0.529 55.732 56.287 -0.044 0.000 0.933 224 K CB 1.614 34.083 32.500 -0.053 0.000 1.025 224 K HN 0.343 nan 8.250 nan 0.000 0.463 225 V N 2.724 122.639 119.914 0.002 0.000 2.540 225 V HA 0.283 4.403 4.120 -0.000 0.000 0.302 225 V C -0.250 175.859 176.094 0.025 0.000 1.035 225 V CA -0.993 61.318 62.300 0.019 0.000 0.873 225 V CB 2.049 33.884 31.823 0.020 0.000 0.992 225 V HN 0.435 nan 8.190 nan 0.000 0.428 226 V N 3.609 123.543 119.914 0.033 0.000 2.547 226 V HA 0.882 5.002 4.120 -0.000 0.000 0.299 226 V C 0.263 176.388 176.094 0.052 0.000 1.040 226 V CA -0.370 61.959 62.300 0.047 0.000 0.913 226 V CB 1.822 33.679 31.823 0.057 0.000 0.992 226 V HN 1.021 nan 8.190 nan 0.000 0.449 227 A N 4.243 127.106 122.820 0.072 0.000 2.371 227 A HA 0.839 5.159 4.320 -0.000 0.000 0.311 227 A C -1.297 176.364 177.584 0.127 0.000 1.068 227 A CA -0.462 51.623 52.037 0.079 0.000 0.744 227 A CB 1.236 20.276 19.000 0.067 0.000 1.239 227 A HN 0.786 nan 8.150 nan 0.000 0.435 228 F N 2.762 122.688 119.950 -0.041 0.000 2.458 228 F HA 0.672 5.199 4.527 -0.000 0.000 0.336 228 F C -0.914 174.861 175.800 -0.041 0.000 1.114 228 F CA -0.508 57.467 58.000 -0.043 0.000 0.987 228 F CB 1.712 40.655 39.000 -0.096 0.000 1.130 228 F HN 0.339 nan 8.300 nan 0.000 0.458 229 V N 5.566 125.214 119.914 -0.444 0.000 2.482 229 V HA 0.903 5.023 4.120 -0.000 0.000 0.295 229 V C -0.111 175.751 176.094 -0.386 0.000 1.026 229 V CA -0.048 62.115 62.300 -0.229 0.000 0.856 229 V CB 0.855 32.598 31.823 -0.133 0.000 1.001 229 V HN 1.195 nan 8.190 nan 0.000 0.424 230 G N 4.172 112.927 108.800 -0.075 0.000 2.361 230 G HA2 0.150 4.110 3.960 -0.000 0.000 0.305 230 G HA3 0.150 4.110 3.960 -0.000 0.000 0.305 230 G C -1.069 173.950 174.900 0.198 0.000 1.367 230 G CA -1.258 43.838 45.100 -0.007 0.000 0.951 230 G HN 0.577 nan 8.290 nan 0.000 0.615 231 R N -0.232 120.337 120.500 0.115 0.000 2.494 231 R HA 0.056 4.396 4.340 -0.000 0.000 0.291 231 R C 0.487 176.847 176.300 0.101 0.000 0.953 231 R CA 0.194 56.348 56.100 0.090 0.000 1.098 231 R CB 0.132 30.456 30.300 0.038 0.000 0.911 231 R HN 0.368 nan 8.270 nan 0.000 0.407 232 L N 4.969 126.225 121.223 0.055 0.000 2.533 232 L HA 0.043 4.383 4.340 -0.000 0.000 0.239 232 L C 0.293 177.156 176.870 -0.012 0.000 1.376 232 L CA 0.033 54.837 54.840 -0.060 0.000 1.240 232 L CB -0.495 41.564 42.059 -0.000 0.000 1.487 232 L HN 0.359 nan 8.230 nan 0.000 0.419 233 Q N 0.181 119.872 119.800 -0.182 0.000 2.245 233 Q HA 0.298 4.638 4.340 -0.000 0.000 0.256 233 Q C -1.725 174.119 176.000 -0.261 0.000 0.942 233 Q CA -2.115 53.526 55.803 -0.269 0.000 0.896 233 Q CB 1.470 29.767 28.738 -0.734 0.000 1.272 233 Q HN -0.020 nan 8.270 nan 0.000 0.442 234 P HA -0.211 nan 4.420 nan 0.000 0.218 234 P C 1.100 178.388 177.300 -0.019 0.000 1.152 234 P CA 1.587 64.695 63.100 0.013 0.000 0.857 234 P CB -0.133 31.579 31.700 0.019 0.000 0.787 235 F N -1.076 118.901 119.950 0.045 0.000 2.365 235 F HA 0.023 4.550 4.527 -0.000 0.000 0.300 235 F C 1.473 177.463 175.800 0.317 0.000 1.090 235 F CA 0.861 58.925 58.000 0.107 0.000 1.408 235 F CB -1.166 37.880 39.000 0.077 0.000 1.060 235 F HN -0.231 nan 8.300 nan 0.000 0.534 236 K N 1.084 121.425 120.400 -0.098 0.000 2.459 236 K HA 0.149 4.469 4.320 -0.000 0.000 0.193 236 K C 1.410 178.152 176.600 0.237 0.000 1.030 236 K CA 0.684 57.028 56.287 0.095 0.000 1.026 236 K CB -0.454 32.051 32.500 0.010 0.000 0.809 236 K HN 0.503 nan 8.250 nan 0.000 0.504 237 G N 3.385 112.312 108.800 0.212 0.000 2.356 237 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.296 237 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.296 237 G C -1.325 173.525 174.900 -0.082 0.000 1.022 237 G CA 0.157 45.356 45.100 0.165 0.000 0.961 237 G HN 0.220 nan 8.290 nan 0.000 0.510 238 P HA -0.134 nan 4.420 nan 0.000 0.226 238 P C 1.904 178.941 177.300 -0.439 0.000 1.153 238 P CA 1.396 64.002 63.100 -0.822 0.000 0.777 238 P CB 0.147 30.891 31.700 -1.593 0.000 0.794 239 Q N 0.137 119.809 119.800 -0.214 0.000 2.291 239 Q HA -0.047 4.293 4.340 -0.000 0.000 0.205 239 Q C 1.735 177.734 176.000 -0.002 0.000 0.970 239 Q CA 1.257 57.077 55.803 0.029 0.000 0.876 239 Q CB -1.462 27.399 28.738 0.206 0.000 0.935 239 Q HN 0.116 nan 8.270 nan 0.000 0.455 240 V N 1.283 121.156 119.914 -0.069 0.000 2.379 240 V HA -0.199 3.921 4.120 -0.000 0.000 0.245 240 V C 2.400 178.386 176.094 -0.179 0.000 1.044 240 V CA 1.299 63.511 62.300 -0.146 0.000 1.036 240 V CB -0.660 30.966 31.823 -0.329 0.000 0.664 240 V HN 0.261 nan 8.190 nan 0.000 0.453 241 L N 0.156 121.259 121.223 -0.200 0.000 2.012 241 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 241 L C 2.139 178.996 176.870 -0.021 0.000 1.073 241 L CA 1.988 56.772 54.840 -0.093 0.000 0.748 241 L CB -0.565 41.459 42.059 -0.058 0.000 0.891 241 L HN 0.222 nan 8.230 nan 0.000 0.431 242 I N -0.577 119.972 120.570 -0.034 0.000 2.142 242 I HA -0.330 3.840 4.170 -0.000 0.000 0.240 242 I C 2.465 178.625 176.117 0.072 0.000 1.078 242 I CA 1.580 62.900 61.300 0.033 0.000 1.343 242 I CB -0.382 37.657 38.000 0.065 0.000 1.046 242 I HN 0.189 nan 8.210 nan 0.000 0.405 243 K N 0.710 121.150 120.400 0.066 0.000 2.032 243 K HA -0.191 4.129 4.320 -0.000 0.000 0.209 243 K C 2.249 178.911 176.600 0.103 0.000 1.048 243 K CA 1.657 57.996 56.287 0.087 0.000 0.927 243 K CB -0.394 32.157 32.500 0.085 0.000 0.712 243 K HN 0.351 nan 8.250 nan 0.000 0.441 244 A N 0.882 123.762 122.820 0.100 0.000 1.908 244 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 244 A C 2.375 180.027 177.584 0.114 0.000 1.181 244 A CA 1.560 53.678 52.037 0.134 0.000 0.627 244 A CB -0.723 18.390 19.000 0.189 0.000 0.818 244 A HN 0.094 nan 8.150 nan 0.000 0.445 245 V N -0.255 119.727 119.914 0.114 0.000 2.343 245 V HA -0.250 3.870 4.120 -0.000 0.000 0.247 245 V C 3.045 179.270 176.094 0.218 0.000 1.051 245 V CA 1.932 64.316 62.300 0.141 0.000 1.036 245 V CB -1.099 30.822 31.823 0.162 0.000 0.654 245 V HN 0.630 nan 8.190 nan 0.000 0.451 246 A N -0.180 122.757 122.820 0.194 0.000 1.933 246 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 246 A C 2.405 180.096 177.584 0.178 0.000 1.175 246 A CA 1.979 54.141 52.037 0.208 0.000 0.628 246 A CB -0.680 18.403 19.000 0.138 0.000 0.814 246 A HN 0.571 nan 8.150 nan 0.000 0.444 247 A N -0.297 122.601 122.820 0.130 0.000 1.930 247 A HA -0.009 4.311 4.320 -0.000 0.000 0.217 247 A C 2.156 179.779 177.584 0.065 0.000 1.175 247 A CA 1.376 53.476 52.037 0.105 0.000 0.627 247 A CB -0.562 18.508 19.000 0.117 0.000 0.815 247 A HN 0.467 nan 8.150 nan 0.000 0.443 248 L N -1.895 119.332 121.223 0.008 0.000 2.012 248 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 248 L C 2.412 179.171 176.870 -0.185 0.000 1.073 248 L CA 1.606 56.363 54.840 -0.139 0.000 0.748 248 L CB -0.550 41.340 42.059 -0.281 0.000 0.891 248 L HN 0.443 nan 8.230 nan 0.000 0.431 249 F N -0.335 119.636 119.950 0.035 0.000 2.451 249 F HA -0.180 4.347 4.527 -0.000 0.000 0.299 249 F C 2.204 178.021 175.800 0.029 0.000 1.101 249 F CA 0.696 58.713 58.000 0.029 0.000 1.436 249 F CB -0.273 38.742 39.000 0.025 0.000 1.074 249 F HN 0.139 nan 8.300 nan 0.000 0.553 250 D N 0.059 120.558 120.400 0.165 0.000 2.149 250 D HA -0.080 4.560 4.640 -0.000 0.000 0.201 250 D C 2.275 178.617 176.300 0.070 0.000 0.972 250 D CA 0.919 54.983 54.000 0.107 0.000 0.835 250 D CB -0.195 40.659 40.800 0.089 0.000 0.966 250 D HN 0.279 nan 8.370 nan 0.000 0.476 251 R N -0.006 120.520 120.500 0.045 0.000 2.075 251 R HA -0.046 4.294 4.340 -0.000 0.000 0.232 251 R C 0.237 176.548 176.300 0.018 0.000 1.126 251 R CA 0.919 57.033 56.100 0.024 0.000 0.963 251 R CB 0.117 30.421 30.300 0.006 0.000 0.858 251 R HN 0.017 nan 8.270 nan 0.000 0.435 252 D N -1.184 119.223 120.400 0.010 0.000 2.323 252 D HA 0.174 4.814 4.640 -0.000 0.000 0.242 252 D C -2.257 174.096 176.300 0.089 0.000 1.347 252 D CA -2.317 51.696 54.000 0.021 0.000 0.988 252 D CB 1.729 42.516 40.800 -0.023 0.000 1.314 252 D HN -0.270 nan 8.370 nan 0.000 0.564 253 P HA -0.057 nan 4.420 nan 0.000 0.216 253 P C -0.180 177.300 177.300 0.299 0.000 1.150 253 P CA 1.179 64.415 63.100 0.227 0.000 0.843 253 P CB 0.158 31.933 31.700 0.124 0.000 0.787 254 D N -1.929 118.584 120.400 0.190 0.000 3.035 254 D HA 0.094 4.734 4.640 -0.000 0.000 0.290 254 D C 0.163 176.551 176.300 0.147 0.000 1.360 254 D CA -0.600 53.513 54.000 0.188 0.000 0.862 254 D CB -0.565 40.303 40.800 0.114 0.000 1.078 254 D HN -0.025 nan 8.370 nan 0.000 0.487 255 R N 0.824 121.395 120.500 0.119 0.000 2.623 255 R HA 0.072 4.412 4.340 -0.000 0.000 0.271 255 R C -0.249 176.110 176.300 0.098 0.000 1.043 255 R CA -0.420 55.678 56.100 -0.004 0.000 1.083 255 R CB 0.389 30.534 30.300 -0.257 0.000 0.974 255 R HN 0.052 nan 8.270 nan 0.000 0.436 256 N N 4.913 123.642 118.700 0.049 0.000 2.968 256 N HA 0.134 4.874 4.740 -0.000 0.000 0.271 256 N C -1.374 174.164 175.510 0.048 0.000 1.174 256 N CA -0.158 52.937 53.050 0.075 0.000 1.096 256 N CB 0.098 38.610 38.487 0.042 0.000 1.403 256 N HN 0.454 nan 8.380 nan 0.000 0.522 257 L N 2.273 123.576 121.223 0.133 0.000 2.431 257 L HA 0.592 4.932 4.340 -0.000 0.000 0.266 257 L C -0.958 176.048 176.870 0.227 0.000 0.978 257 L CA -0.732 54.181 54.840 0.122 0.000 0.822 257 L CB 1.643 43.706 42.059 0.006 0.000 1.310 257 L HN 0.375 nan 8.230 nan 0.000 0.409 258 R N 2.953 123.528 120.500 0.126 0.000 2.795 258 R HA 0.745 5.085 4.340 -0.000 0.000 0.275 258 R C -1.535 174.802 176.300 0.063 0.000 0.981 258 R CA -0.785 55.375 56.100 0.101 0.000 0.917 258 R CB 2.851 33.185 30.300 0.058 0.000 1.202 258 R HN 0.355 nan 8.270 nan 0.000 0.469 259 V N 3.237 123.170 119.914 0.031 0.000 2.680 259 V HA 0.513 4.633 4.120 -0.000 0.000 0.309 259 V C -0.467 175.582 176.094 -0.075 0.000 1.052 259 V CA -0.876 61.417 62.300 -0.012 0.000 0.908 259 V CB 2.234 34.045 31.823 -0.020 0.000 1.001 259 V HN 0.528 nan 8.190 nan 0.000 0.431 260 I N 4.809 125.337 120.570 -0.069 0.000 2.418 260 I HA 0.501 4.671 4.170 -0.000 0.000 0.287 260 I C -0.463 175.589 176.117 -0.109 0.000 1.008 260 I CA -0.500 60.743 61.300 -0.095 0.000 1.104 260 I CB 1.713 39.691 38.000 -0.037 0.000 1.264 260 I HN 0.483 nan 8.210 nan 0.000 0.438 261 I N 5.935 126.364 120.570 -0.235 0.000 2.390 261 I HA 0.254 4.424 4.170 -0.000 0.000 0.283 261 I C -0.304 175.803 176.117 -0.018 0.000 1.016 261 I CA -0.317 60.876 61.300 -0.178 0.000 1.151 261 I CB 1.683 39.371 38.000 -0.521 0.000 1.293 261 I HN 0.521 nan 8.210 nan 0.000 0.458 262 C N 6.419 125.780 119.300 0.102 0.000 2.301 262 C HA 0.911 5.371 4.460 -0.000 0.000 0.313 262 C C 0.340 175.407 174.990 0.128 0.000 1.121 262 C CA 0.049 59.114 59.018 0.080 0.000 1.507 262 C CB -1.136 26.605 27.740 0.001 0.000 1.975 262 C HN 0.993 nan 8.230 nan 0.000 0.425 263 G N 3.160 112.045 108.800 0.142 0.000 2.368 263 G HA2 0.601 4.561 3.960 -0.000 0.000 0.293 263 G HA3 0.601 4.561 3.960 -0.000 0.000 0.293 263 G C -0.796 174.178 174.900 0.124 0.000 1.467 263 G CA 0.140 45.324 45.100 0.140 0.000 0.804 263 G HN 1.069 nan 8.290 nan 0.000 0.535 264 G N -0.701 108.157 108.800 0.096 0.000 2.685 264 G HA2 0.827 4.787 3.960 -0.000 0.000 0.298 264 G HA3 0.827 4.787 3.960 -0.000 0.000 0.298 264 G C -2.693 172.250 174.900 0.072 0.000 1.277 264 G CA -1.411 43.736 45.100 0.077 0.000 0.986 264 G HN 0.581 nan 8.290 nan 0.000 0.487 276 R N 0.641 120.913 120.500 -0.380 0.000 2.103 276 R HA -0.228 4.112 4.340 -0.000 0.000 0.242 276 R C 1.858 178.151 176.300 -0.012 0.000 1.142 276 R CA 2.581 58.512 56.100 -0.281 0.000 0.960 276 R CB -0.451 29.585 30.300 -0.440 0.000 0.858 276 R HN 0.542 nan 8.270 nan 0.000 0.439 277 H N -0.623 118.378 119.070 -0.115 0.000 2.357 277 H HA -0.054 4.502 4.556 -0.000 0.000 0.301 277 H C 2.065 177.377 175.328 -0.027 0.000 1.082 277 H CA 2.214 58.218 56.048 -0.075 0.000 1.342 277 H CB -0.034 29.658 29.762 -0.116 0.000 1.389 277 H HN 0.185 nan 8.280 nan 0.000 0.511 278 M N -0.435 119.245 119.600 0.133 0.000 2.159 278 M HA -0.160 4.320 4.480 -0.000 0.000 0.263 278 M C 2.328 178.682 176.300 0.090 0.000 1.063 278 M CA 1.469 56.837 55.300 0.113 0.000 1.110 278 M CB -0.093 32.592 32.600 0.141 0.000 1.374 278 M HN 0.468 nan 8.290 nan 0.000 0.411 279 A N 1.218 124.110 122.820 0.120 0.000 1.858 279 A HA -0.237 4.083 4.320 -0.000 0.000 0.216 279 A C 1.816 179.417 177.584 0.029 0.000 1.190 279 A CA 2.062 54.162 52.037 0.105 0.000 0.617 279 A CB -0.999 18.111 19.000 0.182 0.000 0.827 279 A HN 0.753 nan 8.150 nan 0.000 0.443 280 E N -0.068 120.118 120.200 -0.023 0.000 2.077 280 E HA -0.259 4.091 4.350 -0.000 0.000 0.193 280 E C 1.766 178.320 176.600 -0.078 0.000 0.989 280 E CA 1.362 57.717 56.400 -0.075 0.000 0.800 280 E CB -0.485 29.135 29.700 -0.133 0.000 0.746 280 E HN 0.744 nan 8.360 nan 0.000 0.452 281 E N 0.821 120.967 120.200 -0.089 0.000 2.097 281 E HA -0.135 4.215 4.350 -0.000 0.000 0.196 281 E C 1.936 178.531 176.600 -0.008 0.000 1.000 281 E CA 1.079 57.451 56.400 -0.047 0.000 0.804 281 E CB -0.052 29.642 29.700 -0.009 0.000 0.740 281 E HN 0.267 nan 8.360 nan 0.000 0.454 282 L N -0.599 120.631 121.223 0.011 0.000 2.591 282 L HA 0.136 4.476 4.340 -0.000 0.000 0.228 282 L C 0.934 177.814 176.870 0.017 0.000 1.133 282 L CA 0.150 55.008 54.840 0.029 0.000 0.880 282 L CB 0.211 42.304 42.059 0.056 0.000 1.033 282 L HN 0.271 nan 8.230 nan 0.000 0.450 283 G N 0.846 109.640 108.800 -0.009 0.000 2.295 283 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.287 283 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.287 283 G C 0.465 175.329 174.900 -0.059 0.000 1.055 283 G CA 0.440 45.521 45.100 -0.031 0.000 0.922 283 G HN 0.400 nan 8.290 nan 0.000 0.503 284 V N -3.776 116.106 119.914 -0.053 0.000 3.199 284 V HA 0.424 4.544 4.120 -0.000 0.000 0.331 284 V C 1.555 177.604 176.094 -0.075 0.000 1.446 284 V CA 0.861 63.094 62.300 -0.112 0.000 1.120 284 V CB 0.280 32.078 31.823 -0.043 0.000 1.051 284 V HN 0.254 nan 8.190 nan 0.000 0.495 285 E N 1.581 121.762 120.200 -0.032 0.000 2.085 285 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 285 E C 1.728 178.321 176.600 -0.012 0.000 0.994 285 E CA 1.644 58.054 56.400 0.018 0.000 0.801 285 E CB -0.454 29.258 29.700 0.020 0.000 0.743 285 E HN 0.529 nan 8.360 nan 0.000 0.453 286 K N 0.263 120.626 120.400 -0.062 0.000 2.281 286 K HA -0.014 4.306 4.320 -0.000 0.000 0.203 286 K C 1.463 178.012 176.600 -0.086 0.000 1.046 286 K CA 0.909 57.154 56.287 -0.070 0.000 0.938 286 K CB 0.203 32.647 32.500 -0.094 0.000 0.737 286 K HN 0.039 nan 8.250 nan 0.000 0.458 287 R N -0.406 120.016 120.500 -0.130 0.000 2.362 287 R HA 0.247 4.587 4.340 -0.000 0.000 0.227 287 R C -0.009 176.267 176.300 -0.039 0.000 0.905 287 R CA 0.148 56.184 56.100 -0.106 0.000 1.067 287 R CB 0.422 30.574 30.300 -0.246 0.000 1.078 287 R HN 0.131 nan 8.270 nan 0.000 0.516 288 I N 1.173 121.711 120.570 -0.054 0.000 2.509 288 I HA 0.325 4.495 4.170 -0.000 0.000 0.293 288 I C -0.156 175.878 176.117 -0.140 0.000 1.020 288 I CA -0.754 60.474 61.300 -0.120 0.000 1.088 288 I CB 2.103 40.017 38.000 -0.143 0.000 1.267 288 I HN -0.240 nan 8.210 nan 0.000 0.430 289 R N 4.698 125.058 120.500 -0.233 0.000 2.670 289 R HA 0.597 4.937 4.340 -0.000 0.000 0.289 289 R C -1.594 174.504 176.300 -0.336 0.000 0.965 289 R CA -0.706 55.304 56.100 -0.151 0.000 0.899 289 R CB 2.094 32.360 30.300 -0.057 0.000 1.173 289 R HN 0.334 nan 8.270 nan 0.000 0.456 290 F N 3.211 123.168 119.950 0.011 0.000 2.427 290 F HA 0.418 4.945 4.527 -0.000 0.000 0.346 290 F C -0.019 175.789 175.800 0.013 0.000 1.120 290 F CA -0.611 57.395 58.000 0.011 0.000 1.033 290 F CB 1.098 40.107 39.000 0.015 0.000 1.126 290 F HN 0.072 nan 8.300 nan 0.000 0.462 291 L N 3.392 124.689 121.223 0.124 0.000 2.329 291 L HA 0.420 4.760 4.340 -0.000 0.000 0.279 291 L C -0.533 176.390 176.870 0.089 0.000 1.014 291 L CA -1.142 53.746 54.840 0.080 0.000 0.814 291 L CB 1.482 43.558 42.059 0.028 0.000 1.257 291 L HN 0.448 nan 8.230 nan 0.000 0.424 292 D N 3.589 124.030 120.400 0.069 0.000 2.423 292 D HA 0.124 4.764 4.640 -0.000 0.000 0.238 292 D C -2.099 174.226 176.300 0.043 0.000 1.142 292 D CA -0.757 53.278 54.000 0.057 0.000 0.884 292 D CB 0.442 41.266 40.800 0.040 0.000 1.199 292 D HN 0.218 nan 8.370 nan 0.000 0.438 293 P HA 0.095 nan 4.420 nan 0.000 0.269 293 P C -0.231 177.080 177.300 0.017 0.000 1.217 293 P CA 0.019 63.137 63.100 0.030 0.000 0.783 293 P CB 0.565 32.285 31.700 0.033 0.000 0.898 294 R N 0.034 120.541 120.500 0.010 0.000 2.710 294 R HA 0.641 4.981 4.340 -0.000 0.000 0.270 294 R C -3.196 173.112 176.300 0.013 0.000 1.021 294 R CA -2.350 53.754 56.100 0.007 0.000 0.889 294 R CB 0.246 30.546 30.300 -0.000 0.000 1.243 294 R HN 0.115 nan 8.270 nan 0.000 0.464 295 P HA 0.212 nan 4.420 nan 0.000 0.272 295 P C -2.142 175.176 177.300 0.031 0.000 1.230 295 P CA -1.486 61.623 63.100 0.016 0.000 0.788 295 P CB 0.295 31.994 31.700 -0.001 0.000 0.949 296 P HA -0.209 nan 4.420 nan 0.000 0.216 296 P C 1.643 178.923 177.300 -0.032 0.000 1.150 296 P CA 1.900 65.051 63.100 0.085 0.000 0.837 296 P CB -0.348 31.390 31.700 0.064 0.000 0.786 297 S N -0.774 114.894 115.700 -0.053 0.000 2.440 297 S HA -0.202 4.268 4.470 -0.000 0.000 0.238 297 S C 1.724 176.302 174.600 -0.036 0.000 1.010 297 S CA 1.412 59.572 58.200 -0.067 0.000 0.972 297 S CB -0.888 62.283 63.200 -0.048 0.000 0.774 297 S HN 0.241 nan 8.310 nan 0.000 0.501 298 E N -0.553 119.640 120.200 -0.013 0.000 2.413 298 E HA 0.236 4.586 4.350 -0.000 0.000 0.203 298 E C 1.635 178.234 176.600 -0.002 0.000 0.957 298 E CA 0.114 56.511 56.400 -0.006 0.000 0.950 298 E CB -0.004 29.693 29.700 -0.005 0.000 0.957 298 E HN 0.402 nan 8.360 nan 0.000 0.497 299 L N 1.117 122.350 121.223 0.016 0.000 2.109 299 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 299 L C 2.060 178.931 176.870 0.002 0.000 1.086 299 L CA 1.227 56.053 54.840 -0.025 0.000 0.760 299 L CB -0.270 41.795 42.059 0.011 0.000 0.910 299 L HN -0.052 nan 8.230 nan 0.000 0.437 300 V N 0.129 120.148 119.914 0.175 0.000 2.277 300 V HA -0.437 3.683 4.120 -0.000 0.000 0.255 300 V C 2.778 178.963 176.094 0.151 0.000 1.074 300 V CA 2.011 64.464 62.300 0.256 0.000 1.058 300 V CB -2.343 29.551 31.823 0.118 0.000 0.656 300 V HN 0.587 nan 8.190 nan 0.000 0.449 301 A N 0.172 123.030 122.820 0.063 0.000 1.884 301 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 301 A C 2.418 180.023 177.584 0.034 0.000 1.197 301 A CA 2.856 54.918 52.037 0.042 0.000 0.637 301 A CB -1.048 17.962 19.000 0.017 0.000 0.827 301 A HN 0.414 nan 8.150 nan 0.000 0.450 302 V N -1.322 118.576 119.914 -0.027 0.000 2.231 302 V HA -0.324 3.796 4.120 -0.000 0.000 0.248 302 V C 2.429 178.532 176.094 0.016 0.000 1.054 302 V CA 2.301 64.563 62.300 -0.064 0.000 1.015 302 V CB -1.208 30.502 31.823 -0.187 0.000 0.638 302 V HN 0.629 nan 8.190 nan 0.000 0.444 303 Y N 0.688 121.020 120.300 0.054 0.000 2.097 303 Y HA -0.211 4.339 4.550 -0.000 0.000 0.282 303 Y C 2.722 178.645 175.900 0.040 0.000 1.152 303 Y CA 1.536 59.659 58.100 0.039 0.000 1.136 303 Y CB -0.884 37.614 38.460 0.062 0.000 0.975 303 Y HN 0.139 nan 8.280 nan 0.000 0.498 304 R N -0.450 120.183 120.500 0.222 0.000 2.127 304 R HA -0.136 4.204 4.340 -0.000 0.000 0.238 304 R C 2.391 178.743 176.300 0.087 0.000 1.134 304 R CA 1.076 57.254 56.100 0.131 0.000 0.975 304 R CB -0.482 29.882 30.300 0.106 0.000 0.865 304 R HN 0.335 nan 8.270 nan 0.000 0.447 305 A N 1.200 124.066 122.820 0.076 0.000 1.970 305 A HA 0.166 4.486 4.320 -0.000 0.000 0.216 305 A C 1.160 178.772 177.584 0.048 0.000 1.170 305 A CA 0.717 52.784 52.037 0.050 0.000 0.645 305 A CB -0.154 18.867 19.000 0.036 0.000 0.816 305 A HN 0.332 nan 8.150 nan 0.000 0.447 306 A N 0.362 123.221 122.820 0.066 0.000 2.462 306 A HA 0.328 4.648 4.320 -0.000 0.000 0.243 306 A C 0.498 178.109 177.584 0.044 0.000 1.076 306 A CA 0.118 52.191 52.037 0.060 0.000 0.773 306 A CB 0.184 19.238 19.000 0.089 0.000 1.010 306 A HN 0.377 nan 8.150 nan 0.000 0.493 307 D N 0.769 121.185 120.400 0.026 0.000 2.213 307 D HA 0.119 4.759 4.640 -0.000 0.000 0.205 307 D C 0.249 176.555 176.300 0.010 0.000 0.961 307 D CA 1.437 55.444 54.000 0.011 0.000 0.853 307 D CB 0.165 40.962 40.800 -0.005 0.000 0.967 307 D HN 0.556 nan 8.370 nan 0.000 0.496 308 I N 0.321 120.904 120.570 0.022 0.000 2.752 308 I HA 0.165 4.335 4.170 -0.000 0.000 0.295 308 I C -1.003 175.142 176.117 0.047 0.000 1.219 308 I CA -0.855 60.457 61.300 0.021 0.000 1.030 308 I CB 3.384 41.394 38.000 0.017 0.000 1.259 308 I HN -0.422 nan 8.210 nan 0.000 0.423 309 V N 4.322 124.262 119.914 0.043 0.000 2.370 309 V HA 0.581 4.701 4.120 -0.000 0.000 0.283 309 V C 0.311 176.449 176.094 0.074 0.000 1.023 309 V CA -0.517 61.821 62.300 0.063 0.000 0.857 309 V CB 1.515 33.372 31.823 0.056 0.000 0.985 309 V HN 0.806 nan 8.190 nan 0.000 0.443 310 A N 4.572 127.464 122.820 0.120 0.000 2.320 310 A HA 0.644 4.964 4.320 -0.000 0.000 0.287 310 A C -0.183 177.479 177.584 0.130 0.000 1.181 310 A CA -0.301 51.864 52.037 0.215 0.000 0.831 310 A CB 1.116 20.270 19.000 0.257 0.000 1.102 310 A HN 1.272 nan 8.150 nan 0.000 0.513 311 V N 4.734 124.746 119.914 0.162 0.000 2.313 311 V HA 0.468 4.588 4.120 -0.000 0.000 0.262 311 V C -2.605 173.549 176.094 0.100 0.000 1.011 311 V CA -1.790 60.529 62.300 0.032 0.000 0.858 311 V CB 1.558 33.348 31.823 -0.054 0.000 1.104 311 V HN 0.648 nan 8.190 nan 0.000 0.456 312 P HA 0.280 nan 4.420 nan 0.000 0.220 312 P C 0.239 177.505 177.300 -0.057 0.000 1.793 312 P CA 0.156 63.035 63.100 -0.367 0.000 0.917 312 P CB -0.181 30.893 31.700 -1.042 0.000 1.755 313 S N -0.053 115.698 115.700 0.086 0.000 2.572 313 S HA 0.196 4.666 4.470 -0.000 0.000 0.279 313 S C 0.761 175.475 174.600 0.191 0.000 1.341 313 S CA -0.065 58.238 58.200 0.171 0.000 1.043 313 S CB 0.235 63.541 63.200 0.177 0.000 0.887 313 S HN 0.149 nan 8.310 nan 0.000 0.516 314 F N 1.243 121.315 119.950 0.204 0.000 2.317 314 F HA 0.199 4.726 4.527 -0.000 0.000 0.290 314 F C 0.911 176.816 175.800 0.176 0.000 1.075 314 F CA 0.212 58.281 58.000 0.115 0.000 1.380 314 F CB 0.168 39.145 39.000 -0.038 0.000 1.093 314 F HN 0.435 nan 8.300 nan 0.000 0.524 315 N N -0.469 118.460 118.700 0.381 0.000 2.258 315 N HA 0.460 5.200 4.740 -0.000 0.000 0.299 315 N C -0.809 174.851 175.510 0.250 0.000 1.047 315 N CA -0.476 52.723 53.050 0.248 0.000 0.814 315 N CB 2.524 41.101 38.487 0.151 0.000 1.413 315 N HN -0.057 nan 8.380 nan 0.000 0.478 316 E N 0.702 121.011 120.200 0.181 0.000 2.233 316 E HA 0.750 5.100 4.350 -0.000 0.000 0.223 316 E C -1.698 174.990 176.600 0.146 0.000 1.048 316 E CA -0.531 55.970 56.400 0.167 0.000 0.883 316 E CB 1.499 31.275 29.700 0.126 0.000 1.925 316 E HN 0.405 nan 8.360 nan 0.000 0.460 317 S N -0.943 114.835 115.700 0.130 0.000 2.776 317 S HA -0.113 4.357 4.470 -0.000 0.000 0.855 317 S C -0.245 174.517 174.600 0.270 0.000 0.845 317 S CA 0.241 58.525 58.200 0.139 0.000 1.517 317 S CB -1.234 62.048 63.200 0.137 0.000 1.091 317 S HN 0.618 nan 8.310 nan 0.000 0.218 318 F N 4.567 124.619 119.950 0.170 0.000 2.013 318 F HA 0.432 4.959 4.527 0.000 0.000 0.305 318 F C 1.698 177.559 175.800 0.102 0.000 1.381 318 F CA 2.489 60.570 58.000 0.135 0.000 1.202 318 F CB -0.476 38.609 39.000 0.142 0.000 0.925 318 F HN 1.240 nan 8.300 nan 0.000 0.537 319 G N -1.460 107.527 108.800 0.311 0.000 2.691 319 G HA2 0.390 4.350 3.960 -0.000 0.000 0.298 319 G HA3 0.390 4.350 3.960 -0.000 0.000 0.298 319 G C -0.519 174.530 174.900 0.248 0.000 1.471 319 G CA -0.210 45.069 45.100 0.298 0.000 0.912 319 G HN 0.592 nan 8.290 nan 0.000 0.553 320 L N 0.973 122.316 121.223 0.200 0.000 2.395 320 L HA 0.080 4.420 4.340 -0.000 0.000 0.218 320 L C 2.317 179.185 176.870 -0.004 0.000 1.130 320 L CA 0.151 55.054 54.840 0.105 0.000 0.826 320 L CB -0.894 41.267 42.059 0.170 0.000 0.941 320 L HN 0.345 nan 8.230 nan 0.000 0.451 321 V N 1.324 121.246 119.914 0.012 0.000 2.407 321 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 321 V C 3.014 179.022 176.094 -0.144 0.000 1.055 321 V CA 1.973 64.250 62.300 -0.039 0.000 1.049 321 V CB -0.552 31.253 31.823 -0.031 0.000 0.662 321 V HN 0.547 nan 8.190 nan 0.000 0.455 322 A N -0.979 121.789 122.820 -0.088 0.000 1.855 322 A HA -0.190 4.130 4.320 -0.000 0.000 0.215 322 A C 2.235 179.730 177.584 -0.148 0.000 1.191 322 A CA 1.824 53.798 52.037 -0.105 0.000 0.613 322 A CB -0.504 18.467 19.000 -0.049 0.000 0.829 322 A HN 0.367 nan 8.150 nan 0.000 0.442 323 M N -0.210 119.334 119.600 -0.093 0.000 2.080 323 M HA -0.180 4.300 4.480 -0.000 0.000 0.260 323 M C 1.957 178.089 176.300 -0.280 0.000 1.068 323 M CA 1.810 57.011 55.300 -0.166 0.000 1.109 323 M CB -1.366 31.141 32.600 -0.155 0.000 1.342 323 M HN 0.558 nan 8.290 nan 0.000 0.405 324 E N -0.255 119.710 120.200 -0.392 0.000 2.077 324 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 324 E C 2.017 178.047 176.600 -0.950 0.000 0.989 324 E CA 1.314 57.292 56.400 -0.703 0.000 0.800 324 E CB -0.159 28.950 29.700 -0.985 0.000 0.746 324 E HN 0.527 nan 8.360 nan 0.000 0.452 325 A N 1.315 123.498 122.820 -1.061 0.000 1.908 325 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 325 A C 2.108 179.458 177.584 -0.390 0.000 1.181 325 A CA 1.371 52.885 52.037 -0.871 0.000 0.627 325 A CB -0.382 18.314 19.000 -0.507 0.000 0.818 325 A HN 0.162 nan 8.150 nan 0.000 0.445 326 Q N -0.675 118.957 119.800 -0.280 0.000 2.046 326 Q HA -0.131 4.209 4.340 -0.000 0.000 0.200 326 Q C 2.457 178.384 176.000 -0.122 0.000 0.975 326 Q CA 1.466 57.178 55.803 -0.151 0.000 0.836 326 Q CB -0.612 28.060 28.738 -0.110 0.000 0.896 326 Q HN 0.658 nan 8.270 nan 0.000 0.428 327 A N 0.884 123.617 122.820 -0.145 0.000 2.032 327 A HA -0.159 4.161 4.320 -0.000 0.000 0.221 327 A C 2.242 179.820 177.584 -0.011 0.000 1.165 327 A CA 1.735 53.734 52.037 -0.064 0.000 0.645 327 A CB -0.351 18.632 19.000 -0.027 0.000 0.807 327 A HN 0.259 nan 8.150 nan 0.000 0.453 328 S N -2.105 113.567 115.700 -0.046 0.000 2.528 328 S HA 0.352 4.822 4.470 -0.000 0.000 0.219 328 S C 1.345 175.955 174.600 0.017 0.000 0.985 328 S CA 0.827 59.042 58.200 0.026 0.000 0.914 328 S CB 0.115 63.327 63.200 0.020 0.000 0.776 328 S HN 1.677 nan 8.310 nan 0.000 0.526 329 G N 1.621 110.410 108.800 -0.017 0.000 2.132 329 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.228 329 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.228 329 G C -0.029 174.863 174.900 -0.014 0.000 1.000 329 G CA 0.124 45.218 45.100 -0.009 0.000 0.693 329 G HN 0.438 nan 8.290 nan 0.000 0.515 330 T N 2.795 117.328 114.554 -0.036 0.000 2.786 330 T HA 0.601 4.951 4.350 -0.000 0.000 0.283 330 T C -2.232 172.438 174.700 -0.049 0.000 0.992 330 T CA -1.075 61.008 62.100 -0.028 0.000 0.954 330 T CB 2.883 71.748 68.868 -0.005 0.000 0.934 330 T HN 0.146 nan 8.240 nan 0.000 0.440 331 P HA 0.232 nan 4.420 nan 0.000 0.269 331 P C -0.810 176.462 177.300 -0.047 0.000 1.215 331 P CA -0.334 62.737 63.100 -0.048 0.000 0.780 331 P CB 0.665 32.337 31.700 -0.047 0.000 0.898 332 V N 3.604 123.484 119.914 -0.057 0.000 2.495 332 V HA 0.361 4.481 4.120 -0.000 0.000 0.298 332 V C 0.438 176.502 176.094 -0.051 0.000 1.031 332 V CA -0.625 61.648 62.300 -0.044 0.000 0.871 332 V CB 1.630 33.418 31.823 -0.058 0.000 0.988 332 V HN 0.358 nan 8.190 nan 0.000 0.432 333 I N 4.400 124.960 120.570 -0.015 0.000 2.328 333 I HA 0.711 4.881 4.170 -0.000 0.000 0.287 333 I C 0.290 176.440 176.117 0.054 0.000 1.012 333 I CA -0.176 61.083 61.300 -0.069 0.000 1.195 333 I CB 1.360 39.298 38.000 -0.102 0.000 1.350 333 I HN 0.709 nan 8.210 nan 0.000 0.464 334 A N 4.975 127.782 122.820 -0.021 0.000 2.413 334 A HA 0.894 5.214 4.320 -0.000 0.000 0.307 334 A C -0.193 177.440 177.584 0.083 0.000 1.087 334 A CA -0.631 51.483 52.037 0.128 0.000 0.750 334 A CB 1.473 20.485 19.000 0.020 0.000 1.296 334 A HN 0.737 nan 8.150 nan 0.000 0.423 335 A N 0.698 123.671 122.820 0.254 0.000 2.425 335 A HA 0.477 4.797 4.320 -0.000 0.000 0.242 335 A C 0.634 178.211 177.584 -0.012 0.000 1.077 335 A CA -0.237 51.866 52.037 0.110 0.000 0.781 335 A CB -0.006 19.025 19.000 0.052 0.000 1.020 335 A HN 0.816 nan 8.150 nan 0.000 0.494 336 R N 0.989 121.453 120.500 -0.059 0.000 2.893 336 R HA 0.364 4.704 4.340 -0.000 0.000 0.243 336 R C -0.696 175.601 176.300 -0.006 0.000 1.481 336 R CA 0.288 56.358 56.100 -0.049 0.000 1.250 336 R CB -0.696 29.566 30.300 -0.063 0.000 1.213 336 R HN 0.819 nan 8.270 nan 0.000 0.609 337 V N -0.342 119.576 119.914 0.007 0.000 3.147 337 V HA 0.785 4.905 4.120 -0.000 0.000 0.299 337 V C 0.283 176.389 176.094 0.019 0.000 1.302 337 V CA -0.017 62.309 62.300 0.042 0.000 1.015 337 V CB 1.294 33.181 31.823 0.107 0.000 1.086 337 V HN 0.732 nan 8.190 nan 0.000 0.437 338 G N 2.660 111.483 108.800 0.038 0.000 2.583 338 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.292 338 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.292 338 G C 0.951 175.818 174.900 -0.056 0.000 1.203 338 G CA 0.711 45.827 45.100 0.027 0.000 0.987 338 G HN 2.416 nan 8.290 nan 0.000 0.554 339 G N -0.366 108.337 108.800 -0.162 0.000 2.838 339 G HA2 0.403 4.363 3.960 -0.000 0.000 0.210 339 G HA3 0.403 4.363 3.960 -0.000 0.000 0.210 339 G C 1.863 176.330 174.900 -0.721 0.000 1.153 339 G CA 0.978 45.783 45.100 -0.492 0.000 0.778 339 G HN 0.695 nan 8.290 nan 0.000 0.539 340 L N 0.835 121.819 121.223 -0.398 0.000 2.021 340 L HA -0.125 4.215 4.340 -0.000 0.000 0.215 340 L C -0.035 176.682 176.870 -0.254 0.000 1.074 340 L CA 1.549 56.210 54.840 -0.298 0.000 0.760 340 L CB -1.163 40.818 42.059 -0.130 0.000 0.889 340 L HN 0.148 nan 8.230 nan 0.000 0.433 341 P HA -0.157 nan 4.420 nan 0.000 0.222 341 P C 1.536 178.768 177.300 -0.113 0.000 1.147 341 P CA 1.183 64.205 63.100 -0.130 0.000 0.790 341 P CB 0.051 31.699 31.700 -0.086 0.000 0.780 342 I N -1.243 119.226 120.570 -0.168 0.000 2.703 342 I HA 0.036 4.206 4.170 -0.000 0.000 0.259 342 I C 2.033 178.202 176.117 0.087 0.000 1.151 342 I CA 0.788 62.091 61.300 0.005 0.000 1.470 342 I CB -1.689 36.397 38.000 0.143 0.000 1.112 342 I HN -0.103 nan 8.210 nan 0.000 0.437 343 A N 0.579 123.280 122.820 -0.198 0.000 2.123 343 A HA 0.151 4.471 4.320 -0.000 0.000 0.214 343 A C 1.057 178.697 177.584 0.093 0.000 1.152 343 A CA 0.490 52.598 52.037 0.117 0.000 0.728 343 A CB -0.081 18.992 19.000 0.121 0.000 0.814 343 A HN 0.140 nan 8.150 nan 0.000 0.464 344 V N -0.028 119.872 119.914 -0.025 0.000 2.487 344 V HA 0.587 4.707 4.120 -0.000 0.000 0.298 344 V C 0.106 176.076 176.094 -0.207 0.000 1.028 344 V CA -0.639 61.608 62.300 -0.089 0.000 0.860 344 V CB 1.317 33.075 31.823 -0.108 0.000 0.991 344 V HN 0.348 nan 8.190 nan 0.000 0.427 345 A N 3.495 126.071 122.820 -0.406 0.000 2.666 345 A HA 0.370 4.690 4.320 -0.000 0.000 0.312 345 A C 0.427 177.874 177.584 -0.228 0.000 1.471 345 A CA -0.201 51.602 52.037 -0.390 0.000 1.134 345 A CB -0.370 18.285 19.000 -0.574 0.000 1.129 345 A HN 0.960 nan 8.150 nan 0.000 0.539 346 E N 2.101 122.199 120.200 -0.170 0.000 2.652 346 E HA 0.204 4.554 4.350 -0.000 0.000 0.255 346 E C 1.409 177.933 176.600 -0.126 0.000 0.952 346 E CA 1.257 57.574 56.400 -0.139 0.000 0.947 346 E CB 0.007 29.636 29.700 -0.119 0.000 0.912 346 E HN 1.312 nan 8.360 nan 0.000 0.489 347 G N 3.930 112.658 108.800 -0.120 0.000 2.284 347 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.247 347 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.247 347 G C 1.017 175.859 174.900 -0.098 0.000 1.012 347 G CA 0.583 45.622 45.100 -0.102 0.000 0.618 347 G HN 0.607 nan 8.290 nan 0.000 0.521 348 E N -0.268 119.862 120.200 -0.116 0.000 2.175 348 E HA 0.211 4.561 4.350 -0.000 0.000 0.195 348 E C 2.443 178.976 176.600 -0.112 0.000 0.934 348 E CA 1.908 58.240 56.400 -0.112 0.000 0.870 348 E CB 0.197 29.818 29.700 -0.133 0.000 0.838 348 E HN 0.664 nan 8.360 nan 0.000 0.474 349 T N -2.649 111.819 114.554 -0.143 0.000 3.084 349 T HA 0.601 4.951 4.350 -0.000 0.000 0.270 349 T C 0.557 175.198 174.700 -0.098 0.000 1.008 349 T CA 0.130 62.163 62.100 -0.112 0.000 0.900 349 T CB 0.843 69.644 68.868 -0.112 0.000 1.084 349 T HN 0.215 nan 8.240 nan 0.000 0.538 350 G N 0.720 109.454 108.800 -0.110 0.000 2.333 350 G HA2 0.424 4.384 3.960 -0.000 0.000 0.288 350 G HA3 0.424 4.384 3.960 -0.000 0.000 0.288 350 G C -2.247 172.576 174.900 -0.128 0.000 1.286 350 G CA -1.055 43.981 45.100 -0.107 0.000 0.865 350 G HN 0.356 nan 8.290 nan 0.000 0.506 351 L N -0.254 120.881 121.223 -0.146 0.000 2.333 351 L HA 0.742 5.082 4.340 -0.000 0.000 0.269 351 L C -0.462 176.281 176.870 -0.212 0.000 1.010 351 L CA -0.972 53.758 54.840 -0.183 0.000 0.818 351 L CB 2.080 44.009 42.059 -0.216 0.000 1.306 351 L HN 0.384 nan 8.230 nan 0.000 0.430 352 L N 2.188 123.279 121.223 -0.220 0.000 2.333 352 L HA 0.575 4.915 4.340 -0.000 0.000 0.280 352 L C -0.546 176.141 176.870 -0.304 0.000 1.004 352 L CA -0.770 53.933 54.840 -0.228 0.000 0.820 352 L CB 2.144 44.107 42.059 -0.159 0.000 1.247 352 L HN 0.249 nan 8.230 nan 0.000 0.416 353 V N 1.439 121.106 119.914 -0.411 0.000 2.617 353 V HA 0.317 4.437 4.120 -0.000 0.000 0.298 353 V C -0.475 175.456 176.094 -0.272 0.000 1.048 353 V CA -0.754 61.249 62.300 -0.494 0.000 0.964 353 V CB 1.946 33.142 31.823 -1.046 0.000 1.004 353 V HN 0.614 nan 8.190 nan 0.000 0.466 354 D N 2.945 123.221 120.400 -0.207 0.000 2.233 354 D HA 0.576 5.216 4.640 -0.000 0.000 0.240 354 D C 0.538 176.795 176.300 -0.073 0.000 1.074 354 D CA 0.802 54.734 54.000 -0.113 0.000 0.838 354 D CB 1.519 42.276 40.800 -0.071 0.000 1.124 354 D HN 0.969 nan 8.370 nan 0.000 0.475 355 G N 2.069 110.828 108.800 -0.068 0.000 2.681 355 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.220 355 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.220 355 G C -0.327 174.505 174.900 -0.114 0.000 1.353 355 G CA -0.473 44.636 45.100 0.014 0.000 0.872 355 G HN 0.680 nan 8.290 nan 0.000 0.557 356 H N -0.168 119.010 119.070 0.181 0.000 2.865 356 H HA 0.435 4.991 4.556 -0.000 0.000 0.247 356 H C 1.015 176.447 175.328 0.174 0.000 1.181 356 H CA 0.299 56.410 56.048 0.106 0.000 0.975 356 H CB 0.218 29.855 29.762 -0.208 0.000 1.899 356 H HN 0.730 nan 8.280 nan 0.000 0.651 357 S N 1.340 117.234 115.700 0.324 0.000 2.563 357 S HA -0.031 4.439 4.470 -0.000 0.000 0.294 357 S C -1.625 173.163 174.600 0.314 0.000 1.279 357 S CA -0.810 57.554 58.200 0.274 0.000 1.069 357 S CB 1.326 64.665 63.200 0.233 0.000 0.828 357 S HN 0.133 nan 8.310 nan 0.000 0.497 358 P HA -0.166 nan 4.420 nan 0.000 0.215 358 P C 1.401 178.844 177.300 0.239 0.000 1.153 358 P CA 1.482 64.715 63.100 0.221 0.000 0.853 358 P CB -0.098 31.703 31.700 0.168 0.000 0.788 359 H N 0.320 119.470 119.070 0.134 0.000 2.352 359 H HA -0.088 4.468 4.556 -0.000 0.000 0.299 359 H C 1.772 177.148 175.328 0.079 0.000 1.097 359 H CA 2.158 58.261 56.048 0.091 0.000 1.311 359 H CB -0.878 28.924 29.762 0.065 0.000 1.377 359 H HN -0.014 nan 8.280 nan 0.000 0.504 360 A N -0.066 122.666 122.820 -0.147 0.000 1.902 360 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 360 A C 2.226 179.673 177.584 -0.229 0.000 1.181 360 A CA 1.439 53.324 52.037 -0.255 0.000 0.623 360 A CB -1.276 17.663 19.000 -0.102 0.000 0.818 360 A HN 0.660 nan 8.150 nan 0.000 0.443 361 W N -0.358 120.871 121.300 -0.119 0.000 2.381 361 W HA 0.056 4.716 4.660 -0.000 0.000 0.301 361 W C 2.796 179.265 176.519 -0.084 0.000 1.205 361 W CA 1.386 58.678 57.345 -0.087 0.000 1.285 361 W CB -0.386 29.050 29.460 -0.040 0.000 1.133 361 W HN 0.374 nan 8.180 nan 0.000 0.521 362 A N 0.306 123.194 122.820 0.113 0.000 1.883 362 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 362 A C 1.734 179.279 177.584 -0.065 0.000 1.186 362 A CA 2.316 54.370 52.037 0.028 0.000 0.624 362 A CB -1.015 18.012 19.000 0.045 0.000 0.822 362 A HN 0.182 nan 8.150 nan 0.000 0.444 363 D N -0.098 120.209 120.400 -0.155 0.000 2.116 363 D HA -0.120 4.520 4.640 -0.000 0.000 0.193 363 D C 2.260 178.455 176.300 -0.175 0.000 0.998 363 D CA 1.815 55.700 54.000 -0.190 0.000 0.836 363 D CB -0.459 40.161 40.800 -0.299 0.000 0.951 363 D HN 0.436 nan 8.370 nan 0.000 0.449 364 A N 0.345 123.028 122.820 -0.228 0.000 1.855 364 A HA -0.105 4.215 4.320 -0.000 0.000 0.215 364 A C 2.451 179.939 177.584 -0.159 0.000 1.191 364 A CA 0.948 52.836 52.037 -0.248 0.000 0.613 364 A CB -0.850 17.895 19.000 -0.424 0.000 0.829 364 A HN 0.210 nan 8.150 nan 0.000 0.442 365 L N -0.598 120.565 121.223 -0.100 0.000 1.989 365 L HA -0.259 4.081 4.340 -0.000 0.000 0.211 365 L C 3.142 179.973 176.870 -0.065 0.000 1.071 365 L CA 1.334 56.147 54.840 -0.045 0.000 0.749 365 L CB -0.641 41.428 42.059 0.017 0.000 0.890 365 L HN 0.448 nan 8.230 nan 0.000 0.431 366 A N -0.011 122.765 122.820 -0.074 0.000 1.908 366 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 366 A C 2.426 179.965 177.584 -0.074 0.000 1.181 366 A CA 2.539 54.531 52.037 -0.077 0.000 0.627 366 A CB -1.098 17.858 19.000 -0.073 0.000 0.818 366 A HN 0.567 nan 8.150 nan 0.000 0.445 367 T N -2.428 112.075 114.554 -0.085 0.000 2.951 367 T HA 0.063 4.413 4.350 -0.000 0.000 0.268 367 T C 1.720 176.375 174.700 -0.074 0.000 1.073 367 T CA 1.266 63.319 62.100 -0.080 0.000 1.134 367 T CB -0.303 68.512 68.868 -0.088 0.000 0.884 367 T HN 0.302 nan 8.240 nan 0.000 0.479 368 L N -0.325 120.852 121.223 -0.077 0.000 2.249 368 L HA 0.280 4.620 4.340 -0.000 0.000 0.207 368 L C 2.614 179.452 176.870 -0.055 0.000 1.090 368 L CA 0.488 55.289 54.840 -0.066 0.000 0.802 368 L CB -0.297 41.722 42.059 -0.067 0.000 0.947 368 L HN 0.280 nan 8.230 nan 0.000 0.453 369 L N -0.294 120.895 121.223 -0.056 0.000 2.093 369 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 369 L C 1.566 178.404 176.870 -0.054 0.000 1.085 369 L CA 1.117 55.925 54.840 -0.055 0.000 0.755 369 L CB -0.310 41.711 42.059 -0.063 0.000 0.904 369 L HN 0.280 nan 8.230 nan 0.000 0.435 370 D N -1.351 119.016 120.400 -0.054 0.000 2.339 370 D HA -0.028 4.612 4.640 -0.000 0.000 0.217 370 D C 0.256 176.532 176.300 -0.040 0.000 1.050 370 D CA 0.522 54.494 54.000 -0.047 0.000 0.856 370 D CB 0.169 40.941 40.800 -0.046 0.000 0.922 370 D HN 0.125 nan 8.370 nan 0.000 0.518 371 D N 0.914 121.288 120.400 -0.043 0.000 2.551 371 D HA 0.053 4.693 4.640 -0.000 0.000 0.294 371 D C 0.562 176.840 176.300 -0.037 0.000 1.201 371 D CA -0.390 53.587 54.000 -0.039 0.000 0.941 371 D CB 0.526 41.299 40.800 -0.044 0.000 0.995 371 D HN -0.290 nan 8.370 nan 0.000 0.502 372 D N 1.149 121.530 120.400 -0.032 0.000 2.133 372 D HA -0.212 4.428 4.640 -0.000 0.000 0.195 372 D C 1.525 177.809 176.300 -0.026 0.000 0.997 372 D CA 0.939 54.921 54.000 -0.030 0.000 0.840 372 D CB 0.246 41.030 40.800 -0.026 0.000 0.947 372 D HN 0.621 nan 8.370 nan 0.000 0.452 373 E N -0.108 120.077 120.200 -0.025 0.000 2.038 373 E HA -0.167 4.183 4.350 -0.000 0.000 0.195 373 E C 1.819 178.403 176.600 -0.027 0.000 1.000 373 E CA 1.662 58.049 56.400 -0.023 0.000 0.803 373 E CB 0.109 29.796 29.700 -0.021 0.000 0.750 373 E HN 0.143 nan 8.360 nan 0.000 0.448 374 T N 0.567 115.101 114.554 -0.032 0.000 2.708 374 T HA -0.185 4.165 4.350 -0.000 0.000 0.266 374 T C 1.872 176.548 174.700 -0.040 0.000 1.037 374 T CA 1.434 63.511 62.100 -0.038 0.000 1.146 374 T CB -0.299 68.542 68.868 -0.045 0.000 0.865 374 T HN 0.183 nan 8.240 nan 0.000 0.435 375 R N 0.519 120.995 120.500 -0.039 0.000 2.091 375 R HA -0.045 4.295 4.340 -0.000 0.000 0.238 375 R C 2.404 178.686 176.300 -0.031 0.000 1.136 375 R CA 1.445 57.522 56.100 -0.038 0.000 0.959 375 R CB -0.458 29.820 30.300 -0.037 0.000 0.856 375 R HN 0.392 nan 8.270 nan 0.000 0.437 376 I N 0.090 120.644 120.570 -0.026 0.000 2.315 376 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 376 I C 2.794 178.899 176.117 -0.019 0.000 1.117 376 I CA 1.099 62.387 61.300 -0.019 0.000 1.404 376 I CB -0.234 37.756 38.000 -0.016 0.000 1.071 376 I HN 0.241 nan 8.210 nan 0.000 0.419 377 R N 0.781 121.267 120.500 -0.023 0.000 2.073 377 R HA -0.109 4.231 4.340 -0.000 0.000 0.229 377 R C 2.368 178.651 176.300 -0.028 0.000 1.120 377 R CA 1.203 57.289 56.100 -0.024 0.000 0.967 377 R CB -0.069 30.216 30.300 -0.026 0.000 0.862 377 R HN 0.242 nan 8.270 nan 0.000 0.436 378 M N -0.363 119.215 119.600 -0.036 0.000 2.080 378 M HA -0.111 4.369 4.480 -0.000 0.000 0.260 378 M C 2.308 178.587 176.300 -0.036 0.000 1.068 378 M CA 1.920 57.193 55.300 -0.044 0.000 1.109 378 M CB -0.592 31.975 32.600 -0.055 0.000 1.342 378 M HN 0.413 nan 8.290 nan 0.000 0.405 379 G N 0.011 108.794 108.800 -0.029 0.000 2.476 379 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.218 379 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.218 379 G C 1.327 176.218 174.900 -0.015 0.000 1.164 379 G CA 1.244 46.331 45.100 -0.022 0.000 0.768 379 G HN 0.488 nan 8.290 nan 0.000 0.560 380 E N 0.221 120.414 120.200 -0.013 0.000 2.051 380 E HA -0.097 4.253 4.350 -0.000 0.000 0.192 380 E C 2.110 178.708 176.600 -0.004 0.000 0.991 380 E CA 1.163 57.559 56.400 -0.007 0.000 0.799 380 E CB 0.020 29.716 29.700 -0.007 0.000 0.748 380 E HN 0.287 nan 8.360 nan 0.000 0.449 381 D N -0.049 120.346 120.400 -0.009 0.000 2.269 381 D HA -0.056 4.584 4.640 -0.000 0.000 0.208 381 D C 1.691 178.000 176.300 0.015 0.000 0.963 381 D CA 0.810 54.809 54.000 -0.002 0.000 0.864 381 D CB -0.139 40.650 40.800 -0.018 0.000 0.936 381 D HN 0.159 nan 8.370 nan 0.000 0.505 382 A N 0.604 123.426 122.820 0.002 0.000 1.978 382 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 382 A C 2.437 180.030 177.584 0.016 0.000 1.170 382 A CA 1.119 53.165 52.037 0.015 0.000 0.636 382 A CB -0.594 18.394 19.000 -0.020 0.000 0.810 382 A HN 0.160 nan 8.150 nan 0.000 0.448 383 V N -0.324 119.592 119.914 0.003 0.000 2.307 383 V HA -0.190 3.930 4.120 -0.000 0.000 0.245 383 V C 2.571 178.667 176.094 0.003 0.000 1.045 383 V CA 2.174 64.472 62.300 -0.004 0.000 1.024 383 V CB -0.765 31.059 31.823 0.001 0.000 0.651 383 V HN 0.471 nan 8.190 nan 0.000 0.449 384 E N -0.196 120.017 120.200 0.022 0.000 2.058 384 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 384 E C 2.214 178.850 176.600 0.060 0.000 0.997 384 E CA 1.627 58.048 56.400 0.036 0.000 0.801 384 E CB -0.561 29.163 29.700 0.039 0.000 0.746 384 E HN 0.753 nan 8.360 nan 0.000 0.450 385 H N -0.879 118.172 119.070 -0.032 0.000 2.423 385 H HA 0.040 4.596 4.556 -0.000 0.000 0.297 385 H C 1.508 176.795 175.328 -0.069 0.000 1.075 385 H CA 1.282 57.302 56.048 -0.046 0.000 1.342 385 H CB 0.259 29.969 29.762 -0.086 0.000 1.395 385 H HN 0.168 nan 8.280 nan 0.000 0.530 386 A N 0.862 123.544 122.820 -0.230 0.000 2.119 386 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 386 A C 2.335 179.848 177.584 -0.118 0.000 1.152 386 A CA 0.564 52.440 52.037 -0.269 0.000 0.708 386 A CB -0.392 18.504 19.000 -0.174 0.000 0.805 386 A HN 0.288 nan 8.150 nan 0.000 0.460 387 R N 0.627 121.094 120.500 -0.054 0.000 2.154 387 R HA -0.154 4.186 4.340 -0.000 0.000 0.248 387 R C 2.069 178.368 176.300 -0.002 0.000 1.155 387 R CA 2.547 58.637 56.100 -0.016 0.000 0.979 387 R CB -0.935 29.365 30.300 0.001 0.000 0.869 387 R HN 0.671 nan 8.270 nan 0.000 0.452 388 T N -2.560 112.028 114.554 0.056 0.000 2.623 388 T HA -0.024 4.326 4.350 -0.000 0.000 0.254 388 T C 0.736 175.368 174.700 -0.114 0.000 1.075 388 T CA 0.881 63.002 62.100 0.035 0.000 1.177 388 T CB -0.337 68.588 68.868 0.095 0.000 0.869 388 T HN 0.298 nan 8.240 nan 0.000 0.403 389 F N 2.042 121.853 119.950 -0.231 0.000 2.912 389 F HA -0.155 4.372 4.527 -0.000 0.000 0.349 389 F C 0.279 175.861 175.800 -0.363 0.000 0.986 389 F CA 0.174 57.976 58.000 -0.330 0.000 1.216 389 F CB -1.550 37.244 39.000 -0.344 0.000 1.406 389 F HN 0.681 nan 8.300 nan 0.000 0.709 390 S N -1.977 113.571 115.700 -0.253 0.000 2.547 390 S HA 0.446 4.916 4.470 -0.000 0.000 0.270 390 S C 0.335 174.758 174.600 -0.294 0.000 1.150 390 S CA -0.851 57.179 58.200 -0.282 0.000 0.850 390 S CB 0.806 63.936 63.200 -0.117 0.000 1.118 390 S HN 0.261 nan 8.310 nan 0.000 0.461 391 W N 1.243 122.503 121.300 -0.065 0.000 2.374 391 W HA 0.031 4.691 4.660 -0.000 0.000 0.288 391 W C 2.665 179.128 176.519 -0.093 0.000 1.218 391 W CA 0.871 58.158 57.345 -0.097 0.000 1.245 391 W CB -0.230 29.182 29.460 -0.079 0.000 1.126 391 W HN 0.923 nan 8.180 nan 0.000 0.545 392 A N 0.508 123.408 122.820 0.134 0.000 1.902 392 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 392 A C 2.050 179.641 177.584 0.012 0.000 1.181 392 A CA 2.154 54.228 52.037 0.062 0.000 0.623 392 A CB -1.186 17.835 19.000 0.034 0.000 0.818 392 A HN 0.199 nan 8.150 nan 0.000 0.443 393 A N -1.080 121.722 122.820 -0.030 0.000 1.930 393 A HA -0.042 4.278 4.320 -0.000 0.000 0.217 393 A C 2.292 179.833 177.584 -0.071 0.000 1.175 393 A CA 2.184 54.177 52.037 -0.073 0.000 0.627 393 A CB -1.204 17.719 19.000 -0.129 0.000 0.815 393 A HN 0.419 nan 8.150 nan 0.000 0.443 394 T N 0.456 114.977 114.554 -0.055 0.000 2.684 394 T HA -0.069 4.281 4.350 -0.000 0.000 0.267 394 T C 2.259 176.959 174.700 -0.000 0.000 1.036 394 T CA 1.750 63.836 62.100 -0.023 0.000 1.148 394 T CB -0.526 68.364 68.868 0.037 0.000 0.863 394 T HN 0.602 nan 8.240 nan 0.000 0.436 395 A N 1.690 124.524 122.820 0.023 0.000 1.865 395 A HA 0.050 4.370 4.320 -0.000 0.000 0.217 395 A C 2.698 180.240 177.584 -0.069 0.000 1.191 395 A CA 2.167 54.196 52.037 -0.015 0.000 0.623 395 A CB -1.364 17.643 19.000 0.012 0.000 0.826 395 A HN 0.520 nan 8.150 nan 0.000 0.444 396 A N -0.731 122.059 122.820 -0.049 0.000 1.903 396 A HA -0.316 4.004 4.320 -0.000 0.000 0.219 396 A C 2.143 179.677 177.584 -0.084 0.000 1.191 396 A CA 2.028 54.029 52.037 -0.060 0.000 0.638 396 A CB -0.796 18.176 19.000 -0.046 0.000 0.823 396 A HN 0.694 nan 8.150 nan 0.000 0.451 397 Q N -0.638 119.113 119.800 -0.082 0.000 2.061 397 Q HA -0.168 4.172 4.340 -0.000 0.000 0.204 397 Q C 2.214 178.137 176.000 -0.129 0.000 0.984 397 Q CA 1.643 57.396 55.803 -0.084 0.000 0.846 397 Q CB -0.399 28.300 28.738 -0.066 0.000 0.902 397 Q HN 0.714 nan 8.270 nan 0.000 0.421 398 L N 0.017 121.130 121.223 -0.184 0.000 2.012 398 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 398 L C 2.672 179.117 176.870 -0.707 0.000 1.073 398 L CA 0.992 55.579 54.840 -0.422 0.000 0.748 398 L CB -0.594 41.220 42.059 -0.410 0.000 0.891 398 L HN 0.192 nan 8.230 nan 0.000 0.431 399 S N -0.649 114.773 115.700 -0.462 0.000 2.380 399 S HA -0.240 4.230 4.470 -0.000 0.000 0.229 399 S C 2.220 176.751 174.600 -0.115 0.000 1.043 399 S CA 1.904 59.941 58.200 -0.271 0.000 1.038 399 S CB -0.134 63.000 63.200 -0.111 0.000 0.872 399 S HN 0.424 nan 8.310 nan 0.000 0.456 400 S N 1.063 116.707 115.700 -0.093 0.000 2.356 400 S HA -0.062 4.407 4.470 -0.000 0.000 0.223 400 S C 1.720 176.323 174.600 0.005 0.000 1.032 400 S CA 1.178 59.361 58.200 -0.029 0.000 1.005 400 S CB -0.538 62.643 63.200 -0.032 0.000 0.867 400 S HN 0.335 nan 8.310 nan 0.000 0.449 401 L N 0.874 122.083 121.223 -0.024 0.000 2.012 401 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 401 L C 2.135 179.115 176.870 0.183 0.000 1.073 401 L CA 1.753 56.622 54.840 0.048 0.000 0.748 401 L CB -0.963 41.108 42.059 0.019 0.000 0.891 401 L HN 0.292 nan 8.230 nan 0.000 0.431 402 Y N -0.116 120.188 120.300 0.007 0.000 2.097 402 Y HA -0.232 4.318 4.550 -0.000 0.000 0.282 402 Y C 2.643 178.561 175.900 0.029 0.000 1.152 402 Y CA 1.056 59.169 58.100 0.022 0.000 1.136 402 Y CB -1.334 37.154 38.460 0.047 0.000 0.975 402 Y HN 0.331 nan 8.280 nan 0.000 0.498 403 N N 0.529 119.350 118.700 0.201 0.000 2.061 403 N HA -0.173 4.567 4.740 -0.000 0.000 0.193 403 N C 1.296 176.856 175.510 0.084 0.000 1.030 403 N CA 1.732 54.852 53.050 0.116 0.000 0.856 403 N CB -0.468 38.068 38.487 0.081 0.000 1.023 403 N HN 0.410 nan 8.380 nan 0.000 0.424 404 D N 1.140 121.584 120.400 0.073 0.000 2.097 404 D HA -0.081 4.559 4.640 -0.000 0.000 0.195 404 D C 1.914 178.249 176.300 0.057 0.000 0.989 404 D CA 1.100 55.132 54.000 0.054 0.000 0.827 404 D CB -0.511 40.314 40.800 0.041 0.000 0.966 404 D HN 0.229 nan 8.370 nan 0.000 0.456 405 A N 1.340 124.204 122.820 0.073 0.000 1.908 405 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 405 A C 2.282 179.900 177.584 0.055 0.000 1.181 405 A CA 1.084 53.157 52.037 0.060 0.000 0.627 405 A CB -0.578 18.460 19.000 0.064 0.000 0.818 405 A HN 0.157 nan 8.150 nan 0.000 0.445 406 I N -0.376 120.233 120.570 0.066 0.000 2.202 406 I HA -0.210 3.960 4.170 -0.000 0.000 0.242 406 I C 2.935 179.081 176.117 0.049 0.000 1.091 406 I CA 1.480 62.815 61.300 0.059 0.000 1.368 406 I CB -1.520 36.520 38.000 0.066 0.000 1.058 406 I HN 0.366 nan 8.210 nan 0.000 0.410 407 A N 1.067 123.915 122.820 0.047 0.000 1.930 407 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 407 A C 1.870 179.474 177.584 0.033 0.000 1.175 407 A CA 1.707 53.767 52.037 0.038 0.000 0.627 407 A CB -1.027 17.994 19.000 0.035 0.000 0.815 407 A HN 0.482 nan 8.150 nan 0.000 0.443 408 N N -0.050 118.671 118.700 0.034 0.000 2.434 408 N HA 0.102 4.842 4.740 -0.000 0.000 0.196 408 N C 0.539 176.068 175.510 0.031 0.000 1.183 408 N CA -0.074 52.994 53.050 0.029 0.000 0.849 408 N CB 0.073 38.576 38.487 0.027 0.000 0.992 408 N HN 0.649 nan 8.380 nan 0.000 0.460 409 E N 0.000 120.221 120.200 0.035 0.000 2.725 409 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 409 E CA 0.000 56.423 56.400 0.038 0.000 0.976 409 E CB 0.000 29.726 29.700 0.043 0.000 0.812 409 E HN 0.000 nan 8.360 nan 0.000 0.440