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 1b8g_1_A DATA FIRST_RESID 3 DATA SEQUENCE MLSRNATXXX XXXXSSYFLG WQEYEKNPYH EVHNTNGIIQ MGLAENQLCF DATA SEQUENCE DLLESWLAKN PEAAAFKKNG ESIFAELALF QDYHGLPAFK KAMVDFMAEI DATA SEQUENCE RGNKVTFDPN HLVLTAGATS ANETFIFCLA DPGEAVLIPT PYYPGFDRDL DATA SEQUENCE KWRTGVEIVP IHCTSSNGFQ ITETALEEAY QEAEKRNLRV KGVLVTNPSN DATA SEQUENCE PLGTTMTRNE LYLLLSFVED KGIHLISDEI YSGTAFSSPS FISVMEVLKD DATA SEQUENCE RNCDENSEVW QRVHVVYSLS KDLGLPGFRV GAIYSNDDMV VAAATKMSSF DATA SEQUENCE GLVSSQTQHL LSAMLSDKKL TKNYIAENHK RLKQRQKKLV SGLQKSGISC DATA SEQUENCE LNGNAGLFCW VDMRHLLRSN TFEAEMELWK KIVYEVHLNI SPGSSCHCTE DATA SEQUENCE PGWFRVCFAN LPERTLDLAM QRLKAFVG 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 3 M HA 0.000 nan 4.480 nan 0.000 0.227 3 M C 0.000 176.305 176.300 0.008 0.000 1.140 3 M CA 0.000 55.305 55.300 0.008 0.000 0.988 3 M CB 0.000 32.603 32.600 0.006 0.000 1.302 4 L N -0.269 120.962 121.223 0.013 0.000 2.578 4 L HA 0.662 5.001 4.340 -0.000 0.000 0.259 4 L C 1.201 178.080 176.870 0.015 0.000 1.082 4 L CA -0.669 54.179 54.840 0.014 0.000 0.843 4 L CB 0.790 42.862 42.059 0.023 0.000 1.535 4 L HN 0.248 nan 8.230 nan 0.000 0.510 5 S N -1.064 114.646 115.700 0.016 0.000 2.645 5 S HA 0.292 4.762 4.470 -0.000 0.000 0.266 5 S C 0.874 175.498 174.600 0.039 0.000 1.258 5 S CA -0.615 57.595 58.200 0.016 0.000 0.990 5 S CB 1.172 64.370 63.200 -0.003 0.000 0.967 5 S HN 0.528 nan 8.310 nan 0.000 0.556 6 R N 0.719 121.244 120.500 0.041 0.000 2.081 6 R HA -0.077 4.263 4.340 -0.000 0.000 0.235 6 R C 1.819 178.189 176.300 0.118 0.000 1.131 6 R CA 1.576 57.715 56.100 0.064 0.000 0.960 6 R CB -0.656 29.677 30.300 0.055 0.000 0.856 6 R HN 0.630 nan 8.270 nan 0.000 0.436 7 N N 0.928 119.704 118.700 0.127 0.000 2.205 7 N HA -0.131 4.609 4.740 -0.000 0.000 0.186 7 N C 1.346 177.068 175.510 0.354 0.000 1.015 7 N CA 1.424 54.631 53.050 0.263 0.000 0.862 7 N CB -0.181 38.298 38.487 -0.014 0.000 0.986 7 N HN 0.226 nan 8.380 nan 0.000 0.429 8 A N -0.111 122.818 122.820 0.182 0.000 2.238 8 A HA 0.124 4.444 4.320 -0.000 0.000 0.208 8 A C 0.857 178.522 177.584 0.136 0.000 1.177 8 A CA 0.649 52.790 52.037 0.173 0.000 0.804 8 A CB -0.245 18.808 19.000 0.089 0.000 0.823 8 A HN 0.407 nan 8.150 nan 0.000 0.482 18 S N 2.042 117.740 115.700 -0.003 0.000 3.716 18 S HA 0.188 4.657 4.470 -0.000 0.000 0.254 18 S C -0.114 174.515 174.600 0.047 0.000 1.209 18 S CA 0.043 58.292 58.200 0.082 0.000 1.026 18 S CB -0.475 62.758 63.200 0.054 0.000 1.625 18 S HN 0.479 nan 8.310 nan 0.000 0.500 19 Y N -0.023 120.402 120.300 0.208 0.000 2.531 19 Y HA 0.330 4.879 4.550 -0.000 0.000 0.249 19 Y C 0.863 176.959 175.900 0.327 0.000 1.168 19 Y CA -0.683 57.527 58.100 0.183 0.000 1.226 19 Y CB 0.089 38.483 38.460 -0.110 0.000 1.177 19 Y HN 0.571 nan 8.280 nan 0.000 0.527 20 F N -0.494 119.675 119.950 0.366 0.000 2.802 20 F HA -0.088 4.439 4.527 -0.000 0.000 0.300 20 F C 1.996 178.031 175.800 0.391 0.000 1.168 20 F CA 0.373 58.591 58.000 0.364 0.000 1.433 20 F CB 0.036 39.151 39.000 0.192 0.000 1.115 20 F HN 0.081 nan 8.300 nan 0.000 0.582 21 L N 0.108 121.642 121.223 0.517 0.000 1.963 21 L HA -0.241 4.099 4.340 -0.000 0.000 0.220 21 L C 2.504 179.498 176.870 0.206 0.000 1.076 21 L CA 2.434 57.460 54.840 0.310 0.000 0.772 21 L CB -1.581 40.605 42.059 0.212 0.000 0.892 21 L HN 0.278 nan 8.230 nan 0.000 0.435 22 G N -1.830 107.087 108.800 0.196 0.000 2.469 22 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.220 22 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.220 22 G C 1.352 176.324 174.900 0.121 0.000 1.136 22 G CA 0.772 45.897 45.100 0.043 0.000 0.759 22 G HN 0.492 nan 8.290 nan 0.000 0.562 23 W N 0.537 121.958 121.300 0.203 0.000 2.381 23 W HA 0.049 4.709 4.660 -0.000 0.000 0.301 23 W C 3.085 179.796 176.519 0.319 0.000 1.205 23 W CA 1.316 58.816 57.345 0.257 0.000 1.285 23 W CB -0.042 29.577 29.460 0.264 0.000 1.133 23 W HN 0.229 nan 8.180 nan 0.000 0.521 24 Q N -0.159 119.958 119.800 0.527 0.000 2.050 24 Q HA -0.211 4.129 4.340 -0.000 0.000 0.202 24 Q C 2.145 178.273 176.000 0.213 0.000 0.980 24 Q CA 1.602 57.613 55.803 0.347 0.000 0.840 24 Q CB -0.230 28.669 28.738 0.269 0.000 0.898 24 Q HN 0.124 nan 8.270 nan 0.000 0.424 25 E N -0.211 120.081 120.200 0.154 0.000 2.118 25 E HA -0.224 4.125 4.350 -0.000 0.000 0.195 25 E C 1.720 178.364 176.600 0.073 0.000 0.992 25 E CA 1.049 57.495 56.400 0.077 0.000 0.804 25 E CB -0.390 29.287 29.700 -0.038 0.000 0.741 25 E HN 0.442 nan 8.360 nan 0.000 0.458 26 Y N 2.063 122.344 120.300 -0.032 0.000 2.089 26 Y HA -0.193 4.357 4.550 -0.000 0.000 0.282 26 Y C 2.119 178.016 175.900 -0.004 0.000 1.139 26 Y CA 2.038 60.096 58.100 -0.070 0.000 1.123 26 Y CB -0.352 37.974 38.460 -0.223 0.000 0.980 26 Y HN 0.002 nan 8.280 nan 0.000 0.493 27 E N 0.160 120.301 120.200 -0.098 0.000 2.070 27 E HA -0.261 4.089 4.350 -0.000 0.000 0.197 27 E C 2.289 178.808 176.600 -0.136 0.000 1.004 27 E CA 1.727 58.053 56.400 -0.124 0.000 0.805 27 E CB -0.154 29.639 29.700 0.154 0.000 0.744 27 E HN 0.425 nan 8.360 nan 0.000 0.451 28 K N 0.271 120.645 120.400 -0.043 0.000 1.984 28 K HA -0.098 4.222 4.320 -0.000 0.000 0.209 28 K C 0.987 177.550 176.600 -0.062 0.000 1.046 28 K CA 1.020 57.294 56.287 -0.023 0.000 0.934 28 K CB 0.005 32.523 32.500 0.031 0.000 0.717 28 K HN -0.046 nan 8.250 nan 0.000 0.438 29 N N 0.892 119.551 118.700 -0.070 0.000 3.012 29 N HA 0.147 4.887 4.740 -0.000 0.000 0.270 29 N C -2.839 172.600 175.510 -0.118 0.000 1.469 29 N CA -2.270 50.742 53.050 -0.063 0.000 0.928 29 N CB 0.904 39.399 38.487 0.014 0.000 1.219 29 N HN -0.069 nan 8.380 nan 0.000 0.492 30 P HA 0.064 nan 4.420 nan 0.000 0.276 30 P C -0.551 176.717 177.300 -0.055 0.000 1.230 30 P CA -0.249 62.635 63.100 -0.359 0.000 0.776 30 P CB 0.516 31.853 31.700 -0.605 0.000 0.888 31 Y N 3.861 124.175 120.300 0.022 0.000 2.480 31 Y HA 0.258 4.807 4.550 -0.000 0.000 0.338 31 Y C -0.439 175.488 175.900 0.046 0.000 1.220 31 Y CA 0.501 58.613 58.100 0.020 0.000 1.430 31 Y CB 0.424 38.917 38.460 0.055 0.000 1.311 31 Y HN 0.472 nan 8.280 nan 0.000 0.575 32 H N 3.966 122.345 119.070 -1.152 0.000 2.966 32 H HA 0.211 4.766 4.556 -0.000 0.000 0.347 32 H C 0.553 175.229 175.328 -1.087 0.000 1.048 32 H CA -0.538 54.889 56.048 -1.035 0.000 1.295 32 H CB 1.587 30.793 29.762 -0.927 0.000 1.744 32 H HN 0.916 nan 8.280 nan 0.000 0.513 33 E N 2.202 121.750 120.200 -1.086 0.000 2.136 33 E HA -0.210 4.140 4.350 -0.000 0.000 0.202 33 E C 0.888 177.160 176.600 -0.547 0.000 1.019 33 E CA 2.461 58.482 56.400 -0.633 0.000 0.819 33 E CB 0.382 29.849 29.700 -0.388 0.000 0.739 33 E HN 0.438 nan 8.360 nan 0.000 0.458 34 V N -0.846 118.623 119.914 -0.742 0.000 2.490 34 V HA -0.093 4.027 4.120 -0.000 0.000 0.238 34 V C 1.612 177.615 176.094 -0.152 0.000 1.056 34 V CA 1.756 63.864 62.300 -0.321 0.000 1.075 34 V CB -0.382 31.356 31.823 -0.141 0.000 0.746 34 V HN 0.455 nan 8.190 nan 0.000 0.479 35 H N -1.476 117.533 119.070 -0.102 0.000 2.529 35 H HA 0.370 4.926 4.556 -0.000 0.000 0.277 35 H C 0.446 175.745 175.328 -0.048 0.000 1.004 35 H CA 0.271 56.302 56.048 -0.028 0.000 1.167 35 H CB -0.008 29.776 29.762 0.037 0.000 1.445 35 H HN 0.369 nan 8.280 nan 0.000 0.554 36 N N 0.485 118.998 118.700 -0.311 0.000 2.635 36 N HA -0.032 4.708 4.740 -0.000 0.000 0.252 36 N C 0.701 176.021 175.510 -0.316 0.000 1.589 36 N CA 0.511 53.415 53.050 -0.243 0.000 0.828 36 N CB 0.337 38.694 38.487 -0.216 0.000 1.403 36 N HN 0.397 nan 8.380 nan 0.000 0.518 37 T N -2.756 111.650 114.554 -0.246 0.000 3.025 37 T HA -0.015 4.335 4.350 -0.000 0.000 0.270 37 T C 0.959 175.721 174.700 0.103 0.000 1.126 37 T CA 0.974 63.008 62.100 -0.110 0.000 1.105 37 T CB 0.001 68.846 68.868 -0.039 0.000 0.884 37 T HN 0.142 nan 8.240 nan 0.000 0.522 38 N N 1.031 119.723 118.700 -0.013 0.000 2.214 38 N HA 0.226 4.966 4.740 -0.000 0.000 0.214 38 N C 0.895 176.290 175.510 -0.191 0.000 1.132 38 N CA 0.005 53.002 53.050 -0.087 0.000 0.856 38 N CB 0.674 39.071 38.487 -0.151 0.000 1.020 38 N HN 0.580 nan 8.380 nan 0.000 0.509 39 G N 0.612 109.411 108.800 -0.003 0.000 2.634 39 G HA2 0.322 4.281 3.960 -0.000 0.000 0.255 39 G HA3 0.322 4.281 3.960 -0.000 0.000 0.255 39 G C 0.146 175.136 174.900 0.150 0.000 1.205 39 G CA -0.427 44.689 45.100 0.027 0.000 0.884 39 G HN 0.129 nan 8.290 nan 0.000 0.549 40 I N 0.163 120.834 120.570 0.167 0.000 2.556 40 I HA 0.078 4.248 4.170 -0.000 0.000 0.284 40 I C 0.398 176.658 176.117 0.240 0.000 1.114 40 I CA 0.319 61.739 61.300 0.201 0.000 1.418 40 I CB 0.744 38.855 38.000 0.184 0.000 1.394 40 I HN 0.173 nan 8.210 nan 0.000 0.552 41 I N 6.431 127.029 120.570 0.048 0.000 2.365 41 I HA 0.133 4.303 4.170 -0.000 0.000 0.291 41 I C 0.268 176.285 176.117 -0.167 0.000 1.004 41 I CA -0.526 60.728 61.300 -0.077 0.000 1.311 41 I CB 0.788 38.639 38.000 -0.250 0.000 1.401 41 I HN 0.469 nan 8.210 nan 0.000 0.491 42 Q N 7.422 127.044 119.800 -0.296 0.000 2.337 42 Q HA 0.329 4.669 4.340 -0.000 0.000 0.255 42 Q C -0.223 175.604 176.000 -0.289 0.000 0.997 42 Q CA 0.291 55.782 55.803 -0.520 0.000 0.925 42 Q CB 1.267 29.460 28.738 -0.907 0.000 1.212 42 Q HN 0.645 nan 8.270 nan 0.000 0.436 43 M N 1.163 120.630 119.600 -0.222 0.000 2.625 43 M HA 0.252 4.732 4.480 -0.000 0.000 0.396 43 M C 0.886 177.151 176.300 -0.058 0.000 1.174 43 M CA -0.055 55.183 55.300 -0.102 0.000 0.898 43 M CB 1.276 33.843 32.600 -0.056 0.000 1.450 43 M HN 0.509 nan 8.290 nan 0.000 0.522 44 G N 0.622 109.353 108.800 -0.115 0.000 3.324 44 G HA2 0.347 4.307 3.960 -0.000 0.000 0.251 44 G HA3 0.347 4.307 3.960 -0.000 0.000 0.251 44 G C -0.021 174.925 174.900 0.076 0.000 1.072 44 G CA -0.060 45.029 45.100 -0.018 0.000 0.787 44 G HN 0.287 nan 8.290 nan 0.000 0.537 45 L N 2.130 123.380 121.223 0.044 0.000 2.276 45 L HA 0.597 4.937 4.340 -0.000 0.000 0.286 45 L C 0.356 177.300 176.870 0.124 0.000 1.024 45 L CA -0.823 54.106 54.840 0.149 0.000 0.826 45 L CB 1.630 43.764 42.059 0.125 0.000 1.211 45 L HN 0.070 nan 8.230 nan 0.000 0.422 46 A N 5.430 128.351 122.820 0.168 0.000 3.026 46 A HA 0.253 4.572 4.320 -0.000 0.000 0.272 46 A C 0.173 177.847 177.584 0.150 0.000 1.782 46 A CA -0.259 51.905 52.037 0.211 0.000 1.451 46 A CB -0.516 18.687 19.000 0.337 0.000 1.081 46 A HN 0.759 nan 8.150 nan 0.000 0.611 47 E N 0.647 120.899 120.200 0.087 0.000 2.266 47 E HA 0.410 4.760 4.350 -0.000 0.000 0.268 47 E C -1.074 175.529 176.600 0.006 0.000 0.879 47 E CA -1.089 55.348 56.400 0.062 0.000 0.762 47 E CB 1.146 30.902 29.700 0.094 0.000 1.199 47 E HN 0.183 nan 8.360 nan 0.000 0.422 48 N N 2.363 121.045 118.700 -0.029 0.000 2.485 48 N HA 0.080 4.819 4.740 -0.000 0.000 0.243 48 N C -0.538 174.836 175.510 -0.226 0.000 0.987 48 N CA -0.196 52.795 53.050 -0.098 0.000 0.940 48 N CB 1.031 39.467 38.487 -0.086 0.000 1.122 48 N HN 0.552 nan 8.380 nan 0.000 0.509 49 Q N 3.284 122.989 119.800 -0.158 0.000 2.198 49 Q HA 0.208 4.547 4.340 -0.000 0.000 0.209 49 Q C 1.098 176.985 176.000 -0.187 0.000 0.848 49 Q CA -0.069 55.623 55.803 -0.186 0.000 0.974 49 Q CB 0.745 29.545 28.738 0.104 0.000 1.115 49 Q HN 0.616 nan 8.270 nan 0.000 0.494 50 L N -0.617 120.492 121.223 -0.190 0.000 2.156 50 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 50 L C 1.293 178.080 176.870 -0.138 0.000 1.095 50 L CA 0.746 55.514 54.840 -0.119 0.000 0.770 50 L CB 0.054 42.061 42.059 -0.087 0.000 0.914 50 L HN 0.287 nan 8.230 nan 0.000 0.439 51 C N -1.107 118.060 119.300 -0.221 0.000 2.849 51 C HA 0.231 4.691 4.460 -0.000 0.000 0.271 51 C C 1.766 176.777 174.990 0.036 0.000 1.519 51 C CA -0.904 58.037 59.018 -0.129 0.000 1.783 51 C CB -1.122 26.433 27.740 -0.308 0.000 2.869 51 C HN 0.295 nan 8.230 nan 0.000 0.527 52 F N 2.953 122.962 119.950 0.097 0.000 2.333 52 F HA -0.113 4.414 4.527 -0.000 0.000 0.300 52 F C 2.322 178.179 175.800 0.096 0.000 1.083 52 F CA 1.700 59.757 58.000 0.094 0.000 1.395 52 F CB -0.336 38.700 39.000 0.060 0.000 1.056 52 F HN 0.444 nan 8.300 nan 0.000 0.529 53 D N 0.123 120.672 120.400 0.247 0.000 2.178 53 D HA -0.192 4.448 4.640 -0.000 0.000 0.202 53 D C 2.113 178.517 176.300 0.173 0.000 0.974 53 D CA 1.069 55.174 54.000 0.175 0.000 0.841 53 D CB -0.924 39.945 40.800 0.116 0.000 0.953 53 D HN 0.294 nan 8.370 nan 0.000 0.478 54 L N -0.017 121.313 121.223 0.177 0.000 2.046 54 L HA -0.104 4.235 4.340 -0.000 0.000 0.208 54 L C 2.839 179.862 176.870 0.255 0.000 1.077 54 L CA 0.792 55.750 54.840 0.198 0.000 0.747 54 L CB -0.391 41.787 42.059 0.199 0.000 0.896 54 L HN 0.005 nan 8.230 nan 0.000 0.432 55 L N -0.724 120.663 121.223 0.273 0.000 2.072 55 L HA -0.164 4.176 4.340 -0.000 0.000 0.205 55 L C 2.448 179.481 176.870 0.272 0.000 1.079 55 L CA 1.133 56.118 54.840 0.242 0.000 0.752 55 L CB -0.480 41.709 42.059 0.217 0.000 0.906 55 L HN 0.259 nan 8.230 nan 0.000 0.436 56 E N -0.282 120.057 120.200 0.230 0.000 2.110 56 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 56 E C 2.399 179.102 176.600 0.173 0.000 0.988 56 E CA 1.310 57.816 56.400 0.178 0.000 0.804 56 E CB 0.070 29.852 29.700 0.137 0.000 0.745 56 E HN 0.222 nan 8.360 nan 0.000 0.458 57 S N -0.371 115.437 115.700 0.181 0.000 2.348 57 S HA -0.194 4.276 4.470 -0.000 0.000 0.221 57 S C 1.418 176.121 174.600 0.172 0.000 1.033 57 S CA 1.332 59.621 58.200 0.149 0.000 1.010 57 S CB -0.366 62.922 63.200 0.146 0.000 0.891 57 S HN 0.511 nan 8.310 nan 0.000 0.442 58 W N 1.868 123.198 121.300 0.049 0.000 2.338 58 W HA -0.088 4.572 4.660 -0.000 0.000 0.304 58 W C 1.765 178.295 176.519 0.019 0.000 1.212 58 W CA 1.219 58.584 57.345 0.033 0.000 1.264 58 W CB -0.369 29.112 29.460 0.035 0.000 1.142 58 W HN 0.253 nan 8.180 nan 0.000 0.512 59 L N 0.336 121.781 121.223 0.369 0.000 2.046 59 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 59 L C 2.725 179.564 176.870 -0.053 0.000 1.077 59 L CA 1.432 56.386 54.840 0.190 0.000 0.747 59 L CB -1.236 40.963 42.059 0.233 0.000 0.896 59 L HN 0.125 nan 8.230 nan 0.000 0.432 60 A N 0.281 123.090 122.820 -0.018 0.000 1.902 60 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 60 A C 2.201 179.711 177.584 -0.123 0.000 1.181 60 A CA 1.622 53.630 52.037 -0.048 0.000 0.623 60 A CB -0.280 18.717 19.000 -0.006 0.000 0.818 60 A HN 0.369 nan 8.150 nan 0.000 0.443 61 K N -0.180 120.109 120.400 -0.186 0.000 2.418 61 K HA 0.064 4.384 4.320 -0.000 0.000 0.195 61 K C -0.265 176.111 176.600 -0.373 0.000 1.035 61 K CA 0.552 56.698 56.287 -0.234 0.000 1.003 61 K CB 0.130 32.504 32.500 -0.209 0.000 0.793 61 K HN 0.349 nan 8.250 nan 0.000 0.494 62 N N 1.319 119.682 118.700 -0.561 0.000 2.723 62 N HA 0.094 4.834 4.740 -0.000 0.000 0.290 62 N C -2.352 172.897 175.510 -0.435 0.000 1.882 62 N CA -0.854 51.791 53.050 -0.676 0.000 0.851 62 N CB 1.318 38.917 38.487 -1.480 0.000 1.234 62 N HN -0.009 nan 8.380 nan 0.000 0.491 63 P HA -0.109 nan 4.420 nan 0.000 0.222 63 P C 0.643 177.896 177.300 -0.078 0.000 1.147 63 P CA 1.225 64.253 63.100 -0.121 0.000 0.790 63 P CB 0.554 32.205 31.700 -0.081 0.000 0.780 64 E N 1.074 121.225 120.200 -0.082 0.000 2.110 64 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 64 E C 2.329 178.937 176.600 0.013 0.000 0.988 64 E CA 1.466 57.854 56.400 -0.020 0.000 0.804 64 E CB -1.458 28.235 29.700 -0.012 0.000 0.745 64 E HN 0.209 nan 8.360 nan 0.000 0.458 65 A N 1.599 124.410 122.820 -0.015 0.000 1.869 65 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 65 A C 2.359 179.914 177.584 -0.049 0.000 1.203 65 A CA 2.350 54.372 52.037 -0.024 0.000 0.638 65 A CB -1.136 17.925 19.000 0.102 0.000 0.831 65 A HN 0.335 nan 8.150 nan 0.000 0.450 66 A N -1.214 121.570 122.820 -0.059 0.000 2.235 66 A HA 0.478 4.798 4.320 -0.000 0.000 0.208 66 A C 1.679 179.145 177.584 -0.198 0.000 1.172 66 A CA 1.135 53.079 52.037 -0.154 0.000 0.786 66 A CB -0.634 18.318 19.000 -0.080 0.000 0.804 66 A HN 1.132 nan 8.150 nan 0.000 0.479 67 A N -1.747 121.026 122.820 -0.079 0.000 2.460 67 A HA 0.532 4.851 4.320 -0.000 0.000 0.258 67 A C 0.382 178.074 177.584 0.180 0.000 1.300 67 A CA -0.536 51.522 52.037 0.035 0.000 0.913 67 A CB -0.764 18.270 19.000 0.057 0.000 1.031 67 A HN 0.622 nan 8.150 nan 0.000 0.512 68 F N -1.031 119.000 119.950 0.135 0.000 3.067 68 F HA -0.212 4.315 4.527 -0.000 0.000 0.279 68 F C 0.449 176.284 175.800 0.058 0.000 0.945 68 F CA 1.324 59.378 58.000 0.090 0.000 0.948 68 F CB -1.726 37.385 39.000 0.185 0.000 0.898 68 F HN 0.289 nan 8.300 nan 0.000 0.746 69 K N 0.118 120.638 120.400 0.200 0.000 2.378 69 K HA 0.640 4.960 4.320 -0.000 0.000 0.252 69 K C -0.482 176.220 176.600 0.170 0.000 0.931 69 K CA -1.187 55.190 56.287 0.150 0.000 0.794 69 K CB 2.139 34.705 32.500 0.110 0.000 1.181 69 K HN -0.029 nan 8.250 nan 0.000 0.425 70 K N 2.663 123.134 120.400 0.119 0.000 2.621 70 K HA 0.246 4.566 4.320 -0.000 0.000 0.233 70 K C -1.136 175.511 176.600 0.078 0.000 0.972 70 K CA -0.290 56.072 56.287 0.125 0.000 0.988 70 K CB 0.404 32.975 32.500 0.118 0.000 1.187 70 K HN 0.597 nan 8.250 nan 0.000 0.471 71 N N 3.168 121.908 118.700 0.066 0.000 2.771 71 N HA -0.169 4.571 4.740 -0.000 0.000 0.249 71 N C 0.449 175.982 175.510 0.038 0.000 1.069 71 N CA 1.339 54.416 53.050 0.045 0.000 0.688 71 N CB -1.220 37.293 38.487 0.043 0.000 0.928 71 N HN 1.034 nan 8.380 nan 0.000 0.551 72 G N -0.776 108.047 108.800 0.037 0.000 2.220 72 G HA2 -0.350 3.609 3.960 -0.000 0.000 0.269 72 G HA3 -0.350 3.609 3.960 -0.000 0.000 0.269 72 G C -0.075 174.846 174.900 0.036 0.000 0.977 72 G CA 1.143 46.262 45.100 0.031 0.000 0.634 72 G HN 0.726 nan 8.290 nan 0.000 0.539 73 E N 0.178 120.405 120.200 0.044 0.000 2.221 73 E HA 0.597 4.947 4.350 -0.000 0.000 0.268 73 E C -0.369 176.268 176.600 0.062 0.000 0.933 73 E CA -0.351 56.076 56.400 0.045 0.000 0.809 73 E CB 1.807 31.530 29.700 0.038 0.000 1.190 73 E HN 0.316 nan 8.360 nan 0.000 0.406 74 S N 1.416 117.155 115.700 0.064 0.000 2.489 74 S HA 0.274 4.744 4.470 -0.000 0.000 0.277 74 S C 0.479 175.133 174.600 0.090 0.000 1.230 74 S CA -0.758 57.499 58.200 0.095 0.000 1.053 74 S CB -0.170 63.082 63.200 0.086 0.000 0.955 74 S HN 0.577 nan 8.310 nan 0.000 0.488 75 I N 2.669 123.302 120.570 0.105 0.000 3.707 75 I HA 0.397 4.567 4.170 -0.000 0.000 0.330 75 I C 0.948 177.106 176.117 0.069 0.000 1.572 75 I CA -0.508 60.819 61.300 0.045 0.000 1.104 75 I CB -0.151 37.820 38.000 -0.048 0.000 1.240 75 I HN 0.584 nan 8.210 nan 0.000 0.475 76 F N 3.069 123.005 119.950 -0.023 0.000 2.043 76 F HA -0.212 4.314 4.527 -0.000 0.000 0.297 76 F C 2.510 178.223 175.800 -0.144 0.000 1.121 76 F CA 2.324 60.220 58.000 -0.173 0.000 1.199 76 F CB -0.239 38.566 39.000 -0.324 0.000 0.968 76 F HN 0.207 nan 8.300 nan 0.000 0.478 77 A N -0.132 122.626 122.820 -0.103 0.000 1.908 77 A HA -0.294 4.026 4.320 -0.000 0.000 0.218 77 A C 2.225 179.711 177.584 -0.163 0.000 1.181 77 A CA 1.975 53.911 52.037 -0.169 0.000 0.627 77 A CB -1.211 17.786 19.000 -0.004 0.000 0.818 77 A HN 0.671 nan 8.150 nan 0.000 0.445 78 E N -0.163 119.987 120.200 -0.084 0.000 2.077 78 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 78 E C 1.894 178.474 176.600 -0.033 0.000 0.989 78 E CA 1.310 57.688 56.400 -0.038 0.000 0.800 78 E CB -0.236 29.455 29.700 -0.015 0.000 0.746 78 E HN 0.634 nan 8.360 nan 0.000 0.452 79 L N 0.283 121.445 121.223 -0.101 0.000 2.095 79 L HA -0.011 4.328 4.340 -0.000 0.000 0.204 79 L C 2.740 179.544 176.870 -0.109 0.000 1.080 79 L CA 0.768 55.566 54.840 -0.069 0.000 0.759 79 L CB -0.473 41.555 42.059 -0.051 0.000 0.914 79 L HN 0.225 nan 8.230 nan 0.000 0.439 80 A N 0.173 122.782 122.820 -0.352 0.000 1.986 80 A HA -0.176 4.144 4.320 -0.000 0.000 0.220 80 A C 2.175 179.652 177.584 -0.179 0.000 1.171 80 A CA 1.564 53.367 52.037 -0.390 0.000 0.640 80 A CB -0.602 17.973 19.000 -0.707 0.000 0.811 80 A HN 0.414 nan 8.150 nan 0.000 0.451 81 L N -2.447 118.703 121.223 -0.122 0.000 2.446 81 L HA 0.168 4.508 4.340 -0.000 0.000 0.219 81 L C 0.695 177.541 176.870 -0.040 0.000 1.116 81 L CA -0.379 54.416 54.840 -0.075 0.000 0.844 81 L CB -0.112 41.907 42.059 -0.067 0.000 0.970 81 L HN 0.397 nan 8.230 nan 0.000 0.457 82 F N 2.711 122.606 119.950 -0.092 0.000 2.502 82 F HA -0.033 4.494 4.527 -0.000 0.000 0.361 82 F C 1.258 177.030 175.800 -0.046 0.000 1.157 82 F CA 0.124 58.088 58.000 -0.059 0.000 1.096 82 F CB 0.117 39.093 39.000 -0.040 0.000 1.141 82 F HN 0.146 nan 8.300 nan 0.000 0.579 83 Q N 2.697 122.170 119.800 -0.544 0.000 2.084 83 Q HA 0.169 4.509 4.340 -0.000 0.000 0.230 83 Q C -0.541 175.158 176.000 -0.502 0.000 0.806 83 Q CA -0.658 54.938 55.803 -0.345 0.000 1.083 83 Q CB 0.130 28.755 28.738 -0.187 0.000 1.208 83 Q HN 0.442 nan 8.270 nan 0.000 0.462 84 D N 0.777 120.621 120.400 -0.926 0.000 2.450 84 D HA -0.079 4.561 4.640 -0.000 0.000 0.247 84 D C -0.138 176.022 176.300 -0.233 0.000 1.162 84 D CA -0.011 53.610 54.000 -0.632 0.000 0.879 84 D CB 0.602 41.026 40.800 -0.627 0.000 1.163 84 D HN 0.213 nan 8.370 nan 0.000 0.472 85 Y N 2.106 122.259 120.300 -0.245 0.000 2.619 85 Y HA 0.028 4.578 4.550 -0.000 0.000 0.308 85 Y C 1.492 177.250 175.900 -0.237 0.000 1.192 85 Y CA 0.289 58.249 58.100 -0.232 0.000 1.319 85 Y CB -0.722 37.552 38.460 -0.311 0.000 1.030 85 Y HN 0.607 nan 8.280 nan 0.000 0.517 86 H N -0.870 118.287 119.070 0.146 0.000 2.592 86 H HA 0.390 4.945 4.556 -0.000 0.000 0.265 86 H C 1.427 176.884 175.328 0.214 0.000 0.955 86 H CA 0.254 56.388 56.048 0.143 0.000 1.175 86 H CB 0.440 30.262 29.762 0.101 0.000 1.433 86 H HN 0.323 nan 8.280 nan 0.000 0.537 87 G N 0.747 109.797 108.800 0.416 0.000 2.758 87 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.686 87 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.686 87 G C -0.907 174.254 174.900 0.437 0.000 1.389 87 G CA -0.725 44.648 45.100 0.455 0.000 0.845 87 G HN 0.216 nan 8.290 nan 0.000 0.572 88 L N 2.566 123.852 121.223 0.105 0.000 2.534 88 L HA 0.375 4.715 4.340 -0.000 0.000 0.271 88 L C -0.415 176.487 176.870 0.053 0.000 1.178 88 L CA -0.684 54.006 54.840 -0.250 0.000 0.907 88 L CB 0.923 42.792 42.059 -0.315 0.000 1.164 88 L HN 0.386 nan 8.230 nan 0.000 0.482 89 P HA -0.206 nan 4.420 nan 0.000 0.215 89 P C 1.303 178.651 177.300 0.080 0.000 1.157 89 P CA 2.053 65.207 63.100 0.089 0.000 0.874 89 P CB 0.074 31.823 31.700 0.081 0.000 0.790 90 A N -1.106 121.757 122.820 0.071 0.000 1.917 90 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 90 A C 2.152 179.814 177.584 0.130 0.000 1.182 90 A CA 1.707 53.796 52.037 0.087 0.000 0.633 90 A CB -1.842 17.209 19.000 0.084 0.000 0.819 90 A HN 0.152 nan 8.150 nan 0.000 0.448 91 F N 0.414 120.353 119.950 -0.018 0.000 2.146 91 F HA -0.026 4.501 4.527 -0.000 0.000 0.298 91 F C 2.021 177.835 175.800 0.023 0.000 1.096 91 F CA 1.831 59.822 58.000 -0.016 0.000 1.275 91 F CB -0.360 38.621 39.000 -0.031 0.000 1.008 91 F HN 0.133 nan 8.300 nan 0.000 0.480 92 K N -0.076 120.272 120.400 -0.087 0.000 2.209 92 K HA -0.203 4.116 4.320 -0.000 0.000 0.204 92 K C 2.055 178.607 176.600 -0.080 0.000 1.048 92 K CA 1.268 57.470 56.287 -0.142 0.000 0.940 92 K CB -0.059 32.457 32.500 0.027 0.000 0.729 92 K HN 0.074 nan 8.250 nan 0.000 0.451 93 K N 0.864 121.253 120.400 -0.019 0.000 2.044 93 K HA 0.005 4.325 4.320 -0.000 0.000 0.204 93 K C 1.778 178.376 176.600 -0.005 0.000 1.049 93 K CA 1.436 57.734 56.287 0.018 0.000 0.945 93 K CB -0.332 32.194 32.500 0.044 0.000 0.724 93 K HN 0.046 nan 8.250 nan 0.000 0.440 94 A N 0.903 123.707 122.820 -0.027 0.000 1.940 94 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 94 A C 2.208 179.757 177.584 -0.059 0.000 1.176 94 A CA 1.743 53.765 52.037 -0.025 0.000 0.631 94 A CB -0.517 18.483 19.000 -0.001 0.000 0.814 94 A HN 0.353 nan 8.150 nan 0.000 0.446 95 M N -0.911 118.567 119.600 -0.204 0.000 2.077 95 M HA -0.096 4.383 4.480 -0.000 0.000 0.261 95 M C 2.249 178.518 176.300 -0.050 0.000 1.070 95 M CA 1.310 56.500 55.300 -0.183 0.000 1.125 95 M CB -0.991 31.352 32.600 -0.428 0.000 1.339 95 M HN 0.259 nan 8.290 nan 0.000 0.409 96 V N 0.839 120.722 119.914 -0.052 0.000 2.490 96 V HA -0.269 3.851 4.120 -0.000 0.000 0.250 96 V C 1.753 177.892 176.094 0.075 0.000 1.061 96 V CA 1.779 64.080 62.300 0.001 0.000 1.064 96 V CB -0.659 31.224 31.823 0.099 0.000 0.670 96 V HN 0.361 nan 8.190 nan 0.000 0.461 97 D N -0.823 119.625 120.400 0.080 0.000 2.103 97 D HA -0.137 4.503 4.640 -0.000 0.000 0.199 97 D C 1.833 178.213 176.300 0.134 0.000 0.978 97 D CA 1.019 55.082 54.000 0.104 0.000 0.829 97 D CB -0.304 40.552 40.800 0.094 0.000 0.981 97 D HN 0.417 nan 8.370 nan 0.000 0.464 98 F N 1.032 120.955 119.950 -0.046 0.000 2.161 98 F HA -0.105 4.422 4.527 -0.000 0.000 0.300 98 F C 2.259 177.999 175.800 -0.100 0.000 1.089 98 F CA 1.139 59.106 58.000 -0.056 0.000 1.282 98 F CB -0.286 38.680 39.000 -0.056 0.000 1.010 98 F HN -0.118 nan 8.300 nan 0.000 0.485 99 M N -0.691 118.811 119.600 -0.162 0.000 2.175 99 M HA -0.146 4.333 4.480 -0.000 0.000 0.264 99 M C 2.417 178.649 176.300 -0.114 0.000 1.063 99 M CA 1.573 56.625 55.300 -0.413 0.000 1.119 99 M CB -0.638 31.509 32.600 -0.755 0.000 1.377 99 M HN 0.224 nan 8.290 nan 0.000 0.415 100 A N 0.009 122.878 122.820 0.082 0.000 1.873 100 A HA -0.204 4.116 4.320 -0.000 0.000 0.215 100 A C 1.971 179.570 177.584 0.025 0.000 1.186 100 A CA 1.845 53.967 52.037 0.141 0.000 0.616 100 A CB -0.791 18.284 19.000 0.124 0.000 0.823 100 A HN 0.528 nan 8.150 nan 0.000 0.442 101 E N -0.353 119.835 120.200 -0.020 0.000 2.118 101 E HA -0.197 4.152 4.350 -0.000 0.000 0.195 101 E C 1.832 178.372 176.600 -0.100 0.000 0.992 101 E CA 1.283 57.658 56.400 -0.040 0.000 0.804 101 E CB -0.222 29.473 29.700 -0.009 0.000 0.741 101 E HN 0.671 nan 8.360 nan 0.000 0.458 102 I N 0.297 120.728 120.570 -0.230 0.000 2.226 102 I HA -0.230 3.939 4.170 -0.000 0.000 0.245 102 I C 2.072 178.181 176.117 -0.015 0.000 1.100 102 I CA 1.082 62.252 61.300 -0.217 0.000 1.374 102 I CB -0.026 37.734 38.000 -0.401 0.000 1.057 102 I HN -0.062 nan 8.210 nan 0.000 0.413 103 R N 0.931 121.452 120.500 0.034 0.000 2.391 103 R HA 0.102 4.442 4.340 -0.000 0.000 0.225 103 R C 0.990 177.324 176.300 0.055 0.000 1.079 103 R CA 0.515 56.684 56.100 0.115 0.000 1.147 103 R CB -0.398 29.980 30.300 0.130 0.000 1.103 103 R HN 0.444 nan 8.270 nan 0.000 0.499 104 G N 1.754 110.577 108.800 0.038 0.000 2.321 104 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.287 104 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.287 104 G C -0.086 174.822 174.900 0.015 0.000 1.018 104 G CA 0.387 45.504 45.100 0.028 0.000 0.855 104 G HN 0.591 nan 8.290 nan 0.000 0.507 105 N N -2.075 116.632 118.700 0.012 0.000 2.693 105 N HA -0.186 4.554 4.740 -0.000 0.000 0.249 105 N C 1.368 176.867 175.510 -0.019 0.000 1.119 105 N CA 1.823 54.874 53.050 0.002 0.000 0.717 105 N CB -0.546 37.947 38.487 0.009 0.000 1.071 105 N HN 0.667 nan 8.380 nan 0.000 0.555 106 K N -0.028 120.356 120.400 -0.027 0.000 2.305 106 K HA 0.089 4.409 4.320 -0.000 0.000 0.199 106 K C 0.836 177.385 176.600 -0.086 0.000 1.047 106 K CA 0.664 56.924 56.287 -0.046 0.000 0.976 106 K CB 0.556 33.030 32.500 -0.044 0.000 0.765 106 K HN 0.360 nan 8.250 nan 0.000 0.474 107 V N -2.351 117.485 119.914 -0.129 0.000 3.007 107 V HA 0.655 4.775 4.120 -0.000 0.000 0.311 107 V C -0.588 175.300 176.094 -0.343 0.000 1.120 107 V CA -1.042 61.098 62.300 -0.267 0.000 0.980 107 V CB 1.807 33.385 31.823 -0.408 0.000 1.033 107 V HN 0.089 nan 8.190 nan 0.000 0.429 108 T N -0.404 113.894 114.554 -0.427 0.000 2.908 108 T HA 0.839 5.189 4.350 -0.000 0.000 0.290 108 T C -1.075 173.281 174.700 -0.573 0.000 1.034 108 T CA -0.421 61.486 62.100 -0.322 0.000 1.010 108 T CB 1.734 70.536 68.868 -0.111 0.000 1.068 108 T HN 0.556 nan 8.240 nan 0.000 0.481 109 F N 0.795 120.683 119.950 -0.104 0.000 2.495 109 F HA 0.456 4.983 4.527 -0.000 0.000 0.327 109 F C 0.259 176.117 175.800 0.096 0.000 1.103 109 F CA -1.067 56.842 58.000 -0.152 0.000 0.949 109 F CB 1.662 40.403 39.000 -0.433 0.000 1.142 109 F HN 0.585 nan 8.300 nan 0.000 0.457 110 D N 4.951 125.632 120.400 0.469 0.000 2.325 110 D HA 0.189 4.829 4.640 -0.000 0.000 0.251 110 D C -1.584 174.997 176.300 0.469 0.000 1.196 110 D CA -2.471 51.765 54.000 0.393 0.000 0.866 110 D CB 1.444 42.450 40.800 0.343 0.000 1.101 110 D HN 0.123 nan 8.370 nan 0.000 0.476 111 P HA -0.131 nan 4.420 nan 0.000 0.221 111 P C 0.258 177.690 177.300 0.221 0.000 1.145 111 P CA 1.046 64.291 63.100 0.241 0.000 0.795 111 P CB 0.172 31.963 31.700 0.151 0.000 0.775 112 N N -1.564 117.270 118.700 0.222 0.000 2.461 112 N HA -0.047 4.692 4.740 -0.000 0.000 0.188 112 N C 1.277 176.803 175.510 0.026 0.000 1.134 112 N CA 0.169 53.293 53.050 0.124 0.000 0.878 112 N CB -0.275 38.266 38.487 0.091 0.000 0.972 112 N HN 0.335 nan 8.380 nan 0.000 0.456 113 H N -0.397 118.697 119.070 0.040 0.000 2.594 113 H HA 0.170 4.726 4.556 -0.000 0.000 0.279 113 H C -0.541 174.626 175.328 -0.269 0.000 1.042 113 H CA -0.232 55.696 56.048 -0.200 0.000 1.177 113 H CB 0.718 30.211 29.762 -0.449 0.000 1.524 113 H HN 0.100 nan 8.280 nan 0.000 0.537 114 L N 2.022 123.326 121.223 0.134 0.000 2.296 114 L HA 0.327 4.666 4.340 -0.000 0.000 0.286 114 L C -0.480 176.453 176.870 0.104 0.000 1.023 114 L CA -0.721 54.242 54.840 0.205 0.000 0.812 114 L CB 1.521 43.756 42.059 0.293 0.000 1.223 114 L HN -0.098 nan 8.230 nan 0.000 0.421 115 V N 6.194 126.143 119.914 0.060 0.000 2.444 115 V HA 0.541 4.661 4.120 -0.000 0.000 0.294 115 V C -0.478 175.645 176.094 0.049 0.000 1.022 115 V CA -0.672 61.650 62.300 0.038 0.000 0.850 115 V CB 1.533 33.336 31.823 -0.033 0.000 0.992 115 V HN 0.742 nan 8.190 nan 0.000 0.426 116 L N 6.120 127.395 121.223 0.088 0.000 2.439 116 L HA 0.659 4.999 4.340 -0.000 0.000 0.269 116 L C 0.792 177.708 176.870 0.076 0.000 1.179 116 L CA 0.308 55.216 54.840 0.113 0.000 0.828 116 L CB 1.230 43.408 42.059 0.199 0.000 1.106 116 L HN 0.968 nan 8.230 nan 0.000 0.467 117 T N -1.316 113.283 114.554 0.076 0.000 2.865 117 T HA 0.633 4.983 4.350 -0.000 0.000 0.294 117 T C -0.325 174.418 174.700 0.072 0.000 1.119 117 T CA -0.793 61.340 62.100 0.055 0.000 1.007 117 T CB 1.782 70.673 68.868 0.038 0.000 1.225 117 T HN 0.596 nan 8.240 nan 0.000 0.515 118 A N 1.092 123.953 122.820 0.067 0.000 2.990 118 A HA 0.674 4.994 4.320 -0.000 0.000 0.282 118 A C 1.255 178.882 177.584 0.071 0.000 1.688 118 A CA 0.311 52.391 52.037 0.072 0.000 1.391 118 A CB -1.742 17.300 19.000 0.070 0.000 1.112 118 A HN 2.222 nan 8.150 nan 0.000 0.588 119 G N -0.316 108.521 108.800 0.061 0.000 2.746 119 G HA2 0.248 4.207 3.960 -0.000 0.000 0.685 119 G HA3 0.248 4.207 3.960 -0.000 0.000 0.685 119 G C 0.769 175.695 174.900 0.044 0.000 1.350 119 G CA -0.337 44.788 45.100 0.041 0.000 0.837 119 G HN 1.658 nan 8.290 nan 0.000 0.564 120 A N -0.761 122.072 122.820 0.022 0.000 2.066 120 A HA 0.239 4.559 4.320 -0.000 0.000 0.218 120 A C 2.550 180.205 177.584 0.119 0.000 1.157 120 A CA 2.670 54.740 52.037 0.055 0.000 0.670 120 A CB -0.664 18.338 19.000 0.004 0.000 0.804 120 A HN 1.505 nan 8.150 nan 0.000 0.453 121 T N -0.466 114.159 114.554 0.119 0.000 2.720 121 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 121 T C 2.256 177.052 174.700 0.161 0.000 1.037 121 T CA 1.832 64.033 62.100 0.169 0.000 1.144 121 T CB -0.279 68.681 68.868 0.153 0.000 0.864 121 T HN 0.492 nan 8.240 nan 0.000 0.444 122 S N 0.504 116.280 115.700 0.127 0.000 2.357 122 S HA 0.021 4.491 4.470 -0.000 0.000 0.221 122 S C 2.458 177.127 174.600 0.115 0.000 1.031 122 S CA 1.105 59.375 58.200 0.116 0.000 0.982 122 S CB -0.560 62.695 63.200 0.091 0.000 0.853 122 S HN 0.519 nan 8.310 nan 0.000 0.458 123 A N 2.217 125.100 122.820 0.106 0.000 1.908 123 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 123 A C 1.973 179.666 177.584 0.183 0.000 1.181 123 A CA 1.911 54.010 52.037 0.103 0.000 0.627 123 A CB -0.999 18.073 19.000 0.120 0.000 0.818 123 A HN 0.577 nan 8.150 nan 0.000 0.445 124 N N -0.221 118.606 118.700 0.210 0.000 2.018 124 N HA -0.200 4.540 4.740 -0.000 0.000 0.196 124 N C 1.783 177.390 175.510 0.162 0.000 1.043 124 N CA 1.765 54.949 53.050 0.223 0.000 0.856 124 N CB -0.557 38.095 38.487 0.275 0.000 1.042 124 N HN 0.737 nan 8.380 nan 0.000 0.423 125 E N -0.064 120.218 120.200 0.137 0.000 2.077 125 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 125 E C 1.467 178.147 176.600 0.134 0.000 0.989 125 E CA 1.270 57.712 56.400 0.070 0.000 0.800 125 E CB 0.008 29.775 29.700 0.113 0.000 0.746 125 E HN 0.259 nan 8.360 nan 0.000 0.452 126 T N 0.494 115.168 114.554 0.200 0.000 2.720 126 T HA -0.157 4.193 4.350 -0.000 0.000 0.268 126 T C 1.365 176.141 174.700 0.126 0.000 1.037 126 T CA 1.077 63.296 62.100 0.199 0.000 1.144 126 T CB -0.339 68.556 68.868 0.044 0.000 0.864 126 T HN 0.149 nan 8.240 nan 0.000 0.444 127 F N 1.185 121.144 119.950 0.015 0.000 2.134 127 F HA -0.022 4.505 4.527 -0.000 0.000 0.299 127 F C 2.118 177.852 175.800 -0.110 0.000 1.097 127 F CA 0.242 58.197 58.000 -0.074 0.000 1.264 127 F CB -0.454 38.489 39.000 -0.094 0.000 1.001 127 F HN 0.106 nan 8.300 nan 0.000 0.479 128 I N -1.305 119.330 120.570 0.108 0.000 2.226 128 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 128 I C 2.414 178.497 176.117 -0.056 0.000 1.100 128 I CA 1.346 62.608 61.300 -0.062 0.000 1.374 128 I CB -1.473 36.412 38.000 -0.192 0.000 1.057 128 I HN 0.020 nan 8.210 nan 0.000 0.413 129 F N 0.962 120.910 119.950 -0.005 0.000 2.161 129 F HA -0.232 4.295 4.527 -0.000 0.000 0.300 129 F C 2.759 178.540 175.800 -0.031 0.000 1.089 129 F CA 1.238 59.221 58.000 -0.027 0.000 1.282 129 F CB -0.924 38.053 39.000 -0.039 0.000 1.010 129 F HN 0.124 nan 8.300 nan 0.000 0.485 130 C N -0.698 118.696 119.300 0.158 0.000 2.464 130 C HA 0.027 4.487 4.460 -0.000 0.000 0.278 130 C C 2.600 177.595 174.990 0.007 0.000 1.375 130 C CA 0.454 59.508 59.018 0.060 0.000 1.761 130 C CB -1.060 26.681 27.740 0.003 0.000 1.944 130 C HN 0.366 nan 8.230 nan 0.000 0.509 131 L N -0.325 120.883 121.223 -0.026 0.000 2.515 131 L HA 0.336 4.676 4.340 -0.000 0.000 0.223 131 L C 0.893 177.733 176.870 -0.050 0.000 1.079 131 L CA 0.333 55.100 54.840 -0.122 0.000 0.857 131 L CB -0.191 41.687 42.059 -0.303 0.000 1.050 131 L HN 0.191 nan 8.230 nan 0.000 0.476 132 A N -0.659 122.144 122.820 -0.028 0.000 2.449 132 A HA 0.564 4.884 4.320 -0.000 0.000 0.302 132 A C -1.415 176.166 177.584 -0.005 0.000 1.048 132 A CA -0.700 51.326 52.037 -0.019 0.000 0.708 132 A CB 1.288 20.259 19.000 -0.047 0.000 1.274 132 A HN -0.077 nan 8.150 nan 0.000 0.410 133 D N 1.644 122.047 120.400 0.005 0.000 2.348 133 D HA 0.470 5.110 4.640 -0.000 0.000 0.249 133 D C -2.516 173.780 176.300 -0.006 0.000 1.110 133 D CA -1.123 52.886 54.000 0.015 0.000 0.967 133 D CB 0.561 41.373 40.800 0.019 0.000 1.139 133 D HN 0.190 nan 8.370 nan 0.000 0.466 134 P HA 0.116 nan 4.420 nan 0.000 0.266 134 P C 0.797 178.088 177.300 -0.014 0.000 1.195 134 P CA 0.561 63.654 63.100 -0.012 0.000 0.768 134 P CB 0.464 32.166 31.700 0.004 0.000 0.838 135 G N 0.924 109.710 108.800 -0.023 0.000 2.176 135 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.253 135 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.253 135 G C 0.111 174.993 174.900 -0.030 0.000 0.979 135 G CA -0.192 44.895 45.100 -0.022 0.000 0.641 135 G HN 0.555 nan 8.290 nan 0.000 0.530 136 E N -0.187 119.992 120.200 -0.035 0.000 2.284 136 E HA 0.765 5.115 4.350 -0.000 0.000 0.255 136 E C 0.242 176.808 176.600 -0.056 0.000 1.052 136 E CA -0.173 56.202 56.400 -0.041 0.000 0.904 136 E CB 1.759 31.442 29.700 -0.029 0.000 1.217 136 E HN 0.794 nan 8.360 nan 0.000 0.438 137 A N 0.439 123.221 122.820 -0.063 0.000 2.527 137 A HA 0.627 4.946 4.320 -0.000 0.000 0.293 137 A C -1.495 176.044 177.584 -0.075 0.000 1.117 137 A CA -0.605 51.386 52.037 -0.077 0.000 0.723 137 A CB 1.980 20.930 19.000 -0.084 0.000 1.313 137 A HN 0.290 nan 8.150 nan 0.000 0.411 138 V N 1.470 121.325 119.914 -0.099 0.000 2.735 138 V HA 0.620 4.740 4.120 -0.000 0.000 0.310 138 V C -1.129 174.894 176.094 -0.119 0.000 1.061 138 V CA -0.727 61.510 62.300 -0.106 0.000 0.913 138 V CB 1.637 33.362 31.823 -0.163 0.000 1.005 138 V HN 0.781 nan 8.190 nan 0.000 0.428 139 L N 6.915 128.092 121.223 -0.077 0.000 2.289 139 L HA 0.611 4.951 4.340 -0.000 0.000 0.285 139 L C -0.575 176.210 176.870 -0.141 0.000 1.049 139 L CA -0.359 54.434 54.840 -0.079 0.000 0.804 139 L CB 1.430 43.498 42.059 0.015 0.000 1.195 139 L HN 0.462 nan 8.230 nan 0.000 0.428 140 I N 3.831 124.293 120.570 -0.181 0.000 2.499 140 I HA 0.351 4.521 4.170 -0.000 0.000 0.288 140 I C -2.437 173.638 176.117 -0.070 0.000 1.048 140 I CA -2.189 58.981 61.300 -0.216 0.000 1.062 140 I CB 2.564 40.255 38.000 -0.515 0.000 1.238 140 I HN 0.280 nan 8.210 nan 0.000 0.426 141 P HA 0.107 nan 4.420 nan 0.000 0.271 141 P C -0.406 177.001 177.300 0.178 0.000 1.216 141 P CA 0.038 63.165 63.100 0.045 0.000 0.771 141 P CB 0.629 32.340 31.700 0.019 0.000 0.864 142 T N 4.897 119.553 114.554 0.171 0.000 2.875 142 T HA 0.445 4.795 4.350 -0.000 0.000 0.284 142 T C -2.281 172.457 174.700 0.063 0.000 0.995 142 T CA -1.674 60.544 62.100 0.196 0.000 1.060 142 T CB 0.490 69.555 68.868 0.328 0.000 0.967 142 T HN 0.313 nan 8.240 nan 0.000 0.476 143 P HA 0.357 nan 4.420 nan 0.000 0.279 143 P C -1.560 175.650 177.300 -0.150 0.000 1.252 143 P CA -0.353 62.615 63.100 -0.221 0.000 0.811 143 P CB 0.674 32.105 31.700 -0.448 0.000 1.035 144 Y N -1.016 119.249 120.300 -0.058 0.000 2.677 144 Y HA 0.486 5.036 4.550 -0.000 0.000 0.334 144 Y C -0.757 175.130 175.900 -0.022 0.000 1.154 144 Y CA -2.111 55.990 58.100 0.001 0.000 1.070 144 Y CB -0.011 38.567 38.460 0.197 0.000 1.294 144 Y HN 0.257 nan 8.280 nan 0.000 0.475 145 Y N 5.816 126.141 120.300 0.042 0.000 2.770 145 Y HA 0.200 4.750 4.550 -0.000 0.000 0.342 145 Y C -1.619 174.249 175.900 -0.054 0.000 1.221 145 Y CA -2.756 55.189 58.100 -0.258 0.000 1.560 145 Y CB 0.461 38.479 38.460 -0.736 0.000 1.213 145 Y HN 0.500 nan 8.280 nan 0.000 0.525 146 P HA -0.168 nan 4.420 nan 0.000 0.220 146 P C 1.419 178.454 177.300 -0.442 0.000 1.144 146 P CA 1.949 64.880 63.100 -0.281 0.000 0.800 146 P CB -0.021 31.478 31.700 -0.336 0.000 0.772 147 G N -1.001 107.052 108.800 -1.244 0.000 2.470 147 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.220 147 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.220 147 G C 1.174 175.857 174.900 -0.362 0.000 1.121 147 G CA 0.058 44.545 45.100 -1.022 0.000 0.766 147 G HN 0.101 nan 8.290 nan 0.000 0.553 148 F N 1.796 121.592 119.950 -0.256 0.000 2.216 148 F HA -0.001 4.526 4.527 -0.000 0.000 0.300 148 F C 2.164 177.945 175.800 -0.032 0.000 1.085 148 F CA 0.376 58.359 58.000 -0.029 0.000 1.326 148 F CB -0.289 38.670 39.000 -0.069 0.000 1.027 148 F HN 0.159 nan 8.300 nan 0.000 0.497 149 D N -0.701 119.823 120.400 0.206 0.000 2.309 149 D HA -0.137 4.503 4.640 -0.000 0.000 0.212 149 D C 2.434 178.771 176.300 0.061 0.000 0.968 149 D CA 0.610 54.689 54.000 0.132 0.000 0.882 149 D CB 0.015 40.912 40.800 0.161 0.000 0.918 149 D HN 0.251 nan 8.370 nan 0.000 0.503 150 R N 0.471 121.000 120.500 0.050 0.000 2.119 150 R HA -0.039 4.300 4.340 -0.000 0.000 0.202 150 R C 1.177 177.577 176.300 0.167 0.000 1.114 150 R CA 0.365 56.493 56.100 0.047 0.000 1.089 150 R CB 0.219 30.498 30.300 -0.034 0.000 1.000 150 R HN -0.085 nan 8.270 nan 0.000 0.487 151 D N 1.483 121.986 120.400 0.172 0.000 2.104 151 D HA -0.170 4.470 4.640 -0.000 0.000 0.194 151 D C 1.881 178.251 176.300 0.117 0.000 0.994 151 D CA 1.393 55.513 54.000 0.200 0.000 0.830 151 D CB -0.217 40.753 40.800 0.285 0.000 0.959 151 D HN 0.272 nan 8.370 nan 0.000 0.452 152 L N -0.495 120.773 121.223 0.076 0.000 2.492 152 L HA 0.101 4.440 4.340 -0.000 0.000 0.223 152 L C 1.562 178.383 176.870 -0.081 0.000 1.132 152 L CA 0.689 55.499 54.840 -0.050 0.000 0.850 152 L CB -0.095 41.886 42.059 -0.132 0.000 0.966 152 L HN 0.015 nan 8.230 nan 0.000 0.454 153 K N -2.212 118.187 120.400 -0.002 0.000 2.474 153 K HA 0.004 4.324 4.320 -0.000 0.000 0.202 153 K C 1.542 178.204 176.600 0.104 0.000 1.248 153 K CA -0.322 55.968 56.287 0.004 0.000 0.946 153 K CB -0.263 32.243 32.500 0.011 0.000 1.102 153 K HN -0.017 nan 8.250 nan 0.000 0.541 154 W N 3.601 124.865 121.300 -0.061 0.000 2.292 154 W HA -0.169 4.491 4.660 -0.000 0.000 0.330 154 W C 1.417 177.913 176.519 -0.039 0.000 1.264 154 W CA 1.751 59.075 57.345 -0.036 0.000 1.235 154 W CB -0.157 29.296 29.460 -0.012 0.000 1.164 154 W HN -0.098 nan 8.180 nan 0.000 0.461 155 R N -1.029 119.450 120.500 -0.033 0.000 2.312 155 R HA 0.060 4.400 4.340 -0.000 0.000 0.205 155 R C 1.906 178.146 176.300 -0.100 0.000 0.904 155 R CA 1.219 57.230 56.100 -0.148 0.000 1.052 155 R CB -0.477 29.731 30.300 -0.153 0.000 1.014 155 R HN 0.295 nan 8.270 nan 0.000 0.503 156 T N -2.925 111.453 114.554 -0.294 0.000 3.051 156 T HA 0.118 4.468 4.350 -0.000 0.000 0.255 156 T C 1.597 176.197 174.700 -0.166 0.000 1.085 156 T CA 0.683 62.508 62.100 -0.458 0.000 1.109 156 T CB 0.416 68.892 68.868 -0.654 0.000 0.921 156 T HN 0.322 nan 8.240 nan 0.000 0.488 157 G N 0.937 109.688 108.800 -0.081 0.000 2.175 157 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.265 157 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.265 157 G C 0.143 175.013 174.900 -0.050 0.000 0.979 157 G CA 0.252 45.332 45.100 -0.033 0.000 0.663 157 G HN 0.712 nan 8.290 nan 0.000 0.533 158 V N 0.125 119.986 119.914 -0.089 0.000 2.785 158 V HA 0.625 4.745 4.120 -0.000 0.000 0.300 158 V C 0.529 176.579 176.094 -0.074 0.000 1.062 158 V CA -0.280 61.966 62.300 -0.090 0.000 1.029 158 V CB 1.822 33.567 31.823 -0.130 0.000 1.024 158 V HN 0.420 nan 8.190 nan 0.000 0.477 159 E N 2.533 122.689 120.200 -0.072 0.000 2.212 159 E HA 0.564 4.914 4.350 -0.000 0.000 0.270 159 E C -1.112 175.432 176.600 -0.094 0.000 0.956 159 E CA -0.486 55.873 56.400 -0.067 0.000 0.825 159 E CB 1.495 31.163 29.700 -0.052 0.000 1.167 159 E HN 0.499 nan 8.360 nan 0.000 0.400 160 I N 3.224 123.736 120.570 -0.096 0.000 2.354 160 I HA 0.320 4.490 4.170 -0.000 0.000 0.292 160 I C -0.851 175.204 176.117 -0.103 0.000 0.989 160 I CA -1.043 60.176 61.300 -0.136 0.000 1.188 160 I CB 1.647 39.543 38.000 -0.174 0.000 1.342 160 I HN 0.213 nan 8.210 nan 0.000 0.457 161 V N 8.603 128.450 119.914 -0.112 0.000 2.409 161 V HA 0.383 4.503 4.120 -0.000 0.000 0.291 161 V C -2.137 173.885 176.094 -0.120 0.000 1.020 161 V CA -1.724 60.520 62.300 -0.094 0.000 0.848 161 V CB 1.763 33.536 31.823 -0.083 0.000 0.990 161 V HN 0.563 nan 8.190 nan 0.000 0.430 162 P HA 0.373 nan 4.420 nan 0.000 0.279 162 P C -0.772 176.309 177.300 -0.365 0.000 1.239 162 P CA -0.186 62.780 63.100 -0.224 0.000 0.789 162 P CB 1.256 32.804 31.700 -0.252 0.000 0.933 163 I N 3.395 123.817 120.570 -0.247 0.000 2.359 163 I HA 0.237 4.407 4.170 -0.000 0.000 0.284 163 I C 0.658 176.694 176.117 -0.135 0.000 1.018 163 I CA -0.669 60.516 61.300 -0.193 0.000 1.173 163 I CB 0.173 38.103 38.000 -0.116 0.000 1.326 163 I HN 0.348 nan 8.210 nan 0.000 0.462 164 H N 4.407 123.498 119.070 0.035 0.000 2.683 164 H HA 0.314 4.870 4.556 -0.000 0.000 0.339 164 H C -0.505 174.851 175.328 0.046 0.000 1.081 164 H CA -0.255 55.826 56.048 0.056 0.000 1.432 164 H CB 0.922 30.721 29.762 0.062 0.000 1.462 164 H HN 0.530 nan 8.280 nan 0.000 0.557 165 C N 2.259 121.698 119.300 0.232 0.000 2.614 165 C HA 0.594 5.054 4.460 -0.000 0.000 0.320 165 C C 0.237 175.319 174.990 0.153 0.000 1.200 165 C CA -0.709 58.406 59.018 0.161 0.000 1.700 165 C CB 1.342 29.200 27.740 0.196 0.000 2.275 165 C HN 0.968 nan 8.230 nan 0.000 0.492 166 T N -1.779 112.709 114.554 -0.110 0.000 2.887 166 T HA 0.432 4.781 4.350 -0.000 0.000 0.292 166 T C 0.713 174.797 174.700 -1.027 0.000 1.087 166 T CA -0.102 61.762 62.100 -0.393 0.000 1.009 166 T CB 1.311 70.077 68.868 -0.170 0.000 1.203 166 T HN 0.668 nan 8.240 nan 0.000 0.518 167 S N 0.459 115.469 115.700 -1.151 0.000 2.453 167 S HA -0.081 4.388 4.470 -0.000 0.000 0.231 167 S C 1.996 176.372 174.600 -0.374 0.000 1.005 167 S CA 0.813 58.417 58.200 -0.993 0.000 0.949 167 S CB -0.979 62.066 63.200 -0.258 0.000 0.774 167 S HN 0.705 nan 8.310 nan 0.000 0.510 168 S N 3.483 119.035 115.700 -0.247 0.000 2.423 168 S HA -0.148 4.322 4.470 -0.000 0.000 0.238 168 S C 1.343 175.880 174.600 -0.105 0.000 1.028 168 S CA 1.563 59.691 58.200 -0.120 0.000 1.000 168 S CB -0.504 62.642 63.200 -0.089 0.000 0.797 168 S HN 0.939 nan 8.310 nan 0.000 0.487 169 N N -0.796 117.812 118.700 -0.152 0.000 2.451 169 N HA 0.256 4.996 4.740 -0.000 0.000 0.271 169 N C 0.478 175.939 175.510 -0.081 0.000 1.410 169 N CA 0.320 53.316 53.050 -0.091 0.000 0.884 169 N CB -0.080 38.366 38.487 -0.068 0.000 1.332 169 N HN 0.286 nan 8.380 nan 0.000 0.498 170 G N 0.596 109.328 108.800 -0.114 0.000 2.221 170 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.265 170 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.265 170 G C 0.055 175.012 174.900 0.094 0.000 1.041 170 G CA 0.008 45.112 45.100 0.006 0.000 0.807 170 G HN 0.368 nan 8.290 nan 0.000 0.502 171 F N -1.901 117.997 119.950 -0.087 0.000 3.091 171 F HA -0.223 4.303 4.527 -0.000 0.000 0.288 171 F C 1.264 177.007 175.800 -0.096 0.000 0.907 171 F CA 1.579 59.506 58.000 -0.122 0.000 1.028 171 F CB -1.848 37.020 39.000 -0.220 0.000 1.022 171 F HN 0.595 nan 8.300 nan 0.000 0.665 172 Q N -0.081 119.741 119.800 0.036 0.000 2.312 172 Q HA 0.581 4.921 4.340 -0.000 0.000 0.236 172 Q C 0.490 176.489 176.000 -0.002 0.000 0.965 172 Q CA -0.975 54.834 55.803 0.011 0.000 0.894 172 Q CB 1.507 30.239 28.738 -0.010 0.000 1.225 172 Q HN 0.304 nan 8.270 nan 0.000 0.478 173 I N 0.753 121.313 120.570 -0.017 0.000 2.529 173 I HA 0.060 4.229 4.170 -0.000 0.000 0.284 173 I C 0.263 176.350 176.117 -0.049 0.000 1.082 173 I CA 0.618 61.896 61.300 -0.037 0.000 1.406 173 I CB 1.123 39.092 38.000 -0.051 0.000 1.405 173 I HN 0.435 nan 8.210 nan 0.000 0.548 174 T N 4.890 119.405 114.554 -0.064 0.000 2.887 174 T HA 0.152 4.502 4.350 -0.000 0.000 0.288 174 T C 0.890 175.530 174.700 -0.102 0.000 1.021 174 T CA -0.521 61.541 62.100 -0.063 0.000 1.000 174 T CB 1.896 70.738 68.868 -0.043 0.000 1.034 174 T HN 0.655 nan 8.240 nan 0.000 0.467 175 E N 1.408 121.561 120.200 -0.079 0.000 2.118 175 E HA -0.134 4.215 4.350 -0.000 0.000 0.195 175 E C 1.551 178.097 176.600 -0.090 0.000 0.992 175 E CA 1.410 57.756 56.400 -0.090 0.000 0.804 175 E CB 0.180 29.863 29.700 -0.027 0.000 0.741 175 E HN 0.598 nan 8.360 nan 0.000 0.458 176 T N 0.244 114.766 114.554 -0.053 0.000 2.821 176 T HA -0.065 4.285 4.350 -0.000 0.000 0.267 176 T C 1.789 176.465 174.700 -0.039 0.000 1.046 176 T CA 1.081 63.164 62.100 -0.029 0.000 1.139 176 T CB -0.090 68.771 68.868 -0.010 0.000 0.871 176 T HN 0.248 nan 8.240 nan 0.000 0.454 177 A N 0.997 123.781 122.820 -0.061 0.000 1.930 177 A HA 0.104 4.424 4.320 -0.000 0.000 0.217 177 A C 2.262 179.772 177.584 -0.124 0.000 1.175 177 A CA 0.944 52.947 52.037 -0.058 0.000 0.627 177 A CB -0.696 18.277 19.000 -0.044 0.000 0.815 177 A HN 0.438 nan 8.150 nan 0.000 0.443 178 L N -1.024 120.049 121.223 -0.250 0.000 1.994 178 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 178 L C 2.707 179.408 176.870 -0.281 0.000 1.071 178 L CA 1.768 56.306 54.840 -0.503 0.000 0.745 178 L CB -0.489 40.926 42.059 -1.073 0.000 0.892 178 L HN 0.354 nan 8.230 nan 0.000 0.431 179 E N 0.359 120.478 120.200 -0.135 0.000 2.085 179 E HA -0.287 4.063 4.350 -0.000 0.000 0.194 179 E C 2.001 178.681 176.600 0.134 0.000 0.994 179 E CA 1.561 58.025 56.400 0.107 0.000 0.801 179 E CB -0.030 29.718 29.700 0.079 0.000 0.743 179 E HN 0.393 nan 8.360 nan 0.000 0.453 180 E N -0.848 119.386 120.200 0.057 0.000 2.106 180 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 180 E C 1.869 178.508 176.600 0.065 0.000 0.984 180 E CA 0.942 57.380 56.400 0.064 0.000 0.806 180 E CB -0.156 29.569 29.700 0.042 0.000 0.750 180 E HN 0.292 nan 8.360 nan 0.000 0.458 181 A N 0.261 123.103 122.820 0.036 0.000 1.898 181 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 181 A C 2.020 179.656 177.584 0.087 0.000 1.181 181 A CA 1.301 53.345 52.037 0.011 0.000 0.620 181 A CB -0.943 18.028 19.000 -0.047 0.000 0.819 181 A HN 0.546 nan 8.150 nan 0.000 0.442 182 Y N 0.027 120.369 120.300 0.070 0.000 2.165 182 Y HA -0.241 4.309 4.550 -0.000 0.000 0.286 182 Y C 2.662 178.604 175.900 0.069 0.000 1.155 182 Y CA 2.328 60.503 58.100 0.126 0.000 1.164 182 Y CB -0.052 38.570 38.460 0.270 0.000 0.978 182 Y HN 0.332 nan 8.280 nan 0.000 0.513 183 Q N 0.459 120.387 119.800 0.215 0.000 2.167 183 Q HA -0.212 4.127 4.340 -0.000 0.000 0.202 183 Q C 2.119 178.137 176.000 0.030 0.000 0.970 183 Q CA 1.496 57.371 55.803 0.120 0.000 0.855 183 Q CB -0.157 28.658 28.738 0.127 0.000 0.911 183 Q HN 0.636 nan 8.270 nan 0.000 0.438 184 E N -0.524 119.689 120.200 0.021 0.000 2.150 184 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 184 E C 1.647 178.224 176.600 -0.038 0.000 0.985 184 E CA 0.789 57.189 56.400 -0.000 0.000 0.814 184 E CB 0.163 29.865 29.700 0.003 0.000 0.752 184 E HN 0.338 nan 8.360 nan 0.000 0.466 185 A N 0.924 123.694 122.820 -0.083 0.000 1.872 185 A HA -0.182 4.138 4.320 -0.000 0.000 0.214 185 A C 1.979 179.481 177.584 -0.137 0.000 1.187 185 A CA 1.488 53.447 52.037 -0.130 0.000 0.614 185 A CB -0.432 18.441 19.000 -0.212 0.000 0.826 185 A HN 0.233 nan 8.150 nan 0.000 0.442 186 E N -0.316 119.786 120.200 -0.162 0.000 2.085 186 E HA -0.224 4.125 4.350 -0.000 0.000 0.194 186 E C 1.964 178.533 176.600 -0.053 0.000 0.994 186 E CA 1.606 57.937 56.400 -0.115 0.000 0.801 186 E CB -0.062 29.592 29.700 -0.076 0.000 0.743 186 E HN 0.428 nan 8.360 nan 0.000 0.453 187 K N 0.221 120.602 120.400 -0.032 0.000 2.103 187 K HA -0.103 4.217 4.320 -0.000 0.000 0.207 187 K C 1.710 178.300 176.600 -0.017 0.000 1.048 187 K CA 1.344 57.623 56.287 -0.012 0.000 0.930 187 K CB 0.043 32.544 32.500 0.001 0.000 0.716 187 K HN 0.017 nan 8.250 nan 0.000 0.444 188 R N 0.439 120.922 120.500 -0.028 0.000 2.310 188 R HA 0.151 4.491 4.340 -0.000 0.000 0.202 188 R C -0.244 176.037 176.300 -0.032 0.000 0.933 188 R CA 0.239 56.323 56.100 -0.026 0.000 1.054 188 R CB -0.032 30.251 30.300 -0.028 0.000 0.985 188 R HN 0.204 nan 8.270 nan 0.000 0.489 189 N N 0.601 119.277 118.700 -0.040 0.000 2.754 189 N HA -0.178 4.562 4.740 -0.000 0.000 0.248 189 N C -1.050 174.430 175.510 -0.050 0.000 1.093 189 N CA 0.926 53.952 53.050 -0.040 0.000 0.699 189 N CB -1.337 37.135 38.487 -0.024 0.000 1.016 189 N HN 0.257 nan 8.380 nan 0.000 0.552 190 L N 0.291 121.472 121.223 -0.072 0.000 2.317 190 L HA 0.422 4.762 4.340 -0.000 0.000 0.281 190 L C 1.047 177.854 176.870 -0.106 0.000 1.024 190 L CA -0.712 54.082 54.840 -0.076 0.000 0.810 190 L CB 1.766 43.778 42.059 -0.078 0.000 1.240 190 L HN -0.002 nan 8.230 nan 0.000 0.427 191 R N 2.129 122.579 120.500 -0.082 0.000 2.234 191 R HA 0.426 4.766 4.340 -0.000 0.000 0.324 191 R C -1.021 175.226 176.300 -0.089 0.000 1.054 191 R CA -0.508 55.541 56.100 -0.085 0.000 0.912 191 R CB 1.040 31.316 30.300 -0.040 0.000 1.030 191 R HN 0.433 nan 8.270 nan 0.000 0.455 192 V N 6.220 126.055 119.914 -0.132 0.000 2.530 192 V HA 0.105 4.225 4.120 -0.000 0.000 0.282 192 V C 0.702 176.806 176.094 0.017 0.000 1.048 192 V CA -0.065 62.188 62.300 -0.079 0.000 0.997 192 V CB 1.510 33.252 31.823 -0.135 0.000 0.987 192 V HN 0.846 nan 8.190 nan 0.000 0.477 193 K N 2.770 123.192 120.400 0.036 0.000 2.391 193 K HA 0.392 4.712 4.320 -0.000 0.000 0.197 193 K C 0.576 177.267 176.600 0.151 0.000 1.087 193 K CA 0.665 57.009 56.287 0.094 0.000 1.012 193 K CB 1.457 33.995 32.500 0.064 0.000 0.925 193 K HN 0.866 nan 8.250 nan 0.000 0.547 194 G N -0.046 108.812 108.800 0.097 0.000 2.349 194 G HA2 0.354 4.314 3.960 -0.000 0.000 0.294 194 G HA3 0.354 4.314 3.960 -0.000 0.000 0.294 194 G C -1.795 173.146 174.900 0.068 0.000 1.380 194 G CA -0.641 44.525 45.100 0.110 0.000 0.811 194 G HN -0.172 nan 8.290 nan 0.000 0.519 195 V N 0.506 120.460 119.914 0.068 0.000 2.495 195 V HA 0.657 4.777 4.120 -0.000 0.000 0.298 195 V C -0.231 175.834 176.094 -0.048 0.000 1.031 195 V CA -0.691 61.627 62.300 0.030 0.000 0.871 195 V CB 1.534 33.418 31.823 0.102 0.000 0.988 195 V HN 0.737 nan 8.190 nan 0.000 0.432 196 L N 5.364 126.509 121.223 -0.130 0.000 2.313 196 L HA 0.780 5.120 4.340 -0.000 0.000 0.283 196 L C -0.965 175.824 176.870 -0.136 0.000 1.013 196 L CA -0.308 54.416 54.840 -0.194 0.000 0.816 196 L CB 1.664 43.496 42.059 -0.379 0.000 1.236 196 L HN 0.488 nan 8.230 nan 0.000 0.419 197 V N 3.259 123.140 119.914 -0.056 0.000 2.823 197 V HA 0.492 4.611 4.120 -0.000 0.000 0.312 197 V C -0.298 175.851 176.094 0.092 0.000 1.072 197 V CA -0.380 61.930 62.300 0.017 0.000 0.937 197 V CB 2.661 34.497 31.823 0.021 0.000 1.013 197 V HN 0.753 nan 8.190 nan 0.000 0.430 198 T N 4.086 118.725 114.554 0.141 0.000 2.788 198 T HA 0.384 4.734 4.350 -0.000 0.000 0.296 198 T C -0.571 174.221 174.700 0.154 0.000 1.009 198 T CA -0.264 61.952 62.100 0.194 0.000 0.949 198 T CB 0.124 69.133 68.868 0.234 0.000 0.946 198 T HN 0.621 nan 8.240 nan 0.000 0.453 199 N N 4.830 123.645 118.700 0.192 0.000 2.549 199 N HA 0.420 5.160 4.740 -0.000 0.000 0.281 199 N C -3.046 172.660 175.510 0.326 0.000 1.084 199 N CA -1.979 51.209 53.050 0.230 0.000 0.862 199 N CB 1.699 40.314 38.487 0.214 0.000 1.333 199 N HN 0.144 nan 8.380 nan 0.000 0.523 200 P HA 0.063 nan 4.420 nan 0.000 0.270 200 P C -0.435 176.915 177.300 0.083 0.000 1.223 200 P CA -0.236 62.933 63.100 0.114 0.000 0.785 200 P CB 0.660 32.359 31.700 -0.001 0.000 0.923 201 S N 1.835 117.536 115.700 0.002 0.000 2.565 201 S HA 0.255 4.724 4.470 -0.000 0.000 0.274 201 S C -0.086 174.443 174.600 -0.118 0.000 1.309 201 S CA -0.347 57.826 58.200 -0.045 0.000 1.043 201 S CB -0.514 62.628 63.200 -0.098 0.000 0.939 201 S HN 0.411 nan 8.310 nan 0.000 0.504 202 N N 3.723 122.328 118.700 -0.158 0.000 2.399 202 N HA 0.494 5.234 4.740 -0.000 0.000 0.280 202 N C -2.276 173.013 175.510 -0.369 0.000 1.008 202 N CA -2.252 50.587 53.050 -0.351 0.000 0.894 202 N CB 2.064 40.410 38.487 -0.235 0.000 1.273 202 N HN 0.358 nan 8.380 nan 0.000 0.486 203 P HA 0.152 nan 4.420 nan 0.000 0.261 203 P C 1.148 178.099 177.300 -0.583 0.000 1.268 203 P CA 0.099 62.725 63.100 -0.790 0.000 0.833 203 P CB 0.564 31.850 31.700 -0.690 0.000 1.231 204 L N -0.328 120.523 121.223 -0.620 0.000 2.046 204 L HA -0.013 4.327 4.340 -0.000 0.000 0.208 204 L C 1.886 178.734 176.870 -0.037 0.000 1.077 204 L CA 1.765 56.299 54.840 -0.510 0.000 0.747 204 L CB -1.455 40.310 42.059 -0.491 0.000 0.896 204 L HN 0.170 nan 8.230 nan 0.000 0.432 205 G N 0.371 109.212 108.800 0.069 0.000 2.136 205 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.242 205 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.242 205 G C 0.317 175.195 174.900 -0.036 0.000 0.989 205 G CA 0.352 45.496 45.100 0.073 0.000 0.682 205 G HN 0.470 nan 8.290 nan 0.000 0.522 206 T N -1.328 113.195 114.554 -0.051 0.000 2.885 206 T HA 0.740 5.089 4.350 -0.000 0.000 0.285 206 T C 0.299 174.974 174.700 -0.043 0.000 1.019 206 T CA 0.331 62.400 62.100 -0.052 0.000 1.010 206 T CB 2.109 70.964 68.868 -0.022 0.000 1.022 206 T HN 1.110 nan 8.240 nan 0.000 0.466 207 T N 0.815 115.350 114.554 -0.032 0.000 2.904 207 T HA 0.502 4.852 4.350 -0.000 0.000 0.290 207 T C 0.303 175.014 174.700 0.019 0.000 1.018 207 T CA -0.960 61.166 62.100 0.042 0.000 1.075 207 T CB 0.599 69.509 68.868 0.071 0.000 0.986 207 T HN 0.817 nan 8.240 nan 0.000 0.523 208 M N 3.245 122.866 119.600 0.035 0.000 2.233 208 M HA 0.268 4.747 4.480 -0.000 0.000 0.350 208 M C 0.677 176.941 176.300 -0.060 0.000 1.176 208 M CA -0.407 54.886 55.300 -0.013 0.000 1.150 208 M CB 0.747 33.344 32.600 -0.005 0.000 1.530 208 M HN 1.024 nan 8.290 nan 0.000 0.459 209 T N 1.136 115.647 114.554 -0.072 0.000 2.868 209 T HA 0.234 4.584 4.350 -0.000 0.000 0.292 209 T C 0.898 175.497 174.700 -0.170 0.000 1.028 209 T CA -0.603 61.432 62.100 -0.108 0.000 1.059 209 T CB 1.010 69.825 68.868 -0.088 0.000 0.991 209 T HN 0.904 nan 8.240 nan 0.000 0.531 210 R N 1.219 121.575 120.500 -0.240 0.000 2.096 210 R HA -0.164 4.176 4.340 -0.000 0.000 0.235 210 R C 2.385 178.379 176.300 -0.510 0.000 1.127 210 R CA 1.776 57.621 56.100 -0.425 0.000 0.968 210 R CB -0.457 29.558 30.300 -0.475 0.000 0.861 210 R HN 0.893 nan 8.270 nan 0.000 0.440 211 N N 0.418 118.934 118.700 -0.307 0.000 2.069 211 N HA -0.227 4.513 4.740 -0.000 0.000 0.191 211 N C 1.259 176.711 175.510 -0.096 0.000 1.031 211 N CA 1.675 54.615 53.050 -0.183 0.000 0.852 211 N CB -0.051 38.376 38.487 -0.100 0.000 1.018 211 N HN 0.405 nan 8.380 nan 0.000 0.423 212 E N 0.640 120.786 120.200 -0.089 0.000 2.077 212 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 212 E C 2.288 178.875 176.600 -0.021 0.000 0.989 212 E CA 0.949 57.321 56.400 -0.046 0.000 0.800 212 E CB -0.064 29.608 29.700 -0.046 0.000 0.746 212 E HN 0.417 nan 8.360 nan 0.000 0.452 213 L N 0.107 121.298 121.223 -0.053 0.000 2.012 213 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 213 L C 2.526 179.488 176.870 0.153 0.000 1.073 213 L CA 1.114 55.958 54.840 0.006 0.000 0.748 213 L CB -0.558 41.465 42.059 -0.060 0.000 0.891 213 L HN 0.220 nan 8.230 nan 0.000 0.431 214 Y N 0.123 120.411 120.300 -0.020 0.000 2.181 214 Y HA -0.232 4.318 4.550 -0.000 0.000 0.288 214 Y C 2.433 178.335 175.900 0.004 0.000 1.146 214 Y CA 1.163 59.256 58.100 -0.011 0.000 1.164 214 Y CB -0.921 37.530 38.460 -0.014 0.000 0.982 214 Y HN 0.176 nan 8.280 nan 0.000 0.515 215 L N -0.735 120.592 121.223 0.173 0.000 2.131 215 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 215 L C 1.967 178.901 176.870 0.105 0.000 1.092 215 L CA 1.532 56.433 54.840 0.102 0.000 0.759 215 L CB -0.875 41.210 42.059 0.044 0.000 0.903 215 L HN 0.121 nan 8.230 nan 0.000 0.435 216 L N -1.224 120.055 121.223 0.094 0.000 2.044 216 L HA -0.142 4.198 4.340 -0.000 0.000 0.205 216 L C 2.494 179.453 176.870 0.148 0.000 1.075 216 L CA 0.863 55.770 54.840 0.111 0.000 0.747 216 L CB -0.460 41.639 42.059 0.066 0.000 0.903 216 L HN 0.343 nan 8.230 nan 0.000 0.435 217 L N -0.265 121.025 121.223 0.111 0.000 2.012 217 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 217 L C 2.868 179.768 176.870 0.050 0.000 1.073 217 L CA 2.301 57.183 54.840 0.070 0.000 0.748 217 L CB -0.730 41.367 42.059 0.063 0.000 0.891 217 L HN 0.410 nan 8.230 nan 0.000 0.431 218 S N -1.497 114.241 115.700 0.064 0.000 2.383 218 S HA -0.234 4.236 4.470 -0.000 0.000 0.227 218 S C 2.151 176.784 174.600 0.055 0.000 1.026 218 S CA 1.090 59.311 58.200 0.035 0.000 0.981 218 S CB -0.947 62.273 63.200 0.033 0.000 0.818 218 S HN 0.438 nan 8.310 nan 0.000 0.472 219 F N 1.995 121.919 119.950 -0.044 0.000 2.146 219 F HA 0.078 4.605 4.527 -0.000 0.000 0.298 219 F C 2.222 177.973 175.800 -0.082 0.000 1.096 219 F CA 1.330 59.289 58.000 -0.070 0.000 1.275 219 F CB -0.614 38.353 39.000 -0.055 0.000 1.008 219 F HN 0.106 nan 8.300 nan 0.000 0.480 220 V N 0.630 120.538 119.914 -0.010 0.000 2.427 220 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 220 V C 2.405 178.392 176.094 -0.178 0.000 1.051 220 V CA 2.283 64.514 62.300 -0.116 0.000 1.048 220 V CB -0.516 31.326 31.823 0.033 0.000 0.666 220 V HN 0.508 nan 8.190 nan 0.000 0.456 221 E N -0.498 119.631 120.200 -0.118 0.000 2.072 221 E HA -0.264 4.086 4.350 -0.000 0.000 0.191 221 E C 2.067 178.573 176.600 -0.156 0.000 0.985 221 E CA 1.432 57.766 56.400 -0.112 0.000 0.801 221 E CB -0.214 29.445 29.700 -0.069 0.000 0.750 221 E HN 0.633 nan 8.360 nan 0.000 0.452 222 D N 0.022 120.302 120.400 -0.199 0.000 2.117 222 D HA -0.149 4.491 4.640 -0.000 0.000 0.197 222 D C 1.582 177.691 176.300 -0.319 0.000 0.987 222 D CA 1.021 54.882 54.000 -0.231 0.000 0.829 222 D CB 0.218 40.879 40.800 -0.232 0.000 0.961 222 D HN -0.014 nan 8.370 nan 0.000 0.460 223 K N -0.456 119.649 120.400 -0.491 0.000 2.418 223 K HA 0.142 4.462 4.320 -0.000 0.000 0.195 223 K C 0.941 177.390 176.600 -0.251 0.000 1.035 223 K CA 0.658 56.648 56.287 -0.494 0.000 1.003 223 K CB 0.152 32.146 32.500 -0.843 0.000 0.793 223 K HN 0.214 nan 8.250 nan 0.000 0.494 224 G N 1.609 110.281 108.800 -0.214 0.000 2.198 224 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.257 224 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.257 224 G C 0.166 174.977 174.900 -0.149 0.000 1.042 224 G CA 0.653 45.664 45.100 -0.149 0.000 0.791 224 G HN 0.401 nan 8.290 nan 0.000 0.502 225 I N -4.168 116.306 120.570 -0.159 0.000 3.436 225 I HA 0.873 5.042 4.170 -0.000 0.000 0.296 225 I C 0.451 176.467 176.117 -0.169 0.000 1.143 225 I CA -1.832 59.398 61.300 -0.116 0.000 1.009 225 I CB 1.055 39.060 38.000 0.008 0.000 1.301 225 I HN -0.001 nan 8.210 nan 0.000 0.503 226 H N 0.847 119.939 119.070 0.036 0.000 2.495 226 H HA 0.631 5.187 4.556 -0.000 0.000 0.350 226 H C -0.862 174.484 175.328 0.029 0.000 1.202 226 H CA -0.503 55.581 56.048 0.060 0.000 1.322 226 H CB 1.637 31.471 29.762 0.121 0.000 1.544 226 H HN 0.377 nan 8.280 nan 0.000 0.565 227 L N 3.015 124.329 121.223 0.152 0.000 2.406 227 L HA 0.384 4.724 4.340 -0.000 0.000 0.270 227 L C -1.424 175.465 176.870 0.032 0.000 0.982 227 L CA -0.738 54.137 54.840 0.059 0.000 0.843 227 L CB 0.645 42.714 42.059 0.016 0.000 1.225 227 L HN 0.531 nan 8.230 nan 0.000 0.412 228 I N 3.308 123.857 120.570 -0.035 0.000 2.339 228 I HA 0.223 4.392 4.170 -0.000 0.000 0.290 228 I C 0.327 176.413 176.117 -0.052 0.000 0.994 228 I CA 0.142 61.365 61.300 -0.128 0.000 1.191 228 I CB 1.880 39.680 38.000 -0.334 0.000 1.343 228 I HN 0.409 nan 8.210 nan 0.000 0.458 229 S N 4.882 120.590 115.700 0.013 0.000 2.532 229 S HA 0.215 4.684 4.470 -0.000 0.000 0.318 229 S C -0.463 174.213 174.600 0.127 0.000 1.083 229 S CA -0.702 57.543 58.200 0.075 0.000 1.131 229 S CB 0.069 63.327 63.200 0.096 0.000 0.973 229 S HN 0.552 nan 8.310 nan 0.000 0.468 230 D N 4.165 124.648 120.400 0.139 0.000 2.402 230 D HA 0.083 4.723 4.640 -0.000 0.000 0.235 230 D C 0.193 176.614 176.300 0.202 0.000 1.226 230 D CA -0.026 54.086 54.000 0.188 0.000 0.918 230 D CB 0.488 41.436 40.800 0.246 0.000 1.043 230 D HN 0.659 nan 8.370 nan 0.000 0.506 231 E N 3.830 124.153 120.200 0.205 0.000 2.405 231 E HA 0.069 4.419 4.350 -0.000 0.000 0.214 231 E C 1.563 178.262 176.600 0.165 0.000 1.101 231 E CA -0.302 56.212 56.400 0.190 0.000 1.254 231 E CB 0.558 30.394 29.700 0.227 0.000 1.240 231 E HN 0.579 nan 8.360 nan 0.000 0.439 232 I N -0.091 120.545 120.570 0.110 0.000 2.423 232 I HA -0.294 3.875 4.170 -0.000 0.000 0.254 232 I C 0.788 176.766 176.117 -0.232 0.000 1.151 232 I CA 1.407 62.663 61.300 -0.073 0.000 1.421 232 I CB 0.171 37.998 38.000 -0.288 0.000 1.079 232 I HN 0.215 nan 8.210 nan 0.000 0.431 233 Y N 0.337 120.626 120.300 -0.018 0.000 2.468 233 Y HA 0.063 4.612 4.550 -0.000 0.000 0.268 233 Y C 2.499 178.253 175.900 -0.243 0.000 1.177 233 Y CA 0.447 58.494 58.100 -0.088 0.000 1.265 233 Y CB -0.261 38.152 38.460 -0.078 0.000 1.103 233 Y HN 0.236 nan 8.280 nan 0.000 0.522 234 S N -1.223 114.308 115.700 -0.282 0.000 2.420 234 S HA -0.198 4.272 4.470 -0.000 0.000 0.237 234 S C 2.158 176.426 174.600 -0.553 0.000 1.023 234 S CA 1.365 59.029 58.200 -0.892 0.000 0.991 234 S CB -0.749 61.916 63.200 -0.892 0.000 0.792 234 S HN 0.489 nan 8.310 nan 0.000 0.488 235 G N 1.097 109.784 108.800 -0.188 0.000 2.985 235 G HA2 0.160 4.120 3.960 -0.000 0.000 0.209 235 G HA3 0.160 4.120 3.960 -0.000 0.000 0.209 235 G C 1.077 176.082 174.900 0.175 0.000 1.165 235 G CA 0.651 45.744 45.100 -0.011 0.000 0.776 235 G HN 0.701 nan 8.290 nan 0.000 0.541 236 T N -2.447 112.152 114.554 0.075 0.000 3.176 236 T HA 0.570 4.920 4.350 -0.000 0.000 0.263 236 T C 0.906 175.550 174.700 -0.092 0.000 1.021 236 T CA 0.238 62.422 62.100 0.141 0.000 0.905 236 T CB 0.732 69.704 68.868 0.172 0.000 1.057 236 T HN 0.203 nan 8.240 nan 0.000 0.558 237 A N 1.891 124.546 122.820 -0.275 0.000 2.671 237 A HA 0.542 4.862 4.320 -0.000 0.000 0.306 237 A C 0.607 177.791 177.584 -0.668 0.000 1.473 237 A CA -0.844 50.913 52.037 -0.467 0.000 1.155 237 A CB -1.100 17.745 19.000 -0.260 0.000 1.123 237 A HN 0.679 nan 8.150 nan 0.000 0.545 238 F N 0.295 120.023 119.950 -0.370 0.000 2.797 238 F HA 0.436 4.963 4.527 -0.000 0.000 0.302 238 F C 0.413 176.095 175.800 -0.196 0.000 1.130 238 F CA -0.592 57.181 58.000 -0.380 0.000 1.387 238 F CB -0.271 38.637 39.000 -0.153 0.000 1.107 238 F HN 0.230 nan 8.300 nan 0.000 0.577 239 S N -0.500 115.079 115.700 -0.202 0.000 2.556 239 S HA 0.495 4.965 4.470 -0.000 0.000 0.271 239 S C -0.434 174.103 174.600 -0.105 0.000 1.135 239 S CA -0.804 57.370 58.200 -0.043 0.000 0.858 239 S CB 1.588 64.830 63.200 0.071 0.000 1.114 239 S HN 0.330 nan 8.310 nan 0.000 0.468 240 S N 2.001 117.674 115.700 -0.044 0.000 2.589 240 S HA 0.455 4.925 4.470 -0.000 0.000 0.265 240 S C -2.614 171.958 174.600 -0.048 0.000 1.342 240 S CA -0.880 57.295 58.200 -0.043 0.000 1.005 240 S CB -0.826 62.362 63.200 -0.020 0.000 0.909 240 S HN 0.454 nan 8.310 nan 0.000 0.555 241 P HA 0.212 nan 4.420 nan 0.000 0.271 241 P C -0.180 177.095 177.300 -0.043 0.000 1.244 241 P CA -0.386 62.689 63.100 -0.042 0.000 0.793 241 P CB 0.197 31.869 31.700 -0.046 0.000 0.984 242 S N -0.059 115.619 115.700 -0.036 0.000 2.579 242 S HA 0.220 4.689 4.470 -0.000 0.000 0.275 242 S C -0.125 174.475 174.600 0.000 0.000 1.345 242 S CA -0.302 57.888 58.200 -0.015 0.000 1.031 242 S CB -0.332 62.853 63.200 -0.025 0.000 0.892 242 S HN 0.379 nan 8.310 nan 0.000 0.529 243 F N 3.413 123.312 119.950 -0.085 0.000 2.456 243 F HA 0.511 5.038 4.527 -0.000 0.000 0.358 243 F C -0.574 175.194 175.800 -0.054 0.000 1.095 243 F CA -0.685 57.270 58.000 -0.075 0.000 1.216 243 F CB 0.127 39.083 39.000 -0.073 0.000 1.125 243 F HN 0.353 nan 8.300 nan 0.000 0.549 244 I N 5.852 125.891 120.570 -0.885 0.000 2.390 244 I HA 0.171 4.341 4.170 -0.000 0.000 0.283 244 I C 0.011 175.521 176.117 -1.012 0.000 1.016 244 I CA -0.633 60.206 61.300 -0.768 0.000 1.151 244 I CB 1.334 39.108 38.000 -0.377 0.000 1.293 244 I HN 0.644 nan 8.210 nan 0.000 0.458 245 S N 4.058 119.167 115.700 -0.984 0.000 2.576 245 S HA 0.111 4.581 4.470 -0.000 0.000 0.276 245 S C 1.526 176.007 174.600 -0.198 0.000 1.339 245 S CA -0.664 57.254 58.200 -0.469 0.000 1.039 245 S CB 1.215 64.362 63.200 -0.089 0.000 0.902 245 S HN 0.511 nan 8.310 nan 0.000 0.516 246 V N 3.904 123.781 119.914 -0.062 0.000 2.568 246 V HA -0.144 3.976 4.120 -0.000 0.000 0.253 246 V C 2.092 178.171 176.094 -0.024 0.000 1.072 246 V CA 1.348 63.633 62.300 -0.026 0.000 1.084 246 V CB -0.954 30.876 31.823 0.012 0.000 0.676 246 V HN 0.800 nan 8.190 nan 0.000 0.469 247 M N 0.421 120.010 119.600 -0.018 0.000 2.213 247 M HA -0.074 4.406 4.480 -0.000 0.000 0.263 247 M C 2.148 178.406 176.300 -0.069 0.000 1.062 247 M CA 1.542 56.809 55.300 -0.054 0.000 1.105 247 M CB -1.231 31.306 32.600 -0.105 0.000 1.385 247 M HN 0.565 nan 8.290 nan 0.000 0.417 248 E N -0.459 119.692 120.200 -0.081 0.000 2.047 248 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 248 E C 2.088 178.678 176.600 -0.017 0.000 0.987 248 E CA 1.109 57.466 56.400 -0.072 0.000 0.799 248 E CB -0.019 29.613 29.700 -0.113 0.000 0.752 248 E HN 0.221 nan 8.360 nan 0.000 0.449 249 V N 1.658 121.574 119.914 0.003 0.000 2.469 249 V HA -0.256 3.864 4.120 -0.000 0.000 0.251 249 V C 2.274 178.417 176.094 0.083 0.000 1.064 249 V CA 1.340 63.706 62.300 0.110 0.000 1.066 249 V CB -0.402 31.506 31.823 0.143 0.000 0.667 249 V HN 0.289 nan 8.190 nan 0.000 0.461 250 L N -0.599 120.649 121.223 0.042 0.000 2.017 250 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 250 L C 2.628 179.531 176.870 0.055 0.000 1.073 250 L CA 1.871 56.744 54.840 0.055 0.000 0.745 250 L CB -0.484 41.617 42.059 0.070 0.000 0.894 250 L HN 0.270 nan 8.230 nan 0.000 0.432 251 K N -0.071 120.352 120.400 0.039 0.000 2.032 251 K HA -0.219 4.101 4.320 -0.000 0.000 0.209 251 K C 1.674 178.280 176.600 0.011 0.000 1.048 251 K CA 1.938 58.237 56.287 0.021 0.000 0.927 251 K CB -0.017 32.479 32.500 -0.006 0.000 0.712 251 K HN 0.265 nan 8.250 nan 0.000 0.441 252 D N -0.190 120.225 120.400 0.025 0.000 2.219 252 D HA -0.111 4.529 4.640 -0.000 0.000 0.205 252 D C 1.497 177.790 176.300 -0.011 0.000 0.970 252 D CA 0.807 54.831 54.000 0.039 0.000 0.851 252 D CB 0.074 40.944 40.800 0.118 0.000 0.943 252 D HN 0.069 nan 8.370 nan 0.000 0.488 253 R N 0.707 121.171 120.500 -0.060 0.000 2.334 253 R HA 0.073 4.413 4.340 -0.000 0.000 0.220 253 R C -0.026 176.213 176.300 -0.101 0.000 0.917 253 R CA -0.116 55.877 56.100 -0.178 0.000 1.073 253 R CB -0.189 29.965 30.300 -0.243 0.000 1.056 253 R HN 0.131 nan 8.270 nan 0.000 0.506 254 N N 0.289 118.957 118.700 -0.052 0.000 2.738 254 N HA -0.163 4.577 4.740 -0.000 0.000 0.249 254 N C -1.087 174.403 175.510 -0.033 0.000 1.047 254 N CA 0.716 53.742 53.050 -0.041 0.000 0.707 254 N CB -1.461 36.994 38.487 -0.053 0.000 0.937 254 N HN 0.179 nan 8.380 nan 0.000 0.545 255 C N 1.784 121.088 119.300 0.006 0.000 2.176 255 C HA 0.228 4.688 4.460 -0.000 0.000 0.329 255 C C 0.879 175.890 174.990 0.034 0.000 1.113 255 C CA -1.009 58.035 59.018 0.045 0.000 1.562 255 C CB -0.357 27.459 27.740 0.126 0.000 2.040 255 C HN 0.415 nan 8.230 nan 0.000 0.460 256 D N 1.765 122.088 120.400 -0.129 0.000 2.478 256 D HA 0.086 4.726 4.640 -0.000 0.000 0.274 256 D C 0.993 176.843 176.300 -0.751 0.000 1.234 256 D CA -0.531 53.257 54.000 -0.353 0.000 1.069 256 D CB 0.427 41.066 40.800 -0.267 0.000 1.113 256 D HN 0.502 nan 8.370 nan 0.000 0.571 257 E N -0.643 118.902 120.200 -1.092 0.000 2.526 257 E HA -0.096 4.254 4.350 -0.000 0.000 0.198 257 E C 0.167 176.477 176.600 -0.483 0.000 1.091 257 E CA 0.139 55.761 56.400 -1.298 0.000 0.880 257 E CB -0.594 28.322 29.700 -1.306 0.000 0.873 257 E HN 0.282 nan 8.360 nan 0.000 0.527 258 N N 0.701 119.213 118.700 -0.313 0.000 2.373 258 N HA 0.015 4.755 4.740 -0.000 0.000 0.181 258 N C -0.239 175.227 175.510 -0.073 0.000 1.082 258 N CA 0.115 53.074 53.050 -0.153 0.000 0.885 258 N CB 0.455 38.863 38.487 -0.131 0.000 0.977 258 N HN -0.008 nan 8.380 nan 0.000 0.462 259 S N 0.546 116.218 115.700 -0.047 0.000 2.565 259 S HA 0.116 4.586 4.470 -0.000 0.000 0.274 259 S C 1.175 175.830 174.600 0.092 0.000 1.309 259 S CA -0.430 57.788 58.200 0.030 0.000 1.043 259 S CB 1.991 65.236 63.200 0.074 0.000 0.939 259 S HN 0.081 nan 8.310 nan 0.000 0.504 260 E N 1.580 121.813 120.200 0.055 0.000 2.107 260 E HA -0.055 4.295 4.350 -0.000 0.000 0.191 260 E C 1.794 178.437 176.600 0.071 0.000 0.982 260 E CA 0.540 56.974 56.400 0.058 0.000 0.809 260 E CB -0.338 29.368 29.700 0.010 0.000 0.756 260 E HN 0.441 nan 8.360 nan 0.000 0.459 261 V N -0.216 119.726 119.914 0.048 0.000 2.720 261 V HA -0.186 3.934 4.120 -0.000 0.000 0.256 261 V C 1.598 177.726 176.094 0.056 0.000 1.082 261 V CA 1.584 63.893 62.300 0.014 0.000 1.101 261 V CB -0.420 31.400 31.823 -0.005 0.000 0.693 261 V HN 0.559 nan 8.190 nan 0.000 0.479 262 W N 0.384 121.652 121.300 -0.052 0.000 2.387 262 W HA -0.193 4.467 4.660 -0.000 0.000 0.272 262 W C 2.178 178.677 176.519 -0.034 0.000 1.224 262 W CA 1.649 58.969 57.345 -0.042 0.000 1.210 262 W CB 0.103 29.544 29.460 -0.032 0.000 1.125 262 W HN 0.275 nan 8.180 nan 0.000 0.572 263 Q N -0.639 119.220 119.800 0.099 0.000 2.282 263 Q HA 0.126 4.466 4.340 -0.000 0.000 0.206 263 Q C 1.259 177.232 176.000 -0.046 0.000 0.878 263 Q CA 0.201 56.005 55.803 0.001 0.000 0.944 263 Q CB 0.307 29.173 28.738 0.212 0.000 1.100 263 Q HN 0.289 nan 8.270 nan 0.000 0.509 264 R N 0.209 120.628 120.500 -0.135 0.000 2.507 264 R HA 0.225 4.565 4.340 -0.000 0.000 0.298 264 R C -0.517 175.565 176.300 -0.363 0.000 0.999 264 R CA -0.002 56.030 56.100 -0.113 0.000 1.082 264 R CB 1.163 31.322 30.300 -0.235 0.000 1.246 264 R HN -0.112 nan 8.270 nan 0.000 0.553 265 V N 2.560 122.103 119.914 -0.618 0.000 2.409 265 V HA 0.303 4.422 4.120 -0.000 0.000 0.291 265 V C -0.237 175.448 176.094 -0.681 0.000 1.020 265 V CA -0.697 61.296 62.300 -0.511 0.000 0.848 265 V CB 1.420 33.076 31.823 -0.278 0.000 0.990 265 V HN 0.258 nan 8.190 nan 0.000 0.430 266 H N 3.023 122.084 119.070 -0.015 0.000 2.797 266 H HA 0.780 5.336 4.556 -0.000 0.000 0.372 266 H C -1.139 174.238 175.328 0.082 0.000 1.168 266 H CA -0.732 55.350 56.048 0.057 0.000 1.163 266 H CB 2.592 32.291 29.762 -0.104 0.000 1.778 266 H HN 0.377 nan 8.280 nan 0.000 0.551 267 V N 1.689 121.839 119.914 0.393 0.000 2.823 267 V HA 0.323 4.443 4.120 -0.000 0.000 0.312 267 V C -0.204 176.135 176.094 0.408 0.000 1.072 267 V CA -0.822 61.671 62.300 0.321 0.000 0.937 267 V CB 2.511 34.508 31.823 0.290 0.000 1.013 267 V HN 0.456 nan 8.190 nan 0.000 0.430 268 V N 3.695 123.799 119.914 0.316 0.000 2.604 268 V HA 0.645 4.765 4.120 -0.000 0.000 0.305 268 V C -1.175 175.091 176.094 0.286 0.000 1.043 268 V CA -0.501 61.993 62.300 0.323 0.000 0.888 268 V CB 1.839 33.839 31.823 0.295 0.000 0.995 268 V HN 0.803 nan 8.190 nan 0.000 0.429 269 Y N 2.650 122.995 120.300 0.074 0.000 2.689 269 Y HA 0.821 5.370 4.550 -0.000 0.000 0.333 269 Y C -0.345 175.554 175.900 -0.001 0.000 1.190 269 Y CA -0.617 57.483 58.100 0.000 0.000 1.063 269 Y CB 2.248 40.677 38.460 -0.053 0.000 1.294 269 Y HN 0.712 nan 8.280 nan 0.000 0.466 270 S N 1.538 116.618 115.700 -1.035 0.000 2.578 270 S HA 0.406 4.875 4.470 -0.000 0.000 0.272 270 S C -1.664 172.406 174.600 -0.883 0.000 1.145 270 S CA -0.606 57.169 58.200 -0.707 0.000 0.835 270 S CB 0.875 63.877 63.200 -0.331 0.000 1.104 270 S HN 0.539 nan 8.310 nan 0.000 0.458 271 L N 2.988 123.947 121.223 -0.441 0.000 2.607 271 L HA 0.399 4.739 4.340 -0.000 0.000 0.228 271 L C 2.107 178.863 176.870 -0.191 0.000 1.123 271 L CA 0.968 55.650 54.840 -0.263 0.000 0.890 271 L CB -0.599 41.397 42.059 -0.106 0.000 1.103 271 L HN 0.720 nan 8.230 nan 0.000 0.468 272 S N -0.628 114.948 115.700 -0.206 0.000 2.402 272 S HA -0.074 4.396 4.470 -0.000 0.000 0.229 272 S C 1.820 176.331 174.600 -0.148 0.000 1.021 272 S CA 0.991 59.100 58.200 -0.150 0.000 0.974 272 S CB 0.106 63.229 63.200 -0.128 0.000 0.800 272 S HN 0.324 nan 8.310 nan 0.000 0.484 273 K N 1.166 121.434 120.400 -0.221 0.000 2.244 273 K HA 0.066 4.386 4.320 -0.000 0.000 0.200 273 K C 1.593 178.142 176.600 -0.085 0.000 1.052 273 K CA 1.181 57.348 56.287 -0.201 0.000 0.980 273 K CB -0.419 31.778 32.500 -0.504 0.000 0.838 273 K HN 0.501 nan 8.250 nan 0.000 0.481 274 D N 0.433 120.803 120.400 -0.050 0.000 2.149 274 D HA -0.098 4.542 4.640 -0.000 0.000 0.206 274 D C 1.632 178.012 176.300 0.134 0.000 0.967 274 D CA 0.572 54.627 54.000 0.091 0.000 0.848 274 D CB -0.453 40.444 40.800 0.162 0.000 0.998 274 D HN -0.069 nan 8.370 nan 0.000 0.474 275 L N -0.066 121.158 121.223 0.002 0.000 2.558 275 L HA 0.372 4.711 4.340 -0.000 0.000 0.225 275 L C 1.511 178.317 176.870 -0.107 0.000 1.128 275 L CA 0.862 55.608 54.840 -0.157 0.000 0.868 275 L CB -0.557 41.332 42.059 -0.284 0.000 1.006 275 L HN 0.444 nan 8.230 nan 0.000 0.454 276 G N 0.341 109.089 108.800 -0.086 0.000 2.246 276 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.273 276 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.273 276 G C 0.357 175.265 174.900 0.014 0.000 1.055 276 G CA 0.403 45.457 45.100 -0.077 0.000 0.851 276 G HN 0.328 nan 8.290 nan 0.000 0.500 277 L N -0.097 121.057 121.223 -0.115 0.000 3.030 277 L HA 0.243 4.583 4.340 -0.000 0.000 0.252 277 L C -0.700 176.048 176.870 -0.202 0.000 1.316 277 L CA -1.514 53.146 54.840 -0.300 0.000 0.975 277 L CB 0.769 42.586 42.059 -0.403 0.000 1.357 277 L HN 0.049 nan 8.230 nan 0.000 0.534 278 P HA -0.122 nan 4.420 nan 0.000 0.218 278 P C 1.559 178.870 177.300 0.019 0.000 1.149 278 P CA 1.213 64.295 63.100 -0.029 0.000 0.817 278 P CB 0.340 32.042 31.700 0.004 0.000 0.785 279 G N -0.933 107.869 108.800 0.003 0.000 2.471 279 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.219 279 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.219 279 G C 1.072 176.164 174.900 0.320 0.000 1.125 279 G CA 0.111 45.285 45.100 0.125 0.000 0.775 279 G HN 0.111 nan 8.290 nan 0.000 0.548 280 F N 0.609 120.563 119.950 0.006 0.000 2.661 280 F HA 0.241 4.768 4.527 -0.000 0.000 0.298 280 F C 1.171 176.967 175.800 -0.008 0.000 1.137 280 F CA -0.297 57.696 58.000 -0.012 0.000 1.454 280 F CB -0.130 38.848 39.000 -0.037 0.000 1.103 280 F HN 0.052 nan 8.300 nan 0.000 0.577 281 R N 0.053 120.665 120.500 0.187 0.000 3.209 281 R HA -0.137 4.203 4.340 -0.000 0.000 0.252 281 R C -1.177 175.183 176.300 0.099 0.000 0.958 281 R CA 0.147 56.314 56.100 0.111 0.000 0.651 281 R CB -2.738 27.622 30.300 0.099 0.000 1.142 281 R HN 0.028 nan 8.270 nan 0.000 0.441 282 V N 0.388 120.356 119.914 0.089 0.000 2.293 282 V HA 0.644 4.763 4.120 -0.000 0.000 0.275 282 V C 1.143 177.254 176.094 0.028 0.000 1.021 282 V CA -0.039 62.324 62.300 0.105 0.000 0.815 282 V CB 1.781 33.708 31.823 0.172 0.000 1.025 282 V HN 0.527 nan 8.190 nan 0.000 0.448 283 G N 2.983 111.810 108.800 0.044 0.000 2.644 283 G HA2 0.925 4.885 3.960 -0.000 0.000 0.307 283 G HA3 0.925 4.885 3.960 -0.000 0.000 0.307 283 G C -0.956 173.974 174.900 0.049 0.000 1.250 283 G CA -0.350 44.753 45.100 0.004 0.000 0.996 283 G HN 1.098 nan 8.290 nan 0.000 0.489 284 A N -0.577 122.282 122.820 0.066 0.000 2.604 284 A HA 0.736 5.055 4.320 -0.000 0.000 0.295 284 A C -1.415 176.252 177.584 0.138 0.000 1.067 284 A CA -0.499 51.602 52.037 0.105 0.000 0.683 284 A CB 1.187 20.269 19.000 0.137 0.000 1.281 284 A HN 0.657 nan 8.150 nan 0.000 0.407 285 I N 1.062 121.692 120.570 0.101 0.000 2.509 285 I HA 0.456 4.626 4.170 -0.000 0.000 0.293 285 I C -1.441 174.791 176.117 0.190 0.000 1.020 285 I CA -0.598 60.757 61.300 0.091 0.000 1.088 285 I CB 2.059 39.897 38.000 -0.270 0.000 1.267 285 I HN 0.740 nan 8.210 nan 0.000 0.430 286 Y N 5.282 125.719 120.300 0.228 0.000 2.373 286 Y HA 0.593 5.143 4.550 -0.000 0.000 0.336 286 Y C -0.527 175.585 175.900 0.352 0.000 0.979 286 Y CA -0.267 57.977 58.100 0.241 0.000 1.080 286 Y CB 1.875 40.455 38.460 0.199 0.000 1.190 286 Y HN 0.497 nan 8.280 nan 0.000 0.446 287 S N 3.737 119.310 115.700 -0.212 0.000 2.541 287 S HA 0.371 4.841 4.470 -0.000 0.000 0.271 287 S C -0.416 174.123 174.600 -0.102 0.000 1.133 287 S CA -0.776 57.476 58.200 0.087 0.000 0.876 287 S CB 1.041 64.467 63.200 0.377 0.000 1.105 287 S HN 0.827 nan 8.310 nan 0.000 0.470 288 N N 1.659 120.267 118.700 -0.154 0.000 2.422 288 N HA 0.047 4.787 4.740 -0.000 0.000 0.181 288 N C -0.487 175.056 175.510 0.056 0.000 1.080 288 N CA 0.273 53.122 53.050 -0.335 0.000 0.893 288 N CB 0.017 37.732 38.487 -1.287 0.000 0.973 288 N HN 0.624 nan 8.380 nan 0.000 0.456 289 D N 1.312 121.795 120.400 0.139 0.000 2.339 289 D HA 0.057 4.697 4.640 -0.000 0.000 0.241 289 D C 0.392 176.792 176.300 0.167 0.000 1.183 289 D CA -0.261 53.864 54.000 0.208 0.000 0.859 289 D CB 0.896 41.847 40.800 0.251 0.000 1.067 289 D HN -0.120 nan 8.370 nan 0.000 0.484 290 D N 3.204 123.701 120.400 0.163 0.000 2.158 290 D HA -0.195 4.445 4.640 -0.000 0.000 0.197 290 D C 1.738 178.054 176.300 0.026 0.000 0.995 290 D CA 1.075 55.104 54.000 0.049 0.000 0.846 290 D CB 0.060 40.906 40.800 0.075 0.000 0.941 290 D HN 0.455 nan 8.370 nan 0.000 0.456 291 M N -0.312 119.327 119.600 0.064 0.000 2.117 291 M HA -0.117 4.363 4.480 -0.000 0.000 0.262 291 M C 2.012 178.326 176.300 0.024 0.000 1.065 291 M CA 0.799 56.127 55.300 0.047 0.000 1.114 291 M CB 0.033 32.674 32.600 0.069 0.000 1.361 291 M HN -0.129 nan 8.290 nan 0.000 0.408 292 V N -1.307 118.630 119.914 0.039 0.000 2.379 292 V HA -0.200 3.920 4.120 -0.000 0.000 0.245 292 V C 2.197 178.249 176.094 -0.070 0.000 1.044 292 V CA 1.399 63.696 62.300 -0.006 0.000 1.036 292 V CB -0.616 31.234 31.823 0.044 0.000 0.664 292 V HN 0.284 nan 8.190 nan 0.000 0.453 293 V N 0.513 120.389 119.914 -0.063 0.000 2.295 293 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 293 V C 2.721 178.765 176.094 -0.083 0.000 1.049 293 V CA 2.144 64.377 62.300 -0.112 0.000 1.024 293 V CB -1.195 30.514 31.823 -0.190 0.000 0.648 293 V HN 0.555 nan 8.190 nan 0.000 0.447 294 A N -0.018 122.771 122.820 -0.052 0.000 1.877 294 A HA -0.100 4.219 4.320 -0.000 0.000 0.216 294 A C 2.429 179.988 177.584 -0.043 0.000 1.186 294 A CA 2.164 54.186 52.037 -0.025 0.000 0.620 294 A CB -0.859 18.138 19.000 -0.004 0.000 0.822 294 A HN 0.571 nan 8.150 nan 0.000 0.443 295 A N -0.221 122.571 122.820 -0.047 0.000 1.902 295 A HA 0.180 4.500 4.320 -0.000 0.000 0.217 295 A C 2.492 180.023 177.584 -0.089 0.000 1.181 295 A CA 2.077 54.081 52.037 -0.055 0.000 0.623 295 A CB -0.999 17.979 19.000 -0.037 0.000 0.818 295 A HN 1.075 nan 8.150 nan 0.000 0.443 296 A N -1.199 121.547 122.820 -0.123 0.000 1.969 296 A HA -0.043 4.277 4.320 -0.000 0.000 0.218 296 A C 2.256 179.749 177.584 -0.151 0.000 1.169 296 A CA 2.153 54.089 52.037 -0.168 0.000 0.635 296 A CB -1.086 17.751 19.000 -0.273 0.000 0.810 296 A HN 0.421 nan 8.150 nan 0.000 0.445 297 T N -0.106 114.370 114.554 -0.129 0.000 2.777 297 T HA -0.094 4.256 4.350 -0.000 0.000 0.266 297 T C 1.910 176.492 174.700 -0.197 0.000 1.040 297 T CA 1.632 63.651 62.100 -0.135 0.000 1.141 297 T CB -0.137 68.665 68.868 -0.110 0.000 0.868 297 T HN 0.530 nan 8.240 nan 0.000 0.444 298 K N 0.581 120.876 120.400 -0.175 0.000 2.155 298 K HA 0.140 4.460 4.320 -0.000 0.000 0.203 298 K C 2.305 178.671 176.600 -0.391 0.000 1.052 298 K CA 0.929 57.067 56.287 -0.248 0.000 0.948 298 K CB -0.143 32.278 32.500 -0.132 0.000 0.728 298 K HN 0.337 nan 8.250 nan 0.000 0.448 299 M N 0.724 120.188 119.600 -0.226 0.000 2.319 299 M HA -0.116 4.364 4.480 -0.000 0.000 0.265 299 M C 2.261 178.464 176.300 -0.161 0.000 1.068 299 M CA 1.321 56.554 55.300 -0.112 0.000 1.118 299 M CB -0.295 32.289 32.600 -0.027 0.000 1.395 299 M HN 0.141 nan 8.290 nan 0.000 0.435 300 S N 0.298 115.854 115.700 -0.239 0.000 2.469 300 S HA -0.116 4.354 4.470 -0.000 0.000 0.238 300 S C 1.811 176.197 174.600 -0.357 0.000 0.998 300 S CA 1.363 59.440 58.200 -0.205 0.000 0.957 300 S CB -0.761 62.350 63.200 -0.149 0.000 0.764 300 S HN 0.575 nan 8.310 nan 0.000 0.514 301 S N 1.042 116.274 115.700 -0.781 0.000 2.419 301 S HA -0.033 4.436 4.470 -0.000 0.000 0.235 301 S C 1.195 175.432 174.600 -0.605 0.000 1.019 301 S CA 0.758 58.325 58.200 -1.056 0.000 0.982 301 S CB -1.011 61.105 63.200 -1.806 0.000 0.789 301 S HN 0.554 nan 8.310 nan 0.000 0.490 302 F N 2.237 122.027 119.950 -0.267 0.000 2.811 302 F HA 0.409 4.935 4.527 -0.000 0.000 0.301 302 F C 1.570 177.309 175.800 -0.101 0.000 1.151 302 F CA -0.140 57.761 58.000 -0.164 0.000 1.412 302 F CB -0.101 38.800 39.000 -0.165 0.000 1.113 302 F HN 0.417 nan 8.300 nan 0.000 0.579 303 G N 0.700 109.519 108.800 0.033 0.000 4.485 303 G HA2 0.387 4.347 3.960 -0.000 0.000 0.238 303 G HA3 0.387 4.347 3.960 -0.000 0.000 0.238 303 G C -0.920 173.991 174.900 0.019 0.000 1.216 303 G CA -0.344 44.781 45.100 0.043 0.000 0.611 303 G HN -0.114 nan 8.290 nan 0.000 0.422 304 L N 0.670 121.898 121.223 0.008 0.000 2.453 304 L HA 0.512 4.852 4.340 -0.000 0.000 0.261 304 L C 0.695 177.603 176.870 0.064 0.000 1.179 304 L CA -0.614 54.249 54.840 0.038 0.000 0.813 304 L CB 1.684 43.776 42.059 0.055 0.000 1.110 304 L HN 0.099 nan 8.230 nan 0.000 0.466 305 V N 1.492 121.459 119.914 0.089 0.000 2.546 305 V HA 0.209 4.328 4.120 -0.000 0.000 0.284 305 V C 0.619 176.742 176.094 0.049 0.000 1.050 305 V CA -0.623 61.720 62.300 0.071 0.000 0.981 305 V CB 1.360 33.242 31.823 0.098 0.000 0.990 305 V HN 0.869 nan 8.190 nan 0.000 0.474 306 S N 3.389 119.095 115.700 0.010 0.000 2.575 306 S HA -0.034 4.436 4.470 -0.000 0.000 0.295 306 S C 1.637 176.223 174.600 -0.024 0.000 1.267 306 S CA 0.156 58.355 58.200 -0.002 0.000 1.074 306 S CB 0.550 63.728 63.200 -0.036 0.000 0.829 306 S HN 1.147 nan 8.310 nan 0.000 0.497 307 S N 3.985 119.704 115.700 0.032 0.000 2.419 307 S HA -0.183 4.287 4.470 -0.000 0.000 0.233 307 S C 1.735 176.319 174.600 -0.027 0.000 1.016 307 S CA 1.163 59.375 58.200 0.020 0.000 0.974 307 S CB -0.452 62.817 63.200 0.115 0.000 0.786 307 S HN 0.887 nan 8.310 nan 0.000 0.492 308 Q N 0.983 120.788 119.800 0.007 0.000 2.079 308 Q HA -0.115 4.225 4.340 -0.000 0.000 0.200 308 Q C 1.833 177.732 176.000 -0.169 0.000 0.974 308 Q CA 1.859 57.664 55.803 0.003 0.000 0.840 308 Q CB -0.489 28.309 28.738 0.101 0.000 0.898 308 Q HN 0.642 nan 8.270 nan 0.000 0.430 309 T N 1.046 115.459 114.554 -0.235 0.000 2.777 309 T HA -0.127 4.223 4.350 -0.000 0.000 0.266 309 T C 1.737 176.159 174.700 -0.463 0.000 1.040 309 T CA 1.283 63.159 62.100 -0.372 0.000 1.141 309 T CB -0.129 68.524 68.868 -0.358 0.000 0.868 309 T HN 0.380 nan 8.240 nan 0.000 0.444 310 Q N -0.163 119.337 119.800 -0.500 0.000 2.152 310 Q HA -0.215 4.124 4.340 -0.000 0.000 0.206 310 Q C 2.197 177.844 176.000 -0.588 0.000 0.985 310 Q CA 1.780 57.054 55.803 -0.882 0.000 0.863 310 Q CB -0.230 28.232 28.738 -0.461 0.000 0.904 310 Q HN 0.626 nan 8.270 nan 0.000 0.422 311 H N 0.651 119.498 119.070 -0.372 0.000 2.326 311 H HA -0.047 4.509 4.556 -0.000 0.000 0.301 311 H C 1.893 177.099 175.328 -0.202 0.000 1.081 311 H CA 1.173 57.081 56.048 -0.233 0.000 1.334 311 H CB -0.275 29.380 29.762 -0.178 0.000 1.385 311 H HN 0.127 nan 8.280 nan 0.000 0.504 312 L N 0.271 121.296 121.223 -0.330 0.000 2.012 312 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 312 L C 2.011 178.720 176.870 -0.267 0.000 1.073 312 L CA 1.759 56.422 54.840 -0.296 0.000 0.748 312 L CB -0.513 41.398 42.059 -0.246 0.000 0.891 312 L HN 0.423 nan 8.230 nan 0.000 0.431 313 L N -0.451 120.590 121.223 -0.304 0.000 2.217 313 L HA -0.138 4.201 4.340 -0.000 0.000 0.211 313 L C 2.823 179.664 176.870 -0.048 0.000 1.107 313 L CA 1.192 55.910 54.840 -0.204 0.000 0.783 313 L CB -0.591 41.363 42.059 -0.175 0.000 0.919 313 L HN 0.411 nan 8.230 nan 0.000 0.442 314 S N 0.326 116.018 115.700 -0.013 0.000 2.406 314 S HA -0.085 4.384 4.470 -0.000 0.000 0.228 314 S C 2.141 176.730 174.600 -0.018 0.000 1.020 314 S CA 0.758 59.045 58.200 0.145 0.000 0.965 314 S CB -0.046 63.260 63.200 0.177 0.000 0.798 314 S HN 0.325 nan 8.310 nan 0.000 0.488 315 A N 2.086 124.839 122.820 -0.113 0.000 1.872 315 A HA 0.170 4.490 4.320 -0.000 0.000 0.214 315 A C 2.414 179.983 177.584 -0.026 0.000 1.187 315 A CA 1.443 53.470 52.037 -0.016 0.000 0.614 315 A CB -0.749 18.264 19.000 0.021 0.000 0.826 315 A HN 0.561 nan 8.150 nan 0.000 0.442 316 M N -0.443 118.953 119.600 -0.339 0.000 2.065 316 M HA -0.120 4.360 4.480 -0.000 0.000 0.259 316 M C 1.981 177.960 176.300 -0.535 0.000 1.071 316 M CA 1.568 56.348 55.300 -0.867 0.000 1.109 316 M CB -0.534 31.540 32.600 -0.876 0.000 1.313 316 M HN 0.359 nan 8.290 nan 0.000 0.408 317 L N -0.992 120.012 121.223 -0.365 0.000 2.456 317 L HA -0.109 4.231 4.340 -0.000 0.000 0.224 317 L C 2.132 178.916 176.870 -0.144 0.000 1.148 317 L CA 0.429 55.072 54.840 -0.329 0.000 0.825 317 L CB -0.494 41.374 42.059 -0.319 0.000 0.937 317 L HN 0.255 nan 8.230 nan 0.000 0.450 318 S N -1.265 114.392 115.700 -0.072 0.000 2.496 318 S HA -0.057 4.413 4.470 -0.000 0.000 0.224 318 S C 0.752 175.376 174.600 0.039 0.000 0.996 318 S CA 0.178 58.383 58.200 0.009 0.000 0.927 318 S CB -0.142 63.082 63.200 0.039 0.000 0.774 318 S HN 0.305 nan 8.310 nan 0.000 0.524 319 D N 2.022 122.440 120.400 0.031 0.000 2.435 319 D HA 0.109 4.749 4.640 -0.000 0.000 0.230 319 D C 0.841 177.179 176.300 0.063 0.000 1.215 319 D CA -0.072 53.989 54.000 0.102 0.000 0.947 319 D CB 0.358 41.299 40.800 0.235 0.000 1.048 319 D HN -0.089 nan 8.370 nan 0.000 0.512 320 K N 2.655 123.100 120.400 0.076 0.000 2.280 320 K HA -0.149 4.170 4.320 -0.000 0.000 0.202 320 K C 1.538 178.191 176.600 0.089 0.000 1.047 320 K CA 0.640 56.975 56.287 0.081 0.000 0.942 320 K CB 0.188 32.734 32.500 0.076 0.000 0.739 320 K HN 0.294 nan 8.250 nan 0.000 0.457 321 K N 0.820 121.279 120.400 0.098 0.000 2.057 321 K HA -0.072 4.248 4.320 -0.000 0.000 0.206 321 K C 2.048 178.716 176.600 0.114 0.000 1.050 321 K CA 0.572 56.920 56.287 0.103 0.000 0.935 321 K CB -0.184 32.386 32.500 0.115 0.000 0.715 321 K HN 0.004 nan 8.250 nan 0.000 0.439 322 L N 0.563 121.857 121.223 0.119 0.000 2.027 322 L HA -0.148 4.192 4.340 -0.000 0.000 0.206 322 L C 2.131 179.054 176.870 0.087 0.000 1.074 322 L CA 2.294 57.190 54.840 0.094 0.000 0.745 322 L CB -0.983 41.059 42.059 -0.029 0.000 0.898 322 L HN 0.402 nan 8.230 nan 0.000 0.433 323 T N -2.423 112.169 114.554 0.062 0.000 2.708 323 T HA -0.285 4.064 4.350 -0.000 0.000 0.266 323 T C 1.973 176.808 174.700 0.224 0.000 1.037 323 T CA 1.661 63.864 62.100 0.172 0.000 1.146 323 T CB -0.599 68.406 68.868 0.228 0.000 0.865 323 T HN 0.434 nan 8.240 nan 0.000 0.435 324 K N 1.502 121.990 120.400 0.147 0.000 2.032 324 K HA -0.229 4.091 4.320 -0.000 0.000 0.209 324 K C 2.447 179.096 176.600 0.083 0.000 1.048 324 K CA 1.963 58.312 56.287 0.103 0.000 0.927 324 K CB -0.360 32.188 32.500 0.080 0.000 0.712 324 K HN 0.392 nan 8.250 nan 0.000 0.441 325 N N -0.320 118.436 118.700 0.094 0.000 2.270 325 N HA -0.193 4.547 4.740 -0.000 0.000 0.181 325 N C 1.688 177.231 175.510 0.054 0.000 1.016 325 N CA 1.110 54.200 53.050 0.067 0.000 0.870 325 N CB -0.250 38.285 38.487 0.079 0.000 0.979 325 N HN 0.340 nan 8.380 nan 0.000 0.431 326 Y N 0.693 121.001 120.300 0.012 0.000 2.163 326 Y HA 0.001 4.551 4.550 -0.000 0.000 0.288 326 Y C 1.929 177.805 175.900 -0.040 0.000 1.136 326 Y CA 1.522 59.623 58.100 0.000 0.000 1.147 326 Y CB -0.246 38.221 38.460 0.012 0.000 0.987 326 Y HN 0.078 nan 8.280 nan 0.000 0.509 327 I N 0.051 120.692 120.570 0.119 0.000 2.127 327 I HA -0.366 3.804 4.170 -0.000 0.000 0.241 327 I C 2.694 178.557 176.117 -0.423 0.000 1.075 327 I CA 1.390 62.600 61.300 -0.151 0.000 1.334 327 I CB -0.850 37.069 38.000 -0.135 0.000 1.040 327 I HN 0.320 nan 8.210 nan 0.000 0.405 328 A N 0.250 122.940 122.820 -0.217 0.000 1.883 328 A HA -0.273 4.047 4.320 -0.000 0.000 0.217 328 A C 2.230 179.744 177.584 -0.117 0.000 1.186 328 A CA 2.115 54.071 52.037 -0.136 0.000 0.624 328 A CB -0.588 18.388 19.000 -0.041 0.000 0.822 328 A HN 0.390 nan 8.150 nan 0.000 0.444 329 E N 0.266 120.374 120.200 -0.153 0.000 2.106 329 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 329 E C 1.869 178.342 176.600 -0.212 0.000 0.984 329 E CA 1.452 57.754 56.400 -0.163 0.000 0.806 329 E CB -0.358 29.232 29.700 -0.183 0.000 0.750 329 E HN 0.588 nan 8.360 nan 0.000 0.458 330 N N -0.562 117.935 118.700 -0.337 0.000 2.142 330 N HA -0.125 4.615 4.740 -0.000 0.000 0.186 330 N C 1.542 177.056 175.510 0.007 0.000 1.023 330 N CA 1.548 54.435 53.050 -0.273 0.000 0.852 330 N CB -0.199 38.073 38.487 -0.358 0.000 0.998 330 N HN 0.423 nan 8.380 nan 0.000 0.424 331 H N -0.482 118.576 119.070 -0.020 0.000 2.389 331 H HA 0.006 4.561 4.556 -0.000 0.000 0.299 331 H C 1.852 177.182 175.328 0.003 0.000 1.081 331 H CA 0.777 56.869 56.048 0.074 0.000 1.345 331 H CB 0.313 30.133 29.762 0.097 0.000 1.393 331 H HN 0.179 nan 8.280 nan 0.000 0.520 332 K N 0.929 121.380 120.400 0.085 0.000 1.973 332 K HA -0.148 4.172 4.320 -0.000 0.000 0.212 332 K C 2.366 178.922 176.600 -0.073 0.000 1.047 332 K CA 1.203 57.489 56.287 -0.003 0.000 0.937 332 K CB -0.075 32.413 32.500 -0.020 0.000 0.721 332 K HN 0.115 nan 8.250 nan 0.000 0.440 333 R N 0.842 121.293 120.500 -0.081 0.000 2.105 333 R HA -0.104 4.235 4.340 -0.000 0.000 0.239 333 R C 2.318 178.533 176.300 -0.142 0.000 1.135 333 R CA 1.166 57.206 56.100 -0.101 0.000 0.967 333 R CB -0.319 29.925 30.300 -0.094 0.000 0.861 333 R HN 0.175 nan 8.270 nan 0.000 0.442 334 L N 0.202 121.337 121.223 -0.147 0.000 2.056 334 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 334 L C 2.489 178.893 176.870 -0.777 0.000 1.078 334 L CA 1.330 56.015 54.840 -0.259 0.000 0.749 334 L CB -0.325 41.693 42.059 -0.068 0.000 0.901 334 L HN 0.159 nan 8.230 nan 0.000 0.433 335 K N -0.033 119.899 120.400 -0.781 0.000 2.057 335 K HA -0.233 4.087 4.320 -0.000 0.000 0.206 335 K C 2.157 178.455 176.600 -0.504 0.000 1.050 335 K CA 1.371 57.162 56.287 -0.826 0.000 0.935 335 K CB 0.006 32.322 32.500 -0.307 0.000 0.715 335 K HN 0.211 nan 8.250 nan 0.000 0.439 336 Q N 0.017 119.619 119.800 -0.330 0.000 2.061 336 Q HA -0.204 4.136 4.340 -0.000 0.000 0.204 336 Q C 2.185 178.007 176.000 -0.296 0.000 0.984 336 Q CA 1.767 57.428 55.803 -0.237 0.000 0.846 336 Q CB -0.019 28.624 28.738 -0.158 0.000 0.902 336 Q HN 0.104 nan 8.270 nan 0.000 0.421 337 R N 0.275 120.562 120.500 -0.356 0.000 2.075 337 R HA -0.127 4.213 4.340 -0.000 0.000 0.232 337 R C 2.083 177.934 176.300 -0.748 0.000 1.126 337 R CA 1.594 57.460 56.100 -0.389 0.000 0.963 337 R CB -0.295 29.888 30.300 -0.195 0.000 0.858 337 R HN 0.300 nan 8.270 nan 0.000 0.435 338 Q N 0.419 119.534 119.800 -1.142 0.000 2.079 338 Q HA -0.169 4.171 4.340 -0.000 0.000 0.200 338 Q C 1.619 177.290 176.000 -0.548 0.000 0.974 338 Q CA 1.568 56.618 55.803 -1.254 0.000 0.840 338 Q CB 0.016 28.128 28.738 -1.043 0.000 0.898 338 Q HN 0.280 nan 8.270 nan 0.000 0.430 339 K N 0.540 120.704 120.400 -0.392 0.000 2.063 339 K HA -0.206 4.114 4.320 -0.000 0.000 0.208 339 K C 2.215 178.711 176.600 -0.173 0.000 1.048 339 K CA 1.528 57.688 56.287 -0.211 0.000 0.928 339 K CB -0.093 32.306 32.500 -0.168 0.000 0.713 339 K HN 0.087 nan 8.250 nan 0.000 0.442 340 K N 1.042 121.320 120.400 -0.202 0.000 1.991 340 K HA -0.188 4.131 4.320 -0.000 0.000 0.212 340 K C 2.159 178.692 176.600 -0.113 0.000 1.049 340 K CA 1.274 57.478 56.287 -0.138 0.000 0.932 340 K CB -0.227 32.191 32.500 -0.136 0.000 0.717 340 K HN 0.006 nan 8.250 nan 0.000 0.441 341 L N 0.817 121.953 121.223 -0.146 0.000 2.012 341 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 341 L C 1.991 178.837 176.870 -0.041 0.000 1.073 341 L CA 1.554 56.355 54.840 -0.066 0.000 0.748 341 L CB -0.530 41.515 42.059 -0.022 0.000 0.891 341 L HN 0.073 nan 8.230 nan 0.000 0.431 342 V N -0.093 119.782 119.914 -0.065 0.000 2.392 342 V HA -0.283 3.836 4.120 -0.000 0.000 0.249 342 V C 2.845 178.929 176.094 -0.017 0.000 1.059 342 V CA 1.868 64.156 62.300 -0.019 0.000 1.051 342 V CB -1.036 30.775 31.823 -0.020 0.000 0.658 342 V HN 0.792 nan 8.190 nan 0.000 0.455 343 S N 0.803 116.482 115.700 -0.036 0.000 2.371 343 S HA -0.045 4.425 4.470 -0.000 0.000 0.224 343 S C 2.125 176.714 174.600 -0.019 0.000 1.029 343 S CA 1.314 59.499 58.200 -0.026 0.000 0.978 343 S CB -0.693 62.486 63.200 -0.035 0.000 0.833 343 S HN 0.507 nan 8.310 nan 0.000 0.466 344 G N 1.438 110.223 108.800 -0.025 0.000 2.448 344 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.219 344 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.219 344 G C 1.367 176.263 174.900 -0.008 0.000 1.127 344 G CA 0.891 45.980 45.100 -0.018 0.000 0.766 344 G HN 0.445 nan 8.290 nan 0.000 0.552 345 L N 0.984 122.205 121.223 -0.004 0.000 2.109 345 L HA -0.011 4.329 4.340 -0.000 0.000 0.207 345 L C 3.104 179.979 176.870 0.008 0.000 1.086 345 L CA 2.015 56.858 54.840 0.004 0.000 0.760 345 L CB -0.710 41.356 42.059 0.013 0.000 0.910 345 L HN 0.611 nan 8.230 nan 0.000 0.437 346 Q N -1.487 118.317 119.800 0.006 0.000 2.378 346 Q HA -0.182 4.157 4.340 -0.000 0.000 0.205 346 Q C 1.738 177.743 176.000 0.009 0.000 0.954 346 Q CA 0.962 56.770 55.803 0.009 0.000 0.901 346 Q CB -0.294 28.448 28.738 0.007 0.000 0.981 346 Q HN 0.286 nan 8.270 nan 0.000 0.483 347 K N 0.331 120.733 120.400 0.003 0.000 2.504 347 K HA 0.081 4.401 4.320 -0.000 0.000 0.195 347 K C 1.122 177.725 176.600 0.005 0.000 1.036 347 K CA 0.647 56.934 56.287 0.001 0.000 0.984 347 K CB 0.248 32.745 32.500 -0.004 0.000 0.788 347 K HN 0.042 nan 8.250 nan 0.000 0.488 348 S N -1.321 114.386 115.700 0.012 0.000 2.559 348 S HA 0.169 4.638 4.470 -0.000 0.000 0.226 348 S C 0.833 175.453 174.600 0.033 0.000 1.000 348 S CA 0.439 58.650 58.200 0.018 0.000 0.948 348 S CB 0.957 64.172 63.200 0.025 0.000 0.870 348 S HN 0.541 nan 8.310 nan 0.000 0.497 349 G N 1.443 110.266 108.800 0.038 0.000 2.176 349 G HA2 -0.225 3.734 3.960 -0.000 0.000 0.253 349 G HA3 -0.225 3.734 3.960 -0.000 0.000 0.253 349 G C 0.044 175.015 174.900 0.118 0.000 0.979 349 G CA 0.114 45.257 45.100 0.071 0.000 0.641 349 G HN 0.493 nan 8.290 nan 0.000 0.530 350 I N 2.050 122.665 120.570 0.074 0.000 2.385 350 I HA 0.549 4.719 4.170 -0.000 0.000 0.294 350 I C 0.849 176.950 176.117 -0.027 0.000 0.988 350 I CA -0.054 61.255 61.300 0.015 0.000 1.265 350 I CB 1.776 39.785 38.000 0.015 0.000 1.388 350 I HN 0.331 nan 8.210 nan 0.000 0.480 351 S N 4.889 120.541 115.700 -0.081 0.000 2.689 351 S HA 0.761 5.230 4.470 -0.000 0.000 0.306 351 S C -0.655 173.945 174.600 -0.001 0.000 1.104 351 S CA -0.712 57.471 58.200 -0.029 0.000 0.973 351 S CB 1.794 64.980 63.200 -0.023 0.000 1.121 351 S HN 0.651 nan 8.310 nan 0.000 0.523 352 C N 0.979 120.333 119.300 0.090 0.000 2.719 352 C HA 0.596 5.056 4.460 -0.000 0.000 0.327 352 C C 0.069 175.236 174.990 0.295 0.000 1.238 352 C CA -1.121 58.017 59.018 0.199 0.000 1.727 352 C CB 0.959 28.823 27.740 0.205 0.000 2.256 352 C HN 0.981 nan 8.230 nan 0.000 0.489 353 L N 2.942 124.443 121.223 0.463 0.000 2.455 353 L HA 0.123 4.462 4.340 -0.000 0.000 0.272 353 L C 0.357 177.402 176.870 0.290 0.000 1.174 353 L CA 0.329 55.440 54.840 0.453 0.000 0.869 353 L CB 0.243 42.638 42.059 0.560 0.000 1.130 353 L HN 0.744 nan 8.230 nan 0.000 0.474 354 N N 3.779 122.607 118.700 0.212 0.000 2.423 354 N HA 0.083 4.823 4.740 -0.000 0.000 0.275 354 N C -0.280 175.307 175.510 0.128 0.000 1.283 354 N CA 0.295 53.434 53.050 0.148 0.000 0.932 354 N CB 0.702 39.254 38.487 0.108 0.000 1.185 354 N HN 0.793 nan 8.380 nan 0.000 0.483 355 G N 2.004 110.884 108.800 0.134 0.000 2.511 355 G HA2 0.275 4.235 3.960 -0.000 0.000 0.318 355 G HA3 0.275 4.235 3.960 -0.000 0.000 0.318 355 G C 0.418 175.327 174.900 0.014 0.000 1.210 355 G CA -0.599 44.550 45.100 0.082 0.000 0.969 355 G HN 0.685 nan 8.290 nan 0.000 0.484 356 N N -1.220 117.367 118.700 -0.187 0.000 2.143 356 N HA 0.405 5.144 4.740 -0.000 0.000 0.229 356 N C -0.002 174.785 175.510 -1.204 0.000 1.294 356 N CA 0.305 53.041 53.050 -0.524 0.000 0.883 356 N CB 1.176 39.483 38.487 -0.300 0.000 1.148 356 N HN 0.736 nan 8.380 nan 0.000 0.511 357 A N -0.683 121.649 122.820 -0.813 0.000 2.593 357 A HA 0.900 5.220 4.320 -0.000 0.000 0.290 357 A C 0.314 177.685 177.584 -0.355 0.000 1.126 357 A CA -0.210 51.418 52.037 -0.683 0.000 0.695 357 A CB 0.988 19.765 19.000 -0.371 0.000 1.290 357 A HN 0.871 nan 8.150 nan 0.000 0.414 358 G N -1.594 107.031 108.800 -0.292 0.000 2.610 358 G HA2 0.156 4.116 3.960 -0.000 0.000 0.304 358 G HA3 0.156 4.116 3.960 -0.000 0.000 0.304 358 G C -0.288 174.274 174.900 -0.564 0.000 1.309 358 G CA -0.143 44.547 45.100 -0.684 0.000 0.906 358 G HN 1.531 nan 8.290 nan 0.000 0.521 359 L N 0.017 120.429 121.223 -1.351 0.000 3.267 359 L HA 0.553 4.892 4.340 -0.000 0.000 0.289 359 L C -0.068 175.897 176.870 -1.509 0.000 1.260 359 L CA -0.192 53.959 54.840 -1.149 0.000 1.034 359 L CB -0.266 41.481 42.059 -0.519 0.000 1.413 359 L HN 0.596 nan 8.230 nan 0.000 0.594 360 F N -2.982 116.636 119.950 -0.552 0.000 2.741 360 F HA 0.675 5.202 4.527 -0.000 0.000 0.313 360 F C -0.707 175.239 175.800 0.244 0.000 1.153 360 F CA -1.840 56.043 58.000 -0.195 0.000 0.931 360 F CB 0.565 39.499 39.000 -0.110 0.000 1.335 360 F HN -0.357 nan 8.300 nan 0.000 0.460 361 C N 1.055 120.696 119.300 0.569 0.000 2.507 361 C HA 0.400 4.860 4.460 -0.000 0.000 0.319 361 C C -0.885 174.410 174.990 0.510 0.000 1.208 361 C CA -0.544 58.775 59.018 0.503 0.000 1.619 361 C CB 1.725 29.702 27.740 0.394 0.000 2.230 361 C HN 0.931 nan 8.230 nan 0.000 0.492 362 W N 4.548 125.993 121.300 0.241 0.000 2.367 362 W HA 0.529 5.189 4.660 -0.000 0.000 0.329 362 W C -0.263 176.472 176.519 0.359 0.000 1.066 362 W CA -0.312 57.160 57.345 0.213 0.000 1.435 362 W CB 0.989 30.487 29.460 0.063 0.000 1.296 362 W HN 0.644 nan 8.180 nan 0.000 0.401 363 V N 5.485 125.491 119.914 0.155 0.000 2.481 363 V HA 0.294 4.413 4.120 -0.000 0.000 0.286 363 V C -0.361 175.646 176.094 -0.145 0.000 1.042 363 V CA -0.393 61.949 62.300 0.071 0.000 0.928 363 V CB 1.708 33.562 31.823 0.052 0.000 0.986 363 V HN 0.457 nan 8.190 nan 0.000 0.462 364 D N 5.172 125.360 120.400 -0.354 0.000 2.339 364 D HA 0.398 5.038 4.640 -0.000 0.000 0.241 364 D C 0.069 176.014 176.300 -0.592 0.000 1.183 364 D CA -0.037 53.412 54.000 -0.918 0.000 0.859 364 D CB 1.107 41.320 40.800 -0.978 0.000 1.067 364 D HN 0.731 nan 8.370 nan 0.000 0.484 365 M N 3.315 122.635 119.600 -0.467 0.000 2.705 365 M HA 0.211 4.691 4.480 -0.000 0.000 0.387 365 M C 1.494 177.743 176.300 -0.084 0.000 1.204 365 M CA -0.345 54.843 55.300 -0.186 0.000 0.905 365 M CB 0.848 33.421 32.600 -0.045 0.000 1.394 365 M HN 0.179 nan 8.290 nan 0.000 0.515 366 R N 0.317 120.629 120.500 -0.314 0.000 2.081 366 R HA -0.163 4.177 4.340 -0.000 0.000 0.235 366 R C 2.074 178.387 176.300 0.021 0.000 1.131 366 R CA 1.877 57.871 56.100 -0.177 0.000 0.960 366 R CB -0.429 29.703 30.300 -0.280 0.000 0.856 366 R HN 0.554 nan 8.270 nan 0.000 0.436 367 H N -0.238 118.757 119.070 -0.125 0.000 2.518 367 H HA -0.068 4.488 4.556 -0.000 0.000 0.292 367 H C 1.352 176.645 175.328 -0.060 0.000 1.068 367 H CA 0.878 56.876 56.048 -0.083 0.000 1.275 367 H CB -0.289 29.424 29.762 -0.082 0.000 1.375 367 H HN 0.100 nan 8.280 nan 0.000 0.563 368 L N 0.398 121.774 121.223 0.254 0.000 2.509 368 L HA 0.201 4.541 4.340 -0.000 0.000 0.222 368 L C 0.760 177.660 176.870 0.050 0.000 1.123 368 L CA 0.102 54.959 54.840 0.028 0.000 0.856 368 L CB -0.396 41.705 42.059 0.070 0.000 0.985 368 L HN 0.200 nan 8.230 nan 0.000 0.456 369 L N 0.120 121.385 121.223 0.070 0.000 2.410 369 L HA 0.055 4.395 4.340 -0.000 0.000 0.273 369 L C 1.628 178.514 176.870 0.027 0.000 1.144 369 L CA -0.030 54.844 54.840 0.057 0.000 0.863 369 L CB 0.466 42.546 42.059 0.035 0.000 1.140 369 L HN 0.172 nan 8.230 nan 0.000 0.463 370 R N 1.201 121.720 120.500 0.032 0.000 2.241 370 R HA 0.003 4.342 4.340 -0.000 0.000 0.224 370 R C -0.157 176.149 176.300 0.010 0.000 1.101 370 R CA 0.498 56.607 56.100 0.016 0.000 0.995 370 R CB 0.086 30.401 30.300 0.024 0.000 0.870 370 R HN 0.618 nan 8.270 nan 0.000 0.463 371 S N -0.479 115.228 115.700 0.011 0.000 2.537 371 S HA 0.074 4.544 4.470 -0.000 0.000 0.271 371 S C -0.912 173.674 174.600 -0.024 0.000 1.148 371 S CA -0.931 57.267 58.200 -0.002 0.000 0.868 371 S CB 1.839 65.043 63.200 0.006 0.000 1.115 371 S HN 0.054 nan 8.310 nan 0.000 0.461 372 N N 2.743 121.418 118.700 -0.042 0.000 3.243 372 N HA 0.203 4.942 4.740 -0.000 0.000 0.310 372 N C -0.273 175.157 175.510 -0.133 0.000 1.313 372 N CA 0.073 53.073 53.050 -0.083 0.000 1.204 372 N CB -0.384 38.062 38.487 -0.069 0.000 1.483 372 N HN 0.744 nan 8.380 nan 0.000 0.553 373 T N -3.646 110.830 114.554 -0.130 0.000 2.901 373 T HA 0.369 4.719 4.350 -0.000 0.000 0.293 373 T C 0.750 175.351 174.700 -0.165 0.000 1.084 373 T CA -0.668 61.347 62.100 -0.142 0.000 1.008 373 T CB 0.352 69.213 68.868 -0.011 0.000 1.170 373 T HN -0.053 nan 8.240 nan 0.000 0.509 374 F N 0.481 120.455 119.950 0.041 0.000 2.456 374 F HA 0.186 4.713 4.527 -0.000 0.000 0.298 374 F C 2.316 178.157 175.800 0.068 0.000 1.104 374 F CA 0.528 58.553 58.000 0.042 0.000 1.435 374 F CB -0.503 38.517 39.000 0.032 0.000 1.078 374 F HN 0.673 nan 8.300 nan 0.000 0.546 375 E N 0.126 120.452 120.200 0.210 0.000 2.152 375 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 375 E C 2.377 179.068 176.600 0.151 0.000 0.983 375 E CA 1.019 57.518 56.400 0.165 0.000 0.818 375 E CB -0.297 29.474 29.700 0.118 0.000 0.758 375 E HN 0.323 nan 8.360 nan 0.000 0.467 376 A N 1.327 124.215 122.820 0.114 0.000 1.898 376 A HA -0.236 4.084 4.320 -0.000 0.000 0.216 376 A C 2.138 179.816 177.584 0.158 0.000 1.181 376 A CA 1.551 53.650 52.037 0.104 0.000 0.620 376 A CB -0.417 18.614 19.000 0.052 0.000 0.819 376 A HN 0.277 nan 8.150 nan 0.000 0.442 377 E N -0.808 119.488 120.200 0.160 0.000 2.110 377 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 377 E C 1.848 178.657 176.600 0.348 0.000 0.988 377 E CA 1.355 57.891 56.400 0.226 0.000 0.804 377 E CB -0.156 29.617 29.700 0.121 0.000 0.745 377 E HN 0.448 nan 8.360 nan 0.000 0.458 378 M N 0.762 120.556 119.600 0.323 0.000 2.229 378 M HA -0.078 4.401 4.480 -0.000 0.000 0.264 378 M C 2.042 178.567 176.300 0.375 0.000 1.063 378 M CA 1.112 56.660 55.300 0.414 0.000 1.114 378 M CB -0.731 32.065 32.600 0.326 0.000 1.387 378 M HN 0.169 nan 8.290 nan 0.000 0.420 379 E N 0.628 120.989 120.200 0.268 0.000 2.017 379 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 379 E C 2.154 178.887 176.600 0.222 0.000 0.997 379 E CA 0.998 57.520 56.400 0.204 0.000 0.804 379 E CB -0.296 29.495 29.700 0.151 0.000 0.757 379 E HN 0.421 nan 8.360 nan 0.000 0.448 380 L N -0.015 121.363 121.223 0.259 0.000 2.012 380 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 380 L C 2.406 179.420 176.870 0.240 0.000 1.073 380 L CA 1.744 56.731 54.840 0.244 0.000 0.748 380 L CB -0.459 41.767 42.059 0.280 0.000 0.891 380 L HN 0.350 nan 8.230 nan 0.000 0.431 381 W N 1.278 122.702 121.300 0.206 0.000 2.342 381 W HA -0.236 4.423 4.660 -0.000 0.000 0.297 381 W C 2.511 179.062 176.519 0.054 0.000 1.213 381 W CA 1.649 59.105 57.345 0.185 0.000 1.251 381 W CB -0.151 29.511 29.460 0.337 0.000 1.136 381 W HN 0.017 nan 8.180 nan 0.000 0.526 382 K N -0.123 120.271 120.400 -0.010 0.000 2.103 382 K HA -0.131 4.189 4.320 -0.000 0.000 0.204 382 K C 2.025 178.580 176.600 -0.075 0.000 1.052 382 K CA 1.349 57.558 56.287 -0.130 0.000 0.945 382 K CB -0.384 32.191 32.500 0.125 0.000 0.722 382 K HN 0.121 nan 8.250 nan 0.000 0.443 383 K N 1.017 121.409 120.400 -0.015 0.000 2.097 383 K HA -0.055 4.265 4.320 -0.000 0.000 0.206 383 K C 2.081 178.486 176.600 -0.325 0.000 1.049 383 K CA 1.048 57.313 56.287 -0.036 0.000 0.933 383 K CB -0.054 32.535 32.500 0.148 0.000 0.717 383 K HN 0.097 nan 8.250 nan 0.000 0.442 384 I N 0.230 120.558 120.570 -0.404 0.000 2.394 384 I HA -0.230 3.939 4.170 -0.000 0.000 0.251 384 I C 2.036 177.850 176.117 -0.505 0.000 1.136 384 I CA 0.806 61.778 61.300 -0.546 0.000 1.425 384 I CB -0.063 37.688 38.000 -0.415 0.000 1.079 384 I HN -0.036 nan 8.210 nan 0.000 0.425 385 V N -0.020 119.547 119.914 -0.580 0.000 2.302 385 V HA -0.253 3.867 4.120 -0.000 0.000 0.243 385 V C 2.137 177.798 176.094 -0.723 0.000 1.036 385 V CA 1.837 63.709 62.300 -0.714 0.000 1.020 385 V CB -0.593 30.579 31.823 -1.085 0.000 0.657 385 V HN 0.271 nan 8.190 nan 0.000 0.453 386 Y N 0.426 120.493 120.300 -0.389 0.000 2.314 386 Y HA 0.006 4.556 4.550 -0.000 0.000 0.294 386 Y C 2.473 178.032 175.900 -0.568 0.000 1.119 386 Y CA 1.045 58.918 58.100 -0.379 0.000 1.179 386 Y CB -0.104 38.224 38.460 -0.221 0.000 1.025 386 Y HN 0.322 nan 8.280 nan 0.000 0.541 387 E N -0.881 119.119 120.200 -0.333 0.000 2.132 387 E HA -0.017 4.332 4.350 -0.000 0.000 0.193 387 E C 1.926 178.305 176.600 -0.368 0.000 0.951 387 E CA 0.929 57.160 56.400 -0.282 0.000 0.843 387 E CB 0.007 29.690 29.700 -0.028 0.000 0.807 387 E HN 0.137 nan 8.360 nan 0.000 0.467 388 V N 0.230 119.858 119.914 -0.476 0.000 3.235 388 V HA -0.050 4.069 4.120 -0.000 0.000 0.259 388 V C -0.272 175.723 176.094 -0.165 0.000 1.133 388 V CA 0.746 62.845 62.300 -0.335 0.000 1.128 388 V CB -0.902 30.603 31.823 -0.531 0.000 0.757 388 V HN 0.404 nan 8.190 nan 0.000 0.469 389 H N -0.933 118.024 119.070 -0.189 0.000 2.819 389 H HA -0.125 4.430 4.556 -0.000 0.000 0.323 389 H C -0.419 174.817 175.328 -0.154 0.000 1.243 389 H CA 0.205 56.167 56.048 -0.143 0.000 1.163 389 H CB -1.569 28.158 29.762 -0.059 0.000 1.493 389 H HN 0.335 nan 8.280 nan 0.000 0.434 390 L N 0.529 121.662 121.223 -0.151 0.000 2.381 390 L HA 0.399 4.739 4.340 -0.000 0.000 0.268 390 L C 0.291 177.067 176.870 -0.157 0.000 0.997 390 L CA -0.950 53.805 54.840 -0.142 0.000 0.818 390 L CB 1.868 43.831 42.059 -0.160 0.000 1.310 390 L HN 0.201 nan 8.230 nan 0.000 0.416 391 N N 2.669 121.282 118.700 -0.144 0.000 2.437 391 N HA 0.622 5.361 4.740 -0.000 0.000 0.259 391 N C -1.295 174.197 175.510 -0.031 0.000 0.983 391 N CA -0.108 52.871 53.050 -0.119 0.000 0.937 391 N CB 0.963 39.290 38.487 -0.267 0.000 1.122 391 N HN 0.440 nan 8.380 nan 0.000 0.499 392 I N 0.859 121.525 120.570 0.161 0.000 3.042 392 I HA 0.447 4.617 4.170 -0.000 0.000 0.310 392 I C -0.590 175.703 176.117 0.294 0.000 1.117 392 I CA -0.596 60.821 61.300 0.194 0.000 1.003 392 I CB 2.226 40.322 38.000 0.160 0.000 1.228 392 I HN 0.462 nan 8.210 nan 0.000 0.443 393 S N 5.539 121.313 115.700 0.124 0.000 2.429 393 S HA 0.533 5.003 4.470 -0.000 0.000 0.302 393 S C -2.647 171.774 174.600 -0.297 0.000 1.115 393 S CA -1.259 56.870 58.200 -0.118 0.000 1.095 393 S CB 0.953 64.072 63.200 -0.135 0.000 0.987 393 S HN 0.321 nan 8.310 nan 0.000 0.474 394 P HA 0.157 nan 4.420 nan 0.000 0.276 394 P C 1.077 177.923 177.300 -0.756 0.000 1.230 394 P CA -0.146 62.361 63.100 -0.988 0.000 0.776 394 P CB 0.593 31.635 31.700 -1.098 0.000 0.888 395 G N 2.968 111.333 108.800 -0.725 0.000 2.475 395 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.220 395 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.220 395 G C 1.459 176.215 174.900 -0.240 0.000 1.125 395 G CA 1.038 45.961 45.100 -0.294 0.000 0.755 395 G HN 0.595 nan 8.290 nan 0.000 0.565 396 S N 0.339 115.843 115.700 -0.326 0.000 2.474 396 S HA -0.022 4.448 4.470 -0.000 0.000 0.235 396 S C 2.320 176.488 174.600 -0.720 0.000 0.997 396 S CA 1.339 59.292 58.200 -0.412 0.000 0.949 396 S CB -0.124 62.856 63.200 -0.366 0.000 0.766 396 S HN 0.229 nan 8.310 nan 0.000 0.517 397 S N 0.932 116.029 115.700 -1.004 0.000 2.402 397 S HA -0.038 4.432 4.470 -0.000 0.000 0.229 397 S C 1.457 175.508 174.600 -0.914 0.000 1.021 397 S CA 1.122 58.557 58.200 -1.274 0.000 0.974 397 S CB -0.511 61.968 63.200 -1.202 0.000 0.800 397 S HN 0.743 nan 8.310 nan 0.000 0.484 398 C N 1.423 120.327 119.300 -0.659 0.000 2.559 398 C HA 0.299 4.759 4.460 -0.000 0.000 0.300 398 C C 0.296 174.983 174.990 -0.504 0.000 1.288 398 C CA -0.685 58.015 59.018 -0.529 0.000 1.699 398 C CB -1.859 25.679 27.740 -0.337 0.000 1.819 398 C HN 0.636 nan 8.230 nan 0.000 0.600 399 H N -2.325 116.487 119.070 -0.429 0.000 2.862 399 H HA -0.210 4.346 4.556 -0.000 0.000 0.290 399 H C 0.658 175.893 175.328 -0.156 0.000 1.211 399 H CA 0.906 56.757 56.048 -0.330 0.000 1.140 399 H CB -1.869 27.628 29.762 -0.442 0.000 1.341 399 H HN 0.620 nan 8.280 nan 0.000 0.392 400 C N 2.507 121.794 119.300 -0.021 0.000 2.653 400 C HA 0.152 4.612 4.460 -0.000 0.000 0.421 400 C C 2.441 177.577 174.990 0.243 0.000 1.334 400 C CA 0.695 59.799 59.018 0.144 0.000 1.885 400 C CB 0.122 28.020 27.740 0.263 0.000 2.645 400 C HN 0.720 nan 8.230 nan 0.000 0.601 401 T N 1.250 115.939 114.554 0.226 0.000 3.055 401 T HA 0.040 4.390 4.350 -0.000 0.000 0.265 401 T C 0.245 175.124 174.700 0.299 0.000 1.111 401 T CA 0.635 62.850 62.100 0.192 0.000 1.118 401 T CB -0.207 68.629 68.868 -0.054 0.000 0.909 401 T HN 0.903 nan 8.240 nan 0.000 0.501 402 E N 1.973 122.349 120.200 0.294 0.000 2.176 402 E HA 0.518 4.868 4.350 -0.000 0.000 0.267 402 E C -3.196 173.473 176.600 0.115 0.000 0.893 402 E CA -3.151 53.341 56.400 0.152 0.000 0.761 402 E CB 1.596 31.447 29.700 0.252 0.000 1.133 402 E HN 0.114 nan 8.360 nan 0.000 0.409 403 P HA 0.142 nan 4.420 nan 0.000 0.272 403 P C 0.709 177.945 177.300 -0.106 0.000 1.223 403 P CA 0.417 63.293 63.100 -0.373 0.000 0.784 403 P CB 0.768 32.030 31.700 -0.730 0.000 0.923 404 G N -0.893 107.834 108.800 -0.121 0.000 2.201 404 G HA2 -0.168 3.791 3.960 -0.000 0.000 0.212 404 G HA3 -0.168 3.791 3.960 -0.000 0.000 0.212 404 G C -0.650 174.086 174.900 -0.273 0.000 0.994 404 G CA -0.725 44.298 45.100 -0.128 0.000 0.644 404 G HN 0.372 nan 8.290 nan 0.000 0.508 405 W N -0.032 121.023 121.300 -0.409 0.000 2.449 405 W HA 0.800 5.460 4.660 -0.000 0.000 0.331 405 W C -0.019 175.890 176.519 -1.016 0.000 1.119 405 W CA -0.644 56.288 57.345 -0.687 0.000 1.240 405 W CB 0.731 29.614 29.460 -0.961 0.000 1.251 405 W HN -0.000 nan 8.180 nan 0.000 0.576 406 F N 0.960 120.569 119.950 -0.569 0.000 2.613 406 F HA 0.499 5.025 4.527 -0.000 0.000 0.314 406 F C -0.109 175.528 175.800 -0.272 0.000 1.075 406 F CA -1.561 56.215 58.000 -0.373 0.000 0.945 406 F CB 1.913 40.805 39.000 -0.181 0.000 1.310 406 F HN 0.093 nan 8.300 nan 0.000 0.467 407 R N 1.811 122.390 120.500 0.131 0.000 2.445 407 R HA 0.785 5.125 4.340 -0.000 0.000 0.308 407 R C -1.877 174.531 176.300 0.180 0.000 0.961 407 R CA -0.654 55.589 56.100 0.240 0.000 0.862 407 R CB 1.799 32.217 30.300 0.196 0.000 1.144 407 R HN 0.653 nan 8.270 nan 0.000 0.447 408 V N 3.292 123.337 119.914 0.218 0.000 2.638 408 V HA 0.542 4.661 4.120 -0.000 0.000 0.306 408 V C -0.613 175.606 176.094 0.209 0.000 1.052 408 V CA -0.778 61.624 62.300 0.169 0.000 0.885 408 V CB 1.499 33.401 31.823 0.131 0.000 0.999 408 V HN 0.871 nan 8.190 nan 0.000 0.424 409 C N 5.285 124.657 119.300 0.122 0.000 2.382 409 C HA 0.734 5.194 4.460 -0.000 0.000 0.363 409 C C 0.807 175.810 174.990 0.022 0.000 1.213 409 C CA -0.093 58.934 59.018 0.016 0.000 2.363 409 C CB 0.732 28.479 27.740 0.012 0.000 2.397 409 C HN 1.097 nan 8.230 nan 0.000 0.573 410 F N -1.761 118.218 119.950 0.047 0.000 2.925 410 F HA 0.453 4.980 4.527 -0.000 0.000 0.355 410 F C 1.263 177.049 175.800 -0.023 0.000 1.073 410 F CA 0.183 58.181 58.000 -0.003 0.000 1.127 410 F CB -0.910 38.077 39.000 -0.022 0.000 1.123 410 F HN 0.394 nan 8.300 nan 0.000 0.551 411 A N 1.382 124.113 122.820 -0.148 0.000 2.251 411 A HA 0.153 4.473 4.320 -0.000 0.000 0.209 411 A C 1.107 178.688 177.584 -0.004 0.000 1.187 411 A CA 0.838 52.861 52.037 -0.024 0.000 0.823 411 A CB -0.795 18.112 19.000 -0.156 0.000 0.846 411 A HN 0.480 nan 8.150 nan 0.000 0.486 412 N N -0.271 118.432 118.700 0.005 0.000 2.433 412 N HA 0.240 4.980 4.740 -0.000 0.000 0.270 412 N C -0.860 174.676 175.510 0.043 0.000 1.354 412 N CA -0.047 53.022 53.050 0.032 0.000 0.889 412 N CB 0.074 38.582 38.487 0.035 0.000 1.285 412 N HN 0.235 nan 8.380 nan 0.000 0.503 413 L N 0.818 122.069 121.223 0.047 0.000 2.410 413 L HA 0.558 4.898 4.340 -0.000 0.000 0.270 413 L C -2.560 174.338 176.870 0.048 0.000 0.983 413 L CA -1.750 53.115 54.840 0.042 0.000 0.822 413 L CB 2.905 44.977 42.059 0.020 0.000 1.285 413 L HN -0.151 nan 8.230 nan 0.000 0.409 414 P HA 0.095 nan 4.420 nan 0.000 0.269 414 P C 0.295 177.611 177.300 0.027 0.000 1.209 414 P CA -0.158 62.970 63.100 0.048 0.000 0.776 414 P CB 0.706 32.445 31.700 0.064 0.000 0.876 415 E N 1.948 122.158 120.200 0.017 0.000 2.130 415 E HA -0.274 4.076 4.350 -0.000 0.000 0.196 415 E C 1.735 178.332 176.600 -0.004 0.000 0.998 415 E CA 1.331 57.732 56.400 0.001 0.000 0.806 415 E CB -0.254 29.442 29.700 -0.007 0.000 0.738 415 E HN 0.471 nan 8.360 nan 0.000 0.459 416 R N 0.498 121.002 120.500 0.007 0.000 2.091 416 R HA -0.094 4.246 4.340 -0.000 0.000 0.238 416 R C 2.367 178.662 176.300 -0.009 0.000 1.136 416 R CA 1.743 57.847 56.100 0.007 0.000 0.959 416 R CB -0.856 29.460 30.300 0.027 0.000 0.856 416 R HN 0.066 nan 8.270 nan 0.000 0.437 417 T N 1.995 116.541 114.554 -0.013 0.000 2.777 417 T HA -0.043 4.306 4.350 -0.000 0.000 0.266 417 T C 1.906 176.540 174.700 -0.110 0.000 1.040 417 T CA 0.821 62.867 62.100 -0.091 0.000 1.141 417 T CB -0.183 68.634 68.868 -0.084 0.000 0.868 417 T HN 0.124 nan 8.240 nan 0.000 0.444 418 L N 0.961 122.151 121.223 -0.055 0.000 2.013 418 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 418 L C 2.345 179.185 176.870 -0.050 0.000 1.073 418 L CA 1.605 56.420 54.840 -0.042 0.000 0.753 418 L CB -0.396 41.657 42.059 -0.010 0.000 0.890 418 L HN 0.192 nan 8.230 nan 0.000 0.432 419 D N -0.345 120.030 120.400 -0.041 0.000 2.104 419 D HA -0.242 4.397 4.640 -0.000 0.000 0.194 419 D C 2.198 178.471 176.300 -0.046 0.000 0.994 419 D CA 1.097 55.075 54.000 -0.036 0.000 0.830 419 D CB -0.279 40.506 40.800 -0.024 0.000 0.959 419 D HN 0.287 nan 8.370 nan 0.000 0.452 420 L N 0.690 121.874 121.223 -0.064 0.000 1.990 420 L HA -0.256 4.084 4.340 -0.000 0.000 0.213 420 L C 2.300 179.114 176.870 -0.093 0.000 1.072 420 L CA 1.754 56.547 54.840 -0.080 0.000 0.755 420 L CB -0.438 41.541 42.059 -0.133 0.000 0.889 420 L HN -0.018 nan 8.230 nan 0.000 0.432 421 A N -0.545 122.200 122.820 -0.125 0.000 1.908 421 A HA -0.273 4.047 4.320 -0.000 0.000 0.218 421 A C 2.140 179.683 177.584 -0.068 0.000 1.181 421 A CA 1.960 53.930 52.037 -0.112 0.000 0.627 421 A CB -0.440 18.490 19.000 -0.116 0.000 0.818 421 A HN 0.451 nan 8.150 nan 0.000 0.445 422 M N -0.593 118.977 119.600 -0.050 0.000 2.159 422 M HA -0.156 4.324 4.480 -0.000 0.000 0.263 422 M C 2.220 178.509 176.300 -0.018 0.000 1.063 422 M CA 1.419 56.701 55.300 -0.030 0.000 1.110 422 M CB -1.473 31.112 32.600 -0.025 0.000 1.374 422 M HN 0.549 nan 8.290 nan 0.000 0.411 423 Q N -0.283 119.505 119.800 -0.020 0.000 2.016 423 Q HA -0.123 4.216 4.340 -0.000 0.000 0.200 423 Q C 2.189 178.193 176.000 0.007 0.000 0.978 423 Q CA 1.196 56.996 55.803 -0.006 0.000 0.833 423 Q CB -0.112 28.621 28.738 -0.007 0.000 0.895 423 Q HN 0.495 nan 8.270 nan 0.000 0.427 424 R N 0.246 120.744 120.500 -0.003 0.000 2.105 424 R HA -0.161 4.179 4.340 -0.000 0.000 0.239 424 R C 2.243 178.563 176.300 0.033 0.000 1.135 424 R CA 0.925 57.033 56.100 0.014 0.000 0.967 424 R CB -0.611 29.682 30.300 -0.011 0.000 0.861 424 R HN 0.190 nan 8.270 nan 0.000 0.442 425 L N 1.815 123.041 121.223 0.005 0.000 2.017 425 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 425 L C 2.457 179.384 176.870 0.094 0.000 1.073 425 L CA 1.788 56.646 54.840 0.030 0.000 0.745 425 L CB -0.576 41.476 42.059 -0.012 0.000 0.894 425 L HN 0.049 nan 8.230 nan 0.000 0.432 426 K N -1.005 119.425 120.400 0.049 0.000 2.032 426 K HA -0.210 4.110 4.320 -0.000 0.000 0.209 426 K C 1.961 178.588 176.600 0.045 0.000 1.048 426 K CA 1.475 57.785 56.287 0.038 0.000 0.927 426 K CB -0.193 32.317 32.500 0.016 0.000 0.712 426 K HN 0.417 nan 8.250 nan 0.000 0.441 427 A N 0.635 123.490 122.820 0.059 0.000 1.902 427 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 427 A C 1.980 179.610 177.584 0.077 0.000 1.181 427 A CA 1.393 53.463 52.037 0.055 0.000 0.623 427 A CB -0.749 18.288 19.000 0.061 0.000 0.818 427 A HN 0.513 nan 8.150 nan 0.000 0.443 428 F N 0.976 120.905 119.950 -0.035 0.000 2.113 428 F HA -0.129 4.397 4.527 -0.000 0.000 0.297 428 F C 2.047 177.814 175.800 -0.055 0.000 1.103 428 F CA 1.896 59.870 58.000 -0.044 0.000 1.248 428 F CB -0.336 38.632 39.000 -0.055 0.000 0.999 428 F HN -0.002 nan 8.300 nan 0.000 0.475 429 V N 0.867 120.787 119.914 0.010 0.000 2.944 429 V HA -0.166 3.954 4.120 -0.000 0.000 0.265 429 V C 1.661 177.634 176.094 -0.201 0.000 1.125 429 V CA 1.065 63.290 62.300 -0.125 0.000 1.145 429 V CB -2.117 29.695 31.823 -0.018 0.000 0.725 429 V HN 0.458 nan 8.190 nan 0.000 0.510 430 G N 0.000 108.700 108.800 -0.167 0.000 5.446 430 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 430 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 430 G CA 0.000 45.013 45.100 -0.144 0.000 0.502 430 G HN 0.000 nan 8.290 nan 0.000 0.925