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 1u08_1_B DATA FIRST_RESID 5 DATA SEQUENCE PLIPQSKLPX XXXTIFTQMS ALAQQHQAIN LSQGFPDFDG PRYLQERLAH DATA SEQUENCE HVAQGANQYA PMTGVQALRE AIAQKTERLY GYQPDADSDI TVTAGATEAL DATA SEQUENCE YAAITALVRN GDEVICFDPS YDSYAPAIAL SGGIVKRMAL QPPHFRVDWQ DATA SEQUENCE EFAALLSERT RLVILNTPHN PSATVWQQAD FAALWQAIAG HEIFVISDEV DATA SEQUENCE YEHINFSQQG HASVLAHPQL RERAVAVSSF GKTYHMTGWK VGYCVAPAPI DATA SEQUENCE SAEIRKVHQY LTFSVNTPAQ LALADMLRAE PEHYLALPDF YRQKRDILVN DATA SEQUENCE ALNESRLEIL PCEGTYFLLV DYSAVSTLDD VEFCQWLTQE HGVAAIPLSV DATA SEQUENCE FCADPFPHKL IRLCFAKKES TLLAAAERLR QL 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 5 P HA 0.000 nan 4.420 nan 0.000 0.216 5 P C 0.000 177.301 177.300 0.001 0.000 1.155 5 P CA 0.000 63.100 63.100 0.001 0.000 0.800 5 P CB 0.000 31.701 31.700 0.001 0.000 0.726 6 L N 3.547 124.771 121.223 0.001 0.000 2.319 6 L HA 0.517 4.857 4.340 -0.001 0.000 0.280 6 L C -0.644 176.227 176.870 0.001 0.000 1.099 6 L CA 0.014 54.854 54.840 0.001 0.000 0.828 6 L CB 0.319 42.379 42.059 0.000 0.000 1.150 6 L HN 0.296 nan 8.230 nan 0.000 0.442 7 I N 6.730 127.301 120.570 0.002 0.000 2.339 7 I HA 0.390 4.559 4.170 -0.001 0.000 0.290 7 I C -1.724 174.394 176.117 0.002 0.000 0.994 7 I CA -1.608 59.693 61.300 0.002 0.000 1.191 7 I CB 0.998 39.000 38.000 0.002 0.000 1.343 7 I HN 0.606 nan 8.210 nan 0.000 0.458 8 P HA 0.230 nan 4.420 nan 0.000 0.275 8 P C -1.149 176.153 177.300 0.004 0.000 1.228 8 P CA -0.571 62.531 63.100 0.003 0.000 0.786 8 P CB 0.454 32.157 31.700 0.003 0.000 0.927 9 Q N 0.895 120.698 119.800 0.005 0.000 2.377 9 Q HA 0.266 4.605 4.340 -0.001 0.000 0.249 9 Q C 0.106 176.110 176.000 0.007 0.000 1.005 9 Q CA -0.257 55.549 55.803 0.006 0.000 0.912 9 Q CB 0.703 29.444 28.738 0.006 0.000 1.223 9 Q HN 0.424 nan 8.270 nan 0.000 0.459 10 S N 2.233 117.937 115.700 0.007 0.000 2.573 10 S HA -0.083 4.386 4.470 -0.001 0.000 0.297 10 S C 0.709 175.316 174.600 0.012 0.000 1.280 10 S CA 0.376 58.582 58.200 0.009 0.000 1.061 10 S CB 0.428 63.633 63.200 0.008 0.000 0.812 10 S HN 0.573 nan 8.310 nan 0.000 0.500 11 K N 3.544 123.953 120.400 0.015 0.000 2.404 11 K HA 0.251 4.570 4.320 -0.001 0.000 0.194 11 K C -0.123 176.490 176.600 0.021 0.000 1.023 11 K CA 0.371 56.669 56.287 0.019 0.000 1.094 11 K CB 0.140 32.655 32.500 0.025 0.000 0.841 11 K HN 0.527 nan 8.250 nan 0.000 0.523 12 L N 1.790 123.023 121.223 0.018 0.000 2.625 12 L HA 0.287 4.626 4.340 -0.001 0.000 0.255 12 L C -2.230 174.646 176.870 0.011 0.000 1.493 12 L CA -1.428 53.422 54.840 0.017 0.000 0.796 12 L CB 0.571 42.642 42.059 0.020 0.000 1.064 12 L HN -0.064 nan 8.230 nan 0.000 0.516 19 I N 1.778 122.418 120.570 0.117 0.000 2.068 19 I HA -0.116 4.053 4.170 -0.001 0.000 0.238 19 I C 1.855 177.995 176.117 0.039 0.000 1.046 19 I CA 1.954 63.276 61.300 0.037 0.000 1.306 19 I CB -0.719 37.231 38.000 -0.083 0.000 1.023 19 I HN 0.240 nan 8.210 nan 0.000 0.399 20 F N 0.317 120.253 119.950 -0.022 0.000 2.346 20 F HA -0.225 4.301 4.527 -0.002 0.000 0.301 20 F C 2.445 178.268 175.800 0.040 0.000 1.070 20 F CA 1.595 59.605 58.000 0.018 0.000 1.407 20 F CB -1.651 37.369 39.000 0.034 0.000 1.072 20 F HN 0.088 nan 8.300 nan 0.000 0.543 21 T N -1.733 112.941 114.554 0.200 0.000 3.044 21 T HA -0.093 4.257 4.350 -0.001 0.000 0.255 21 T C 1.786 176.536 174.700 0.082 0.000 1.073 21 T CA 0.769 62.947 62.100 0.131 0.000 1.125 21 T CB -0.009 68.922 68.868 0.104 0.000 0.908 21 T HN 0.199 nan 8.240 nan 0.000 0.480 22 Q N 1.059 120.895 119.800 0.060 0.000 1.994 22 Q HA -0.025 4.314 4.340 -0.001 0.000 0.198 22 Q C 2.155 178.173 176.000 0.030 0.000 0.976 22 Q CA 1.408 57.234 55.803 0.037 0.000 0.828 22 Q CB -0.385 28.365 28.738 0.020 0.000 0.894 22 Q HN 0.127 nan 8.270 nan 0.000 0.432 23 M N 0.134 119.739 119.600 0.008 0.000 2.089 23 M HA -0.164 4.316 4.480 -0.001 0.000 0.257 23 M C 2.204 178.517 176.300 0.023 0.000 1.071 23 M CA 1.846 57.143 55.300 -0.005 0.000 1.096 23 M CB -0.942 31.630 32.600 -0.046 0.000 1.330 23 M HN 0.196 nan 8.290 nan 0.000 0.403 24 S N -0.355 115.374 115.700 0.048 0.000 2.453 24 S HA 0.071 4.540 4.470 -0.001 0.000 0.231 24 S C 1.926 176.559 174.600 0.055 0.000 1.005 24 S CA 0.872 59.108 58.200 0.060 0.000 0.949 24 S CB -0.290 62.968 63.200 0.095 0.000 0.774 24 S HN 0.575 nan 8.310 nan 0.000 0.510 25 A N 0.780 123.632 122.820 0.053 0.000 1.943 25 A HA 0.227 4.546 4.320 -0.001 0.000 0.213 25 A C 1.965 179.581 177.584 0.053 0.000 1.181 25 A CA 0.550 52.614 52.037 0.046 0.000 0.653 25 A CB -0.431 18.595 19.000 0.043 0.000 0.833 25 A HN 0.396 nan 8.150 nan 0.000 0.451 26 L N -0.342 120.924 121.223 0.071 0.000 2.109 26 L HA 0.089 4.428 4.340 -0.001 0.000 0.207 26 L C 2.625 179.589 176.870 0.158 0.000 1.086 26 L CA 1.744 56.668 54.840 0.139 0.000 0.760 26 L CB -0.463 41.643 42.059 0.078 0.000 0.910 26 L HN 0.327 nan 8.230 nan 0.000 0.437 27 A N -0.757 122.106 122.820 0.072 0.000 2.015 27 A HA -0.218 4.101 4.320 -0.001 0.000 0.219 27 A C 2.138 179.751 177.584 0.049 0.000 1.163 27 A CA 1.514 53.581 52.037 0.050 0.000 0.646 27 A CB -0.463 18.550 19.000 0.023 0.000 0.806 27 A HN 0.649 nan 8.150 nan 0.000 0.448 28 Q N -0.843 118.981 119.800 0.040 0.000 2.089 28 Q HA -0.086 4.253 4.340 -0.001 0.000 0.195 28 Q C 1.835 177.824 176.000 -0.018 0.000 0.963 28 Q CA 1.561 57.375 55.803 0.017 0.000 0.834 28 Q CB -0.409 28.341 28.738 0.020 0.000 0.906 28 Q HN 0.474 nan 8.270 nan 0.000 0.452 29 Q N -0.230 119.543 119.800 -0.044 0.000 2.291 29 Q HA -0.124 4.215 4.340 -0.001 0.000 0.205 29 Q C 0.559 176.337 176.000 -0.371 0.000 0.970 29 Q CA 1.380 57.067 55.803 -0.193 0.000 0.876 29 Q CB 0.073 28.672 28.738 -0.231 0.000 0.935 29 Q HN 0.722 nan 8.270 nan 0.000 0.455 30 H N -0.600 118.449 119.070 -0.035 0.000 2.785 30 H HA 0.162 4.717 4.556 -0.001 0.000 0.268 30 H C -0.313 174.986 175.328 -0.048 0.000 1.153 30 H CA -0.298 55.719 56.048 -0.051 0.000 1.111 30 H CB 0.681 30.399 29.762 -0.074 0.000 1.633 30 H HN -0.073 nan 8.280 nan 0.000 0.576 31 Q N -0.021 119.801 119.800 0.037 0.000 2.439 31 Q HA -0.167 4.172 4.340 -0.001 0.000 0.325 31 Q C -0.242 175.771 176.000 0.021 0.000 1.372 31 Q CA 0.771 56.586 55.803 0.020 0.000 0.909 31 Q CB -1.840 26.901 28.738 0.006 0.000 1.167 31 Q HN 0.614 nan 8.270 nan 0.000 0.418 32 A N 0.517 123.352 122.820 0.024 0.000 2.304 32 A HA 0.596 4.915 4.320 -0.001 0.000 0.301 32 A C 0.501 178.085 177.584 0.001 0.000 1.132 32 A CA -0.635 51.402 52.037 0.000 0.000 0.819 32 A CB 0.684 19.674 19.000 -0.017 0.000 1.094 32 A HN 0.296 nan 8.150 nan 0.000 0.492 33 I N 3.060 123.628 120.570 -0.003 0.000 2.581 33 I HA -0.050 4.119 4.170 -0.001 0.000 0.285 33 I C 0.860 176.977 176.117 0.001 0.000 1.129 33 I CA 0.294 61.596 61.300 0.004 0.000 1.397 33 I CB -0.520 37.485 38.000 0.008 0.000 1.399 33 I HN 0.748 nan 8.210 nan 0.000 0.537 34 N N 7.122 125.821 118.700 -0.002 0.000 2.399 34 N HA 0.020 4.759 4.740 -0.001 0.000 0.259 34 N C -0.092 175.405 175.510 -0.021 0.000 1.160 34 N CA -0.243 52.797 53.050 -0.016 0.000 0.946 34 N CB 0.870 39.340 38.487 -0.028 0.000 1.156 34 N HN 0.443 nan 8.380 nan 0.000 0.489 35 L N 3.333 124.555 121.223 -0.001 0.000 3.016 35 L HA 0.125 4.465 4.340 -0.001 0.000 0.267 35 L C 1.919 178.818 176.870 0.048 0.000 1.182 35 L CA 0.222 55.078 54.840 0.027 0.000 0.997 35 L CB 0.072 42.168 42.059 0.063 0.000 1.354 35 L HN 0.645 nan 8.230 nan 0.000 0.569 36 S N -2.086 113.622 115.700 0.013 0.000 2.387 36 S HA 0.052 4.521 4.470 -0.001 0.000 0.221 36 S C 0.913 175.548 174.600 0.058 0.000 1.041 36 S CA -0.097 58.118 58.200 0.024 0.000 0.959 36 S CB -0.321 62.860 63.200 -0.030 0.000 0.843 36 S HN 0.382 nan 8.310 nan 0.000 0.488 37 Q N 1.528 121.299 119.800 -0.049 0.000 2.274 37 Q HA 0.283 4.623 4.340 -0.001 0.000 0.280 37 Q C 0.463 176.366 176.000 -0.161 0.000 1.047 37 Q CA 0.195 55.888 55.803 -0.183 0.000 0.907 37 Q CB 0.459 28.797 28.738 -0.667 0.000 1.171 37 Q HN 0.616 nan 8.270 nan 0.000 0.381 38 G N 3.852 112.789 108.800 0.229 0.000 3.452 38 G HA2 0.291 4.250 3.960 -0.001 0.000 0.258 38 G HA3 0.291 4.250 3.960 -0.001 0.000 0.258 38 G C -0.467 174.728 174.900 0.491 0.000 1.305 38 G CA -0.067 45.376 45.100 0.572 0.000 1.514 38 G HN 0.513 nan 8.290 nan 0.000 0.593 39 F N -2.839 117.205 119.950 0.157 0.000 2.645 39 F HA 0.722 5.249 4.527 -0.001 0.000 0.310 39 F C -3.025 172.654 175.800 -0.201 0.000 1.102 39 F CA -3.642 54.373 58.000 0.025 0.000 0.952 39 F CB 0.606 39.661 39.000 0.092 0.000 1.326 39 F HN -0.206 nan 8.300 nan 0.000 0.456 40 P HA 0.155 nan 4.420 nan 0.000 0.270 40 P C -0.406 176.703 177.300 -0.319 0.000 1.223 40 P CA 0.028 62.780 63.100 -0.580 0.000 0.785 40 P CB 0.605 31.586 31.700 -1.200 0.000 0.923 41 D N 0.013 120.189 120.400 -0.373 0.000 2.501 41 D HA 0.118 4.757 4.640 -0.001 0.000 0.224 41 D C -0.311 175.998 176.300 0.016 0.000 1.202 41 D CA -0.241 53.714 54.000 -0.074 0.000 0.829 41 D CB -0.653 40.146 40.800 -0.001 0.000 1.023 41 D HN 0.290 nan 8.370 nan 0.000 0.499 42 F N -0.842 119.153 119.950 0.075 0.000 2.611 42 F HA 0.737 5.263 4.527 -0.001 0.000 0.324 42 F C -0.243 175.605 175.800 0.079 0.000 1.061 42 F CA -1.596 56.439 58.000 0.058 0.000 0.954 42 F CB 0.755 39.772 39.000 0.028 0.000 1.301 42 F HN -0.339 nan 8.300 nan 0.000 0.482 43 D N -0.319 120.285 120.400 0.340 0.000 2.437 43 D HA 0.572 5.212 4.640 -0.001 0.000 0.259 43 D C 0.271 176.760 176.300 0.314 0.000 1.118 43 D CA -0.086 54.054 54.000 0.235 0.000 1.017 43 D CB 1.725 42.618 40.800 0.156 0.000 1.120 43 D HN 0.937 nan 8.370 nan 0.000 0.541 44 G N -0.356 108.565 108.800 0.201 0.000 2.543 44 G HA2 0.440 4.399 3.960 -0.001 0.000 0.290 44 G HA3 0.440 4.399 3.960 -0.001 0.000 0.290 44 G C -2.350 172.630 174.900 0.135 0.000 1.310 44 G CA -0.995 44.237 45.100 0.220 0.000 1.025 44 G HN 0.394 nan 8.290 nan 0.000 0.502 45 P HA 0.141 nan 4.420 nan 0.000 0.267 45 P C 0.640 177.956 177.300 0.026 0.000 1.205 45 P CA -0.198 62.946 63.100 0.074 0.000 0.765 45 P CB 0.693 32.425 31.700 0.054 0.000 0.828 46 R N 2.280 122.817 120.500 0.061 0.000 2.276 46 R HA -0.108 4.231 4.340 -0.001 0.000 0.203 46 R C 1.638 177.964 176.300 0.044 0.000 1.017 46 R CA 0.851 56.982 56.100 0.051 0.000 1.010 46 R CB -1.017 29.318 30.300 0.060 0.000 0.900 46 R HN 0.491 nan 8.270 nan 0.000 0.469 47 Y N 1.903 122.180 120.300 -0.038 0.000 2.181 47 Y HA -0.138 4.412 4.550 -0.001 0.000 0.288 47 Y C 2.141 178.004 175.900 -0.062 0.000 1.146 47 Y CA 1.311 59.379 58.100 -0.053 0.000 1.164 47 Y CB -0.089 38.328 38.460 -0.071 0.000 0.982 47 Y HN -0.019 nan 8.280 nan 0.000 0.515 48 L N 0.164 121.278 121.223 -0.183 0.000 2.046 48 L HA -0.266 4.073 4.340 -0.001 0.000 0.208 48 L C 2.315 179.163 176.870 -0.038 0.000 1.077 48 L CA 1.818 56.514 54.840 -0.241 0.000 0.747 48 L CB -0.410 41.436 42.059 -0.355 0.000 0.896 48 L HN 0.426 nan 8.230 nan 0.000 0.432 49 Q N -0.501 119.315 119.800 0.026 0.000 2.124 49 Q HA -0.255 4.084 4.340 -0.001 0.000 0.202 49 Q C 1.901 177.947 176.000 0.078 0.000 0.977 49 Q CA 1.656 57.580 55.803 0.200 0.000 0.850 49 Q CB -0.151 28.680 28.738 0.155 0.000 0.901 49 Q HN 0.610 nan 8.270 nan 0.000 0.429 50 E N 0.289 120.462 120.200 -0.044 0.000 2.106 50 E HA -0.117 4.232 4.350 -0.001 0.000 0.192 50 E C 2.084 178.600 176.600 -0.140 0.000 0.984 50 E CA 0.445 56.793 56.400 -0.086 0.000 0.806 50 E CB 0.126 29.761 29.700 -0.108 0.000 0.750 50 E HN 0.163 nan 8.360 nan 0.000 0.458 51 R N 0.528 120.870 120.500 -0.263 0.000 2.148 51 R HA -0.067 4.272 4.340 -0.001 0.000 0.223 51 R C 2.357 178.657 176.300 0.000 0.000 1.088 51 R CA 0.444 56.404 56.100 -0.233 0.000 0.985 51 R CB -0.723 29.364 30.300 -0.354 0.000 0.880 51 R HN 0.201 nan 8.270 nan 0.000 0.451 52 L N 0.839 122.088 121.223 0.043 0.000 1.994 52 L HA -0.050 4.289 4.340 -0.001 0.000 0.208 52 L C 2.174 179.048 176.870 0.007 0.000 1.071 52 L CA 2.169 57.035 54.840 0.042 0.000 0.745 52 L CB -0.788 41.255 42.059 -0.027 0.000 0.892 52 L HN 0.135 nan 8.230 nan 0.000 0.431 53 A N -1.337 121.481 122.820 -0.004 0.000 1.940 53 A HA -0.294 4.025 4.320 -0.001 0.000 0.219 53 A C 2.403 179.968 177.584 -0.032 0.000 1.176 53 A CA 1.757 53.783 52.037 -0.019 0.000 0.631 53 A CB -1.191 17.805 19.000 -0.007 0.000 0.814 53 A HN 0.793 nan 8.150 nan 0.000 0.446 54 H N -1.106 117.876 119.070 -0.147 0.000 2.321 54 H HA -0.164 4.392 4.556 -0.001 0.000 0.300 54 H C 1.869 177.058 175.328 -0.231 0.000 1.087 54 H CA 1.924 57.840 56.048 -0.220 0.000 1.319 54 H CB -0.273 29.286 29.762 -0.339 0.000 1.379 54 H HN 0.610 nan 8.280 nan 0.000 0.501 55 H N -0.099 118.919 119.070 -0.087 0.000 2.423 55 H HA -0.053 4.502 4.556 -0.002 0.000 0.297 55 H C 2.685 177.925 175.328 -0.147 0.000 1.075 55 H CA 1.118 57.085 56.048 -0.134 0.000 1.342 55 H CB 0.039 29.781 29.762 -0.033 0.000 1.395 55 H HN 0.218 nan 8.280 nan 0.000 0.530 56 V N 1.080 120.981 119.914 -0.023 0.000 2.358 56 V HA -0.209 3.910 4.120 -0.001 0.000 0.246 56 V C 2.801 178.843 176.094 -0.087 0.000 1.047 56 V CA 1.482 63.748 62.300 -0.055 0.000 1.035 56 V CB -0.950 30.835 31.823 -0.063 0.000 0.658 56 V HN 0.436 nan 8.190 nan 0.000 0.452 57 A N -1.077 121.668 122.820 -0.124 0.000 1.933 57 A HA -0.272 4.047 4.320 -0.001 0.000 0.218 57 A C 2.159 179.648 177.584 -0.158 0.000 1.175 57 A CA 1.757 53.713 52.037 -0.135 0.000 0.628 57 A CB -0.498 18.415 19.000 -0.144 0.000 0.814 57 A HN 0.571 nan 8.150 nan 0.000 0.444 58 Q N -1.740 117.919 119.800 -0.234 0.000 2.488 58 Q HA 0.151 4.490 4.340 -0.001 0.000 0.211 58 Q C 1.095 177.036 176.000 -0.097 0.000 0.967 58 Q CA 0.526 56.213 55.803 -0.194 0.000 0.926 58 Q CB -0.128 28.448 28.738 -0.270 0.000 0.992 58 Q HN 0.909 nan 8.270 nan 0.000 0.506 59 G N -0.365 108.386 108.800 -0.081 0.000 2.141 59 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.242 59 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.242 59 G C 0.257 175.133 174.900 -0.040 0.000 0.982 59 G CA 0.070 45.137 45.100 -0.056 0.000 0.662 59 G HN 0.450 nan 8.290 nan 0.000 0.527 60 A N 0.365 123.170 122.820 -0.025 0.000 3.051 60 A HA 0.507 4.826 4.320 -0.001 0.000 0.257 60 A C 1.204 178.768 177.584 -0.035 0.000 1.785 60 A CA 0.544 52.570 52.037 -0.018 0.000 1.420 60 A CB -0.419 18.581 19.000 0.000 0.000 1.063 60 A HN 0.386 nan 8.150 nan 0.000 0.630 61 N N -0.076 118.595 118.700 -0.048 0.000 2.187 61 N HA 0.043 4.782 4.740 -0.001 0.000 0.212 61 N C -0.091 175.365 175.510 -0.090 0.000 1.152 61 N CA 0.061 53.071 53.050 -0.066 0.000 0.872 61 N CB 0.576 39.019 38.487 -0.073 0.000 1.025 61 N HN 0.543 nan 8.380 nan 0.000 0.514 62 Q N 0.024 119.779 119.800 -0.076 0.000 2.169 62 Q HA 0.264 4.603 4.340 -0.001 0.000 0.234 62 Q C -0.161 175.820 176.000 -0.031 0.000 0.980 62 Q CA -0.667 55.064 55.803 -0.119 0.000 0.941 62 Q CB 0.262 28.956 28.738 -0.074 0.000 1.199 62 Q HN 0.092 nan 8.270 nan 0.000 0.496 63 Y N 0.336 120.663 120.300 0.045 0.000 2.987 63 Y HA 0.044 4.593 4.550 -0.001 0.000 0.339 63 Y C 0.765 176.710 175.900 0.076 0.000 1.272 63 Y CA 0.390 58.548 58.100 0.097 0.000 1.562 63 Y CB -0.235 38.327 38.460 0.170 0.000 1.253 63 Y HN 0.519 nan 8.280 nan 0.000 0.604 64 A N 5.453 128.423 122.820 0.251 0.000 2.256 64 A HA 0.682 5.001 4.320 -0.001 0.000 0.318 64 A C -2.415 175.209 177.584 0.066 0.000 1.103 64 A CA -1.947 50.155 52.037 0.108 0.000 0.860 64 A CB 0.089 19.121 19.000 0.054 0.000 1.182 64 A HN 0.533 nan 8.150 nan 0.000 0.501 65 P HA 0.003 nan 4.420 nan 0.000 0.269 65 P C 1.108 178.285 177.300 -0.205 0.000 1.215 65 P CA -0.395 62.668 63.100 -0.062 0.000 0.780 65 P CB 0.313 31.987 31.700 -0.042 0.000 0.898 66 M N 2.456 121.815 119.600 -0.403 0.000 2.149 66 M HA -0.130 4.349 4.480 -0.001 0.000 0.261 66 M C 1.182 177.364 176.300 -0.198 0.000 1.064 66 M CA 2.712 57.639 55.300 -0.621 0.000 1.102 66 M CB -1.219 30.918 32.600 -0.772 0.000 1.369 66 M HN 0.408 nan 8.290 nan 0.000 0.408 67 T N -2.017 112.453 114.554 -0.139 0.000 3.100 67 T HA 0.438 4.787 4.350 -0.001 0.000 0.253 67 T C 0.960 175.602 174.700 -0.096 0.000 1.118 67 T CA 0.488 62.528 62.100 -0.101 0.000 1.058 67 T CB -0.371 68.451 68.868 -0.077 0.000 0.953 67 T HN 0.685 nan 8.240 nan 0.000 0.515 68 G N 0.402 109.156 108.800 -0.077 0.000 2.484 68 G HA2 0.123 4.082 3.960 -0.001 0.000 0.685 68 G HA3 0.123 4.082 3.960 -0.001 0.000 0.685 68 G C -0.857 174.019 174.900 -0.040 0.000 1.294 68 G CA -0.728 44.344 45.100 -0.047 0.000 0.879 68 G HN 0.433 nan 8.290 nan 0.000 0.646 69 V N 1.950 121.846 119.914 -0.030 0.000 2.617 69 V HA 0.090 4.209 4.120 -0.001 0.000 0.304 69 V C 2.021 178.092 176.094 -0.040 0.000 1.040 69 V CA 1.505 63.783 62.300 -0.037 0.000 1.149 69 V CB 1.341 33.132 31.823 -0.054 0.000 0.914 69 V HN 1.033 nan 8.190 nan 0.000 0.487 70 Q N 5.521 125.300 119.800 -0.035 0.000 2.045 70 Q HA -0.236 4.103 4.340 -0.001 0.000 0.206 70 Q C 2.130 178.109 176.000 -0.036 0.000 0.991 70 Q CA 2.661 58.445 55.803 -0.033 0.000 0.851 70 Q CB -0.491 28.233 28.738 -0.023 0.000 0.911 70 Q HN 0.941 nan 8.270 nan 0.000 0.418 71 A N -0.141 122.658 122.820 -0.036 0.000 1.948 71 A HA -0.186 4.134 4.320 -0.001 0.000 0.220 71 A C 2.013 179.573 177.584 -0.040 0.000 1.177 71 A CA 1.645 53.661 52.037 -0.034 0.000 0.636 71 A CB -0.858 18.120 19.000 -0.036 0.000 0.815 71 A HN 0.485 nan 8.150 nan 0.000 0.449 72 L N -0.365 120.829 121.223 -0.048 0.000 2.027 72 L HA -0.057 4.282 4.340 -0.001 0.000 0.206 72 L C 2.438 179.276 176.870 -0.054 0.000 1.074 72 L CA 1.846 56.660 54.840 -0.044 0.000 0.745 72 L CB -0.648 41.392 42.059 -0.031 0.000 0.898 72 L HN 0.342 nan 8.230 nan 0.000 0.433 73 R N -0.423 120.039 120.500 -0.064 0.000 2.096 73 R HA -0.153 4.186 4.340 -0.001 0.000 0.235 73 R C 2.083 178.328 176.300 -0.091 0.000 1.127 73 R CA 1.716 57.759 56.100 -0.095 0.000 0.968 73 R CB -0.289 29.966 30.300 -0.074 0.000 0.861 73 R HN 0.542 nan 8.270 nan 0.000 0.440 74 E N 0.293 120.456 120.200 -0.061 0.000 2.107 74 E HA -0.117 4.232 4.350 -0.001 0.000 0.191 74 E C 1.985 178.555 176.600 -0.049 0.000 0.982 74 E CA 0.982 57.351 56.400 -0.051 0.000 0.809 74 E CB -0.041 29.639 29.700 -0.034 0.000 0.756 74 E HN 0.340 nan 8.360 nan 0.000 0.459 75 A N 1.096 123.892 122.820 -0.040 0.000 1.969 75 A HA -0.121 4.198 4.320 -0.001 0.000 0.218 75 A C 2.129 179.698 177.584 -0.024 0.000 1.169 75 A CA 0.858 52.884 52.037 -0.018 0.000 0.635 75 A CB -0.427 18.572 19.000 -0.003 0.000 0.810 75 A HN 0.125 nan 8.150 nan 0.000 0.445 76 I N -0.449 120.072 120.570 -0.082 0.000 2.353 76 I HA -0.212 3.957 4.170 -0.001 0.000 0.248 76 I C 2.935 178.964 176.117 -0.146 0.000 1.119 76 I CA 0.820 62.017 61.300 -0.171 0.000 1.417 76 I CB -0.280 37.442 38.000 -0.464 0.000 1.078 76 I HN 0.351 nan 8.210 nan 0.000 0.421 77 A N 0.314 123.057 122.820 -0.129 0.000 1.883 77 A HA -0.237 4.082 4.320 -0.001 0.000 0.217 77 A C 2.279 179.794 177.584 -0.114 0.000 1.186 77 A CA 1.421 53.383 52.037 -0.126 0.000 0.624 77 A CB -0.484 18.457 19.000 -0.098 0.000 0.822 77 A HN 0.356 nan 8.150 nan 0.000 0.444 78 Q N -0.329 119.429 119.800 -0.071 0.000 2.084 78 Q HA -0.185 4.154 4.340 -0.001 0.000 0.202 78 Q C 2.087 178.066 176.000 -0.035 0.000 0.978 78 Q CA 1.867 57.641 55.803 -0.047 0.000 0.844 78 Q CB -0.417 28.310 28.738 -0.019 0.000 0.898 78 Q HN 0.826 nan 8.270 nan 0.000 0.426 79 K N 0.137 120.530 120.400 -0.013 0.000 2.057 79 K HA -0.114 4.205 4.320 -0.001 0.000 0.207 79 K C 1.933 178.484 176.600 -0.083 0.000 1.049 79 K CA 1.633 57.932 56.287 0.020 0.000 0.931 79 K CB 0.070 32.609 32.500 0.064 0.000 0.714 79 K HN 0.103 nan 8.250 nan 0.000 0.440 80 T N 1.367 115.856 114.554 -0.109 0.000 2.788 80 T HA -0.137 4.212 4.350 -0.001 0.000 0.268 80 T C 1.645 176.221 174.700 -0.208 0.000 1.044 80 T CA 1.197 63.209 62.100 -0.146 0.000 1.139 80 T CB -0.150 68.626 68.868 -0.153 0.000 0.867 80 T HN 0.324 nan 8.240 nan 0.000 0.454 81 E N 1.484 121.570 120.200 -0.190 0.000 2.047 81 E HA -0.112 4.237 4.350 -0.001 0.000 0.191 81 E C 2.396 178.949 176.600 -0.079 0.000 0.987 81 E CA 1.036 57.350 56.400 -0.142 0.000 0.799 81 E CB -0.050 29.585 29.700 -0.108 0.000 0.752 81 E HN 0.452 nan 8.360 nan 0.000 0.449 82 R N -0.013 120.447 120.500 -0.067 0.000 2.073 82 R HA -0.083 4.256 4.340 -0.001 0.000 0.234 82 R C 2.723 178.983 176.300 -0.067 0.000 1.134 82 R CA 1.258 57.340 56.100 -0.029 0.000 0.952 82 R CB -0.329 29.986 30.300 0.026 0.000 0.850 82 R HN 0.195 nan 8.270 nan 0.000 0.433 83 L N -1.030 120.068 121.223 -0.208 0.000 2.044 83 L HA -0.134 4.205 4.340 -0.001 0.000 0.205 83 L C 1.382 177.986 176.870 -0.443 0.000 1.075 83 L CA 1.353 55.923 54.840 -0.449 0.000 0.747 83 L CB -0.094 41.382 42.059 -0.971 0.000 0.903 83 L HN 0.248 nan 8.230 nan 0.000 0.435 84 Y N -1.156 119.189 120.300 0.075 0.000 2.584 84 Y HA 0.324 4.873 4.550 -0.002 0.000 0.254 84 Y C 1.539 177.519 175.900 0.134 0.000 1.177 84 Y CA 0.022 58.189 58.100 0.112 0.000 1.216 84 Y CB 0.535 39.098 38.460 0.172 0.000 1.172 84 Y HN 0.230 nan 8.280 nan 0.000 0.529 85 G N 1.142 110.035 108.800 0.156 0.000 2.203 85 G HA2 -0.360 3.599 3.960 -0.001 0.000 0.263 85 G HA3 -0.360 3.599 3.960 -0.001 0.000 0.263 85 G C -0.410 174.605 174.900 0.192 0.000 1.012 85 G CA 0.785 45.965 45.100 0.133 0.000 0.749 85 G HN 0.601 nan 8.290 nan 0.000 0.512 86 Y N -1.915 118.419 120.300 0.057 0.000 2.513 86 Y HA 0.729 5.278 4.550 -0.002 0.000 0.340 86 Y C -0.787 175.138 175.900 0.041 0.000 1.055 86 Y CA -1.534 56.590 58.100 0.038 0.000 1.020 86 Y CB 1.191 39.670 38.460 0.032 0.000 1.301 86 Y HN 0.167 nan 8.280 nan 0.000 0.453 87 Q N 6.386 126.101 119.800 -0.142 0.000 2.372 87 Q HA 0.536 4.875 4.340 -0.001 0.000 0.259 87 Q C -2.651 173.241 176.000 -0.180 0.000 0.993 87 Q CA -2.140 53.510 55.803 -0.254 0.000 0.854 87 Q CB 1.433 30.116 28.738 -0.092 0.000 1.231 87 Q HN 0.581 nan 8.270 nan 0.000 0.462 88 P HA 0.013 nan 4.420 nan 0.000 0.272 88 P C -1.052 176.237 177.300 -0.019 0.000 1.240 88 P CA -0.350 62.723 63.100 -0.044 0.000 0.791 88 P CB 0.579 32.233 31.700 -0.076 0.000 0.978 89 D N 0.864 121.279 120.400 0.025 0.000 2.325 89 D HA 0.135 4.774 4.640 -0.001 0.000 0.251 89 D C 0.940 177.233 176.300 -0.012 0.000 1.196 89 D CA -0.141 53.863 54.000 0.008 0.000 0.866 89 D CB 1.261 42.074 40.800 0.021 0.000 1.101 89 D HN 0.305 nan 8.370 nan 0.000 0.476 90 A N 4.452 127.256 122.820 -0.027 0.000 1.972 90 A HA -0.181 4.138 4.320 -0.001 0.000 0.219 90 A C 1.589 179.153 177.584 -0.033 0.000 1.169 90 A CA 1.234 53.246 52.037 -0.040 0.000 0.635 90 A CB 0.041 19.015 19.000 -0.043 0.000 0.810 90 A HN 0.608 nan 8.150 nan 0.000 0.446 91 D N -0.708 119.680 120.400 -0.021 0.000 2.213 91 D HA -0.049 4.590 4.640 -0.001 0.000 0.205 91 D C 2.202 178.493 176.300 -0.015 0.000 0.961 91 D CA 1.615 55.604 54.000 -0.019 0.000 0.853 91 D CB -0.013 40.780 40.800 -0.012 0.000 0.967 91 D HN 0.613 nan 8.370 nan 0.000 0.496 92 S N -0.460 115.236 115.700 -0.006 0.000 2.524 92 S HA 0.028 4.498 4.470 -0.001 0.000 0.222 92 S C 1.029 175.632 174.600 0.005 0.000 1.040 92 S CA -0.125 58.075 58.200 0.000 0.000 0.915 92 S CB 0.433 63.639 63.200 0.010 0.000 0.831 92 S HN -0.138 nan 8.310 nan 0.000 0.492 93 D N 1.226 121.632 120.400 0.010 0.000 2.389 93 D HA 0.381 5.020 4.640 -0.001 0.000 0.206 93 D C 0.105 176.414 176.300 0.016 0.000 1.055 93 D CA 0.171 54.186 54.000 0.025 0.000 0.856 93 D CB 0.503 41.338 40.800 0.058 0.000 0.957 93 D HN 0.445 nan 8.370 nan 0.000 0.509 94 I N 0.563 121.125 120.570 -0.014 0.000 2.433 94 I HA 0.279 4.448 4.170 -0.001 0.000 0.292 94 I C -0.472 175.620 176.117 -0.043 0.000 1.001 94 I CA -0.313 60.969 61.300 -0.030 0.000 1.119 94 I CB 2.216 40.161 38.000 -0.091 0.000 1.289 94 I HN -0.363 nan 8.210 nan 0.000 0.438 95 T N 4.927 119.465 114.554 -0.027 0.000 2.881 95 T HA 0.364 4.713 4.350 -0.001 0.000 0.291 95 T C -0.282 174.378 174.700 -0.067 0.000 0.990 95 T CA -0.460 61.589 62.100 -0.085 0.000 0.976 95 T CB 1.826 70.617 68.868 -0.128 0.000 0.970 95 T HN 0.139 nan 8.240 nan 0.000 0.438 96 V N 4.304 124.164 119.914 -0.090 0.000 2.583 96 V HA 0.650 4.770 4.120 -0.001 0.000 0.287 96 V C 0.817 176.824 176.094 -0.145 0.000 1.051 96 V CA -0.357 61.937 62.300 -0.009 0.000 1.010 96 V CB 1.187 33.038 31.823 0.046 0.000 0.988 96 V HN 1.114 nan 8.190 nan 0.000 0.478 97 T N 1.062 115.596 114.554 -0.033 0.000 2.896 97 T HA 0.684 5.033 4.350 -0.001 0.000 0.297 97 T C -0.075 174.673 174.700 0.080 0.000 1.108 97 T CA -0.330 61.752 62.100 -0.031 0.000 1.004 97 T CB 1.900 70.743 68.868 -0.042 0.000 1.159 97 T HN 0.904 nan 8.240 nan 0.000 0.499 98 A N 1.149 124.037 122.820 0.112 0.000 3.052 98 A HA 0.632 4.951 4.320 -0.001 0.000 0.266 98 A C 1.251 178.889 177.584 0.089 0.000 1.855 98 A CA 0.307 52.408 52.037 0.108 0.000 1.473 98 A CB -1.806 17.254 19.000 0.101 0.000 1.038 98 A HN 2.178 nan 8.150 nan 0.000 0.619 99 G N -1.107 107.746 108.800 0.089 0.000 2.619 99 G HA2 0.291 4.250 3.960 -0.001 0.000 0.686 99 G HA3 0.291 4.250 3.960 -0.001 0.000 0.686 99 G C 0.682 175.586 174.900 0.007 0.000 1.256 99 G CA -0.335 44.800 45.100 0.059 0.000 0.826 99 G HN 1.514 nan 8.290 nan 0.000 0.619 100 A N -0.185 122.605 122.820 -0.050 0.000 1.969 100 A HA 0.160 4.479 4.320 -0.001 0.000 0.218 100 A C 2.622 180.205 177.584 -0.002 0.000 1.169 100 A CA 2.899 54.879 52.037 -0.096 0.000 0.635 100 A CB -0.869 18.020 19.000 -0.185 0.000 0.810 100 A HN 1.629 nan 8.150 nan 0.000 0.445 101 T N -0.214 114.366 114.554 0.043 0.000 2.665 101 T HA -0.226 4.124 4.350 -0.001 0.000 0.268 101 T C 1.841 176.621 174.700 0.133 0.000 1.035 101 T CA 1.664 63.831 62.100 0.113 0.000 1.151 101 T CB -0.284 68.647 68.868 0.104 0.000 0.862 101 T HN 0.682 nan 8.240 nan 0.000 0.438 102 E N 0.706 120.967 120.200 0.101 0.000 2.150 102 E HA -0.095 4.254 4.350 -0.001 0.000 0.193 102 E C 2.401 179.090 176.600 0.149 0.000 0.985 102 E CA 0.898 57.377 56.400 0.132 0.000 0.814 102 E CB -0.159 29.608 29.700 0.113 0.000 0.752 102 E HN 0.498 nan 8.360 nan 0.000 0.466 103 A N 0.989 123.855 122.820 0.076 0.000 1.898 103 A HA -0.122 4.197 4.320 -0.001 0.000 0.216 103 A C 2.191 179.813 177.584 0.063 0.000 1.181 103 A CA 0.873 52.931 52.037 0.035 0.000 0.620 103 A CB -0.512 18.465 19.000 -0.039 0.000 0.819 103 A HN 0.253 nan 8.150 nan 0.000 0.442 104 L N -2.340 118.941 121.223 0.098 0.000 2.027 104 L HA -0.176 4.163 4.340 -0.001 0.000 0.206 104 L C 2.589 179.546 176.870 0.145 0.000 1.074 104 L CA 1.829 56.746 54.840 0.129 0.000 0.745 104 L CB -0.666 41.531 42.059 0.230 0.000 0.898 104 L HN 0.583 nan 8.230 nan 0.000 0.433 105 Y N 0.487 120.839 120.300 0.087 0.000 2.224 105 Y HA -0.262 4.288 4.550 -0.000 0.000 0.289 105 Y C 2.447 178.384 175.900 0.061 0.000 1.146 105 Y CA 1.372 59.519 58.100 0.078 0.000 1.182 105 Y CB -0.074 38.429 38.460 0.073 0.000 0.983 105 Y HN 0.115 nan 8.280 nan 0.000 0.524 106 A N 0.282 123.246 122.820 0.239 0.000 1.897 106 A HA -0.056 4.263 4.320 -0.001 0.000 0.215 106 A C 2.376 179.972 177.584 0.020 0.000 1.181 106 A CA 1.570 53.701 52.037 0.157 0.000 0.620 106 A CB -1.423 17.681 19.000 0.174 0.000 0.821 106 A HN 0.567 nan 8.150 nan 0.000 0.443 107 A N 0.012 122.833 122.820 0.001 0.000 1.877 107 A HA -0.076 4.243 4.320 -0.001 0.000 0.216 107 A C 2.138 179.672 177.584 -0.083 0.000 1.186 107 A CA 1.527 53.536 52.037 -0.047 0.000 0.620 107 A CB -0.615 18.361 19.000 -0.040 0.000 0.822 107 A HN 0.482 nan 8.150 nan 0.000 0.443 108 I N -0.470 120.049 120.570 -0.086 0.000 2.179 108 I HA -0.227 3.942 4.170 -0.001 0.000 0.242 108 I C 2.549 178.572 176.117 -0.156 0.000 1.088 108 I CA 1.822 63.056 61.300 -0.110 0.000 1.357 108 I CB -0.605 37.332 38.000 -0.106 0.000 1.051 108 I HN 0.262 nan 8.210 nan 0.000 0.409 109 T N 0.682 115.092 114.554 -0.239 0.000 2.788 109 T HA -0.115 4.234 4.350 -0.001 0.000 0.268 109 T C 1.937 176.575 174.700 -0.103 0.000 1.044 109 T CA 1.345 63.314 62.100 -0.220 0.000 1.139 109 T CB -0.231 68.463 68.868 -0.291 0.000 0.867 109 T HN 0.474 nan 8.240 nan 0.000 0.454 110 A N 0.641 123.410 122.820 -0.085 0.000 2.014 110 A HA 0.192 4.511 4.320 -0.001 0.000 0.218 110 A C 2.094 179.608 177.584 -0.118 0.000 1.163 110 A CA 0.876 52.868 52.037 -0.074 0.000 0.652 110 A CB -0.399 18.559 19.000 -0.070 0.000 0.808 110 A HN 0.496 nan 8.150 nan 0.000 0.449 111 L N -0.890 120.246 121.223 -0.144 0.000 2.515 111 L HA 0.148 4.487 4.340 -0.001 0.000 0.223 111 L C -0.172 176.666 176.870 -0.052 0.000 1.079 111 L CA -0.054 54.683 54.840 -0.171 0.000 0.857 111 L CB 0.335 42.239 42.059 -0.260 0.000 1.050 111 L HN 0.020 nan 8.230 nan 0.000 0.476 112 V N 1.430 121.317 119.914 -0.045 0.000 2.385 112 V HA 0.261 4.380 4.120 -0.001 0.000 0.269 112 V C -0.014 176.074 176.094 -0.011 0.000 1.043 112 V CA -0.473 61.819 62.300 -0.014 0.000 0.906 112 V CB 0.969 32.776 31.823 -0.026 0.000 0.995 112 V HN 0.212 nan 8.190 nan 0.000 0.467 113 R N 2.981 123.487 120.500 0.010 0.000 2.691 113 R HA 0.426 4.765 4.340 -0.001 0.000 0.259 113 R C 0.219 176.525 176.300 0.010 0.000 1.048 113 R CA -0.901 55.206 56.100 0.010 0.000 1.086 113 R CB 0.386 30.699 30.300 0.022 0.000 1.166 113 R HN 0.589 nan 8.270 nan 0.000 0.526 114 N N 0.971 119.676 118.700 0.009 0.000 2.359 114 N HA 0.024 4.763 4.740 -0.001 0.000 0.261 114 N C 0.795 176.310 175.510 0.009 0.000 1.267 114 N CA 1.741 54.795 53.050 0.008 0.000 0.864 114 N CB 0.863 39.355 38.487 0.008 0.000 1.063 114 N HN 0.828 nan 8.380 nan 0.000 0.474 115 G N 1.972 110.777 108.800 0.007 0.000 2.205 115 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.261 115 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.261 115 G C -0.106 174.799 174.900 0.008 0.000 0.980 115 G CA -0.019 45.085 45.100 0.006 0.000 0.632 115 G HN 0.581 nan 8.290 nan 0.000 0.533 116 D N 1.472 121.880 120.400 0.013 0.000 2.399 116 D HA 0.426 5.065 4.640 -0.001 0.000 0.241 116 D C 0.679 176.984 176.300 0.008 0.000 1.133 116 D CA 0.377 54.388 54.000 0.018 0.000 0.890 116 D CB 0.628 41.447 40.800 0.032 0.000 1.201 116 D HN 0.546 nan 8.370 nan 0.000 0.432 117 E N 0.339 120.540 120.200 0.002 0.000 2.191 117 E HA 0.439 4.788 4.350 -0.001 0.000 0.278 117 E C -0.790 175.801 176.600 -0.014 0.000 0.972 117 E CA -0.824 55.567 56.400 -0.015 0.000 0.804 117 E CB 1.954 31.633 29.700 -0.035 0.000 1.110 117 E HN 0.065 nan 8.360 nan 0.000 0.394 118 V N 4.503 124.405 119.914 -0.020 0.000 2.487 118 V HA 0.345 4.464 4.120 -0.001 0.000 0.298 118 V C -0.096 175.965 176.094 -0.055 0.000 1.028 118 V CA -0.692 61.599 62.300 -0.016 0.000 0.860 118 V CB 1.350 33.175 31.823 0.003 0.000 0.991 118 V HN 0.609 nan 8.190 nan 0.000 0.427 119 I N 4.155 124.679 120.570 -0.077 0.000 2.342 119 I HA 0.435 4.604 4.170 -0.001 0.000 0.291 119 I C -0.101 175.889 176.117 -0.212 0.000 1.010 119 I CA 0.168 61.363 61.300 -0.175 0.000 1.308 119 I CB 0.886 38.754 38.000 -0.219 0.000 1.400 119 I HN 0.605 nan 8.210 nan 0.000 0.488 120 C N 5.390 124.521 119.300 -0.282 0.000 2.913 120 C HA 0.656 5.115 4.460 -0.001 0.000 0.322 120 C C -0.586 174.161 174.990 -0.405 0.000 1.292 120 C CA -0.781 58.120 59.018 -0.195 0.000 1.649 120 C CB 1.700 29.472 27.740 0.054 0.000 2.139 120 C HN 0.482 nan 8.230 nan 0.000 0.475 121 F N 0.780 120.837 119.950 0.178 0.000 2.520 121 F HA 0.474 5.000 4.527 -0.002 0.000 0.322 121 F C -0.022 175.894 175.800 0.193 0.000 1.103 121 F CA -0.410 57.682 58.000 0.153 0.000 0.926 121 F CB 1.026 40.094 39.000 0.113 0.000 1.154 121 F HN 0.392 nan 8.300 nan 0.000 0.453 122 D N 2.974 123.563 120.400 0.315 0.000 2.198 122 D HA 0.447 5.086 4.640 -0.001 0.000 0.247 122 D C -2.584 173.869 176.300 0.255 0.000 1.010 122 D CA -1.934 52.220 54.000 0.258 0.000 0.880 122 D CB 1.865 42.772 40.800 0.179 0.000 1.209 122 D HN 0.085 nan 8.370 nan 0.000 0.451 123 P HA 0.161 nan 4.420 nan 0.000 0.269 123 P C -0.920 176.563 177.300 0.305 0.000 1.215 123 P CA -0.130 63.049 63.100 0.132 0.000 0.780 123 P CB 0.760 32.410 31.700 -0.083 0.000 0.898 124 S N 1.497 117.365 115.700 0.280 0.000 2.588 124 S HA 0.439 4.908 4.470 -0.001 0.000 0.275 124 S C -1.463 173.293 174.600 0.261 0.000 1.130 124 S CA -0.641 57.753 58.200 0.324 0.000 0.855 124 S CB 0.302 63.733 63.200 0.385 0.000 1.116 124 S HN 0.276 nan 8.310 nan 0.000 0.472 125 Y N 2.727 123.029 120.300 0.002 0.000 2.497 125 Y HA 0.154 4.703 4.550 -0.002 0.000 0.334 125 Y C 1.481 177.198 175.900 -0.305 0.000 1.199 125 Y CA 0.113 58.118 58.100 -0.157 0.000 1.425 125 Y CB 0.673 38.924 38.460 -0.349 0.000 1.291 125 Y HN 0.836 nan 8.280 nan 0.000 0.562 126 D N 0.929 120.924 120.400 -0.675 0.000 2.363 126 D HA -0.131 4.508 4.640 -0.001 0.000 0.226 126 D C 1.487 177.498 176.300 -0.481 0.000 1.020 126 D CA 1.006 54.710 54.000 -0.492 0.000 0.892 126 D CB -0.460 40.093 40.800 -0.411 0.000 0.900 126 D HN 0.440 nan 8.370 nan 0.000 0.531 127 S N -0.850 114.453 115.700 -0.662 0.000 2.470 127 S HA -0.095 4.374 4.470 -0.001 0.000 0.225 127 S C 1.558 176.138 174.600 -0.033 0.000 1.006 127 S CA -0.127 57.904 58.200 -0.281 0.000 0.934 127 S CB -0.638 62.488 63.200 -0.123 0.000 0.778 127 S HN 0.172 nan 8.310 nan 0.000 0.517 128 Y N 2.470 122.820 120.300 0.082 0.000 2.133 128 Y HA 0.244 4.794 4.550 -0.001 0.000 0.287 128 Y C 3.065 178.992 175.900 0.044 0.000 1.134 128 Y CA -0.085 58.065 58.100 0.082 0.000 1.133 128 Y CB -1.583 36.942 38.460 0.109 0.000 0.987 128 Y HN 0.350 nan 8.280 nan 0.000 0.502 129 A N 0.927 123.854 122.820 0.178 0.000 1.884 129 A HA -0.213 4.106 4.320 -0.001 0.000 0.219 129 A C 0.153 177.777 177.584 0.066 0.000 1.197 129 A CA 2.325 54.422 52.037 0.100 0.000 0.637 129 A CB -1.995 17.041 19.000 0.059 0.000 0.827 129 A HN 0.339 nan 8.150 nan 0.000 0.450 130 P HA -0.123 nan 4.420 nan 0.000 0.215 130 P C 1.784 179.132 177.300 0.080 0.000 1.153 130 P CA 1.992 65.126 63.100 0.057 0.000 0.853 130 P CB -0.147 31.582 31.700 0.047 0.000 0.788 131 A N -0.732 122.143 122.820 0.092 0.000 1.902 131 A HA -0.182 4.137 4.320 -0.001 0.000 0.217 131 A C 2.195 179.738 177.584 -0.068 0.000 1.181 131 A CA 1.481 53.511 52.037 -0.011 0.000 0.623 131 A CB -1.645 17.316 19.000 -0.066 0.000 0.818 131 A HN 0.112 nan 8.150 nan 0.000 0.443 132 I N -0.256 120.311 120.570 -0.005 0.000 2.286 132 I HA -0.280 3.889 4.170 -0.001 0.000 0.248 132 I C 2.912 179.027 176.117 -0.003 0.000 1.115 132 I CA 1.065 62.361 61.300 -0.008 0.000 1.392 132 I CB -0.299 37.717 38.000 0.026 0.000 1.065 132 I HN 0.359 nan 8.210 nan 0.000 0.418 133 A N 0.715 123.544 122.820 0.015 0.000 1.930 133 A HA -0.094 4.225 4.320 -0.001 0.000 0.217 133 A C 2.266 179.861 177.584 0.019 0.000 1.175 133 A CA 1.146 53.194 52.037 0.018 0.000 0.627 133 A CB -0.705 18.311 19.000 0.026 0.000 0.815 133 A HN 0.385 nan 8.150 nan 0.000 0.443 134 L N -0.485 120.753 121.223 0.026 0.000 2.275 134 L HA -0.068 4.271 4.340 -0.001 0.000 0.215 134 L C 1.938 178.815 176.870 0.013 0.000 1.119 134 L CA 1.045 55.909 54.840 0.040 0.000 0.790 134 L CB -0.084 42.035 42.059 0.100 0.000 0.919 134 L HN 0.257 nan 8.230 nan 0.000 0.443 135 S N -0.544 115.143 115.700 -0.021 0.000 2.577 135 S HA 0.204 4.673 4.470 -0.001 0.000 0.219 135 S C 1.254 175.848 174.600 -0.009 0.000 0.962 135 S CA 0.559 58.743 58.200 -0.027 0.000 0.921 135 S CB 0.458 63.620 63.200 -0.063 0.000 0.789 135 S HN 0.601 nan 8.310 nan 0.000 0.497 136 G N 1.488 110.288 108.800 -0.001 0.000 2.176 136 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.252 136 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.252 136 G C 0.241 175.143 174.900 0.002 0.000 1.024 136 G CA -0.135 44.968 45.100 0.004 0.000 0.755 136 G HN 0.756 nan 8.290 nan 0.000 0.507 137 G N -0.981 107.819 108.800 0.000 0.000 2.451 137 G HA2 0.641 4.600 3.960 -0.001 0.000 0.303 137 G HA3 0.641 4.600 3.960 -0.001 0.000 0.303 137 G C -0.106 174.796 174.900 0.003 0.000 1.166 137 G CA -0.862 44.239 45.100 0.002 0.000 0.884 137 G HN 0.372 nan 8.290 nan 0.000 0.514 138 I N 1.347 121.917 120.570 0.000 0.000 2.339 138 I HA 0.213 4.382 4.170 -0.001 0.000 0.290 138 I C 0.181 176.294 176.117 -0.008 0.000 0.994 138 I CA -0.816 60.482 61.300 -0.003 0.000 1.191 138 I CB 1.192 39.188 38.000 -0.008 0.000 1.343 138 I HN 0.007 nan 8.210 nan 0.000 0.458 139 V N 7.409 127.321 119.914 -0.003 0.000 2.530 139 V HA 0.284 4.403 4.120 -0.001 0.000 0.282 139 V C 0.412 176.490 176.094 -0.025 0.000 1.048 139 V CA -0.562 61.734 62.300 -0.006 0.000 0.997 139 V CB 0.899 32.732 31.823 0.016 0.000 0.987 139 V HN 0.519 nan 8.190 nan 0.000 0.477 140 K N 5.514 125.881 120.400 -0.055 0.000 2.507 140 K HA 0.491 4.810 4.320 -0.001 0.000 0.253 140 K C -0.393 176.143 176.600 -0.107 0.000 0.969 140 K CA -0.390 55.848 56.287 -0.082 0.000 0.908 140 K CB 1.759 34.189 32.500 -0.117 0.000 1.127 140 K HN 0.586 nan 8.250 nan 0.000 0.437 141 R N 2.406 122.865 120.500 -0.068 0.000 2.428 141 R HA 0.471 4.810 4.340 -0.001 0.000 0.294 141 R C 0.180 176.442 176.300 -0.063 0.000 1.000 141 R CA -0.573 55.490 56.100 -0.060 0.000 0.960 141 R CB 1.188 31.496 30.300 0.013 0.000 1.076 141 R HN 0.316 nan 8.270 nan 0.000 0.475 142 M N 1.825 121.374 119.600 -0.084 0.000 2.268 142 M HA 0.318 4.797 4.480 -0.001 0.000 0.344 142 M C -0.344 176.024 176.300 0.113 0.000 1.106 142 M CA -0.671 54.624 55.300 -0.007 0.000 1.010 142 M CB 2.033 34.620 32.600 -0.022 0.000 1.649 142 M HN 0.638 nan 8.290 nan 0.000 0.443 143 A N 5.609 128.503 122.820 0.122 0.000 2.366 143 A HA 0.569 4.888 4.320 -0.001 0.000 0.322 143 A C -0.104 177.594 177.584 0.189 0.000 1.397 143 A CA -0.565 51.580 52.037 0.180 0.000 0.984 143 A CB -0.100 19.008 19.000 0.179 0.000 1.149 143 A HN 0.910 nan 8.150 nan 0.000 0.540 144 L N 2.580 123.947 121.223 0.240 0.000 2.455 144 L HA 0.110 4.449 4.340 -0.001 0.000 0.272 144 L C 0.238 177.217 176.870 0.182 0.000 1.174 144 L CA -0.127 54.837 54.840 0.208 0.000 0.869 144 L CB 0.410 42.640 42.059 0.286 0.000 1.130 144 L HN 0.615 nan 8.230 nan 0.000 0.474 145 Q N 4.803 124.559 119.800 -0.073 0.000 2.256 145 Q HA 0.433 4.772 4.340 -0.001 0.000 0.257 145 Q C -2.233 173.261 176.000 -0.844 0.000 0.936 145 Q CA -1.985 53.650 55.803 -0.281 0.000 0.903 145 Q CB 1.698 30.342 28.738 -0.156 0.000 1.263 145 Q HN 0.338 nan 8.270 nan 0.000 0.440 146 P HA 0.126 nan 4.420 nan 0.000 0.272 146 P C -1.920 174.979 177.300 -0.668 0.000 1.240 146 P CA -0.935 61.349 63.100 -1.360 0.000 0.791 146 P CB 0.617 31.763 31.700 -0.922 0.000 0.978 147 P HA 0.000 nan 4.420 nan 0.000 0.234 147 P C 0.802 177.848 177.300 -0.424 0.000 1.175 147 P CA 1.265 64.066 63.100 -0.499 0.000 0.801 147 P CB -0.018 31.396 31.700 -0.476 0.000 0.891 148 H N -1.651 117.322 119.070 -0.162 0.000 2.563 148 H HA 0.242 4.797 4.556 -0.001 0.000 0.264 148 H C 0.074 175.458 175.328 0.093 0.000 0.957 148 H CA -0.124 55.926 56.048 0.004 0.000 1.173 148 H CB -0.742 28.996 29.762 -0.040 0.000 1.420 148 H HN -0.129 nan 8.280 nan 0.000 0.551 149 F N 1.043 120.996 119.950 0.005 0.000 3.019 149 F HA -0.286 4.241 4.527 -0.001 0.000 0.259 149 F C 0.449 176.166 175.800 -0.138 0.000 0.976 149 F CA 0.132 58.101 58.000 -0.052 0.000 0.876 149 F CB -1.221 37.750 39.000 -0.049 0.000 0.784 149 F HN 0.165 nan 8.300 nan 0.000 0.786 150 R N 0.157 120.629 120.500 -0.046 0.000 2.490 150 R HA 0.503 4.843 4.340 -0.001 0.000 0.278 150 R C -0.045 176.058 176.300 -0.328 0.000 1.069 150 R CA -0.751 55.229 56.100 -0.200 0.000 1.080 150 R CB 0.969 31.169 30.300 -0.166 0.000 1.030 150 R HN -0.006 nan 8.270 nan 0.000 0.491 151 V N 3.035 122.586 119.914 -0.605 0.000 2.521 151 V HA -0.051 4.068 4.120 -0.001 0.000 0.286 151 V C 0.742 176.373 176.094 -0.771 0.000 1.034 151 V CA 0.004 61.815 62.300 -0.816 0.000 1.045 151 V CB 0.703 31.597 31.823 -1.548 0.000 0.974 151 V HN 0.524 nan 8.190 nan 0.000 0.480 152 D N 4.464 124.590 120.400 -0.457 0.000 2.453 152 D HA 0.082 4.721 4.640 -0.001 0.000 0.223 152 D C 0.679 176.839 176.300 -0.232 0.000 1.183 152 D CA -0.305 53.536 54.000 -0.265 0.000 0.933 152 D CB 0.446 41.184 40.800 -0.103 0.000 1.038 152 D HN 0.605 nan 8.370 nan 0.000 0.513 153 W N 2.204 123.495 121.300 -0.015 0.000 2.387 153 W HA -0.150 4.509 4.660 -0.001 0.000 0.272 153 W C 2.183 178.762 176.519 0.101 0.000 1.224 153 W CA 0.166 57.525 57.345 0.023 0.000 1.210 153 W CB 0.142 29.558 29.460 -0.074 0.000 1.125 153 W HN 0.485 nan 8.180 nan 0.000 0.572 154 Q N -0.196 119.738 119.800 0.224 0.000 2.137 154 Q HA -0.172 4.167 4.340 -0.001 0.000 0.198 154 Q C 2.031 178.108 176.000 0.127 0.000 0.960 154 Q CA 1.263 57.161 55.803 0.159 0.000 0.847 154 Q CB -0.326 28.468 28.738 0.093 0.000 0.915 154 Q HN 0.426 nan 8.270 nan 0.000 0.448 155 E N 0.443 120.701 120.200 0.097 0.000 2.106 155 E HA -0.185 4.164 4.350 -0.001 0.000 0.192 155 E C 1.641 178.292 176.600 0.086 0.000 0.984 155 E CA 0.557 56.993 56.400 0.060 0.000 0.806 155 E CB -0.029 29.688 29.700 0.028 0.000 0.750 155 E HN 0.277 nan 8.360 nan 0.000 0.458 156 F N 1.397 121.352 119.950 0.010 0.000 2.046 156 F HA -0.194 4.332 4.527 -0.002 0.000 0.297 156 F C 2.201 178.043 175.800 0.070 0.000 1.123 156 F CA 1.926 59.956 58.000 0.050 0.000 1.199 156 F CB -0.633 38.467 39.000 0.168 0.000 0.972 156 F HN 0.091 nan 8.300 nan 0.000 0.474 157 A N 0.457 123.473 122.820 0.327 0.000 1.958 157 A HA -0.223 4.096 4.320 -0.001 0.000 0.221 157 A C 2.321 179.894 177.584 -0.020 0.000 1.178 157 A CA 2.144 54.274 52.037 0.156 0.000 0.642 157 A CB -1.680 17.431 19.000 0.185 0.000 0.816 157 A HN 0.583 nan 8.150 nan 0.000 0.453 158 A N -0.991 121.820 122.820 -0.015 0.000 2.066 158 A HA 0.160 4.479 4.320 -0.001 0.000 0.218 158 A C 1.996 179.518 177.584 -0.103 0.000 1.157 158 A CA 1.143 53.154 52.037 -0.043 0.000 0.670 158 A CB -0.399 18.590 19.000 -0.017 0.000 0.804 158 A HN 0.482 nan 8.150 nan 0.000 0.453 159 L N -0.401 120.707 121.223 -0.191 0.000 2.418 159 L HA 0.126 4.465 4.340 -0.001 0.000 0.218 159 L C 0.429 177.140 176.870 -0.265 0.000 1.125 159 L CA -0.190 54.508 54.840 -0.236 0.000 0.835 159 L CB -0.270 41.599 42.059 -0.317 0.000 0.953 159 L HN 0.295 nan 8.230 nan 0.000 0.454 160 L N -0.110 120.930 121.223 -0.306 0.000 2.461 160 L HA 0.073 4.412 4.340 -0.001 0.000 0.272 160 L C 0.594 177.389 176.870 -0.125 0.000 1.197 160 L CA 0.268 54.953 54.840 -0.258 0.000 0.836 160 L CB 0.775 42.660 42.059 -0.291 0.000 1.105 160 L HN 0.218 nan 8.230 nan 0.000 0.477 161 S N -0.166 115.486 115.700 -0.079 0.000 2.752 161 S HA 0.205 4.674 4.470 -0.001 0.000 0.284 161 S C 0.196 174.805 174.600 0.014 0.000 1.189 161 S CA -0.377 57.807 58.200 -0.026 0.000 0.835 161 S CB 1.348 64.525 63.200 -0.038 0.000 1.192 161 S HN 0.732 nan 8.310 nan 0.000 0.506 162 E N 0.020 120.229 120.200 0.016 0.000 2.482 162 E HA 0.111 4.460 4.350 -0.001 0.000 0.196 162 E C 1.417 178.027 176.600 0.017 0.000 1.047 162 E CA 0.148 56.563 56.400 0.025 0.000 0.869 162 E CB -0.140 29.566 29.700 0.009 0.000 0.836 162 E HN 0.558 nan 8.360 nan 0.000 0.520 163 R N 0.355 120.858 120.500 0.005 0.000 2.312 163 R HA 0.127 4.466 4.340 -0.001 0.000 0.205 163 R C -0.030 176.272 176.300 0.002 0.000 0.904 163 R CA 0.176 56.278 56.100 0.004 0.000 1.052 163 R CB 0.540 30.838 30.300 -0.003 0.000 1.014 163 R HN 0.023 nan 8.270 nan 0.000 0.503 164 T N 1.150 115.698 114.554 -0.010 0.000 2.765 164 T HA 0.012 4.361 4.350 -0.001 0.000 0.284 164 T C 0.900 175.609 174.700 0.015 0.000 0.946 164 T CA 0.374 62.460 62.100 -0.023 0.000 1.185 164 T CB 1.037 69.860 68.868 -0.074 0.000 0.887 164 T HN 0.147 nan 8.240 nan 0.000 0.532 165 R N 2.563 123.088 120.500 0.041 0.000 2.221 165 R HA 0.443 4.783 4.340 -0.001 0.000 0.195 165 R C -0.124 176.270 176.300 0.158 0.000 0.956 165 R CA 0.293 56.453 56.100 0.101 0.000 1.064 165 R CB 0.235 30.606 30.300 0.118 0.000 1.049 165 R HN 0.522 nan 8.270 nan 0.000 0.534 166 L N -0.468 120.825 121.223 0.116 0.000 2.518 166 L HA 0.591 4.930 4.340 -0.001 0.000 0.257 166 L C -1.837 175.099 176.870 0.110 0.000 0.980 166 L CA -0.929 53.998 54.840 0.145 0.000 0.837 166 L CB 2.503 44.642 42.059 0.133 0.000 1.410 166 L HN -0.200 nan 8.230 nan 0.000 0.410 167 V N 5.021 125.027 119.914 0.152 0.000 2.444 167 V HA 0.525 4.645 4.120 -0.001 0.000 0.294 167 V C -0.299 175.879 176.094 0.139 0.000 1.022 167 V CA -0.309 62.107 62.300 0.193 0.000 0.850 167 V CB 1.583 33.622 31.823 0.361 0.000 0.992 167 V HN 0.591 nan 8.190 nan 0.000 0.426 168 I N 6.790 127.411 120.570 0.086 0.000 2.330 168 I HA 0.519 4.689 4.170 -0.001 0.000 0.289 168 I C -0.549 175.619 176.117 0.084 0.000 1.001 168 I CA -0.544 60.728 61.300 -0.047 0.000 1.193 168 I CB 1.472 39.312 38.000 -0.266 0.000 1.345 168 I HN 0.528 nan 8.210 nan 0.000 0.461 169 L N 4.282 125.494 121.223 -0.019 0.000 2.341 169 L HA 0.653 4.992 4.340 -0.001 0.000 0.267 169 L C -0.722 176.053 176.870 -0.159 0.000 1.009 169 L CA -0.557 54.247 54.840 -0.060 0.000 0.819 169 L CB 1.830 43.600 42.059 -0.482 0.000 1.323 169 L HN 0.506 nan 8.230 nan 0.000 0.425 170 N N 0.241 118.918 118.700 -0.039 0.000 2.491 170 N HA 0.499 5.238 4.740 -0.001 0.000 0.274 170 N C -1.590 173.948 175.510 0.046 0.000 1.023 170 N CA -0.131 52.961 53.050 0.070 0.000 0.902 170 N CB 1.392 40.066 38.487 0.311 0.000 1.267 170 N HN 0.892 nan 8.380 nan 0.000 0.503 171 T N 3.480 118.014 114.554 -0.033 0.000 3.109 171 T HA 0.396 4.745 4.350 -0.001 0.000 0.311 171 T C -2.901 171.899 174.700 0.167 0.000 1.011 171 T CA -1.218 60.913 62.100 0.052 0.000 1.026 171 T CB 1.495 70.298 68.868 -0.107 0.000 1.047 171 T HN 0.274 nan 8.240 nan 0.000 0.448 172 P HA 0.117 nan 4.420 nan 0.000 0.268 172 P C -0.979 176.399 177.300 0.131 0.000 1.208 172 P CA -0.031 63.147 63.100 0.130 0.000 0.777 172 P CB 0.194 31.910 31.700 0.028 0.000 0.875 173 H N 2.315 121.392 119.070 0.012 0.000 2.782 173 H HA 0.250 4.805 4.556 -0.001 0.000 0.285 173 H C -0.087 175.175 175.328 -0.110 0.000 1.093 173 H CA -0.191 55.847 56.048 -0.018 0.000 1.410 173 H CB -0.309 29.441 29.762 -0.019 0.000 1.439 173 H HN 0.143 nan 8.280 nan 0.000 0.469 174 N N 6.158 124.530 118.700 -0.546 0.000 2.426 174 N HA 0.167 4.906 4.740 -0.001 0.000 0.275 174 N C -2.180 172.769 175.510 -0.936 0.000 1.019 174 N CA -2.367 50.328 53.050 -0.591 0.000 0.941 174 N CB 1.632 39.984 38.487 -0.225 0.000 1.123 174 N HN 0.414 nan 8.380 nan 0.000 0.486 175 P HA 0.060 nan 4.420 nan 0.000 0.267 175 P C 0.602 177.517 177.300 -0.641 0.000 1.289 175 P CA 0.224 62.727 63.100 -0.995 0.000 0.866 175 P CB 0.284 31.025 31.700 -1.598 0.000 1.309 176 S N 0.716 116.124 115.700 -0.487 0.000 2.447 176 S HA 0.086 4.556 4.470 -0.001 0.000 0.233 176 S C 1.527 175.979 174.600 -0.246 0.000 1.006 176 S CA 0.935 58.814 58.200 -0.535 0.000 0.957 176 S CB -1.183 61.470 63.200 -0.912 0.000 0.773 176 S HN 0.243 nan 8.310 nan 0.000 0.507 177 A N 0.178 122.933 122.820 -0.108 0.000 2.945 177 A HA -0.120 4.199 4.320 -0.001 0.000 0.251 177 A C 0.709 178.343 177.584 0.084 0.000 1.355 177 A CA 1.031 53.079 52.037 0.018 0.000 0.905 177 A CB -2.949 16.112 19.000 0.102 0.000 1.104 177 A HN 1.371 nan 8.150 nan 0.000 0.733 178 T N -2.047 112.560 114.554 0.088 0.000 2.936 178 T HA 0.852 5.201 4.350 -0.001 0.000 0.282 178 T C 0.249 175.042 174.700 0.154 0.000 1.003 178 T CA -0.157 62.021 62.100 0.130 0.000 1.005 178 T CB 2.036 70.982 68.868 0.130 0.000 1.097 178 T HN 1.900 nan 8.240 nan 0.000 0.532 179 V N -2.670 117.335 119.914 0.153 0.000 3.102 179 V HA 0.762 4.882 4.120 -0.001 0.000 0.312 179 V C -1.546 174.672 176.094 0.205 0.000 1.135 179 V CA -1.582 60.836 62.300 0.197 0.000 1.022 179 V CB 1.423 33.346 31.823 0.166 0.000 1.056 179 V HN 0.959 nan 8.190 nan 0.000 0.436 180 W N 1.468 122.707 121.300 -0.102 0.000 2.315 180 W HA 0.650 5.309 4.660 -0.001 0.000 0.316 180 W C 0.338 176.791 176.519 -0.110 0.000 1.211 180 W CA 0.019 57.234 57.345 -0.216 0.000 1.201 180 W CB 1.112 30.264 29.460 -0.512 0.000 1.184 180 W HN 0.600 nan 8.180 nan 0.000 0.544 181 Q N 1.521 121.363 119.800 0.070 0.000 2.193 181 Q HA 0.106 4.445 4.340 -0.001 0.000 0.246 181 Q C 1.181 177.288 176.000 0.179 0.000 0.959 181 Q CA -0.541 55.323 55.803 0.102 0.000 0.904 181 Q CB 1.146 29.909 28.738 0.042 0.000 1.238 181 Q HN 0.588 nan 8.270 nan 0.000 0.469 182 Q N 0.839 120.761 119.800 0.203 0.000 2.133 182 Q HA -0.246 4.093 4.340 -0.001 0.000 0.208 182 Q C 1.603 177.734 176.000 0.217 0.000 0.991 182 Q CA 2.068 58.025 55.803 0.257 0.000 0.867 182 Q CB -0.052 28.773 28.738 0.145 0.000 0.911 182 Q HN 0.772 nan 8.270 nan 0.000 0.417 183 A N 0.806 123.691 122.820 0.108 0.000 1.978 183 A HA -0.226 4.093 4.320 -0.001 0.000 0.220 183 A C 1.599 179.178 177.584 -0.008 0.000 1.170 183 A CA 1.766 53.830 52.037 0.044 0.000 0.636 183 A CB -0.417 18.591 19.000 0.012 0.000 0.810 183 A HN 0.399 nan 8.150 nan 0.000 0.448 184 D N -0.931 119.462 120.400 -0.011 0.000 2.117 184 D HA -0.098 4.542 4.640 -0.001 0.000 0.198 184 D C 1.591 177.855 176.300 -0.060 0.000 0.982 184 D CA 1.099 55.034 54.000 -0.109 0.000 0.828 184 D CB -0.313 40.245 40.800 -0.404 0.000 0.967 184 D HN 0.567 nan 8.370 nan 0.000 0.464 185 F N 1.560 121.645 119.950 0.225 0.000 2.234 185 F HA -0.074 4.452 4.527 -0.002 0.000 0.299 185 F C 2.566 178.369 175.800 0.004 0.000 1.087 185 F CA 0.704 58.816 58.000 0.186 0.000 1.340 185 F CB -0.157 38.939 39.000 0.159 0.000 1.031 185 F HN -0.093 nan 8.300 nan 0.000 0.500 186 A N 0.086 123.039 122.820 0.222 0.000 1.933 186 A HA -0.098 4.221 4.320 -0.001 0.000 0.218 186 A C 2.356 179.900 177.584 -0.068 0.000 1.175 186 A CA 1.663 53.809 52.037 0.182 0.000 0.628 186 A CB -1.158 17.919 19.000 0.128 0.000 0.814 186 A HN 0.307 nan 8.150 nan 0.000 0.444 187 A N -0.559 122.027 122.820 -0.391 0.000 1.930 187 A HA 0.045 4.364 4.320 -0.001 0.000 0.217 187 A C 2.103 179.018 177.584 -1.115 0.000 1.175 187 A CA 1.592 53.092 52.037 -0.895 0.000 0.627 187 A CB -0.546 17.480 19.000 -1.622 0.000 0.815 187 A HN 0.713 nan 8.150 nan 0.000 0.443 188 L N -0.778 119.865 121.223 -0.966 0.000 2.046 188 L HA -0.126 4.213 4.340 -0.001 0.000 0.208 188 L C 2.259 179.002 176.870 -0.212 0.000 1.077 188 L CA 2.154 56.647 54.840 -0.578 0.000 0.747 188 L CB -0.747 41.342 42.059 0.050 0.000 0.896 188 L HN 0.691 nan 8.230 nan 0.000 0.432 189 W N 0.145 121.279 121.300 -0.276 0.000 2.358 189 W HA -0.208 4.451 4.660 -0.002 0.000 0.303 189 W C 2.076 178.526 176.519 -0.116 0.000 1.208 189 W CA 1.415 58.642 57.345 -0.197 0.000 1.274 189 W CB -0.072 29.232 29.460 -0.259 0.000 1.138 189 W HN 0.324 nan 8.180 nan 0.000 0.515 190 Q N 0.403 120.036 119.800 -0.278 0.000 2.124 190 Q HA -0.149 4.190 4.340 -0.001 0.000 0.202 190 Q C 2.391 178.209 176.000 -0.303 0.000 0.977 190 Q CA 1.832 57.446 55.803 -0.316 0.000 0.850 190 Q CB -0.881 27.748 28.738 -0.181 0.000 0.901 190 Q HN 0.399 nan 8.270 nan 0.000 0.429 191 A N 1.072 123.734 122.820 -0.265 0.000 1.970 191 A HA -0.037 4.282 4.320 -0.001 0.000 0.216 191 A C 1.904 179.419 177.584 -0.115 0.000 1.170 191 A CA 0.983 52.961 52.037 -0.099 0.000 0.645 191 A CB -0.290 18.745 19.000 0.059 0.000 0.816 191 A HN 0.466 nan 8.150 nan 0.000 0.447 192 I N -5.082 115.376 120.570 -0.186 0.000 4.082 192 I HA 0.473 4.642 4.170 -0.001 0.000 0.337 192 I C 1.843 177.797 176.117 -0.272 0.000 1.352 192 I CA 0.586 61.781 61.300 -0.175 0.000 1.097 192 I CB 0.047 38.034 38.000 -0.022 0.000 1.048 192 I HN 0.071 nan 8.210 nan 0.000 0.393 193 A N 2.341 124.751 122.820 -0.684 0.000 1.884 193 A HA -0.165 4.154 4.320 -0.001 0.000 0.219 193 A C 2.139 179.481 177.584 -0.403 0.000 1.197 193 A CA 2.195 53.582 52.037 -1.083 0.000 0.637 193 A CB -1.561 16.652 19.000 -1.312 0.000 0.827 193 A HN 0.583 nan 8.150 nan 0.000 0.450 194 G N -1.589 107.112 108.800 -0.164 0.000 3.279 194 G HA2 0.389 4.348 3.960 -0.001 0.000 0.230 194 G HA3 0.389 4.348 3.960 -0.001 0.000 0.230 194 G C -0.011 174.719 174.900 -0.284 0.000 1.230 194 G CA 0.056 45.050 45.100 -0.176 0.000 0.891 194 G HN 0.655 nan 8.290 nan 0.000 0.518 195 H N -1.731 117.245 119.070 -0.157 0.000 2.834 195 H HA 0.413 4.968 4.556 -0.001 0.000 0.369 195 H C -0.582 174.661 175.328 -0.141 0.000 1.174 195 H CA -1.058 54.919 56.048 -0.119 0.000 1.165 195 H CB 1.581 31.286 29.762 -0.094 0.000 1.820 195 H HN 0.068 nan 8.280 nan 0.000 0.558 196 E N 1.588 121.780 120.200 -0.013 0.000 2.261 196 E HA 0.223 4.572 4.350 -0.001 0.000 0.308 196 E C -0.787 175.684 176.600 -0.214 0.000 1.400 196 E CA -0.068 56.243 56.400 -0.148 0.000 1.542 196 E CB -0.405 29.234 29.700 -0.102 0.000 1.369 196 E HN 0.343 nan 8.360 nan 0.000 0.493 197 I N 2.366 122.817 120.570 -0.199 0.000 2.378 197 I HA 0.277 4.446 4.170 -0.001 0.000 0.291 197 I C -0.362 175.639 176.117 -0.193 0.000 0.992 197 I CA -0.818 60.401 61.300 -0.135 0.000 1.154 197 I CB 0.874 38.871 38.000 -0.004 0.000 1.315 197 I HN 0.125 nan 8.210 nan 0.000 0.448 198 F N 5.227 125.222 119.950 0.075 0.000 2.378 198 F HA 0.527 5.054 4.527 -0.001 0.000 0.325 198 F C 0.286 176.129 175.800 0.071 0.000 1.097 198 F CA -0.576 57.464 58.000 0.067 0.000 1.079 198 F CB 1.331 40.356 39.000 0.042 0.000 1.240 198 F HN -0.003 nan 8.300 nan 0.000 0.519 199 V N 3.668 123.746 119.914 0.274 0.000 2.588 199 V HA 0.440 4.559 4.120 -0.001 0.000 0.304 199 V C -0.368 175.780 176.094 0.090 0.000 1.042 199 V CA -0.785 61.612 62.300 0.162 0.000 0.877 199 V CB 1.955 33.861 31.823 0.138 0.000 0.996 199 V HN 0.499 nan 8.190 nan 0.000 0.425 200 I N 3.115 123.704 120.570 0.031 0.000 2.389 200 I HA 0.399 4.568 4.170 -0.001 0.000 0.288 200 I C -0.079 175.988 176.117 -0.083 0.000 0.999 200 I CA -0.144 61.135 61.300 -0.035 0.000 1.129 200 I CB 1.992 39.953 38.000 -0.065 0.000 1.288 200 I HN 0.579 nan 8.210 nan 0.000 0.444 201 S N 5.017 120.661 115.700 -0.093 0.000 2.520 201 S HA 0.171 4.640 4.470 -0.001 0.000 0.324 201 S C -0.487 174.035 174.600 -0.130 0.000 1.069 201 S CA -0.644 57.480 58.200 -0.127 0.000 1.121 201 S CB 0.383 63.519 63.200 -0.107 0.000 0.971 201 S HN 0.534 nan 8.310 nan 0.000 0.463 202 D N 4.075 124.397 120.400 -0.129 0.000 2.374 202 D HA 0.110 4.749 4.640 -0.001 0.000 0.240 202 D C 0.123 176.357 176.300 -0.111 0.000 1.229 202 D CA 0.068 54.008 54.000 -0.100 0.000 0.895 202 D CB 0.501 41.305 40.800 0.007 0.000 1.046 202 D HN 0.638 nan 8.370 nan 0.000 0.498 203 E N 2.624 122.722 120.200 -0.169 0.000 2.609 203 E HA 0.034 4.383 4.350 -0.001 0.000 0.208 203 E C 1.800 178.196 176.600 -0.340 0.000 1.013 203 E CA -0.109 56.182 56.400 -0.181 0.000 1.093 203 E CB 0.769 30.392 29.700 -0.128 0.000 1.129 203 E HN 0.413 nan 8.360 nan 0.000 0.450 204 V N -1.695 117.976 119.914 -0.405 0.000 2.568 204 V HA -0.255 3.864 4.120 -0.001 0.000 0.253 204 V C 1.202 176.901 176.094 -0.658 0.000 1.072 204 V CA 1.378 63.330 62.300 -0.580 0.000 1.084 204 V CB -0.790 30.619 31.823 -0.689 0.000 0.676 204 V HN 0.305 nan 8.190 nan 0.000 0.469 205 Y N 2.228 122.330 120.300 -0.330 0.000 2.645 205 Y HA 0.277 4.826 4.550 -0.002 0.000 0.307 205 Y C 2.192 177.861 175.900 -0.386 0.000 1.151 205 Y CA -0.121 57.769 58.100 -0.351 0.000 1.291 205 Y CB -0.870 37.376 38.460 -0.357 0.000 1.135 205 Y HN 0.545 nan 8.280 nan 0.000 0.523 206 E N -0.760 119.149 120.200 -0.485 0.000 2.267 206 E HA -0.254 4.095 4.350 -0.001 0.000 0.197 206 E C 0.333 176.524 176.600 -0.682 0.000 0.998 206 E CA 1.829 57.676 56.400 -0.921 0.000 0.830 206 E CB -0.441 28.646 29.700 -1.021 0.000 0.751 206 E HN 0.655 nan 8.360 nan 0.000 0.491 207 H N -0.079 118.865 119.070 -0.210 0.000 2.520 207 H HA 0.347 4.902 4.556 -0.002 0.000 0.284 207 H C 0.108 175.459 175.328 0.038 0.000 1.037 207 H CA -0.254 55.768 56.048 -0.043 0.000 1.168 207 H CB 0.454 30.231 29.762 0.026 0.000 1.497 207 H HN 0.104 nan 8.280 nan 0.000 0.547 208 I N 1.292 121.871 120.570 0.015 0.000 2.934 208 I HA 0.121 4.290 4.170 -0.001 0.000 0.312 208 I C -0.460 175.403 176.117 -0.423 0.000 1.342 208 I CA -0.301 60.924 61.300 -0.125 0.000 0.946 208 I CB 0.318 38.221 38.000 -0.163 0.000 2.034 208 I HN 0.181 nan 8.210 nan 0.000 0.604 209 N N 1.517 120.030 118.700 -0.312 0.000 2.399 209 N HA 0.374 5.113 4.740 -0.001 0.000 0.280 209 N C 0.123 175.492 175.510 -0.236 0.000 1.008 209 N CA -0.543 52.345 53.050 -0.271 0.000 0.894 209 N CB 1.057 39.582 38.487 0.064 0.000 1.273 209 N HN 0.080 nan 8.380 nan 0.000 0.486 210 F N 1.021 121.078 119.950 0.177 0.000 2.797 210 F HA 0.133 4.659 4.527 -0.002 0.000 0.302 210 F C 1.418 177.296 175.800 0.131 0.000 1.130 210 F CA -0.470 57.623 58.000 0.155 0.000 1.387 210 F CB -0.675 38.408 39.000 0.138 0.000 1.107 210 F HN 0.330 nan 8.300 nan 0.000 0.577 211 S N -0.192 115.649 115.700 0.235 0.000 2.576 211 S HA 0.068 4.537 4.470 -0.001 0.000 0.276 211 S C 1.162 175.860 174.600 0.164 0.000 1.339 211 S CA -0.554 57.757 58.200 0.184 0.000 1.039 211 S CB 1.407 64.697 63.200 0.150 0.000 0.902 211 S HN 0.283 nan 8.310 nan 0.000 0.516 212 Q N 1.345 121.226 119.800 0.136 0.000 2.230 212 Q HA -0.078 4.261 4.340 -0.001 0.000 0.202 212 Q C 1.995 178.062 176.000 0.112 0.000 0.963 212 Q CA 1.570 57.444 55.803 0.119 0.000 0.866 212 Q CB -0.416 28.379 28.738 0.095 0.000 0.931 212 Q HN 0.900 nan 8.270 nan 0.000 0.452 213 Q N -0.381 119.486 119.800 0.110 0.000 2.226 213 Q HA 0.069 4.408 4.340 -0.001 0.000 0.204 213 Q C 0.735 176.808 176.000 0.122 0.000 0.975 213 Q CA 0.567 56.432 55.803 0.104 0.000 0.866 213 Q CB -0.230 28.566 28.738 0.097 0.000 0.915 213 Q HN 0.424 nan 8.270 nan 0.000 0.440 214 G N 0.981 109.867 108.800 0.144 0.000 2.795 214 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.664 214 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.664 214 G C -0.980 174.037 174.900 0.196 0.000 1.381 214 G CA -0.272 44.934 45.100 0.177 0.000 0.853 214 G HN 0.520 nan 8.290 nan 0.000 0.545 215 H N 0.385 119.545 119.070 0.150 0.000 2.929 215 H HA 0.563 5.118 4.556 -0.001 0.000 0.317 215 H C 0.738 176.173 175.328 0.177 0.000 1.031 215 H CA 0.916 57.053 56.048 0.149 0.000 1.466 215 H CB 0.628 30.473 29.762 0.138 0.000 1.482 215 H HN 1.169 nan 8.280 nan 0.000 0.561 216 A N 4.891 127.490 122.820 -0.368 0.000 2.260 216 A HA 0.393 4.713 4.320 -0.001 0.000 0.312 216 A C 0.032 177.321 177.584 -0.492 0.000 1.321 216 A CA -0.307 51.610 52.037 -0.200 0.000 0.928 216 A CB 0.217 19.306 19.000 0.148 0.000 1.158 216 A HN 0.693 nan 8.150 nan 0.000 0.542 217 S N 1.800 117.156 115.700 -0.573 0.000 2.608 217 S HA 0.326 4.796 4.470 -0.001 0.000 0.291 217 S C 1.079 175.072 174.600 -1.011 0.000 1.146 217 S CA -0.080 57.715 58.200 -0.674 0.000 1.043 217 S CB 1.558 64.231 63.200 -0.879 0.000 1.037 217 S HN 1.206 nan 8.310 nan 0.000 0.520 218 V N 5.003 124.321 119.914 -0.993 0.000 2.759 218 V HA 0.002 4.121 4.120 -0.001 0.000 0.256 218 V C 1.656 177.394 176.094 -0.594 0.000 1.080 218 V CA 1.723 63.414 62.300 -1.014 0.000 1.101 218 V CB -0.667 30.866 31.823 -0.483 0.000 0.698 218 V HN 0.847 nan 8.190 nan 0.000 0.477 219 L N 0.104 121.010 121.223 -0.530 0.000 2.465 219 L HA 0.063 4.402 4.340 -0.001 0.000 0.224 219 L C 2.416 179.105 176.870 -0.303 0.000 1.145 219 L CA 0.969 55.605 54.840 -0.340 0.000 0.834 219 L CB -0.621 41.347 42.059 -0.152 0.000 0.944 219 L HN 0.412 nan 8.230 nan 0.000 0.451 220 A N -2.067 120.524 122.820 -0.381 0.000 2.178 220 A HA -0.055 4.264 4.320 -0.001 0.000 0.211 220 A C 0.922 178.381 177.584 -0.208 0.000 1.157 220 A CA 0.135 52.055 52.037 -0.195 0.000 0.780 220 A CB -0.299 18.609 19.000 -0.154 0.000 0.828 220 A HN 0.294 nan 8.150 nan 0.000 0.476 221 H N 0.439 119.288 119.070 -0.370 0.000 2.640 221 H HA 0.285 4.840 4.556 -0.001 0.000 0.297 221 H C -2.125 172.978 175.328 -0.376 0.000 1.073 221 H CA -2.034 53.812 56.048 -0.336 0.000 1.305 221 H CB 1.424 30.984 29.762 -0.336 0.000 1.404 221 H HN 0.024 nan 8.280 nan 0.000 0.459 222 P HA -0.187 nan 4.420 nan 0.000 0.216 222 P C 0.990 178.103 177.300 -0.311 0.000 1.154 222 P CA 1.565 64.469 63.100 -0.327 0.000 0.865 222 P CB 0.539 32.045 31.700 -0.324 0.000 0.789 223 Q N -1.238 118.341 119.800 -0.369 0.000 2.061 223 Q HA 0.024 4.363 4.340 -0.001 0.000 0.195 223 Q C 2.238 177.931 176.000 -0.513 0.000 0.967 223 Q CA 0.936 56.335 55.803 -0.674 0.000 0.829 223 Q CB -0.868 26.863 28.738 -1.679 0.000 0.900 223 Q HN 0.177 nan 8.270 nan 0.000 0.450 224 L N 0.691 121.672 121.223 -0.404 0.000 2.079 224 L HA -0.221 4.118 4.340 -0.001 0.000 0.210 224 L C 2.619 179.416 176.870 -0.121 0.000 1.081 224 L CA 1.255 55.988 54.840 -0.179 0.000 0.752 224 L CB -0.429 41.469 42.059 -0.267 0.000 0.896 224 L HN 0.247 nan 8.230 nan 0.000 0.433 225 R N 0.372 120.759 120.500 -0.187 0.000 2.103 225 R HA -0.211 4.128 4.340 -0.001 0.000 0.242 225 R C 1.852 178.077 176.300 -0.125 0.000 1.142 225 R CA 1.650 57.626 56.100 -0.208 0.000 0.960 225 R CB -0.101 29.979 30.300 -0.366 0.000 0.858 225 R HN 0.292 nan 8.270 nan 0.000 0.439 226 E N 0.406 120.539 120.200 -0.112 0.000 2.472 226 E HA -0.148 4.202 4.350 -0.001 0.000 0.200 226 E C 0.896 177.531 176.600 0.058 0.000 1.046 226 E CA 0.904 57.283 56.400 -0.034 0.000 0.871 226 E CB 0.086 29.761 29.700 -0.043 0.000 0.806 226 E HN 0.593 nan 8.360 nan 0.000 0.533 227 R N -1.242 119.309 120.500 0.084 0.000 2.616 227 R HA 0.592 4.931 4.340 -0.001 0.000 0.427 227 R C 0.074 176.514 176.300 0.232 0.000 1.030 227 R CA -0.127 56.089 56.100 0.193 0.000 1.133 227 R CB 0.642 31.025 30.300 0.139 0.000 1.444 227 R HN -0.057 nan 8.270 nan 0.000 0.578 228 A N 0.500 123.394 122.820 0.123 0.000 2.469 228 A HA 0.713 5.032 4.320 -0.001 0.000 0.299 228 A C -1.066 176.542 177.584 0.041 0.000 1.098 228 A CA -0.756 51.334 52.037 0.088 0.000 0.737 228 A CB 2.214 21.228 19.000 0.023 0.000 1.312 228 A HN 0.049 nan 8.150 nan 0.000 0.414 229 V N 1.090 121.015 119.914 0.018 0.000 2.409 229 V HA 0.647 4.767 4.120 -0.001 0.000 0.291 229 V C 0.420 176.490 176.094 -0.042 0.000 1.020 229 V CA -0.301 61.992 62.300 -0.010 0.000 0.848 229 V CB 1.096 32.904 31.823 -0.026 0.000 0.990 229 V HN 1.233 nan 8.190 nan 0.000 0.430 230 A N 5.019 127.813 122.820 -0.044 0.000 2.292 230 A HA 0.823 5.142 4.320 -0.001 0.000 0.319 230 A C -0.567 176.942 177.584 -0.125 0.000 1.206 230 A CA -0.463 51.522 52.037 -0.086 0.000 0.835 230 A CB 1.164 20.122 19.000 -0.070 0.000 1.164 230 A HN 0.658 nan 8.150 nan 0.000 0.505 231 V N 2.392 122.194 119.914 -0.187 0.000 2.459 231 V HA 0.603 4.722 4.120 -0.001 0.000 0.295 231 V C 0.210 176.047 176.094 -0.428 0.000 1.029 231 V CA -0.230 61.906 62.300 -0.273 0.000 0.874 231 V CB 1.700 33.412 31.823 -0.185 0.000 0.985 231 V HN 0.966 nan 8.190 nan 0.000 0.438 232 S N 2.180 117.455 115.700 -0.709 0.000 2.634 232 S HA 0.732 5.201 4.470 -0.001 0.000 0.296 232 S C -0.540 173.591 174.600 -0.782 0.000 1.104 232 S CA -0.652 57.032 58.200 -0.861 0.000 0.920 232 S CB 1.959 64.362 63.200 -1.329 0.000 1.111 232 S HN 0.773 nan 8.310 nan 0.000 0.493 233 S N 0.600 115.923 115.700 -0.628 0.000 2.733 233 S HA 0.496 4.965 4.470 -0.001 0.000 0.294 233 S C -0.216 174.224 174.600 -0.266 0.000 1.149 233 S CA -0.595 57.359 58.200 -0.411 0.000 1.034 233 S CB 0.007 63.018 63.200 -0.314 0.000 1.015 233 S HN 0.473 nan 8.310 nan 0.000 0.486 234 F N 3.463 123.408 119.950 -0.010 0.000 2.186 234 F HA 0.163 4.688 4.527 -0.002 0.000 0.299 234 F C 2.545 178.388 175.800 0.070 0.000 1.090 234 F CA 1.401 59.456 58.000 0.092 0.000 1.307 234 F CB -0.837 38.331 39.000 0.281 0.000 1.019 234 F HN 0.738 nan 8.300 nan 0.000 0.489 235 G N -0.015 108.934 108.800 0.247 0.000 2.442 235 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.219 235 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.219 235 G C 1.930 176.889 174.900 0.099 0.000 1.141 235 G CA 0.729 45.925 45.100 0.161 0.000 0.763 235 G HN 0.134 nan 8.290 nan 0.000 0.554 236 K N 0.066 120.480 120.400 0.024 0.000 2.116 236 K HA 0.010 4.329 4.320 -0.001 0.000 0.203 236 K C 2.653 179.285 176.600 0.053 0.000 1.052 236 K CA 1.178 57.478 56.287 0.022 0.000 0.952 236 K CB -0.769 31.591 32.500 -0.233 0.000 0.729 236 K HN 0.233 nan 8.250 nan 0.000 0.446 237 T N 0.115 114.621 114.554 -0.079 0.000 2.942 237 T HA -0.051 4.298 4.350 -0.001 0.000 0.265 237 T C 1.030 175.447 174.700 -0.471 0.000 1.062 237 T CA 0.949 62.928 62.100 -0.202 0.000 1.139 237 T CB -0.116 68.569 68.868 -0.304 0.000 0.883 237 T HN 0.225 nan 8.240 nan 0.000 0.468 238 Y N 0.828 121.046 120.300 -0.137 0.000 2.658 238 Y HA 0.208 4.757 4.550 -0.002 0.000 0.276 238 Y C 0.385 176.114 175.900 -0.285 0.000 1.167 238 Y CA -0.833 57.068 58.100 -0.331 0.000 1.230 238 Y CB -0.218 38.092 38.460 -0.249 0.000 1.144 238 Y HN 0.264 nan 8.280 nan 0.000 0.529 239 H N -1.299 117.918 119.070 0.244 0.000 2.822 239 H HA -0.222 4.333 4.556 -0.002 0.000 0.295 239 H C -0.224 175.126 175.328 0.037 0.000 1.151 239 H CA 1.129 57.295 56.048 0.197 0.000 1.151 239 H CB -2.005 27.959 29.762 0.336 0.000 1.343 239 H HN 0.523 nan 8.280 nan 0.000 0.382 240 M N 0.670 120.289 119.600 0.031 0.000 2.353 240 M HA 0.094 4.573 4.480 -0.001 0.000 0.218 240 M C 1.416 177.714 176.300 -0.003 0.000 1.044 240 M CA 0.206 55.432 55.300 -0.124 0.000 0.615 240 M CB 0.969 33.193 32.600 -0.627 0.000 1.531 240 M HN 0.196 nan 8.290 nan 0.000 0.378 241 T N -2.758 111.831 114.554 0.058 0.000 2.849 241 T HA -0.110 4.239 4.350 -0.001 0.000 0.270 241 T C 1.675 176.427 174.700 0.087 0.000 1.066 241 T CA 1.785 63.929 62.100 0.073 0.000 1.130 241 T CB -0.260 68.632 68.868 0.040 0.000 0.864 241 T HN 0.724 nan 8.240 nan 0.000 0.481 242 G N -0.865 108.000 108.800 0.109 0.000 2.848 242 G HA2 0.075 4.034 3.960 -0.001 0.000 0.208 242 G HA3 0.075 4.034 3.960 -0.001 0.000 0.208 242 G C 0.821 175.908 174.900 0.312 0.000 1.152 242 G CA -0.252 44.939 45.100 0.152 0.000 0.789 242 G HN 0.521 nan 8.290 nan 0.000 0.531 243 W N 0.257 121.578 121.300 0.035 0.000 2.770 243 W HA 0.296 4.955 4.660 -0.001 0.000 0.256 243 W C 0.728 177.285 176.519 0.063 0.000 1.291 243 W CA -0.483 56.893 57.345 0.050 0.000 1.396 243 W CB 0.371 29.874 29.460 0.071 0.000 1.114 243 W HN -0.043 nan 8.180 nan 0.000 0.637 244 K N 0.532 121.096 120.400 0.273 0.000 4.040 244 K HA -0.162 4.157 4.320 -0.001 0.000 0.279 244 K C -0.993 175.725 176.600 0.196 0.000 0.890 244 K CA 0.605 56.999 56.287 0.179 0.000 0.782 244 K CB -1.817 30.750 32.500 0.111 0.000 1.613 244 K HN -0.018 nan 8.250 nan 0.000 0.440 245 V N -0.079 119.994 119.914 0.265 0.000 2.623 245 V HA 0.776 4.896 4.120 -0.001 0.000 0.304 245 V C 0.781 177.063 176.094 0.313 0.000 1.054 245 V CA -0.241 62.252 62.300 0.321 0.000 0.882 245 V CB 2.339 34.428 31.823 0.443 0.000 1.002 245 V HN 0.625 nan 8.190 nan 0.000 0.424 246 G N 3.004 111.900 108.800 0.161 0.000 2.975 246 G HA2 0.898 4.857 3.960 -0.001 0.000 0.291 246 G HA3 0.898 4.857 3.960 -0.001 0.000 0.291 246 G C -1.608 173.283 174.900 -0.015 0.000 1.334 246 G CA -0.420 44.618 45.100 -0.103 0.000 0.843 246 G HN 1.190 nan 8.290 nan 0.000 0.548 247 Y N -2.625 117.538 120.300 -0.228 0.000 2.774 247 Y HA 0.599 5.148 4.550 -0.002 0.000 0.346 247 Y C -0.586 175.218 175.900 -0.160 0.000 1.222 247 Y CA -1.990 56.007 58.100 -0.172 0.000 1.088 247 Y CB 0.410 38.776 38.460 -0.157 0.000 1.354 247 Y HN 1.169 nan 8.280 nan 0.000 0.455 248 C N 0.324 119.706 119.300 0.137 0.000 2.712 248 C HA 0.949 5.408 4.460 -0.001 0.000 0.308 248 C C -1.029 174.049 174.990 0.148 0.000 1.201 248 C CA -1.099 57.953 59.018 0.057 0.000 1.554 248 C CB 0.988 28.714 27.740 -0.023 0.000 2.117 248 C HN 0.841 nan 8.230 nan 0.000 0.480 249 V N 2.150 122.136 119.914 0.120 0.000 2.448 249 V HA 0.900 5.019 4.120 -0.001 0.000 0.295 249 V C 0.414 176.556 176.094 0.079 0.000 1.025 249 V CA 0.316 62.688 62.300 0.120 0.000 0.859 249 V CB 1.023 32.947 31.823 0.168 0.000 0.988 249 V HN 1.534 nan 8.190 nan 0.000 0.431 250 A N 6.223 129.085 122.820 0.070 0.000 2.612 250 A HA 0.917 5.236 4.320 -0.001 0.000 0.293 250 A C -3.247 174.372 177.584 0.058 0.000 1.075 250 A CA -1.555 50.514 52.037 0.053 0.000 0.680 250 A CB 1.916 20.928 19.000 0.020 0.000 1.279 250 A HN 0.571 nan 8.150 nan 0.000 0.411 251 P HA 0.238 nan 4.420 nan 0.000 0.268 251 P C 1.128 178.454 177.300 0.044 0.000 1.208 251 P CA 0.894 64.027 63.100 0.055 0.000 0.777 251 P CB 0.694 32.429 31.700 0.059 0.000 0.875 252 A N 5.201 128.046 122.820 0.041 0.000 1.896 252 A HA -0.200 4.119 4.320 -0.001 0.000 0.220 252 A C -0.440 177.159 177.584 0.024 0.000 1.206 252 A CA 2.274 54.329 52.037 0.030 0.000 0.647 252 A CB -2.637 16.381 19.000 0.029 0.000 0.828 252 A HN 0.520 nan 8.150 nan 0.000 0.455 253 P HA -0.125 nan 4.420 nan 0.000 0.215 253 P C 1.355 178.661 177.300 0.009 0.000 1.153 253 P CA 1.113 64.233 63.100 0.033 0.000 0.853 253 P CB -0.109 31.626 31.700 0.059 0.000 0.788 254 I N -1.402 119.170 120.570 0.003 0.000 2.277 254 I HA -0.156 4.013 4.170 -0.001 0.000 0.243 254 I C 2.185 178.272 176.117 -0.050 0.000 1.094 254 I CA 1.222 62.487 61.300 -0.058 0.000 1.393 254 I CB -0.695 37.274 38.000 -0.052 0.000 1.078 254 I HN -0.106 nan 8.210 nan 0.000 0.417 255 S N 0.888 116.578 115.700 -0.018 0.000 2.400 255 S HA -0.170 4.299 4.470 -0.001 0.000 0.232 255 S C 2.240 176.832 174.600 -0.015 0.000 1.025 255 S CA 1.342 59.533 58.200 -0.015 0.000 0.993 255 S CB -0.308 62.891 63.200 -0.002 0.000 0.808 255 S HN 0.530 nan 8.310 nan 0.000 0.478 256 A N 1.665 124.480 122.820 -0.008 0.000 1.902 256 A HA -0.122 4.198 4.320 -0.001 0.000 0.217 256 A C 2.033 179.617 177.584 -0.000 0.000 1.181 256 A CA 1.278 53.314 52.037 -0.001 0.000 0.623 256 A CB -0.370 18.634 19.000 0.007 0.000 0.818 256 A HN 0.337 nan 8.150 nan 0.000 0.443 257 E N -0.179 120.012 120.200 -0.016 0.000 2.208 257 E HA -0.036 4.313 4.350 -0.001 0.000 0.193 257 E C 1.899 178.493 176.600 -0.009 0.000 0.988 257 E CA 0.607 56.997 56.400 -0.017 0.000 0.828 257 E CB -0.315 29.351 29.700 -0.056 0.000 0.763 257 E HN 0.747 nan 8.360 nan 0.000 0.478 258 I N 0.580 121.138 120.570 -0.019 0.000 2.286 258 I HA -0.217 3.952 4.170 -0.001 0.000 0.245 258 I C 2.405 178.550 176.117 0.046 0.000 1.104 258 I CA 0.880 62.180 61.300 0.001 0.000 1.397 258 I CB -0.124 37.864 38.000 -0.020 0.000 1.072 258 I HN -0.015 nan 8.210 nan 0.000 0.417 259 R N 0.887 121.405 120.500 0.030 0.000 2.092 259 R HA -0.127 4.212 4.340 -0.001 0.000 0.231 259 R C 2.257 178.579 176.300 0.037 0.000 1.119 259 R CA 1.110 57.242 56.100 0.053 0.000 0.970 259 R CB -0.200 30.106 30.300 0.010 0.000 0.864 259 R HN 0.303 nan 8.270 nan 0.000 0.440 260 K N 0.160 120.581 120.400 0.036 0.000 2.103 260 K HA -0.125 4.194 4.320 -0.001 0.000 0.207 260 K C 2.026 178.692 176.600 0.110 0.000 1.048 260 K CA 1.406 57.729 56.287 0.060 0.000 0.930 260 K CB -0.055 32.505 32.500 0.101 0.000 0.716 260 K HN 0.022 nan 8.250 nan 0.000 0.444 261 V N 0.436 120.425 119.914 0.125 0.000 2.283 261 V HA -0.230 3.889 4.120 -0.001 0.000 0.243 261 V C 2.234 178.418 176.094 0.150 0.000 1.039 261 V CA 2.067 64.473 62.300 0.177 0.000 1.016 261 V CB -0.597 31.319 31.823 0.154 0.000 0.650 261 V HN 0.385 nan 8.190 nan 0.000 0.449 262 H N 1.159 120.251 119.070 0.037 0.000 2.289 262 H HA -0.312 4.243 4.556 -0.001 0.000 0.294 262 H C 2.318 177.608 175.328 -0.064 0.000 1.095 262 H CA 2.625 58.675 56.048 0.002 0.000 1.256 262 H CB -0.436 29.306 29.762 -0.034 0.000 1.359 262 H HN 0.550 nan 8.280 nan 0.000 0.487 263 Q N -0.871 118.663 119.800 -0.444 0.000 2.268 263 Q HA -0.224 4.116 4.340 -0.001 0.000 0.210 263 Q C 0.773 176.464 176.000 -0.516 0.000 0.988 263 Q CA 1.891 57.331 55.803 -0.605 0.000 0.883 263 Q CB -0.224 28.157 28.738 -0.594 0.000 0.911 263 Q HN 0.704 nan 8.270 nan 0.000 0.430 264 Y N -1.283 118.999 120.300 -0.031 0.000 2.467 264 Y HA 0.189 4.737 4.550 -0.002 0.000 0.250 264 Y C 1.097 176.990 175.900 -0.012 0.000 1.155 264 Y CA -0.330 57.770 58.100 0.001 0.000 1.249 264 Y CB 0.520 38.990 38.460 0.018 0.000 1.146 264 Y HN 0.097 nan 8.280 nan 0.000 0.524 265 L N -0.458 120.789 121.223 0.039 0.000 2.130 265 L HA 0.009 4.348 4.340 -0.001 0.000 0.200 265 L C 2.028 178.893 176.870 -0.008 0.000 1.075 265 L CA 2.230 57.088 54.840 0.029 0.000 0.768 265 L CB -0.376 41.719 42.059 0.060 0.000 0.933 265 L HN 0.325 nan 8.230 nan 0.000 0.451 266 T N -7.247 107.259 114.554 -0.081 0.000 3.073 266 T HA 0.124 4.474 4.350 -0.001 0.000 0.264 266 T C 1.013 175.712 174.700 -0.002 0.000 0.893 266 T CA 0.407 62.497 62.100 -0.018 0.000 0.863 266 T CB 0.055 68.949 68.868 0.042 0.000 1.247 266 T HN 0.033 nan 8.240 nan 0.000 0.546 267 F N 2.527 122.218 119.950 -0.432 0.000 2.551 267 F HA -0.334 4.192 4.527 -0.002 0.000 0.704 267 F C 0.193 175.820 175.800 -0.288 0.000 0.486 267 F CA 2.016 59.754 58.000 -0.437 0.000 0.741 267 F CB -1.435 37.381 39.000 -0.307 0.000 1.617 267 F HN 0.748 nan 8.300 nan 0.000 0.268 268 S N -0.002 115.641 115.700 -0.095 0.000 2.661 268 S HA 0.846 5.315 4.470 -0.001 0.000 0.285 268 S C -0.832 173.850 174.600 0.137 0.000 1.138 268 S CA -0.243 57.944 58.200 -0.021 0.000 0.855 268 S CB 2.487 65.731 63.200 0.072 0.000 1.136 268 S HN 0.676 nan 8.310 nan 0.000 0.484 269 V N 1.989 121.977 119.914 0.124 0.000 2.715 269 V HA 0.472 4.591 4.120 -0.001 0.000 0.310 269 V C 0.257 176.399 176.094 0.080 0.000 1.054 269 V CA -1.132 61.237 62.300 0.115 0.000 0.928 269 V CB 1.706 33.598 31.823 0.114 0.000 1.007 269 V HN 1.046 nan 8.190 nan 0.000 0.437 270 N N 2.240 120.972 118.700 0.053 0.000 1.923 270 N HA -0.126 4.613 4.740 -0.001 0.000 0.305 270 N C 1.184 176.685 175.510 -0.014 0.000 1.339 270 N CA 1.016 54.066 53.050 -0.000 0.000 0.825 270 N CB 0.909 39.364 38.487 -0.053 0.000 1.095 270 N HN 0.854 nan 8.380 nan 0.000 0.498 271 T N 5.156 119.700 114.554 -0.016 0.000 2.643 271 T HA -0.071 4.279 4.350 -0.001 0.000 0.264 271 T C -0.868 173.783 174.700 -0.082 0.000 1.045 271 T CA 1.169 63.250 62.100 -0.033 0.000 1.155 271 T CB -0.786 68.073 68.868 -0.014 0.000 0.863 271 T HN 0.492 nan 8.240 nan 0.000 0.420 272 P HA -0.066 nan 4.420 nan 0.000 0.215 272 P C 1.666 178.902 177.300 -0.106 0.000 1.157 272 P CA 1.531 64.581 63.100 -0.084 0.000 0.874 272 P CB -0.345 31.311 31.700 -0.075 0.000 0.790 273 A N -0.273 122.461 122.820 -0.142 0.000 1.917 273 A HA -0.312 4.007 4.320 -0.001 0.000 0.219 273 A C 2.270 179.825 177.584 -0.048 0.000 1.182 273 A CA 1.911 53.870 52.037 -0.130 0.000 0.633 273 A CB -1.424 17.478 19.000 -0.163 0.000 0.819 273 A HN 0.235 nan 8.150 nan 0.000 0.448 274 Q N -0.687 119.075 119.800 -0.062 0.000 2.050 274 Q HA -0.121 4.218 4.340 -0.001 0.000 0.202 274 Q C 2.168 178.084 176.000 -0.141 0.000 0.980 274 Q CA 1.518 57.278 55.803 -0.070 0.000 0.840 274 Q CB -0.336 28.377 28.738 -0.042 0.000 0.898 274 Q HN 0.703 nan 8.270 nan 0.000 0.424 275 L N 0.146 121.232 121.223 -0.228 0.000 2.083 275 L HA -0.186 4.153 4.340 -0.001 0.000 0.209 275 L C 2.507 179.239 176.870 -0.229 0.000 1.083 275 L CA 0.973 55.569 54.840 -0.407 0.000 0.752 275 L CB -0.561 40.898 42.059 -1.001 0.000 0.899 275 L HN 0.200 nan 8.230 nan 0.000 0.433 276 A N 0.072 122.851 122.820 -0.068 0.000 1.873 276 A HA -0.147 4.172 4.320 -0.001 0.000 0.215 276 A C 2.242 179.777 177.584 -0.083 0.000 1.186 276 A CA 1.335 53.400 52.037 0.048 0.000 0.616 276 A CB -0.694 18.371 19.000 0.108 0.000 0.823 276 A HN 0.345 nan 8.150 nan 0.000 0.442 277 L N -0.746 120.388 121.223 -0.148 0.000 2.131 277 L HA -0.196 4.143 4.340 -0.001 0.000 0.210 277 L C 3.043 179.753 176.870 -0.267 0.000 1.092 277 L CA 0.930 55.566 54.840 -0.340 0.000 0.759 277 L CB -0.452 41.264 42.059 -0.571 0.000 0.903 277 L HN 0.456 nan 8.230 nan 0.000 0.435 278 A N -0.207 122.515 122.820 -0.162 0.000 1.898 278 A HA -0.208 4.111 4.320 -0.001 0.000 0.216 278 A C 1.939 179.506 177.584 -0.027 0.000 1.181 278 A CA 1.773 53.758 52.037 -0.086 0.000 0.620 278 A CB -0.439 18.516 19.000 -0.074 0.000 0.819 278 A HN 0.333 nan 8.150 nan 0.000 0.442 279 D N -0.733 119.670 120.400 0.004 0.000 2.104 279 D HA -0.179 4.460 4.640 -0.001 0.000 0.194 279 D C 1.830 178.213 176.300 0.138 0.000 0.994 279 D CA 1.835 55.888 54.000 0.088 0.000 0.830 279 D CB -0.406 40.455 40.800 0.101 0.000 0.959 279 D HN 0.390 nan 8.370 nan 0.000 0.452 280 M N 0.428 120.068 119.600 0.067 0.000 2.108 280 M HA -0.110 4.369 4.480 -0.001 0.000 0.261 280 M C 2.002 178.306 176.300 0.008 0.000 1.066 280 M CA 1.207 56.526 55.300 0.033 0.000 1.107 280 M CB -0.391 32.017 32.600 -0.320 0.000 1.356 280 M HN -0.039 nan 8.290 nan 0.000 0.406 281 L N -0.957 120.277 121.223 0.019 0.000 2.046 281 L HA -0.224 4.115 4.340 -0.001 0.000 0.208 281 L C 2.532 179.443 176.870 0.069 0.000 1.077 281 L CA 1.460 56.362 54.840 0.103 0.000 0.747 281 L CB -0.508 41.617 42.059 0.111 0.000 0.896 281 L HN 0.286 nan 8.230 nan 0.000 0.432 282 R N -0.606 119.918 120.500 0.040 0.000 2.090 282 R HA -0.036 4.303 4.340 -0.001 0.000 0.228 282 R C 2.319 178.617 176.300 -0.004 0.000 1.110 282 R CA 1.114 57.228 56.100 0.022 0.000 0.973 282 R CB -0.302 30.011 30.300 0.022 0.000 0.869 282 R HN 0.318 nan 8.270 nan 0.000 0.440 283 A N 0.731 123.542 122.820 -0.014 0.000 1.970 283 A HA -0.041 4.278 4.320 -0.001 0.000 0.216 283 A C 0.667 178.166 177.584 -0.141 0.000 1.170 283 A CA 0.849 52.820 52.037 -0.109 0.000 0.645 283 A CB 0.263 19.125 19.000 -0.230 0.000 0.816 283 A HN 0.197 nan 8.150 nan 0.000 0.447 284 E N -1.013 119.135 120.200 -0.087 0.000 3.666 284 E HA 0.191 4.540 4.350 -0.001 0.000 0.230 284 E C -2.228 174.368 176.600 -0.007 0.000 1.235 284 E CA -1.481 54.886 56.400 -0.055 0.000 1.096 284 E CB 1.214 30.895 29.700 -0.033 0.000 1.287 284 E HN 0.238 nan 8.360 nan 0.000 0.406 285 P HA -0.184 nan 4.420 nan 0.000 0.218 285 P C 0.404 177.490 177.300 -0.357 0.000 1.148 285 P CA 1.144 64.198 63.100 -0.076 0.000 0.822 285 P CB 0.277 31.951 31.700 -0.042 0.000 0.784 286 E N -2.111 117.896 120.200 -0.321 0.000 2.465 286 E HA -0.087 4.262 4.350 -0.001 0.000 0.191 286 E C 1.644 177.970 176.600 -0.456 0.000 1.053 286 E CA -0.119 56.007 56.400 -0.458 0.000 0.869 286 E CB -0.558 28.998 29.700 -0.240 0.000 0.977 286 E HN 0.409 nan 8.360 nan 0.000 0.483 287 H N 1.093 119.911 119.070 -0.420 0.000 2.390 287 H HA -0.226 4.330 4.556 -0.001 0.000 0.298 287 H C 1.500 176.700 175.328 -0.212 0.000 1.106 287 H CA 2.022 57.934 56.048 -0.227 0.000 1.297 287 H CB 0.024 29.757 29.762 -0.048 0.000 1.375 287 H HN 0.455 nan 8.280 nan 0.000 0.509 288 Y N -1.243 119.049 120.300 -0.012 0.000 2.516 288 Y HA 0.062 4.611 4.550 -0.002 0.000 0.291 288 Y C 2.414 178.251 175.900 -0.105 0.000 1.131 288 Y CA 0.141 58.120 58.100 -0.202 0.000 1.281 288 Y CB -0.704 37.241 38.460 -0.858 0.000 1.013 288 Y HN 0.030 nan 8.280 nan 0.000 0.554 289 L N 1.080 122.224 121.223 -0.132 0.000 2.456 289 L HA 0.083 4.422 4.340 -0.001 0.000 0.224 289 L C 2.164 179.053 176.870 0.030 0.000 1.148 289 L CA 1.269 56.114 54.840 0.009 0.000 0.825 289 L CB -0.649 41.358 42.059 -0.086 0.000 0.937 289 L HN 0.372 nan 8.230 nan 0.000 0.450 290 A N -1.734 121.065 122.820 -0.036 0.000 2.169 290 A HA 0.122 4.441 4.320 -0.001 0.000 0.210 290 A C 2.075 179.722 177.584 0.104 0.000 1.168 290 A CA 0.223 52.251 52.037 -0.014 0.000 0.813 290 A CB -0.337 18.574 19.000 -0.149 0.000 0.861 290 A HN 0.369 nan 8.150 nan 0.000 0.481 291 L N -0.159 121.158 121.223 0.157 0.000 2.079 291 L HA -0.139 4.200 4.340 -0.001 0.000 0.210 291 L C -0.574 176.614 176.870 0.530 0.000 1.081 291 L CA 1.508 56.576 54.840 0.381 0.000 0.752 291 L CB -1.369 40.958 42.059 0.447 0.000 0.896 291 L HN 0.231 nan 8.230 nan 0.000 0.433 292 P HA -0.159 nan 4.420 nan 0.000 0.214 292 P C 0.994 178.616 177.300 0.537 0.000 1.163 292 P CA 1.394 64.775 63.100 0.468 0.000 0.883 292 P CB 0.028 31.923 31.700 0.325 0.000 0.788 293 D N -1.732 118.876 120.400 0.346 0.000 2.144 293 D HA -0.140 4.499 4.640 -0.001 0.000 0.200 293 D C 1.710 178.152 176.300 0.237 0.000 0.978 293 D CA 0.836 54.983 54.000 0.245 0.000 0.833 293 D CB -0.805 40.089 40.800 0.157 0.000 0.961 293 D HN 0.077 nan 8.370 nan 0.000 0.470 294 F N 0.422 120.431 119.950 0.098 0.000 2.126 294 F HA -0.241 4.285 4.527 -0.002 0.000 0.299 294 F C 1.910 177.699 175.800 -0.018 0.000 1.096 294 F CA 1.465 59.442 58.000 -0.039 0.000 1.255 294 F CB -0.521 38.394 39.000 -0.142 0.000 0.997 294 F HN -0.006 nan 8.300 nan 0.000 0.479 295 Y N -0.788 119.653 120.300 0.236 0.000 2.490 295 Y HA 0.081 4.630 4.550 -0.002 0.000 0.285 295 Y C 2.619 178.622 175.900 0.172 0.000 1.117 295 Y CA 0.517 58.787 58.100 0.284 0.000 1.262 295 Y CB -0.276 38.596 38.460 0.687 0.000 1.043 295 Y HN -0.097 nan 8.280 nan 0.000 0.553 296 R N 0.443 121.058 120.500 0.192 0.000 2.092 296 R HA -0.192 4.147 4.340 -0.001 0.000 0.231 296 R C 2.350 178.495 176.300 -0.258 0.000 1.119 296 R CA 1.215 57.132 56.100 -0.306 0.000 0.970 296 R CB -0.118 30.085 30.300 -0.162 0.000 0.864 296 R HN 0.315 nan 8.270 nan 0.000 0.440 297 Q N 1.283 120.998 119.800 -0.142 0.000 2.050 297 Q HA -0.197 4.142 4.340 -0.001 0.000 0.202 297 Q C 1.559 177.440 176.000 -0.199 0.000 0.980 297 Q CA 1.802 57.512 55.803 -0.156 0.000 0.840 297 Q CB 0.030 28.689 28.738 -0.131 0.000 0.898 297 Q HN 0.296 nan 8.270 nan 0.000 0.424 298 K N 0.040 120.319 120.400 -0.201 0.000 2.097 298 K HA -0.127 4.192 4.320 -0.001 0.000 0.205 298 K C 2.359 178.768 176.600 -0.319 0.000 1.050 298 K CA 1.078 57.277 56.287 -0.147 0.000 0.938 298 K CB -0.220 32.303 32.500 0.038 0.000 0.718 298 K HN 0.134 nan 8.250 nan 0.000 0.442 299 R N 1.400 121.491 120.500 -0.681 0.000 2.083 299 R HA -0.173 4.166 4.340 -0.001 0.000 0.237 299 R C 1.227 177.166 176.300 -0.602 0.000 1.137 299 R CA 2.014 57.369 56.100 -1.242 0.000 0.951 299 R CB -0.142 29.349 30.300 -1.348 0.000 0.851 299 R HN 0.134 nan 8.270 nan 0.000 0.434 300 D N 0.514 120.668 120.400 -0.409 0.000 2.263 300 D HA -0.132 4.507 4.640 -0.001 0.000 0.208 300 D C 1.887 178.078 176.300 -0.183 0.000 0.971 300 D CA 0.916 54.762 54.000 -0.256 0.000 0.867 300 D CB -0.106 40.575 40.800 -0.198 0.000 0.929 300 D HN 0.387 nan 8.370 nan 0.000 0.492 301 I N 0.076 120.540 120.570 -0.176 0.000 2.286 301 I HA -0.247 3.922 4.170 -0.001 0.000 0.248 301 I C 2.008 178.071 176.117 -0.089 0.000 1.115 301 I CA 0.578 61.812 61.300 -0.110 0.000 1.392 301 I CB 0.024 37.971 38.000 -0.088 0.000 1.065 301 I HN 0.010 nan 8.210 nan 0.000 0.418 302 L N -0.213 120.942 121.223 -0.113 0.000 2.131 302 L HA -0.074 4.265 4.340 -0.001 0.000 0.206 302 L C 2.357 179.187 176.870 -0.068 0.000 1.087 302 L CA 1.355 56.156 54.840 -0.066 0.000 0.767 302 L CB -0.608 41.424 42.059 -0.046 0.000 0.917 302 L HN -0.021 nan 8.230 nan 0.000 0.441 303 V N 0.129 119.973 119.914 -0.117 0.000 2.295 303 V HA -0.275 3.844 4.120 -0.001 0.000 0.246 303 V C 2.256 178.313 176.094 -0.062 0.000 1.049 303 V CA 1.678 63.923 62.300 -0.092 0.000 1.024 303 V CB -0.637 31.106 31.823 -0.134 0.000 0.648 303 V HN 0.490 nan 8.190 nan 0.000 0.447 304 N N 0.540 119.199 118.700 -0.069 0.000 2.223 304 N HA -0.105 4.634 4.740 -0.001 0.000 0.185 304 N C 1.817 177.308 175.510 -0.031 0.000 1.016 304 N CA 1.593 54.614 53.050 -0.048 0.000 0.863 304 N CB -0.421 38.035 38.487 -0.052 0.000 0.983 304 N HN 0.512 nan 8.380 nan 0.000 0.429 305 A N 0.841 123.643 122.820 -0.029 0.000 1.929 305 A HA 0.034 4.353 4.320 -0.001 0.000 0.216 305 A C 2.277 179.859 177.584 -0.005 0.000 1.176 305 A CA 0.683 52.712 52.037 -0.015 0.000 0.628 305 A CB -0.550 18.443 19.000 -0.011 0.000 0.816 305 A HN 0.191 nan 8.150 nan 0.000 0.444 306 L N -0.049 121.172 121.223 -0.003 0.000 2.291 306 L HA -0.085 4.254 4.340 -0.001 0.000 0.214 306 L C 1.742 178.615 176.870 0.006 0.000 1.120 306 L CA 0.466 55.312 54.840 0.010 0.000 0.799 306 L CB -0.387 41.683 42.059 0.018 0.000 0.925 306 L HN 0.317 nan 8.230 nan 0.000 0.446 307 N N 0.157 118.854 118.700 -0.004 0.000 2.459 307 N HA -0.109 4.630 4.740 -0.001 0.000 0.181 307 N C 1.068 176.577 175.510 -0.000 0.000 1.046 307 N CA 0.842 53.889 53.050 -0.004 0.000 0.904 307 N CB 0.160 38.640 38.487 -0.012 0.000 0.964 307 N HN 0.484 nan 8.380 nan 0.000 0.444 308 E N -0.508 119.693 120.200 0.001 0.000 2.476 308 E HA 0.094 4.443 4.350 -0.001 0.000 0.196 308 E C -0.057 176.549 176.600 0.010 0.000 1.029 308 E CA -0.154 56.248 56.400 0.004 0.000 0.896 308 E CB 0.642 30.343 29.700 0.001 0.000 1.012 308 E HN -0.010 nan 8.360 nan 0.000 0.475 309 S N 0.027 115.735 115.700 0.013 0.000 2.621 309 S HA 0.296 4.765 4.470 -0.001 0.000 0.302 309 S C 0.742 175.359 174.600 0.028 0.000 1.093 309 S CA -0.669 57.544 58.200 0.022 0.000 1.017 309 S CB 1.490 64.705 63.200 0.025 0.000 1.077 309 S HN 0.029 nan 8.310 nan 0.000 0.517 310 R N 0.975 121.498 120.500 0.038 0.000 2.280 310 R HA 0.174 4.513 4.340 -0.001 0.000 0.207 310 R C 0.058 176.386 176.300 0.047 0.000 1.043 310 R CA 0.354 56.478 56.100 0.040 0.000 1.006 310 R CB -0.411 29.919 30.300 0.051 0.000 0.885 310 R HN 0.530 nan 8.270 nan 0.000 0.467 311 L N 0.892 122.152 121.223 0.062 0.000 2.436 311 L HA 0.138 4.477 4.340 -0.001 0.000 0.265 311 L C 0.402 177.297 176.870 0.043 0.000 1.168 311 L CA 0.136 55.021 54.840 0.075 0.000 0.815 311 L CB 0.570 42.695 42.059 0.110 0.000 1.109 311 L HN 0.067 nan 8.230 nan 0.000 0.462 312 E N 1.923 122.141 120.200 0.031 0.000 2.227 312 E HA 0.466 4.816 4.350 -0.001 0.000 0.268 312 E C -1.294 175.321 176.600 0.024 0.000 0.907 312 E CA -0.846 55.562 56.400 0.014 0.000 0.786 312 E CB 1.726 31.419 29.700 -0.010 0.000 1.191 312 E HN 0.285 nan 8.360 nan 0.000 0.411 313 I N 3.903 124.484 120.570 0.018 0.000 2.460 313 I HA 0.314 4.483 4.170 -0.001 0.000 0.298 313 I C 0.144 176.273 176.117 0.020 0.000 0.989 313 I CA -0.662 60.654 61.300 0.027 0.000 1.173 313 I CB 1.106 39.116 38.000 0.017 0.000 1.338 313 I HN 0.566 nan 8.210 nan 0.000 0.456 314 L N 5.665 126.912 121.223 0.040 0.000 2.375 314 L HA 0.448 4.787 4.340 -0.001 0.000 0.268 314 L C -2.155 174.748 176.870 0.055 0.000 1.058 314 L CA -1.790 53.071 54.840 0.035 0.000 0.803 314 L CB 0.940 43.046 42.059 0.078 0.000 1.212 314 L HN 0.277 nan 8.230 nan 0.000 0.451 315 P HA -0.009 nan 4.420 nan 0.000 0.267 315 P C -0.907 176.472 177.300 0.133 0.000 1.209 315 P CA -0.235 62.920 63.100 0.092 0.000 0.763 315 P CB 0.386 32.158 31.700 0.120 0.000 0.816 316 C N 4.610 123.996 119.300 0.143 0.000 2.223 316 C HA 0.252 4.711 4.460 -0.001 0.000 0.324 316 C C 1.327 176.520 174.990 0.338 0.000 1.196 316 C CA -0.115 59.039 59.018 0.227 0.000 1.628 316 C CB -1.100 26.774 27.740 0.223 0.000 2.229 316 C HN 0.667 nan 8.230 nan 0.000 0.486 317 E N 3.364 123.755 120.200 0.318 0.000 2.307 317 E HA 0.300 4.649 4.350 -0.001 0.000 0.195 317 E C 1.034 177.786 176.600 0.254 0.000 0.975 317 E CA 0.355 56.951 56.400 0.325 0.000 0.878 317 E CB 0.548 30.371 29.700 0.204 0.000 0.845 317 E HN 0.847 nan 8.360 nan 0.000 0.488 318 G N 0.788 109.684 108.800 0.161 0.000 2.645 318 G HA2 0.440 4.399 3.960 -0.001 0.000 0.292 318 G HA3 0.440 4.399 3.960 -0.001 0.000 0.292 318 G C -0.604 174.229 174.900 -0.112 0.000 1.415 318 G CA -0.097 44.922 45.100 -0.134 0.000 0.785 318 G HN 0.159 nan 8.290 nan 0.000 0.483 319 T N -3.335 111.005 114.554 -0.358 0.000 0.541 319 T HA -0.249 4.100 4.350 -0.001 0.000 0.774 319 T C 0.250 174.591 174.700 -0.599 0.000 0.992 319 T CA 1.218 62.864 62.100 -0.758 0.000 4.077 319 T CB -1.369 67.034 68.868 -0.775 0.000 2.303 319 T HN 2.151 nan 8.240 nan 0.000 0.398 320 Y N -0.086 119.560 120.300 -1.090 0.000 2.756 320 Y HA 0.708 5.257 4.550 -0.002 0.000 0.300 320 Y C -0.021 174.813 175.900 -1.778 0.000 1.113 320 Y CA -1.694 55.447 58.100 -1.598 0.000 1.291 320 Y CB -0.091 37.421 38.460 -1.580 0.000 1.175 320 Y HN 0.472 nan 8.280 nan 0.000 0.534 321 F N 1.646 121.350 119.950 -0.410 0.000 2.523 321 F HA 0.680 5.205 4.527 -0.002 0.000 0.329 321 F C -0.639 175.274 175.800 0.188 0.000 1.061 321 F CA -1.704 56.220 58.000 -0.126 0.000 0.967 321 F CB 1.877 40.755 39.000 -0.204 0.000 1.218 321 F HN -0.044 nan 8.300 nan 0.000 0.480 322 L N 2.333 123.810 121.223 0.423 0.000 2.422 322 L HA 0.623 4.962 4.340 -0.001 0.000 0.264 322 L C -1.625 175.363 176.870 0.196 0.000 0.984 322 L CA -0.479 54.557 54.840 0.327 0.000 0.819 322 L CB 1.985 44.249 42.059 0.342 0.000 1.330 322 L HN 0.467 nan 8.230 nan 0.000 0.410 323 L N 4.835 126.142 121.223 0.140 0.000 2.309 323 L HA 0.711 5.050 4.340 -0.001 0.000 0.282 323 L C -0.939 176.005 176.870 0.124 0.000 1.036 323 L CA -0.913 53.996 54.840 0.116 0.000 0.806 323 L CB 1.854 43.973 42.059 0.100 0.000 1.220 323 L HN 0.326 nan 8.230 nan 0.000 0.429 324 V N 1.820 121.818 119.914 0.140 0.000 2.588 324 V HA 0.295 4.415 4.120 -0.001 0.000 0.304 324 V C -0.585 175.580 176.094 0.118 0.000 1.042 324 V CA -0.698 61.681 62.300 0.130 0.000 0.877 324 V CB 2.258 34.179 31.823 0.164 0.000 0.996 324 V HN 0.649 nan 8.190 nan 0.000 0.425 325 D N 3.279 123.706 120.400 0.046 0.000 2.274 325 D HA 0.223 4.862 4.640 -0.001 0.000 0.239 325 D C -0.197 176.058 176.300 -0.075 0.000 1.104 325 D CA -0.318 53.643 54.000 -0.066 0.000 0.840 325 D CB 1.568 42.314 40.800 -0.090 0.000 1.100 325 D HN 0.666 nan 8.370 nan 0.000 0.477 326 Y N 1.771 121.964 120.300 -0.179 0.000 2.607 326 Y HA 0.310 4.860 4.550 -0.001 0.000 0.266 326 Y C 1.562 177.319 175.900 -0.239 0.000 1.178 326 Y CA -0.625 57.317 58.100 -0.263 0.000 1.226 326 Y CB -0.113 37.933 38.460 -0.690 0.000 1.144 326 Y HN 0.114 nan 8.280 nan 0.000 0.528 327 S N 1.519 116.987 115.700 -0.387 0.000 2.368 327 S HA -0.334 4.135 4.470 -0.001 0.000 0.226 327 S C 2.331 176.868 174.600 -0.106 0.000 1.044 327 S CA 2.070 60.105 58.200 -0.275 0.000 1.062 327 S CB -0.688 62.379 63.200 -0.222 0.000 0.931 327 S HN 0.761 nan 8.310 nan 0.000 0.440 328 A N 0.412 123.197 122.820 -0.058 0.000 2.070 328 A HA -0.020 4.299 4.320 -0.001 0.000 0.220 328 A C 2.183 179.781 177.584 0.023 0.000 1.159 328 A CA 1.401 53.429 52.037 -0.015 0.000 0.656 328 A CB -0.482 18.516 19.000 -0.004 0.000 0.800 328 A HN 0.387 nan 8.150 nan 0.000 0.453 329 V N -1.712 118.240 119.914 0.063 0.000 2.825 329 V HA 0.136 4.255 4.120 -0.001 0.000 0.246 329 V C 1.092 177.240 176.094 0.089 0.000 1.068 329 V CA 1.322 63.693 62.300 0.117 0.000 1.088 329 V CB 0.220 32.178 31.823 0.225 0.000 0.733 329 V HN 0.500 nan 8.190 nan 0.000 0.468 330 S N -1.992 113.771 115.700 0.104 0.000 2.625 330 S HA 0.377 4.846 4.470 -0.001 0.000 0.271 330 S C 0.351 174.992 174.600 0.069 0.000 1.161 330 S CA 0.355 58.583 58.200 0.046 0.000 0.820 330 S CB 2.054 65.290 63.200 0.060 0.000 1.137 330 S HN 0.099 nan 8.310 nan 0.000 0.470 331 T N 1.864 116.432 114.554 0.023 0.000 3.044 331 T HA 0.407 4.756 4.350 -0.001 0.000 0.260 331 T C 0.400 175.139 174.700 0.065 0.000 1.019 331 T CA -0.106 62.007 62.100 0.021 0.000 0.921 331 T CB -0.447 68.410 68.868 -0.018 0.000 1.053 331 T HN 0.476 nan 8.240 nan 0.000 0.533 332 L N 1.851 123.138 121.223 0.106 0.000 2.476 332 L HA 0.322 4.661 4.340 -0.001 0.000 0.264 332 L C 0.512 177.521 176.870 0.231 0.000 1.224 332 L CA -0.553 54.366 54.840 0.130 0.000 0.821 332 L CB 0.273 42.402 42.059 0.118 0.000 1.101 332 L HN 0.180 nan 8.230 nan 0.000 0.488 333 D N 0.346 120.860 120.400 0.190 0.000 2.313 333 D HA -0.009 4.630 4.640 -0.001 0.000 0.247 333 D C 0.604 177.092 176.300 0.314 0.000 1.094 333 D CA -0.241 53.890 54.000 0.218 0.000 0.925 333 D CB 1.271 42.156 40.800 0.141 0.000 1.188 333 D HN 0.567 nan 8.370 nan 0.000 0.430 334 D N 0.584 121.210 120.400 0.376 0.000 2.133 334 D HA -0.205 4.434 4.640 -0.001 0.000 0.192 334 D C 1.722 178.191 176.300 0.281 0.000 1.001 334 D CA 1.247 55.492 54.000 0.408 0.000 0.844 334 D CB -0.632 40.415 40.800 0.412 0.000 0.944 334 D HN 0.196 nan 8.370 nan 0.000 0.447 335 V N 1.039 121.072 119.914 0.198 0.000 2.233 335 V HA -0.275 3.844 4.120 -0.001 0.000 0.247 335 V C 2.520 178.680 176.094 0.111 0.000 1.050 335 V CA 2.473 64.847 62.300 0.124 0.000 1.010 335 V CB -0.766 31.109 31.823 0.087 0.000 0.637 335 V HN 0.264 nan 8.190 nan 0.000 0.444 336 E N -0.833 119.440 120.200 0.121 0.000 2.347 336 E HA -0.161 4.188 4.350 -0.001 0.000 0.196 336 E C 1.911 178.586 176.600 0.125 0.000 1.008 336 E CA 1.034 57.495 56.400 0.102 0.000 0.852 336 E CB -0.180 29.574 29.700 0.090 0.000 0.783 336 E HN 0.697 nan 8.360 nan 0.000 0.505 337 F N 0.695 120.649 119.950 0.006 0.000 2.163 337 F HA -0.181 4.345 4.527 -0.001 0.000 0.297 337 F C 2.030 177.851 175.800 0.034 0.000 1.094 337 F CA 1.043 59.007 58.000 -0.060 0.000 1.290 337 F CB -0.218 38.485 39.000 -0.494 0.000 1.017 337 F HN -0.018 nan 8.300 nan 0.000 0.483 338 C N 0.653 119.945 119.300 -0.012 0.000 2.422 338 C HA -0.186 4.274 4.460 -0.001 0.000 0.279 338 C C 2.690 177.590 174.990 -0.149 0.000 1.305 338 C CA 1.307 60.269 59.018 -0.093 0.000 1.757 338 C CB -1.358 26.403 27.740 0.035 0.000 1.962 338 C HN 0.584 nan 8.230 nan 0.000 0.499 339 Q N -1.342 118.412 119.800 -0.077 0.000 2.119 339 Q HA -0.214 4.125 4.340 -0.001 0.000 0.201 339 Q C 1.982 177.899 176.000 -0.139 0.000 0.972 339 Q CA 1.755 57.506 55.803 -0.086 0.000 0.847 339 Q CB -0.201 28.524 28.738 -0.021 0.000 0.903 339 Q HN 0.873 nan 8.270 nan 0.000 0.433 340 W N 0.807 121.934 121.300 -0.288 0.000 2.379 340 W HA -0.193 4.466 4.660 -0.001 0.000 0.307 340 W C 1.709 178.008 176.519 -0.366 0.000 1.200 340 W CA 1.009 58.169 57.345 -0.308 0.000 1.297 340 W CB -0.433 28.844 29.460 -0.305 0.000 1.140 340 W HN 0.142 nan 8.180 nan 0.000 0.507 341 L N 0.779 121.630 121.223 -0.620 0.000 1.989 341 L HA -0.223 4.116 4.340 -0.001 0.000 0.211 341 L C 2.419 178.987 176.870 -0.504 0.000 1.071 341 L CA 2.920 57.334 54.840 -0.709 0.000 0.749 341 L CB -1.379 40.330 42.059 -0.584 0.000 0.890 341 L HN -0.021 nan 8.230 nan 0.000 0.431 342 T N -1.042 113.291 114.554 -0.369 0.000 2.720 342 T HA -0.277 4.072 4.350 -0.001 0.000 0.268 342 T C 1.764 176.234 174.700 -0.383 0.000 1.037 342 T CA 1.829 63.760 62.100 -0.282 0.000 1.144 342 T CB -0.210 68.537 68.868 -0.201 0.000 0.864 342 T HN 0.521 nan 8.240 nan 0.000 0.444 343 Q N -0.085 119.398 119.800 -0.528 0.000 2.187 343 Q HA -0.066 4.273 4.340 -0.001 0.000 0.199 343 Q C 1.874 177.538 176.000 -0.560 0.000 0.957 343 Q CA 0.924 56.333 55.803 -0.656 0.000 0.857 343 Q CB 0.211 28.583 28.738 -0.611 0.000 0.929 343 Q HN 0.319 nan 8.270 nan 0.000 0.453 344 E N -0.944 118.798 120.200 -0.764 0.000 2.389 344 E HA 0.016 4.366 4.350 -0.001 0.000 0.199 344 E C 0.694 176.698 176.600 -0.995 0.000 0.978 344 E CA 0.516 56.371 56.400 -0.908 0.000 0.912 344 E CB 0.637 29.521 29.700 -1.360 0.000 0.907 344 E HN 0.447 nan 8.360 nan 0.000 0.494 345 H N -1.036 117.721 119.070 -0.521 0.000 3.230 345 H HA 0.213 4.768 4.556 -0.002 0.000 0.259 345 H C 0.594 175.787 175.328 -0.224 0.000 1.195 345 H CA 0.449 56.297 56.048 -0.333 0.000 1.112 345 H CB 1.183 30.736 29.762 -0.349 0.000 1.638 345 H HN 0.147 nan 8.280 nan 0.000 0.624 346 G N 1.858 110.563 108.800 -0.160 0.000 2.356 346 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.296 346 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.296 346 G C -0.192 174.672 174.900 -0.061 0.000 1.022 346 G CA 0.651 45.694 45.100 -0.095 0.000 0.961 346 G HN 0.212 nan 8.290 nan 0.000 0.510 347 V N -0.164 119.701 119.914 -0.082 0.000 2.524 347 V HA 0.751 4.870 4.120 -0.001 0.000 0.297 347 V C 0.393 176.450 176.094 -0.061 0.000 1.035 347 V CA -0.498 61.774 62.300 -0.047 0.000 0.867 347 V CB 1.654 33.462 31.823 -0.026 0.000 1.004 347 V HN 1.170 nan 8.190 nan 0.000 0.426 348 A N 4.063 126.862 122.820 -0.035 0.000 2.301 348 A HA 0.973 5.292 4.320 -0.001 0.000 0.298 348 A C 0.177 177.759 177.584 -0.003 0.000 1.185 348 A CA 0.293 52.310 52.037 -0.034 0.000 0.830 348 A CB 1.118 20.102 19.000 -0.026 0.000 1.112 348 A HN 1.442 nan 8.150 nan 0.000 0.508 349 A N 2.024 124.845 122.820 0.003 0.000 2.524 349 A HA 0.811 5.130 4.320 -0.001 0.000 0.286 349 A C -1.105 176.487 177.584 0.013 0.000 1.203 349 A CA -0.513 51.550 52.037 0.044 0.000 0.736 349 A CB 0.943 20.006 19.000 0.104 0.000 1.322 349 A HN 0.638 nan 8.150 nan 0.000 0.424 350 I N 1.735 122.326 120.570 0.036 0.000 2.406 350 I HA 0.379 4.548 4.170 -0.001 0.000 0.290 350 I C -2.425 173.758 176.117 0.110 0.000 0.999 350 I CA -2.292 59.000 61.300 -0.014 0.000 1.124 350 I CB 1.497 39.468 38.000 -0.049 0.000 1.289 350 I HN 0.378 nan 8.210 nan 0.000 0.441 351 P HA 0.047 nan 4.420 nan 0.000 0.271 351 P C 0.671 178.121 177.300 0.250 0.000 1.216 351 P CA -0.412 62.804 63.100 0.194 0.000 0.776 351 P CB 1.570 33.364 31.700 0.156 0.000 0.881 352 L N 3.741 125.142 121.223 0.297 0.000 2.362 352 L HA -0.136 4.203 4.340 -0.001 0.000 0.219 352 L C 2.361 179.362 176.870 0.218 0.000 1.134 352 L CA 1.826 56.838 54.840 0.287 0.000 0.807 352 L CB -1.210 40.968 42.059 0.198 0.000 0.927 352 L HN 0.411 nan 8.230 nan 0.000 0.447 353 S N -1.627 114.207 115.700 0.224 0.000 2.423 353 S HA -0.134 4.335 4.470 -0.001 0.000 0.231 353 S C 1.883 176.521 174.600 0.062 0.000 1.014 353 S CA 0.992 59.292 58.200 0.166 0.000 0.965 353 S CB -1.264 62.062 63.200 0.210 0.000 0.785 353 S HN 0.371 nan 8.310 nan 0.000 0.495 354 V N -2.264 117.637 119.914 -0.021 0.000 3.141 354 V HA 0.217 4.336 4.120 -0.001 0.000 0.265 354 V C 1.531 177.434 176.094 -0.319 0.000 1.126 354 V CA 0.877 63.061 62.300 -0.193 0.000 1.141 354 V CB -1.420 30.201 31.823 -0.337 0.000 0.743 354 V HN 0.400 nan 8.190 nan 0.000 0.492 355 F N 0.229 120.158 119.950 -0.035 0.000 2.727 355 F HA 0.404 4.931 4.527 -0.001 0.000 0.302 355 F C 1.165 176.928 175.800 -0.062 0.000 1.097 355 F CA -0.421 57.547 58.000 -0.054 0.000 1.330 355 F CB -0.125 38.814 39.000 -0.102 0.000 1.084 355 F HN 0.193 nan 8.300 nan 0.000 0.578 356 C N -0.040 119.296 119.300 0.060 0.000 2.411 356 C HA 0.704 5.163 4.460 -0.001 0.000 0.330 356 C C 1.674 176.700 174.990 0.060 0.000 1.224 356 C CA -0.739 58.306 59.018 0.045 0.000 1.770 356 C CB 0.880 28.618 27.740 -0.003 0.000 2.297 356 C HN 0.459 nan 8.230 nan 0.000 0.507 357 A N 1.363 124.226 122.820 0.072 0.000 1.935 357 A HA 0.080 4.399 4.320 -0.001 0.000 0.214 357 A C 0.584 178.210 177.584 0.070 0.000 1.178 357 A CA 1.227 53.300 52.037 0.060 0.000 0.640 357 A CB -0.112 18.923 19.000 0.058 0.000 0.825 357 A HN 0.881 nan 8.150 nan 0.000 0.447 358 D N -0.282 120.175 120.400 0.095 0.000 2.272 358 D HA 0.466 5.105 4.640 -0.001 0.000 0.247 358 D C -2.679 173.709 176.300 0.148 0.000 0.990 358 D CA -1.571 52.492 54.000 0.104 0.000 0.931 358 D CB 0.208 41.068 40.800 0.100 0.000 1.195 358 D HN -0.087 nan 8.370 nan 0.000 0.477 359 P HA -0.044 nan 4.420 nan 0.000 0.261 359 P C -0.712 176.737 177.300 0.248 0.000 1.165 359 P CA 0.312 63.501 63.100 0.148 0.000 0.759 359 P CB 0.137 31.884 31.700 0.079 0.000 0.772 360 F N 6.038 126.035 119.950 0.077 0.000 2.366 360 F HA 0.387 4.913 4.527 -0.001 0.000 0.366 360 F C -2.091 173.722 175.800 0.021 0.000 1.096 360 F CA -3.179 54.898 58.000 0.129 0.000 1.060 360 F CB 1.149 40.276 39.000 0.212 0.000 1.282 360 F HN 0.200 nan 8.300 nan 0.000 0.450 361 P HA 0.213 nan 4.420 nan 0.000 0.225 361 P C -1.152 175.520 177.300 -1.047 0.000 1.813 361 P CA 0.454 63.212 63.100 -0.569 0.000 1.013 361 P CB -0.153 31.251 31.700 -0.493 0.000 1.961 362 H N -0.015 118.840 119.070 -0.357 0.000 2.990 362 H HA 0.334 4.889 4.556 -0.002 0.000 0.336 362 H C -0.280 174.917 175.328 -0.218 0.000 1.306 362 H CA -0.794 55.035 56.048 -0.365 0.000 1.118 362 H CB 1.755 31.154 29.762 -0.606 0.000 1.856 362 H HN -0.027 nan 8.280 nan 0.000 0.538 363 K N 1.695 121.974 120.400 -0.202 0.000 2.724 363 K HA 0.300 4.619 4.320 -0.001 0.000 0.198 363 K C -0.978 175.371 176.600 -0.418 0.000 1.099 363 K CA -0.394 55.539 56.287 -0.590 0.000 1.025 363 K CB 0.250 31.997 32.500 -1.255 0.000 1.509 363 K HN 0.035 nan 8.250 nan 0.000 0.564 364 L N 2.408 123.683 121.223 0.086 0.000 2.346 364 L HA 0.622 4.961 4.340 -0.001 0.000 0.274 364 L C -0.243 176.831 176.870 0.340 0.000 1.007 364 L CA -1.040 53.933 54.840 0.221 0.000 0.818 364 L CB 1.529 43.774 42.059 0.310 0.000 1.284 364 L HN 0.334 nan 8.230 nan 0.000 0.424 365 I N -0.647 120.104 120.570 0.302 0.000 2.828 365 I HA 0.662 4.832 4.170 -0.001 0.000 0.302 365 I C -0.659 175.570 176.117 0.186 0.000 1.101 365 I CA -1.003 60.464 61.300 0.278 0.000 1.031 365 I CB 2.385 40.586 38.000 0.336 0.000 1.231 365 I HN 0.536 nan 8.210 nan 0.000 0.427 366 R N 4.429 125.010 120.500 0.135 0.000 2.393 366 R HA 0.730 5.069 4.340 -0.001 0.000 0.310 366 R C -1.721 174.663 176.300 0.139 0.000 0.968 366 R CA -0.657 55.486 56.100 0.073 0.000 0.867 366 R CB 1.446 31.688 30.300 -0.098 0.000 1.124 366 R HN 0.757 nan 8.270 nan 0.000 0.450 367 L N 3.669 125.011 121.223 0.197 0.000 2.346 367 L HA 0.491 4.830 4.340 -0.001 0.000 0.274 367 L C -0.527 176.534 176.870 0.318 0.000 1.007 367 L CA -1.092 53.883 54.840 0.226 0.000 0.818 367 L CB 2.072 44.257 42.059 0.210 0.000 1.284 367 L HN 0.677 nan 8.230 nan 0.000 0.424 368 C N 3.321 122.773 119.300 0.253 0.000 2.303 368 C HA 0.503 4.962 4.460 -0.001 0.000 0.326 368 C C 0.787 175.798 174.990 0.035 0.000 1.285 368 C CA -0.679 58.407 59.018 0.113 0.000 1.675 368 C CB -0.188 27.611 27.740 0.098 0.000 2.289 368 C HN 0.752 nan 8.230 nan 0.000 0.512 369 F N 3.403 123.346 119.950 -0.011 0.000 2.647 369 F HA 0.514 5.040 4.527 -0.001 0.000 0.300 369 F C 0.929 176.733 175.800 0.007 0.000 1.106 369 F CA -0.311 57.692 58.000 0.004 0.000 1.313 369 F CB -0.628 38.393 39.000 0.035 0.000 1.007 369 F HN 0.551 nan 8.300 nan 0.000 0.536 370 A N 1.932 124.573 122.820 -0.299 0.000 3.063 370 A HA 0.445 4.764 4.320 -0.001 0.000 0.263 370 A C 0.165 177.753 177.584 0.007 0.000 1.736 370 A CA -0.279 51.638 52.037 -0.199 0.000 1.408 370 A CB -0.634 17.677 19.000 -1.148 0.000 1.108 370 A HN 0.251 nan 8.150 nan 0.000 0.621 371 K N 0.458 121.001 120.400 0.237 0.000 2.466 371 K HA 0.421 4.740 4.320 -0.001 0.000 0.260 371 K C -0.599 176.190 176.600 0.314 0.000 1.011 371 K CA -0.839 55.590 56.287 0.238 0.000 0.871 371 K CB 1.278 33.836 32.500 0.097 0.000 1.404 371 K HN 0.394 nan 8.250 nan 0.000 0.450 372 K N 1.190 121.757 120.400 0.279 0.000 2.319 372 K HA -0.043 4.276 4.320 -0.001 0.000 0.265 372 K C 1.199 177.826 176.600 0.045 0.000 1.000 372 K CA 0.222 56.594 56.287 0.141 0.000 0.943 372 K CB 0.504 33.084 32.500 0.135 0.000 0.950 372 K HN 0.606 nan 8.250 nan 0.000 0.485 373 E N 1.401 121.592 120.200 -0.015 0.000 2.070 373 E HA -0.252 4.097 4.350 -0.001 0.000 0.197 373 E C 1.673 178.272 176.600 -0.002 0.000 1.004 373 E CA 2.309 58.693 56.400 -0.027 0.000 0.805 373 E CB 0.010 29.683 29.700 -0.045 0.000 0.744 373 E HN 0.646 nan 8.360 nan 0.000 0.451 374 S N -1.003 114.703 115.700 0.010 0.000 2.400 374 S HA -0.183 4.286 4.470 -0.001 0.000 0.232 374 S C 2.059 176.672 174.600 0.022 0.000 1.025 374 S CA 1.594 59.803 58.200 0.015 0.000 0.993 374 S CB -0.797 62.415 63.200 0.020 0.000 0.808 374 S HN 0.299 nan 8.310 nan 0.000 0.478 375 T N 3.126 117.701 114.554 0.035 0.000 2.770 375 T HA 0.160 4.509 4.350 -0.001 0.000 0.263 375 T C 1.780 176.500 174.700 0.033 0.000 1.039 375 T CA 1.372 63.495 62.100 0.037 0.000 1.142 375 T CB -0.522 68.377 68.868 0.052 0.000 0.868 375 T HN 0.316 nan 8.240 nan 0.000 0.435 376 L N 0.490 121.735 121.223 0.036 0.000 2.083 376 L HA -0.034 4.305 4.340 -0.001 0.000 0.209 376 L C 2.492 179.369 176.870 0.013 0.000 1.083 376 L CA 1.090 55.949 54.840 0.032 0.000 0.752 376 L CB -0.688 41.387 42.059 0.026 0.000 0.899 376 L HN 0.241 nan 8.230 nan 0.000 0.433 377 L N -0.391 120.835 121.223 0.005 0.000 2.056 377 L HA -0.158 4.181 4.340 -0.001 0.000 0.207 377 L C 2.894 179.766 176.870 0.004 0.000 1.078 377 L CA 1.086 55.925 54.840 -0.001 0.000 0.749 377 L CB -0.709 41.347 42.059 -0.005 0.000 0.901 377 L HN 0.227 nan 8.230 nan 0.000 0.433 378 A N 0.038 122.864 122.820 0.009 0.000 1.930 378 A HA -0.129 4.190 4.320 -0.001 0.000 0.217 378 A C 2.523 180.114 177.584 0.011 0.000 1.175 378 A CA 1.634 53.676 52.037 0.010 0.000 0.627 378 A CB -0.618 18.389 19.000 0.012 0.000 0.815 378 A HN 0.390 nan 8.150 nan 0.000 0.443 379 A N -0.090 122.740 122.820 0.016 0.000 1.898 379 A HA 0.195 4.515 4.320 -0.001 0.000 0.216 379 A C 2.502 180.095 177.584 0.015 0.000 1.181 379 A CA 1.944 53.992 52.037 0.019 0.000 0.620 379 A CB -1.015 18.004 19.000 0.032 0.000 0.819 379 A HN 1.037 nan 8.150 nan 0.000 0.442 380 A N -0.176 122.651 122.820 0.011 0.000 1.908 380 A HA -0.231 4.088 4.320 -0.001 0.000 0.218 380 A C 2.042 179.628 177.584 0.003 0.000 1.181 380 A CA 1.939 53.978 52.037 0.004 0.000 0.627 380 A CB -0.585 18.412 19.000 -0.005 0.000 0.818 380 A HN 0.696 nan 8.150 nan 0.000 0.445 381 E N -0.380 119.823 120.200 0.004 0.000 2.110 381 E HA -0.204 4.145 4.350 -0.001 0.000 0.193 381 E C 2.207 178.812 176.600 0.009 0.000 0.988 381 E CA 1.132 57.536 56.400 0.006 0.000 0.804 381 E CB -0.081 29.623 29.700 0.007 0.000 0.745 381 E HN 0.629 nan 8.360 nan 0.000 0.458 382 R N -0.099 120.406 120.500 0.010 0.000 2.119 382 R HA 0.019 4.359 4.340 -0.001 0.000 0.222 382 R C 2.513 178.804 176.300 -0.016 0.000 1.088 382 R CA 0.689 56.797 56.100 0.014 0.000 0.984 382 R CB -0.109 30.201 30.300 0.015 0.000 0.884 382 R HN 0.245 nan 8.270 nan 0.000 0.447 383 L N 0.089 121.304 121.223 -0.013 0.000 2.201 383 L HA -0.079 4.260 4.340 -0.001 0.000 0.212 383 L C 2.236 179.092 176.870 -0.024 0.000 1.105 383 L CA 1.000 55.828 54.840 -0.020 0.000 0.775 383 L CB -0.154 41.913 42.059 0.014 0.000 0.913 383 L HN 0.055 nan 8.230 nan 0.000 0.440 384 R N -0.325 120.168 120.500 -0.011 0.000 2.323 384 R HA -0.058 4.281 4.340 -0.001 0.000 0.198 384 R C 1.841 178.140 176.300 -0.002 0.000 0.988 384 R CA 0.391 56.490 56.100 -0.002 0.000 1.041 384 R CB 0.133 30.436 30.300 0.004 0.000 0.926 384 R HN 0.469 nan 8.270 nan 0.000 0.476 385 Q N -0.528 119.260 119.800 -0.020 0.000 2.424 385 Q HA 0.045 4.384 4.340 -0.001 0.000 0.204 385 Q C -0.235 175.747 176.000 -0.030 0.000 0.933 385 Q CA 0.286 56.093 55.803 0.006 0.000 0.929 385 Q CB 0.417 29.203 28.738 0.079 0.000 1.037 385 Q HN 0.115 nan 8.270 nan 0.000 0.511 386 L N 0.000 121.169 121.223 -0.091 0.000 2.949 386 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 386 L CA 0.000 54.818 54.840 -0.036 0.000 0.813 386 L CB 0.000 42.032 42.059 -0.045 0.000 0.961 386 L HN 0.000 nan 8.230 nan 0.000 0.502