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 3om8_1_B DATA FIRST_RESID 0 DATA SEQUENCE NAGNLSFLAT SDGASLAYRL DGAAEKPLLA LSNSIGTTLH XWDAQLPALT DATA SEQUENCE RHFRVLRYDA RGHGASSVPP GPYTLARLGE DVLELLDALE VRRAHFLGLS DATA SEQUENCE LGGIVGQWLA LHAPQRIERL VLANTSAWLG PAAQWDERIA AVLQAEDXSE DATA SEQUENCE TAAGFLGNWF PPALLERAEP VVERFRAXLX ATNRHGLAGS FAAVRDTDLR DATA SEQUENCE AQLARIERPT LVIAGAYDTV TAASHGELIA ASIAGARLVT LPAVHLSNVE DATA SEQUENCE FPQAFEGAVL SFLGA 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 0 N HA 0.000 nan 4.740 nan 0.000 0.220 0 N C 0.000 175.522 175.510 0.020 0.000 1.280 0 N CA 0.000 53.064 53.050 0.023 0.000 0.885 0 N CB 0.000 38.499 38.487 0.020 0.000 1.341 1 A N -0.377 122.453 122.820 0.017 0.000 5.236 1 A HA -0.183 4.138 4.320 0.001 0.000 0.326 1 A C 0.931 178.519 177.584 0.008 0.000 1.825 1 A CA 2.558 54.602 52.037 0.011 0.000 0.710 1 A CB -2.028 16.976 19.000 0.006 0.000 1.383 1 A HN 1.380 nan 8.150 nan 0.000 0.386 2 G N -1.694 107.103 108.800 -0.005 0.000 4.637 2 G HA2 0.448 4.408 3.960 0.001 0.000 0.294 2 G HA3 0.448 4.408 3.960 0.001 0.000 0.294 2 G C 0.299 175.172 174.900 -0.046 0.000 1.215 2 G CA 0.968 46.052 45.100 -0.026 0.000 0.943 2 G HN 0.549 nan 8.290 nan 0.000 0.572 3 N N 0.435 119.116 118.700 -0.032 0.000 2.120 3 N HA -0.007 4.734 4.740 0.001 0.000 0.188 3 N C 0.686 176.126 175.510 -0.116 0.000 1.024 3 N CA 0.911 53.937 53.050 -0.040 0.000 0.852 3 N CB 0.182 38.671 38.487 0.003 0.000 1.003 3 N HN 0.352 nan 8.380 nan 0.000 0.424 4 L N -0.573 120.546 121.223 -0.174 0.000 2.371 4 L HA 0.392 4.733 4.340 0.001 0.000 0.262 4 L C -0.411 176.142 176.870 -0.528 0.000 1.006 4 L CA -0.528 54.073 54.840 -0.398 0.000 0.818 4 L CB 2.430 44.188 42.059 -0.502 0.000 1.354 4 L HN -0.193 nan 8.230 nan 0.000 0.415 5 S N 0.320 115.518 115.700 -0.836 0.000 2.648 5 S HA 0.784 5.255 4.470 0.001 0.000 0.305 5 S C -1.233 172.780 174.600 -0.978 0.000 1.094 5 S CA -0.416 57.297 58.200 -0.813 0.000 0.983 5 S CB 1.585 64.195 63.200 -0.984 0.000 1.101 5 S HN 0.264 nan 8.310 nan 0.000 0.514 6 F N 1.328 121.231 119.950 -0.079 0.000 2.547 6 F HA 0.564 5.092 4.527 0.001 0.000 0.316 6 F C -0.573 175.376 175.800 0.249 0.000 1.121 6 F CA -0.818 57.253 58.000 0.117 0.000 0.911 6 F CB 1.390 40.424 39.000 0.056 0.000 1.179 6 F HN 0.285 nan 8.300 nan 0.000 0.443 7 L N 3.385 124.870 121.223 0.437 0.000 2.296 7 L HA 0.852 5.192 4.340 0.001 0.000 0.286 7 L C -0.429 176.539 176.870 0.162 0.000 1.023 7 L CA -0.509 54.478 54.840 0.246 0.000 0.812 7 L CB 1.208 43.312 42.059 0.076 0.000 1.223 7 L HN 0.687 nan 8.230 nan 0.000 0.421 8 A N 3.463 126.349 122.820 0.110 0.000 2.310 8 A HA 0.552 4.873 4.320 0.001 0.000 0.300 8 A C 0.448 178.049 177.584 0.030 0.000 1.269 8 A CA 0.040 52.117 52.037 0.065 0.000 0.909 8 A CB -0.392 18.638 19.000 0.050 0.000 1.144 8 A HN 0.837 nan 8.150 nan 0.000 0.540 9 T N 0.330 114.893 114.554 0.015 0.000 2.813 9 T HA 0.251 4.602 4.350 0.001 0.000 0.297 9 T C 1.467 176.160 174.700 -0.012 0.000 1.036 9 T CA 0.119 62.212 62.100 -0.012 0.000 1.044 9 T CB 0.756 69.606 68.868 -0.029 0.000 0.993 9 T HN 1.159 nan 8.240 nan 0.000 0.535 10 S N 0.166 115.853 115.700 -0.020 0.000 2.442 10 S HA -0.140 4.330 4.470 0.001 0.000 0.236 10 S C 1.168 175.759 174.600 -0.014 0.000 1.007 10 S CA 0.964 59.155 58.200 -0.015 0.000 0.965 10 S CB -0.575 62.615 63.200 -0.017 0.000 0.773 10 S HN 0.930 nan 8.310 nan 0.000 0.504 11 D N 0.089 120.476 120.400 -0.021 0.000 2.424 11 D HA 0.268 4.908 4.640 0.001 0.000 0.220 11 D C 1.093 177.384 176.300 -0.016 0.000 1.150 11 D CA 0.254 54.242 54.000 -0.019 0.000 0.831 11 D CB -0.442 40.342 40.800 -0.028 0.000 0.981 11 D HN 0.547 nan 8.370 nan 0.000 0.500 12 G N -0.234 108.559 108.800 -0.011 0.000 2.182 12 G HA2 -0.019 3.942 3.960 0.001 0.000 0.248 12 G HA3 -0.019 3.942 3.960 0.001 0.000 0.248 12 G C 0.323 175.219 174.900 -0.006 0.000 1.042 12 G CA 0.052 45.148 45.100 -0.006 0.000 0.775 12 G HN 0.810 nan 8.290 nan 0.000 0.501 13 A N -0.862 121.953 122.820 -0.007 0.000 2.282 13 A HA 0.937 5.258 4.320 0.001 0.000 0.324 13 A C 0.444 178.046 177.584 0.031 0.000 1.119 13 A CA 0.372 52.410 52.037 0.001 0.000 0.880 13 A CB 1.734 20.720 19.000 -0.023 0.000 1.294 13 A HN 1.565 nan 8.150 nan 0.000 0.493 14 S N -0.085 115.650 115.700 0.059 0.000 2.552 14 S HA 0.617 5.087 4.470 0.001 0.000 0.314 14 S C -1.087 173.633 174.600 0.199 0.000 1.099 14 S CA -0.508 57.767 58.200 0.126 0.000 1.070 14 S CB -0.031 63.224 63.200 0.092 0.000 0.998 14 S HN 0.515 nan 8.310 nan 0.000 0.474 15 L N 4.163 125.528 121.223 0.236 0.000 2.296 15 L HA 0.667 5.007 4.340 0.001 0.000 0.286 15 L C 0.419 177.492 176.870 0.339 0.000 1.023 15 L CA -0.817 54.178 54.840 0.259 0.000 0.812 15 L CB 1.510 43.674 42.059 0.174 0.000 1.223 15 L HN 0.746 nan 8.230 nan 0.000 0.421 16 A N 4.231 127.213 122.820 0.270 0.000 2.331 16 A HA 0.633 4.954 4.320 0.001 0.000 0.283 16 A C -0.948 176.697 177.584 0.101 0.000 1.142 16 A CA -0.132 51.888 52.037 -0.028 0.000 0.812 16 A CB 0.274 19.253 19.000 -0.036 0.000 1.074 16 A HN 0.702 nan 8.150 nan 0.000 0.497 17 Y N 0.141 120.316 120.300 -0.208 0.000 2.638 17 Y HA 0.825 5.376 4.550 0.001 0.000 0.335 17 Y C -0.619 175.202 175.900 -0.133 0.000 1.155 17 Y CA -1.348 56.703 58.100 -0.081 0.000 1.046 17 Y CB 1.341 39.796 38.460 -0.007 0.000 1.303 17 Y HN 0.896 nan 8.280 nan 0.000 0.460 18 R N 1.746 122.238 120.500 -0.014 0.000 2.643 18 R HA 0.763 5.103 4.340 0.001 0.000 0.269 18 R C -2.496 173.826 176.300 0.037 0.000 1.037 18 R CA -0.993 55.049 56.100 -0.097 0.000 0.894 18 R CB 1.880 32.100 30.300 -0.134 0.000 1.238 18 R HN 0.775 nan 8.270 nan 0.000 0.459 19 L N 1.716 122.952 121.223 0.022 0.000 2.317 19 L HA 0.529 4.870 4.340 0.001 0.000 0.281 19 L C -0.544 176.337 176.870 0.018 0.000 1.024 19 L CA -0.542 54.324 54.840 0.044 0.000 0.810 19 L CB 1.858 43.956 42.059 0.066 0.000 1.240 19 L HN 0.606 nan 8.230 nan 0.000 0.427 20 D N 1.841 122.256 120.400 0.026 0.000 2.619 20 D HA 0.657 5.297 4.640 0.001 0.000 0.241 20 D C -0.112 176.210 176.300 0.035 0.000 1.087 20 D CA 0.049 54.064 54.000 0.024 0.000 0.851 20 D CB 2.535 43.349 40.800 0.024 0.000 1.474 20 D HN 0.727 nan 8.370 nan 0.000 0.478 21 G N 0.341 109.157 108.800 0.028 0.000 2.663 21 G HA2 0.231 4.192 3.960 0.001 0.000 0.686 21 G HA3 0.231 4.192 3.960 0.001 0.000 0.686 21 G C -0.378 174.534 174.900 0.020 0.000 1.288 21 G CA -0.487 44.629 45.100 0.026 0.000 0.836 21 G HN 0.654 nan 8.290 nan 0.000 0.584 22 A N 0.187 123.012 122.820 0.008 0.000 2.511 22 A HA 0.742 5.062 4.320 0.001 0.000 0.242 22 A C 1.798 179.390 177.584 0.014 0.000 1.069 22 A CA 1.094 53.132 52.037 0.003 0.000 0.763 22 A CB 0.502 19.494 19.000 -0.013 0.000 1.001 22 A HN 2.537 nan 8.150 nan 0.000 0.498 23 A N 1.785 124.613 122.820 0.014 0.000 1.972 23 A HA -0.117 4.204 4.320 0.001 0.000 0.219 23 A C 1.829 179.424 177.584 0.019 0.000 1.169 23 A CA 1.624 53.673 52.037 0.020 0.000 0.635 23 A CB -0.352 18.657 19.000 0.016 0.000 0.810 23 A HN 0.909 nan 8.150 nan 0.000 0.446 24 E N 0.842 121.048 120.200 0.010 0.000 2.347 24 E HA -0.058 4.292 4.350 0.001 0.000 0.196 24 E C 0.306 176.914 176.600 0.012 0.000 1.008 24 E CA 0.394 56.799 56.400 0.008 0.000 0.852 24 E CB -0.282 29.417 29.700 -0.002 0.000 0.783 24 E HN 0.529 nan 8.360 nan 0.000 0.505 25 K N 1.988 122.397 120.400 0.016 0.000 2.219 25 K HA 0.222 4.543 4.320 0.001 0.000 0.258 25 K C -2.378 174.271 176.600 0.082 0.000 1.008 25 K CA -1.874 54.426 56.287 0.022 0.000 0.928 25 K CB 0.228 32.725 32.500 -0.004 0.000 0.983 25 K HN -0.057 nan 8.250 nan 0.000 0.484 26 P HA -0.059 nan 4.420 nan 0.000 0.269 26 P C -0.803 176.667 177.300 0.284 0.000 1.209 26 P CA -0.235 62.996 63.100 0.217 0.000 0.776 26 P CB 0.434 32.349 31.700 0.359 0.000 0.876 27 L N 4.256 125.564 121.223 0.143 0.000 2.319 27 L HA 0.334 4.674 4.340 0.001 0.000 0.280 27 L C -0.656 176.254 176.870 0.066 0.000 1.099 27 L CA -0.435 54.462 54.840 0.095 0.000 0.828 27 L CB 0.300 42.376 42.059 0.029 0.000 1.150 27 L HN 0.272 nan 8.230 nan 0.000 0.442 28 L N 5.720 126.965 121.223 0.037 0.000 2.319 28 L HA 0.656 4.997 4.340 0.001 0.000 0.281 28 L C -0.406 176.397 176.870 -0.111 0.000 1.005 28 L CA -0.239 54.548 54.840 -0.088 0.000 0.828 28 L CB 1.458 43.353 42.059 -0.274 0.000 1.227 28 L HN 0.669 nan 8.230 nan 0.000 0.415 29 A N 6.374 129.118 122.820 -0.127 0.000 2.290 29 A HA 0.745 5.066 4.320 0.001 0.000 0.310 29 A C -0.910 176.409 177.584 -0.441 0.000 1.202 29 A CA -0.544 51.390 52.037 -0.172 0.000 0.837 29 A CB 0.398 19.383 19.000 -0.026 0.000 1.139 29 A HN 0.749 nan 8.150 nan 0.000 0.509 30 L N 1.836 122.809 121.223 -0.416 0.000 2.317 30 L HA 0.639 4.980 4.340 0.001 0.000 0.281 30 L C 0.368 177.035 176.870 -0.339 0.000 1.024 30 L CA -0.464 53.992 54.840 -0.642 0.000 0.810 30 L CB 1.913 43.373 42.059 -0.999 0.000 1.240 30 L HN 0.657 nan 8.230 nan 0.000 0.427 31 S N 2.071 117.587 115.700 -0.307 0.000 2.532 31 S HA 0.513 4.984 4.470 0.001 0.000 0.299 31 S C -0.549 174.130 174.600 0.133 0.000 1.105 31 S CA -0.871 57.310 58.200 -0.030 0.000 1.018 31 S CB 1.083 64.431 63.200 0.247 0.000 1.021 31 S HN 0.616 nan 8.310 nan 0.000 0.483 32 N N 1.858 120.561 118.700 0.004 0.000 2.434 32 N HA 0.244 4.985 4.740 0.001 0.000 0.266 32 N C -0.018 175.455 175.510 -0.063 0.000 1.223 32 N CA -0.396 52.662 53.050 0.012 0.000 0.972 32 N CB 0.924 39.317 38.487 -0.156 0.000 1.207 32 N HN 0.585 nan 8.380 nan 0.000 0.525 33 S N -0.210 115.406 115.700 -0.139 0.000 2.593 33 S HA 0.200 4.670 4.470 0.001 0.000 0.269 33 S C 0.531 175.077 174.600 -0.089 0.000 1.334 33 S CA -0.760 57.387 58.200 -0.087 0.000 1.015 33 S CB 0.203 63.278 63.200 -0.209 0.000 0.912 33 S HN 0.433 nan 8.310 nan 0.000 0.541 34 I N 2.874 123.481 120.570 0.061 0.000 2.872 34 I HA 0.288 4.459 4.170 0.001 0.000 0.291 34 I C 1.417 177.619 176.117 0.143 0.000 1.216 34 I CA 1.546 62.910 61.300 0.106 0.000 1.424 34 I CB -0.048 38.122 38.000 0.283 0.000 1.351 34 I HN 1.056 nan 8.210 nan 0.000 0.592 35 G N 3.781 112.733 108.800 0.253 0.000 2.162 35 G HA2 -0.275 3.685 3.960 0.001 0.000 0.260 35 G HA3 -0.275 3.685 3.960 0.001 0.000 0.260 35 G C 0.182 175.199 174.900 0.196 0.000 0.976 35 G CA 0.579 45.730 45.100 0.085 0.000 0.655 35 G HN 1.063 nan 8.290 nan 0.000 0.533 36 T N -2.666 111.953 114.554 0.110 0.000 2.858 36 T HA 0.851 5.201 4.350 0.001 0.000 0.285 36 T C 0.131 174.804 174.700 -0.044 0.000 1.052 36 T CA 0.577 62.689 62.100 0.020 0.000 1.009 36 T CB 2.346 71.165 68.868 -0.081 0.000 1.241 36 T HN 1.309 nan 8.240 nan 0.000 0.542 37 T N -1.043 113.455 114.554 -0.092 0.000 2.910 37 T HA 0.476 4.827 4.350 0.001 0.000 0.287 37 T C 1.306 175.934 174.700 -0.119 0.000 1.050 37 T CA -0.523 61.535 62.100 -0.070 0.000 1.011 37 T CB 0.742 69.616 68.868 0.011 0.000 1.195 37 T HN 0.866 nan 8.240 nan 0.000 0.540 38 L N -1.423 119.735 121.223 -0.107 0.000 2.450 38 L HA 0.215 4.555 4.340 0.001 0.000 0.224 38 L C 1.236 178.041 176.870 -0.108 0.000 1.149 38 L CA 0.874 55.674 54.840 -0.066 0.000 0.816 38 L CB -1.635 40.359 42.059 -0.108 0.000 0.932 38 L HN 0.560 nan 8.230 nan 0.000 0.449 42 D N 1.360 121.857 120.400 0.162 0.000 2.133 42 D HA -0.197 4.444 4.640 0.001 0.000 0.195 42 D C 2.168 178.540 176.300 0.119 0.000 0.997 42 D CA 2.187 56.271 54.000 0.140 0.000 0.840 42 D CB -0.476 40.403 40.800 0.131 0.000 0.947 42 D HN 0.203 nan 8.370 nan 0.000 0.452 43 A N 0.268 123.149 122.820 0.102 0.000 1.969 43 A HA -0.182 4.139 4.320 0.001 0.000 0.218 43 A C 2.041 179.694 177.584 0.116 0.000 1.169 43 A CA 1.284 53.374 52.037 0.088 0.000 0.635 43 A CB -0.347 18.689 19.000 0.060 0.000 0.810 43 A HN 0.097 nan 8.150 nan 0.000 0.445 44 Q N -0.465 119.433 119.800 0.164 0.000 2.389 44 Q HA 0.203 4.543 4.340 0.001 0.000 0.204 44 Q C 1.792 177.887 176.000 0.158 0.000 0.944 44 Q CA 0.223 56.140 55.803 0.191 0.000 0.908 44 Q CB -0.279 28.627 28.738 0.279 0.000 1.002 44 Q HN 0.661 nan 8.270 nan 0.000 0.493 45 L N 0.627 121.931 121.223 0.135 0.000 1.990 45 L HA -0.195 4.145 4.340 0.001 0.000 0.213 45 L C -0.714 176.213 176.870 0.096 0.000 1.072 45 L CA 1.788 56.690 54.840 0.104 0.000 0.755 45 L CB -1.435 40.677 42.059 0.087 0.000 0.889 45 L HN 0.215 nan 8.230 nan 0.000 0.432 46 P HA -0.186 nan 4.420 nan 0.000 0.214 46 P C 1.410 178.761 177.300 0.087 0.000 1.163 46 P CA 1.967 65.109 63.100 0.071 0.000 0.889 46 P CB -0.038 31.700 31.700 0.064 0.000 0.790 47 A N -0.915 121.976 122.820 0.118 0.000 1.898 47 A HA -0.134 4.187 4.320 0.001 0.000 0.216 47 A C 2.251 179.967 177.584 0.219 0.000 1.181 47 A CA 1.328 53.460 52.037 0.158 0.000 0.620 47 A CB -1.598 17.502 19.000 0.166 0.000 0.819 47 A HN 0.095 nan 8.150 nan 0.000 0.442 48 L N -0.104 121.240 121.223 0.203 0.000 2.056 48 L HA -0.132 4.209 4.340 0.001 0.000 0.207 48 L C 2.811 179.841 176.870 0.266 0.000 1.078 48 L CA 1.794 56.790 54.840 0.259 0.000 0.749 48 L CB -0.775 41.385 42.059 0.167 0.000 0.901 48 L HN 0.635 nan 8.230 nan 0.000 0.433 49 T N -3.732 110.912 114.554 0.149 0.000 3.118 49 T HA -0.053 4.297 4.350 0.001 0.000 0.260 49 T C 1.836 176.538 174.700 0.002 0.000 1.139 49 T CA 0.138 62.292 62.100 0.091 0.000 1.085 49 T CB -0.155 68.746 68.868 0.056 0.000 0.934 49 T HN 0.219 nan 8.240 nan 0.000 0.518 50 R N 0.233 120.709 120.500 -0.040 0.000 2.120 50 R HA -0.032 4.309 4.340 0.001 0.000 0.234 50 R C 1.927 177.903 176.300 -0.539 0.000 1.123 50 R CA 1.441 57.368 56.100 -0.289 0.000 0.975 50 R CB -0.139 29.937 30.300 -0.373 0.000 0.866 50 R HN 0.657 nan 8.270 nan 0.000 0.446 51 H N -2.777 116.180 119.070 -0.188 0.000 3.091 51 H HA 0.178 4.734 4.556 0.001 0.000 0.249 51 H C -0.178 174.702 175.328 -0.747 0.000 0.985 51 H CA 0.214 55.944 56.048 -0.531 0.000 1.177 51 H CB 0.786 30.079 29.762 -0.781 0.000 1.456 51 H HN -0.053 nan 8.280 nan 0.000 0.467 52 F N 0.624 120.645 119.950 0.118 0.000 2.588 52 F HA 0.442 4.969 4.527 0.001 0.000 0.314 52 F C 0.520 176.346 175.800 0.043 0.000 1.069 52 F CA -1.178 56.870 58.000 0.081 0.000 0.931 52 F CB 1.545 40.596 39.000 0.085 0.000 1.260 52 F HN -0.323 nan 8.300 nan 0.000 0.465 53 R N 1.635 122.273 120.500 0.230 0.000 2.296 53 R HA 0.392 4.732 4.340 0.001 0.000 0.323 53 R C -1.241 175.134 176.300 0.124 0.000 1.067 53 R CA -0.232 55.948 56.100 0.132 0.000 0.946 53 R CB 0.831 31.188 30.300 0.094 0.000 0.991 53 R HN 0.477 nan 8.270 nan 0.000 0.448 54 V N 6.637 126.601 119.914 0.083 0.000 2.348 54 V HA 0.173 4.294 4.120 0.001 0.000 0.270 54 V C 0.132 176.234 176.094 0.014 0.000 1.037 54 V CA -0.813 61.504 62.300 0.029 0.000 0.872 54 V CB 1.235 33.064 31.823 0.010 0.000 1.002 54 V HN 0.490 nan 8.190 nan 0.000 0.464 55 L N 7.532 128.756 121.223 0.001 0.000 2.265 55 L HA 0.554 4.894 4.340 0.001 0.000 0.288 55 L C 0.110 176.996 176.870 0.027 0.000 1.058 55 L CA 0.438 55.298 54.840 0.034 0.000 0.809 55 L CB 0.444 42.517 42.059 0.023 0.000 1.179 55 L HN 0.567 nan 8.230 nan 0.000 0.429 56 R N 4.682 125.228 120.500 0.078 0.000 2.711 56 R HA 0.643 4.984 4.340 0.001 0.000 0.284 56 R C -1.618 174.826 176.300 0.240 0.000 0.968 56 R CA -0.742 55.412 56.100 0.090 0.000 0.924 56 R CB 2.136 32.439 30.300 0.006 0.000 1.162 56 R HN 0.750 nan 8.270 nan 0.000 0.465 57 Y N -1.843 118.472 120.300 0.024 0.000 2.581 57 Y HA 0.415 4.965 4.550 0.001 0.000 0.337 57 Y C -1.480 174.446 175.900 0.045 0.000 1.108 57 Y CA -1.463 56.670 58.100 0.055 0.000 1.033 57 Y CB 1.466 39.964 38.460 0.063 0.000 1.318 57 Y HN 0.324 nan 8.280 nan 0.000 0.459 58 D N 2.551 122.949 120.400 -0.003 0.000 2.295 58 D HA 0.459 5.099 4.640 0.001 0.000 0.248 58 D C 0.121 176.422 176.300 0.001 0.000 1.154 58 D CA 0.164 54.124 54.000 -0.067 0.000 0.857 58 D CB 1.690 42.526 40.800 0.060 0.000 1.117 58 D HN 0.902 nan 8.370 nan 0.000 0.468 59 A N 3.177 125.897 122.820 -0.166 0.000 2.492 59 A HA 0.049 4.370 4.320 0.001 0.000 0.236 59 A C 0.865 178.576 177.584 0.212 0.000 1.078 59 A CA -0.290 51.774 52.037 0.045 0.000 0.773 59 A CB 0.196 19.140 19.000 -0.093 0.000 1.023 59 A HN 0.653 nan 8.150 nan 0.000 0.504 60 R N 0.369 120.966 120.500 0.161 0.000 2.481 60 R HA 0.171 4.511 4.340 0.001 0.000 0.291 60 R C 1.200 177.589 176.300 0.148 0.000 0.934 60 R CA 1.497 57.609 56.100 0.021 0.000 1.116 60 R CB -0.526 29.618 30.300 -0.261 0.000 0.895 60 R HN 1.967 nan 8.270 nan 0.000 0.410 61 G N 2.531 111.402 108.800 0.118 0.000 2.176 61 G HA2 -0.282 3.679 3.960 0.001 0.000 0.253 61 G HA3 -0.282 3.679 3.960 0.001 0.000 0.253 61 G C -0.451 174.407 174.900 -0.071 0.000 0.979 61 G CA 0.531 45.704 45.100 0.122 0.000 0.641 61 G HN 0.792 nan 8.290 nan 0.000 0.530 62 H N -1.177 117.941 119.070 0.079 0.000 2.731 62 H HA 0.574 5.131 4.556 0.001 0.000 0.368 62 H C 1.233 176.591 175.328 0.050 0.000 1.168 62 H CA 0.609 56.686 56.048 0.048 0.000 1.181 62 H CB 1.353 31.125 29.762 0.017 0.000 1.743 62 H HN 0.962 nan 8.280 nan 0.000 0.547 63 G N 1.019 109.919 108.800 0.166 0.000 2.699 63 G HA2 -0.418 3.543 3.960 0.001 0.000 0.347 63 G HA3 -0.418 3.543 3.960 0.001 0.000 0.347 63 G C 1.139 176.113 174.900 0.122 0.000 1.225 63 G CA 1.385 46.557 45.100 0.120 0.000 0.973 63 G HN 0.932 nan 8.290 nan 0.000 0.551 64 A N -0.266 122.639 122.820 0.141 0.000 2.308 64 A HA 0.684 5.005 4.320 0.001 0.000 0.217 64 A C 1.441 179.182 177.584 0.262 0.000 1.216 64 A CA 1.491 53.644 52.037 0.192 0.000 0.864 64 A CB 0.037 19.151 19.000 0.190 0.000 0.902 64 A HN 0.844 nan 8.150 nan 0.000 0.499 65 S N 0.444 116.270 115.700 0.210 0.000 2.669 65 S HA 0.450 4.921 4.470 0.001 0.000 0.270 65 S C 0.820 175.509 174.600 0.148 0.000 1.225 65 S CA -0.070 58.260 58.200 0.216 0.000 0.991 65 S CB 1.066 64.384 63.200 0.198 0.000 0.987 65 S HN 0.679 nan 8.310 nan 0.000 0.552 66 S N 0.113 115.883 115.700 0.117 0.000 2.645 66 S HA 0.497 4.968 4.470 0.001 0.000 0.266 66 S C -0.480 174.157 174.600 0.062 0.000 1.258 66 S CA -0.700 57.540 58.200 0.067 0.000 0.990 66 S CB 0.522 63.745 63.200 0.038 0.000 0.967 66 S HN 0.384 nan 8.310 nan 0.000 0.556 67 V N 2.609 122.555 119.914 0.054 0.000 2.276 67 V HA 0.360 4.480 4.120 0.001 0.000 0.268 67 V C -2.375 173.771 176.094 0.086 0.000 1.032 67 V CA -1.431 60.921 62.300 0.088 0.000 0.810 67 V CB -0.043 31.833 31.823 0.088 0.000 1.060 67 V HN 0.771 nan 8.190 nan 0.000 0.446 68 P HA 0.268 nan 4.420 nan 0.000 0.270 68 P C -2.629 174.804 177.300 0.222 0.000 1.223 68 P CA -1.052 62.117 63.100 0.116 0.000 0.785 68 P CB -0.079 31.665 31.700 0.074 0.000 0.923 69 P HA 0.156 nan 4.420 nan 0.000 0.275 69 P C 0.348 177.751 177.300 0.172 0.000 1.228 69 P CA -0.001 63.143 63.100 0.073 0.000 0.786 69 P CB 0.449 32.142 31.700 -0.011 0.000 0.927 70 G N 2.576 111.388 108.800 0.020 0.000 2.684 70 G HA2 0.400 4.361 3.960 0.001 0.000 0.255 70 G HA3 0.400 4.361 3.960 0.001 0.000 0.255 70 G C -2.334 172.570 174.900 0.007 0.000 1.219 70 G CA -0.826 44.164 45.100 -0.183 0.000 0.901 70 G HN 0.360 nan 8.290 nan 0.000 0.548 71 P HA 0.295 nan 4.420 nan 0.000 0.278 71 P C -1.212 176.151 177.300 0.105 0.000 1.238 71 P CA -0.401 62.682 63.100 -0.028 0.000 0.794 71 P CB 0.542 32.260 31.700 0.029 0.000 0.955 72 Y N -0.325 119.986 120.300 0.019 0.000 2.334 72 Y HA 0.410 4.961 4.550 0.001 0.000 0.328 72 Y C 1.369 177.255 175.900 -0.025 0.000 1.130 72 Y CA -1.316 56.780 58.100 -0.006 0.000 1.163 72 Y CB 0.282 38.738 38.460 -0.006 0.000 1.207 72 Y HN 0.291 nan 8.280 nan 0.000 0.471 73 T N -0.421 114.198 114.554 0.108 0.000 2.918 73 T HA 0.271 4.622 4.350 0.001 0.000 0.283 73 T C 1.009 175.661 174.700 -0.079 0.000 1.001 73 T CA -0.778 61.328 62.100 0.009 0.000 1.041 73 T CB 1.150 70.003 68.868 -0.024 0.000 1.028 73 T HN 0.532 nan 8.240 nan 0.000 0.511 74 L N 2.229 123.381 121.223 -0.119 0.000 2.012 74 L HA 0.063 4.404 4.340 0.001 0.000 0.210 74 L C 2.762 179.232 176.870 -0.668 0.000 1.073 74 L CA 2.484 57.169 54.840 -0.258 0.000 0.748 74 L CB -1.573 40.405 42.059 -0.134 0.000 0.891 74 L HN 0.953 nan 8.230 nan 0.000 0.431 75 A N -0.573 121.838 122.820 -0.681 0.000 1.940 75 A HA -0.284 4.036 4.320 0.001 0.000 0.219 75 A C 2.441 179.547 177.584 -0.797 0.000 1.176 75 A CA 1.951 53.380 52.037 -1.014 0.000 0.631 75 A CB -0.626 18.225 19.000 -0.248 0.000 0.814 75 A HN 0.479 nan 8.150 nan 0.000 0.446 76 R N 0.096 120.347 120.500 -0.415 0.000 2.092 76 R HA 0.032 4.372 4.340 0.001 0.000 0.231 76 R C 1.841 177.959 176.300 -0.303 0.000 1.119 76 R CA 1.509 57.440 56.100 -0.282 0.000 0.970 76 R CB -0.804 29.398 30.300 -0.164 0.000 0.864 76 R HN 0.529 nan 8.270 nan 0.000 0.440 77 L N -0.870 120.170 121.223 -0.307 0.000 2.141 77 L HA 0.010 4.351 4.340 0.001 0.000 0.209 77 L C 2.305 179.029 176.870 -0.243 0.000 1.094 77 L CA 1.346 56.063 54.840 -0.204 0.000 0.763 77 L CB -0.748 41.246 42.059 -0.107 0.000 0.908 77 L HN 0.439 nan 8.230 nan 0.000 0.437 78 G N -0.736 107.744 108.800 -0.533 0.000 2.403 78 G HA2 -0.169 3.792 3.960 0.001 0.000 0.216 78 G HA3 -0.169 3.792 3.960 0.001 0.000 0.216 78 G C 1.465 176.214 174.900 -0.251 0.000 1.154 78 G CA 0.080 44.900 45.100 -0.467 0.000 0.784 78 G HN 0.212 nan 8.290 nan 0.000 0.538 79 E N 1.168 121.170 120.200 -0.330 0.000 2.153 79 E HA -0.109 4.242 4.350 0.001 0.000 0.194 79 E C 2.104 178.633 176.600 -0.118 0.000 0.988 79 E CA 0.930 57.252 56.400 -0.130 0.000 0.811 79 E CB -0.199 29.427 29.700 -0.123 0.000 0.746 79 E HN 0.314 nan 8.360 nan 0.000 0.466 80 D N 0.324 120.633 120.400 -0.152 0.000 2.116 80 D HA -0.135 4.505 4.640 0.001 0.000 0.193 80 D C 2.118 178.282 176.300 -0.226 0.000 0.998 80 D CA 0.846 54.752 54.000 -0.156 0.000 0.836 80 D CB -0.280 40.450 40.800 -0.117 0.000 0.951 80 D HN 0.029 nan 8.370 nan 0.000 0.449 81 V N 1.009 120.795 119.914 -0.212 0.000 2.295 81 V HA -0.212 3.909 4.120 0.001 0.000 0.246 81 V C 2.667 178.673 176.094 -0.146 0.000 1.049 81 V CA 1.124 63.285 62.300 -0.232 0.000 1.024 81 V CB -0.533 31.257 31.823 -0.055 0.000 0.648 81 V HN 0.218 nan 8.190 nan 0.000 0.447 82 L N -0.241 120.942 121.223 -0.068 0.000 2.079 82 L HA -0.233 4.108 4.340 0.001 0.000 0.210 82 L C 2.569 179.396 176.870 -0.073 0.000 1.081 82 L CA 1.814 56.632 54.840 -0.036 0.000 0.752 82 L CB -0.699 41.376 42.059 0.027 0.000 0.896 82 L HN 0.439 nan 8.230 nan 0.000 0.433 83 E N -0.033 120.108 120.200 -0.099 0.000 2.152 83 E HA -0.143 4.208 4.350 0.001 0.000 0.192 83 E C 2.390 178.893 176.600 -0.161 0.000 0.983 83 E CA 0.635 56.972 56.400 -0.105 0.000 0.818 83 E CB -0.016 29.629 29.700 -0.091 0.000 0.758 83 E HN 0.470 nan 8.360 nan 0.000 0.467 84 L N 0.795 121.872 121.223 -0.242 0.000 2.017 84 L HA -0.223 4.118 4.340 0.001 0.000 0.208 84 L C 2.480 179.193 176.870 -0.261 0.000 1.073 84 L CA 1.083 55.705 54.840 -0.363 0.000 0.745 84 L CB -0.381 41.390 42.059 -0.481 0.000 0.894 84 L HN 0.189 nan 8.230 nan 0.000 0.432 85 L N -0.604 120.514 121.223 -0.175 0.000 2.017 85 L HA -0.251 4.090 4.340 0.001 0.000 0.208 85 L C 2.304 179.123 176.870 -0.084 0.000 1.073 85 L CA 1.194 55.969 54.840 -0.108 0.000 0.745 85 L CB -0.752 41.268 42.059 -0.065 0.000 0.894 85 L HN 0.304 nan 8.230 nan 0.000 0.432 86 D N 0.398 120.751 120.400 -0.078 0.000 2.123 86 D HA -0.190 4.451 4.640 0.001 0.000 0.196 86 D C 2.214 178.483 176.300 -0.053 0.000 0.992 86 D CA 1.620 55.588 54.000 -0.054 0.000 0.833 86 D CB -0.119 40.654 40.800 -0.045 0.000 0.954 86 D HN 0.329 nan 8.370 nan 0.000 0.455 87 A N 0.342 123.115 122.820 -0.079 0.000 1.972 87 A HA -0.079 4.242 4.320 0.001 0.000 0.219 87 A C 2.232 179.796 177.584 -0.035 0.000 1.169 87 A CA 0.810 52.812 52.037 -0.058 0.000 0.635 87 A CB -0.590 18.356 19.000 -0.090 0.000 0.810 87 A HN 0.241 nan 8.150 nan 0.000 0.446 88 L N -1.206 119.982 121.223 -0.059 0.000 2.558 88 L HA 0.058 4.398 4.340 0.001 0.000 0.225 88 L C 0.215 177.078 176.870 -0.012 0.000 1.128 88 L CA 0.352 55.180 54.840 -0.021 0.000 0.868 88 L CB -0.421 41.617 42.059 -0.035 0.000 1.006 88 L HN 0.451 nan 8.230 nan 0.000 0.454 89 E N -0.582 119.605 120.200 -0.020 0.000 2.476 89 E HA -0.184 4.167 4.350 0.001 0.000 0.251 89 E C -0.436 176.155 176.600 -0.015 0.000 1.130 89 E CA -0.059 56.333 56.400 -0.014 0.000 0.736 89 E CB -1.512 28.185 29.700 -0.005 0.000 1.298 89 E HN 0.158 nan 8.360 nan 0.000 0.400 90 V N 1.077 120.977 119.914 -0.023 0.000 2.364 90 V HA 0.170 4.291 4.120 0.001 0.000 0.272 90 V C 1.222 177.301 176.094 -0.026 0.000 1.036 90 V CA -0.156 62.130 62.300 -0.023 0.000 0.880 90 V CB 1.505 33.313 31.823 -0.024 0.000 0.991 90 V HN 0.164 nan 8.190 nan 0.000 0.460 91 R N 3.911 124.397 120.500 -0.025 0.000 2.115 91 R HA 0.088 4.429 4.340 0.001 0.000 0.230 91 R C 0.864 177.145 176.300 -0.033 0.000 1.111 91 R CA 1.367 57.451 56.100 -0.026 0.000 0.976 91 R CB -0.014 30.271 30.300 -0.025 0.000 0.870 91 R HN 0.711 nan 8.270 nan 0.000 0.445 92 R N -1.294 119.181 120.500 -0.041 0.000 2.604 92 R HA 0.565 4.906 4.340 0.001 0.000 0.261 92 R C -2.048 174.202 176.300 -0.083 0.000 1.080 92 R CA -0.117 55.948 56.100 -0.057 0.000 0.917 92 R CB 1.471 31.731 30.300 -0.066 0.000 1.252 92 R HN 0.152 nan 8.270 nan 0.000 0.456 93 A N 2.539 125.308 122.820 -0.086 0.000 2.556 93 A HA 0.562 4.883 4.320 0.001 0.000 0.294 93 A C -1.482 176.031 177.584 -0.119 0.000 1.091 93 A CA -0.790 51.184 52.037 -0.105 0.000 0.704 93 A CB 1.260 20.253 19.000 -0.011 0.000 1.300 93 A HN 0.740 nan 8.150 nan 0.000 0.406 94 H N -0.288 118.774 119.070 -0.014 0.000 2.615 94 H HA 0.460 5.017 4.556 0.001 0.000 0.363 94 H C -1.488 173.860 175.328 0.034 0.000 1.148 94 H CA 0.449 56.478 56.048 -0.032 0.000 1.401 94 H CB 1.157 30.798 29.762 -0.202 0.000 1.461 94 H HN 0.519 nan 8.280 nan 0.000 0.588 95 F N 2.993 122.983 119.950 0.067 0.000 2.518 95 F HA 0.285 4.813 4.527 0.002 0.000 0.323 95 F C -1.440 174.359 175.800 -0.003 0.000 1.129 95 F CA -1.066 56.946 58.000 0.020 0.000 0.920 95 F CB 1.001 40.029 39.000 0.046 0.000 1.160 95 F HN 0.281 nan 8.300 nan 0.000 0.440 96 L N 6.349 127.263 121.223 -0.514 0.000 2.343 96 L HA 0.873 5.214 4.340 0.001 0.000 0.278 96 L C -0.832 175.731 176.870 -0.513 0.000 0.996 96 L CA -0.382 54.242 54.840 -0.360 0.000 0.831 96 L CB 1.365 43.207 42.059 -0.361 0.000 1.232 96 L HN 0.649 nan 8.230 nan 0.000 0.413 97 G N 4.997 113.759 108.800 -0.064 0.000 2.590 97 G HA2 0.573 4.534 3.960 0.001 0.000 0.310 97 G HA3 0.573 4.534 3.960 0.001 0.000 0.310 97 G C -1.943 173.109 174.900 0.253 0.000 1.347 97 G CA -0.594 44.590 45.100 0.140 0.000 0.963 97 G HN 0.739 nan 8.290 nan 0.000 0.494 98 L N 2.931 124.339 121.223 0.307 0.000 2.296 98 L HA 0.604 4.944 4.340 0.001 0.000 0.286 98 L C 1.069 178.007 176.870 0.112 0.000 1.023 98 L CA 0.291 55.257 54.840 0.210 0.000 0.812 98 L CB 1.530 43.689 42.059 0.167 0.000 1.223 98 L HN 0.875 nan 8.230 nan 0.000 0.421 99 S N 2.761 118.525 115.700 0.107 0.000 4.139 99 S HA -0.345 4.126 4.470 0.001 0.000 0.603 99 S C 0.947 175.661 174.600 0.190 0.000 1.897 99 S CA 1.623 59.937 58.200 0.189 0.000 4.241 99 S CB -1.296 62.064 63.200 0.266 0.000 0.221 99 S HN 0.894 nan 8.310 nan 0.000 0.488 100 L N 2.805 124.135 121.223 0.178 0.000 2.013 100 L HA 0.051 4.392 4.340 0.001 0.000 0.212 100 L C 2.468 179.439 176.870 0.168 0.000 1.073 100 L CA 3.239 58.167 54.840 0.147 0.000 0.753 100 L CB -1.441 40.688 42.059 0.115 0.000 0.890 100 L HN 0.742 nan 8.230 nan 0.000 0.432 101 G N -1.245 107.661 108.800 0.177 0.000 2.475 101 G HA2 -0.261 3.700 3.960 0.001 0.000 0.220 101 G HA3 -0.261 3.700 3.960 0.001 0.000 0.220 101 G C 1.497 176.622 174.900 0.375 0.000 1.125 101 G CA 0.685 45.949 45.100 0.272 0.000 0.755 101 G HN 0.638 nan 8.290 nan 0.000 0.565 102 G N 0.748 109.719 108.800 0.285 0.000 2.421 102 G HA2 -0.069 3.892 3.960 0.001 0.000 0.217 102 G HA3 -0.069 3.892 3.960 0.001 0.000 0.217 102 G C 1.721 176.763 174.900 0.237 0.000 1.143 102 G CA 0.665 45.932 45.100 0.278 0.000 0.784 102 G HN 0.466 nan 8.290 nan 0.000 0.541 103 I N 0.503 121.197 120.570 0.208 0.000 2.286 103 I HA -0.116 4.055 4.170 0.001 0.000 0.245 103 I C 2.702 178.934 176.117 0.192 0.000 1.104 103 I CA 0.362 61.772 61.300 0.183 0.000 1.397 103 I CB -0.368 37.720 38.000 0.147 0.000 1.072 103 I HN -0.013 nan 8.210 nan 0.000 0.417 104 V N 1.538 121.563 119.914 0.185 0.000 2.332 104 V HA -0.256 3.864 4.120 0.001 0.000 0.248 104 V C 2.672 178.782 176.094 0.025 0.000 1.055 104 V CA 2.261 64.648 62.300 0.145 0.000 1.038 104 V CB -1.580 30.365 31.823 0.203 0.000 0.651 104 V HN 0.588 nan 8.190 nan 0.000 0.450 105 G N -0.895 107.908 108.800 0.005 0.000 2.459 105 G HA2 -0.310 3.651 3.960 0.001 0.000 0.217 105 G HA3 -0.310 3.651 3.960 0.001 0.000 0.217 105 G C 1.485 176.347 174.900 -0.063 0.000 1.183 105 G CA 1.008 45.963 45.100 -0.241 0.000 0.776 105 G HN 0.559 nan 8.290 nan 0.000 0.552 106 Q N -1.216 118.633 119.800 0.081 0.000 2.124 106 Q HA -0.154 4.187 4.340 0.001 0.000 0.202 106 Q C 2.189 178.246 176.000 0.095 0.000 0.977 106 Q CA 1.367 57.219 55.803 0.082 0.000 0.850 106 Q CB -0.252 28.557 28.738 0.118 0.000 0.901 106 Q HN 0.700 nan 8.270 nan 0.000 0.429 107 W N 1.108 122.414 121.300 0.009 0.000 2.355 107 W HA -0.168 4.493 4.660 0.001 0.000 0.309 107 W C 1.540 178.098 176.519 0.066 0.000 1.206 107 W CA 1.262 58.666 57.345 0.099 0.000 1.284 107 W CB -0.134 29.379 29.460 0.088 0.000 1.145 107 W HN 0.036 nan 8.180 nan 0.000 0.502 108 L N 0.420 121.781 121.223 0.230 0.000 2.079 108 L HA -0.222 4.119 4.340 0.001 0.000 0.210 108 L C 2.676 179.457 176.870 -0.147 0.000 1.081 108 L CA 1.469 56.324 54.840 0.025 0.000 0.752 108 L CB -1.338 40.640 42.059 -0.135 0.000 0.896 108 L HN 0.102 nan 8.230 nan 0.000 0.433 109 A N -0.301 122.436 122.820 -0.138 0.000 1.969 109 A HA -0.100 4.221 4.320 0.001 0.000 0.218 109 A C 2.236 179.689 177.584 -0.218 0.000 1.169 109 A CA 1.263 53.219 52.037 -0.135 0.000 0.635 109 A CB -0.473 18.481 19.000 -0.077 0.000 0.810 109 A HN 0.375 nan 8.150 nan 0.000 0.445 110 L N -2.289 118.733 121.223 -0.336 0.000 2.162 110 L HA -0.037 4.304 4.340 0.001 0.000 0.205 110 L C 2.142 178.545 176.870 -0.779 0.000 1.086 110 L CA 1.198 55.700 54.840 -0.563 0.000 0.778 110 L CB -0.231 41.403 42.059 -0.707 0.000 0.928 110 L HN 0.503 nan 8.230 nan 0.000 0.446 111 H N -1.816 116.882 119.070 -0.620 0.000 2.855 111 H HA 0.360 4.917 4.556 0.001 0.000 0.259 111 H C 0.699 175.768 175.328 -0.431 0.000 0.972 111 H CA 0.502 56.137 56.048 -0.688 0.000 1.213 111 H CB 0.712 29.634 29.762 -1.399 0.000 1.451 111 H HN 0.174 nan 8.280 nan 0.000 0.484 112 A N 0.990 123.663 122.820 -0.245 0.000 3.176 112 A HA 0.257 4.578 4.320 0.001 0.000 0.265 112 A C -1.879 175.645 177.584 -0.100 0.000 0.936 112 A CA -0.907 51.059 52.037 -0.117 0.000 1.033 112 A CB 0.312 19.291 19.000 -0.036 0.000 1.158 112 A HN 0.026 nan 8.150 nan 0.000 0.485 113 P HA -0.261 nan 4.420 nan 0.000 0.216 113 P C 1.456 178.720 177.300 -0.060 0.000 1.150 113 P CA 1.427 64.473 63.100 -0.091 0.000 0.837 113 P CB 0.079 31.720 31.700 -0.098 0.000 0.786 114 Q N -0.264 119.502 119.800 -0.056 0.000 2.439 114 Q HA -0.136 4.204 4.340 0.001 0.000 0.211 114 Q C 1.411 177.388 176.000 -0.038 0.000 0.978 114 Q CA 1.253 57.030 55.803 -0.043 0.000 0.897 114 Q CB -0.563 28.152 28.738 -0.039 0.000 0.956 114 Q HN 0.223 nan 8.270 nan 0.000 0.483 115 R N 0.152 120.630 120.500 -0.037 0.000 2.312 115 R HA 0.314 4.655 4.340 0.001 0.000 0.205 115 R C 0.248 176.533 176.300 -0.026 0.000 0.904 115 R CA -0.044 56.039 56.100 -0.029 0.000 1.052 115 R CB 0.583 30.872 30.300 -0.019 0.000 1.014 115 R HN 0.210 nan 8.270 nan 0.000 0.503 116 I N 1.084 121.638 120.570 -0.027 0.000 2.378 116 I HA 0.202 4.373 4.170 0.001 0.000 0.291 116 I C 1.235 177.346 176.117 -0.010 0.000 0.992 116 I CA -0.583 60.714 61.300 -0.004 0.000 1.154 116 I CB 2.152 40.153 38.000 0.001 0.000 1.315 116 I HN -0.101 nan 8.210 nan 0.000 0.448 117 E N 5.738 125.920 120.200 -0.029 0.000 2.040 117 E HA 0.199 4.550 4.350 0.001 0.000 0.205 117 E C 0.328 177.008 176.600 0.133 0.000 0.936 117 E CA 0.468 56.846 56.400 -0.037 0.000 0.900 117 E CB 0.435 29.914 29.700 -0.369 0.000 0.889 117 E HN 0.449 nan 8.360 nan 0.000 0.503 118 R N 0.291 121.031 120.500 0.399 0.000 2.540 118 R HA 0.451 4.792 4.340 0.001 0.000 0.287 118 R C -0.608 175.894 176.300 0.336 0.000 0.980 118 R CA -0.732 55.549 56.100 0.301 0.000 0.966 118 R CB 1.246 31.538 30.300 -0.013 0.000 1.106 118 R HN 0.060 nan 8.270 nan 0.000 0.480 119 L N 2.452 123.890 121.223 0.358 0.000 2.333 119 L HA 0.421 4.761 4.340 0.001 0.000 0.280 119 L C -1.267 175.721 176.870 0.196 0.000 1.004 119 L CA -0.583 54.422 54.840 0.276 0.000 0.820 119 L CB 2.045 44.214 42.059 0.183 0.000 1.247 119 L HN 0.312 nan 8.230 nan 0.000 0.416 120 V N 6.308 126.304 119.914 0.137 0.000 2.459 120 V HA 0.502 4.622 4.120 0.001 0.000 0.295 120 V C -0.283 175.842 176.094 0.051 0.000 1.029 120 V CA -0.552 61.731 62.300 -0.028 0.000 0.874 120 V CB 1.649 33.415 31.823 -0.094 0.000 0.985 120 V HN 0.580 nan 8.190 nan 0.000 0.438 121 L N 4.548 125.774 121.223 0.006 0.000 2.345 121 L HA 0.783 5.124 4.340 0.001 0.000 0.274 121 L C 0.116 177.022 176.870 0.060 0.000 0.999 121 L CA -0.461 54.427 54.840 0.080 0.000 0.849 121 L CB 1.577 43.682 42.059 0.076 0.000 1.220 121 L HN 0.727 nan 8.230 nan 0.000 0.422 122 A N 2.899 125.793 122.820 0.122 0.000 2.292 122 A HA 0.474 4.794 4.320 0.001 0.000 0.319 122 A C 0.394 178.041 177.584 0.106 0.000 1.206 122 A CA -0.523 51.601 52.037 0.145 0.000 0.835 122 A CB 0.400 19.603 19.000 0.338 0.000 1.164 122 A HN 0.847 nan 8.150 nan 0.000 0.505 123 N N 1.025 119.768 118.700 0.072 0.000 2.678 123 N HA -0.162 4.579 4.740 0.001 0.000 0.268 123 N C -0.031 175.556 175.510 0.128 0.000 1.010 123 N CA 1.555 54.630 53.050 0.041 0.000 0.784 123 N CB -0.555 37.806 38.487 -0.211 0.000 0.905 123 N HN 0.835 nan 8.380 nan 0.000 0.552 124 T N -1.689 112.959 114.554 0.157 0.000 2.669 124 T HA 0.693 5.043 4.350 0.001 0.000 0.283 124 T C -1.138 173.688 174.700 0.210 0.000 1.019 124 T CA -0.088 62.127 62.100 0.190 0.000 1.039 124 T CB 2.271 71.244 68.868 0.176 0.000 1.374 124 T HN 0.283 nan 8.240 nan 0.000 0.523 125 S N -1.297 114.539 115.700 0.227 0.000 2.567 125 S HA 0.656 5.126 4.470 0.001 0.000 0.270 125 S C -0.045 174.700 174.600 0.242 0.000 1.152 125 S CA 0.175 58.549 58.200 0.290 0.000 0.835 125 S CB 0.929 64.386 63.200 0.427 0.000 1.115 125 S HN 1.102 nan 8.310 nan 0.000 0.459 126 A N 1.254 124.219 122.820 0.242 0.000 2.267 126 A HA 0.509 4.830 4.320 0.001 0.000 0.213 126 A C -0.164 177.619 177.584 0.331 0.000 1.192 126 A CA -0.018 52.155 52.037 0.227 0.000 0.851 126 A CB -0.202 18.898 19.000 0.167 0.000 0.881 126 A HN 1.082 nan 8.150 nan 0.000 0.494 127 W N -0.905 120.464 121.300 0.114 0.000 3.889 127 W HA 0.453 5.114 4.660 0.001 0.000 0.310 127 W C -1.539 175.102 176.519 0.204 0.000 1.167 127 W CA -0.516 56.896 57.345 0.112 0.000 1.299 127 W CB 0.285 29.775 29.460 0.050 0.000 1.214 127 W HN -0.116 nan 8.180 nan 0.000 0.451 128 L N 6.124 127.158 121.223 -0.315 0.000 2.965 128 L HA 0.412 4.753 4.340 0.001 0.000 0.254 128 L C 1.528 178.192 176.870 -0.342 0.000 1.220 128 L CA -0.123 54.599 54.840 -0.196 0.000 1.023 128 L CB -0.325 41.838 42.059 0.174 0.000 1.355 128 L HN 0.580 nan 8.230 nan 0.000 0.545 129 G N 0.795 108.890 108.800 -1.176 0.000 2.712 129 G HA2 0.234 4.195 3.960 0.001 0.000 0.258 129 G HA3 0.234 4.195 3.960 0.001 0.000 0.258 129 G C -2.393 172.198 174.900 -0.516 0.000 1.241 129 G CA -0.656 44.089 45.100 -0.592 0.000 0.923 129 G HN -0.011 nan 8.290 nan 0.000 0.548 130 P HA 0.224 nan 4.420 nan 0.000 0.269 130 P C 0.638 177.999 177.300 0.101 0.000 1.215 130 P CA 0.391 63.549 63.100 0.096 0.000 0.780 130 P CB 0.907 32.653 31.700 0.077 0.000 0.898 131 A N 2.784 125.723 122.820 0.199 0.000 2.019 131 A HA -0.107 4.213 4.320 0.001 0.000 0.219 131 A C 2.115 179.804 177.584 0.174 0.000 1.164 131 A CA 1.830 54.032 52.037 0.274 0.000 0.644 131 A CB -1.544 17.590 19.000 0.224 0.000 0.805 131 A HN 0.565 nan 8.150 nan 0.000 0.449 132 A N 0.839 123.693 122.820 0.057 0.000 1.903 132 A HA -0.326 3.995 4.320 0.001 0.000 0.219 132 A C 2.182 179.698 177.584 -0.112 0.000 1.191 132 A CA 2.046 54.075 52.037 -0.014 0.000 0.638 132 A CB -0.847 18.134 19.000 -0.031 0.000 0.823 132 A HN 0.823 nan 8.150 nan 0.000 0.451 133 Q N -2.006 117.635 119.800 -0.265 0.000 2.291 133 Q HA -0.213 4.128 4.340 0.001 0.000 0.206 133 Q C 1.765 177.408 176.000 -0.596 0.000 0.976 133 Q CA 1.584 57.090 55.803 -0.494 0.000 0.875 133 Q CB -0.439 27.866 28.738 -0.720 0.000 0.927 133 Q HN 0.865 nan 8.270 nan 0.000 0.450 134 W N 1.394 122.589 121.300 -0.176 0.000 2.539 134 W HA 0.062 4.723 4.660 0.001 0.000 0.281 134 W C 1.826 178.254 176.519 -0.152 0.000 1.220 134 W CA 0.163 57.378 57.345 -0.217 0.000 1.332 134 W CB 0.174 29.570 29.460 -0.106 0.000 1.095 134 W HN 0.095 nan 8.180 nan 0.000 0.571 135 D N 0.827 121.291 120.400 0.106 0.000 2.097 135 D HA -0.178 4.463 4.640 0.001 0.000 0.195 135 D C 1.685 177.980 176.300 -0.009 0.000 0.989 135 D CA 1.527 55.563 54.000 0.059 0.000 0.827 135 D CB -0.400 40.429 40.800 0.049 0.000 0.966 135 D HN 0.326 nan 8.370 nan 0.000 0.456 136 E N 0.386 120.540 120.200 -0.076 0.000 2.085 136 E HA -0.165 4.185 4.350 0.001 0.000 0.194 136 E C 2.230 178.749 176.600 -0.135 0.000 0.994 136 E CA 0.815 57.148 56.400 -0.111 0.000 0.801 136 E CB 0.004 29.608 29.700 -0.160 0.000 0.743 136 E HN 0.223 nan 8.360 nan 0.000 0.453 137 R N 0.161 120.527 120.500 -0.223 0.000 2.115 137 R HA -0.011 4.330 4.340 0.001 0.000 0.226 137 R C 2.343 178.617 176.300 -0.043 0.000 1.100 137 R CA 0.689 56.610 56.100 -0.298 0.000 0.980 137 R CB -0.109 29.731 30.300 -0.767 0.000 0.875 137 R HN 0.190 nan 8.270 nan 0.000 0.445 138 I N 0.500 121.112 120.570 0.070 0.000 2.163 138 I HA -0.246 3.925 4.170 0.001 0.000 0.240 138 I C 2.571 178.740 176.117 0.087 0.000 1.081 138 I CA 1.278 62.698 61.300 0.200 0.000 1.353 138 I CB -0.379 37.729 38.000 0.179 0.000 1.054 138 I HN 0.174 nan 8.210 nan 0.000 0.407 139 A N 0.707 123.549 122.820 0.035 0.000 1.902 139 A HA -0.172 4.149 4.320 0.001 0.000 0.217 139 A C 2.520 180.105 177.584 0.002 0.000 1.181 139 A CA 1.928 53.972 52.037 0.012 0.000 0.623 139 A CB -0.879 18.120 19.000 -0.002 0.000 0.818 139 A HN 0.439 nan 8.150 nan 0.000 0.443 140 A N -0.866 121.949 122.820 -0.009 0.000 1.902 140 A HA -0.003 4.317 4.320 0.001 0.000 0.217 140 A C 2.335 179.924 177.584 0.009 0.000 1.181 140 A CA 1.749 53.776 52.037 -0.016 0.000 0.623 140 A CB -1.059 17.911 19.000 -0.050 0.000 0.818 140 A HN 0.750 nan 8.150 nan 0.000 0.443 141 V N 0.113 120.060 119.914 0.054 0.000 2.427 141 V HA -0.179 3.942 4.120 0.001 0.000 0.248 141 V C 2.370 178.462 176.094 -0.003 0.000 1.051 141 V CA 1.965 64.307 62.300 0.071 0.000 1.048 141 V CB -0.431 31.506 31.823 0.189 0.000 0.666 141 V HN 0.581 nan 8.190 nan 0.000 0.456 142 L N -0.370 120.838 121.223 -0.025 0.000 2.131 142 L HA -0.164 4.177 4.340 0.001 0.000 0.210 142 L C 2.526 179.369 176.870 -0.045 0.000 1.092 142 L CA 1.365 56.157 54.840 -0.080 0.000 0.759 142 L CB -0.525 41.495 42.059 -0.065 0.000 0.903 142 L HN 0.352 nan 8.230 nan 0.000 0.435 143 Q N -0.224 119.564 119.800 -0.020 0.000 2.392 143 Q HA 0.228 4.568 4.340 0.001 0.000 0.203 143 Q C 0.762 176.755 176.000 -0.010 0.000 0.917 143 Q CA 0.220 56.016 55.803 -0.012 0.000 0.939 143 Q CB 0.150 28.883 28.738 -0.009 0.000 1.063 143 Q HN 0.381 nan 8.270 nan 0.000 0.516 144 A N 1.021 123.835 122.820 -0.010 0.000 2.498 144 A HA 0.015 4.336 4.320 0.001 0.000 0.239 144 A C 1.124 178.706 177.584 -0.004 0.000 1.068 144 A CA -0.022 52.012 52.037 -0.005 0.000 0.766 144 A CB 0.459 19.460 19.000 0.002 0.000 1.003 144 A HN 0.091 nan 8.150 nan 0.000 0.497 145 E N 0.462 120.661 120.200 -0.002 0.000 2.017 145 E HA -0.099 4.252 4.350 0.001 0.000 0.193 145 E C 0.342 176.943 176.600 0.003 0.000 0.997 145 E CA 2.261 58.661 56.400 0.000 0.000 0.804 145 E CB 0.045 29.745 29.700 -0.000 0.000 0.757 145 E HN 0.936 nan 8.360 nan 0.000 0.448 149 E N 2.132 122.336 120.200 0.007 0.000 2.153 149 E HA -0.041 4.309 4.350 0.001 0.000 0.194 149 E C 1.635 178.231 176.600 -0.007 0.000 0.988 149 E CA 2.117 58.512 56.400 -0.008 0.000 0.811 149 E CB -0.309 29.380 29.700 -0.019 0.000 0.746 149 E HN 0.496 nan 8.360 nan 0.000 0.466 150 T N -0.165 114.406 114.554 0.028 0.000 2.777 150 T HA -0.089 4.262 4.350 0.001 0.000 0.266 150 T C 1.784 176.571 174.700 0.146 0.000 1.040 150 T CA 1.308 63.455 62.100 0.078 0.000 1.141 150 T CB -0.400 68.556 68.868 0.146 0.000 0.868 150 T HN 0.344 nan 8.240 nan 0.000 0.444 151 A N 1.447 124.336 122.820 0.114 0.000 1.902 151 A HA 0.183 4.504 4.320 0.001 0.000 0.217 151 A C 2.633 180.240 177.584 0.038 0.000 1.181 151 A CA 1.737 53.831 52.037 0.096 0.000 0.623 151 A CB -1.060 17.979 19.000 0.063 0.000 0.818 151 A HN 0.494 nan 8.150 nan 0.000 0.443 152 A N -0.397 122.430 122.820 0.011 0.000 1.978 152 A HA 0.105 4.426 4.320 0.001 0.000 0.220 152 A C 2.342 179.885 177.584 -0.069 0.000 1.170 152 A CA 1.951 53.978 52.037 -0.016 0.000 0.636 152 A CB -1.300 17.688 19.000 -0.020 0.000 0.810 152 A HN 0.682 nan 8.150 nan 0.000 0.448 153 G N -0.931 107.801 108.800 -0.112 0.000 2.453 153 G HA2 -0.137 3.824 3.960 0.001 0.000 0.215 153 G HA3 -0.137 3.824 3.960 0.001 0.000 0.215 153 G C 1.351 176.044 174.900 -0.346 0.000 1.201 153 G CA 1.107 46.061 45.100 -0.242 0.000 0.784 153 G HN 0.407 nan 8.290 nan 0.000 0.545 154 F N 0.827 120.539 119.950 -0.397 0.000 2.069 154 F HA 0.014 4.542 4.527 0.001 0.000 0.298 154 F C 2.747 178.022 175.800 -0.875 0.000 1.113 154 F CA 1.024 58.513 58.000 -0.853 0.000 1.214 154 F CB -0.565 37.704 39.000 -1.219 0.000 0.978 154 F HN -0.013 nan 8.300 nan 0.000 0.474 155 L N -0.539 120.533 121.223 -0.252 0.000 2.079 155 L HA -0.197 4.144 4.340 0.001 0.000 0.210 155 L C 2.702 179.642 176.870 0.118 0.000 1.081 155 L CA 1.392 56.281 54.840 0.082 0.000 0.752 155 L CB -1.440 40.740 42.059 0.202 0.000 0.896 155 L HN 0.298 nan 8.230 nan 0.000 0.433 156 G N -0.542 108.253 108.800 -0.008 0.000 2.422 156 G HA2 -0.211 3.750 3.960 0.001 0.000 0.218 156 G HA3 -0.211 3.750 3.960 0.001 0.000 0.218 156 G C 1.404 176.298 174.900 -0.009 0.000 1.140 156 G CA 0.485 45.586 45.100 0.001 0.000 0.775 156 G HN 0.366 nan 8.290 nan 0.000 0.545 157 N N -0.762 117.890 118.700 -0.080 0.000 2.415 157 N HA -0.028 4.712 4.740 0.001 0.000 0.176 157 N C 1.644 177.217 175.510 0.104 0.000 1.042 157 N CA 0.394 53.420 53.050 -0.039 0.000 0.902 157 N CB 0.036 38.446 38.487 -0.129 0.000 0.986 157 N HN 0.353 nan 8.380 nan 0.000 0.447 158 W N 0.562 121.778 121.300 -0.140 0.000 2.494 158 W HA 0.233 4.894 4.660 0.001 0.000 0.286 158 W C 0.317 176.511 176.519 -0.542 0.000 1.218 158 W CA -0.065 57.053 57.345 -0.378 0.000 1.313 158 W CB -0.501 28.555 29.460 -0.674 0.000 1.105 158 W HN -0.171 nan 8.180 nan 0.000 0.561 159 F N 0.300 120.374 119.950 0.207 0.000 2.522 159 F HA 0.415 4.943 4.527 0.002 0.000 0.324 159 F C -1.857 173.972 175.800 0.048 0.000 1.077 159 F CA -3.289 54.760 58.000 0.082 0.000 0.944 159 F CB 0.206 39.232 39.000 0.044 0.000 1.175 159 F HN -0.480 nan 8.300 nan 0.000 0.468 160 P HA -0.008 nan 4.420 nan 0.000 0.261 160 P C -1.897 175.457 177.300 0.090 0.000 1.183 160 P CA -0.760 62.401 63.100 0.102 0.000 0.761 160 P CB 0.134 31.870 31.700 0.061 0.000 0.785 161 P HA -0.221 nan 4.420 nan 0.000 0.223 161 P C 0.967 178.274 177.300 0.012 0.000 1.144 161 P CA 1.404 64.524 63.100 0.032 0.000 0.783 161 P CB -0.099 31.607 31.700 0.010 0.000 0.771 162 A N 0.437 123.258 122.820 0.002 0.000 1.841 162 A HA -0.147 4.174 4.320 0.001 0.000 0.214 162 A C 2.190 179.762 177.584 -0.019 0.000 1.195 162 A CA 1.385 53.415 52.037 -0.012 0.000 0.611 162 A CB -1.623 17.366 19.000 -0.018 0.000 0.835 162 A HN 0.175 nan 8.150 nan 0.000 0.443 163 L N -0.297 120.917 121.223 -0.015 0.000 2.079 163 L HA -0.122 4.218 4.340 0.001 0.000 0.210 163 L C 2.211 179.023 176.870 -0.097 0.000 1.081 163 L CA 1.671 56.475 54.840 -0.059 0.000 0.752 163 L CB -0.708 41.321 42.059 -0.049 0.000 0.896 163 L HN 0.381 nan 8.230 nan 0.000 0.433 164 L N -0.506 120.690 121.223 -0.044 0.000 2.044 164 L HA -0.169 4.172 4.340 0.001 0.000 0.205 164 L C 2.624 179.471 176.870 -0.038 0.000 1.075 164 L CA 1.667 56.480 54.840 -0.046 0.000 0.747 164 L CB -0.918 41.161 42.059 0.035 0.000 0.903 164 L HN 0.417 nan 8.230 nan 0.000 0.435 165 E N 2.222 122.409 120.200 -0.022 0.000 2.086 165 E HA -0.267 4.084 4.350 0.001 0.000 0.200 165 E C 0.796 177.378 176.600 -0.029 0.000 1.012 165 E CA 1.122 57.510 56.400 -0.021 0.000 0.812 165 E CB -0.125 29.565 29.700 -0.016 0.000 0.743 165 E HN 0.527 nan 8.360 nan 0.000 0.453 166 R N 0.844 121.321 120.500 -0.038 0.000 2.248 166 R HA 0.486 4.827 4.340 0.001 0.000 0.337 166 R C -0.200 176.068 176.300 -0.054 0.000 1.085 166 R CA 0.170 56.245 56.100 -0.041 0.000 0.934 166 R CB 0.769 31.044 30.300 -0.041 0.000 1.034 166 R HN 0.091 nan 8.270 nan 0.000 0.465 167 A N 4.332 127.125 122.820 -0.044 0.000 2.522 167 A HA -0.087 4.234 4.320 0.001 0.000 0.275 167 A C -0.157 177.391 177.584 -0.060 0.000 1.058 167 A CA 0.453 52.461 52.037 -0.048 0.000 0.880 167 A CB -0.251 18.729 19.000 -0.033 0.000 0.946 167 A HN 0.740 nan 8.150 nan 0.000 0.526 168 E N 3.800 123.947 120.200 -0.088 0.000 2.151 168 E HA 0.267 4.617 4.350 0.001 0.000 0.275 168 E C -1.967 174.582 176.600 -0.085 0.000 0.936 168 E CA -2.172 54.167 56.400 -0.101 0.000 0.777 168 E CB 1.277 30.881 29.700 -0.161 0.000 1.108 168 E HN 0.300 nan 8.360 nan 0.000 0.401 169 P HA -0.160 nan 4.420 nan 0.000 0.217 169 P C 1.447 178.731 177.300 -0.026 0.000 1.148 169 P CA 0.607 63.684 63.100 -0.038 0.000 0.828 169 P CB 0.409 32.090 31.700 -0.032 0.000 0.783 170 V N -0.648 119.244 119.914 -0.038 0.000 2.453 170 V HA -0.159 3.962 4.120 0.001 0.000 0.247 170 V C 2.137 178.271 176.094 0.067 0.000 1.048 170 V CA 1.596 63.911 62.300 0.025 0.000 1.049 170 V CB -0.757 31.066 31.823 0.000 0.000 0.672 170 V HN -0.096 nan 8.190 nan 0.000 0.457 171 V N 0.154 119.976 119.914 -0.154 0.000 2.343 171 V HA -0.164 3.956 4.120 0.001 0.000 0.247 171 V C 2.668 178.795 176.094 0.056 0.000 1.051 171 V CA 2.107 64.270 62.300 -0.228 0.000 1.036 171 V CB -0.759 30.831 31.823 -0.388 0.000 0.654 171 V HN 0.542 nan 8.190 nan 0.000 0.451 172 E N 0.094 120.305 120.200 0.017 0.000 2.153 172 E HA -0.196 4.154 4.350 0.001 0.000 0.194 172 E C 2.353 178.987 176.600 0.057 0.000 0.988 172 E CA 1.003 57.425 56.400 0.038 0.000 0.811 172 E CB -0.278 29.422 29.700 0.002 0.000 0.746 172 E HN 0.517 nan 8.360 nan 0.000 0.466 173 R N -0.677 119.856 120.500 0.055 0.000 2.092 173 R HA -0.038 4.303 4.340 0.001 0.000 0.231 173 R C 2.205 178.484 176.300 -0.035 0.000 1.119 173 R CA 0.976 57.063 56.100 -0.021 0.000 0.970 173 R CB -0.242 30.007 30.300 -0.085 0.000 0.864 173 R HN 0.131 nan 8.270 nan 0.000 0.440 174 F N 0.022 120.038 119.950 0.110 0.000 2.259 174 F HA -0.039 4.489 4.527 0.000 0.000 0.298 174 F C 2.539 178.467 175.800 0.213 0.000 1.088 174 F CA 0.990 59.130 58.000 0.234 0.000 1.358 174 F CB -0.101 39.183 39.000 0.474 0.000 1.040 174 F HN -0.056 nan 8.300 nan 0.000 0.505 175 R N 0.994 121.676 120.500 0.304 0.000 2.083 175 R HA -0.070 4.270 4.340 0.001 0.000 0.237 175 R C 1.354 177.718 176.300 0.106 0.000 1.137 175 R CA 0.878 57.085 56.100 0.179 0.000 0.951 175 R CB -0.483 29.887 30.300 0.116 0.000 0.851 175 R HN 0.214 nan 8.270 nan 0.000 0.434 181 T N 2.104 116.656 114.554 -0.003 0.000 2.743 181 T HA 0.252 4.603 4.350 0.001 0.000 0.293 181 T C 0.105 174.775 174.700 -0.050 0.000 0.945 181 T CA -0.264 61.812 62.100 -0.039 0.000 1.030 181 T CB 0.600 69.427 68.868 -0.067 0.000 0.912 181 T HN 0.430 nan 8.240 nan 0.000 0.483 182 N N 2.576 121.245 118.700 -0.051 0.000 2.492 182 N HA -0.001 4.740 4.740 0.001 0.000 0.262 182 N C 1.619 177.094 175.510 -0.058 0.000 1.202 182 N CA -0.341 52.700 53.050 -0.015 0.000 0.926 182 N CB 0.760 39.271 38.487 0.039 0.000 1.078 182 N HN 0.658 nan 8.380 nan 0.000 0.454 183 R N 3.562 124.021 120.500 -0.069 0.000 2.193 183 R HA -0.108 4.233 4.340 0.001 0.000 0.229 183 R C 0.813 176.964 176.300 -0.249 0.000 1.110 183 R CA 1.208 57.213 56.100 -0.159 0.000 0.988 183 R CB -0.389 29.795 30.300 -0.194 0.000 0.871 183 R HN 0.642 nan 8.270 nan 0.000 0.458 184 H N 0.239 119.269 119.070 -0.067 0.000 2.470 184 H HA 0.073 4.630 4.556 0.001 0.000 0.289 184 H C 2.210 177.447 175.328 -0.153 0.000 1.033 184 H CA 1.274 57.271 56.048 -0.086 0.000 1.331 184 H CB 0.044 29.795 29.762 -0.019 0.000 1.414 184 H HN 0.497 nan 8.280 nan 0.000 0.545 185 G N 1.402 110.187 108.800 -0.025 0.000 2.433 185 G HA2 -0.186 3.775 3.960 0.001 0.000 0.216 185 G HA3 -0.186 3.775 3.960 0.001 0.000 0.216 185 G C 1.887 176.612 174.900 -0.291 0.000 1.186 185 G CA 0.473 45.508 45.100 -0.108 0.000 0.779 185 G HN 0.209 nan 8.290 nan 0.000 0.543 186 L N 0.722 121.726 121.223 -0.366 0.000 1.989 186 L HA -0.117 4.224 4.340 0.001 0.000 0.211 186 L C 3.465 179.915 176.870 -0.699 0.000 1.071 186 L CA 1.282 55.790 54.840 -0.554 0.000 0.749 186 L CB -0.655 41.172 42.059 -0.386 0.000 0.890 186 L HN 0.316 nan 8.230 nan 0.000 0.431 187 A N 0.424 123.037 122.820 -0.345 0.000 1.908 187 A HA -0.154 4.167 4.320 0.001 0.000 0.218 187 A C 2.403 179.840 177.584 -0.246 0.000 1.181 187 A CA 1.909 53.867 52.037 -0.131 0.000 0.627 187 A CB -1.340 17.605 19.000 -0.091 0.000 0.818 187 A HN 0.475 nan 8.150 nan 0.000 0.445 188 G N -0.988 107.465 108.800 -0.579 0.000 2.418 188 G HA2 -0.114 3.847 3.960 0.001 0.000 0.217 188 G HA3 -0.114 3.847 3.960 0.001 0.000 0.217 188 G C 1.816 176.325 174.900 -0.651 0.000 1.158 188 G CA 1.312 45.725 45.100 -1.145 0.000 0.771 188 G HN 0.499 nan 8.290 nan 0.000 0.545 189 S N 0.695 116.180 115.700 -0.359 0.000 2.371 189 S HA -0.007 4.464 4.470 0.001 0.000 0.224 189 S C 1.981 176.569 174.600 -0.020 0.000 1.029 189 S CA 0.700 58.888 58.200 -0.020 0.000 0.978 189 S CB -0.357 62.891 63.200 0.079 0.000 0.833 189 S HN 0.264 nan 8.310 nan 0.000 0.466 190 F N 2.176 122.117 119.950 -0.015 0.000 2.192 190 F HA -0.132 4.395 4.527 0.001 0.000 0.301 190 F C 2.523 178.244 175.800 -0.132 0.000 1.079 190 F CA 0.322 58.295 58.000 -0.043 0.000 1.303 190 F CB -1.281 37.822 39.000 0.173 0.000 1.024 190 F HN 0.204 nan 8.300 nan 0.000 0.494 191 A N -0.259 122.618 122.820 0.095 0.000 1.897 191 A HA 0.099 4.419 4.320 0.001 0.000 0.215 191 A C 2.480 180.061 177.584 -0.006 0.000 1.181 191 A CA 1.398 53.459 52.037 0.041 0.000 0.620 191 A CB -1.199 17.813 19.000 0.020 0.000 0.821 191 A HN 0.268 nan 8.150 nan 0.000 0.443 192 A N -0.253 122.567 122.820 -0.001 0.000 1.883 192 A HA -0.084 4.237 4.320 0.001 0.000 0.217 192 A C 2.238 179.781 177.584 -0.068 0.000 1.186 192 A CA 2.047 54.083 52.037 -0.001 0.000 0.624 192 A CB -1.107 17.918 19.000 0.041 0.000 0.822 192 A HN 0.414 nan 8.150 nan 0.000 0.444 193 V N 0.251 120.061 119.914 -0.173 0.000 2.287 193 V HA -0.290 3.831 4.120 0.001 0.000 0.248 193 V C 2.667 178.496 176.094 -0.440 0.000 1.053 193 V CA 2.336 64.412 62.300 -0.373 0.000 1.027 193 V CB -0.881 30.486 31.823 -0.760 0.000 0.646 193 V HN 0.688 nan 8.190 nan 0.000 0.447 194 R N 0.306 120.529 120.500 -0.462 0.000 2.103 194 R HA -0.229 4.111 4.340 0.001 0.000 0.242 194 R C 1.658 177.953 176.300 -0.008 0.000 1.142 194 R CA 2.284 58.257 56.100 -0.213 0.000 0.960 194 R CB -0.399 29.915 30.300 0.024 0.000 0.858 194 R HN 0.502 nan 8.270 nan 0.000 0.439 195 D N -0.053 120.353 120.400 0.010 0.000 2.349 195 D HA 0.010 4.651 4.640 0.001 0.000 0.224 195 D C -0.179 176.186 176.300 0.108 0.000 1.029 195 D CA 0.600 54.644 54.000 0.074 0.000 0.879 195 D CB 0.364 41.202 40.800 0.063 0.000 0.906 195 D HN 0.124 nan 8.370 nan 0.000 0.528 196 T N 1.043 115.657 114.554 0.099 0.000 2.743 196 T HA 0.230 4.581 4.350 0.001 0.000 0.293 196 T C -0.486 174.382 174.700 0.280 0.000 0.945 196 T CA -0.416 61.778 62.100 0.156 0.000 1.030 196 T CB 1.410 70.344 68.868 0.110 0.000 0.912 196 T HN -0.158 nan 8.240 nan 0.000 0.483 197 D N 3.548 124.106 120.400 0.263 0.000 2.336 197 D HA 0.239 4.880 4.640 0.001 0.000 0.248 197 D C 0.530 176.924 176.300 0.156 0.000 1.326 197 D CA -0.487 53.679 54.000 0.277 0.000 0.973 197 D CB 0.579 41.484 40.800 0.175 0.000 1.255 197 D HN 0.355 nan 8.370 nan 0.000 0.558 198 L N 2.631 123.955 121.223 0.168 0.000 2.592 198 L HA 0.221 4.562 4.340 0.001 0.000 0.227 198 L C 2.265 179.170 176.870 0.059 0.000 1.127 198 L CA -0.137 54.772 54.840 0.114 0.000 0.884 198 L CB 0.074 42.213 42.059 0.134 0.000 1.065 198 L HN 0.164 nan 8.230 nan 0.000 0.457 199 R N 1.131 121.658 120.500 0.044 0.000 2.113 199 R HA -0.213 4.127 4.340 0.001 0.000 0.244 199 R C 2.265 178.550 176.300 -0.025 0.000 1.142 199 R CA 1.841 57.940 56.100 -0.001 0.000 0.953 199 R CB -0.531 29.732 30.300 -0.061 0.000 0.860 199 R HN 0.355 nan 8.270 nan 0.000 0.438 200 A N 0.456 123.252 122.820 -0.040 0.000 2.209 200 A HA -0.105 4.216 4.320 0.001 0.000 0.212 200 A C 1.616 179.180 177.584 -0.032 0.000 1.158 200 A CA 0.867 52.879 52.037 -0.042 0.000 0.742 200 A CB -0.011 18.959 19.000 -0.050 0.000 0.790 200 A HN 0.374 nan 8.150 nan 0.000 0.472 201 Q N -0.868 118.918 119.800 -0.024 0.000 2.378 201 Q HA 0.274 4.615 4.340 0.001 0.000 0.216 201 Q C 1.567 177.539 176.000 -0.047 0.000 0.892 201 Q CA -0.073 55.706 55.803 -0.040 0.000 0.931 201 Q CB 0.035 28.749 28.738 -0.041 0.000 1.086 201 Q HN 0.605 nan 8.270 nan 0.000 0.528 202 L N 0.685 121.893 121.223 -0.026 0.000 2.043 202 L HA -0.217 4.123 4.340 0.001 0.000 0.212 202 L C 2.412 179.263 176.870 -0.031 0.000 1.075 202 L CA 1.226 56.053 54.840 -0.022 0.000 0.752 202 L CB -0.699 41.360 42.059 -0.000 0.000 0.891 202 L HN 0.236 nan 8.230 nan 0.000 0.432 203 A N 0.075 122.876 122.820 -0.031 0.000 2.194 203 A HA -0.206 4.114 4.320 0.001 0.000 0.220 203 A C 2.302 179.862 177.584 -0.040 0.000 1.162 203 A CA 1.455 53.473 52.037 -0.031 0.000 0.674 203 A CB -0.513 18.469 19.000 -0.029 0.000 0.789 203 A HN 0.424 nan 8.150 nan 0.000 0.470 204 R N -0.882 119.584 120.500 -0.056 0.000 2.210 204 R HA 0.243 4.584 4.340 0.001 0.000 0.203 204 R C 0.061 176.318 176.300 -0.073 0.000 1.010 204 R CA -0.005 56.053 56.100 -0.070 0.000 1.008 204 R CB -0.129 30.112 30.300 -0.098 0.000 0.923 204 R HN 0.457 nan 8.270 nan 0.000 0.469 205 I N 2.847 123.377 120.570 -0.067 0.000 2.683 205 I HA -0.104 4.066 4.170 0.001 0.000 0.286 205 I C 0.572 176.668 176.117 -0.036 0.000 1.175 205 I CA 0.553 61.818 61.300 -0.059 0.000 1.429 205 I CB 0.683 38.658 38.000 -0.042 0.000 1.371 205 I HN 0.224 nan 8.210 nan 0.000 0.569 206 E N 4.794 124.974 120.200 -0.034 0.000 2.693 206 E HA 0.204 4.555 4.350 0.001 0.000 0.214 206 E C -0.374 176.226 176.600 -0.000 0.000 0.990 206 E CA -0.517 55.873 56.400 -0.017 0.000 1.047 206 E CB 0.250 29.934 29.700 -0.026 0.000 1.039 206 E HN 0.247 nan 8.360 nan 0.000 0.475 207 R N 1.647 122.153 120.500 0.010 0.000 2.410 207 R HA 0.414 4.754 4.340 0.001 0.000 0.288 207 R C -2.390 173.960 176.300 0.084 0.000 1.051 207 R CA -3.100 53.026 56.100 0.042 0.000 1.021 207 R CB -0.580 29.749 30.300 0.047 0.000 1.032 207 R HN 0.047 nan 8.270 nan 0.000 0.481 208 P HA 0.089 nan 4.420 nan 0.000 0.267 208 P C -0.728 176.789 177.300 0.361 0.000 1.209 208 P CA 0.405 63.632 63.100 0.210 0.000 0.763 208 P CB 0.543 32.335 31.700 0.153 0.000 0.816 209 T N 4.078 118.778 114.554 0.243 0.000 2.841 209 T HA 0.469 4.820 4.350 0.001 0.000 0.285 209 T C -0.660 173.866 174.700 -0.290 0.000 0.991 209 T CA -0.450 61.682 62.100 0.053 0.000 0.966 209 T CB 0.807 69.683 68.868 0.014 0.000 0.962 209 T HN 0.129 nan 8.240 nan 0.000 0.438 210 L N 4.689 125.456 121.223 -0.760 0.000 2.307 210 L HA 0.757 5.098 4.340 0.001 0.000 0.284 210 L C -1.056 175.572 176.870 -0.403 0.000 1.023 210 L CA -0.487 53.847 54.840 -0.843 0.000 0.810 210 L CB 1.240 42.402 42.059 -1.495 0.000 1.231 210 L HN 0.444 nan 8.230 nan 0.000 0.423 211 V N 6.750 126.509 119.914 -0.258 0.000 2.384 211 V HA 0.464 4.584 4.120 0.001 0.000 0.287 211 V C 0.129 176.146 176.094 -0.128 0.000 1.020 211 V CA -0.431 61.787 62.300 -0.137 0.000 0.850 211 V CB 1.365 33.148 31.823 -0.066 0.000 0.987 211 V HN 0.620 nan 8.190 nan 0.000 0.436 212 I N 4.263 124.773 120.570 -0.100 0.000 2.359 212 I HA 0.781 4.951 4.170 0.001 0.000 0.294 212 I C 0.330 176.451 176.117 0.006 0.000 0.987 212 I CA -0.267 60.991 61.300 -0.070 0.000 1.225 212 I CB 1.693 39.630 38.000 -0.106 0.000 1.366 212 I HN 0.701 nan 8.210 nan 0.000 0.466 213 A N 4.235 127.059 122.820 0.008 0.000 2.454 213 A HA 0.870 5.190 4.320 0.001 0.000 0.302 213 A C -0.312 177.288 177.584 0.027 0.000 1.079 213 A CA -0.653 51.401 52.037 0.029 0.000 0.731 213 A CB 1.678 20.692 19.000 0.023 0.000 1.299 213 A HN 0.778 nan 8.150 nan 0.000 0.413 214 G N -0.241 108.584 108.800 0.043 0.000 2.368 214 G HA2 0.561 4.522 3.960 0.001 0.000 0.320 214 G HA3 0.561 4.522 3.960 0.001 0.000 0.320 214 G C 0.756 175.640 174.900 -0.028 0.000 1.158 214 G CA 0.323 45.450 45.100 0.045 0.000 0.912 214 G HN 1.440 nan 8.290 nan 0.000 0.456 215 A N 2.259 124.981 122.820 -0.163 0.000 2.019 215 A HA -0.021 4.300 4.320 0.001 0.000 0.219 215 A C 1.184 178.524 177.584 -0.407 0.000 1.164 215 A CA 1.105 52.914 52.037 -0.380 0.000 0.644 215 A CB -0.292 18.298 19.000 -0.682 0.000 0.805 215 A HN 0.705 nan 8.150 nan 0.000 0.449 216 Y N -0.276 120.061 120.300 0.063 0.000 2.658 216 Y HA 0.264 4.815 4.550 0.001 0.000 0.276 216 Y C 0.117 176.051 175.900 0.057 0.000 1.167 216 Y CA -1.536 56.599 58.100 0.058 0.000 1.230 216 Y CB -0.014 38.488 38.460 0.069 0.000 1.144 216 Y HN 0.130 nan 8.280 nan 0.000 0.529 217 D N 0.704 121.189 120.400 0.142 0.000 2.343 217 D HA 0.052 4.693 4.640 0.001 0.000 0.255 217 D C 1.095 177.426 176.300 0.052 0.000 1.187 217 D CA 0.389 54.462 54.000 0.123 0.000 0.875 217 D CB 1.395 42.275 40.800 0.134 0.000 1.136 217 D HN 0.354 nan 8.370 nan 0.000 0.469 218 T N -0.003 114.566 114.554 0.025 0.000 3.037 218 T HA 0.029 4.379 4.350 0.001 0.000 0.252 218 T C 1.943 176.583 174.700 -0.099 0.000 1.073 218 T CA 0.052 62.131 62.100 -0.035 0.000 1.091 218 T CB 0.051 68.901 68.868 -0.031 0.000 0.935 218 T HN 0.181 nan 8.240 nan 0.000 0.488 219 V N 2.967 122.806 119.914 -0.126 0.000 2.221 219 V HA -0.009 4.112 4.120 0.001 0.000 0.242 219 V C 1.729 177.734 176.094 -0.148 0.000 1.041 219 V CA 1.799 63.989 62.300 -0.183 0.000 0.995 219 V CB -1.047 30.501 31.823 -0.459 0.000 0.635 219 V HN 0.752 nan 8.190 nan 0.000 0.448 220 T N -0.226 114.274 114.554 -0.090 0.000 3.042 220 T HA 0.762 5.113 4.350 0.001 0.000 0.356 220 T C -0.226 174.386 174.700 -0.146 0.000 1.233 220 T CA -0.122 61.914 62.100 -0.107 0.000 1.038 220 T CB 0.788 69.741 68.868 0.143 0.000 1.089 220 T HN 0.499 nan 8.240 nan 0.000 0.531 221 A N 2.701 125.280 122.820 -0.403 0.000 2.520 221 A HA 0.598 4.918 4.320 0.001 0.000 0.235 221 A C 1.853 179.451 177.584 0.023 0.000 1.065 221 A CA -0.006 51.942 52.037 -0.149 0.000 0.764 221 A CB -0.389 18.549 19.000 -0.103 0.000 1.002 221 A HN 1.279 nan 8.150 nan 0.000 0.502 222 A N 1.818 124.665 122.820 0.045 0.000 1.917 222 A HA -0.175 4.146 4.320 0.001 0.000 0.219 222 A C 2.477 180.126 177.584 0.107 0.000 1.182 222 A CA 2.792 54.862 52.037 0.054 0.000 0.633 222 A CB -1.348 17.651 19.000 -0.002 0.000 0.819 222 A HN 1.884 nan 8.150 nan 0.000 0.448 223 S N -0.795 114.992 115.700 0.146 0.000 2.419 223 S HA -0.264 4.207 4.470 0.001 0.000 0.235 223 S C 1.736 176.460 174.600 0.207 0.000 1.019 223 S CA 1.689 59.984 58.200 0.158 0.000 0.982 223 S CB -0.788 62.508 63.200 0.159 0.000 0.789 223 S HN 0.680 nan 8.310 nan 0.000 0.490 224 H N 1.775 120.894 119.070 0.083 0.000 2.321 224 H HA 0.149 4.706 4.556 0.001 0.000 0.300 224 H C 2.531 177.913 175.328 0.089 0.000 1.087 224 H CA 1.419 57.531 56.048 0.108 0.000 1.319 224 H CB -1.040 28.794 29.762 0.119 0.000 1.379 224 H HN 0.533 nan 8.280 nan 0.000 0.501 225 G N 0.080 109.006 108.800 0.210 0.000 2.421 225 G HA2 -0.170 3.790 3.960 0.001 0.000 0.217 225 G HA3 -0.170 3.790 3.960 0.001 0.000 0.217 225 G C 1.438 176.382 174.900 0.072 0.000 1.143 225 G CA 0.498 45.671 45.100 0.121 0.000 0.784 225 G HN 0.422 nan 8.290 nan 0.000 0.541 226 E N -0.248 119.993 120.200 0.068 0.000 2.110 226 E HA -0.104 4.247 4.350 0.001 0.000 0.193 226 E C 2.313 178.934 176.600 0.034 0.000 0.988 226 E CA 0.694 57.117 56.400 0.038 0.000 0.804 226 E CB -0.148 29.573 29.700 0.034 0.000 0.745 226 E HN 0.356 nan 8.360 nan 0.000 0.458 227 L N 1.099 122.351 121.223 0.048 0.000 2.083 227 L HA -0.138 4.203 4.340 0.001 0.000 0.209 227 L C 1.942 178.830 176.870 0.030 0.000 1.083 227 L CA 1.469 56.327 54.840 0.031 0.000 0.752 227 L CB -0.169 41.904 42.059 0.023 0.000 0.899 227 L HN 0.108 nan 8.230 nan 0.000 0.433 228 I N -0.508 120.090 120.570 0.047 0.000 2.163 228 I HA -0.279 3.892 4.170 0.001 0.000 0.240 228 I C 2.618 178.745 176.117 0.018 0.000 1.081 228 I CA 1.195 62.520 61.300 0.041 0.000 1.353 228 I CB -0.706 37.330 38.000 0.060 0.000 1.054 228 I HN 0.344 nan 8.210 nan 0.000 0.407 229 A N 0.831 123.656 122.820 0.010 0.000 1.883 229 A HA -0.218 4.102 4.320 0.001 0.000 0.217 229 A C 2.476 180.057 177.584 -0.005 0.000 1.186 229 A CA 2.039 54.071 52.037 -0.009 0.000 0.624 229 A CB -0.938 18.050 19.000 -0.020 0.000 0.822 229 A HN 0.459 nan 8.150 nan 0.000 0.444 230 A N -1.140 121.680 122.820 0.001 0.000 2.125 230 A HA 0.042 4.363 4.320 0.001 0.000 0.219 230 A C 2.227 179.809 177.584 -0.003 0.000 1.156 230 A CA 1.874 53.910 52.037 -0.001 0.000 0.671 230 A CB -0.416 18.585 19.000 0.001 0.000 0.794 230 A HN 0.444 nan 8.150 nan 0.000 0.459 231 S N -1.031 114.668 115.700 -0.001 0.000 2.483 231 S HA 0.307 4.778 4.470 0.001 0.000 0.221 231 S C 0.523 175.119 174.600 -0.006 0.000 1.030 231 S CA -0.167 58.031 58.200 -0.004 0.000 0.925 231 S CB 0.020 63.219 63.200 -0.002 0.000 0.795 231 S HN 0.456 nan 8.310 nan 0.000 0.511 232 I N 2.425 122.994 120.570 -0.003 0.000 2.315 232 I HA 0.336 4.506 4.170 0.001 0.000 0.291 232 I C 0.328 176.445 176.117 -0.001 0.000 1.006 232 I CA -0.802 60.496 61.300 -0.003 0.000 1.265 232 I CB 1.143 39.144 38.000 0.001 0.000 1.387 232 I HN 0.071 nan 8.210 nan 0.000 0.475 233 A N 4.981 127.800 122.820 -0.002 0.000 2.561 233 A HA 0.373 4.694 4.320 0.001 0.000 0.251 233 A C 1.339 178.930 177.584 0.012 0.000 1.062 233 A CA 0.718 52.756 52.037 0.002 0.000 0.761 233 A CB -0.536 18.463 19.000 -0.002 0.000 0.986 233 A HN 1.259 nan 8.150 nan 0.000 0.510 234 G N 1.067 109.875 108.800 0.014 0.000 2.162 234 G HA2 0.119 4.080 3.960 0.001 0.000 0.260 234 G HA3 0.119 4.080 3.960 0.001 0.000 0.260 234 G C 0.599 175.520 174.900 0.034 0.000 0.976 234 G CA 0.528 45.643 45.100 0.026 0.000 0.655 234 G HN 2.213 nan 8.290 nan 0.000 0.533 235 A N -0.031 122.799 122.820 0.015 0.000 2.407 235 A HA 0.716 5.037 4.320 0.001 0.000 0.248 235 A C 0.817 178.386 177.584 -0.026 0.000 1.082 235 A CA 0.224 52.257 52.037 -0.006 0.000 0.785 235 A CB 0.386 19.374 19.000 -0.019 0.000 1.020 235 A HN 0.499 nan 8.150 nan 0.000 0.489 236 R N -0.099 120.356 120.500 -0.074 0.000 2.787 236 R HA 0.634 4.974 4.340 0.001 0.000 0.271 236 R C -1.492 174.737 176.300 -0.117 0.000 0.993 236 R CA -0.847 55.202 56.100 -0.085 0.000 0.993 236 R CB 1.650 31.896 30.300 -0.090 0.000 1.155 236 R HN 0.581 nan 8.270 nan 0.000 0.486 237 L N 1.327 122.498 121.223 -0.087 0.000 2.381 237 L HA 0.445 4.785 4.340 0.001 0.000 0.274 237 L C -1.400 175.420 176.870 -0.084 0.000 0.988 237 L CA -0.598 54.192 54.840 -0.083 0.000 0.824 237 L CB 2.138 44.167 42.059 -0.049 0.000 1.263 237 L HN 0.277 nan 8.230 nan 0.000 0.410 238 V N 3.870 123.725 119.914 -0.099 0.000 2.448 238 V HA 0.587 4.707 4.120 0.001 0.000 0.295 238 V C -0.229 175.822 176.094 -0.072 0.000 1.025 238 V CA -0.342 61.904 62.300 -0.089 0.000 0.859 238 V CB 1.995 33.749 31.823 -0.115 0.000 0.988 238 V HN 0.852 nan 8.190 nan 0.000 0.431 239 T N 6.874 121.387 114.554 -0.069 0.000 2.791 239 T HA 0.627 4.977 4.350 0.001 0.000 0.288 239 T C -0.355 174.290 174.700 -0.093 0.000 0.999 239 T CA -0.260 61.799 62.100 -0.068 0.000 0.952 239 T CB 0.719 69.543 68.868 -0.072 0.000 0.938 239 T HN 0.321 nan 8.240 nan 0.000 0.444 240 L N 4.888 126.062 121.223 -0.082 0.000 2.344 240 L HA 0.478 4.819 4.340 0.001 0.000 0.272 240 L C -1.615 175.167 176.870 -0.147 0.000 1.035 240 L CA -2.618 52.129 54.840 -0.154 0.000 0.807 240 L CB 1.395 43.397 42.059 -0.095 0.000 1.237 240 L HN 0.355 nan 8.230 nan 0.000 0.442 241 P HA 0.118 nan 4.420 nan 0.000 0.237 241 P C -0.576 176.947 177.300 0.370 0.000 1.723 241 P CA 0.118 63.220 63.100 0.004 0.000 0.882 241 P CB 0.136 31.853 31.700 0.028 0.000 1.810 242 A N 0.029 123.049 122.820 0.332 0.000 2.288 242 A HA 0.556 4.876 4.320 0.001 0.000 0.328 242 A C 1.099 178.897 177.584 0.356 0.000 1.123 242 A CA -0.541 51.779 52.037 0.472 0.000 0.861 242 A CB 0.853 20.104 19.000 0.418 0.000 1.272 242 A HN 0.004 nan 8.150 nan 0.000 0.490 243 V N -0.725 119.355 119.914 0.276 0.000 2.504 243 V HA 0.014 4.134 4.120 0.001 0.000 0.215 243 V C 1.823 178.021 176.094 0.173 0.000 1.123 243 V CA 2.119 64.550 62.300 0.219 0.000 1.143 243 V CB -0.887 31.035 31.823 0.166 0.000 0.743 243 V HN 1.090 nan 8.190 nan 0.000 0.494 244 H N -1.517 117.521 119.070 -0.053 0.000 2.926 244 H HA 0.415 4.972 4.556 0.001 0.000 0.249 244 H C 0.610 175.780 175.328 -0.263 0.000 0.963 244 H CA 0.199 56.172 56.048 -0.124 0.000 1.158 244 H CB 0.363 30.068 29.762 -0.095 0.000 1.445 244 H HN 0.227 nan 8.280 nan 0.000 0.452 245 L N 2.502 123.435 121.223 -0.483 0.000 2.475 245 L HA 0.229 4.569 4.340 0.001 0.000 0.253 245 L C 1.223 177.880 176.870 -0.355 0.000 1.137 245 L CA -0.027 54.451 54.840 -0.604 0.000 1.058 245 L CB 0.866 42.425 42.059 -0.835 0.000 1.382 245 L HN 0.301 nan 8.230 nan 0.000 0.416 246 S N -0.318 115.260 115.700 -0.205 0.000 2.423 246 S HA -0.174 4.297 4.470 0.001 0.000 0.231 246 S C 1.738 176.288 174.600 -0.084 0.000 1.014 246 S CA 1.016 59.234 58.200 0.031 0.000 0.965 246 S CB -0.316 63.023 63.200 0.231 0.000 0.785 246 S HN 0.772 nan 8.310 nan 0.000 0.495 247 N N 2.113 120.459 118.700 -0.590 0.000 2.289 247 N HA -0.085 4.656 4.740 0.001 0.000 0.184 247 N C 1.552 176.838 175.510 -0.373 0.000 1.016 247 N CA 1.345 53.849 53.050 -0.909 0.000 0.872 247 N CB -0.750 36.895 38.487 -1.403 0.000 0.973 247 N HN 0.447 nan 8.380 nan 0.000 0.433 248 V N 1.112 120.838 119.914 -0.313 0.000 2.407 248 V HA -0.071 4.050 4.120 0.001 0.000 0.245 248 V C 2.378 178.369 176.094 -0.171 0.000 1.041 248 V CA 1.435 63.625 62.300 -0.183 0.000 1.040 248 V CB -0.511 31.210 31.823 -0.170 0.000 0.671 248 V HN 0.247 nan 8.190 nan 0.000 0.455 249 E N -0.768 119.298 120.200 -0.223 0.000 2.112 249 E HA -0.026 4.325 4.350 0.001 0.000 0.190 249 E C -0.024 176.096 176.600 -0.800 0.000 0.979 249 E CA 1.001 57.105 56.400 -0.494 0.000 0.814 249 E CB 0.162 29.557 29.700 -0.507 0.000 0.762 249 E HN 0.588 nan 8.360 nan 0.000 0.460 250 F N -0.063 119.910 119.950 0.038 0.000 2.710 250 F HA 0.230 4.758 4.527 0.001 0.000 0.345 250 F C -1.952 173.914 175.800 0.110 0.000 1.362 250 F CA -1.953 56.094 58.000 0.078 0.000 1.175 250 F CB 1.448 40.508 39.000 0.101 0.000 1.561 250 F HN -0.083 nan 8.300 nan 0.000 0.593 251 P HA -0.212 nan 4.420 nan 0.000 0.217 251 P C 1.556 178.998 177.300 0.237 0.000 1.150 251 P CA 1.376 64.576 63.100 0.166 0.000 0.832 251 P CB 0.466 32.217 31.700 0.086 0.000 0.787 252 Q N -0.073 119.850 119.800 0.205 0.000 2.016 252 Q HA -0.124 4.217 4.340 0.001 0.000 0.200 252 Q C 2.275 178.386 176.000 0.184 0.000 0.978 252 Q CA 1.834 57.743 55.803 0.176 0.000 0.833 252 Q CB -0.568 28.254 28.738 0.140 0.000 0.895 252 Q HN 0.099 nan 8.270 nan 0.000 0.427 253 A N 0.116 123.057 122.820 0.203 0.000 1.940 253 A HA -0.205 4.116 4.320 0.001 0.000 0.219 253 A C 1.839 179.523 177.584 0.167 0.000 1.176 253 A CA 1.328 53.453 52.037 0.148 0.000 0.631 253 A CB -0.893 18.170 19.000 0.106 0.000 0.814 253 A HN 0.590 nan 8.150 nan 0.000 0.446 254 F N 0.614 120.629 119.950 0.108 0.000 2.098 254 F HA -0.108 4.420 4.527 0.001 0.000 0.294 254 F C 2.284 178.136 175.800 0.087 0.000 1.107 254 F CA 2.093 60.152 58.000 0.098 0.000 1.234 254 F CB -0.156 38.922 39.000 0.131 0.000 1.002 254 F HN 0.320 nan 8.300 nan 0.000 0.472 255 E N -0.059 120.376 120.200 0.393 0.000 2.110 255 E HA -0.141 4.210 4.350 0.001 0.000 0.193 255 E C 2.449 179.115 176.600 0.109 0.000 0.988 255 E CA 0.966 57.520 56.400 0.256 0.000 0.804 255 E CB -0.680 29.169 29.700 0.248 0.000 0.745 255 E HN 0.590 nan 8.360 nan 0.000 0.458 256 G N 1.375 110.233 108.800 0.096 0.000 2.459 256 G HA2 -0.297 3.664 3.960 0.001 0.000 0.217 256 G HA3 -0.297 3.664 3.960 0.001 0.000 0.217 256 G C 1.720 176.623 174.900 0.006 0.000 1.183 256 G CA 0.990 46.120 45.100 0.050 0.000 0.776 256 G HN 0.360 nan 8.290 nan 0.000 0.552 257 A N -0.010 122.789 122.820 -0.035 0.000 1.883 257 A HA 0.026 4.347 4.320 0.001 0.000 0.217 257 A C 2.642 180.172 177.584 -0.090 0.000 1.186 257 A CA 2.070 54.053 52.037 -0.089 0.000 0.624 257 A CB -0.751 18.144 19.000 -0.175 0.000 0.822 257 A HN 0.283 nan 8.150 nan 0.000 0.444 258 V N 0.008 119.832 119.914 -0.150 0.000 2.270 258 V HA -0.246 3.875 4.120 0.001 0.000 0.245 258 V C 2.581 178.678 176.094 0.006 0.000 1.043 258 V CA 1.978 64.215 62.300 -0.105 0.000 1.014 258 V CB -0.771 30.956 31.823 -0.161 0.000 0.645 258 V HN 0.570 nan 8.190 nan 0.000 0.447 259 L N -0.241 120.991 121.223 0.015 0.000 2.083 259 L HA -0.160 4.181 4.340 0.001 0.000 0.209 259 L C 2.586 179.446 176.870 -0.016 0.000 1.083 259 L CA 1.609 56.461 54.840 0.021 0.000 0.752 259 L CB -0.539 41.515 42.059 -0.008 0.000 0.899 259 L HN 0.317 nan 8.230 nan 0.000 0.433 260 S N -0.474 115.228 115.700 0.003 0.000 2.387 260 S HA -0.147 4.324 4.470 0.001 0.000 0.226 260 S C 1.743 176.360 174.600 0.030 0.000 1.026 260 S CA 0.945 59.147 58.200 0.003 0.000 0.972 260 S CB -0.308 62.902 63.200 0.016 0.000 0.814 260 S HN 0.367 nan 8.310 nan 0.000 0.477 261 F N 2.368 122.264 119.950 -0.090 0.000 2.134 261 F HA 0.040 4.568 4.527 0.001 0.000 0.299 261 F C 1.553 177.285 175.800 -0.114 0.000 1.097 261 F CA 1.225 59.166 58.000 -0.099 0.000 1.264 261 F CB -0.299 38.628 39.000 -0.123 0.000 1.001 261 F HN 0.082 nan 8.300 nan 0.000 0.479 262 L N -0.395 120.673 121.223 -0.258 0.000 2.554 262 L HA 0.210 4.551 4.340 0.001 0.000 0.226 262 L C 1.614 178.389 176.870 -0.159 0.000 1.137 262 L CA 0.721 55.310 54.840 -0.419 0.000 0.863 262 L CB -0.748 41.054 42.059 -0.429 0.000 0.985 262 L HN 0.458 nan 8.230 nan 0.000 0.451 263 G N -0.251 108.484 108.800 -0.108 0.000 2.134 263 G HA2 -0.171 3.790 3.960 0.001 0.000 0.209 263 G HA3 -0.171 3.790 3.960 0.001 0.000 0.209 263 G C 0.218 175.070 174.900 -0.080 0.000 0.993 263 G CA -0.038 45.019 45.100 -0.073 0.000 0.669 263 G HN 0.460 nan 8.290 nan 0.000 0.519 264 A N 0.000 122.739 122.820 -0.135 0.000 2.254 264 A HA 0.000 4.321 4.320 0.001 0.000 0.244 264 A CA 0.000 51.773 52.037 -0.440 0.000 0.836 264 A CB 0.000 18.509 19.000 -0.818 0.000 0.831 264 A HN 0.000 nan 8.150 nan 0.000 0.486