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 1p6x_1_A DATA FIRST_RESID 20 DATA SEQUENCE SHMVTIVRIY LDGVYGIGKS TTGRVMASAA SGGSPTLYFP EPMAYWRTLF DATA SEQUENCE ETDVISGIYD TQNRKQQGNL AVDDAALITA HYQSRFTTPY LILHDHTCTL DATA SEQUENCE FGGNSLQRGT QPDLTLVFDR HPVASTVCFP AARYLLGDMS MCALMAMVAT DATA SEQUENCE LPREPQGGNI VVTTLNVEEH IRRLRTRARI GEQIDITLIA TLRNVYFMLV DATA SEQUENCE NTCHFLRSGR VWRDGWGELP TSCGAYKHRA TQMDAFQERV SPELGDTLFA DATA SEQUENCE LFKTQELLDD RGVILEVHAW ALDALMLKLR NLNVFSADLS GTPRQCAAVV DATA SEQUENCE ESLLPLMSST LSDFDSASAL ERAARTFNAE MGV 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 20 S HA 0.000 nan 4.470 nan 0.000 0.327 20 S C 0.000 174.683 174.600 0.139 0.000 1.055 20 S CA 0.000 58.281 58.200 0.134 0.000 1.107 20 S CB 0.000 63.262 63.200 0.103 0.000 0.593 21 H N 2.956 122.070 119.070 0.074 0.000 2.848 21 H HA 0.420 4.976 4.556 0.000 0.000 0.341 21 H C 0.201 175.585 175.328 0.093 0.000 1.060 21 H CA 0.388 56.465 56.048 0.048 0.000 1.444 21 H CB 0.442 30.191 29.762 -0.022 0.000 1.446 21 H HN 0.608 nan 8.280 nan 0.000 0.583 22 M N 5.565 124.922 119.600 -0.405 0.000 2.238 22 M HA 0.226 4.707 4.480 0.001 0.000 0.347 22 M C -1.465 174.756 176.300 -0.132 0.000 1.173 22 M CA -0.266 54.917 55.300 -0.196 0.000 1.147 22 M CB 0.382 32.877 32.600 -0.176 0.000 1.547 22 M HN 0.310 nan 8.290 nan 0.000 0.455 23 V N 3.961 123.887 119.914 0.020 0.000 2.638 23 V HA 0.362 4.483 4.120 0.001 0.000 0.306 23 V C -0.343 175.785 176.094 0.056 0.000 1.052 23 V CA -0.765 61.582 62.300 0.080 0.000 0.885 23 V CB 2.174 34.086 31.823 0.149 0.000 0.999 23 V HN 0.912 nan 8.190 nan 0.000 0.424 24 T N 6.307 120.891 114.554 0.051 0.000 2.771 24 T HA 0.656 5.007 4.350 0.001 0.000 0.291 24 T C -0.253 174.476 174.700 0.048 0.000 0.954 24 T CA 0.107 62.232 62.100 0.042 0.000 1.045 24 T CB 0.368 69.255 68.868 0.031 0.000 0.917 24 T HN 0.393 nan 8.240 nan 0.000 0.484 25 I N 2.967 123.564 120.570 0.045 0.000 2.498 25 I HA 0.404 4.574 4.170 0.001 0.000 0.290 25 I C -0.563 175.559 176.117 0.008 0.000 1.032 25 I CA -1.142 60.181 61.300 0.039 0.000 1.073 25 I CB 2.181 40.225 38.000 0.073 0.000 1.251 25 I HN 0.258 nan 8.210 nan 0.000 0.426 26 V N 6.477 126.387 119.914 -0.007 0.000 2.370 26 V HA 0.432 4.552 4.120 0.001 0.000 0.279 26 V C 0.098 176.154 176.094 -0.065 0.000 1.029 26 V CA -0.626 61.655 62.300 -0.032 0.000 0.870 26 V CB 1.443 33.249 31.823 -0.027 0.000 0.984 26 V HN 0.760 nan 8.190 nan 0.000 0.451 27 R N 5.542 125.967 120.500 -0.125 0.000 2.460 27 R HA 0.799 5.139 4.340 0.001 0.000 0.303 27 R C -1.447 174.770 176.300 -0.138 0.000 0.968 27 R CA -0.668 55.324 56.100 -0.181 0.000 0.889 27 R CB 1.608 31.664 30.300 -0.407 0.000 1.123 27 R HN 0.587 nan 8.270 nan 0.000 0.455 28 I N 3.594 124.100 120.570 -0.106 0.000 2.466 28 I HA 0.280 4.451 4.170 0.001 0.000 0.289 28 I C -1.118 175.007 176.117 0.013 0.000 1.026 28 I CA -1.141 60.156 61.300 -0.006 0.000 1.078 28 I CB 1.793 39.808 38.000 0.025 0.000 1.249 28 I HN 0.619 nan 8.210 nan 0.000 0.429 29 Y N 6.356 126.807 120.300 0.252 0.000 2.385 29 Y HA 0.419 4.970 4.550 0.000 0.000 0.341 29 Y C -0.009 176.031 175.900 0.233 0.000 0.965 29 Y CA -0.507 57.774 58.100 0.301 0.000 1.180 29 Y CB 0.995 39.628 38.460 0.289 0.000 1.139 29 Y HN 0.342 nan 8.280 nan 0.000 0.502 30 L N 4.657 126.095 121.223 0.357 0.000 2.265 30 L HA 0.322 4.663 4.340 0.001 0.000 0.288 30 L C -0.505 176.510 176.870 0.242 0.000 1.058 30 L CA 0.091 55.082 54.840 0.251 0.000 0.809 30 L CB 0.765 42.959 42.059 0.225 0.000 1.179 30 L HN 0.697 nan 8.230 nan 0.000 0.429 31 D N 1.667 122.160 120.400 0.156 0.000 2.559 31 D HA 0.825 5.466 4.640 0.001 0.000 0.250 31 D C -0.293 175.899 176.300 -0.181 0.000 1.135 31 D CA 0.159 54.214 54.000 0.091 0.000 0.955 31 D CB 2.779 43.707 40.800 0.212 0.000 1.442 31 D HN 0.659 nan 8.370 nan 0.000 0.471 32 G N -0.633 107.842 108.800 -0.541 0.000 2.350 32 G HA2 0.159 4.119 3.960 0.001 0.000 0.282 32 G HA3 0.159 4.119 3.960 0.001 0.000 0.282 32 G C -1.266 173.109 174.900 -0.875 0.000 1.314 32 G CA -0.437 43.961 45.100 -1.169 0.000 0.915 32 G HN 0.397 nan 8.290 nan 0.000 0.499 33 V N 1.189 120.721 119.914 -0.637 0.000 2.715 33 V HA 0.410 4.531 4.120 0.001 0.000 0.299 33 V C 0.737 176.826 176.094 -0.008 0.000 1.054 33 V CA -0.006 62.171 62.300 -0.205 0.000 1.077 33 V CB 0.478 32.221 31.823 -0.133 0.000 0.972 33 V HN 0.990 nan 8.190 nan 0.000 0.484 34 Y N 1.888 122.321 120.300 0.221 0.000 2.597 34 Y HA 0.474 5.024 4.550 0.000 0.000 0.336 34 Y C 1.202 177.255 175.900 0.255 0.000 1.216 34 Y CA -0.075 58.170 58.100 0.242 0.000 1.463 34 Y CB 0.022 38.665 38.460 0.305 0.000 1.303 34 Y HN 0.947 nan 8.280 nan 0.000 0.576 35 G N 2.925 111.896 108.800 0.285 0.000 2.194 35 G HA2 -0.295 3.665 3.960 0.001 0.000 0.236 35 G HA3 -0.295 3.665 3.960 0.001 0.000 0.236 35 G C 0.596 175.550 174.900 0.089 0.000 0.987 35 G CA 0.244 45.480 45.100 0.226 0.000 0.635 35 G HN 0.754 nan 8.290 nan 0.000 0.520 36 I N 0.837 121.328 120.570 -0.132 0.000 2.761 36 I HA 0.293 4.463 4.170 0.001 0.000 0.261 36 I C 2.102 178.161 176.117 -0.095 0.000 1.198 36 I CA 1.452 62.583 61.300 -0.283 0.000 1.482 36 I CB 0.016 37.746 38.000 -0.449 0.000 1.100 36 I HN 0.935 nan 8.210 nan 0.000 0.445 37 G N 1.409 110.198 108.800 -0.018 0.000 2.148 37 G HA2 -0.234 3.727 3.960 0.001 0.000 0.157 37 G HA3 -0.234 3.727 3.960 0.001 0.000 0.157 37 G C 0.987 175.897 174.900 0.018 0.000 1.012 37 G CA 0.310 45.415 45.100 0.009 0.000 0.677 37 G HN 0.330 nan 8.290 nan 0.000 0.506 38 K N 0.781 121.202 120.400 0.036 0.000 2.009 38 K HA -0.058 4.262 4.320 0.001 0.000 0.210 38 K C 2.421 179.085 176.600 0.105 0.000 1.049 38 K CA 2.167 58.496 56.287 0.071 0.000 0.929 38 K CB -0.408 32.148 32.500 0.093 0.000 0.714 38 K HN 0.253 nan 8.250 nan 0.000 0.440 39 S N 0.270 116.056 115.700 0.144 0.000 2.368 39 S HA -0.109 4.362 4.470 0.001 0.000 0.225 39 S C 1.925 176.513 174.600 -0.019 0.000 1.030 39 S CA 1.786 60.087 58.200 0.168 0.000 0.999 39 S CB -0.390 62.945 63.200 0.226 0.000 0.844 39 S HN 0.485 nan 8.310 nan 0.000 0.459 40 T N 1.882 116.431 114.554 -0.008 0.000 2.777 40 T HA -0.084 4.266 4.350 0.001 0.000 0.266 40 T C 2.077 176.719 174.700 -0.097 0.000 1.040 40 T CA 1.669 63.736 62.100 -0.055 0.000 1.141 40 T CB -0.668 68.192 68.868 -0.013 0.000 0.868 40 T HN 0.422 nan 8.240 nan 0.000 0.444 41 T N 1.208 115.726 114.554 -0.060 0.000 2.652 41 T HA -0.087 4.264 4.350 0.001 0.000 0.267 41 T C 2.242 176.872 174.700 -0.116 0.000 1.039 41 T CA 1.443 63.506 62.100 -0.061 0.000 1.153 41 T CB -0.948 67.909 68.868 -0.018 0.000 0.863 41 T HN 0.515 nan 8.240 nan 0.000 0.428 42 G N 1.330 110.040 108.800 -0.150 0.000 2.440 42 G HA2 -0.242 3.718 3.960 0.001 0.000 0.218 42 G HA3 -0.242 3.718 3.960 0.001 0.000 0.218 42 G C 1.723 176.232 174.900 -0.650 0.000 1.154 42 G CA 0.509 45.441 45.100 -0.280 0.000 0.767 42 G HN 0.429 nan 8.290 nan 0.000 0.552 43 R N -0.336 119.704 120.500 -0.767 0.000 2.081 43 R HA -0.006 4.334 4.340 0.001 0.000 0.235 43 R C 2.660 178.797 176.300 -0.273 0.000 1.131 43 R CA 1.094 56.844 56.100 -0.583 0.000 0.960 43 R CB -0.500 29.568 30.300 -0.387 0.000 0.856 43 R HN 0.313 nan 8.270 nan 0.000 0.436 44 V N 1.362 121.160 119.914 -0.194 0.000 2.358 44 V HA -0.259 3.861 4.120 0.001 0.000 0.246 44 V C 2.340 178.377 176.094 -0.094 0.000 1.047 44 V CA 1.702 63.935 62.300 -0.112 0.000 1.035 44 V CB -0.376 31.400 31.823 -0.079 0.000 0.658 44 V HN 0.318 nan 8.190 nan 0.000 0.452 45 M N 0.029 119.568 119.600 -0.102 0.000 2.106 45 M HA -0.218 4.262 4.480 0.001 0.000 0.259 45 M C 2.302 178.569 176.300 -0.056 0.000 1.068 45 M CA 2.349 57.610 55.300 -0.064 0.000 1.100 45 M CB -0.582 31.992 32.600 -0.044 0.000 1.351 45 M HN 0.406 nan 8.290 nan 0.000 0.404 46 A N -0.722 122.052 122.820 -0.077 0.000 2.014 46 A HA -0.022 4.298 4.320 0.001 0.000 0.218 46 A C 1.451 179.007 177.584 -0.047 0.000 1.163 46 A CA 0.637 52.647 52.037 -0.046 0.000 0.652 46 A CB -0.441 18.546 19.000 -0.022 0.000 0.808 46 A HN 0.414 nan 8.150 nan 0.000 0.449 47 S N -0.519 115.144 115.700 -0.061 0.000 2.549 47 S HA 0.365 4.835 4.470 0.001 0.000 0.283 47 S C 1.394 175.974 174.600 -0.034 0.000 1.320 47 S CA 0.087 58.259 58.200 -0.047 0.000 1.058 47 S CB 0.941 64.110 63.200 -0.051 0.000 0.882 47 S HN 0.779 nan 8.310 nan 0.000 0.498 48 A N 5.067 127.872 122.820 -0.026 0.000 1.978 48 A HA 0.022 4.343 4.320 0.001 0.000 0.220 48 A C 2.353 179.926 177.584 -0.018 0.000 1.170 48 A CA 1.880 53.905 52.037 -0.019 0.000 0.636 48 A CB -1.286 17.705 19.000 -0.015 0.000 0.810 48 A HN 1.263 nan 8.150 nan 0.000 0.448 49 A N 0.303 123.111 122.820 -0.021 0.000 2.076 49 A HA -0.076 4.244 4.320 0.001 0.000 0.220 49 A C 2.327 179.899 177.584 -0.019 0.000 1.160 49 A CA 2.045 54.071 52.037 -0.019 0.000 0.653 49 A CB -0.794 18.194 19.000 -0.020 0.000 0.801 49 A HN 1.067 nan 8.150 nan 0.000 0.455 50 S N -1.554 114.132 115.700 -0.023 0.000 2.603 50 S HA 0.386 4.856 4.470 0.001 0.000 0.220 50 S C 1.390 175.980 174.600 -0.018 0.000 0.967 50 S CA 0.993 59.179 58.200 -0.023 0.000 0.920 50 S CB -0.867 62.315 63.200 -0.030 0.000 0.773 50 S HN 1.941 nan 8.310 nan 0.000 0.529 51 G N 1.344 110.135 108.800 -0.015 0.000 2.566 51 G HA2 0.154 4.114 3.960 0.001 0.000 0.280 51 G HA3 0.154 4.114 3.960 0.001 0.000 0.280 51 G C 0.801 175.694 174.900 -0.011 0.000 1.225 51 G CA 0.014 45.108 45.100 -0.011 0.000 0.966 51 G HN 1.859 nan 8.290 nan 0.000 0.560 52 G N -1.208 107.587 108.800 -0.008 0.000 2.574 52 G HA2 0.076 4.037 3.960 0.001 0.000 0.286 52 G HA3 0.076 4.037 3.960 0.001 0.000 0.286 52 G C 0.838 175.736 174.900 -0.004 0.000 1.212 52 G CA 1.690 46.786 45.100 -0.008 0.000 0.979 52 G HN 2.448 nan 8.290 nan 0.000 0.557 53 S N 2.040 117.736 115.700 -0.006 0.000 2.565 53 S HA 0.597 5.067 4.470 0.001 0.000 0.274 53 S C -2.185 172.414 174.600 -0.001 0.000 1.309 53 S CA -0.522 57.678 58.200 -0.000 0.000 1.043 53 S CB 1.033 64.232 63.200 -0.001 0.000 0.939 53 S HN 0.566 nan 8.310 nan 0.000 0.504 54 P HA 0.181 nan 4.420 nan 0.000 0.263 54 P C -0.966 176.333 177.300 -0.002 0.000 1.195 54 P CA 0.174 63.275 63.100 0.002 0.000 0.762 54 P CB 0.445 32.153 31.700 0.013 0.000 0.799 55 T N 3.967 118.513 114.554 -0.012 0.000 2.886 55 T HA 0.513 4.863 4.350 0.001 0.000 0.292 55 T C -0.305 174.378 174.700 -0.030 0.000 1.012 55 T CA -0.493 61.598 62.100 -0.015 0.000 0.982 55 T CB 0.685 69.546 68.868 -0.012 0.000 1.018 55 T HN 0.116 nan 8.240 nan 0.000 0.451 56 L N 3.058 124.253 121.223 -0.047 0.000 2.325 56 L HA 0.614 4.955 4.340 0.001 0.000 0.278 56 L C -1.055 175.748 176.870 -0.112 0.000 1.023 56 L CA -1.126 53.636 54.840 -0.129 0.000 0.811 56 L CB 1.170 43.108 42.059 -0.200 0.000 1.249 56 L HN 0.639 nan 8.230 nan 0.000 0.431 57 Y N 2.648 122.763 120.300 -0.308 0.000 2.376 57 Y HA 0.533 5.083 4.550 0.000 0.000 0.340 57 Y C -1.361 174.352 175.900 -0.312 0.000 0.965 57 Y CA -1.027 56.950 58.100 -0.205 0.000 1.078 57 Y CB 1.297 39.701 38.460 -0.093 0.000 1.193 57 Y HN 0.287 nan 8.280 nan 0.000 0.452 58 F N 8.384 127.900 119.950 -0.723 0.000 2.347 58 F HA 0.463 4.990 4.527 0.000 0.000 0.366 58 F C -2.120 173.277 175.800 -0.672 0.000 1.107 58 F CA -2.369 55.334 58.000 -0.496 0.000 1.058 58 F CB 0.968 39.748 39.000 -0.366 0.000 1.236 58 F HN 0.383 nan 8.300 nan 0.000 0.456 59 P HA 0.051 nan 4.420 nan 0.000 0.274 59 P C -0.380 176.936 177.300 0.027 0.000 1.256 59 P CA -0.379 62.558 63.100 -0.272 0.000 0.795 59 P CB 0.791 32.470 31.700 -0.035 0.000 1.038 60 E N 1.329 121.577 120.200 0.079 0.000 2.481 60 E HA -0.030 4.320 4.350 0.001 0.000 0.263 60 E C -1.527 174.843 176.600 -0.383 0.000 0.992 60 E CA -1.006 55.368 56.400 -0.043 0.000 0.938 60 E CB -0.142 29.627 29.700 0.114 0.000 0.933 60 E HN 0.337 nan 8.360 nan 0.000 0.453 61 P HA -0.043 nan 4.420 nan 0.000 0.225 61 P C 0.331 177.107 177.300 -0.872 0.000 1.768 61 P CA 0.073 62.628 63.100 -0.908 0.000 0.943 61 P CB 0.152 31.290 31.700 -0.936 0.000 1.936 62 M N 2.115 121.418 119.600 -0.495 0.000 2.080 62 M HA -0.152 4.328 4.480 0.001 0.000 0.260 62 M C 2.022 178.285 176.300 -0.062 0.000 1.068 62 M CA 1.789 57.001 55.300 -0.146 0.000 1.109 62 M CB -1.438 31.153 32.600 -0.015 0.000 1.342 62 M HN 0.192 nan 8.290 nan 0.000 0.405 63 A N -1.918 120.815 122.820 -0.145 0.000 1.969 63 A HA -0.206 4.115 4.320 0.001 0.000 0.218 63 A C 2.198 179.734 177.584 -0.081 0.000 1.169 63 A CA 1.403 53.375 52.037 -0.109 0.000 0.635 63 A CB -1.201 17.701 19.000 -0.164 0.000 0.810 63 A HN 0.618 nan 8.150 nan 0.000 0.445 64 Y N -1.011 119.155 120.300 -0.224 0.000 2.181 64 Y HA -0.249 4.301 4.550 0.000 0.000 0.288 64 Y C 2.207 178.185 175.900 0.131 0.000 1.146 64 Y CA 1.842 59.884 58.100 -0.097 0.000 1.164 64 Y CB -0.128 38.227 38.460 -0.174 0.000 0.982 64 Y HN 0.473 nan 8.280 nan 0.000 0.515 65 W N 0.243 121.649 121.300 0.177 0.000 2.388 65 W HA -0.081 4.579 4.660 0.000 0.000 0.294 65 W C 2.237 178.746 176.519 -0.017 0.000 1.212 65 W CA 1.247 58.607 57.345 0.024 0.000 1.271 65 W CB -0.640 28.785 29.460 -0.058 0.000 1.126 65 W HN 0.132 nan 8.180 nan 0.000 0.535 66 R N -1.699 118.931 120.500 0.216 0.000 2.194 66 R HA 0.054 4.395 4.340 0.001 0.000 0.194 66 R C 1.948 178.278 176.300 0.049 0.000 0.985 66 R CA 1.674 57.843 56.100 0.116 0.000 1.104 66 R CB -0.358 30.010 30.300 0.114 0.000 1.092 66 R HN 0.123 nan 8.270 nan 0.000 0.555 67 T N -2.128 112.423 114.554 -0.005 0.000 2.959 67 T HA 0.246 4.597 4.350 0.001 0.000 0.254 67 T C 1.856 176.460 174.700 -0.161 0.000 1.003 67 T CA -0.215 61.848 62.100 -0.062 0.000 0.950 67 T CB 0.131 68.958 68.868 -0.069 0.000 1.090 67 T HN -0.050 nan 8.240 nan 0.000 0.503 68 L N -0.404 120.648 121.223 -0.284 0.000 2.141 68 L HA 0.281 4.621 4.340 0.001 0.000 0.209 68 L C 0.402 176.786 176.870 -0.809 0.000 1.094 68 L CA 0.944 55.414 54.840 -0.616 0.000 0.763 68 L CB -0.246 41.256 42.059 -0.928 0.000 0.908 68 L HN 0.221 nan 8.230 nan 0.000 0.437 69 F N -1.505 118.361 119.950 -0.140 0.000 2.631 69 F HA 0.242 4.769 4.527 0.000 0.000 0.350 69 F C 1.652 177.426 175.800 -0.044 0.000 1.080 69 F CA -0.913 57.030 58.000 -0.094 0.000 1.026 69 F CB 0.401 39.344 39.000 -0.094 0.000 1.347 69 F HN -0.258 nan 8.300 nan 0.000 0.501 70 E N -0.336 119.986 120.200 0.202 0.000 2.077 70 E HA -0.070 4.280 4.350 0.001 0.000 0.193 70 E C 0.053 176.716 176.600 0.106 0.000 0.989 70 E CA 1.309 57.775 56.400 0.111 0.000 0.800 70 E CB -0.193 29.562 29.700 0.091 0.000 0.746 70 E HN 0.436 nan 8.360 nan 0.000 0.452 71 T N 1.462 116.099 114.554 0.139 0.000 2.845 71 T HA 0.101 4.451 4.350 0.001 0.000 0.288 71 T C -0.315 174.455 174.700 0.117 0.000 0.980 71 T CA -0.536 61.644 62.100 0.135 0.000 1.071 71 T CB 1.331 70.312 68.868 0.188 0.000 0.941 71 T HN -0.072 nan 8.240 nan 0.000 0.487 72 D N 2.936 123.372 120.400 0.060 0.000 2.380 72 D HA 0.122 4.763 4.640 0.001 0.000 0.230 72 D C 1.504 177.744 176.300 -0.100 0.000 1.154 72 D CA -0.658 53.350 54.000 0.013 0.000 0.859 72 D CB 1.078 41.884 40.800 0.009 0.000 1.045 72 D HN 0.327 nan 8.370 nan 0.000 0.495 73 V N 3.016 122.835 119.914 -0.158 0.000 2.594 73 V HA -0.150 3.970 4.120 0.001 0.000 0.253 73 V C 2.068 177.858 176.094 -0.507 0.000 1.069 73 V CA 0.988 63.041 62.300 -0.411 0.000 1.082 73 V CB -0.650 30.820 31.823 -0.588 0.000 0.680 73 V HN 0.520 nan 8.190 nan 0.000 0.469 74 I N 1.170 121.570 120.570 -0.284 0.000 2.233 74 I HA -0.150 4.020 4.170 0.001 0.000 0.243 74 I C 2.807 178.935 176.117 0.020 0.000 1.093 74 I CA 1.800 63.083 61.300 -0.028 0.000 1.380 74 I CB -0.384 37.683 38.000 0.111 0.000 1.067 74 I HN 0.285 nan 8.210 nan 0.000 0.413 75 S N 0.728 116.413 115.700 -0.025 0.000 2.370 75 S HA -0.147 4.324 4.470 0.001 0.000 0.226 75 S C 2.116 176.637 174.600 -0.133 0.000 1.033 75 S CA 1.385 59.577 58.200 -0.014 0.000 1.011 75 S CB -0.912 62.277 63.200 -0.019 0.000 0.852 75 S HN 0.639 nan 8.310 nan 0.000 0.457 76 G N 1.321 109.891 108.800 -0.383 0.000 2.402 76 G HA2 -0.127 3.833 3.960 0.001 0.000 0.216 76 G HA3 -0.127 3.833 3.960 0.001 0.000 0.216 76 G C 1.386 175.795 174.900 -0.819 0.000 1.162 76 G CA 0.593 45.236 45.100 -0.760 0.000 0.777 76 G HN 0.479 nan 8.290 nan 0.000 0.539 77 I N -0.939 119.174 120.570 -0.762 0.000 2.252 77 I HA -0.077 4.094 4.170 0.001 0.000 0.245 77 I C 2.432 178.378 176.117 -0.284 0.000 1.102 77 I CA 1.016 62.068 61.300 -0.413 0.000 1.385 77 I CB 0.093 37.931 38.000 -0.269 0.000 1.064 77 I HN 0.279 nan 8.210 nan 0.000 0.414 78 Y N -0.017 120.223 120.300 -0.100 0.000 2.263 78 Y HA -0.256 4.294 4.550 0.001 0.000 0.292 78 Y C 2.234 178.112 175.900 -0.038 0.000 1.130 78 Y CA 1.538 59.609 58.100 -0.047 0.000 1.179 78 Y CB -0.357 38.078 38.460 -0.042 0.000 0.998 78 Y HN 0.241 nan 8.280 nan 0.000 0.532 79 D N -0.719 119.721 120.400 0.066 0.000 2.219 79 D HA -0.133 4.507 4.640 0.001 0.000 0.205 79 D C 1.890 178.218 176.300 0.046 0.000 0.970 79 D CA 1.590 55.617 54.000 0.044 0.000 0.851 79 D CB 0.011 40.819 40.800 0.014 0.000 0.943 79 D HN 0.143 nan 8.370 nan 0.000 0.488 80 T N 0.052 114.628 114.554 0.037 0.000 2.708 80 T HA -0.156 4.194 4.350 0.001 0.000 0.266 80 T C 1.729 176.471 174.700 0.069 0.000 1.037 80 T CA 1.090 63.240 62.100 0.083 0.000 1.146 80 T CB -0.180 68.773 68.868 0.142 0.000 0.865 80 T HN 0.191 nan 8.240 nan 0.000 0.435 81 Q N 1.287 121.124 119.800 0.062 0.000 2.170 81 Q HA 0.003 4.343 4.340 0.001 0.000 0.203 81 Q C 2.192 178.227 176.000 0.059 0.000 0.976 81 Q CA 0.959 56.799 55.803 0.061 0.000 0.858 81 Q CB -0.627 28.154 28.738 0.073 0.000 0.907 81 Q HN 0.500 nan 8.270 nan 0.000 0.433 82 N N 0.986 119.724 118.700 0.063 0.000 2.142 82 N HA -0.084 4.657 4.740 0.001 0.000 0.186 82 N C 1.733 177.269 175.510 0.043 0.000 1.023 82 N CA 0.824 53.904 53.050 0.051 0.000 0.852 82 N CB -0.208 38.310 38.487 0.050 0.000 0.998 82 N HN 0.272 nan 8.380 nan 0.000 0.424 83 R N 1.068 121.596 120.500 0.046 0.000 2.152 83 R HA -0.083 4.258 4.340 0.001 0.000 0.232 83 R C 2.149 178.471 176.300 0.038 0.000 1.117 83 R CA 1.012 57.137 56.100 0.042 0.000 0.981 83 R CB -0.054 30.276 30.300 0.050 0.000 0.870 83 R HN 0.325 nan 8.270 nan 0.000 0.451 84 K N 1.241 121.666 120.400 0.041 0.000 2.021 84 K HA -0.145 4.175 4.320 0.001 0.000 0.205 84 K C 1.927 178.544 176.600 0.029 0.000 1.047 84 K CA 1.224 57.532 56.287 0.035 0.000 0.943 84 K CB 0.093 32.616 32.500 0.038 0.000 0.725 84 K HN 0.107 nan 8.250 nan 0.000 0.439 85 Q N 0.197 120.015 119.800 0.030 0.000 2.124 85 Q HA -0.203 4.137 4.340 0.001 0.000 0.202 85 Q C 2.195 178.208 176.000 0.022 0.000 0.977 85 Q CA 1.794 57.613 55.803 0.025 0.000 0.850 85 Q CB 0.048 28.802 28.738 0.028 0.000 0.901 85 Q HN 0.365 nan 8.270 nan 0.000 0.429 86 Q N -1.146 118.668 119.800 0.023 0.000 2.096 86 Q HA 0.031 4.372 4.340 0.001 0.000 0.197 86 Q C 0.832 176.843 176.000 0.018 0.000 0.964 86 Q CA 1.311 57.126 55.803 0.020 0.000 0.838 86 Q CB 0.495 29.245 28.738 0.021 0.000 0.906 86 Q HN 0.495 nan 8.270 nan 0.000 0.444 87 G N 0.478 109.290 108.800 0.020 0.000 2.157 87 G HA2 -0.192 3.768 3.960 0.001 0.000 0.118 87 G HA3 -0.192 3.768 3.960 0.001 0.000 0.118 87 G C 0.133 175.044 174.900 0.019 0.000 1.032 87 G CA 0.172 45.283 45.100 0.018 0.000 0.697 87 G HN 0.406 nan 8.290 nan 0.000 0.495 88 N N -0.434 118.279 118.700 0.022 0.000 2.280 88 N HA 0.251 4.991 4.740 0.001 0.000 0.192 88 N C 0.286 175.811 175.510 0.024 0.000 1.109 88 N CA 0.180 53.243 53.050 0.022 0.000 0.855 88 N CB 0.437 38.938 38.487 0.023 0.000 0.974 88 N HN 0.583 nan 8.380 nan 0.000 0.482 89 L N 1.167 122.406 121.223 0.026 0.000 2.505 89 L HA 0.573 4.913 4.340 0.001 0.000 0.266 89 L C -0.769 176.116 176.870 0.025 0.000 0.954 89 L CA -0.525 54.332 54.840 0.028 0.000 0.852 89 L CB 1.726 43.808 42.059 0.039 0.000 1.282 89 L HN 0.077 nan 8.230 nan 0.000 0.403 90 A N 3.671 126.504 122.820 0.021 0.000 2.466 90 A HA 0.385 4.705 4.320 0.001 0.000 0.238 90 A C 1.206 178.802 177.584 0.020 0.000 1.074 90 A CA 0.232 52.280 52.037 0.018 0.000 0.774 90 A CB 0.437 19.445 19.000 0.014 0.000 1.015 90 A HN 0.788 nan 8.150 nan 0.000 0.498 91 V N 1.623 121.548 119.914 0.018 0.000 2.287 91 V HA -0.236 3.885 4.120 0.001 0.000 0.248 91 V C 2.018 178.123 176.094 0.019 0.000 1.053 91 V CA 2.496 64.807 62.300 0.018 0.000 1.027 91 V CB -0.960 30.871 31.823 0.013 0.000 0.646 91 V HN 0.910 nan 8.190 nan 0.000 0.447 92 D N 0.068 120.477 120.400 0.015 0.000 2.104 92 D HA -0.166 4.475 4.640 0.001 0.000 0.194 92 D C 1.957 178.267 176.300 0.016 0.000 0.994 92 D CA 1.571 55.579 54.000 0.014 0.000 0.830 92 D CB -0.406 40.400 40.800 0.010 0.000 0.959 92 D HN 0.418 nan 8.370 nan 0.000 0.452 93 D N 0.189 120.599 120.400 0.016 0.000 2.117 93 D HA -0.067 4.574 4.640 0.001 0.000 0.197 93 D C 1.999 178.315 176.300 0.027 0.000 0.987 93 D CA 1.254 55.263 54.000 0.015 0.000 0.829 93 D CB -0.343 40.465 40.800 0.014 0.000 0.961 93 D HN 0.141 nan 8.370 nan 0.000 0.460 94 A N 1.049 123.890 122.820 0.035 0.000 1.877 94 A HA -0.068 4.253 4.320 0.001 0.000 0.216 94 A C 2.323 179.939 177.584 0.054 0.000 1.186 94 A CA 2.302 54.370 52.037 0.051 0.000 0.620 94 A CB -0.849 18.180 19.000 0.048 0.000 0.822 94 A HN 0.229 nan 8.150 nan 0.000 0.443 95 A N -0.076 122.768 122.820 0.041 0.000 1.883 95 A HA -0.120 4.200 4.320 0.001 0.000 0.217 95 A C 2.180 179.791 177.584 0.046 0.000 1.186 95 A CA 1.700 53.763 52.037 0.042 0.000 0.624 95 A CB -0.710 18.311 19.000 0.034 0.000 0.822 95 A HN 0.506 nan 8.150 nan 0.000 0.444 96 L N -1.016 120.227 121.223 0.034 0.000 2.046 96 L HA -0.153 4.187 4.340 0.001 0.000 0.208 96 L C 2.444 179.332 176.870 0.029 0.000 1.077 96 L CA 1.276 56.130 54.840 0.025 0.000 0.747 96 L CB -0.560 41.502 42.059 0.004 0.000 0.896 96 L HN 0.324 nan 8.230 nan 0.000 0.432 97 I N -0.594 119.996 120.570 0.032 0.000 2.315 97 I HA -0.223 3.947 4.170 0.001 0.000 0.248 97 I C 2.499 178.670 176.117 0.090 0.000 1.117 97 I CA 1.223 62.534 61.300 0.019 0.000 1.404 97 I CB -0.431 37.602 38.000 0.055 0.000 1.071 97 I HN 0.199 nan 8.210 nan 0.000 0.419 98 T N 0.605 115.242 114.554 0.137 0.000 2.746 98 T HA -0.162 4.188 4.350 0.001 0.000 0.267 98 T C 2.091 176.871 174.700 0.134 0.000 1.039 98 T CA 1.486 63.688 62.100 0.169 0.000 1.142 98 T CB -0.308 68.621 68.868 0.102 0.000 0.866 98 T HN 0.469 nan 8.240 nan 0.000 0.444 99 A N 0.935 123.810 122.820 0.091 0.000 1.902 99 A HA -0.171 4.150 4.320 0.001 0.000 0.217 99 A C 2.046 179.677 177.584 0.077 0.000 1.181 99 A CA 2.154 54.238 52.037 0.078 0.000 0.623 99 A CB -0.898 18.140 19.000 0.064 0.000 0.818 99 A HN 0.622 nan 8.150 nan 0.000 0.443 100 H N -1.886 117.155 119.070 -0.047 0.000 2.389 100 H HA -0.120 4.436 4.556 0.000 0.000 0.299 100 H C 1.698 176.966 175.328 -0.099 0.000 1.081 100 H CA 1.944 57.922 56.048 -0.116 0.000 1.345 100 H CB -0.394 29.233 29.762 -0.226 0.000 1.393 100 H HN 0.620 nan 8.280 nan 0.000 0.520 101 Y N -0.382 119.861 120.300 -0.095 0.000 2.181 101 Y HA -0.246 4.304 4.550 0.001 0.000 0.288 101 Y C 2.731 178.622 175.900 -0.016 0.000 1.146 101 Y CA 1.076 59.096 58.100 -0.133 0.000 1.164 101 Y CB 0.013 38.448 38.460 -0.042 0.000 0.982 101 Y HN 0.262 nan 8.280 nan 0.000 0.515 102 Q N 0.164 120.092 119.800 0.213 0.000 2.170 102 Q HA -0.148 4.192 4.340 0.001 0.000 0.203 102 Q C 2.270 178.351 176.000 0.136 0.000 0.976 102 Q CA 1.764 57.689 55.803 0.204 0.000 0.858 102 Q CB -0.412 28.380 28.738 0.089 0.000 0.907 102 Q HN 0.270 nan 8.270 nan 0.000 0.433 103 S N -0.165 115.548 115.700 0.022 0.000 2.356 103 S HA -0.109 4.361 4.470 0.001 0.000 0.223 103 S C 1.775 176.364 174.600 -0.018 0.000 1.032 103 S CA 1.172 59.366 58.200 -0.010 0.000 1.005 103 S CB -0.132 63.036 63.200 -0.053 0.000 0.867 103 S HN 0.410 nan 8.310 nan 0.000 0.449 104 R N -0.349 120.068 120.500 -0.137 0.000 2.148 104 R HA 0.010 4.350 4.340 0.001 0.000 0.227 104 R C 1.822 178.152 176.300 0.049 0.000 1.103 104 R CA 0.961 57.007 56.100 -0.090 0.000 0.983 104 R CB -0.393 29.786 30.300 -0.201 0.000 0.874 104 R HN 0.378 nan 8.270 nan 0.000 0.451 105 F N 0.632 120.565 119.950 -0.027 0.000 2.161 105 F HA -0.230 4.297 4.527 0.000 0.000 0.300 105 F C 2.811 178.837 175.800 0.377 0.000 1.089 105 F CA 1.857 59.846 58.000 -0.017 0.000 1.282 105 F CB -0.409 38.386 39.000 -0.343 0.000 1.010 105 F HN 0.133 nan 8.300 nan 0.000 0.485 106 T N -4.107 110.666 114.554 0.364 0.000 2.951 106 T HA -0.113 4.237 4.350 0.001 0.000 0.268 106 T C 1.880 176.727 174.700 0.246 0.000 1.073 106 T CA 1.440 63.721 62.100 0.301 0.000 1.134 106 T CB -0.858 68.093 68.868 0.138 0.000 0.884 106 T HN 0.149 nan 8.240 nan 0.000 0.479 107 T N 3.376 118.023 114.554 0.154 0.000 2.597 107 T HA -0.075 4.275 4.350 0.001 0.000 0.267 107 T C -0.329 174.275 174.700 -0.159 0.000 1.053 107 T CA 1.906 64.013 62.100 0.012 0.000 1.165 107 T CB -1.412 67.484 68.868 0.046 0.000 0.863 107 T HN 0.471 nan 8.240 nan 0.000 0.427 108 P HA -0.061 nan 4.420 nan 0.000 0.221 108 P C 0.794 177.938 177.300 -0.259 0.000 1.150 108 P CA 1.183 63.939 63.100 -0.574 0.000 0.800 108 P CB -0.190 31.010 31.700 -0.832 0.000 0.787 109 Y N 0.190 120.475 120.300 -0.025 0.000 2.220 109 Y HA -0.074 4.477 4.550 0.000 0.000 0.291 109 Y C 2.666 178.528 175.900 -0.064 0.000 1.129 109 Y CA 1.069 59.158 58.100 -0.019 0.000 1.161 109 Y CB -1.243 37.228 38.460 0.017 0.000 0.997 109 Y HN -0.209 nan 8.280 nan 0.000 0.522 110 L N -0.773 120.504 121.223 0.090 0.000 2.046 110 L HA -0.221 4.119 4.340 0.001 0.000 0.208 110 L C 2.149 179.038 176.870 0.032 0.000 1.077 110 L CA 1.293 56.151 54.840 0.030 0.000 0.747 110 L CB -0.643 41.425 42.059 0.016 0.000 0.896 110 L HN 0.234 nan 8.230 nan 0.000 0.432 111 I N -0.393 120.175 120.570 -0.003 0.000 2.179 111 I HA -0.300 3.870 4.170 0.001 0.000 0.242 111 I C 2.502 178.616 176.117 -0.004 0.000 1.088 111 I CA 1.068 62.369 61.300 0.002 0.000 1.357 111 I CB -0.182 37.811 38.000 -0.012 0.000 1.051 111 I HN 0.210 nan 8.210 nan 0.000 0.409 112 L N 0.163 121.342 121.223 -0.072 0.000 2.056 112 L HA -0.259 4.081 4.340 0.001 0.000 0.207 112 L C 2.647 179.452 176.870 -0.108 0.000 1.078 112 L CA 1.962 56.694 54.840 -0.179 0.000 0.749 112 L CB -0.957 40.829 42.059 -0.455 0.000 0.901 112 L HN 0.279 nan 8.230 nan 0.000 0.433 113 H N -0.673 118.301 119.070 -0.160 0.000 2.353 113 H HA -0.166 4.390 4.556 0.001 0.000 0.300 113 H C 1.631 176.884 175.328 -0.125 0.000 1.090 113 H CA 1.966 57.917 56.048 -0.160 0.000 1.327 113 H CB 0.177 29.846 29.762 -0.155 0.000 1.383 113 H HN 0.408 nan 8.280 nan 0.000 0.508 114 D N -0.653 119.767 120.400 0.034 0.000 2.117 114 D HA -0.143 4.497 4.640 0.001 0.000 0.197 114 D C 2.179 178.441 176.300 -0.064 0.000 0.987 114 D CA 1.213 55.210 54.000 -0.004 0.000 0.829 114 D CB -0.392 40.430 40.800 0.036 0.000 0.961 114 D HN 0.517 nan 8.370 nan 0.000 0.460 115 H N -0.090 118.900 119.070 -0.133 0.000 2.326 115 H HA -0.069 4.488 4.556 0.001 0.000 0.301 115 H C 1.965 177.143 175.328 -0.250 0.000 1.081 115 H CA 2.696 58.657 56.048 -0.146 0.000 1.334 115 H CB -0.156 29.547 29.762 -0.099 0.000 1.385 115 H HN 0.144 nan 8.280 nan 0.000 0.504 116 T N -3.149 111.166 114.554 -0.399 0.000 3.014 116 T HA -0.078 4.272 4.350 0.001 0.000 0.263 116 T C 2.325 176.303 174.700 -1.204 0.000 1.078 116 T CA 0.802 62.503 62.100 -0.665 0.000 1.135 116 T CB -1.070 67.559 68.868 -0.398 0.000 0.895 116 T HN 0.383 nan 8.240 nan 0.000 0.480 117 C N 3.014 121.775 119.300 -0.899 0.000 2.419 117 C HA -0.005 4.456 4.460 0.001 0.000 0.283 117 C C 3.137 177.780 174.990 -0.579 0.000 1.373 117 C CA 1.367 59.898 59.018 -0.812 0.000 1.781 117 C CB -1.449 26.039 27.740 -0.420 0.000 1.886 117 C HN 0.844 nan 8.230 nan 0.000 0.520 118 T N -1.670 112.596 114.554 -0.479 0.000 3.113 118 T HA 0.037 4.387 4.350 0.001 0.000 0.263 118 T C 1.182 175.690 174.700 -0.320 0.000 1.143 118 T CA 1.091 63.000 62.100 -0.318 0.000 1.090 118 T CB -0.294 68.420 68.868 -0.257 0.000 0.922 118 T HN 0.544 nan 8.240 nan 0.000 0.521 119 L N -1.710 119.219 121.223 -0.491 0.000 2.701 119 L HA 0.431 4.772 4.340 0.001 0.000 0.238 119 L C 1.812 178.594 176.870 -0.147 0.000 1.106 119 L CA -0.116 54.533 54.840 -0.319 0.000 0.898 119 L CB -0.190 41.672 42.059 -0.327 0.000 1.188 119 L HN 0.170 nan 8.230 nan 0.000 0.508 120 F N 1.263 121.184 119.950 -0.049 0.000 2.325 120 F HA 0.138 4.665 4.527 0.000 0.000 0.299 120 F C 1.778 177.574 175.800 -0.006 0.000 1.090 120 F CA 0.399 58.389 58.000 -0.017 0.000 1.392 120 F CB -0.330 38.661 39.000 -0.015 0.000 1.053 120 F HN 0.202 nan 8.300 nan 0.000 0.521 121 G N 0.169 109.056 108.800 0.145 0.000 2.782 121 G HA2 0.042 4.003 3.960 0.001 0.000 0.228 121 G HA3 0.042 4.003 3.960 0.001 0.000 0.228 121 G C 0.104 175.064 174.900 0.101 0.000 1.372 121 G CA -0.772 44.382 45.100 0.090 0.000 0.862 121 G HN 0.597 nan 8.290 nan 0.000 0.547 122 G N -1.802 107.037 108.800 0.066 0.000 3.019 122 G HA2 0.583 4.543 3.960 0.001 0.000 0.152 122 G HA3 0.583 4.543 3.960 0.001 0.000 0.152 122 G C 0.558 175.488 174.900 0.049 0.000 1.320 122 G CA 0.574 45.709 45.100 0.058 0.000 1.013 122 G HN 1.781 nan 8.290 nan 0.000 0.593 123 N N -0.417 118.306 118.700 0.038 0.000 2.727 123 N HA -0.176 4.564 4.740 0.001 0.000 0.249 123 N C 0.281 175.812 175.510 0.036 0.000 1.048 123 N CA 0.970 54.039 53.050 0.032 0.000 0.714 123 N CB -1.136 37.367 38.487 0.026 0.000 0.959 123 N HN 0.483 nan 8.380 nan 0.000 0.544 124 S N 0.022 115.747 115.700 0.041 0.000 2.537 124 S HA 0.377 4.847 4.470 0.001 0.000 0.286 124 S C -0.055 174.569 174.600 0.039 0.000 1.299 124 S CA -0.093 58.133 58.200 0.043 0.000 1.067 124 S CB 0.493 63.722 63.200 0.048 0.000 0.864 124 S HN 0.367 nan 8.310 nan 0.000 0.494 125 L N 3.881 125.128 121.223 0.040 0.000 2.622 125 L HA 0.449 4.790 4.340 0.001 0.000 0.258 125 L C -1.215 175.684 176.870 0.048 0.000 0.996 125 L CA -0.220 54.644 54.840 0.040 0.000 0.858 125 L CB 2.011 44.090 42.059 0.032 0.000 1.449 125 L HN 0.667 nan 8.230 nan 0.000 0.411 126 Q N 2.374 122.206 119.800 0.053 0.000 2.472 126 Q HA 0.351 4.692 4.340 0.001 0.000 0.227 126 Q C 0.501 176.528 176.000 0.046 0.000 1.156 126 Q CA 0.158 55.998 55.803 0.061 0.000 0.924 126 Q CB 0.709 29.493 28.738 0.076 0.000 1.354 126 Q HN 0.437 nan 8.270 nan 0.000 0.525 127 R N 1.049 121.572 120.500 0.039 0.000 2.200 127 R HA 0.039 4.379 4.340 0.001 0.000 0.208 127 R C 1.307 177.623 176.300 0.028 0.000 1.033 127 R CA 0.698 56.816 56.100 0.030 0.000 1.000 127 R CB 0.268 30.583 30.300 0.025 0.000 0.906 127 R HN 0.910 nan 8.270 nan 0.000 0.462 128 G N 0.898 109.716 108.800 0.030 0.000 2.284 128 G HA2 -0.361 3.599 3.960 0.001 0.000 0.261 128 G HA3 -0.361 3.599 3.960 0.001 0.000 0.261 128 G C 0.519 175.430 174.900 0.017 0.000 0.997 128 G CA 0.942 46.057 45.100 0.025 0.000 0.621 128 G HN 0.492 nan 8.290 nan 0.000 0.534 129 T N -1.604 112.959 114.554 0.016 0.000 2.847 129 T HA 0.635 4.985 4.350 0.001 0.000 0.279 129 T C 0.095 174.801 174.700 0.010 0.000 0.984 129 T CA -0.084 62.023 62.100 0.013 0.000 0.988 129 T CB 1.868 70.745 68.868 0.015 0.000 1.040 129 T HN 0.297 nan 8.240 nan 0.000 0.528 130 Q N 2.145 121.951 119.800 0.009 0.000 2.304 130 Q HA 0.364 4.704 4.340 0.001 0.000 0.260 130 Q C -2.091 173.916 176.000 0.013 0.000 0.965 130 Q CA -1.507 54.300 55.803 0.007 0.000 0.898 130 Q CB 0.464 29.206 28.738 0.007 0.000 1.196 130 Q HN 0.508 nan 8.270 nan 0.000 0.402 131 P HA 0.088 nan 4.420 nan 0.000 0.274 131 P C -0.449 176.868 177.300 0.029 0.000 1.256 131 P CA -0.248 62.864 63.100 0.020 0.000 0.795 131 P CB 0.822 32.531 31.700 0.014 0.000 1.038 132 D N -0.814 119.612 120.400 0.043 0.000 2.149 132 D HA -0.013 4.628 4.640 0.001 0.000 0.201 132 D C 0.703 177.034 176.300 0.050 0.000 0.972 132 D CA 1.417 55.452 54.000 0.058 0.000 0.835 132 D CB 0.122 40.974 40.800 0.087 0.000 0.966 132 D HN 0.285 nan 8.370 nan 0.000 0.476 133 L N -2.259 118.990 121.223 0.043 0.000 2.568 133 L HA 0.553 4.893 4.340 0.001 0.000 0.257 133 L C -1.141 175.741 176.870 0.020 0.000 1.024 133 L CA -0.535 54.324 54.840 0.031 0.000 0.854 133 L CB 1.593 43.674 42.059 0.036 0.000 1.460 133 L HN -0.381 nan 8.230 nan 0.000 0.409 134 T N 2.782 117.341 114.554 0.008 0.000 2.841 134 T HA 0.752 5.103 4.350 0.001 0.000 0.283 134 T C -0.175 174.519 174.700 -0.009 0.000 1.000 134 T CA -0.400 61.696 62.100 -0.006 0.000 0.977 134 T CB 1.796 70.656 68.868 -0.013 0.000 0.979 134 T HN 0.515 nan 8.240 nan 0.000 0.446 135 L N 2.622 123.828 121.223 -0.028 0.000 2.322 135 L HA 0.768 5.108 4.340 0.001 0.000 0.281 135 L C -0.757 176.041 176.870 -0.121 0.000 1.014 135 L CA -1.164 53.630 54.840 -0.077 0.000 0.815 135 L CB 1.711 43.719 42.059 -0.084 0.000 1.247 135 L HN 0.294 nan 8.230 nan 0.000 0.421 136 V N 3.185 123.032 119.914 -0.112 0.000 2.443 136 V HA 0.402 4.522 4.120 0.001 0.000 0.293 136 V C -0.558 175.510 176.094 -0.043 0.000 1.021 136 V CA -0.365 61.944 62.300 0.014 0.000 0.848 136 V CB 1.478 33.402 31.823 0.168 0.000 0.998 136 V HN 0.396 nan 8.190 nan 0.000 0.424 137 F N 2.374 122.368 119.950 0.073 0.000 2.408 137 F HA 0.364 4.891 4.527 0.000 0.000 0.344 137 F C 0.801 176.745 175.800 0.241 0.000 1.112 137 F CA -0.403 57.664 58.000 0.112 0.000 1.096 137 F CB 1.088 40.087 39.000 -0.001 0.000 1.129 137 F HN 0.410 nan 8.300 nan 0.000 0.486 138 D N 5.686 126.311 120.400 0.374 0.000 2.374 138 D HA 0.223 4.863 4.640 0.001 0.000 0.240 138 D C -0.022 176.592 176.300 0.525 0.000 1.229 138 D CA 0.276 54.525 54.000 0.415 0.000 0.895 138 D CB 0.105 41.100 40.800 0.326 0.000 1.046 138 D HN 0.612 nan 8.370 nan 0.000 0.498 139 R N 1.285 122.059 120.500 0.456 0.000 1.344 139 R HA -0.183 4.157 4.340 0.001 0.000 0.438 139 R C -0.182 176.349 176.300 0.385 0.000 1.330 139 R CA 0.030 56.338 56.100 0.347 0.000 1.237 139 R CB -0.654 29.742 30.300 0.159 0.000 3.375 139 R HN 0.635 nan 8.270 nan 0.000 0.516 140 H N 2.495 121.606 119.070 0.068 0.000 2.525 140 H HA 0.223 4.780 4.556 0.000 0.000 0.340 140 H C -1.783 173.358 175.328 -0.312 0.000 1.168 140 H CA -2.221 53.709 56.048 -0.195 0.000 1.247 140 H CB 1.902 31.430 29.762 -0.389 0.000 1.568 140 H HN 0.219 nan 8.280 nan 0.000 0.536 141 P HA -0.187 nan 4.420 nan 0.000 0.219 141 P C 1.536 178.709 177.300 -0.213 0.000 1.144 141 P CA 0.773 63.582 63.100 -0.486 0.000 0.806 141 P CB 0.201 31.521 31.700 -0.633 0.000 0.771 142 V N -0.439 119.514 119.914 0.065 0.000 2.568 142 V HA -0.273 3.848 4.120 0.001 0.000 0.253 142 V C 2.053 178.144 176.094 -0.005 0.000 1.072 142 V CA 2.178 64.512 62.300 0.056 0.000 1.084 142 V CB -1.210 30.651 31.823 0.062 0.000 0.676 142 V HN 0.093 nan 8.190 nan 0.000 0.469 143 A N 0.226 123.056 122.820 0.016 0.000 1.877 143 A HA -0.181 4.139 4.320 0.001 0.000 0.216 143 A C 2.504 180.146 177.584 0.097 0.000 1.186 143 A CA 2.488 54.609 52.037 0.140 0.000 0.620 143 A CB -0.802 18.292 19.000 0.157 0.000 0.822 143 A HN 0.815 nan 8.150 nan 0.000 0.443 144 S N -1.217 114.437 115.700 -0.076 0.000 2.478 144 S HA -0.054 4.416 4.470 0.001 0.000 0.222 144 S C 1.666 176.260 174.600 -0.010 0.000 1.008 144 S CA 1.313 59.471 58.200 -0.069 0.000 0.928 144 S CB -0.653 62.539 63.200 -0.014 0.000 0.781 144 S HN 0.724 nan 8.310 nan 0.000 0.518 145 T N -1.324 113.215 114.554 -0.023 0.000 3.037 145 T HA 0.317 4.668 4.350 0.001 0.000 0.252 145 T C 1.396 176.087 174.700 -0.014 0.000 1.073 145 T CA 0.552 62.643 62.100 -0.015 0.000 1.091 145 T CB 0.076 68.923 68.868 -0.036 0.000 0.935 145 T HN 0.256 nan 8.240 nan 0.000 0.488 146 V N -0.220 119.678 119.914 -0.027 0.000 3.161 146 V HA 0.123 4.243 4.120 0.001 0.000 0.221 146 V C 2.728 178.766 176.094 -0.092 0.000 1.296 146 V CA 0.170 62.440 62.300 -0.051 0.000 1.306 146 V CB -0.480 31.296 31.823 -0.078 0.000 1.171 146 V HN 0.463 nan 8.190 nan 0.000 0.513 147 C N 0.527 119.742 119.300 -0.142 0.000 2.436 147 C HA -0.095 4.365 4.460 0.001 0.000 0.277 147 C C 2.583 177.449 174.990 -0.207 0.000 1.241 147 C CA 1.189 60.023 59.018 -0.306 0.000 1.721 147 C CB -1.074 26.275 27.740 -0.652 0.000 2.043 147 C HN 0.539 nan 8.230 nan 0.000 0.472 148 F N 1.209 121.057 119.950 -0.170 0.000 2.146 148 F HA 0.003 4.530 4.527 0.000 0.000 0.298 148 F C -0.134 175.594 175.800 -0.121 0.000 1.096 148 F CA 1.520 59.434 58.000 -0.142 0.000 1.275 148 F CB -2.109 36.763 39.000 -0.214 0.000 1.008 148 F HN 0.166 nan 8.300 nan 0.000 0.480 149 P HA -0.207 nan 4.420 nan 0.000 0.215 149 P C 1.516 178.825 177.300 0.015 0.000 1.153 149 P CA 2.288 65.407 63.100 0.032 0.000 0.853 149 P CB -0.202 31.509 31.700 0.019 0.000 0.788 150 A N -0.014 122.783 122.820 -0.038 0.000 1.877 150 A HA -0.156 4.164 4.320 0.001 0.000 0.216 150 A C 2.341 179.913 177.584 -0.020 0.000 1.186 150 A CA 2.291 54.302 52.037 -0.043 0.000 0.620 150 A CB -1.672 17.249 19.000 -0.130 0.000 0.822 150 A HN 0.189 nan 8.150 nan 0.000 0.443 151 A N -0.280 122.478 122.820 -0.103 0.000 1.865 151 A HA -0.212 4.108 4.320 0.001 0.000 0.217 151 A C 2.225 179.775 177.584 -0.058 0.000 1.191 151 A CA 1.704 53.670 52.037 -0.118 0.000 0.623 151 A CB -0.529 18.350 19.000 -0.202 0.000 0.826 151 A HN 0.431 nan 8.150 nan 0.000 0.444 152 R N -1.644 118.845 120.500 -0.018 0.000 2.091 152 R HA -0.178 4.162 4.340 0.001 0.000 0.238 152 R C 2.075 178.386 176.300 0.018 0.000 1.136 152 R CA 1.797 57.900 56.100 0.006 0.000 0.959 152 R CB -1.170 29.146 30.300 0.027 0.000 0.856 152 R HN 0.787 nan 8.270 nan 0.000 0.437 153 Y N 1.619 121.877 120.300 -0.070 0.000 2.145 153 Y HA -0.149 4.402 4.550 0.001 0.000 0.286 153 Y C 2.140 177.990 175.900 -0.083 0.000 1.145 153 Y CA 1.416 59.468 58.100 -0.080 0.000 1.148 153 Y CB -0.494 37.899 38.460 -0.111 0.000 0.981 153 Y HN -0.085 nan 8.280 nan 0.000 0.507 154 L N -0.218 120.829 121.223 -0.292 0.000 2.131 154 L HA -0.201 4.139 4.340 0.001 0.000 0.210 154 L C 2.160 178.860 176.870 -0.284 0.000 1.092 154 L CA 1.066 55.689 54.840 -0.361 0.000 0.759 154 L CB -0.470 41.501 42.059 -0.146 0.000 0.903 154 L HN 0.277 nan 8.230 nan 0.000 0.435 155 L N -0.499 120.614 121.223 -0.183 0.000 2.599 155 L HA 0.119 4.459 4.340 0.001 0.000 0.230 155 L C 1.425 178.221 176.870 -0.125 0.000 1.141 155 L CA 0.550 55.316 54.840 -0.123 0.000 0.877 155 L CB -0.347 41.674 42.059 -0.063 0.000 1.009 155 L HN 0.465 nan 8.230 nan 0.000 0.447 156 G N -0.223 108.472 108.800 -0.176 0.000 2.136 156 G HA2 -0.254 3.706 3.960 0.001 0.000 0.242 156 G HA3 -0.254 3.706 3.960 0.001 0.000 0.242 156 G C 0.377 175.242 174.900 -0.058 0.000 0.989 156 G CA 0.364 45.382 45.100 -0.137 0.000 0.682 156 G HN 0.334 nan 8.290 nan 0.000 0.522 157 D N -0.138 120.242 120.400 -0.034 0.000 2.354 157 D HA 0.247 4.887 4.640 0.001 0.000 0.209 157 D C 1.607 177.924 176.300 0.029 0.000 1.015 157 D CA 1.449 55.451 54.000 0.004 0.000 0.867 157 D CB 0.095 40.901 40.800 0.010 0.000 0.933 157 D HN 0.843 nan 8.370 nan 0.000 0.520 158 M N -1.989 117.638 119.600 0.045 0.000 2.682 158 M HA 0.398 4.878 4.480 0.001 0.000 0.272 158 M C -0.735 175.648 176.300 0.139 0.000 1.232 158 M CA -1.003 54.344 55.300 0.077 0.000 0.849 158 M CB 2.069 34.715 32.600 0.076 0.000 1.695 158 M HN -0.220 nan 8.290 nan 0.000 0.481 159 S N 0.666 116.439 115.700 0.121 0.000 2.669 159 S HA 0.420 4.891 4.470 0.001 0.000 0.270 159 S C 0.698 175.375 174.600 0.128 0.000 1.225 159 S CA -0.467 57.824 58.200 0.152 0.000 0.991 159 S CB 1.294 64.538 63.200 0.073 0.000 0.987 159 S HN 0.935 nan 8.310 nan 0.000 0.552 160 M N 1.045 120.679 119.600 0.057 0.000 2.149 160 M HA -0.057 4.424 4.480 0.001 0.000 0.261 160 M C 2.109 178.326 176.300 -0.137 0.000 1.064 160 M CA 1.534 56.681 55.300 -0.255 0.000 1.102 160 M CB -1.359 31.092 32.600 -0.249 0.000 1.369 160 M HN 0.893 nan 8.290 nan 0.000 0.408 161 C N 0.136 119.406 119.300 -0.049 0.000 2.413 161 C HA -0.104 4.356 4.460 0.001 0.000 0.276 161 C C 2.815 177.798 174.990 -0.012 0.000 1.236 161 C CA 1.554 60.558 59.018 -0.023 0.000 1.735 161 C CB -1.650 26.092 27.740 0.003 0.000 2.031 161 C HN 0.697 nan 8.230 nan 0.000 0.474 162 A N -0.152 122.668 122.820 0.000 0.000 1.898 162 A HA -0.065 4.255 4.320 0.001 0.000 0.216 162 A C 2.063 179.648 177.584 0.001 0.000 1.181 162 A CA 1.738 53.784 52.037 0.014 0.000 0.620 162 A CB -0.818 18.203 19.000 0.035 0.000 0.819 162 A HN 0.632 nan 8.150 nan 0.000 0.442 163 L N -0.665 120.536 121.223 -0.037 0.000 2.012 163 L HA -0.181 4.160 4.340 0.001 0.000 0.210 163 L C 2.381 179.244 176.870 -0.011 0.000 1.073 163 L CA 2.141 56.944 54.840 -0.061 0.000 0.748 163 L CB -0.545 41.374 42.059 -0.234 0.000 0.891 163 L HN 0.325 nan 8.230 nan 0.000 0.431 164 M N -0.734 118.859 119.600 -0.011 0.000 2.149 164 M HA -0.185 4.295 4.480 0.001 0.000 0.261 164 M C 2.371 178.675 176.300 0.007 0.000 1.064 164 M CA 1.816 57.122 55.300 0.011 0.000 1.102 164 M CB -1.480 31.117 32.600 -0.005 0.000 1.369 164 M HN 0.489 nan 8.290 nan 0.000 0.408 165 A N 0.553 123.379 122.820 0.009 0.000 1.902 165 A HA -0.168 4.152 4.320 0.001 0.000 0.217 165 A C 2.171 179.764 177.584 0.015 0.000 1.181 165 A CA 1.648 53.695 52.037 0.016 0.000 0.623 165 A CB -0.465 18.547 19.000 0.022 0.000 0.818 165 A HN 0.545 nan 8.150 nan 0.000 0.443 166 M N -0.778 118.832 119.600 0.015 0.000 2.156 166 M HA -0.040 4.440 4.480 0.001 0.000 0.264 166 M C 2.088 178.390 176.300 0.003 0.000 1.067 166 M CA 1.205 56.513 55.300 0.015 0.000 1.131 166 M CB -1.067 31.544 32.600 0.019 0.000 1.368 166 M HN 0.154 nan 8.290 nan 0.000 0.416 167 V N 1.589 121.505 119.914 0.004 0.000 2.343 167 V HA -0.223 3.897 4.120 0.001 0.000 0.247 167 V C 2.930 179.006 176.094 -0.030 0.000 1.051 167 V CA 1.979 64.273 62.300 -0.010 0.000 1.036 167 V CB -1.282 30.545 31.823 0.006 0.000 0.654 167 V HN 0.543 nan 8.190 nan 0.000 0.451 168 A N 0.551 123.357 122.820 -0.023 0.000 2.032 168 A HA -0.249 4.072 4.320 0.001 0.000 0.221 168 A C 2.352 179.927 177.584 -0.015 0.000 1.165 168 A CA 2.425 54.451 52.037 -0.018 0.000 0.645 168 A CB -0.823 18.176 19.000 -0.002 0.000 0.807 168 A HN 0.672 nan 8.150 nan 0.000 0.453 169 T N -2.740 111.806 114.554 -0.014 0.000 3.129 169 T HA 0.267 4.617 4.350 0.001 0.000 0.251 169 T C 0.551 175.227 174.700 -0.041 0.000 1.117 169 T CA 0.099 62.189 62.100 -0.016 0.000 1.034 169 T CB -0.628 68.239 68.868 -0.003 0.000 0.968 169 T HN 0.247 nan 8.240 nan 0.000 0.526 170 L N 4.545 125.739 121.223 -0.049 0.000 2.628 170 L HA 0.284 4.624 4.340 0.001 0.000 0.274 170 L C -2.357 174.459 176.870 -0.090 0.000 1.209 170 L CA -1.452 53.341 54.840 -0.077 0.000 0.930 170 L CB 0.067 42.092 42.059 -0.056 0.000 1.183 170 L HN 0.023 nan 8.230 nan 0.000 0.492 171 P HA 0.127 nan 4.420 nan 0.000 0.282 171 P C -1.002 176.249 177.300 -0.081 0.000 1.249 171 P CA -0.659 62.357 63.100 -0.141 0.000 0.806 171 P CB 0.700 32.231 31.700 -0.282 0.000 0.984 172 R N 1.918 122.424 120.500 0.009 0.000 2.522 172 R HA -0.010 4.330 4.340 0.001 0.000 0.284 172 R C 0.080 176.472 176.300 0.154 0.000 1.032 172 R CA 0.031 56.167 56.100 0.059 0.000 1.049 172 R CB 0.081 30.415 30.300 0.055 0.000 0.956 172 R HN 0.415 nan 8.270 nan 0.000 0.422 173 E N 6.627 126.920 120.200 0.155 0.000 2.257 173 E HA 0.181 4.531 4.350 0.001 0.000 0.278 173 E C -2.149 174.551 176.600 0.165 0.000 1.049 173 E CA -1.964 54.575 56.400 0.231 0.000 0.876 173 E CB 0.881 30.688 29.700 0.178 0.000 1.035 173 E HN 0.347 nan 8.360 nan 0.000 0.419 174 P HA 0.003 nan 4.420 nan 0.000 0.274 174 P C -0.846 176.527 177.300 0.122 0.000 1.256 174 P CA -0.352 62.827 63.100 0.133 0.000 0.795 174 P CB 0.266 32.050 31.700 0.140 0.000 1.038 175 Q N -0.395 119.461 119.800 0.095 0.000 2.349 175 Q HA 0.279 4.620 4.340 0.001 0.000 0.287 175 Q C 0.684 176.729 176.000 0.075 0.000 1.044 175 Q CA 0.266 56.115 55.803 0.077 0.000 0.918 175 Q CB -0.655 28.121 28.738 0.062 0.000 1.242 175 Q HN 0.854 nan 8.270 nan 0.000 0.405 176 G N 1.410 110.247 108.800 0.062 0.000 2.179 176 G HA2 -0.209 3.751 3.960 0.001 0.000 0.220 176 G HA3 -0.209 3.751 3.960 0.001 0.000 0.220 176 G C 0.371 175.290 174.900 0.033 0.000 0.990 176 G CA -0.415 44.710 45.100 0.042 0.000 0.646 176 G HN 1.080 nan 8.290 nan 0.000 0.517 177 G N 0.158 109.003 108.800 0.076 0.000 2.380 177 G HA2 0.433 4.393 3.960 0.001 0.000 0.242 177 G HA3 0.433 4.393 3.960 0.001 0.000 0.242 177 G C -0.156 174.849 174.900 0.175 0.000 1.298 177 G CA 0.030 45.222 45.100 0.154 0.000 0.878 177 G HN 0.408 nan 8.290 nan 0.000 0.542 178 N N 0.892 119.729 118.700 0.229 0.000 2.314 178 N HA 0.357 5.098 4.740 0.001 0.000 0.294 178 N C -1.200 174.518 175.510 0.347 0.000 1.029 178 N CA -0.469 52.754 53.050 0.288 0.000 0.845 178 N CB 2.900 41.543 38.487 0.260 0.000 1.321 178 N HN 0.466 nan 8.380 nan 0.000 0.481 179 I N 1.483 122.240 120.570 0.312 0.000 2.433 179 I HA 0.383 4.553 4.170 0.001 0.000 0.292 179 I C -1.169 175.125 176.117 0.294 0.000 1.001 179 I CA -0.803 60.663 61.300 0.277 0.000 1.119 179 I CB 1.431 39.494 38.000 0.105 0.000 1.289 179 I HN 0.104 nan 8.210 nan 0.000 0.438 180 V N 8.020 128.087 119.914 0.255 0.000 2.350 180 V HA 0.312 4.432 4.120 0.001 0.000 0.285 180 V C -0.155 176.028 176.094 0.148 0.000 1.014 180 V CA -0.634 61.799 62.300 0.221 0.000 0.831 180 V CB 1.441 33.361 31.823 0.160 0.000 1.000 180 V HN 0.459 nan 8.190 nan 0.000 0.433 181 V N 4.844 124.829 119.914 0.118 0.000 2.461 181 V HA 0.314 4.434 4.120 0.001 0.000 0.275 181 V C 0.846 176.933 176.094 -0.013 0.000 1.047 181 V CA -0.287 62.036 62.300 0.038 0.000 0.955 181 V CB 1.795 33.649 31.823 0.051 0.000 0.988 181 V HN 1.009 nan 8.190 nan 0.000 0.471 182 T N 1.836 116.334 114.554 -0.094 0.000 2.897 182 T HA 0.575 4.926 4.350 0.001 0.000 0.294 182 T C 0.034 174.637 174.700 -0.161 0.000 1.004 182 T CA -0.434 61.608 62.100 -0.098 0.000 1.106 182 T CB 1.190 69.994 68.868 -0.107 0.000 0.949 182 T HN 0.845 nan 8.240 nan 0.000 0.520 183 T N 0.512 115.012 114.554 -0.090 0.000 2.907 183 T HA 0.752 5.102 4.350 0.001 0.000 0.292 183 T C -1.094 173.578 174.700 -0.046 0.000 1.043 183 T CA -1.010 61.045 62.100 -0.074 0.000 1.003 183 T CB 1.744 70.660 68.868 0.079 0.000 1.084 183 T HN 0.796 nan 8.240 nan 0.000 0.483 184 L N 2.213 123.419 121.223 -0.028 0.000 2.643 184 L HA 0.446 4.786 4.340 0.001 0.000 0.257 184 L C -0.983 175.920 176.870 0.055 0.000 0.922 184 L CA -0.515 54.318 54.840 -0.012 0.000 0.909 184 L CB 1.893 43.892 42.059 -0.100 0.000 1.424 184 L HN 1.085 nan 8.230 nan 0.000 0.422 185 N N 3.060 121.804 118.700 0.073 0.000 2.407 185 N HA 0.070 4.810 4.740 0.001 0.000 0.250 185 N C 0.779 176.353 175.510 0.107 0.000 1.236 185 N CA 0.250 53.354 53.050 0.091 0.000 0.879 185 N CB 1.002 39.528 38.487 0.066 0.000 1.088 185 N HN 0.459 nan 8.380 nan 0.000 0.450 186 V N 1.309 121.290 119.914 0.112 0.000 2.490 186 V HA -0.247 3.873 4.120 0.001 0.000 0.250 186 V C 1.597 177.733 176.094 0.070 0.000 1.061 186 V CA 1.932 64.299 62.300 0.111 0.000 1.064 186 V CB -0.794 31.073 31.823 0.073 0.000 0.670 186 V HN 0.773 nan 8.190 nan 0.000 0.461 187 E N 0.021 120.253 120.200 0.053 0.000 2.051 187 E HA -0.248 4.102 4.350 0.001 0.000 0.192 187 E C 2.149 178.775 176.600 0.044 0.000 0.991 187 E CA 1.594 58.014 56.400 0.033 0.000 0.799 187 E CB -0.298 29.418 29.700 0.027 0.000 0.748 187 E HN 0.653 nan 8.360 nan 0.000 0.449 188 E N -0.018 120.218 120.200 0.061 0.000 2.106 188 E HA -0.204 4.146 4.350 0.001 0.000 0.192 188 E C 1.874 178.536 176.600 0.105 0.000 0.984 188 E CA 1.484 57.922 56.400 0.064 0.000 0.806 188 E CB -0.243 29.487 29.700 0.051 0.000 0.750 188 E HN 0.555 nan 8.360 nan 0.000 0.458 189 H N -0.427 118.637 119.070 -0.010 0.000 2.289 189 H HA -0.131 4.425 4.556 0.001 0.000 0.296 189 H C 1.700 177.009 175.328 -0.031 0.000 1.091 189 H CA 1.610 57.640 56.048 -0.029 0.000 1.274 189 H CB 0.078 29.812 29.762 -0.047 0.000 1.364 189 H HN 0.179 nan 8.280 nan 0.000 0.490 190 I N 0.934 121.493 120.570 -0.019 0.000 2.315 190 I HA -0.225 3.945 4.170 0.001 0.000 0.248 190 I C 2.693 178.803 176.117 -0.012 0.000 1.117 190 I CA 1.030 62.276 61.300 -0.091 0.000 1.404 190 I CB -1.165 36.777 38.000 -0.098 0.000 1.071 190 I HN 0.356 nan 8.210 nan 0.000 0.419 191 R N 1.029 121.540 120.500 0.019 0.000 2.094 191 R HA -0.197 4.143 4.340 0.001 0.000 0.239 191 R C 2.494 178.817 176.300 0.039 0.000 1.137 191 R CA 1.777 57.893 56.100 0.026 0.000 0.943 191 R CB -0.154 30.164 30.300 0.030 0.000 0.850 191 R HN 0.343 nan 8.270 nan 0.000 0.433 192 R N 0.161 120.699 120.500 0.063 0.000 2.083 192 R HA -0.150 4.190 4.340 0.001 0.000 0.237 192 R C 2.458 178.806 176.300 0.080 0.000 1.137 192 R CA 1.565 57.710 56.100 0.075 0.000 0.951 192 R CB -0.478 29.878 30.300 0.092 0.000 0.851 192 R HN 0.236 nan 8.270 nan 0.000 0.434 193 L N 0.214 121.486 121.223 0.083 0.000 2.083 193 L HA -0.191 4.149 4.340 0.001 0.000 0.209 193 L C 2.755 179.652 176.870 0.045 0.000 1.083 193 L CA 1.304 56.186 54.840 0.070 0.000 0.752 193 L CB -0.382 41.690 42.059 0.020 0.000 0.899 193 L HN 0.143 nan 8.230 nan 0.000 0.433 194 R N -0.179 120.336 120.500 0.025 0.000 2.070 194 R HA -0.153 4.188 4.340 0.001 0.000 0.233 194 R C 2.488 178.802 176.300 0.023 0.000 1.137 194 R CA 2.129 58.239 56.100 0.017 0.000 0.945 194 R CB -0.979 29.326 30.300 0.008 0.000 0.845 194 R HN 0.542 nan 8.270 nan 0.000 0.430 195 T N -1.145 113.426 114.554 0.028 0.000 2.759 195 T HA -0.210 4.140 4.350 0.001 0.000 0.269 195 T C 2.000 176.719 174.700 0.033 0.000 1.042 195 T CA 1.479 63.595 62.100 0.028 0.000 1.140 195 T CB -0.211 68.674 68.868 0.029 0.000 0.864 195 T HN 0.233 nan 8.240 nan 0.000 0.455 196 R N 1.697 122.224 120.500 0.044 0.000 2.148 196 R HA 0.350 4.691 4.340 0.001 0.000 0.223 196 R C 1.145 177.471 176.300 0.043 0.000 1.088 196 R CA 0.699 56.830 56.100 0.052 0.000 0.985 196 R CB -0.546 29.800 30.300 0.077 0.000 0.880 196 R HN 0.551 nan 8.270 nan 0.000 0.451 197 A N 0.589 123.431 122.820 0.036 0.000 2.332 197 A HA 0.542 4.862 4.320 0.001 0.000 0.258 197 A C 0.411 178.004 177.584 0.015 0.000 1.087 197 A CA 0.031 52.081 52.037 0.023 0.000 0.802 197 A CB 0.226 19.235 19.000 0.015 0.000 1.042 197 A HN 0.599 nan 8.150 nan 0.000 0.489 198 R N -0.564 119.941 120.500 0.008 0.000 2.828 198 R HA 0.487 4.828 4.340 0.001 0.000 0.270 198 R C 1.886 178.188 176.300 0.004 0.000 1.244 198 R CA 0.968 57.072 56.100 0.006 0.000 1.143 198 R CB -1.421 28.881 30.300 0.003 0.000 1.128 198 R HN 2.048 nan 8.270 nan 0.000 0.587 199 I N -1.003 119.569 120.570 0.004 0.000 2.113 199 I HA -0.005 4.165 4.170 0.001 0.000 0.242 199 I C 2.044 178.162 176.117 0.002 0.000 1.064 199 I CA 3.236 64.538 61.300 0.003 0.000 1.320 199 I CB -1.134 36.868 38.000 0.003 0.000 1.028 199 I HN 1.028 nan 8.210 nan 0.000 0.406 200 G N -0.424 108.376 108.800 -0.000 0.000 3.979 200 G HA2 0.388 4.348 3.960 0.001 0.000 0.287 200 G HA3 0.388 4.348 3.960 0.001 0.000 0.287 200 G C 0.236 175.133 174.900 -0.005 0.000 1.011 200 G CA 0.496 45.595 45.100 -0.002 0.000 0.818 200 G HN 0.718 nan 8.290 nan 0.000 0.470 201 E N 1.124 121.320 120.200 -0.007 0.000 2.465 201 E HA 0.097 4.448 4.350 0.001 0.000 0.260 201 E C 0.276 176.866 176.600 -0.016 0.000 0.980 201 E CA 0.069 56.461 56.400 -0.014 0.000 0.927 201 E CB 0.477 30.167 29.700 -0.016 0.000 0.934 201 E HN 0.334 nan 8.360 nan 0.000 0.459 202 Q N 2.763 122.550 119.800 -0.022 0.000 2.417 202 Q HA 0.311 4.652 4.340 0.001 0.000 0.241 202 Q C -0.334 175.649 176.000 -0.028 0.000 1.008 202 Q CA -0.008 55.782 55.803 -0.021 0.000 0.901 202 Q CB 1.027 29.755 28.738 -0.017 0.000 1.259 202 Q HN 0.542 nan 8.270 nan 0.000 0.489 203 I N 0.920 121.478 120.570 -0.020 0.000 2.433 203 I HA 0.083 4.253 4.170 0.001 0.000 0.292 203 I C -0.393 175.723 176.117 -0.002 0.000 1.001 203 I CA -0.634 60.658 61.300 -0.014 0.000 1.119 203 I CB 1.740 39.726 38.000 -0.022 0.000 1.289 203 I HN 0.471 nan 8.210 nan 0.000 0.438 204 D N 6.987 127.404 120.400 0.029 0.000 2.489 204 D HA 0.072 4.712 4.640 0.001 0.000 0.237 204 D C 1.290 177.609 176.300 0.032 0.000 1.212 204 D CA 0.137 54.173 54.000 0.061 0.000 1.058 204 D CB 0.487 41.377 40.800 0.151 0.000 1.098 204 D HN 0.309 nan 8.370 nan 0.000 0.509 205 I N 1.539 122.106 120.570 -0.006 0.000 2.264 205 I HA -0.241 3.929 4.170 0.001 0.000 0.248 205 I C 2.160 178.262 176.117 -0.025 0.000 1.111 205 I CA 0.966 62.243 61.300 -0.038 0.000 1.382 205 I CB -1.138 36.841 38.000 -0.035 0.000 1.060 205 I HN 0.270 nan 8.210 nan 0.000 0.418 206 T N 1.653 116.207 114.554 -0.000 0.000 2.746 206 T HA -0.160 4.190 4.350 0.001 0.000 0.267 206 T C 1.966 176.667 174.700 0.002 0.000 1.039 206 T CA 1.210 63.311 62.100 0.003 0.000 1.142 206 T CB -0.391 68.484 68.868 0.013 0.000 0.866 206 T HN 0.197 nan 8.240 nan 0.000 0.444 207 L N 0.953 122.193 121.223 0.030 0.000 2.017 207 L HA 0.038 4.379 4.340 0.001 0.000 0.208 207 L C 2.123 178.990 176.870 -0.004 0.000 1.073 207 L CA 1.562 56.428 54.840 0.043 0.000 0.745 207 L CB -0.642 41.508 42.059 0.153 0.000 0.894 207 L HN 0.257 nan 8.230 nan 0.000 0.432 208 I N -0.351 120.197 120.570 -0.036 0.000 2.226 208 I HA -0.299 3.871 4.170 0.001 0.000 0.245 208 I C 2.620 178.684 176.117 -0.088 0.000 1.100 208 I CA 1.238 62.455 61.300 -0.138 0.000 1.374 208 I CB -0.650 37.181 38.000 -0.281 0.000 1.057 208 I HN 0.375 nan 8.210 nan 0.000 0.413 209 A N 0.260 123.046 122.820 -0.056 0.000 1.917 209 A HA -0.246 4.074 4.320 0.001 0.000 0.219 209 A C 2.389 179.969 177.584 -0.007 0.000 1.182 209 A CA 2.678 54.707 52.037 -0.014 0.000 0.633 209 A CB -1.189 17.809 19.000 -0.004 0.000 0.819 209 A HN 0.413 nan 8.150 nan 0.000 0.448 210 T N 0.234 114.766 114.554 -0.036 0.000 2.737 210 T HA -0.046 4.304 4.350 0.001 0.000 0.265 210 T C 1.832 176.468 174.700 -0.107 0.000 1.038 210 T CA 1.388 63.448 62.100 -0.068 0.000 1.144 210 T CB -0.356 68.465 68.868 -0.078 0.000 0.866 210 T HN 0.347 nan 8.240 nan 0.000 0.434 211 L N 0.386 121.536 121.223 -0.122 0.000 2.083 211 L HA -0.083 4.257 4.340 0.001 0.000 0.209 211 L C 2.907 179.754 176.870 -0.038 0.000 1.083 211 L CA 1.317 56.061 54.840 -0.160 0.000 0.752 211 L CB -0.414 41.510 42.059 -0.226 0.000 0.899 211 L HN 0.172 nan 8.230 nan 0.000 0.433 212 R N -0.237 120.250 120.500 -0.022 0.000 2.083 212 R HA -0.158 4.182 4.340 0.001 0.000 0.237 212 R C 2.110 178.424 176.300 0.024 0.000 1.137 212 R CA 1.574 57.665 56.100 -0.015 0.000 0.951 212 R CB -0.444 29.890 30.300 0.057 0.000 0.851 212 R HN 0.427 nan 8.270 nan 0.000 0.434 213 N N 0.277 119.019 118.700 0.070 0.000 2.120 213 N HA -0.117 4.624 4.740 0.001 0.000 0.188 213 N C 1.913 177.322 175.510 -0.169 0.000 1.024 213 N CA 1.098 54.185 53.050 0.063 0.000 0.852 213 N CB -0.358 38.101 38.487 -0.047 0.000 1.003 213 N HN 0.011 nan 8.380 nan 0.000 0.424 214 V N 0.680 120.451 119.914 -0.239 0.000 2.332 214 V HA -0.241 3.879 4.120 0.001 0.000 0.248 214 V C 1.796 177.686 176.094 -0.339 0.000 1.055 214 V CA 1.454 63.553 62.300 -0.334 0.000 1.038 214 V CB -0.734 30.864 31.823 -0.374 0.000 0.651 214 V HN 0.246 nan 8.190 nan 0.000 0.450 215 Y N -1.182 118.982 120.300 -0.225 0.000 2.293 215 Y HA -0.087 4.464 4.550 0.000 0.000 0.291 215 Y C 2.172 177.958 175.900 -0.190 0.000 1.137 215 Y CA 1.424 59.384 58.100 -0.233 0.000 1.202 215 Y CB -0.514 37.767 38.460 -0.298 0.000 0.990 215 Y HN 0.179 nan 8.280 nan 0.000 0.537 216 F N -1.088 118.904 119.950 0.069 0.000 2.146 216 F HA -0.285 4.242 4.527 0.000 0.000 0.298 216 F C 2.359 178.167 175.800 0.013 0.000 1.096 216 F CA 0.932 58.973 58.000 0.069 0.000 1.275 216 F CB -0.414 38.663 39.000 0.127 0.000 1.008 216 F HN 0.008 nan 8.300 nan 0.000 0.480 217 M N -0.511 119.124 119.600 0.059 0.000 2.108 217 M HA -0.240 4.240 4.480 0.001 0.000 0.261 217 M C 2.232 178.489 176.300 -0.072 0.000 1.066 217 M CA 1.428 56.692 55.300 -0.060 0.000 1.107 217 M CB -0.524 31.923 32.600 -0.255 0.000 1.356 217 M HN 0.233 nan 8.290 nan 0.000 0.406 218 L N 0.214 121.365 121.223 -0.121 0.000 1.994 218 L HA -0.135 4.205 4.340 0.001 0.000 0.208 218 L C 2.233 179.059 176.870 -0.073 0.000 1.071 218 L CA 1.697 56.455 54.840 -0.136 0.000 0.745 218 L CB -0.732 41.222 42.059 -0.175 0.000 0.892 218 L HN 0.038 nan 8.230 nan 0.000 0.431 219 V N 0.642 120.548 119.914 -0.012 0.000 2.282 219 V HA -0.344 3.777 4.120 0.001 0.000 0.249 219 V C 2.447 178.477 176.094 -0.107 0.000 1.057 219 V CA 2.104 64.362 62.300 -0.069 0.000 1.032 219 V CB -1.052 30.815 31.823 0.074 0.000 0.645 219 V HN 0.542 nan 8.190 nan 0.000 0.447 220 N N 0.021 118.771 118.700 0.083 0.000 2.166 220 N HA -0.136 4.604 4.740 0.001 0.000 0.186 220 N C 1.902 177.520 175.510 0.179 0.000 1.019 220 N CA 1.909 55.071 53.050 0.187 0.000 0.856 220 N CB -0.724 37.890 38.487 0.212 0.000 0.993 220 N HN 0.504 nan 8.380 nan 0.000 0.426 221 T N 0.689 115.279 114.554 0.059 0.000 2.684 221 T HA -0.122 4.229 4.350 0.001 0.000 0.267 221 T C 2.238 177.043 174.700 0.175 0.000 1.036 221 T CA 1.144 63.280 62.100 0.059 0.000 1.148 221 T CB -0.553 68.211 68.868 -0.173 0.000 0.863 221 T HN 0.327 nan 8.240 nan 0.000 0.436 222 C N 0.855 120.175 119.300 0.034 0.000 2.429 222 C HA -0.060 4.401 4.460 0.001 0.000 0.277 222 C C 2.692 177.738 174.990 0.093 0.000 1.262 222 C CA 0.223 59.250 59.018 0.015 0.000 1.733 222 C CB -1.292 26.380 27.740 -0.114 0.000 2.010 222 C HN 0.582 nan 8.230 nan 0.000 0.483 223 H N -0.399 118.740 119.070 0.114 0.000 2.319 223 H HA -0.149 4.407 4.556 0.000 0.000 0.299 223 H C 2.065 177.491 175.328 0.163 0.000 1.092 223 H CA 1.902 58.014 56.048 0.106 0.000 1.302 223 H CB -1.008 28.822 29.762 0.113 0.000 1.373 223 H HN 0.582 nan 8.280 nan 0.000 0.497 224 F N 1.312 121.394 119.950 0.220 0.000 2.095 224 F HA -0.202 4.325 4.527 0.001 0.000 0.298 224 F C 2.276 178.176 175.800 0.166 0.000 1.104 224 F CA 1.224 59.340 58.000 0.193 0.000 1.232 224 F CB -0.449 38.696 39.000 0.241 0.000 0.987 224 F HN -0.004 nan 8.300 nan 0.000 0.475 225 L N -0.277 121.137 121.223 0.320 0.000 2.141 225 L HA -0.140 4.200 4.340 0.001 0.000 0.209 225 L C 2.474 179.374 176.870 0.051 0.000 1.094 225 L CA 1.057 55.998 54.840 0.168 0.000 0.763 225 L CB -0.678 41.534 42.059 0.255 0.000 0.908 225 L HN 0.068 nan 8.230 nan 0.000 0.437 226 R N 0.949 121.492 120.500 0.072 0.000 2.115 226 R HA -0.105 4.235 4.340 0.001 0.000 0.226 226 R C 2.378 178.678 176.300 -0.000 0.000 1.100 226 R CA 1.497 57.619 56.100 0.038 0.000 0.980 226 R CB -0.603 29.731 30.300 0.057 0.000 0.875 226 R HN 0.411 nan 8.270 nan 0.000 0.445 227 S N -1.232 114.455 115.700 -0.021 0.000 2.603 227 S HA 0.104 4.574 4.470 0.001 0.000 0.229 227 S C 1.351 175.884 174.600 -0.111 0.000 0.972 227 S CA 0.616 58.777 58.200 -0.066 0.000 0.935 227 S CB -0.228 62.924 63.200 -0.079 0.000 0.769 227 S HN 0.576 nan 8.310 nan 0.000 0.536 228 G N 0.747 109.478 108.800 -0.114 0.000 2.176 228 G HA2 -0.256 3.704 3.960 0.001 0.000 0.253 228 G HA3 -0.256 3.704 3.960 0.001 0.000 0.253 228 G C 0.209 174.995 174.900 -0.190 0.000 0.979 228 G CA 0.017 45.047 45.100 -0.117 0.000 0.641 228 G HN 0.598 nan 8.290 nan 0.000 0.530 229 R N -0.221 120.065 120.500 -0.356 0.000 2.637 229 R HA 0.597 4.937 4.340 0.001 0.000 0.269 229 R C 0.689 176.767 176.300 -0.371 0.000 1.089 229 R CA 0.322 56.106 56.100 -0.525 0.000 1.177 229 R CB 1.249 30.906 30.300 -1.072 0.000 1.091 229 R HN 0.676 nan 8.270 nan 0.000 0.540 230 V N -1.035 118.768 119.914 -0.186 0.000 3.074 230 V HA 0.341 4.461 4.120 0.001 0.000 0.314 230 V C 1.143 177.283 176.094 0.078 0.000 1.117 230 V CA -1.022 61.246 62.300 -0.054 0.000 1.014 230 V CB 1.531 33.213 31.823 -0.236 0.000 1.057 230 V HN 1.104 nan 8.190 nan 0.000 0.438 231 W N 0.784 121.932 121.300 -0.253 0.000 2.392 231 W HA -0.045 4.615 4.660 0.001 0.000 0.279 231 W C 1.540 177.982 176.519 -0.128 0.000 1.225 231 W CA 1.067 58.112 57.345 -0.501 0.000 1.233 231 W CB -0.661 27.966 29.460 -1.390 0.000 1.122 231 W HN 0.666 nan 8.180 nan 0.000 0.561 232 R N 0.826 120.824 120.500 -0.837 0.000 2.189 232 R HA -0.068 4.272 4.340 0.001 0.000 0.223 232 R C -0.051 176.213 176.300 -0.060 0.000 1.092 232 R CA 0.895 56.628 56.100 -0.611 0.000 0.989 232 R CB -0.482 29.301 30.300 -0.861 0.000 0.876 232 R HN -0.045 nan 8.270 nan 0.000 0.457 233 D N 0.612 121.029 120.400 0.029 0.000 2.349 233 D HA 0.085 4.725 4.640 0.001 0.000 0.266 233 D C 1.052 177.511 176.300 0.266 0.000 1.293 233 D CA 0.951 55.032 54.000 0.135 0.000 0.926 233 D CB 0.817 41.681 40.800 0.107 0.000 1.090 233 D HN 0.408 nan 8.370 nan 0.000 0.502 234 G N 2.741 111.663 108.800 0.203 0.000 2.157 234 G HA2 -0.292 3.668 3.960 0.001 0.000 0.248 234 G HA3 -0.292 3.668 3.960 0.001 0.000 0.248 234 G C 0.958 175.997 174.900 0.232 0.000 0.979 234 G CA 0.201 45.422 45.100 0.202 0.000 0.650 234 G HN 0.585 nan 8.290 nan 0.000 0.529 235 W N 1.149 122.507 121.300 0.096 0.000 2.379 235 W HA -0.033 4.627 4.660 0.001 0.000 0.307 235 W C 1.997 178.574 176.519 0.097 0.000 1.200 235 W CA 2.119 59.541 57.345 0.128 0.000 1.297 235 W CB -0.743 28.817 29.460 0.167 0.000 1.140 235 W HN 0.264 nan 8.180 nan 0.000 0.507 236 G N 0.922 109.868 108.800 0.244 0.000 2.446 236 G HA2 -0.341 3.620 3.960 0.001 0.000 0.217 236 G HA3 -0.341 3.620 3.960 0.001 0.000 0.217 236 G C 1.117 176.027 174.900 0.016 0.000 1.168 236 G CA 1.394 46.568 45.100 0.123 0.000 0.771 236 G HN 0.381 nan 8.290 nan 0.000 0.551 237 E N -0.386 119.831 120.200 0.029 0.000 2.358 237 E HA 0.137 4.488 4.350 0.001 0.000 0.195 237 E C 0.815 177.398 176.600 -0.029 0.000 1.010 237 E CA -0.395 56.010 56.400 0.008 0.000 0.856 237 E CB -0.017 29.704 29.700 0.034 0.000 0.795 237 E HN 0.331 nan 8.360 nan 0.000 0.504 238 L N 2.337 123.515 121.223 -0.075 0.000 2.499 238 L HA 0.129 4.469 4.340 0.001 0.000 0.273 238 L C -2.317 174.459 176.870 -0.156 0.000 1.195 238 L CA -1.835 52.931 54.840 -0.124 0.000 0.882 238 L CB 0.222 42.145 42.059 -0.227 0.000 1.133 238 L HN -0.124 nan 8.230 nan 0.000 0.483 239 P HA 0.146 nan 4.420 nan 0.000 0.271 239 P C -0.939 176.278 177.300 -0.138 0.000 1.218 239 P CA -0.412 62.638 63.100 -0.082 0.000 0.780 239 P CB 0.205 31.892 31.700 -0.022 0.000 0.901 240 T N -0.871 113.608 114.554 -0.125 0.000 2.940 240 T HA 0.120 4.470 4.350 0.001 0.000 0.309 240 T C 0.276 174.901 174.700 -0.126 0.000 1.056 240 T CA -0.438 61.572 62.100 -0.148 0.000 1.137 240 T CB -0.319 68.493 68.868 -0.094 0.000 0.976 240 T HN 0.183 nan 8.240 nan 0.000 0.547 241 S N 2.650 118.227 115.700 -0.204 0.000 3.681 241 S HA 0.304 4.774 4.470 0.001 0.000 0.203 241 S C 0.772 175.317 174.600 -0.093 0.000 1.408 241 S CA -1.020 57.032 58.200 -0.247 0.000 0.942 241 S CB -1.184 61.552 63.200 -0.774 0.000 1.437 241 S HN 0.824 nan 8.310 nan 0.000 0.482 242 C N 0.644 119.938 119.300 -0.009 0.000 1.664 242 C HA 0.576 5.036 4.460 0.001 0.000 0.147 242 C C 2.651 177.641 174.990 -0.000 0.000 2.948 242 C CA -0.053 58.961 59.018 -0.007 0.000 1.904 242 C CB -1.039 26.696 27.740 -0.008 0.000 2.561 242 C HN 0.616 nan 8.230 nan 0.000 0.278 243 G N 0.126 108.911 108.800 -0.025 0.000 2.469 243 G HA2 -0.053 3.907 3.960 0.001 0.000 0.219 243 G HA3 -0.053 3.907 3.960 0.001 0.000 0.219 243 G C 1.698 176.560 174.900 -0.064 0.000 1.150 243 G CA 1.475 46.522 45.100 -0.087 0.000 0.763 243 G HN 0.945 nan 8.290 nan 0.000 0.561 244 A N -0.219 122.647 122.820 0.078 0.000 1.898 244 A HA 0.032 4.353 4.320 0.001 0.000 0.216 244 A C 2.189 179.847 177.584 0.123 0.000 1.181 244 A CA 1.602 53.727 52.037 0.147 0.000 0.620 244 A CB -0.666 18.402 19.000 0.113 0.000 0.819 244 A HN 0.492 nan 8.150 nan 0.000 0.442 245 Y N 0.745 121.048 120.300 0.005 0.000 2.128 245 Y HA -0.227 4.323 4.550 0.001 0.000 0.284 245 Y C 2.297 178.200 175.900 0.005 0.000 1.154 245 Y CA 2.347 60.460 58.100 0.021 0.000 1.149 245 Y CB -0.138 38.325 38.460 0.005 0.000 0.976 245 Y HN 0.219 nan 8.280 nan 0.000 0.505 246 K N -0.974 119.482 120.400 0.094 0.000 2.097 246 K HA -0.208 4.112 4.320 0.001 0.000 0.206 246 K C 1.930 178.451 176.600 -0.132 0.000 1.049 246 K CA 1.428 57.672 56.287 -0.071 0.000 0.933 246 K CB -0.341 32.039 32.500 -0.200 0.000 0.717 246 K HN 0.474 nan 8.250 nan 0.000 0.442 247 H N 0.349 119.394 119.070 -0.041 0.000 2.321 247 H HA -0.086 4.471 4.556 0.000 0.000 0.300 247 H C 2.191 177.485 175.328 -0.056 0.000 1.087 247 H CA 1.331 57.352 56.048 -0.045 0.000 1.319 247 H CB -0.063 29.679 29.762 -0.033 0.000 1.379 247 H HN 0.153 nan 8.280 nan 0.000 0.501 248 R N 0.666 121.196 120.500 0.051 0.000 2.105 248 R HA -0.090 4.250 4.340 0.001 0.000 0.239 248 R C 2.289 178.610 176.300 0.034 0.000 1.135 248 R CA 1.180 57.272 56.100 -0.012 0.000 0.967 248 R CB -0.105 30.137 30.300 -0.097 0.000 0.861 248 R HN 0.257 nan 8.270 nan 0.000 0.442 249 A N -0.103 122.678 122.820 -0.066 0.000 2.015 249 A HA -0.100 4.220 4.320 0.001 0.000 0.219 249 A C 1.930 179.492 177.584 -0.038 0.000 1.163 249 A CA 1.677 53.666 52.037 -0.081 0.000 0.646 249 A CB -0.436 18.402 19.000 -0.270 0.000 0.806 249 A HN 0.586 nan 8.150 nan 0.000 0.448 250 T N -2.467 112.076 114.554 -0.019 0.000 3.107 250 T HA 0.145 4.496 4.350 0.001 0.000 0.249 250 T C 0.678 175.393 174.700 0.025 0.000 1.096 250 T CA 0.206 62.302 62.100 -0.006 0.000 1.012 250 T CB -0.259 68.604 68.868 -0.008 0.000 0.977 250 T HN 0.517 nan 8.240 nan 0.000 0.527 251 Q N 1.654 121.482 119.800 0.046 0.000 2.288 251 Q HA 0.380 4.720 4.340 0.001 0.000 0.258 251 Q C -0.122 175.910 176.000 0.054 0.000 0.957 251 Q CA -0.621 55.206 55.803 0.040 0.000 0.919 251 Q CB 0.753 29.505 28.738 0.024 0.000 1.185 251 Q HN 0.478 nan 8.270 nan 0.000 0.408 252 M N 5.025 124.647 119.600 0.037 0.000 2.261 252 M HA -0.114 4.366 4.480 0.001 0.000 0.350 252 M C -0.450 175.885 176.300 0.057 0.000 1.343 252 M CA 1.152 56.480 55.300 0.047 0.000 1.003 252 M CB 0.273 32.888 32.600 0.024 0.000 1.848 252 M HN 0.903 nan 8.290 nan 0.000 0.456 253 D N 1.841 122.300 120.400 0.098 0.000 3.059 253 D HA -0.242 4.398 4.640 0.001 0.000 0.220 253 D C 0.799 177.127 176.300 0.046 0.000 1.169 253 D CA 1.072 55.126 54.000 0.090 0.000 0.902 253 D CB -1.493 39.334 40.800 0.044 0.000 1.116 253 D HN 0.774 nan 8.370 nan 0.000 0.417 254 A N -0.930 121.937 122.820 0.079 0.000 2.015 254 A HA 0.132 4.452 4.320 0.001 0.000 0.219 254 A C 0.809 178.289 177.584 -0.173 0.000 1.163 254 A CA 0.851 52.867 52.037 -0.036 0.000 0.646 254 A CB 0.059 19.054 19.000 -0.008 0.000 0.806 254 A HN 0.185 nan 8.150 nan 0.000 0.448 255 F N -1.025 118.905 119.950 -0.033 0.000 2.523 255 F HA 0.556 5.083 4.527 0.000 0.000 0.329 255 F C 0.370 175.999 175.800 -0.285 0.000 1.061 255 F CA -0.639 57.325 58.000 -0.060 0.000 0.967 255 F CB 1.650 40.684 39.000 0.057 0.000 1.218 255 F HN 0.370 nan 8.300 nan 0.000 0.480 256 Q N -0.467 119.160 119.800 -0.288 0.000 2.590 256 Q HA 0.359 4.700 4.340 0.001 0.000 0.295 256 Q C -1.536 174.171 176.000 -0.488 0.000 0.973 256 Q CA -1.247 54.003 55.803 -0.922 0.000 0.768 256 Q CB 2.060 30.481 28.738 -0.528 0.000 1.479 256 Q HN 0.642 nan 8.270 nan 0.000 0.419 257 E N 1.247 121.180 120.200 -0.445 0.000 2.324 257 E HA 0.099 4.449 4.350 0.001 0.000 0.271 257 E C -0.782 175.852 176.600 0.057 0.000 1.028 257 E CA -0.410 56.035 56.400 0.076 0.000 0.890 257 E CB 0.664 30.512 29.700 0.246 0.000 1.004 257 E HN 0.280 nan 8.360 nan 0.000 0.431 258 R N 3.423 124.007 120.500 0.141 0.000 2.407 258 R HA 0.127 4.467 4.340 0.001 0.000 0.303 258 R C 1.110 177.441 176.300 0.052 0.000 0.981 258 R CA -0.319 55.833 56.100 0.087 0.000 0.905 258 R CB 1.346 31.710 30.300 0.107 0.000 1.099 258 R HN 0.572 nan 8.270 nan 0.000 0.459 259 V N 0.056 119.970 119.914 0.000 0.000 2.237 259 V HA -0.101 4.019 4.120 0.001 0.000 0.245 259 V C 0.759 176.831 176.094 -0.037 0.000 1.046 259 V CA 1.280 63.551 62.300 -0.048 0.000 1.007 259 V CB -0.337 31.468 31.823 -0.030 0.000 0.638 259 V HN 0.496 nan 8.190 nan 0.000 0.445 260 S N 2.476 118.187 115.700 0.018 0.000 2.406 260 S HA 0.517 4.987 4.470 0.001 0.000 0.224 260 S C -2.465 172.203 174.600 0.113 0.000 1.426 260 S CA -0.776 57.455 58.200 0.051 0.000 1.179 260 S CB 1.073 64.294 63.200 0.035 0.000 1.042 260 S HN 0.543 nan 8.310 nan 0.000 0.479 261 P HA 0.357 nan 4.420 nan 0.000 0.279 261 P C -0.298 177.199 177.300 0.328 0.000 1.239 261 P CA -0.317 62.930 63.100 0.245 0.000 0.789 261 P CB 1.083 32.971 31.700 0.313 0.000 0.933 262 E N 0.374 120.733 120.200 0.265 0.000 2.285 262 E HA 0.181 4.531 4.350 0.001 0.000 0.254 262 E C 0.939 177.663 176.600 0.208 0.000 1.011 262 E CA -0.952 55.638 56.400 0.317 0.000 0.873 262 E CB 0.890 30.719 29.700 0.215 0.000 1.229 262 E HN 0.162 nan 8.360 nan 0.000 0.422 263 L N 1.230 122.565 121.223 0.188 0.000 2.051 263 L HA -0.128 4.212 4.340 0.001 0.000 0.214 263 L C 1.869 178.782 176.870 0.072 0.000 1.076 263 L CA 2.466 57.300 54.840 -0.010 0.000 0.758 263 L CB -0.787 41.371 42.059 0.165 0.000 0.890 263 L HN 0.742 nan 8.230 nan 0.000 0.433 264 G N -1.813 107.068 108.800 0.134 0.000 2.559 264 G HA2 -0.188 3.772 3.960 0.001 0.000 0.216 264 G HA3 -0.188 3.772 3.960 0.001 0.000 0.216 264 G C 1.092 176.159 174.900 0.279 0.000 1.126 264 G CA 0.703 45.919 45.100 0.193 0.000 0.778 264 G HN 0.453 nan 8.290 nan 0.000 0.543 265 D N -0.092 120.441 120.400 0.223 0.000 2.350 265 D HA 0.043 4.684 4.640 0.001 0.000 0.213 265 D C 1.604 178.052 176.300 0.247 0.000 1.031 265 D CA 0.672 54.855 54.000 0.305 0.000 0.861 265 D CB 0.540 41.469 40.800 0.216 0.000 0.926 265 D HN 0.435 nan 8.370 nan 0.000 0.520 266 T N -2.726 111.897 114.554 0.116 0.000 2.937 266 T HA 0.378 4.728 4.350 0.001 0.000 0.283 266 T C 1.533 176.200 174.700 -0.054 0.000 1.012 266 T CA -0.715 61.370 62.100 -0.025 0.000 0.997 266 T CB 1.349 70.114 68.868 -0.170 0.000 1.136 266 T HN -0.185 nan 8.240 nan 0.000 0.551 267 L N -0.315 120.777 121.223 -0.218 0.000 2.191 267 L HA 0.028 4.368 4.340 0.001 0.000 0.212 267 L C 2.229 179.077 176.870 -0.037 0.000 1.103 267 L CA 1.117 55.834 54.840 -0.205 0.000 0.769 267 L CB -0.671 41.199 42.059 -0.314 0.000 0.908 267 L HN 0.590 nan 8.230 nan 0.000 0.438 268 F N 0.128 120.176 119.950 0.164 0.000 2.171 268 F HA -0.183 4.344 4.527 0.001 0.000 0.300 268 F C 2.611 178.625 175.800 0.356 0.000 1.090 268 F CA 0.918 59.103 58.000 0.309 0.000 1.293 268 F CB -1.114 38.041 39.000 0.257 0.000 1.013 268 F HN 0.022 nan 8.300 nan 0.000 0.486 269 A N 0.878 123.884 122.820 0.309 0.000 1.948 269 A HA -0.192 4.128 4.320 0.001 0.000 0.220 269 A C 2.141 179.561 177.584 -0.274 0.000 1.177 269 A CA 1.987 54.059 52.037 0.059 0.000 0.636 269 A CB -1.302 17.780 19.000 0.137 0.000 0.815 269 A HN 0.477 nan 8.150 nan 0.000 0.449 270 L N -4.100 116.927 121.223 -0.326 0.000 2.362 270 L HA 0.085 4.425 4.340 0.001 0.000 0.219 270 L C 1.784 178.354 176.870 -0.500 0.000 1.134 270 L CA 1.543 56.019 54.840 -0.606 0.000 0.807 270 L CB -1.044 40.783 42.059 -0.387 0.000 0.927 270 L HN 0.148 nan 8.230 nan 0.000 0.447 271 F N 0.304 120.204 119.950 -0.084 0.000 2.661 271 F HA 0.152 4.680 4.527 0.001 0.000 0.298 271 F C 1.657 177.501 175.800 0.073 0.000 1.137 271 F CA 0.348 58.339 58.000 -0.014 0.000 1.454 271 F CB -0.295 38.729 39.000 0.039 0.000 1.103 271 F HN 0.014 nan 8.300 nan 0.000 0.577 272 K N 2.004 122.425 120.400 0.034 0.000 2.278 272 K HA 0.135 4.455 4.320 0.001 0.000 0.237 272 K C -0.634 175.873 176.600 -0.155 0.000 1.229 272 K CA 0.041 56.216 56.287 -0.186 0.000 1.155 272 K CB -0.539 31.477 32.500 -0.806 0.000 1.590 272 K HN 0.075 nan 8.250 nan 0.000 0.290 273 T N -0.703 113.821 114.554 -0.050 0.000 2.907 273 T HA 0.163 4.514 4.350 0.001 0.000 0.292 273 T C 0.962 175.658 174.700 -0.007 0.000 1.043 273 T CA -1.015 61.056 62.100 -0.047 0.000 1.003 273 T CB 1.775 70.624 68.868 -0.032 0.000 1.084 273 T HN 0.188 nan 8.240 nan 0.000 0.483 274 Q N 0.934 120.731 119.800 -0.005 0.000 2.152 274 Q HA -0.217 4.123 4.340 0.001 0.000 0.206 274 Q C 1.945 177.956 176.000 0.018 0.000 0.985 274 Q CA 1.806 57.616 55.803 0.012 0.000 0.863 274 Q CB -0.353 28.389 28.738 0.008 0.000 0.904 274 Q HN 0.930 nan 8.270 nan 0.000 0.422 275 E N 0.137 120.339 120.200 0.004 0.000 2.284 275 E HA -0.168 4.182 4.350 0.001 0.000 0.200 275 E C 1.266 177.852 176.600 -0.023 0.000 1.008 275 E CA 0.765 57.162 56.400 -0.006 0.000 0.829 275 E CB 0.061 29.748 29.700 -0.020 0.000 0.744 275 E HN 0.309 nan 8.360 nan 0.000 0.491 276 L N 0.295 121.502 121.223 -0.028 0.000 2.766 276 L HA 0.276 4.617 4.340 0.001 0.000 0.242 276 L C 0.035 176.999 176.870 0.156 0.000 1.136 276 L CA -0.331 54.485 54.840 -0.040 0.000 0.933 276 L CB 0.346 42.302 42.059 -0.172 0.000 1.241 276 L HN 0.013 nan 8.230 nan 0.000 0.522 277 L N -0.259 121.031 121.223 0.113 0.000 2.334 277 L HA 0.394 4.734 4.340 0.001 0.000 0.270 277 L C -0.180 176.740 176.870 0.084 0.000 1.018 277 L CA -1.065 53.846 54.840 0.118 0.000 0.811 277 L CB 1.137 43.257 42.059 0.102 0.000 1.271 277 L HN 0.011 nan 8.230 nan 0.000 0.443 278 D N -0.779 119.663 120.400 0.070 0.000 2.447 278 D HA 0.018 4.658 4.640 0.001 0.000 0.265 278 D C 0.446 176.768 176.300 0.037 0.000 1.250 278 D CA -0.375 53.650 54.000 0.042 0.000 1.046 278 D CB 0.370 41.186 40.800 0.026 0.000 1.095 278 D HN 0.658 nan 8.370 nan 0.000 0.555 279 D N -0.498 119.917 120.400 0.025 0.000 2.133 279 D HA -0.228 4.412 4.640 0.001 0.000 0.195 279 D C 1.580 177.895 176.300 0.025 0.000 0.997 279 D CA 1.171 55.184 54.000 0.022 0.000 0.840 279 D CB -0.326 40.483 40.800 0.015 0.000 0.947 279 D HN 0.291 nan 8.370 nan 0.000 0.452 280 R N -0.455 120.062 120.500 0.028 0.000 2.339 280 R HA 0.200 4.541 4.340 0.001 0.000 0.199 280 R C 1.248 177.574 176.300 0.043 0.000 1.018 280 R CA 0.583 56.702 56.100 0.031 0.000 1.036 280 R CB -0.113 30.204 30.300 0.030 0.000 0.899 280 R HN 0.406 nan 8.270 nan 0.000 0.473 281 G N 0.008 108.838 108.800 0.050 0.000 2.143 281 G HA2 -0.253 3.707 3.960 0.001 0.000 0.249 281 G HA3 -0.253 3.707 3.960 0.001 0.000 0.249 281 G C 0.084 175.047 174.900 0.105 0.000 0.981 281 G CA 0.090 45.228 45.100 0.063 0.000 0.665 281 G HN 0.160 nan 8.290 nan 0.000 0.528 282 V N 1.606 121.585 119.914 0.109 0.000 2.465 282 V HA 0.507 4.627 4.120 0.001 0.000 0.279 282 V C 1.291 177.485 176.094 0.166 0.000 1.045 282 V CA -0.623 61.767 62.300 0.150 0.000 0.938 282 V CB 1.717 33.603 31.823 0.104 0.000 0.986 282 V HN 0.451 nan 8.190 nan 0.000 0.467 283 I N 5.204 125.925 120.570 0.252 0.000 2.752 283 I HA 0.044 4.215 4.170 0.001 0.000 0.289 283 I C 0.276 176.450 176.117 0.095 0.000 1.197 283 I CA 0.110 61.540 61.300 0.217 0.000 1.432 283 I CB 0.267 38.411 38.000 0.240 0.000 1.359 283 I HN 0.497 nan 8.210 nan 0.000 0.571 284 L N 7.880 129.145 121.223 0.070 0.000 2.483 284 L HA 0.039 4.379 4.340 0.001 0.000 0.276 284 L C 1.485 178.225 176.870 -0.218 0.000 1.213 284 L CA -0.289 54.487 54.840 -0.106 0.000 0.843 284 L CB 0.156 42.071 42.059 -0.239 0.000 1.107 284 L HN 0.696 nan 8.230 nan 0.000 0.487 285 E N 1.701 121.705 120.200 -0.326 0.000 2.110 285 E HA -0.160 4.190 4.350 0.001 0.000 0.193 285 E C 1.961 178.028 176.600 -0.890 0.000 0.988 285 E CA 0.878 56.982 56.400 -0.493 0.000 0.804 285 E CB 0.012 29.421 29.700 -0.485 0.000 0.745 285 E HN 0.613 nan 8.360 nan 0.000 0.458 286 V N 1.587 120.963 119.914 -0.897 0.000 2.392 286 V HA -0.244 3.876 4.120 0.001 0.000 0.249 286 V C 2.043 177.890 176.094 -0.410 0.000 1.059 286 V CA 1.865 63.679 62.300 -0.810 0.000 1.051 286 V CB -0.355 31.089 31.823 -0.630 0.000 0.658 286 V HN 0.287 nan 8.190 nan 0.000 0.455 287 H N 0.108 119.020 119.070 -0.263 0.000 2.403 287 H HA 0.158 4.715 4.556 0.001 0.000 0.298 287 H C 2.336 177.484 175.328 -0.300 0.000 1.059 287 H CA 1.301 57.216 56.048 -0.222 0.000 1.363 287 H CB -0.715 28.948 29.762 -0.166 0.000 1.410 287 H HN 0.542 nan 8.280 nan 0.000 0.528 288 A N 1.144 123.871 122.820 -0.155 0.000 1.933 288 A HA -0.176 4.144 4.320 0.001 0.000 0.218 288 A C 1.953 179.593 177.584 0.093 0.000 1.175 288 A CA 1.262 53.227 52.037 -0.119 0.000 0.628 288 A CB -0.873 18.216 19.000 0.149 0.000 0.814 288 A HN 0.329 nan 8.150 nan 0.000 0.444 289 W N -0.276 120.984 121.300 -0.067 0.000 2.358 289 W HA -0.059 4.601 4.660 0.000 0.000 0.303 289 W C 2.804 179.258 176.519 -0.109 0.000 1.208 289 W CA 0.641 57.954 57.345 -0.055 0.000 1.274 289 W CB -1.319 28.111 29.460 -0.050 0.000 1.138 289 W HN 0.434 nan 8.180 nan 0.000 0.515 290 A N 0.090 122.948 122.820 0.064 0.000 1.908 290 A HA -0.170 4.150 4.320 0.001 0.000 0.218 290 A C 2.172 179.615 177.584 -0.235 0.000 1.181 290 A CA 1.729 53.716 52.037 -0.084 0.000 0.627 290 A CB -1.008 17.915 19.000 -0.128 0.000 0.818 290 A HN 0.261 nan 8.150 nan 0.000 0.445 291 L N -0.731 120.228 121.223 -0.441 0.000 2.109 291 L HA -0.151 4.189 4.340 0.001 0.000 0.207 291 L C 2.042 178.732 176.870 -0.300 0.000 1.086 291 L CA 1.204 55.636 54.840 -0.680 0.000 0.760 291 L CB -0.676 40.383 42.059 -1.667 0.000 0.910 291 L HN 0.294 nan 8.230 nan 0.000 0.437 292 D N 0.507 120.898 120.400 -0.014 0.000 2.104 292 D HA -0.177 4.463 4.640 0.001 0.000 0.194 292 D C 2.234 178.587 176.300 0.089 0.000 0.994 292 D CA 1.579 55.697 54.000 0.196 0.000 0.830 292 D CB -0.055 40.865 40.800 0.201 0.000 0.959 292 D HN 0.298 nan 8.370 nan 0.000 0.452 293 A N 0.747 123.584 122.820 0.030 0.000 1.877 293 A HA -0.150 4.170 4.320 0.001 0.000 0.216 293 A C 2.162 179.758 177.584 0.020 0.000 1.186 293 A CA 1.166 53.210 52.037 0.011 0.000 0.620 293 A CB -0.787 18.208 19.000 -0.008 0.000 0.822 293 A HN 0.251 nan 8.150 nan 0.000 0.443 294 L N -0.613 120.611 121.223 0.001 0.000 2.012 294 L HA -0.163 4.177 4.340 0.001 0.000 0.210 294 L C 2.498 179.444 176.870 0.128 0.000 1.073 294 L CA 2.672 57.525 54.840 0.021 0.000 0.748 294 L CB -0.562 41.471 42.059 -0.042 0.000 0.891 294 L HN 0.547 nan 8.230 nan 0.000 0.431 295 M N -1.288 118.469 119.600 0.261 0.000 2.073 295 M HA -0.257 4.224 4.480 0.001 0.000 0.258 295 M C 2.203 178.612 176.300 0.182 0.000 1.070 295 M CA 2.399 57.905 55.300 0.343 0.000 1.103 295 M CB -0.294 32.524 32.600 0.363 0.000 1.321 295 M HN 0.420 nan 8.290 nan 0.000 0.405 296 L N 0.360 121.653 121.223 0.116 0.000 2.131 296 L HA -0.162 4.178 4.340 0.001 0.000 0.210 296 L C 1.962 178.865 176.870 0.055 0.000 1.092 296 L CA 1.832 56.715 54.840 0.071 0.000 0.759 296 L CB -0.405 41.678 42.059 0.042 0.000 0.903 296 L HN 0.226 nan 8.230 nan 0.000 0.435 297 K N -0.785 119.644 120.400 0.048 0.000 2.288 297 K HA 0.013 4.333 4.320 0.001 0.000 0.201 297 K C 1.760 178.372 176.600 0.020 0.000 1.048 297 K CA 1.006 57.311 56.287 0.030 0.000 0.956 297 K CB -0.026 32.481 32.500 0.012 0.000 0.746 297 K HN 0.368 nan 8.250 nan 0.000 0.461 298 L N -0.375 120.862 121.223 0.023 0.000 2.554 298 L HA 0.094 4.435 4.340 0.001 0.000 0.225 298 L C 2.027 178.903 176.870 0.011 0.000 1.104 298 L CA -0.064 54.769 54.840 -0.011 0.000 0.866 298 L CB 0.039 42.096 42.059 -0.003 0.000 1.047 298 L HN -0.045 nan 8.230 nan 0.000 0.468 299 R N 0.967 121.493 120.500 0.044 0.000 2.091 299 R HA -0.105 4.235 4.340 0.001 0.000 0.238 299 R C 1.574 177.894 176.300 0.033 0.000 1.136 299 R CA 1.292 57.421 56.100 0.048 0.000 0.959 299 R CB -0.304 30.027 30.300 0.052 0.000 0.856 299 R HN 0.257 nan 8.270 nan 0.000 0.437 300 N N 0.204 118.924 118.700 0.033 0.000 2.421 300 N HA 0.012 4.753 4.740 0.001 0.000 0.201 300 N C -0.682 174.849 175.510 0.035 0.000 1.198 300 N CA 0.339 53.414 53.050 0.042 0.000 0.838 300 N CB 0.211 38.736 38.487 0.063 0.000 1.011 300 N HN 0.181 nan 8.380 nan 0.000 0.463 301 L N 1.056 122.279 121.223 -0.001 0.000 2.264 301 L HA 0.240 4.580 4.340 0.001 0.000 0.287 301 L C 0.503 177.369 176.870 -0.006 0.000 1.039 301 L CA -0.384 54.444 54.840 -0.018 0.000 0.829 301 L CB 0.849 42.831 42.059 -0.129 0.000 1.211 301 L HN -0.026 nan 8.230 nan 0.000 0.427 302 N N 2.749 121.477 118.700 0.046 0.000 2.401 302 N HA 0.197 4.938 4.740 0.001 0.000 0.255 302 N C -0.836 174.629 175.510 -0.075 0.000 1.110 302 N CA -0.335 52.717 53.050 0.003 0.000 0.949 302 N CB 1.260 39.833 38.487 0.144 0.000 1.110 302 N HN 0.284 nan 8.380 nan 0.000 0.490 303 V N 5.319 125.045 119.914 -0.314 0.000 2.481 303 V HA 0.584 4.704 4.120 0.001 0.000 0.286 303 V C -1.070 174.662 176.094 -0.603 0.000 1.042 303 V CA -0.058 62.072 62.300 -0.283 0.000 0.928 303 V CB 0.486 32.158 31.823 -0.251 0.000 0.986 303 V HN 0.542 nan 8.190 nan 0.000 0.462 304 F N 3.112 123.096 119.950 0.057 0.000 2.643 304 F HA 0.731 5.259 4.527 0.000 0.000 0.314 304 F C 0.109 175.958 175.800 0.081 0.000 1.096 304 F CA -0.559 57.496 58.000 0.092 0.000 0.953 304 F CB 2.273 41.324 39.000 0.084 0.000 1.345 304 F HN 0.527 nan 8.300 nan 0.000 0.468 305 S N 0.662 116.543 115.700 0.303 0.000 2.568 305 S HA 0.959 5.429 4.470 0.001 0.000 0.293 305 S C -1.255 173.450 174.600 0.175 0.000 1.089 305 S CA -0.689 57.635 58.200 0.206 0.000 0.945 305 S CB 1.943 65.264 63.200 0.202 0.000 1.077 305 S HN 1.175 nan 8.310 nan 0.000 0.485 306 A N 1.491 124.379 122.820 0.114 0.000 2.375 306 A HA 0.632 4.952 4.320 0.001 0.000 0.295 306 A C -0.932 176.683 177.584 0.052 0.000 1.066 306 A CA -0.681 51.404 52.037 0.081 0.000 0.722 306 A CB 0.982 20.018 19.000 0.060 0.000 1.206 306 A HN 0.948 nan 8.150 nan 0.000 0.435 307 D N 1.976 122.409 120.400 0.055 0.000 2.350 307 D HA 0.375 5.015 4.640 0.001 0.000 0.249 307 D C 0.205 176.515 176.300 0.018 0.000 1.119 307 D CA 0.015 54.038 54.000 0.039 0.000 0.886 307 D CB 0.513 41.344 40.800 0.052 0.000 1.195 307 D HN 0.386 nan 8.370 nan 0.000 0.437 308 L N 3.440 124.662 121.223 -0.001 0.000 3.062 308 L HA 0.132 4.473 4.340 0.001 0.000 0.255 308 L C 1.566 178.433 176.870 -0.005 0.000 1.274 308 L CA -0.220 54.614 54.840 -0.010 0.000 1.047 308 L CB -0.063 41.978 42.059 -0.031 0.000 1.402 308 L HN 0.468 nan 8.230 nan 0.000 0.550 309 S N -1.240 114.464 115.700 0.006 0.000 2.453 309 S HA 0.010 4.481 4.470 0.001 0.000 0.231 309 S C 1.304 175.910 174.600 0.010 0.000 1.005 309 S CA 0.381 58.588 58.200 0.011 0.000 0.949 309 S CB -0.155 63.057 63.200 0.019 0.000 0.774 309 S HN 0.381 nan 8.310 nan 0.000 0.510 310 G N 1.857 110.662 108.800 0.008 0.000 2.570 310 G HA2 0.404 4.365 3.960 0.001 0.000 0.276 310 G HA3 0.404 4.365 3.960 0.001 0.000 0.276 310 G C 0.214 175.116 174.900 0.003 0.000 1.346 310 G CA 0.002 45.106 45.100 0.006 0.000 1.034 310 G HN 0.532 nan 8.290 nan 0.000 0.512 311 T N -1.679 112.876 114.554 0.001 0.000 2.813 311 T HA 0.258 4.608 4.350 0.001 0.000 0.297 311 T C -1.460 173.236 174.700 -0.007 0.000 1.036 311 T CA -0.824 61.275 62.100 -0.002 0.000 1.044 311 T CB 1.320 70.186 68.868 -0.002 0.000 0.993 311 T HN 0.161 nan 8.240 nan 0.000 0.535 312 P HA -0.143 nan 4.420 nan 0.000 0.216 312 P C 1.719 179.005 177.300 -0.023 0.000 1.153 312 P CA 1.116 64.205 63.100 -0.019 0.000 0.858 312 P CB -0.016 31.669 31.700 -0.024 0.000 0.789 313 R N 0.037 120.525 120.500 -0.019 0.000 2.083 313 R HA -0.190 4.151 4.340 0.001 0.000 0.237 313 R C 2.295 178.586 176.300 -0.015 0.000 1.137 313 R CA 1.761 57.850 56.100 -0.019 0.000 0.951 313 R CB -0.527 29.764 30.300 -0.015 0.000 0.851 313 R HN 0.237 nan 8.270 nan 0.000 0.434 314 Q N -0.509 119.286 119.800 -0.010 0.000 2.084 314 Q HA -0.185 4.155 4.340 0.001 0.000 0.202 314 Q C 2.402 178.398 176.000 -0.006 0.000 0.978 314 Q CA 1.723 57.523 55.803 -0.005 0.000 0.844 314 Q CB -0.074 28.663 28.738 -0.001 0.000 0.898 314 Q HN 0.470 nan 8.270 nan 0.000 0.426 315 C N 0.185 119.480 119.300 -0.008 0.000 2.432 315 C HA -0.117 4.343 4.460 0.001 0.000 0.277 315 C C 2.886 177.869 174.990 -0.011 0.000 1.249 315 C CA 0.732 59.746 59.018 -0.007 0.000 1.725 315 C CB -1.195 26.539 27.740 -0.010 0.000 2.028 315 C HN 0.629 nan 8.230 nan 0.000 0.477 316 A N 0.594 123.402 122.820 -0.020 0.000 1.908 316 A HA -0.014 4.306 4.320 0.001 0.000 0.218 316 A C 2.341 179.913 177.584 -0.020 0.000 1.181 316 A CA 2.254 54.276 52.037 -0.025 0.000 0.627 316 A CB -0.858 18.121 19.000 -0.035 0.000 0.818 316 A HN 0.604 nan 8.150 nan 0.000 0.445 317 A N -0.799 122.011 122.820 -0.016 0.000 1.930 317 A HA 0.086 4.406 4.320 0.001 0.000 0.217 317 A C 2.214 179.790 177.584 -0.013 0.000 1.175 317 A CA 1.539 53.568 52.037 -0.015 0.000 0.627 317 A CB -0.790 18.204 19.000 -0.010 0.000 0.815 317 A HN 0.352 nan 8.150 nan 0.000 0.443 318 V N -0.222 119.687 119.914 -0.008 0.000 2.295 318 V HA -0.243 3.877 4.120 0.001 0.000 0.246 318 V C 2.603 178.689 176.094 -0.013 0.000 1.049 318 V CA 2.139 64.438 62.300 -0.002 0.000 1.024 318 V CB -0.758 31.071 31.823 0.009 0.000 0.648 318 V HN 0.386 nan 8.190 nan 0.000 0.447 319 V N -0.146 119.758 119.914 -0.016 0.000 2.295 319 V HA -0.283 3.837 4.120 0.001 0.000 0.246 319 V C 2.444 178.501 176.094 -0.061 0.000 1.049 319 V CA 2.298 64.578 62.300 -0.032 0.000 1.024 319 V CB -0.676 31.139 31.823 -0.013 0.000 0.648 319 V HN 0.621 nan 8.190 nan 0.000 0.447 320 E N 1.119 121.293 120.200 -0.044 0.000 2.160 320 E HA -0.214 4.136 4.350 0.001 0.000 0.195 320 E C 2.163 178.729 176.600 -0.058 0.000 0.991 320 E CA 1.426 57.797 56.400 -0.049 0.000 0.810 320 E CB -0.262 29.418 29.700 -0.033 0.000 0.742 320 E HN 0.734 nan 8.360 nan 0.000 0.466 321 S N -0.423 115.249 115.700 -0.047 0.000 2.547 321 S HA -0.051 4.419 4.470 0.001 0.000 0.235 321 S C 1.684 176.244 174.600 -0.066 0.000 0.980 321 S CA 0.427 58.603 58.200 -0.041 0.000 0.941 321 S CB -0.301 62.888 63.200 -0.019 0.000 0.763 321 S HN 0.331 nan 8.310 nan 0.000 0.532 322 L N 0.414 121.562 121.223 -0.125 0.000 2.492 322 L HA 0.196 4.537 4.340 0.001 0.000 0.223 322 L C 2.222 178.934 176.870 -0.263 0.000 1.132 322 L CA 0.242 54.936 54.840 -0.244 0.000 0.850 322 L CB -0.491 41.293 42.059 -0.458 0.000 0.966 322 L HN 0.312 nan 8.230 nan 0.000 0.454 323 L N 0.382 121.507 121.223 -0.162 0.000 2.079 323 L HA -0.172 4.169 4.340 0.001 0.000 0.210 323 L C -0.195 176.631 176.870 -0.073 0.000 1.081 323 L CA 1.474 56.242 54.840 -0.122 0.000 0.752 323 L CB -1.487 40.531 42.059 -0.069 0.000 0.896 323 L HN 0.255 nan 8.230 nan 0.000 0.433 324 P HA -0.136 nan 4.420 nan 0.000 0.225 324 P C 1.447 178.762 177.300 0.026 0.000 1.148 324 P CA 1.207 64.305 63.100 -0.004 0.000 0.779 324 P CB 0.127 31.829 31.700 0.004 0.000 0.780 325 L N -3.330 117.907 121.223 0.024 0.000 2.616 325 L HA 0.195 4.535 4.340 0.001 0.000 0.229 325 L C 1.169 178.176 176.870 0.229 0.000 1.110 325 L CA -0.069 54.859 54.840 0.148 0.000 0.884 325 L CB -0.266 41.961 42.059 0.279 0.000 1.115 325 L HN -0.000 nan 8.230 nan 0.000 0.481 326 M N -0.378 119.260 119.600 0.063 0.000 2.255 326 M HA 0.163 4.643 4.480 0.001 0.000 0.336 326 M C 0.438 176.803 176.300 0.108 0.000 1.135 326 M CA 0.008 55.370 55.300 0.102 0.000 1.145 326 M CB 1.323 33.878 32.600 -0.075 0.000 1.473 326 M HN -0.059 nan 8.290 nan 0.000 0.462 327 S N 1.223 117.002 115.700 0.131 0.000 2.564 327 S HA 0.320 4.790 4.470 0.001 0.000 0.278 327 S C -0.202 174.426 174.600 0.045 0.000 1.333 327 S CA -0.770 57.481 58.200 0.086 0.000 1.048 327 S CB 0.441 63.696 63.200 0.092 0.000 0.900 327 S HN 0.710 nan 8.310 nan 0.000 0.505 328 S N 1.337 117.058 115.700 0.036 0.000 2.600 328 S HA 0.837 5.307 4.470 0.001 0.000 0.300 328 S C -0.310 174.306 174.600 0.028 0.000 1.087 328 S CA -0.948 57.264 58.200 0.022 0.000 0.965 328 S CB 1.627 64.840 63.200 0.022 0.000 1.089 328 S HN 0.720 nan 8.310 nan 0.000 0.496 329 T N -0.790 113.782 114.554 0.030 0.000 2.940 329 T HA 0.695 5.046 4.350 0.001 0.000 0.288 329 T C -0.614 174.116 174.700 0.050 0.000 1.045 329 T CA -1.071 61.057 62.100 0.047 0.000 1.018 329 T CB 0.662 69.574 68.868 0.073 0.000 1.151 329 T HN 0.606 nan 8.240 nan 0.000 0.529 330 L N 1.990 123.242 121.223 0.049 0.000 2.276 330 L HA 0.574 4.915 4.340 0.001 0.000 0.286 330 L C 0.451 177.351 176.870 0.051 0.000 1.024 330 L CA -0.626 54.238 54.840 0.040 0.000 0.826 330 L CB 1.330 43.403 42.059 0.023 0.000 1.211 330 L HN 0.803 nan 8.230 nan 0.000 0.422 331 S N 1.598 117.333 115.700 0.059 0.000 2.721 331 S HA 0.639 5.109 4.470 0.001 0.000 0.296 331 S C -1.155 173.479 174.600 0.057 0.000 1.093 331 S CA -0.478 57.760 58.200 0.063 0.000 0.959 331 S CB 1.511 64.762 63.200 0.085 0.000 1.301 331 S HN 0.776 nan 8.310 nan 0.000 0.550 332 D N -0.966 119.476 120.400 0.070 0.000 2.592 332 D HA 0.283 4.923 4.640 0.001 0.000 0.263 332 D C 0.301 176.698 176.300 0.163 0.000 1.132 332 D CA -0.694 53.373 54.000 0.111 0.000 0.996 332 D CB -0.281 40.577 40.800 0.097 0.000 1.442 332 D HN 0.355 nan 8.370 nan 0.000 0.486 333 F N 0.666 120.672 119.950 0.093 0.000 2.171 333 F HA -0.112 4.415 4.527 0.001 0.000 0.300 333 F C 1.420 177.255 175.800 0.058 0.000 1.090 333 F CA 1.691 59.748 58.000 0.096 0.000 1.293 333 F CB -0.018 39.053 39.000 0.119 0.000 1.013 333 F HN 0.216 nan 8.300 nan 0.000 0.486 334 D N -0.435 120.025 120.400 0.099 0.000 2.117 334 D HA -0.137 4.503 4.640 0.001 0.000 0.198 334 D C 2.466 178.717 176.300 -0.081 0.000 0.982 334 D CA 1.635 55.627 54.000 -0.012 0.000 0.828 334 D CB -0.440 40.398 40.800 0.063 0.000 0.967 334 D HN 0.253 nan 8.370 nan 0.000 0.464 335 S N 0.690 116.365 115.700 -0.042 0.000 2.368 335 S HA -0.082 4.388 4.470 0.001 0.000 0.224 335 S C 2.145 176.705 174.600 -0.067 0.000 1.029 335 S CA 0.984 59.150 58.200 -0.057 0.000 0.988 335 S CB -0.211 62.968 63.200 -0.035 0.000 0.838 335 S HN 0.352 nan 8.310 nan 0.000 0.462 336 A N 1.704 124.482 122.820 -0.071 0.000 1.908 336 A HA -0.097 4.224 4.320 0.001 0.000 0.218 336 A C 2.335 179.824 177.584 -0.159 0.000 1.181 336 A CA 1.905 53.895 52.037 -0.077 0.000 0.627 336 A CB -0.953 18.010 19.000 -0.062 0.000 0.818 336 A HN 0.440 nan 8.150 nan 0.000 0.445 337 S N -0.118 115.392 115.700 -0.316 0.000 2.368 337 S HA -0.069 4.401 4.470 0.001 0.000 0.225 337 S C 2.287 176.806 174.600 -0.135 0.000 1.030 337 S CA 1.219 59.233 58.200 -0.310 0.000 0.999 337 S CB -0.479 62.452 63.200 -0.449 0.000 0.844 337 S HN 0.815 nan 8.310 nan 0.000 0.459 338 A N 1.181 123.944 122.820 -0.096 0.000 1.933 338 A HA 0.009 4.330 4.320 0.001 0.000 0.218 338 A C 2.101 179.702 177.584 0.028 0.000 1.175 338 A CA 1.066 53.087 52.037 -0.026 0.000 0.628 338 A CB -0.638 18.334 19.000 -0.047 0.000 0.814 338 A HN 0.450 nan 8.150 nan 0.000 0.444 339 L N -0.943 120.293 121.223 0.021 0.000 2.056 339 L HA -0.188 4.152 4.340 0.001 0.000 0.207 339 L C 2.611 179.548 176.870 0.111 0.000 1.078 339 L CA 1.754 56.669 54.840 0.125 0.000 0.749 339 L CB -0.407 41.742 42.059 0.150 0.000 0.901 339 L HN 0.585 nan 8.230 nan 0.000 0.433 340 E N 0.516 120.721 120.200 0.008 0.000 2.058 340 E HA -0.238 4.112 4.350 0.001 0.000 0.194 340 E C 2.296 178.873 176.600 -0.038 0.000 0.997 340 E CA 1.402 57.774 56.400 -0.046 0.000 0.801 340 E CB 0.004 29.663 29.700 -0.069 0.000 0.746 340 E HN 0.229 nan 8.360 nan 0.000 0.450 341 R N -0.064 120.433 120.500 -0.006 0.000 2.081 341 R HA -0.091 4.250 4.340 0.001 0.000 0.235 341 R C 2.443 178.775 176.300 0.053 0.000 1.131 341 R CA 1.133 57.242 56.100 0.015 0.000 0.960 341 R CB -0.445 29.869 30.300 0.025 0.000 0.856 341 R HN 0.289 nan 8.270 nan 0.000 0.436 342 A N 1.314 124.212 122.820 0.131 0.000 1.877 342 A HA -0.138 4.182 4.320 0.001 0.000 0.216 342 A C 2.393 180.080 177.584 0.172 0.000 1.186 342 A CA 1.758 53.937 52.037 0.238 0.000 0.620 342 A CB -0.687 18.574 19.000 0.435 0.000 0.822 342 A HN 0.401 nan 8.150 nan 0.000 0.443 343 A N -0.385 122.382 122.820 -0.088 0.000 1.877 343 A HA -0.178 4.143 4.320 0.001 0.000 0.216 343 A C 2.275 179.721 177.584 -0.230 0.000 1.186 343 A CA 1.541 53.228 52.037 -0.584 0.000 0.620 343 A CB -0.503 17.960 19.000 -0.894 0.000 0.822 343 A HN 0.525 nan 8.150 nan 0.000 0.443 344 R N -1.104 119.322 120.500 -0.123 0.000 2.081 344 R HA -0.098 4.242 4.340 0.001 0.000 0.235 344 R C 2.305 178.590 176.300 -0.025 0.000 1.131 344 R CA 1.834 57.893 56.100 -0.068 0.000 0.960 344 R CB -0.850 29.421 30.300 -0.049 0.000 0.856 344 R HN 0.535 nan 8.270 nan 0.000 0.436 345 T N 0.751 115.314 114.554 0.015 0.000 2.708 345 T HA -0.143 4.207 4.350 0.001 0.000 0.266 345 T C 1.458 176.205 174.700 0.079 0.000 1.037 345 T CA 1.249 63.372 62.100 0.039 0.000 1.146 345 T CB -0.280 68.620 68.868 0.052 0.000 0.865 345 T HN 0.175 nan 8.240 nan 0.000 0.435 346 F N 1.979 121.904 119.950 -0.042 0.000 2.146 346 F HA -0.069 4.458 4.527 0.001 0.000 0.298 346 F C 2.446 178.199 175.800 -0.077 0.000 1.096 346 F CA 0.886 58.867 58.000 -0.032 0.000 1.275 346 F CB -0.107 38.939 39.000 0.076 0.000 1.008 346 F HN 0.112 nan 8.300 nan 0.000 0.480 347 N N 0.430 119.141 118.700 0.019 0.000 2.084 347 N HA -0.200 4.540 4.740 0.001 0.000 0.190 347 N C 1.940 177.395 175.510 -0.091 0.000 1.030 347 N CA 1.390 54.404 53.050 -0.060 0.000 0.849 347 N CB -0.428 38.030 38.487 -0.048 0.000 1.012 347 N HN 0.361 nan 8.380 nan 0.000 0.423 348 A N 1.671 124.448 122.820 -0.073 0.000 1.855 348 A HA -0.124 4.197 4.320 0.001 0.000 0.215 348 A C 2.017 179.536 177.584 -0.108 0.000 1.191 348 A CA 1.244 53.237 52.037 -0.074 0.000 0.613 348 A CB -0.467 18.502 19.000 -0.053 0.000 0.829 348 A HN 0.319 nan 8.150 nan 0.000 0.442 349 E N -0.769 119.353 120.200 -0.131 0.000 2.152 349 E HA -0.091 4.259 4.350 0.001 0.000 0.192 349 E C 1.597 178.052 176.600 -0.242 0.000 0.983 349 E CA 0.915 57.217 56.400 -0.164 0.000 0.818 349 E CB -0.166 29.453 29.700 -0.137 0.000 0.758 349 E HN 0.458 nan 8.360 nan 0.000 0.467 350 M N 0.474 119.862 119.600 -0.352 0.000 2.556 350 M HA 0.095 4.575 4.480 0.001 0.000 0.245 350 M C 1.140 177.292 176.300 -0.245 0.000 1.128 350 M CA 0.211 55.262 55.300 -0.415 0.000 1.069 350 M CB -0.627 31.524 32.600 -0.748 0.000 1.469 350 M HN -0.109 nan 8.290 nan 0.000 0.494 351 G N 0.997 109.694 108.800 -0.171 0.000 2.484 351 G HA2 0.267 4.227 3.960 0.001 0.000 0.235 351 G HA3 0.267 4.227 3.960 0.001 0.000 0.235 351 G C 0.486 175.338 174.900 -0.079 0.000 1.282 351 G CA -0.113 44.927 45.100 -0.099 0.000 0.857 351 G HN 0.261 nan 8.290 nan 0.000 0.571 352 V N 0.000 119.888 119.914 -0.043 0.000 2.409 352 V HA 0.000 4.120 4.120 0.001 0.000 0.244 352 V CA 0.000 62.286 62.300 -0.023 0.000 1.235 352 V CB 0.000 31.813 31.823 -0.017 0.000 1.184 352 V HN 0.000 nan 8.190 nan 0.000 0.556