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 3oa0_1_D DATA FIRST_RESID 1 DATA SEQUENCE MTRFALTGLA GYIAPRHLKA IKEVGGVLVA SLDPATNVGL VDSFFPEAEF DATA SEQUENCE FTEPEAFEAY LEDLRDRGEG VDYLSIASPN HLHYPQIRMA LRLGANALSE DATA SEQUENCE KPLVLWPEEI ARLKELEART GRRVYTVLQL RVHPSLLALK ERLGQEKGAK DATA SEQUENCE DVVLTYVTGR GKWYGKSWKV DEAKSGGLAT NIGIHFFDLL AWLFGRALHV DATA SEQUENCE EVHARTPTVN AGYLELEGAR VRWFLSIDPS FVPEPLRRQG KRTYRSIAVD DATA SEQUENCE GEEVEFSEGX XDLHTEVYRK TLAGEGFGLD EAAEAIRVAA LLRTLPLSQP DATA SEQUENCE SPENRHPFL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.350 176.300 0.083 0.000 1.140 1 M CA 0.000 55.350 55.300 0.083 0.000 0.988 1 M CB 0.000 32.657 32.600 0.094 0.000 1.302 2 T N 3.595 118.218 114.554 0.115 0.000 2.870 2 T HA 0.321 4.670 4.350 -0.000 0.000 0.300 2 T C -0.110 174.640 174.700 0.084 0.000 0.989 2 T CA -0.031 62.110 62.100 0.068 0.000 1.139 2 T CB 0.217 69.132 68.868 0.078 0.000 0.920 2 T HN 0.478 nan 8.240 nan 0.000 0.537 3 R N 2.119 122.588 120.500 -0.052 0.000 2.207 3 R HA 0.456 4.796 4.340 -0.000 0.000 0.334 3 R C -0.927 175.294 176.300 -0.132 0.000 1.013 3 R CA -0.332 55.758 56.100 -0.016 0.000 0.858 3 R CB 0.577 30.859 30.300 -0.030 0.000 1.094 3 R HN 0.476 nan 8.270 nan 0.000 0.457 4 F N 0.991 120.956 119.950 0.026 0.000 2.507 4 F HA 0.632 5.159 4.527 -0.000 0.000 0.327 4 F C 0.427 176.255 175.800 0.047 0.000 1.068 4 F CA -0.756 57.286 58.000 0.071 0.000 0.965 4 F CB 1.884 40.920 39.000 0.060 0.000 1.192 4 F HN 0.446 nan 8.300 nan 0.000 0.476 5 A N 2.295 125.275 122.820 0.268 0.000 2.356 5 A HA 0.874 5.194 4.320 -0.000 0.000 0.323 5 A C -1.898 175.880 177.584 0.322 0.000 1.119 5 A CA -0.679 51.521 52.037 0.272 0.000 0.790 5 A CB 1.612 20.720 19.000 0.179 0.000 1.273 5 A HN 0.727 nan 8.150 nan 0.000 0.452 6 L N 0.930 122.334 121.223 0.303 0.000 2.401 6 L HA 0.801 5.141 4.340 -0.000 0.000 0.266 6 L C 0.073 176.989 176.870 0.077 0.000 0.991 6 L CA 0.172 55.117 54.840 0.177 0.000 0.818 6 L CB 2.408 44.532 42.059 0.110 0.000 1.321 6 L HN 0.912 nan 8.230 nan 0.000 0.413 7 T N 0.212 114.751 114.554 -0.024 0.000 2.888 7 T HA 0.663 5.013 4.350 -0.000 0.000 0.284 7 T C 0.583 175.218 174.700 -0.109 0.000 1.017 7 T CA -0.099 61.912 62.100 -0.148 0.000 1.022 7 T CB 1.457 70.220 68.868 -0.174 0.000 1.013 7 T HN 1.783 nan 8.240 nan 0.000 0.465 8 G N 1.211 109.955 108.800 -0.092 0.000 2.160 8 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.244 8 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.244 8 G C 0.504 175.414 174.900 0.016 0.000 1.022 8 G CA 0.228 45.309 45.100 -0.031 0.000 0.741 8 G HN 1.054 nan 8.290 nan 0.000 0.508 9 L N 0.420 121.674 121.223 0.053 0.000 2.081 9 L HA 0.221 4.561 4.340 -0.000 0.000 0.212 9 L C 2.726 179.634 176.870 0.064 0.000 1.080 9 L CA 3.309 58.198 54.840 0.082 0.000 0.754 9 L CB -0.564 41.612 42.059 0.194 0.000 0.893 9 L HN 0.869 nan 8.230 nan 0.000 0.433 10 A N -1.131 121.741 122.820 0.087 0.000 2.235 10 A HA 0.391 4.711 4.320 -0.000 0.000 0.208 10 A C 1.323 178.955 177.584 0.080 0.000 1.172 10 A CA 0.516 52.592 52.037 0.066 0.000 0.786 10 A CB -1.194 17.853 19.000 0.078 0.000 0.804 10 A HN 0.489 nan 8.150 nan 0.000 0.479 11 G N -2.679 106.179 108.800 0.097 0.000 2.568 11 G HA2 0.330 4.290 3.960 -0.000 0.000 0.293 11 G HA3 0.330 4.290 3.960 -0.000 0.000 0.293 11 G C 0.513 175.508 174.900 0.158 0.000 1.347 11 G CA 0.001 45.198 45.100 0.162 0.000 1.039 11 G HN 0.295 nan 8.290 nan 0.000 0.523 12 Y N -0.636 119.736 120.300 0.120 0.000 2.200 12 Y HA -0.043 4.506 4.550 -0.000 0.000 0.290 12 Y C 2.303 178.258 175.900 0.093 0.000 1.137 12 Y CA 1.705 59.861 58.100 0.094 0.000 1.163 12 Y CB 0.104 38.641 38.460 0.129 0.000 0.988 12 Y HN 0.236 nan 8.280 nan 0.000 0.518 13 I N 0.423 120.949 120.570 -0.073 0.000 3.030 13 I HA 0.099 4.269 4.170 -0.000 0.000 0.270 13 I C 2.356 178.442 176.117 -0.052 0.000 1.211 13 I CA 1.008 62.213 61.300 -0.159 0.000 1.479 13 I CB -0.662 37.434 38.000 0.159 0.000 1.105 13 I HN 0.283 nan 8.210 nan 0.000 0.447 14 A N 1.593 124.412 122.820 -0.002 0.000 1.958 14 A HA -0.155 4.165 4.320 -0.000 0.000 0.221 14 A C -0.080 177.461 177.584 -0.071 0.000 1.178 14 A CA 2.066 54.102 52.037 -0.002 0.000 0.642 14 A CB -2.128 16.859 19.000 -0.022 0.000 0.816 14 A HN 0.341 nan 8.150 nan 0.000 0.453 15 P HA -0.112 nan 4.420 nan 0.000 0.220 15 P C 1.439 178.578 177.300 -0.269 0.000 1.148 15 P CA 1.017 63.981 63.100 -0.226 0.000 0.803 15 P CB -0.089 31.515 31.700 -0.160 0.000 0.782 16 R N -1.485 118.847 120.500 -0.279 0.000 2.092 16 R HA -0.106 4.234 4.340 -0.000 0.000 0.231 16 R C 2.323 178.397 176.300 -0.377 0.000 1.119 16 R CA 1.009 56.883 56.100 -0.376 0.000 0.970 16 R CB -0.656 29.228 30.300 -0.693 0.000 0.864 16 R HN 0.447 nan 8.270 nan 0.000 0.440 17 H N 0.667 119.572 119.070 -0.275 0.000 2.357 17 H HA -0.060 4.496 4.556 -0.000 0.000 0.301 17 H C 2.303 177.387 175.328 -0.406 0.000 1.082 17 H CA 1.291 57.181 56.048 -0.263 0.000 1.342 17 H CB -0.033 29.703 29.762 -0.043 0.000 1.389 17 H HN 0.144 nan 8.280 nan 0.000 0.511 18 L N 0.804 121.856 121.223 -0.286 0.000 2.043 18 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 18 L C 2.684 179.275 176.870 -0.465 0.000 1.075 18 L CA 1.512 56.066 54.840 -0.477 0.000 0.752 18 L CB -0.391 41.026 42.059 -1.070 0.000 0.891 18 L HN 0.177 nan 8.230 nan 0.000 0.432 19 K N 0.338 120.485 120.400 -0.421 0.000 2.097 19 K HA -0.142 4.178 4.320 -0.000 0.000 0.205 19 K C 2.150 178.645 176.600 -0.176 0.000 1.050 19 K CA 1.149 57.369 56.287 -0.112 0.000 0.938 19 K CB -0.025 32.437 32.500 -0.064 0.000 0.718 19 K HN 0.262 nan 8.250 nan 0.000 0.442 20 A N 1.401 123.985 122.820 -0.394 0.000 1.873 20 A HA -0.090 4.230 4.320 -0.000 0.000 0.215 20 A C 2.071 179.321 177.584 -0.555 0.000 1.186 20 A CA 1.301 53.003 52.037 -0.559 0.000 0.616 20 A CB -0.568 17.784 19.000 -1.081 0.000 0.823 20 A HN 0.314 nan 8.150 nan 0.000 0.442 21 I N -0.067 120.095 120.570 -0.679 0.000 2.118 21 I HA -0.339 3.831 4.170 -0.000 0.000 0.241 21 I C 2.605 178.687 176.117 -0.058 0.000 1.070 21 I CA 2.089 63.065 61.300 -0.540 0.000 1.327 21 I CB -0.265 37.366 38.000 -0.614 0.000 1.034 21 I HN 0.421 nan 8.210 nan 0.000 0.405 22 K N 1.267 121.780 120.400 0.188 0.000 2.009 22 K HA -0.251 4.069 4.320 -0.000 0.000 0.210 22 K C 1.910 178.567 176.600 0.094 0.000 1.049 22 K CA 2.009 58.452 56.287 0.259 0.000 0.929 22 K CB -0.148 32.470 32.500 0.196 0.000 0.714 22 K HN 0.366 nan 8.250 nan 0.000 0.440 23 E N 0.267 120.477 120.200 0.016 0.000 2.274 23 E HA -0.105 4.245 4.350 -0.000 0.000 0.194 23 E C 1.473 178.073 176.600 0.001 0.000 0.996 23 E CA 1.021 57.420 56.400 -0.003 0.000 0.840 23 E CB 0.225 29.909 29.700 -0.027 0.000 0.772 23 E HN 0.350 nan 8.360 nan 0.000 0.491 24 V N -2.792 117.118 119.914 -0.007 0.000 3.499 24 V HA 0.406 4.526 4.120 -0.000 0.000 0.308 24 V C 1.049 177.188 176.094 0.076 0.000 1.319 24 V CA 0.394 62.714 62.300 0.034 0.000 1.194 24 V CB -0.378 31.478 31.823 0.056 0.000 1.072 24 V HN 0.236 nan 8.190 nan 0.000 0.426 25 G N -0.538 108.314 108.800 0.088 0.000 2.143 25 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.248 25 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.248 25 G C 0.563 175.565 174.900 0.170 0.000 0.991 25 G CA 0.157 45.328 45.100 0.119 0.000 0.689 25 G HN 1.391 nan 8.290 nan 0.000 0.522 26 G N -1.666 107.252 108.800 0.196 0.000 2.580 26 G HA2 0.656 4.616 3.960 -0.000 0.000 0.278 26 G HA3 0.656 4.616 3.960 -0.000 0.000 0.278 26 G C -0.321 174.699 174.900 0.200 0.000 1.212 26 G CA 0.121 45.386 45.100 0.274 0.000 0.939 26 G HN 1.277 nan 8.290 nan 0.000 0.513 27 V N 0.561 120.561 119.914 0.143 0.000 2.577 27 V HA 0.529 4.649 4.120 -0.000 0.000 0.303 27 V C -0.908 174.998 176.094 -0.312 0.000 1.042 27 V CA -0.962 61.286 62.300 -0.088 0.000 0.872 27 V CB 1.611 33.480 31.823 0.077 0.000 0.998 27 V HN 0.689 nan 8.190 nan 0.000 0.423 28 L N 7.354 127.950 121.223 -1.045 0.000 2.278 28 L HA 0.421 4.761 4.340 -0.000 0.000 0.287 28 L C 0.906 177.685 176.870 -0.152 0.000 1.072 28 L CA 0.825 55.323 54.840 -0.570 0.000 0.819 28 L CB 1.642 43.217 42.059 -0.807 0.000 1.176 28 L HN 0.694 nan 8.230 nan 0.000 0.435 29 V N 2.646 122.582 119.914 0.037 0.000 3.307 29 V HA 0.715 4.835 4.120 -0.000 0.000 0.253 29 V C 0.586 176.832 176.094 0.253 0.000 1.149 29 V CA 0.728 63.113 62.300 0.141 0.000 1.112 29 V CB -0.281 31.623 31.823 0.136 0.000 0.777 29 V HN 0.916 nan 8.190 nan 0.000 0.464 30 A N -0.688 122.302 122.820 0.284 0.000 2.594 30 A HA 0.803 5.123 4.320 -0.000 0.000 0.296 30 A C -0.627 177.240 177.584 0.472 0.000 1.056 30 A CA 0.005 52.295 52.037 0.423 0.000 0.693 30 A CB 1.410 20.741 19.000 0.551 0.000 1.278 30 A HN 0.369 nan 8.150 nan 0.000 0.408 31 S N -0.425 115.569 115.700 0.490 0.000 2.661 31 S HA 0.856 5.326 4.470 -0.000 0.000 0.285 31 S C -1.431 173.161 174.600 -0.014 0.000 1.138 31 S CA -0.558 57.832 58.200 0.317 0.000 0.855 31 S CB 1.763 65.164 63.200 0.336 0.000 1.136 31 S HN 1.617 nan 8.310 nan 0.000 0.484 32 L N 1.747 122.743 121.223 -0.378 0.000 2.436 32 L HA 0.820 5.160 4.340 -0.000 0.000 0.268 32 L C -1.972 174.693 176.870 -0.341 0.000 0.974 32 L CA 0.045 54.474 54.840 -0.685 0.000 0.826 32 L CB 1.897 43.148 42.059 -1.348 0.000 1.291 32 L HN 0.715 nan 8.230 nan 0.000 0.406 33 D N 4.949 125.199 120.400 -0.251 0.000 2.812 33 D HA 0.283 4.923 4.640 -0.000 0.000 0.210 33 D C -2.568 173.755 176.300 0.038 0.000 1.260 33 D CA -0.753 53.236 54.000 -0.018 0.000 0.817 33 D CB 3.049 43.959 40.800 0.184 0.000 1.694 33 D HN 0.320 nan 8.370 nan 0.000 0.530 34 P HA 0.076 nan 4.420 nan 0.000 0.230 34 P C 0.178 177.542 177.300 0.107 0.000 1.158 34 P CA 0.360 63.488 63.100 0.046 0.000 0.769 34 P CB 0.329 32.043 31.700 0.023 0.000 0.807 35 A N 0.083 122.982 122.820 0.131 0.000 2.295 35 A HA 0.516 4.836 4.320 -0.000 0.000 0.318 35 A C 0.944 178.614 177.584 0.144 0.000 1.134 35 A CA -0.017 52.090 52.037 0.118 0.000 0.827 35 A CB 0.554 19.612 19.000 0.096 0.000 1.136 35 A HN 0.114 nan 8.150 nan 0.000 0.493 36 T N -2.018 112.577 114.554 0.068 0.000 3.170 36 T HA 0.106 4.456 4.350 -0.000 0.000 0.288 36 T C 0.229 174.869 174.700 -0.099 0.000 0.992 36 T CA -0.092 61.996 62.100 -0.020 0.000 0.909 36 T CB -0.508 68.360 68.868 -0.001 0.000 1.133 36 T HN 0.508 nan 8.240 nan 0.000 0.530 37 N N 2.681 121.352 118.700 -0.049 0.000 2.819 37 N HA 0.146 4.886 4.740 -0.000 0.000 0.284 37 N C 0.787 176.250 175.510 -0.079 0.000 1.196 37 N CA -0.043 52.972 53.050 -0.058 0.000 1.114 37 N CB 0.199 38.673 38.487 -0.021 0.000 1.437 37 N HN 0.452 nan 8.380 nan 0.000 0.518 38 V N -0.368 119.450 119.914 -0.160 0.000 3.330 38 V HA 0.469 4.588 4.120 -0.000 0.000 0.309 38 V C 1.689 177.698 176.094 -0.141 0.000 1.481 38 V CA 0.248 62.445 62.300 -0.172 0.000 1.068 38 V CB 0.194 31.805 31.823 -0.353 0.000 0.935 38 V HN 0.288 nan 8.190 nan 0.000 0.453 39 G N 1.559 110.289 108.800 -0.116 0.000 2.479 39 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.220 39 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.220 39 G C 1.302 176.192 174.900 -0.016 0.000 1.115 39 G CA 1.293 46.347 45.100 -0.076 0.000 0.757 39 G HN 0.595 nan 8.290 nan 0.000 0.560 40 L N 0.856 122.085 121.223 0.010 0.000 2.137 40 L HA -0.100 4.240 4.340 -0.000 0.000 0.213 40 L C 2.594 179.569 176.870 0.176 0.000 1.085 40 L CA 1.830 56.719 54.840 0.081 0.000 0.760 40 L CB -0.546 41.562 42.059 0.082 0.000 0.893 40 L HN 0.061 nan 8.230 nan 0.000 0.434 41 V N -0.045 119.944 119.914 0.125 0.000 2.469 41 V HA -0.287 3.833 4.120 -0.000 0.000 0.251 41 V C 2.001 178.214 176.094 0.200 0.000 1.064 41 V CA 2.308 64.725 62.300 0.197 0.000 1.066 41 V CB -0.640 31.265 31.823 0.136 0.000 0.667 41 V HN 0.601 nan 8.190 nan 0.000 0.461 42 D N 0.140 120.597 120.400 0.096 0.000 2.263 42 D HA -0.096 4.543 4.640 -0.000 0.000 0.208 42 D C 2.219 178.517 176.300 -0.004 0.000 0.971 42 D CA 1.577 55.606 54.000 0.048 0.000 0.867 42 D CB -0.123 40.680 40.800 0.006 0.000 0.929 42 D HN 0.708 nan 8.370 nan 0.000 0.492 43 S N -1.338 114.350 115.700 -0.020 0.000 2.593 43 S HA 0.084 4.554 4.470 -0.000 0.000 0.217 43 S C 1.386 175.729 174.600 -0.430 0.000 0.966 43 S CA -0.133 57.945 58.200 -0.203 0.000 0.914 43 S CB -0.252 62.797 63.200 -0.252 0.000 0.776 43 S HN 0.125 nan 8.310 nan 0.000 0.523 44 F N -0.017 119.775 119.950 -0.262 0.000 2.532 44 F HA 0.481 5.008 4.527 -0.000 0.000 0.278 44 F C 0.024 175.219 175.800 -1.009 0.000 0.975 44 F CA -0.492 57.127 58.000 -0.634 0.000 1.292 44 F CB 0.474 39.112 39.000 -0.602 0.000 1.112 44 F HN 0.117 nan 8.300 nan 0.000 0.703 45 F N 1.353 121.437 119.950 0.222 0.000 2.660 45 F HA 0.377 4.904 4.527 -0.000 0.000 0.352 45 F C -1.976 173.888 175.800 0.106 0.000 1.257 45 F CA -2.722 55.364 58.000 0.143 0.000 1.200 45 F CB 0.214 39.303 39.000 0.149 0.000 1.473 45 F HN -0.224 nan 8.300 nan 0.000 0.561 46 P HA -0.160 nan 4.420 nan 0.000 0.226 46 P C 0.905 178.274 177.300 0.115 0.000 1.146 46 P CA 1.267 64.424 63.100 0.095 0.000 0.773 46 P CB 0.506 32.231 31.700 0.040 0.000 0.772 47 E N -0.781 119.516 120.200 0.163 0.000 2.481 47 E HA 0.285 4.635 4.350 -0.000 0.000 0.198 47 E C 0.500 177.194 176.600 0.156 0.000 1.027 47 E CA -0.299 56.184 56.400 0.139 0.000 0.900 47 E CB -0.095 29.685 29.700 0.134 0.000 0.993 47 E HN 0.121 nan 8.360 nan 0.000 0.482 48 A N 1.123 124.063 122.820 0.200 0.000 2.425 48 A HA 0.126 4.446 4.320 -0.000 0.000 0.249 48 A C 0.270 177.954 177.584 0.168 0.000 1.084 48 A CA -0.265 51.896 52.037 0.207 0.000 0.781 48 A CB 0.310 19.463 19.000 0.256 0.000 1.019 48 A HN 0.058 nan 8.150 nan 0.000 0.490 49 E N -0.109 120.187 120.200 0.160 0.000 2.371 49 E HA 0.391 4.741 4.350 -0.000 0.000 0.257 49 E C -1.322 175.365 176.600 0.145 0.000 1.134 49 E CA 0.202 56.629 56.400 0.046 0.000 0.919 49 E CB 1.053 30.695 29.700 -0.098 0.000 1.025 49 E HN 0.488 nan 8.360 nan 0.000 0.438 50 F N 1.242 121.044 119.950 -0.247 0.000 2.569 50 F HA 0.464 4.990 4.527 -0.000 0.000 0.312 50 F C -1.747 173.784 175.800 -0.447 0.000 1.109 50 F CA -0.888 57.027 58.000 -0.141 0.000 0.919 50 F CB 1.004 39.950 39.000 -0.090 0.000 1.211 50 F HN 0.270 nan 8.300 nan 0.000 0.446 51 F N 2.148 121.486 119.950 -1.021 0.000 2.576 51 F HA 0.415 4.942 4.527 -0.000 0.000 0.313 51 F C 0.826 176.123 175.800 -0.839 0.000 1.078 51 F CA -0.357 57.272 58.000 -0.619 0.000 0.921 51 F CB 2.584 41.444 39.000 -0.233 0.000 1.232 51 F HN 0.509 nan 8.300 nan 0.000 0.459 52 T N -3.594 110.819 114.554 -0.235 0.000 2.971 52 T HA 0.211 4.561 4.350 -0.000 0.000 0.252 52 T C 0.024 174.688 174.700 -0.059 0.000 1.022 52 T CA -0.045 61.970 62.100 -0.141 0.000 0.980 52 T CB 0.085 68.960 68.868 0.011 0.000 1.044 52 T HN 0.367 nan 8.240 nan 0.000 0.501 53 E N 2.514 122.721 120.200 0.013 0.000 2.109 53 E HA 0.266 4.616 4.350 -0.000 0.000 0.278 53 E C -2.194 174.415 176.600 0.016 0.000 0.954 53 E CA -2.364 54.049 56.400 0.023 0.000 0.779 53 E CB 1.917 31.651 29.700 0.057 0.000 1.093 53 E HN 0.077 nan 8.360 nan 0.000 0.401 54 P HA -0.210 nan 4.420 nan 0.000 0.216 54 P C 0.793 178.117 177.300 0.039 0.000 1.154 54 P CA 1.401 64.488 63.100 -0.021 0.000 0.865 54 P CB 0.402 32.078 31.700 -0.040 0.000 0.789 55 E N -0.569 119.643 120.200 0.019 0.000 2.153 55 E HA -0.119 4.231 4.350 -0.000 0.000 0.194 55 E C 2.097 178.697 176.600 0.001 0.000 0.988 55 E CA 1.447 57.853 56.400 0.010 0.000 0.811 55 E CB -0.928 28.778 29.700 0.010 0.000 0.746 55 E HN 0.198 nan 8.360 nan 0.000 0.466 56 A N 0.380 123.218 122.820 0.030 0.000 1.897 56 A HA -0.098 4.222 4.320 -0.000 0.000 0.215 56 A C 2.020 179.466 177.584 -0.230 0.000 1.181 56 A CA 0.900 52.962 52.037 0.042 0.000 0.620 56 A CB -0.703 18.428 19.000 0.219 0.000 0.821 56 A HN 0.337 nan 8.150 nan 0.000 0.443 57 F N 1.007 120.597 119.950 -0.600 0.000 2.126 57 F HA -0.168 4.359 4.527 -0.000 0.000 0.299 57 F C 2.124 177.613 175.800 -0.519 0.000 1.096 57 F CA 2.206 59.580 58.000 -1.043 0.000 1.255 57 F CB -0.226 38.470 39.000 -0.507 0.000 0.997 57 F HN 0.433 nan 8.300 nan 0.000 0.479 58 E N 0.097 120.176 120.200 -0.201 0.000 2.046 58 E HA -0.132 4.218 4.350 -0.000 0.000 0.190 58 E C 2.340 178.798 176.600 -0.236 0.000 0.982 58 E CA 0.938 57.194 56.400 -0.241 0.000 0.800 58 E CB -0.381 29.268 29.700 -0.084 0.000 0.756 58 E HN 0.412 nan 8.360 nan 0.000 0.449 59 A N 0.524 123.254 122.820 -0.151 0.000 1.917 59 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 59 A C 2.103 179.626 177.584 -0.102 0.000 1.182 59 A CA 1.782 53.760 52.037 -0.099 0.000 0.633 59 A CB -1.055 17.926 19.000 -0.031 0.000 0.819 59 A HN 0.628 nan 8.150 nan 0.000 0.448 60 Y N 0.333 120.464 120.300 -0.283 0.000 2.200 60 Y HA -0.106 4.444 4.550 -0.000 0.000 0.290 60 Y C 1.916 177.662 175.900 -0.257 0.000 1.137 60 Y CA 1.688 59.647 58.100 -0.234 0.000 1.163 60 Y CB -0.302 37.975 38.460 -0.305 0.000 0.988 60 Y HN 0.217 nan 8.280 nan 0.000 0.518 61 L N -0.078 120.838 121.223 -0.511 0.000 2.109 61 L HA -0.158 4.181 4.340 -0.000 0.000 0.207 61 L C 2.521 179.151 176.870 -0.401 0.000 1.086 61 L CA 1.715 56.219 54.840 -0.560 0.000 0.760 61 L CB -0.553 41.159 42.059 -0.579 0.000 0.910 61 L HN 0.258 nan 8.230 nan 0.000 0.437 62 E N 0.295 120.313 120.200 -0.304 0.000 2.110 62 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 62 E C 1.602 178.082 176.600 -0.201 0.000 0.988 62 E CA 1.372 57.642 56.400 -0.216 0.000 0.804 62 E CB 0.185 29.787 29.700 -0.162 0.000 0.745 62 E HN 0.397 nan 8.360 nan 0.000 0.458 63 D N 0.542 120.814 120.400 -0.214 0.000 2.097 63 D HA -0.163 4.477 4.640 -0.000 0.000 0.195 63 D C 2.099 178.273 176.300 -0.211 0.000 0.989 63 D CA 0.766 54.663 54.000 -0.171 0.000 0.827 63 D CB -0.290 40.429 40.800 -0.134 0.000 0.966 63 D HN 0.230 nan 8.370 nan 0.000 0.456 64 L N 0.448 121.467 121.223 -0.341 0.000 2.043 64 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 64 L C 2.509 179.255 176.870 -0.206 0.000 1.075 64 L CA 1.663 56.316 54.840 -0.310 0.000 0.752 64 L CB -0.390 41.411 42.059 -0.430 0.000 0.891 64 L HN 0.129 nan 8.230 nan 0.000 0.432 65 R N -0.891 119.486 120.500 -0.204 0.000 2.161 65 R HA -0.056 4.284 4.340 -0.000 0.000 0.213 65 R C 1.479 177.707 176.300 -0.119 0.000 1.055 65 R CA 1.042 57.051 56.100 -0.152 0.000 0.996 65 R CB -0.539 29.669 30.300 -0.154 0.000 0.901 65 R HN 0.101 nan 8.270 nan 0.000 0.456 66 D N 1.281 121.611 120.400 -0.115 0.000 2.351 66 D HA -0.139 4.501 4.640 -0.000 0.000 0.216 66 D C 0.834 177.091 176.300 -0.072 0.000 0.968 66 D CA 1.160 55.108 54.000 -0.086 0.000 0.899 66 D CB 0.046 40.799 40.800 -0.079 0.000 0.907 66 D HN 0.567 nan 8.370 nan 0.000 0.514 67 R N -1.207 119.246 120.500 -0.079 0.000 2.700 67 R HA 0.373 4.713 4.340 -0.000 0.000 0.399 67 R C 0.834 177.097 176.300 -0.062 0.000 1.115 67 R CA 0.260 56.324 56.100 -0.061 0.000 1.058 67 R CB -0.171 30.097 30.300 -0.053 0.000 1.389 67 R HN -0.069 nan 8.270 nan 0.000 0.582 68 G N 1.269 110.026 108.800 -0.070 0.000 2.148 68 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.254 68 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.254 68 G C 0.331 175.192 174.900 -0.065 0.000 0.981 68 G CA 0.591 45.653 45.100 -0.063 0.000 0.670 68 G HN 0.478 nan 8.290 nan 0.000 0.528 69 E N 0.167 120.316 120.200 -0.084 0.000 2.693 69 E HA 0.448 4.798 4.350 -0.000 0.000 0.214 69 E C 1.609 178.141 176.600 -0.113 0.000 0.990 69 E CA 0.530 56.881 56.400 -0.082 0.000 1.047 69 E CB -0.195 29.461 29.700 -0.074 0.000 1.039 69 E HN 0.783 nan 8.360 nan 0.000 0.475 70 G N 0.748 109.469 108.800 -0.132 0.000 2.614 70 G HA2 0.063 4.023 3.960 -0.000 0.000 0.229 70 G HA3 0.063 4.023 3.960 -0.000 0.000 0.229 70 G C 0.499 175.314 174.900 -0.143 0.000 1.232 70 G CA 0.272 45.278 45.100 -0.157 0.000 0.857 70 G HN 0.257 nan 8.290 nan 0.000 0.560 71 V N -0.215 119.602 119.914 -0.160 0.000 2.953 71 V HA 0.327 4.447 4.120 -0.000 0.000 0.304 71 V C 0.593 176.589 176.094 -0.164 0.000 1.073 71 V CA -0.301 61.919 62.300 -0.134 0.000 1.064 71 V CB 1.608 33.365 31.823 -0.110 0.000 1.047 71 V HN 0.612 nan 8.190 nan 0.000 0.478 72 D N 0.273 120.567 120.400 -0.176 0.000 2.216 72 D HA 0.115 4.755 4.640 -0.000 0.000 0.208 72 D C -0.122 175.936 176.300 -0.404 0.000 0.960 72 D CA 1.624 55.489 54.000 -0.226 0.000 0.861 72 D CB 0.132 40.866 40.800 -0.111 0.000 0.985 72 D HN 0.703 nan 8.370 nan 0.000 0.493 73 Y N -0.268 119.798 120.300 -0.391 0.000 2.462 73 Y HA 0.401 4.950 4.550 -0.000 0.000 0.346 73 Y C -0.624 175.222 175.900 -0.089 0.000 0.976 73 Y CA -1.202 56.728 58.100 -0.284 0.000 1.044 73 Y CB 2.221 40.384 38.460 -0.496 0.000 1.230 73 Y HN -0.261 nan 8.280 nan 0.000 0.455 74 L N 2.795 124.093 121.223 0.125 0.000 2.277 74 L HA 0.554 4.894 4.340 -0.000 0.000 0.284 74 L C -0.702 176.302 176.870 0.223 0.000 1.028 74 L CA -0.031 54.907 54.840 0.163 0.000 0.835 74 L CB 0.783 42.884 42.059 0.071 0.000 1.215 74 L HN 0.497 nan 8.230 nan 0.000 0.425 75 S N 6.059 121.937 115.700 0.297 0.000 2.499 75 S HA 0.608 5.078 4.470 -0.000 0.000 0.279 75 S C -0.156 174.482 174.600 0.063 0.000 1.219 75 S CA -0.252 58.097 58.200 0.250 0.000 1.062 75 S CB 0.606 64.041 63.200 0.392 0.000 0.978 75 S HN 0.511 nan 8.310 nan 0.000 0.489 76 I N 2.626 123.175 120.570 -0.036 0.000 2.410 76 I HA 0.463 4.633 4.170 -0.000 0.000 0.286 76 I C 0.216 176.195 176.117 -0.230 0.000 1.009 76 I CA -0.369 60.854 61.300 -0.130 0.000 1.111 76 I CB 1.580 39.487 38.000 -0.155 0.000 1.262 76 I HN 0.752 nan 8.210 nan 0.000 0.443 77 A N 4.430 127.135 122.820 -0.192 0.000 2.610 77 A HA 0.405 4.725 4.320 -0.000 0.000 0.290 77 A C 0.377 177.958 177.584 -0.004 0.000 1.001 77 A CA -0.319 51.645 52.037 -0.121 0.000 1.004 77 A CB 0.013 18.869 19.000 -0.241 0.000 1.220 77 A HN 0.623 nan 8.150 nan 0.000 0.507 78 S N -0.333 115.359 115.700 -0.015 0.000 2.686 78 S HA 0.688 5.158 4.470 -0.000 0.000 0.270 78 S C -2.802 171.701 174.600 -0.160 0.000 1.194 78 S CA -1.333 56.817 58.200 -0.082 0.000 0.990 78 S CB 0.221 63.348 63.200 -0.122 0.000 1.029 78 S HN 0.102 nan 8.310 nan 0.000 0.560 79 P HA 0.214 nan 4.420 nan 0.000 0.268 79 P C 0.368 177.221 177.300 -0.745 0.000 1.208 79 P CA -0.195 62.201 63.100 -1.174 0.000 0.777 79 P CB 0.299 31.235 31.700 -1.273 0.000 0.875 80 N N 1.025 119.323 118.700 -0.671 0.000 2.104 80 N HA -0.205 4.535 4.740 -0.000 0.000 0.190 80 N C 1.523 176.731 175.510 -0.502 0.000 1.024 80 N CA 1.643 54.250 53.050 -0.738 0.000 0.853 80 N CB -1.178 37.186 38.487 -0.206 0.000 1.008 80 N HN 0.689 nan 8.380 nan 0.000 0.424 81 H N -0.868 118.016 119.070 -0.310 0.000 2.518 81 H HA 0.095 4.651 4.556 -0.000 0.000 0.289 81 H C 1.530 176.814 175.328 -0.074 0.000 1.051 81 H CA 0.698 56.665 56.048 -0.134 0.000 1.280 81 H CB -0.344 29.385 29.762 -0.056 0.000 1.380 81 H HN 0.151 nan 8.280 nan 0.000 0.566 82 L N 0.081 120.952 121.223 -0.587 0.000 2.567 82 L HA 0.081 4.421 4.340 -0.000 0.000 0.225 82 L C 1.808 178.657 176.870 -0.035 0.000 1.119 82 L CA 0.125 54.749 54.840 -0.360 0.000 0.871 82 L CB -0.259 41.529 42.059 -0.452 0.000 1.036 82 L HN 0.467 nan 8.230 nan 0.000 0.459 83 H N -1.320 117.691 119.070 -0.097 0.000 2.293 83 H HA -0.245 4.311 4.556 -0.000 0.000 0.300 83 H C 2.047 177.394 175.328 0.032 0.000 1.082 83 H CA 1.804 57.838 56.048 -0.024 0.000 1.308 83 H CB -0.010 29.758 29.762 0.010 0.000 1.375 83 H HN 0.234 nan 8.280 nan 0.000 0.495 84 Y N 2.432 122.785 120.300 0.089 0.000 2.097 84 Y HA -0.151 4.399 4.550 -0.000 0.000 0.282 84 Y C -0.721 175.192 175.900 0.022 0.000 1.152 84 Y CA 1.168 59.300 58.100 0.053 0.000 1.136 84 Y CB -1.230 37.268 38.460 0.063 0.000 0.975 84 Y HN 0.126 nan 8.280 nan 0.000 0.498 85 P HA -0.165 nan 4.420 nan 0.000 0.218 85 P C 1.035 178.227 177.300 -0.180 0.000 1.149 85 P CA 1.940 64.887 63.100 -0.254 0.000 0.817 85 P CB -0.132 31.507 31.700 -0.102 0.000 0.785 86 Q N -0.679 119.060 119.800 -0.101 0.000 2.187 86 Q HA -0.007 4.332 4.340 -0.000 0.000 0.199 86 Q C 2.378 178.335 176.000 -0.072 0.000 0.957 86 Q CA 0.839 56.604 55.803 -0.063 0.000 0.857 86 Q CB -0.397 28.320 28.738 -0.035 0.000 0.929 86 Q HN 0.286 nan 8.270 nan 0.000 0.453 87 I N 0.545 121.063 120.570 -0.086 0.000 2.226 87 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 87 I C 2.267 178.302 176.117 -0.137 0.000 1.100 87 I CA 0.892 62.140 61.300 -0.086 0.000 1.374 87 I CB -0.189 37.785 38.000 -0.043 0.000 1.057 87 I HN 0.130 nan 8.210 nan 0.000 0.413 88 R N 0.275 120.638 120.500 -0.229 0.000 2.127 88 R HA -0.201 4.139 4.340 -0.000 0.000 0.238 88 R C 2.157 178.361 176.300 -0.159 0.000 1.134 88 R CA 1.527 57.485 56.100 -0.236 0.000 0.975 88 R CB -0.737 29.348 30.300 -0.358 0.000 0.865 88 R HN 0.478 nan 8.270 nan 0.000 0.447 89 M N 0.053 119.574 119.600 -0.132 0.000 2.156 89 M HA -0.050 4.430 4.480 -0.000 0.000 0.264 89 M C 2.138 178.376 176.300 -0.103 0.000 1.067 89 M CA 1.642 56.883 55.300 -0.099 0.000 1.131 89 M CB -0.127 32.441 32.600 -0.053 0.000 1.368 89 M HN 0.107 nan 8.290 nan 0.000 0.416 90 A N 1.225 123.989 122.820 -0.093 0.000 1.865 90 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 90 A C 2.021 179.526 177.584 -0.132 0.000 1.191 90 A CA 1.759 53.733 52.037 -0.105 0.000 0.623 90 A CB -1.120 17.828 19.000 -0.086 0.000 0.826 90 A HN 0.604 nan 8.150 nan 0.000 0.444 91 L N -0.509 120.637 121.223 -0.129 0.000 2.027 91 L HA -0.211 4.128 4.340 -0.000 0.000 0.206 91 L C 2.832 179.630 176.870 -0.122 0.000 1.074 91 L CA 1.820 56.581 54.840 -0.131 0.000 0.745 91 L CB -0.598 41.390 42.059 -0.119 0.000 0.898 91 L HN 0.609 nan 8.230 nan 0.000 0.433 92 R N 1.046 121.476 120.500 -0.115 0.000 2.170 92 R HA -0.182 4.158 4.340 -0.000 0.000 0.242 92 R C 1.832 178.062 176.300 -0.116 0.000 1.145 92 R CA 1.554 57.590 56.100 -0.107 0.000 0.984 92 R CB -0.527 29.713 30.300 -0.100 0.000 0.869 92 R HN 0.351 nan 8.270 nan 0.000 0.455 93 L N 0.437 121.580 121.223 -0.132 0.000 2.599 93 L HA 0.248 4.588 4.340 -0.000 0.000 0.230 93 L C 1.081 177.861 176.870 -0.149 0.000 1.141 93 L CA 0.603 55.353 54.840 -0.150 0.000 0.877 93 L CB 0.287 42.237 42.059 -0.180 0.000 1.009 93 L HN 0.650 nan 8.230 nan 0.000 0.447 94 G N -0.027 108.688 108.800 -0.141 0.000 2.147 94 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.244 94 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.244 94 G C 0.186 174.983 174.900 -0.172 0.000 1.005 94 G CA 0.095 45.109 45.100 -0.143 0.000 0.713 94 G HN 0.517 nan 8.290 nan 0.000 0.515 95 A N -0.596 122.108 122.820 -0.193 0.000 2.330 95 A HA 0.813 5.133 4.320 -0.000 0.000 0.329 95 A C 0.272 177.680 177.584 -0.293 0.000 1.135 95 A CA -0.642 51.246 52.037 -0.249 0.000 0.817 95 A CB 0.819 19.692 19.000 -0.212 0.000 1.269 95 A HN 0.239 nan 8.150 nan 0.000 0.469 96 N N -0.100 118.319 118.700 -0.469 0.000 2.445 96 N HA 0.551 5.290 4.740 -0.000 0.000 0.264 96 N C -0.208 175.125 175.510 -0.295 0.000 1.227 96 N CA 0.278 53.045 53.050 -0.472 0.000 0.963 96 N CB 1.342 39.315 38.487 -0.856 0.000 1.188 96 N HN 0.820 nan 8.380 nan 0.000 0.491 97 A N 0.504 123.243 122.820 -0.136 0.000 2.337 97 A HA 0.622 4.942 4.320 -0.000 0.000 0.329 97 A C -1.076 176.608 177.584 0.167 0.000 1.146 97 A CA -0.477 51.567 52.037 0.012 0.000 0.800 97 A CB 0.761 19.742 19.000 -0.031 0.000 1.220 97 A HN 0.473 nan 8.150 nan 0.000 0.472 98 L N 2.165 123.511 121.223 0.206 0.000 2.442 98 L HA 0.564 4.904 4.340 -0.000 0.000 0.261 98 L C -0.196 176.732 176.870 0.098 0.000 1.000 98 L CA 0.056 55.003 54.840 0.179 0.000 0.882 98 L CB 1.156 43.283 42.059 0.114 0.000 1.207 98 L HN 0.609 nan 8.230 nan 0.000 0.443 99 S N 3.120 118.848 115.700 0.046 0.000 2.525 99 S HA 0.530 5.000 4.470 -0.000 0.000 0.290 99 S C -0.010 174.562 174.600 -0.047 0.000 1.152 99 S CA -0.571 57.584 58.200 -0.076 0.000 1.072 99 S CB 0.797 63.921 63.200 -0.126 0.000 1.027 99 S HN 0.623 nan 8.310 nan 0.000 0.500 100 E N 2.194 122.322 120.200 -0.119 0.000 2.422 100 E HA 0.092 4.442 4.350 -0.000 0.000 0.260 100 E C -0.057 176.600 176.600 0.096 0.000 1.108 100 E CA -0.083 56.362 56.400 0.076 0.000 0.943 100 E CB 0.401 30.205 29.700 0.174 0.000 0.961 100 E HN 0.624 nan 8.360 nan 0.000 0.443 101 K N 1.834 122.320 120.400 0.143 0.000 2.276 101 K HA 0.237 4.557 4.320 -0.000 0.000 0.259 101 K C -2.366 174.355 176.600 0.202 0.000 1.001 101 K CA -1.514 54.822 56.287 0.082 0.000 0.927 101 K CB -0.853 31.567 32.500 -0.133 0.000 0.969 101 K HN 0.129 nan 8.250 nan 0.000 0.490 102 P HA -0.014 nan 4.420 nan 0.000 0.274 102 P C 0.409 177.806 177.300 0.162 0.000 1.231 102 P CA -0.583 62.527 63.100 0.017 0.000 0.790 102 P CB 0.792 32.451 31.700 -0.068 0.000 0.951 103 L N 3.631 124.910 121.223 0.094 0.000 2.012 103 L HA -0.106 4.234 4.340 -0.000 0.000 0.210 103 L C 0.772 177.751 176.870 0.181 0.000 1.073 103 L CA 2.123 57.040 54.840 0.129 0.000 0.748 103 L CB -0.499 41.599 42.059 0.064 0.000 0.891 103 L HN 0.414 nan 8.230 nan 0.000 0.431 104 V N -5.644 114.322 119.914 0.087 0.000 3.182 104 V HA 0.290 4.410 4.120 -0.000 0.000 0.308 104 V C 0.693 176.734 176.094 -0.089 0.000 1.240 104 V CA -0.799 61.536 62.300 0.057 0.000 1.063 104 V CB 1.498 33.362 31.823 0.068 0.000 1.076 104 V HN 0.060 nan 8.190 nan 0.000 0.446 105 L N -1.116 119.996 121.223 -0.185 0.000 2.416 105 L HA 0.345 4.685 4.340 -0.000 0.000 0.216 105 L C -0.033 176.405 176.870 -0.720 0.000 1.098 105 L CA 0.978 55.516 54.840 -0.504 0.000 0.840 105 L CB 0.198 41.871 42.059 -0.644 0.000 0.981 105 L HN 0.642 nan 8.230 nan 0.000 0.462 106 W N -1.583 119.648 121.300 -0.115 0.000 2.915 106 W HA 0.350 5.010 4.660 -0.000 0.000 0.337 106 W C -1.868 174.573 176.519 -0.129 0.000 1.102 106 W CA -1.537 55.733 57.345 -0.125 0.000 1.224 106 W CB 0.512 29.887 29.460 -0.140 0.000 1.416 106 W HN -0.376 nan 8.180 nan 0.000 0.503 107 P HA -0.283 nan 4.420 nan 0.000 0.215 107 P C 1.430 178.748 177.300 0.030 0.000 1.157 107 P CA 2.477 65.613 63.100 0.060 0.000 0.874 107 P CB 0.179 31.915 31.700 0.059 0.000 0.790 108 E N 0.295 120.511 120.200 0.027 0.000 2.209 108 E HA -0.234 4.116 4.350 -0.000 0.000 0.196 108 E C 1.575 178.126 176.600 -0.081 0.000 0.993 108 E CA 1.185 57.564 56.400 -0.036 0.000 0.819 108 E CB -0.862 28.793 29.700 -0.074 0.000 0.745 108 E HN 0.348 nan 8.360 nan 0.000 0.477 109 E N 0.702 120.819 120.200 -0.138 0.000 2.150 109 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 109 E C 2.123 178.681 176.600 -0.069 0.000 0.985 109 E CA 0.786 56.999 56.400 -0.311 0.000 0.814 109 E CB -0.012 29.249 29.700 -0.731 0.000 0.752 109 E HN 0.320 nan 8.360 nan 0.000 0.466 110 I N 1.292 121.849 120.570 -0.022 0.000 2.163 110 I HA -0.270 3.900 4.170 -0.000 0.000 0.243 110 I C 2.492 178.619 176.117 0.018 0.000 1.085 110 I CA 1.290 62.599 61.300 0.014 0.000 1.347 110 I CB -1.212 36.791 38.000 0.006 0.000 1.044 110 I HN 0.073 nan 8.210 nan 0.000 0.408 111 A N 0.585 123.408 122.820 0.005 0.000 1.933 111 A HA -0.241 4.078 4.320 -0.000 0.000 0.218 111 A C 2.414 180.010 177.584 0.020 0.000 1.175 111 A CA 1.830 53.871 52.037 0.007 0.000 0.628 111 A CB -0.501 18.498 19.000 -0.002 0.000 0.814 111 A HN 0.282 nan 8.150 nan 0.000 0.444 112 R N 0.191 120.713 120.500 0.037 0.000 2.073 112 R HA 0.070 4.409 4.340 -0.000 0.000 0.229 112 R C 1.872 178.226 176.300 0.090 0.000 1.120 112 R CA 1.362 57.506 56.100 0.073 0.000 0.967 112 R CB -0.938 29.433 30.300 0.118 0.000 0.862 112 R HN 0.520 nan 8.270 nan 0.000 0.436 113 L N 0.567 121.864 121.223 0.124 0.000 2.043 113 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 113 L C 2.394 179.271 176.870 0.011 0.000 1.075 113 L CA 1.751 56.636 54.840 0.074 0.000 0.752 113 L CB -0.552 41.563 42.059 0.093 0.000 0.891 113 L HN 0.208 nan 8.230 nan 0.000 0.432 114 K N 0.237 120.642 120.400 0.008 0.000 2.032 114 K HA -0.219 4.101 4.320 -0.000 0.000 0.209 114 K C 2.004 178.596 176.600 -0.014 0.000 1.048 114 K CA 1.706 57.986 56.287 -0.012 0.000 0.927 114 K CB -0.165 32.332 32.500 -0.006 0.000 0.712 114 K HN 0.399 nan 8.250 nan 0.000 0.441 115 E N 0.843 121.041 120.200 -0.004 0.000 2.085 115 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 115 E C 2.063 178.651 176.600 -0.019 0.000 0.994 115 E CA 1.054 57.449 56.400 -0.009 0.000 0.801 115 E CB -0.107 29.593 29.700 -0.001 0.000 0.743 115 E HN 0.219 nan 8.360 nan 0.000 0.453 116 L N 0.900 122.113 121.223 -0.017 0.000 2.083 116 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 116 L C 2.322 179.159 176.870 -0.056 0.000 1.083 116 L CA 1.071 55.890 54.840 -0.036 0.000 0.752 116 L CB -0.480 41.556 42.059 -0.038 0.000 0.899 116 L HN 0.145 nan 8.230 nan 0.000 0.433 117 E N 0.456 120.620 120.200 -0.061 0.000 2.097 117 E HA -0.259 4.091 4.350 -0.000 0.000 0.196 117 E C 2.296 178.856 176.600 -0.066 0.000 1.000 117 E CA 1.391 57.742 56.400 -0.081 0.000 0.804 117 E CB -0.141 29.506 29.700 -0.088 0.000 0.740 117 E HN 0.545 nan 8.360 nan 0.000 0.454 118 A N 1.261 124.052 122.820 -0.049 0.000 1.929 118 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 118 A C 2.045 179.604 177.584 -0.041 0.000 1.176 118 A CA 0.722 52.735 52.037 -0.041 0.000 0.628 118 A CB -0.198 18.784 19.000 -0.030 0.000 0.816 118 A HN 0.037 nan 8.150 nan 0.000 0.444 119 R N -1.143 119.332 120.500 -0.041 0.000 2.152 119 R HA -0.072 4.267 4.340 -0.000 0.000 0.232 119 R C 1.478 177.748 176.300 -0.050 0.000 1.117 119 R CA 1.703 57.778 56.100 -0.042 0.000 0.981 119 R CB -0.355 29.920 30.300 -0.040 0.000 0.870 119 R HN 0.475 nan 8.270 nan 0.000 0.451 120 T N -1.769 112.749 114.554 -0.061 0.000 2.969 120 T HA 0.148 4.498 4.350 -0.000 0.000 0.250 120 T C 0.898 175.552 174.700 -0.076 0.000 1.021 120 T CA 0.753 62.809 62.100 -0.073 0.000 1.003 120 T CB 0.520 69.338 68.868 -0.084 0.000 1.040 120 T HN 0.515 nan 8.240 nan 0.000 0.492 121 G N 2.375 111.133 108.800 -0.071 0.000 2.166 121 G HA2 -0.237 3.722 3.960 -0.000 0.000 0.260 121 G HA3 -0.237 3.722 3.960 -0.000 0.000 0.260 121 G C 0.223 175.068 174.900 -0.092 0.000 0.986 121 G CA 0.238 45.295 45.100 -0.071 0.000 0.683 121 G HN 0.370 nan 8.290 nan 0.000 0.527 122 R N -0.775 119.657 120.500 -0.114 0.000 2.782 122 R HA 0.764 5.103 4.340 -0.000 0.000 0.258 122 R C 0.221 176.412 176.300 -0.182 0.000 1.055 122 R CA -0.767 55.240 56.100 -0.154 0.000 1.065 122 R CB 0.897 31.095 30.300 -0.171 0.000 1.172 122 R HN 0.180 nan 8.270 nan 0.000 0.510 123 R N 0.059 120.407 120.500 -0.253 0.000 2.807 123 R HA 0.494 4.834 4.340 -0.000 0.000 0.276 123 R C -0.927 175.070 176.300 -0.506 0.000 0.979 123 R CA -1.050 54.810 56.100 -0.400 0.000 0.928 123 R CB 2.038 32.031 30.300 -0.513 0.000 1.191 123 R HN 0.278 nan 8.270 nan 0.000 0.471 124 V N 3.749 123.340 119.914 -0.537 0.000 2.357 124 V HA 0.422 4.542 4.120 -0.000 0.000 0.284 124 V C -0.904 174.911 176.094 -0.464 0.000 1.018 124 V CA -0.598 61.491 62.300 -0.352 0.000 0.841 124 V CB 0.793 32.516 31.823 -0.167 0.000 0.991 124 V HN 0.535 nan 8.190 nan 0.000 0.437 125 Y N 2.004 122.319 120.300 0.025 0.000 2.621 125 Y HA 0.783 5.333 4.550 -0.000 0.000 0.334 125 Y C 0.553 176.477 175.900 0.039 0.000 1.074 125 Y CA -0.867 57.255 58.100 0.037 0.000 1.149 125 Y CB 2.232 40.711 38.460 0.032 0.000 1.302 125 Y HN 0.530 nan 8.280 nan 0.000 0.501 126 T N 0.015 114.726 114.554 0.262 0.000 2.883 126 T HA 0.568 4.918 4.350 -0.000 0.000 0.301 126 T C -1.898 172.901 174.700 0.165 0.000 1.158 126 T CA -0.615 61.579 62.100 0.156 0.000 1.007 126 T CB 0.974 69.907 68.868 0.109 0.000 1.186 126 T HN 0.327 nan 8.240 nan 0.000 0.499 127 V N 5.080 125.048 119.914 0.090 0.000 2.334 127 V HA 0.442 4.562 4.120 -0.000 0.000 0.267 127 V C -0.194 175.896 176.094 -0.007 0.000 1.040 127 V CA -0.309 62.012 62.300 0.035 0.000 0.866 127 V CB 0.474 32.275 31.823 -0.037 0.000 1.019 127 V HN 0.653 nan 8.190 nan 0.000 0.468 128 L N 5.590 126.777 121.223 -0.060 0.000 2.502 128 L HA 0.291 4.631 4.340 -0.000 0.000 0.247 128 L C 1.043 177.752 176.870 -0.268 0.000 1.180 128 L CA -0.445 54.238 54.840 -0.262 0.000 0.956 128 L CB 1.243 42.935 42.059 -0.612 0.000 1.282 128 L HN 0.568 nan 8.230 nan 0.000 0.470 129 Q N 0.295 120.042 119.800 -0.089 0.000 2.226 129 Q HA -0.139 4.201 4.340 -0.000 0.000 0.204 129 Q C 1.845 177.810 176.000 -0.057 0.000 0.975 129 Q CA 1.360 57.133 55.803 -0.049 0.000 0.866 129 Q CB -0.132 28.604 28.738 -0.003 0.000 0.915 129 Q HN 0.616 nan 8.270 nan 0.000 0.440 130 L N 0.187 121.363 121.223 -0.079 0.000 2.261 130 L HA -0.133 4.207 4.340 -0.000 0.000 0.216 130 L C 2.103 178.807 176.870 -0.277 0.000 1.114 130 L CA 1.124 55.896 54.840 -0.112 0.000 0.777 130 L CB -0.240 41.743 42.059 -0.126 0.000 0.910 130 L HN 0.283 nan 8.230 nan 0.000 0.440 131 R N -0.521 119.659 120.500 -0.533 0.000 2.307 131 R HA -0.050 4.289 4.340 -0.000 0.000 0.199 131 R C 1.734 177.841 176.300 -0.321 0.000 1.000 131 R CA 0.950 56.487 56.100 -0.937 0.000 1.023 131 R CB 0.159 29.568 30.300 -1.485 0.000 0.908 131 R HN 0.394 nan 8.270 nan 0.000 0.473 132 V N -3.390 116.477 119.914 -0.077 0.000 3.645 132 V HA 0.144 4.264 4.120 -0.000 0.000 0.275 132 V C 0.734 176.887 176.094 0.099 0.000 1.356 132 V CA -0.256 62.084 62.300 0.067 0.000 1.051 132 V CB -0.177 31.700 31.823 0.089 0.000 0.828 132 V HN 0.121 nan 8.190 nan 0.000 0.441 133 H N 3.325 122.391 119.070 -0.007 0.000 3.187 133 H HA 0.139 4.695 4.556 -0.000 0.000 0.286 133 H C -1.762 173.592 175.328 0.042 0.000 0.944 133 H CA -1.172 54.885 56.048 0.014 0.000 1.429 133 H CB 1.637 31.384 29.762 -0.024 0.000 1.483 133 H HN 0.206 nan 8.280 nan 0.000 0.555 134 P HA -0.126 nan 4.420 nan 0.000 0.217 134 P C 1.454 178.909 177.300 0.259 0.000 1.148 134 P CA 1.396 64.615 63.100 0.198 0.000 0.828 134 P CB 0.317 32.074 31.700 0.096 0.000 0.783 135 S N -1.009 114.957 115.700 0.443 0.000 2.447 135 S HA -0.031 4.439 4.470 -0.000 0.000 0.233 135 S C 1.695 176.306 174.600 0.019 0.000 1.006 135 S CA 0.943 59.255 58.200 0.187 0.000 0.957 135 S CB -0.773 62.526 63.200 0.164 0.000 0.773 135 S HN 0.163 nan 8.310 nan 0.000 0.507 136 L N 0.247 121.461 121.223 -0.014 0.000 2.298 136 L HA 0.205 4.545 4.340 -0.000 0.000 0.209 136 L C 2.026 178.977 176.870 0.135 0.000 1.084 136 L CA 0.404 55.232 54.840 -0.021 0.000 0.816 136 L CB -0.414 41.568 42.059 -0.129 0.000 0.967 136 L HN 0.222 nan 8.230 nan 0.000 0.460 137 L N 0.269 121.623 121.223 0.218 0.000 2.191 137 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 137 L C 2.677 179.591 176.870 0.074 0.000 1.103 137 L CA 1.122 56.091 54.840 0.215 0.000 0.769 137 L CB -0.345 41.848 42.059 0.223 0.000 0.908 137 L HN 0.284 nan 8.230 nan 0.000 0.438 138 A N -0.816 122.042 122.820 0.064 0.000 1.984 138 A HA -0.071 4.249 4.320 -0.000 0.000 0.214 138 A C 2.197 179.778 177.584 -0.005 0.000 1.173 138 A CA 0.425 52.480 52.037 0.031 0.000 0.673 138 A CB -0.328 18.701 19.000 0.049 0.000 0.830 138 A HN 0.340 nan 8.150 nan 0.000 0.453 139 L N -0.212 121.001 121.223 -0.016 0.000 2.012 139 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 139 L C 2.564 179.370 176.870 -0.106 0.000 1.073 139 L CA 2.189 57.004 54.840 -0.043 0.000 0.748 139 L CB -0.295 41.736 42.059 -0.047 0.000 0.891 139 L HN 0.450 nan 8.230 nan 0.000 0.431 140 K N -0.219 120.072 120.400 -0.182 0.000 2.152 140 K HA -0.277 4.043 4.320 -0.000 0.000 0.206 140 K C 1.845 178.315 176.600 -0.216 0.000 1.048 140 K CA 1.680 57.770 56.287 -0.328 0.000 0.933 140 K CB 0.079 32.215 32.500 -0.607 0.000 0.721 140 K HN 0.269 nan 8.250 nan 0.000 0.447 141 E N 1.239 121.364 120.200 -0.124 0.000 2.000 141 E HA -0.187 4.163 4.350 -0.000 0.000 0.199 141 E C 1.885 178.451 176.600 -0.056 0.000 1.011 141 E CA 1.779 58.135 56.400 -0.072 0.000 0.836 141 E CB -0.183 29.500 29.700 -0.029 0.000 0.778 141 E HN 0.184 nan 8.360 nan 0.000 0.462 142 R N -0.536 119.943 120.500 -0.034 0.000 2.165 142 R HA -0.219 4.121 4.340 -0.000 0.000 0.254 142 R C 2.317 178.603 176.300 -0.022 0.000 1.153 142 R CA 1.669 57.759 56.100 -0.017 0.000 0.971 142 R CB -0.721 29.577 30.300 -0.003 0.000 0.878 142 R HN 0.212 nan 8.270 nan 0.000 0.449 143 L N -0.576 120.620 121.223 -0.046 0.000 1.970 143 L HA -0.069 4.271 4.340 -0.000 0.000 0.212 143 L C 2.230 179.079 176.870 -0.034 0.000 1.071 143 L CA 2.323 57.142 54.840 -0.035 0.000 0.751 143 L CB -1.404 40.602 42.059 -0.089 0.000 0.889 143 L HN 0.346 nan 8.230 nan 0.000 0.432 144 G N -1.589 107.169 108.800 -0.071 0.000 2.916 144 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.205 144 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.205 144 G C 0.971 175.853 174.900 -0.030 0.000 1.163 144 G CA 0.085 45.151 45.100 -0.057 0.000 0.821 144 G HN 0.531 nan 8.290 nan 0.000 0.515 145 Q N -0.037 119.752 119.800 -0.019 0.000 2.206 145 Q HA 0.269 4.608 4.340 -0.000 0.000 0.265 145 Q C -0.508 175.493 176.000 0.002 0.000 0.866 145 Q CA -0.101 55.698 55.803 -0.008 0.000 1.073 145 Q CB 0.369 29.103 28.738 -0.007 0.000 1.165 145 Q HN 0.809 nan 8.270 nan 0.000 0.465 146 E N -0.282 119.922 120.200 0.006 0.000 2.400 146 E HA 0.285 4.635 4.350 -0.000 0.000 0.285 146 E C -1.172 175.440 176.600 0.020 0.000 1.005 146 E CA -1.126 55.282 56.400 0.014 0.000 0.816 146 E CB 1.009 30.720 29.700 0.019 0.000 1.220 146 E HN -0.109 nan 8.360 nan 0.000 0.426 147 K N 1.127 121.539 120.400 0.020 0.000 2.393 147 K HA 0.858 5.178 4.320 -0.000 0.000 0.241 147 K C 0.243 176.858 176.600 0.026 0.000 1.055 147 K CA -0.383 55.919 56.287 0.026 0.000 0.951 147 K CB 1.055 33.566 32.500 0.020 0.000 1.285 147 K HN 1.267 nan 8.250 nan 0.000 0.500 148 G N -0.864 107.951 108.800 0.025 0.000 3.055 148 G HA2 0.259 4.219 3.960 -0.000 0.000 0.686 148 G HA3 0.259 4.219 3.960 -0.000 0.000 0.686 148 G C -0.323 174.583 174.900 0.011 0.000 1.087 148 G CA -0.430 44.680 45.100 0.016 0.000 0.779 148 G HN 0.875 nan 8.290 nan 0.000 0.599 149 A N 1.873 124.690 122.820 -0.005 0.000 2.584 149 A HA 0.504 4.824 4.320 -0.000 0.000 0.239 149 A C 0.836 178.381 177.584 -0.066 0.000 1.043 149 A CA 1.113 53.126 52.037 -0.040 0.000 0.756 149 A CB 0.220 19.198 19.000 -0.035 0.000 0.963 149 A HN 0.956 nan 8.150 nan 0.000 0.511 150 K N 1.084 121.390 120.400 -0.156 0.000 2.098 150 K HA 0.378 4.697 4.320 -0.000 0.000 0.257 150 K C -0.402 176.090 176.600 -0.180 0.000 0.999 150 K CA -0.264 55.921 56.287 -0.170 0.000 0.924 150 K CB 0.816 33.175 32.500 -0.236 0.000 1.028 150 K HN 0.672 nan 8.250 nan 0.000 0.466 151 D N 1.286 121.631 120.400 -0.092 0.000 2.381 151 D HA 0.327 4.967 4.640 -0.000 0.000 0.235 151 D C -1.332 174.953 176.300 -0.025 0.000 1.068 151 D CA -0.321 53.655 54.000 -0.040 0.000 0.832 151 D CB 1.060 41.860 40.800 -0.001 0.000 1.101 151 D HN 0.051 nan 8.370 nan 0.000 0.515 152 V N 3.393 123.300 119.914 -0.011 0.000 2.656 152 V HA 0.475 4.595 4.120 -0.000 0.000 0.307 152 V C -0.123 176.024 176.094 0.087 0.000 1.051 152 V CA -0.819 61.502 62.300 0.035 0.000 0.893 152 V CB 2.278 34.114 31.823 0.021 0.000 0.999 152 V HN 0.319 nan 8.190 nan 0.000 0.426 153 V N 5.478 125.441 119.914 0.081 0.000 2.483 153 V HA 0.482 4.602 4.120 -0.000 0.000 0.297 153 V C -0.842 175.307 176.094 0.092 0.000 1.027 153 V CA -0.582 61.760 62.300 0.070 0.000 0.855 153 V CB 1.867 33.660 31.823 -0.050 0.000 0.995 153 V HN 0.600 nan 8.190 nan 0.000 0.424 154 L N 5.010 126.320 121.223 0.146 0.000 2.325 154 L HA 0.765 5.105 4.340 -0.000 0.000 0.281 154 L C -0.347 176.503 176.870 -0.034 0.000 1.004 154 L CA 0.384 55.241 54.840 0.030 0.000 0.823 154 L CB 1.600 43.635 42.059 -0.039 0.000 1.236 154 L HN 0.741 nan 8.230 nan 0.000 0.415 155 T N 5.185 119.640 114.554 -0.166 0.000 2.848 155 T HA 0.449 4.798 4.350 -0.000 0.000 0.285 155 T C -1.529 172.992 174.700 -0.299 0.000 0.995 155 T CA -0.216 61.730 62.100 -0.258 0.000 0.970 155 T CB 1.308 69.958 68.868 -0.363 0.000 0.976 155 T HN 0.416 nan 8.240 nan 0.000 0.441 156 Y N 2.662 122.761 120.300 -0.335 0.000 2.317 156 Y HA 0.506 5.056 4.550 -0.000 0.000 0.329 156 Y C -1.273 174.561 175.900 -0.109 0.000 1.101 156 Y CA -0.682 57.230 58.100 -0.312 0.000 1.228 156 Y CB 0.990 39.230 38.460 -0.368 0.000 1.123 156 Y HN 0.426 nan 8.280 nan 0.000 0.457 157 V N 4.212 124.141 119.914 0.026 0.000 2.378 157 V HA 0.388 4.508 4.120 -0.000 0.000 0.288 157 V C -0.194 175.938 176.094 0.063 0.000 1.016 157 V CA -0.549 61.847 62.300 0.160 0.000 0.840 157 V CB 1.760 33.782 31.823 0.332 0.000 0.994 157 V HN 0.683 nan 8.190 nan 0.000 0.431 158 T N 4.302 118.887 114.554 0.052 0.000 3.155 158 T HA 0.479 4.829 4.350 -0.000 0.000 0.384 158 T C 0.510 175.179 174.700 -0.052 0.000 1.351 158 T CA -0.057 62.039 62.100 -0.008 0.000 1.198 158 T CB -0.121 68.761 68.868 0.024 0.000 1.106 158 T HN 0.908 nan 8.240 nan 0.000 0.564 159 G N 4.196 112.984 108.800 -0.020 0.000 2.353 159 G HA2 0.428 4.388 3.960 -0.000 0.000 0.239 159 G HA3 0.428 4.388 3.960 -0.000 0.000 0.239 159 G C -0.319 174.513 174.900 -0.113 0.000 1.295 159 G CA -0.352 44.722 45.100 -0.043 0.000 0.884 159 G HN 0.617 nan 8.290 nan 0.000 0.537 160 R N 1.313 121.690 120.500 -0.205 0.000 2.574 160 R HA 0.450 4.790 4.340 -0.000 0.000 0.288 160 R C 0.582 176.744 176.300 -0.230 0.000 1.004 160 R CA -0.500 55.416 56.100 -0.307 0.000 0.895 160 R CB 1.723 31.525 30.300 -0.830 0.000 1.191 160 R HN 0.663 nan 8.270 nan 0.000 0.444 161 G N 1.051 109.799 108.800 -0.088 0.000 2.516 161 G HA2 0.035 3.994 3.960 -0.000 0.000 0.276 161 G HA3 0.035 3.994 3.960 -0.000 0.000 0.276 161 G C 0.702 175.494 174.900 -0.179 0.000 1.390 161 G CA -0.199 44.888 45.100 -0.022 0.000 1.050 161 G HN 0.383 nan 8.290 nan 0.000 0.519 162 K N -0.244 120.149 120.400 -0.012 0.000 2.209 162 K HA -0.054 4.266 4.320 -0.000 0.000 0.204 162 K C 2.130 178.718 176.600 -0.021 0.000 1.048 162 K CA 1.634 57.910 56.287 -0.019 0.000 0.940 162 K CB -0.183 32.350 32.500 0.055 0.000 0.729 162 K HN 0.728 nan 8.250 nan 0.000 0.451 163 W N -0.521 120.811 121.300 0.053 0.000 2.331 163 W HA -0.263 4.396 4.660 -0.000 0.000 0.291 163 W C 1.320 177.874 176.519 0.059 0.000 1.214 163 W CA 0.551 57.923 57.345 0.046 0.000 1.228 163 W CB -1.280 28.204 29.460 0.040 0.000 1.135 163 W HN 0.069 nan 8.180 nan 0.000 0.537 164 Y N 2.545 122.149 120.300 -1.159 0.000 2.207 164 Y HA -0.076 4.474 4.550 -0.000 0.000 0.287 164 Y C 2.888 178.516 175.900 -0.455 0.000 1.156 164 Y CA 2.680 60.118 58.100 -1.102 0.000 1.182 164 Y CB -0.867 36.963 38.460 -1.049 0.000 0.979 164 Y HN -0.026 nan 8.280 nan 0.000 0.521 165 G N -1.296 107.404 108.800 -0.167 0.000 2.776 165 G HA2 -0.163 3.796 3.960 -0.000 0.000 0.209 165 G HA3 -0.163 3.796 3.960 -0.000 0.000 0.209 165 G C 1.448 176.298 174.900 -0.083 0.000 1.145 165 G CA 0.383 45.420 45.100 -0.106 0.000 0.791 165 G HN 0.226 nan 8.290 nan 0.000 0.530 166 K N 0.008 120.372 120.400 -0.060 0.000 2.358 166 K HA 0.234 4.554 4.320 -0.000 0.000 0.200 166 K C 0.889 177.483 176.600 -0.009 0.000 1.030 166 K CA -0.151 56.135 56.287 -0.001 0.000 1.097 166 K CB 0.793 33.331 32.500 0.064 0.000 0.862 166 K HN 0.183 nan 8.250 nan 0.000 0.534 167 S N -0.042 115.584 115.700 -0.123 0.000 2.617 167 S HA 0.097 4.566 4.470 -0.000 0.000 0.283 167 S C 1.166 175.624 174.600 -0.236 0.000 1.189 167 S CA -0.937 57.159 58.200 -0.173 0.000 1.036 167 S CB 0.303 63.291 63.200 -0.354 0.000 1.014 167 S HN 0.448 nan 8.310 nan 0.000 0.522 168 W N 3.462 124.726 121.300 -0.059 0.000 2.389 168 W HA -0.138 4.522 4.660 -0.000 0.000 0.267 168 W C 0.782 177.230 176.519 -0.120 0.000 1.219 168 W CA 0.847 58.152 57.345 -0.066 0.000 1.189 168 W CB -0.761 28.698 29.460 -0.001 0.000 1.129 168 W HN 0.702 nan 8.180 nan 0.000 0.581 169 K N 1.189 120.943 120.400 -1.077 0.000 2.211 169 K HA -0.123 4.197 4.320 -0.000 0.000 0.203 169 K C 2.039 178.297 176.600 -0.570 0.000 1.050 169 K CA 1.951 57.521 56.287 -1.194 0.000 0.945 169 K CB -0.223 31.343 32.500 -1.557 0.000 0.732 169 K HN 0.236 nan 8.250 nan 0.000 0.451 170 V N -1.546 118.101 119.914 -0.446 0.000 3.647 170 V HA 0.075 4.195 4.120 -0.000 0.000 0.279 170 V C 0.108 176.148 176.094 -0.090 0.000 1.314 170 V CA -0.153 62.027 62.300 -0.199 0.000 1.125 170 V CB -0.151 31.577 31.823 -0.158 0.000 0.907 170 V HN 0.014 nan 8.190 nan 0.000 0.434 171 D N 1.723 122.090 120.400 -0.055 0.000 2.365 171 D HA 0.083 4.723 4.640 -0.000 0.000 0.237 171 D C 1.258 177.563 176.300 0.008 0.000 1.190 171 D CA 0.211 54.207 54.000 -0.006 0.000 0.867 171 D CB 1.474 42.286 40.800 0.019 0.000 1.050 171 D HN 0.585 nan 8.370 nan 0.000 0.491 172 E N 3.450 123.651 120.200 0.002 0.000 2.130 172 E HA -0.268 4.081 4.350 -0.000 0.000 0.196 172 E C 1.549 178.156 176.600 0.011 0.000 0.998 172 E CA 1.381 57.785 56.400 0.007 0.000 0.806 172 E CB 0.070 29.776 29.700 0.012 0.000 0.738 172 E HN 0.525 nan 8.360 nan 0.000 0.459 173 A N 0.673 123.498 122.820 0.007 0.000 2.024 173 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 173 A C 1.953 179.491 177.584 -0.077 0.000 1.164 173 A CA 1.595 53.632 52.037 0.001 0.000 0.643 173 A CB -0.219 18.775 19.000 -0.011 0.000 0.806 173 A HN 0.200 nan 8.150 nan 0.000 0.451 174 K N -0.784 119.547 120.400 -0.116 0.000 2.244 174 K HA 0.009 4.329 4.320 -0.000 0.000 0.200 174 K C 2.099 178.785 176.600 0.144 0.000 1.052 174 K CA 1.134 57.274 56.287 -0.245 0.000 0.980 174 K CB 0.089 32.460 32.500 -0.215 0.000 0.838 174 K HN 0.576 nan 8.250 nan 0.000 0.481 175 S N -0.854 114.971 115.700 0.208 0.000 2.502 175 S HA 0.150 4.620 4.470 -0.000 0.000 0.215 175 S C 1.494 176.139 174.600 0.074 0.000 1.009 175 S CA 0.549 58.928 58.200 0.299 0.000 0.908 175 S CB 0.680 63.995 63.200 0.191 0.000 0.801 175 S HN 0.390 nan 8.310 nan 0.000 0.505 176 G N 0.665 109.457 108.800 -0.014 0.000 2.179 176 G HA2 0.209 4.169 3.960 -0.000 0.000 0.260 176 G HA3 0.209 4.169 3.960 -0.000 0.000 0.260 176 G C 1.044 175.892 174.900 -0.087 0.000 0.977 176 G CA 0.156 45.184 45.100 -0.120 0.000 0.641 176 G HN 1.983 nan 8.290 nan 0.000 0.533 177 G N -1.831 106.950 108.800 -0.032 0.000 2.663 177 G HA2 0.106 4.066 3.960 -0.000 0.000 0.686 177 G HA3 0.106 4.066 3.960 -0.000 0.000 0.686 177 G C 0.605 175.502 174.900 -0.004 0.000 1.288 177 G CA 0.028 45.117 45.100 -0.018 0.000 0.836 177 G HN 1.164 nan 8.290 nan 0.000 0.584 178 L N 0.683 121.919 121.223 0.021 0.000 2.013 178 L HA -0.052 4.288 4.340 -0.000 0.000 0.212 178 L C 3.327 180.224 176.870 0.044 0.000 1.073 178 L CA 2.979 57.847 54.840 0.047 0.000 0.753 178 L CB -0.624 41.465 42.059 0.051 0.000 0.890 178 L HN 1.149 nan 8.230 nan 0.000 0.432 179 A N -1.333 121.518 122.820 0.052 0.000 1.978 179 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 179 A C 2.204 179.763 177.584 -0.042 0.000 1.170 179 A CA 2.347 54.417 52.037 0.055 0.000 0.636 179 A CB -0.816 18.231 19.000 0.078 0.000 0.810 179 A HN 0.492 nan 8.150 nan 0.000 0.448 180 T N -0.284 114.223 114.554 -0.080 0.000 2.706 180 T HA -0.100 4.250 4.350 -0.000 0.000 0.255 180 T C 1.999 176.653 174.700 -0.076 0.000 1.048 180 T CA 1.427 63.453 62.100 -0.123 0.000 1.153 180 T CB -0.456 68.317 68.868 -0.158 0.000 0.865 180 T HN 0.613 nan 8.240 nan 0.000 0.414 181 N N 0.999 119.692 118.700 -0.012 0.000 2.043 181 N HA -0.085 4.654 4.740 -0.000 0.000 0.193 181 N C 1.716 177.286 175.510 0.099 0.000 1.037 181 N CA 1.469 54.555 53.050 0.060 0.000 0.851 181 N CB -0.276 38.255 38.487 0.072 0.000 1.027 181 N HN 0.264 nan 8.380 nan 0.000 0.422 182 I N -0.590 120.040 120.570 0.099 0.000 2.296 182 I HA 0.085 4.255 4.170 -0.000 0.000 0.242 182 I C 2.446 178.544 176.117 -0.031 0.000 1.087 182 I CA 1.140 62.533 61.300 0.154 0.000 1.393 182 I CB -1.807 36.298 38.000 0.175 0.000 1.093 182 I HN 0.210 nan 8.210 nan 0.000 0.421 183 G N 1.899 110.579 108.800 -0.200 0.000 2.507 183 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.221 183 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.221 183 G C 1.779 176.117 174.900 -0.937 0.000 1.119 183 G CA 0.927 45.556 45.100 -0.786 0.000 0.751 183 G HN 0.342 nan 8.290 nan 0.000 0.574 184 I N 0.236 120.560 120.570 -0.409 0.000 2.315 184 I HA -0.217 3.953 4.170 -0.000 0.000 0.251 184 I C 2.528 178.397 176.117 -0.413 0.000 1.125 184 I CA 1.400 62.499 61.300 -0.336 0.000 1.392 184 I CB -0.175 37.660 38.000 -0.276 0.000 1.065 184 I HN 0.259 nan 8.210 nan 0.000 0.424 185 H N 0.035 118.926 119.070 -0.299 0.000 2.352 185 H HA -0.206 4.350 4.556 -0.000 0.000 0.299 185 H C 2.212 177.417 175.328 -0.206 0.000 1.097 185 H CA 2.321 58.267 56.048 -0.171 0.000 1.311 185 H CB -0.789 28.992 29.762 0.031 0.000 1.377 185 H HN 0.606 nan 8.280 nan 0.000 0.504 186 F N -0.675 119.091 119.950 -0.306 0.000 2.293 186 F HA 0.020 4.547 4.527 -0.000 0.000 0.297 186 F C 1.983 177.556 175.800 -0.379 0.000 1.089 186 F CA 0.203 57.992 58.000 -0.353 0.000 1.377 186 F CB -0.955 37.766 39.000 -0.466 0.000 1.051 186 F HN -0.182 nan 8.300 nan 0.000 0.511 187 F N 1.676 121.256 119.950 -0.617 0.000 2.269 187 F HA -0.065 4.462 4.527 -0.000 0.000 0.301 187 F C 2.178 177.848 175.800 -0.217 0.000 1.082 187 F CA 1.299 59.036 58.000 -0.438 0.000 1.360 187 F CB -1.032 37.603 39.000 -0.608 0.000 1.041 187 F HN 0.184 nan 8.300 nan 0.000 0.512 188 D N -0.256 120.096 120.400 -0.079 0.000 2.162 188 D HA -0.119 4.521 4.640 -0.000 0.000 0.205 188 D C 2.195 178.485 176.300 -0.016 0.000 0.964 188 D CA 0.442 54.399 54.000 -0.071 0.000 0.847 188 D CB -0.065 40.636 40.800 -0.164 0.000 0.988 188 D HN 0.062 nan 8.370 nan 0.000 0.480 189 L N 0.551 121.767 121.223 -0.013 0.000 1.990 189 L HA -0.165 4.175 4.340 -0.000 0.000 0.213 189 L C 2.027 178.980 176.870 0.139 0.000 1.072 189 L CA 1.764 56.651 54.840 0.077 0.000 0.755 189 L CB -0.726 41.361 42.059 0.045 0.000 0.889 189 L HN 0.213 nan 8.230 nan 0.000 0.432 190 L N -0.718 120.588 121.223 0.139 0.000 2.083 190 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 190 L C 2.682 179.661 176.870 0.182 0.000 1.083 190 L CA 1.187 56.152 54.840 0.208 0.000 0.752 190 L CB -0.992 41.246 42.059 0.298 0.000 0.899 190 L HN 0.404 nan 8.230 nan 0.000 0.433 191 A N -0.722 122.186 122.820 0.146 0.000 1.933 191 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 191 A C 2.023 179.688 177.584 0.135 0.000 1.175 191 A CA 1.459 53.570 52.037 0.123 0.000 0.628 191 A CB -0.986 18.061 19.000 0.078 0.000 0.814 191 A HN 0.616 nan 8.150 nan 0.000 0.444 192 W N 0.552 121.797 121.300 -0.093 0.000 2.358 192 W HA -0.091 4.569 4.660 -0.000 0.000 0.303 192 W C 1.726 178.130 176.519 -0.191 0.000 1.208 192 W CA 1.697 58.966 57.345 -0.126 0.000 1.274 192 W CB -0.358 29.008 29.460 -0.157 0.000 1.138 192 W HN 0.244 nan 8.180 nan 0.000 0.515 193 L N -1.206 119.838 121.223 -0.297 0.000 2.179 193 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 193 L C 1.451 177.865 176.870 -0.761 0.000 1.096 193 L CA 0.870 55.209 54.840 -0.835 0.000 0.779 193 L CB -0.465 40.796 42.059 -1.331 0.000 0.922 193 L HN -0.110 nan 8.230 nan 0.000 0.443 194 F N -1.333 118.601 119.950 -0.025 0.000 2.856 194 F HA 0.442 4.969 4.527 -0.000 0.000 0.338 194 F C 1.213 177.014 175.800 0.001 0.000 1.100 194 F CA 0.069 58.062 58.000 -0.012 0.000 1.150 194 F CB 0.016 39.022 39.000 0.010 0.000 1.101 194 F HN 0.038 nan 8.300 nan 0.000 0.548 195 G N 1.342 110.230 108.800 0.146 0.000 2.568 195 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.222 195 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.222 195 G C -0.233 174.721 174.900 0.090 0.000 1.321 195 G CA -0.525 44.634 45.100 0.098 0.000 0.893 195 G HN 0.386 nan 8.290 nan 0.000 0.569 196 R N 0.748 121.285 120.500 0.062 0.000 2.543 196 R HA 0.539 4.879 4.340 -0.000 0.000 0.277 196 R C 0.703 177.026 176.300 0.039 0.000 1.074 196 R CA 0.276 56.401 56.100 0.042 0.000 1.076 196 R CB 0.259 30.577 30.300 0.030 0.000 0.993 196 R HN 1.555 nan 8.270 nan 0.000 0.459 197 A N 5.351 128.181 122.820 0.017 0.000 2.404 197 A HA 0.209 4.529 4.320 -0.000 0.000 0.273 197 A C 0.822 178.414 177.584 0.012 0.000 1.144 197 A CA -0.394 51.644 52.037 0.002 0.000 0.806 197 A CB 0.268 19.243 19.000 -0.042 0.000 1.080 197 A HN 0.899 nan 8.150 nan 0.000 0.509 198 L N 1.064 122.308 121.223 0.035 0.000 2.463 198 L HA 0.201 4.541 4.340 -0.000 0.000 0.219 198 L C 0.570 177.516 176.870 0.127 0.000 1.088 198 L CA 0.352 55.230 54.840 0.063 0.000 0.849 198 L CB -0.047 42.048 42.059 0.060 0.000 1.012 198 L HN 0.888 nan 8.230 nan 0.000 0.468 199 H N -0.754 118.311 119.070 -0.008 0.000 2.954 199 H HA 0.593 5.149 4.556 -0.000 0.000 0.361 199 H C -1.662 173.668 175.328 0.003 0.000 1.122 199 H CA -0.760 55.296 56.048 0.014 0.000 1.217 199 H CB 1.823 31.610 29.762 0.043 0.000 1.776 199 H HN -0.294 nan 8.280 nan 0.000 0.533 200 V N 4.928 124.526 119.914 -0.528 0.000 2.638 200 V HA 0.422 4.542 4.120 -0.000 0.000 0.306 200 V C -0.692 175.185 176.094 -0.362 0.000 1.052 200 V CA -0.703 61.400 62.300 -0.327 0.000 0.885 200 V CB 1.787 33.506 31.823 -0.174 0.000 0.999 200 V HN 0.844 nan 8.190 nan 0.000 0.424 201 E N 2.833 122.940 120.200 -0.156 0.000 2.343 201 E HA 0.727 5.077 4.350 -0.000 0.000 0.270 201 E C -1.672 174.856 176.600 -0.120 0.000 0.895 201 E CA -0.898 55.461 56.400 -0.068 0.000 0.767 201 E CB 3.099 32.868 29.700 0.114 0.000 1.248 201 E HN 0.376 nan 8.360 nan 0.000 0.440 202 V N 2.119 121.976 119.914 -0.095 0.000 2.409 202 V HA 0.203 4.323 4.120 -0.000 0.000 0.291 202 V C -0.183 175.845 176.094 -0.110 0.000 1.020 202 V CA -0.422 61.791 62.300 -0.145 0.000 0.848 202 V CB 0.947 32.774 31.823 0.006 0.000 0.990 202 V HN 0.765 nan 8.190 nan 0.000 0.430 203 H N 2.628 121.644 119.070 -0.091 0.000 2.604 203 H HA 0.655 5.210 4.556 -0.000 0.000 0.273 203 H C 0.704 175.999 175.328 -0.055 0.000 0.971 203 H CA 0.553 56.562 56.048 -0.064 0.000 1.249 203 H CB 0.873 30.592 29.762 -0.071 0.000 1.449 203 H HN 0.681 nan 8.280 nan 0.000 0.512 204 A N 1.112 123.924 122.820 -0.013 0.000 2.486 204 A HA 0.666 4.986 4.320 -0.000 0.000 0.300 204 A C -1.003 176.558 177.584 -0.038 0.000 1.048 204 A CA -0.760 51.270 52.037 -0.011 0.000 0.696 204 A CB 1.600 20.596 19.000 -0.007 0.000 1.278 204 A HN 0.304 nan 8.150 nan 0.000 0.405 205 R N 1.457 121.956 120.500 -0.003 0.000 2.797 205 R HA 0.485 4.825 4.340 -0.000 0.000 0.274 205 R C -0.497 175.811 176.300 0.013 0.000 1.652 205 R CA 0.414 56.519 56.100 0.009 0.000 1.175 205 R CB 1.020 31.336 30.300 0.028 0.000 1.283 205 R HN 1.032 nan 8.270 nan 0.000 0.513 206 T N -0.773 113.784 114.554 0.005 0.000 2.883 206 T HA 0.523 4.873 4.350 -0.000 0.000 0.284 206 T C -2.055 172.655 174.700 0.017 0.000 1.041 206 T CA -1.831 60.280 62.100 0.018 0.000 1.007 206 T CB 1.826 70.714 68.868 0.033 0.000 1.220 206 T HN 0.114 nan 8.240 nan 0.000 0.552 207 P HA 0.089 nan 4.420 nan 0.000 0.226 207 P C 1.170 178.484 177.300 0.024 0.000 1.153 207 P CA 0.823 63.936 63.100 0.022 0.000 0.777 207 P CB -0.051 31.661 31.700 0.020 0.000 0.794 208 T N -5.479 109.092 114.554 0.030 0.000 2.985 208 T HA 0.263 4.613 4.350 -0.000 0.000 0.254 208 T C 0.416 175.112 174.700 -0.006 0.000 1.021 208 T CA -0.077 62.044 62.100 0.036 0.000 0.957 208 T CB -0.023 68.901 68.868 0.093 0.000 1.047 208 T HN -0.219 nan 8.240 nan 0.000 0.511 209 V N 1.566 121.444 119.914 -0.060 0.000 2.760 209 V HA 0.499 4.619 4.120 -0.000 0.000 0.309 209 V C -1.297 174.677 176.094 -0.200 0.000 1.077 209 V CA -1.093 61.062 62.300 -0.241 0.000 0.910 209 V CB 2.088 33.759 31.823 -0.253 0.000 1.008 209 V HN 0.373 nan 8.190 nan 0.000 0.424 210 N N 1.784 120.327 118.700 -0.261 0.000 2.249 210 N HA 0.847 5.586 4.740 -0.000 0.000 0.296 210 N C -1.001 174.330 175.510 -0.299 0.000 1.051 210 N CA -0.404 52.594 53.050 -0.086 0.000 0.815 210 N CB 2.569 41.198 38.487 0.236 0.000 1.487 210 N HN 0.889 nan 8.380 nan 0.000 0.475 211 A N 0.876 123.384 122.820 -0.520 0.000 2.572 211 A HA 0.940 5.260 4.320 -0.000 0.000 0.295 211 A C -0.510 176.270 177.584 -1.339 0.000 1.072 211 A CA -0.391 51.076 52.037 -0.949 0.000 0.691 211 A CB 1.846 20.619 19.000 -0.379 0.000 1.291 211 A HN 0.779 nan 8.150 nan 0.000 0.404 212 G N -0.838 106.769 108.800 -1.989 0.000 2.529 212 G HA2 0.559 4.518 3.960 -0.000 0.000 0.238 212 G HA3 0.559 4.518 3.960 -0.000 0.000 0.238 212 G C -2.046 172.335 174.900 -0.866 0.000 1.207 212 G CA 0.078 44.307 45.100 -1.451 0.000 0.928 212 G HN 1.827 nan 8.290 nan 0.000 0.495 213 Y N -0.216 119.855 120.300 -0.382 0.000 2.482 213 Y HA 0.742 5.292 4.550 -0.000 0.000 0.334 213 Y C -1.594 174.457 175.900 0.251 0.000 1.091 213 Y CA -1.042 57.110 58.100 0.086 0.000 1.027 213 Y CB 1.547 40.112 38.460 0.175 0.000 1.306 213 Y HN 0.545 nan 8.280 nan 0.000 0.446 214 L N 5.067 126.149 121.223 -0.235 0.000 2.381 214 L HA 0.617 4.957 4.340 -0.000 0.000 0.268 214 L C -1.006 175.542 176.870 -0.536 0.000 0.997 214 L CA -0.932 53.757 54.840 -0.251 0.000 0.818 214 L CB 2.450 44.519 42.059 0.016 0.000 1.310 214 L HN 0.613 nan 8.230 nan 0.000 0.416 215 E N 3.236 123.271 120.200 -0.276 0.000 2.165 215 E HA 0.600 4.950 4.350 -0.000 0.000 0.266 215 E C -1.189 175.388 176.600 -0.039 0.000 0.889 215 E CA -0.477 55.835 56.400 -0.146 0.000 0.756 215 E CB 2.317 32.007 29.700 -0.018 0.000 1.131 215 E HN 0.350 nan 8.360 nan 0.000 0.411 216 L N 2.090 123.294 121.223 -0.032 0.000 2.304 216 L HA 0.320 4.660 4.340 -0.000 0.000 0.268 216 L C 1.508 178.394 176.870 0.027 0.000 1.010 216 L CA -0.654 54.199 54.840 0.021 0.000 0.813 216 L CB 1.176 43.278 42.059 0.072 0.000 1.315 216 L HN 0.648 nan 8.230 nan 0.000 0.445 217 E N 1.431 121.662 120.200 0.052 0.000 2.108 217 E HA -0.223 4.127 4.350 -0.000 0.000 0.203 217 E C 1.374 178.002 176.600 0.047 0.000 1.022 217 E CA 1.869 58.299 56.400 0.050 0.000 0.823 217 E CB 0.002 29.738 29.700 0.060 0.000 0.744 217 E HN 0.898 nan 8.360 nan 0.000 0.456 218 G N -1.050 107.798 108.800 0.080 0.000 3.324 218 G HA2 0.505 4.465 3.960 -0.000 0.000 0.251 218 G HA3 0.505 4.465 3.960 -0.000 0.000 0.251 218 G C -0.246 174.555 174.900 -0.165 0.000 1.072 218 G CA 0.364 45.503 45.100 0.066 0.000 0.787 218 G HN 0.331 nan 8.290 nan 0.000 0.537 219 A N 0.421 123.078 122.820 -0.271 0.000 2.597 219 A HA 0.731 5.050 4.320 -0.000 0.000 0.292 219 A C -0.757 176.678 177.584 -0.247 0.000 1.057 219 A CA -1.019 50.729 52.037 -0.482 0.000 0.674 219 A CB 1.024 19.238 19.000 -1.309 0.000 1.278 219 A HN 0.415 nan 8.150 nan 0.000 0.416 220 R N 0.303 120.702 120.500 -0.167 0.000 2.540 220 R HA 0.836 5.176 4.340 -0.000 0.000 0.287 220 R C -1.443 174.835 176.300 -0.036 0.000 0.980 220 R CA -0.647 55.401 56.100 -0.087 0.000 0.966 220 R CB 1.576 31.937 30.300 0.101 0.000 1.106 220 R HN 0.464 nan 8.270 nan 0.000 0.480 221 V N 2.596 122.503 119.914 -0.012 0.000 2.569 221 V HA 0.421 4.541 4.120 -0.000 0.000 0.301 221 V C -0.368 175.935 176.094 0.349 0.000 1.044 221 V CA -0.906 61.489 62.300 0.158 0.000 0.874 221 V CB 1.707 33.655 31.823 0.207 0.000 1.002 221 V HN 0.748 nan 8.190 nan 0.000 0.424 222 R N 5.009 125.735 120.500 0.375 0.000 2.312 222 R HA 0.601 4.941 4.340 -0.000 0.000 0.311 222 R C -0.981 175.594 176.300 0.459 0.000 1.004 222 R CA -0.430 55.916 56.100 0.410 0.000 0.902 222 R CB 1.637 32.099 30.300 0.269 0.000 1.073 222 R HN 0.852 nan 8.270 nan 0.000 0.457 223 W N 3.129 124.609 121.300 0.299 0.000 2.950 223 W HA 0.580 5.240 4.660 -0.000 0.000 0.340 223 W C -2.019 174.448 176.519 -0.086 0.000 1.139 223 W CA -1.416 55.992 57.345 0.106 0.000 1.188 223 W CB 0.776 30.269 29.460 0.056 0.000 1.426 223 W HN 0.455 nan 8.180 nan 0.000 0.531 224 F N 4.237 123.973 119.950 -0.356 0.000 2.573 224 F HA 0.595 5.122 4.527 -0.000 0.000 0.316 224 F C -2.042 173.605 175.800 -0.256 0.000 1.148 224 F CA -0.990 56.654 58.000 -0.593 0.000 0.940 224 F CB 1.628 39.803 39.000 -1.376 0.000 1.214 224 F HN 0.295 nan 8.300 nan 0.000 0.448 225 L N 5.313 126.215 121.223 -0.535 0.000 2.385 225 L HA 0.846 5.186 4.340 -0.000 0.000 0.273 225 L C -1.394 175.202 176.870 -0.457 0.000 0.990 225 L CA -0.134 54.563 54.840 -0.238 0.000 0.821 225 L CB 1.929 44.076 42.059 0.147 0.000 1.279 225 L HN 0.535 nan 8.230 nan 0.000 0.412 226 S N 3.385 118.971 115.700 -0.190 0.000 2.546 226 S HA 0.585 5.055 4.470 -0.000 0.000 0.274 226 S C 0.398 175.013 174.600 0.026 0.000 1.121 226 S CA -0.528 57.608 58.200 -0.107 0.000 0.887 226 S CB 1.156 64.347 63.200 -0.015 0.000 1.094 226 S HN 0.744 nan 8.310 nan 0.000 0.474 227 I N -0.075 120.487 120.570 -0.013 0.000 3.956 227 I HA 0.451 4.621 4.170 -0.000 0.000 0.333 227 I C 0.207 176.300 176.117 -0.041 0.000 1.302 227 I CA -0.244 60.990 61.300 -0.109 0.000 1.122 227 I CB 0.086 37.897 38.000 -0.314 0.000 1.013 227 I HN 0.362 nan 8.210 nan 0.000 0.405 228 D N 3.772 124.242 120.400 0.117 0.000 2.339 228 D HA 0.189 4.829 4.640 -0.000 0.000 0.241 228 D C -1.494 174.916 176.300 0.184 0.000 1.183 228 D CA -2.457 51.632 54.000 0.148 0.000 0.859 228 D CB 1.591 42.532 40.800 0.234 0.000 1.067 228 D HN 0.002 nan 8.370 nan 0.000 0.484 229 P HA -0.153 nan 4.420 nan 0.000 0.219 229 P C 1.217 178.539 177.300 0.037 0.000 1.146 229 P CA 0.870 64.007 63.100 0.062 0.000 0.808 229 P CB -0.043 31.667 31.700 0.016 0.000 0.779 230 S N -2.067 113.601 115.700 -0.055 0.000 2.584 230 S HA -0.075 4.395 4.470 -0.000 0.000 0.240 230 S C 1.330 175.778 174.600 -0.252 0.000 0.975 230 S CA 0.510 58.603 58.200 -0.179 0.000 0.949 230 S CB -1.447 61.582 63.200 -0.285 0.000 0.761 230 S HN -0.015 nan 8.310 nan 0.000 0.536 231 F N 1.360 121.355 119.950 0.074 0.000 2.749 231 F HA 0.376 4.903 4.527 -0.000 0.000 0.300 231 F C 0.780 176.666 175.800 0.143 0.000 1.103 231 F CA -0.640 57.422 58.000 0.103 0.000 1.342 231 F CB -0.037 39.168 39.000 0.341 0.000 1.098 231 F HN -0.024 nan 8.300 nan 0.000 0.586 232 V N 3.298 123.362 119.914 0.251 0.000 2.584 232 V HA -0.052 4.068 4.120 -0.000 0.000 0.303 232 V C -1.874 174.223 176.094 0.004 0.000 1.035 232 V CA -1.357 61.033 62.300 0.150 0.000 1.172 232 V CB -0.302 31.564 31.823 0.071 0.000 0.896 232 V HN -0.079 nan 8.190 nan 0.000 0.486 233 P HA -0.015 nan 4.420 nan 0.000 0.264 233 P C 0.941 178.161 177.300 -0.134 0.000 1.183 233 P CA 0.173 63.193 63.100 -0.133 0.000 0.763 233 P CB 0.442 32.036 31.700 -0.177 0.000 0.807 234 E N 4.776 124.898 120.200 -0.130 0.000 2.273 234 E HA -0.206 4.144 4.350 -0.000 0.000 0.198 234 E C -1.008 175.538 176.600 -0.090 0.000 1.002 234 E CA 1.417 57.753 56.400 -0.106 0.000 0.828 234 E CB -0.971 28.668 29.700 -0.102 0.000 0.747 234 E HN 0.374 nan 8.360 nan 0.000 0.491 235 P HA -0.134 nan 4.420 nan 0.000 0.213 235 P C 1.298 178.548 177.300 -0.083 0.000 1.170 235 P CA 1.055 64.107 63.100 -0.081 0.000 0.893 235 P CB -0.064 31.586 31.700 -0.084 0.000 0.784 236 L N -1.361 119.795 121.223 -0.112 0.000 2.456 236 L HA -0.083 4.257 4.340 -0.000 0.000 0.224 236 L C 2.695 179.523 176.870 -0.070 0.000 1.148 236 L CA 1.066 55.846 54.840 -0.099 0.000 0.825 236 L CB -0.464 41.503 42.059 -0.153 0.000 0.937 236 L HN -0.089 nan 8.230 nan 0.000 0.450 237 R N 1.021 121.478 120.500 -0.072 0.000 2.052 237 R HA -0.117 4.222 4.340 -0.000 0.000 0.224 237 R C 2.365 178.638 176.300 -0.046 0.000 1.165 237 R CA 1.344 57.410 56.100 -0.056 0.000 0.939 237 R CB -0.221 30.038 30.300 -0.068 0.000 0.834 237 R HN 0.322 nan 8.270 nan 0.000 0.435 238 R N 0.839 121.308 120.500 -0.051 0.000 2.350 238 R HA -0.180 4.160 4.340 -0.000 0.000 0.246 238 R C 0.798 177.079 176.300 -0.032 0.000 1.182 238 R CA 1.870 57.945 56.100 -0.041 0.000 1.030 238 R CB -0.322 29.953 30.300 -0.042 0.000 0.861 238 R HN 0.453 nan 8.270 nan 0.000 0.483 239 Q N 0.125 119.907 119.800 -0.031 0.000 2.188 239 Q HA 0.214 4.554 4.340 -0.000 0.000 0.212 239 Q C 0.318 176.308 176.000 -0.016 0.000 0.846 239 Q CA 0.119 55.909 55.803 -0.022 0.000 0.989 239 Q CB 1.274 29.998 28.738 -0.022 0.000 1.114 239 Q HN 0.520 nan 8.270 nan 0.000 0.488 240 G N 1.990 110.780 108.800 -0.018 0.000 2.323 240 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.292 240 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.292 240 G C -0.382 174.516 174.900 -0.003 0.000 1.040 240 G CA 0.155 45.250 45.100 -0.009 0.000 0.942 240 G HN 0.059 nan 8.290 nan 0.000 0.506 241 K N -0.871 119.525 120.400 -0.007 0.000 2.144 241 K HA 0.684 5.004 4.320 -0.000 0.000 0.270 241 K C 1.268 177.877 176.600 0.013 0.000 1.005 241 K CA -0.660 55.629 56.287 0.003 0.000 0.932 241 K CB 0.942 33.440 32.500 -0.004 0.000 1.021 241 K HN 0.291 nan 8.250 nan 0.000 0.462 242 R N -0.186 120.330 120.500 0.026 0.000 2.531 242 R HA 0.191 4.531 4.340 -0.000 0.000 0.316 242 R C -0.430 175.897 176.300 0.045 0.000 0.955 242 R CA 0.027 56.147 56.100 0.033 0.000 1.120 242 R CB 1.145 31.461 30.300 0.027 0.000 1.361 242 R HN 0.458 nan 8.270 nan 0.000 0.534 243 T N 0.320 114.901 114.554 0.044 0.000 2.824 243 T HA 0.354 4.703 4.350 -0.000 0.000 0.282 243 T C -1.926 172.824 174.700 0.083 0.000 0.993 243 T CA -0.360 61.758 62.100 0.031 0.000 0.967 243 T CB 1.718 70.575 68.868 -0.019 0.000 0.960 243 T HN 0.000 nan 8.240 nan 0.000 0.441 244 Y N 3.043 123.274 120.300 -0.116 0.000 2.315 244 Y HA 0.533 5.082 4.550 -0.000 0.000 0.324 244 Y C -0.925 174.789 175.900 -0.311 0.000 1.062 244 Y CA -1.350 56.661 58.100 -0.148 0.000 1.159 244 Y CB 0.979 39.423 38.460 -0.026 0.000 1.145 244 Y HN 0.538 nan 8.280 nan 0.000 0.442 245 R N 4.325 124.336 120.500 -0.815 0.000 2.358 245 R HA 0.544 4.884 4.340 -0.000 0.000 0.309 245 R C -1.071 174.450 176.300 -1.298 0.000 1.026 245 R CA -0.651 54.681 56.100 -1.281 0.000 0.909 245 R CB 1.639 30.919 30.300 -1.701 0.000 1.153 245 R HN 0.574 nan 8.270 nan 0.000 0.515 246 S N 3.955 119.058 115.700 -0.994 0.000 2.557 246 S HA 0.523 4.993 4.470 -0.000 0.000 0.291 246 S C -0.817 173.710 174.600 -0.122 0.000 1.116 246 S CA -0.755 57.159 58.200 -0.475 0.000 0.992 246 S CB 1.177 64.119 63.200 -0.430 0.000 1.028 246 S HN 0.610 nan 8.310 nan 0.000 0.484 247 I N 4.489 125.141 120.570 0.136 0.000 2.410 247 I HA 0.703 4.873 4.170 -0.000 0.000 0.286 247 I C -0.402 175.791 176.117 0.126 0.000 1.009 247 I CA -0.665 60.737 61.300 0.170 0.000 1.111 247 I CB 1.146 39.305 38.000 0.266 0.000 1.262 247 I HN 0.830 nan 8.210 nan 0.000 0.443 248 A N 7.336 130.211 122.820 0.092 0.000 2.276 248 A HA 0.678 4.998 4.320 -0.000 0.000 0.316 248 A C -0.982 176.654 177.584 0.087 0.000 1.229 248 A CA -0.427 51.658 52.037 0.080 0.000 0.851 248 A CB 1.172 20.203 19.000 0.052 0.000 1.165 248 A HN 0.488 nan 8.150 nan 0.000 0.513 249 V N 3.554 123.523 119.914 0.092 0.000 2.326 249 V HA 0.295 4.415 4.120 -0.000 0.000 0.281 249 V C -0.680 175.451 176.094 0.062 0.000 1.015 249 V CA -0.524 61.833 62.300 0.095 0.000 0.823 249 V CB 0.668 32.586 31.823 0.158 0.000 1.009 249 V HN 0.990 nan 8.190 nan 0.000 0.436 250 D N 4.668 125.091 120.400 0.037 0.000 2.737 250 D HA -0.191 4.449 4.640 -0.000 0.000 0.238 250 D C 1.361 177.680 176.300 0.031 0.000 1.157 250 D CA 1.625 55.642 54.000 0.027 0.000 0.694 250 D CB -1.020 39.795 40.800 0.026 0.000 1.021 250 D HN 1.284 nan 8.370 nan 0.000 0.420 251 G N 0.330 109.149 108.800 0.031 0.000 2.377 251 G HA2 -0.376 3.583 3.960 -0.000 0.000 0.250 251 G HA3 -0.376 3.583 3.960 -0.000 0.000 0.250 251 G C 0.205 175.129 174.900 0.040 0.000 1.039 251 G CA 0.874 45.993 45.100 0.031 0.000 0.625 251 G HN 0.756 nan 8.290 nan 0.000 0.526 252 E N 1.281 121.508 120.200 0.046 0.000 2.194 252 E HA 0.612 4.962 4.350 -0.000 0.000 0.284 252 E C -0.215 176.424 176.600 0.065 0.000 1.035 252 E CA -0.565 55.866 56.400 0.053 0.000 0.836 252 E CB 0.964 30.694 29.700 0.050 0.000 1.070 252 E HN 0.376 nan 8.360 nan 0.000 0.401 253 E N 3.141 123.383 120.200 0.070 0.000 2.174 253 E HA 0.218 4.568 4.350 -0.000 0.000 0.282 253 E C -0.806 175.849 176.600 0.092 0.000 0.992 253 E CA -0.810 55.641 56.400 0.084 0.000 0.803 253 E CB 1.783 31.538 29.700 0.091 0.000 1.090 253 E HN 0.442 nan 8.360 nan 0.000 0.396 254 V N 2.963 122.943 119.914 0.110 0.000 2.427 254 V HA 0.267 4.387 4.120 -0.000 0.000 0.286 254 V C 0.097 176.296 176.094 0.175 0.000 1.034 254 V CA -0.713 61.663 62.300 0.127 0.000 0.893 254 V CB 1.414 33.304 31.823 0.111 0.000 0.982 254 V HN 0.652 nan 8.190 nan 0.000 0.452 255 E N 4.155 124.447 120.200 0.153 0.000 2.166 255 E HA 0.562 4.912 4.350 -0.000 0.000 0.275 255 E C -1.123 175.575 176.600 0.164 0.000 0.941 255 E CA -0.716 55.743 56.400 0.097 0.000 0.784 255 E CB 1.371 31.125 29.700 0.090 0.000 1.115 255 E HN 0.679 nan 8.360 nan 0.000 0.399 256 F N 2.624 122.527 119.950 -0.077 0.000 2.623 256 F HA 0.435 4.962 4.527 -0.000 0.000 0.361 256 F C 0.258 176.028 175.800 -0.050 0.000 1.469 256 F CA -0.817 57.152 58.000 -0.052 0.000 1.126 256 F CB 0.143 39.023 39.000 -0.199 0.000 1.221 256 F HN 0.213 nan 8.300 nan 0.000 0.536 257 S N -0.149 115.470 115.700 -0.135 0.000 2.414 257 S HA 0.002 4.472 4.470 -0.000 0.000 0.227 257 S C 0.271 174.871 174.600 -0.000 0.000 1.022 257 S CA 0.757 58.882 58.200 -0.124 0.000 0.958 257 S CB -0.204 62.971 63.200 -0.042 0.000 0.797 257 S HN 0.590 nan 8.310 nan 0.000 0.493 258 E N 0.919 121.165 120.200 0.076 0.000 2.216 258 E HA 0.514 4.864 4.350 -0.000 0.000 0.260 258 E C 0.410 177.075 176.600 0.107 0.000 0.880 258 E CA -0.563 55.887 56.400 0.082 0.000 0.765 258 E CB 1.458 31.196 29.700 0.064 0.000 1.174 258 E HN 0.253 nan 8.360 nan 0.000 0.417 263 L N 0.300 121.552 121.223 0.047 0.000 2.141 263 L HA -0.056 4.284 4.340 -0.000 0.000 0.209 263 L C 2.313 179.227 176.870 0.074 0.000 1.094 263 L CA 1.183 56.054 54.840 0.051 0.000 0.763 263 L CB -0.754 41.335 42.059 0.049 0.000 0.908 263 L HN 0.083 nan 8.230 nan 0.000 0.437 264 H N -0.126 118.935 119.070 -0.016 0.000 2.352 264 H HA -0.153 4.403 4.556 -0.000 0.000 0.299 264 H C 2.397 177.730 175.328 0.009 0.000 1.097 264 H CA 2.081 58.117 56.048 -0.020 0.000 1.311 264 H CB -0.365 29.309 29.762 -0.145 0.000 1.377 264 H HN 0.197 nan 8.280 nan 0.000 0.504 265 T N -0.048 114.535 114.554 0.049 0.000 2.720 265 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 265 T C 1.898 176.623 174.700 0.042 0.000 1.037 265 T CA 1.593 63.688 62.100 -0.009 0.000 1.144 265 T CB -0.160 68.681 68.868 -0.044 0.000 0.864 265 T HN 0.338 nan 8.240 nan 0.000 0.444 266 E N 1.085 121.305 120.200 0.032 0.000 2.077 266 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 266 E C 2.090 178.695 176.600 0.009 0.000 0.989 266 E CA 0.965 57.376 56.400 0.018 0.000 0.800 266 E CB -0.631 29.080 29.700 0.019 0.000 0.746 266 E HN 0.303 nan 8.360 nan 0.000 0.452 267 V N 0.095 120.027 119.914 0.030 0.000 2.261 267 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 267 V C 2.043 178.098 176.094 -0.065 0.000 1.047 267 V CA 2.162 64.453 62.300 -0.016 0.000 1.015 267 V CB -0.845 30.982 31.823 0.006 0.000 0.642 267 V HN 0.344 nan 8.190 nan 0.000 0.446 268 Y N 0.040 120.259 120.300 -0.136 0.000 2.165 268 Y HA -0.262 4.288 4.550 -0.000 0.000 0.286 268 Y C 2.869 178.677 175.900 -0.154 0.000 1.155 268 Y CA 2.109 60.123 58.100 -0.144 0.000 1.164 268 Y CB -0.236 38.145 38.460 -0.132 0.000 0.978 268 Y HN 0.040 nan 8.280 nan 0.000 0.513 269 R N 0.830 121.355 120.500 0.042 0.000 2.080 269 R HA -0.216 4.124 4.340 -0.000 0.000 0.236 269 R C 2.043 178.282 176.300 -0.100 0.000 1.137 269 R CA 2.078 58.166 56.100 -0.020 0.000 0.943 269 R CB -0.196 30.096 30.300 -0.014 0.000 0.846 269 R HN 0.329 nan 8.270 nan 0.000 0.431 270 K N -0.867 119.441 120.400 -0.152 0.000 2.097 270 K HA -0.076 4.244 4.320 -0.000 0.000 0.206 270 K C 2.019 178.419 176.600 -0.334 0.000 1.049 270 K CA 1.889 58.034 56.287 -0.236 0.000 0.933 270 K CB -0.119 32.190 32.500 -0.319 0.000 0.717 270 K HN 0.210 nan 8.250 nan 0.000 0.442 271 T N 1.724 116.041 114.554 -0.395 0.000 2.788 271 T HA -0.070 4.280 4.350 -0.000 0.000 0.268 271 T C 1.726 176.191 174.700 -0.391 0.000 1.044 271 T CA 0.943 62.715 62.100 -0.547 0.000 1.139 271 T CB -0.034 68.493 68.868 -0.568 0.000 0.867 271 T HN 0.128 nan 8.240 nan 0.000 0.454 272 L N 0.352 121.427 121.223 -0.247 0.000 2.341 272 L HA 0.220 4.560 4.340 -0.000 0.000 0.214 272 L C 2.539 179.354 176.870 -0.093 0.000 1.115 272 L CA 0.334 55.085 54.840 -0.148 0.000 0.820 272 L CB -0.339 41.667 42.059 -0.088 0.000 0.944 272 L HN 0.196 nan 8.230 nan 0.000 0.452 273 A N -0.252 122.498 122.820 -0.116 0.000 2.259 273 A HA 0.291 4.611 4.320 -0.000 0.000 0.208 273 A C 1.657 179.186 177.584 -0.092 0.000 1.201 273 A CA 0.681 52.668 52.037 -0.083 0.000 0.824 273 A CB -0.595 18.359 19.000 -0.076 0.000 0.838 273 A HN 0.504 nan 8.150 nan 0.000 0.485 274 G N -0.587 108.136 108.800 -0.128 0.000 2.143 274 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.249 274 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.249 274 G C 0.050 174.871 174.900 -0.133 0.000 0.981 274 G CA 0.456 45.496 45.100 -0.101 0.000 0.665 274 G HN 0.659 nan 8.290 nan 0.000 0.528 275 E N 0.092 120.160 120.200 -0.219 0.000 2.989 275 E HA 0.452 4.802 4.350 -0.000 0.000 0.207 275 E C 1.227 177.562 176.600 -0.441 0.000 0.989 275 E CA -0.019 56.244 56.400 -0.229 0.000 1.186 275 E CB 0.814 30.412 29.700 -0.171 0.000 1.141 275 E HN 0.475 nan 8.360 nan 0.000 0.454 276 G N 0.276 108.745 108.800 -0.552 0.000 2.535 276 G HA2 0.396 4.356 3.960 -0.000 0.000 0.303 276 G HA3 0.396 4.356 3.960 -0.000 0.000 0.303 276 G C -0.660 173.956 174.900 -0.472 0.000 1.237 276 G CA -0.584 44.036 45.100 -0.800 0.000 0.986 276 G HN 0.044 nan 8.290 nan 0.000 0.494 277 F N 0.596 120.560 119.950 0.023 0.000 2.371 277 F HA 0.529 5.055 4.527 -0.000 0.000 0.363 277 F C 1.005 176.933 175.800 0.213 0.000 1.122 277 F CA -0.789 57.254 58.000 0.072 0.000 1.129 277 F CB 1.128 40.108 39.000 -0.033 0.000 1.173 277 F HN 0.534 nan 8.300 nan 0.000 0.489 278 G N 2.552 111.555 108.800 0.339 0.000 2.583 278 G HA2 0.411 4.371 3.960 -0.000 0.000 0.280 278 G HA3 0.411 4.371 3.960 -0.000 0.000 0.280 278 G C 0.918 175.874 174.900 0.094 0.000 1.376 278 G CA -0.779 44.431 45.100 0.183 0.000 1.043 278 G HN 0.615 nan 8.290 nan 0.000 0.538 279 L N -0.394 120.838 121.223 0.016 0.000 2.042 279 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 279 L C 2.478 179.366 176.870 0.031 0.000 1.076 279 L CA 1.269 56.118 54.840 0.015 0.000 0.749 279 L CB -0.291 41.762 42.059 -0.011 0.000 0.893 279 L HN 0.384 nan 8.230 nan 0.000 0.432 280 D N -0.068 120.357 120.400 0.041 0.000 2.104 280 D HA -0.190 4.450 4.640 -0.000 0.000 0.194 280 D C 2.163 178.498 176.300 0.059 0.000 0.994 280 D CA 1.258 55.286 54.000 0.046 0.000 0.830 280 D CB -0.057 40.777 40.800 0.056 0.000 0.959 280 D HN 0.296 nan 8.370 nan 0.000 0.452 281 E N 0.433 120.684 120.200 0.086 0.000 2.072 281 E HA 0.007 4.357 4.350 -0.000 0.000 0.191 281 E C 1.940 178.559 176.600 0.031 0.000 0.985 281 E CA 1.092 57.546 56.400 0.089 0.000 0.801 281 E CB -0.284 29.508 29.700 0.154 0.000 0.750 281 E HN 0.234 nan 8.360 nan 0.000 0.452 282 A N 0.466 123.303 122.820 0.029 0.000 2.123 282 A HA 0.205 4.525 4.320 -0.000 0.000 0.214 282 A C 2.217 179.788 177.584 -0.022 0.000 1.152 282 A CA 1.088 53.118 52.037 -0.012 0.000 0.728 282 A CB -0.391 18.613 19.000 0.006 0.000 0.814 282 A HN 0.241 nan 8.150 nan 0.000 0.464 283 A N 0.250 123.067 122.820 -0.005 0.000 1.933 283 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 283 A C 1.953 179.520 177.584 -0.029 0.000 1.175 283 A CA 2.065 54.094 52.037 -0.013 0.000 0.628 283 A CB -0.382 18.619 19.000 0.001 0.000 0.814 283 A HN 0.506 nan 8.150 nan 0.000 0.444 284 E N 0.476 120.664 120.200 -0.021 0.000 2.047 284 E HA -0.054 4.296 4.350 -0.000 0.000 0.191 284 E C 1.987 178.548 176.600 -0.065 0.000 0.987 284 E CA 1.699 58.082 56.400 -0.029 0.000 0.799 284 E CB -0.543 29.157 29.700 -0.001 0.000 0.752 284 E HN 0.437 nan 8.360 nan 0.000 0.449 285 A N 0.366 123.144 122.820 -0.070 0.000 1.933 285 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 285 A C 2.376 179.865 177.584 -0.159 0.000 1.175 285 A CA 1.440 53.413 52.037 -0.106 0.000 0.628 285 A CB -0.675 18.267 19.000 -0.097 0.000 0.814 285 A HN 0.360 nan 8.150 nan 0.000 0.444 286 I N -1.089 119.405 120.570 -0.126 0.000 2.226 286 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 286 I C 2.676 178.701 176.117 -0.153 0.000 1.100 286 I CA 1.547 62.759 61.300 -0.146 0.000 1.374 286 I CB -0.272 37.668 38.000 -0.101 0.000 1.057 286 I HN 0.351 nan 8.210 nan 0.000 0.413 287 R N 0.646 121.080 120.500 -0.110 0.000 2.083 287 R HA -0.176 4.164 4.340 -0.000 0.000 0.237 287 R C 2.252 178.459 176.300 -0.155 0.000 1.137 287 R CA 1.820 57.864 56.100 -0.095 0.000 0.951 287 R CB -0.185 30.078 30.300 -0.061 0.000 0.851 287 R HN 0.181 nan 8.270 nan 0.000 0.434 288 V N 0.758 120.541 119.914 -0.219 0.000 2.358 288 V HA -0.176 3.944 4.120 -0.000 0.000 0.246 288 V C 2.471 178.282 176.094 -0.472 0.000 1.047 288 V CA 1.792 63.887 62.300 -0.342 0.000 1.035 288 V CB -0.673 30.893 31.823 -0.428 0.000 0.658 288 V HN 0.533 nan 8.190 nan 0.000 0.452 289 A N 0.166 122.696 122.820 -0.484 0.000 1.902 289 A HA -0.132 4.187 4.320 -0.000 0.000 0.217 289 A C 2.434 179.807 177.584 -0.353 0.000 1.181 289 A CA 2.118 53.862 52.037 -0.488 0.000 0.623 289 A CB -0.785 17.993 19.000 -0.370 0.000 0.818 289 A HN 0.564 nan 8.150 nan 0.000 0.443 290 A N -0.250 122.395 122.820 -0.291 0.000 1.902 290 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 290 A C 2.174 179.694 177.584 -0.107 0.000 1.181 290 A CA 1.519 53.418 52.037 -0.229 0.000 0.623 290 A CB -0.638 18.309 19.000 -0.088 0.000 0.818 290 A HN 0.477 nan 8.150 nan 0.000 0.443 291 L N -0.652 120.500 121.223 -0.117 0.000 2.042 291 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 291 L C 2.415 179.232 176.870 -0.089 0.000 1.076 291 L CA 1.299 56.091 54.840 -0.080 0.000 0.749 291 L CB -0.498 41.496 42.059 -0.108 0.000 0.893 291 L HN 0.389 nan 8.230 nan 0.000 0.432 292 L N -0.369 120.756 121.223 -0.164 0.000 2.376 292 L HA -0.128 4.212 4.340 -0.000 0.000 0.219 292 L C 2.616 179.448 176.870 -0.063 0.000 1.133 292 L CA 0.710 55.480 54.840 -0.116 0.000 0.816 292 L CB -0.532 41.406 42.059 -0.201 0.000 0.933 292 L HN 0.366 nan 8.230 nan 0.000 0.449 293 R N -1.247 119.201 120.500 -0.088 0.000 2.275 293 R HA -0.039 4.301 4.340 -0.000 0.000 0.199 293 R C 1.645 177.951 176.300 0.010 0.000 0.989 293 R CA 1.317 57.386 56.100 -0.052 0.000 1.016 293 R CB -0.136 30.096 30.300 -0.114 0.000 0.918 293 R HN 0.005 nan 8.270 nan 0.000 0.473 294 T N -0.178 114.388 114.554 0.020 0.000 2.958 294 T HA 0.350 4.699 4.350 -0.000 0.000 0.256 294 T C 0.291 175.012 174.700 0.035 0.000 0.983 294 T CA -0.456 61.675 62.100 0.052 0.000 0.924 294 T CB 0.200 69.130 68.868 0.104 0.000 1.136 294 T HN 0.045 nan 8.240 nan 0.000 0.506 295 L N 3.444 124.679 121.223 0.019 0.000 2.461 295 L HA 0.294 4.634 4.340 -0.000 0.000 0.272 295 L C -1.961 174.926 176.870 0.028 0.000 1.197 295 L CA -1.670 53.182 54.840 0.019 0.000 0.836 295 L CB 0.420 42.482 42.059 0.005 0.000 1.105 295 L HN 0.144 nan 8.230 nan 0.000 0.477 296 P HA 0.222 nan 4.420 nan 0.000 0.274 296 P C -0.580 176.747 177.300 0.045 0.000 1.231 296 P CA -0.562 62.560 63.100 0.037 0.000 0.790 296 P CB 0.577 32.299 31.700 0.037 0.000 0.951 297 L N 0.877 122.128 121.223 0.047 0.000 2.476 297 L HA 0.343 4.683 4.340 -0.000 0.000 0.264 297 L C 0.963 177.879 176.870 0.076 0.000 1.224 297 L CA 0.772 55.648 54.840 0.061 0.000 0.821 297 L CB 0.065 42.157 42.059 0.055 0.000 1.101 297 L HN 0.584 nan 8.230 nan 0.000 0.488 298 S N 0.056 115.822 115.700 0.110 0.000 2.570 298 S HA 0.330 4.800 4.470 -0.000 0.000 0.270 298 S C -1.087 173.574 174.600 0.102 0.000 1.149 298 S CA -1.033 57.233 58.200 0.110 0.000 0.837 298 S CB 1.599 64.883 63.200 0.140 0.000 1.124 298 S HN 0.581 nan 8.310 nan 0.000 0.465 299 Q N 1.809 121.629 119.800 0.033 0.000 2.294 299 Q HA 0.441 4.781 4.340 -0.000 0.000 0.257 299 Q C -2.257 173.656 176.000 -0.145 0.000 0.955 299 Q CA -2.026 53.752 55.803 -0.043 0.000 0.936 299 Q CB 0.708 29.427 28.738 -0.032 0.000 1.188 299 Q HN 0.542 nan 8.270 nan 0.000 0.420 300 P HA 0.017 nan 4.420 nan 0.000 0.275 300 P C -0.726 176.408 177.300 -0.278 0.000 1.228 300 P CA -0.288 62.470 63.100 -0.571 0.000 0.786 300 P CB 1.126 32.210 31.700 -1.028 0.000 0.927 301 S N 2.732 118.305 115.700 -0.212 0.000 2.568 301 S HA 0.117 4.587 4.470 -0.000 0.000 0.282 301 S C -1.473 173.023 174.600 -0.173 0.000 1.338 301 S CA -0.658 57.449 58.200 -0.154 0.000 1.045 301 S CB -0.206 62.916 63.200 -0.130 0.000 0.873 301 S HN 0.267 nan 8.310 nan 0.000 0.516 302 P HA -0.184 nan 4.420 nan 0.000 0.216 302 P C 1.293 178.525 177.300 -0.113 0.000 1.153 302 P CA 1.902 64.940 63.100 -0.103 0.000 0.858 302 P CB -0.147 31.510 31.700 -0.071 0.000 0.789 303 E N -1.431 118.696 120.200 -0.122 0.000 2.427 303 E HA -0.075 4.274 4.350 -0.000 0.000 0.196 303 E C 1.044 177.531 176.600 -0.189 0.000 1.028 303 E CA 0.570 56.899 56.400 -0.118 0.000 0.864 303 E CB -0.620 29.024 29.700 -0.093 0.000 0.813 303 E HN 0.094 nan 8.360 nan 0.000 0.514 304 N N 0.887 119.419 118.700 -0.281 0.000 2.203 304 N HA 0.047 4.787 4.740 -0.000 0.000 0.207 304 N C -0.578 174.822 175.510 -0.185 0.000 1.130 304 N CA 0.015 52.773 53.050 -0.486 0.000 0.861 304 N CB 0.487 38.512 38.487 -0.769 0.000 1.005 304 N HN 0.193 nan 8.380 nan 0.000 0.507 305 R N 0.889 121.319 120.500 -0.115 0.000 2.294 305 R HA 0.128 4.468 4.340 -0.000 0.000 0.319 305 R C -0.437 175.903 176.300 0.066 0.000 0.984 305 R CA -0.432 55.654 56.100 -0.024 0.000 0.861 305 R CB 0.560 30.794 30.300 -0.111 0.000 1.104 305 R HN 0.106 nan 8.270 nan 0.000 0.451 306 H N 5.952 125.059 119.070 0.061 0.000 3.001 306 H HA 0.019 4.574 4.556 -0.000 0.000 0.334 306 H C -1.700 173.644 175.328 0.027 0.000 1.034 306 H CA -0.863 55.204 56.048 0.032 0.000 1.420 306 H CB 1.447 31.225 29.762 0.027 0.000 1.405 306 H HN 0.516 nan 8.280 nan 0.000 0.593 307 P HA -0.211 nan 4.420 nan 0.000 0.216 307 P C 1.269 178.713 177.300 0.240 0.000 1.157 307 P CA 1.284 64.386 63.100 0.004 0.000 0.880 307 P CB -0.075 31.595 31.700 -0.052 0.000 0.791 308 F N -1.958 118.012 119.950 0.034 0.000 2.664 308 F HA -0.043 4.484 4.527 -0.000 0.000 0.297 308 F C 1.473 177.167 175.800 -0.177 0.000 1.164 308 F CA -0.013 57.847 58.000 -0.233 0.000 1.472 308 F CB -1.362 37.053 39.000 -0.976 0.000 1.108 308 F HN -0.085 nan 8.300 nan 0.000 0.596 309 L N 0.000 121.331 121.223 0.180 0.000 2.949 309 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 309 L CA 0.000 54.940 54.840 0.167 0.000 0.813 309 L CB 0.000 42.164 42.059 0.174 0.000 0.961 309 L HN 0.000 nan 8.230 nan 0.000 0.502