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 3ou8_1_B DATA FIRST_RESID 4 DATA SEQUENCE YEWLNALPKA ELHLHLEGTL EPELLFALAE RNRIALPWND VETLRKAYAF DATA SEQUENCE NNLQEFLDLY YAGADVLRTE QDFYDLTWAY LQKCKAQNVV HVEPFFDPQT DATA SEQUENCE HTDRGIPFEV VLAGIRAALR DGEKLLGIRH GLILSFLRHL SEEQAQKTLD DATA SEQUENCE QALPFRDAFI AVGLDSSEVG HPPSKFQRVF DRARSEGFLT VAHAGEEGPP DATA SEQUENCE EYIWEALDLL KVERIDHGVR AFEDERLXRR LIDEQIPLTV CPLSNTKLCV DATA SEQUENCE FDDXSQHTIL DXLERGVKVT VNSDDPAYFG GYVTENFHAL QQSLGXTEEQ DATA SEQUENCE ARRLAQNSLD ARLV 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 4 Y HA 0.000 nan 4.550 nan 0.000 0.201 4 Y C 0.000 175.923 175.900 0.038 0.000 1.272 4 Y CA 0.000 58.112 58.100 0.020 0.000 1.940 4 Y CB 0.000 38.307 38.460 -0.256 0.000 1.050 5 E N 0.919 121.270 120.200 0.252 0.000 2.118 5 E HA -0.245 4.106 4.350 0.001 0.000 0.195 5 E C 1.493 178.118 176.600 0.042 0.000 0.992 5 E CA 1.840 58.312 56.400 0.120 0.000 0.804 5 E CB -0.569 29.218 29.700 0.145 0.000 0.741 5 E HN 0.694 nan 8.360 nan 0.000 0.458 6 W N 1.136 122.409 121.300 -0.046 0.000 2.355 6 W HA -0.167 4.494 4.660 0.001 0.000 0.309 6 W C 2.049 178.487 176.519 -0.135 0.000 1.206 6 W CA 1.505 58.811 57.345 -0.064 0.000 1.284 6 W CB -0.466 28.981 29.460 -0.021 0.000 1.145 6 W HN 0.004 nan 8.180 nan 0.000 0.502 7 L N 0.525 121.774 121.223 0.044 0.000 2.017 7 L HA -0.295 4.046 4.340 0.001 0.000 0.208 7 L C 2.577 179.146 176.870 -0.503 0.000 1.073 7 L CA 1.885 56.569 54.840 -0.260 0.000 0.745 7 L CB -1.355 40.657 42.059 -0.079 0.000 0.894 7 L HN 0.171 nan 8.230 nan 0.000 0.432 8 N N 0.176 118.594 118.700 -0.471 0.000 2.348 8 N HA -0.176 4.564 4.740 0.001 0.000 0.185 8 N C 1.648 176.952 175.510 -0.344 0.000 1.019 8 N CA 1.204 53.993 53.050 -0.435 0.000 0.880 8 N CB 0.193 38.432 38.487 -0.413 0.000 0.965 8 N HN 0.364 nan 8.380 nan 0.000 0.437 9 A N 0.386 122.990 122.820 -0.359 0.000 2.072 9 A HA 0.117 4.438 4.320 0.001 0.000 0.216 9 A C 0.641 177.991 177.584 -0.390 0.000 1.156 9 A CA -0.115 51.729 52.037 -0.322 0.000 0.701 9 A CB -0.019 18.812 19.000 -0.281 0.000 0.816 9 A HN 0.145 nan 8.150 nan 0.000 0.458 10 L N 1.356 122.252 121.223 -0.545 0.000 2.559 10 L HA 0.167 4.507 4.340 0.001 0.000 0.274 10 L C -2.354 174.301 176.870 -0.358 0.000 1.205 10 L CA -1.347 53.182 54.840 -0.518 0.000 0.907 10 L CB -0.120 41.536 42.059 -0.672 0.000 1.153 10 L HN 0.047 nan 8.230 nan 0.000 0.490 11 P HA 0.218 nan 4.420 nan 0.000 0.271 11 P C -1.106 176.105 177.300 -0.147 0.000 1.220 11 P CA -0.170 62.828 63.100 -0.171 0.000 0.768 11 P CB 0.639 32.264 31.700 -0.125 0.000 0.848 12 K N 1.609 121.946 120.400 -0.105 0.000 2.477 12 K HA 0.813 5.134 4.320 0.001 0.000 0.255 12 K C -1.073 175.541 176.600 0.024 0.000 0.952 12 K CA -0.907 55.352 56.287 -0.046 0.000 0.826 12 K CB 2.418 34.879 32.500 -0.065 0.000 1.331 12 K HN 0.314 nan 8.250 nan 0.000 0.437 13 A N 1.423 124.283 122.820 0.067 0.000 2.318 13 A HA 0.387 4.708 4.320 0.001 0.000 0.324 13 A C -1.070 176.597 177.584 0.138 0.000 1.170 13 A CA -0.490 51.622 52.037 0.125 0.000 0.810 13 A CB 0.833 19.890 19.000 0.095 0.000 1.198 13 A HN 0.774 nan 8.150 nan 0.000 0.484 14 E N 2.312 122.608 120.200 0.159 0.000 2.146 14 E HA 0.517 4.867 4.350 0.001 0.000 0.282 14 E C -0.363 176.299 176.600 0.104 0.000 0.989 14 E CA -0.301 56.190 56.400 0.152 0.000 0.799 14 E CB 0.621 30.452 29.700 0.217 0.000 1.088 14 E HN 0.664 nan 8.360 nan 0.000 0.397 15 L N 3.751 125.009 121.223 0.058 0.000 2.858 15 L HA 0.262 4.603 4.340 0.001 0.000 0.251 15 L C 0.145 176.937 176.870 -0.130 0.000 1.149 15 L CA -0.158 54.673 54.840 -0.015 0.000 0.955 15 L CB 0.366 42.444 42.059 0.033 0.000 1.289 15 L HN 0.588 nan 8.230 nan 0.000 0.542 16 H N 1.498 120.444 119.070 -0.207 0.000 2.699 16 H HA 0.429 4.985 4.556 0.001 0.000 0.256 16 H C -1.566 173.656 175.328 -0.177 0.000 1.376 16 H CA -0.365 55.534 56.048 -0.249 0.000 1.549 16 H CB 0.940 30.640 29.762 -0.103 0.000 1.686 16 H HN -0.112 nan 8.280 nan 0.000 0.550 17 L N 4.678 125.792 121.223 -0.181 0.000 2.470 17 L HA 0.368 4.708 4.340 0.001 0.000 0.268 17 L C -1.347 175.444 176.870 -0.132 0.000 0.964 17 L CA -0.422 54.375 54.840 -0.071 0.000 0.839 17 L CB 1.629 43.597 42.059 -0.151 0.000 1.276 17 L HN 0.718 nan 8.230 nan 0.000 0.403 18 H N 6.660 125.847 119.070 0.195 0.000 2.552 18 H HA 0.240 4.796 4.556 0.001 0.000 0.311 18 H C 1.100 176.521 175.328 0.155 0.000 1.071 18 H CA -0.435 55.784 56.048 0.285 0.000 1.307 18 H CB 2.305 32.290 29.762 0.371 0.000 1.416 18 H HN 0.655 nan 8.280 nan 0.000 0.464 19 L N 2.042 123.406 121.223 0.235 0.000 2.079 19 L HA -0.226 4.115 4.340 0.001 0.000 0.210 19 L C 1.718 178.736 176.870 0.246 0.000 1.081 19 L CA 1.477 56.408 54.840 0.152 0.000 0.752 19 L CB -0.167 42.006 42.059 0.190 0.000 0.896 19 L HN 0.553 nan 8.230 nan 0.000 0.433 20 E N 0.097 120.510 120.200 0.356 0.000 2.268 20 E HA -0.113 4.238 4.350 0.001 0.000 0.195 20 E C 1.990 178.836 176.600 0.411 0.000 0.995 20 E CA 0.969 57.543 56.400 0.291 0.000 0.836 20 E CB -0.285 29.486 29.700 0.118 0.000 0.763 20 E HN 0.444 nan 8.360 nan 0.000 0.491 21 G N 0.122 109.239 108.800 0.528 0.000 2.985 21 G HA2 -0.094 3.866 3.960 0.001 0.000 0.209 21 G HA3 -0.094 3.866 3.960 0.001 0.000 0.209 21 G C 1.179 176.278 174.900 0.330 0.000 1.165 21 G CA 0.758 46.154 45.100 0.493 0.000 0.776 21 G HN 0.361 nan 8.290 nan 0.000 0.541 22 T N -1.954 112.750 114.554 0.250 0.000 3.069 22 T HA 0.258 4.608 4.350 0.001 0.000 0.252 22 T C 0.837 175.667 174.700 0.217 0.000 1.053 22 T CA -0.508 61.718 62.100 0.211 0.000 0.964 22 T CB 0.136 69.148 68.868 0.239 0.000 1.005 22 T HN -0.014 nan 8.240 nan 0.000 0.532 23 L N 3.719 125.070 121.223 0.213 0.000 2.617 23 L HA 0.286 4.626 4.340 0.001 0.000 0.282 23 L C -0.035 176.875 176.870 0.066 0.000 1.174 23 L CA -0.083 54.844 54.840 0.144 0.000 1.016 23 L CB -0.701 41.453 42.059 0.158 0.000 1.337 23 L HN 0.140 nan 8.230 nan 0.000 0.460 24 E N 6.127 126.375 120.200 0.080 0.000 2.392 24 E HA 0.049 4.400 4.350 0.001 0.000 0.264 24 E C -1.609 174.998 176.600 0.012 0.000 1.024 24 E CA -1.746 54.680 56.400 0.043 0.000 0.903 24 E CB 0.456 30.198 29.700 0.069 0.000 0.963 24 E HN 0.411 nan 8.360 nan 0.000 0.432 25 P HA -0.200 nan 4.420 nan 0.000 0.216 25 P C 0.782 178.100 177.300 0.029 0.000 1.154 25 P CA 1.471 64.531 63.100 -0.067 0.000 0.865 25 P CB 0.376 31.919 31.700 -0.263 0.000 0.789 26 E N -0.902 119.285 120.200 -0.020 0.000 2.051 26 E HA -0.154 4.197 4.350 0.001 0.000 0.192 26 E C 1.876 178.526 176.600 0.084 0.000 0.991 26 E CA 0.826 57.230 56.400 0.007 0.000 0.799 26 E CB -1.227 28.460 29.700 -0.022 0.000 0.748 26 E HN 0.130 nan 8.360 nan 0.000 0.449 27 L N 0.281 121.546 121.223 0.070 0.000 2.141 27 L HA -0.033 4.308 4.340 0.001 0.000 0.209 27 L C 2.012 178.937 176.870 0.091 0.000 1.094 27 L CA 1.217 56.102 54.840 0.076 0.000 0.763 27 L CB -0.248 41.850 42.059 0.065 0.000 0.908 27 L HN 0.199 nan 8.230 nan 0.000 0.437 28 L N -1.901 119.389 121.223 0.112 0.000 2.017 28 L HA -0.206 4.134 4.340 0.001 0.000 0.208 28 L C 2.244 179.190 176.870 0.127 0.000 1.073 28 L CA 1.429 56.335 54.840 0.110 0.000 0.745 28 L CB -0.319 41.807 42.059 0.113 0.000 0.894 28 L HN 0.183 nan 8.230 nan 0.000 0.432 29 F N -0.060 119.897 119.950 0.012 0.000 2.171 29 F HA -0.175 4.353 4.527 0.001 0.000 0.300 29 F C 2.524 178.340 175.800 0.027 0.000 1.090 29 F CA 1.250 59.267 58.000 0.030 0.000 1.293 29 F CB -0.843 38.166 39.000 0.016 0.000 1.013 29 F HN 0.164 nan 8.300 nan 0.000 0.486 30 A N 0.018 122.948 122.820 0.184 0.000 1.898 30 A HA -0.117 4.203 4.320 0.001 0.000 0.216 30 A C 2.265 179.885 177.584 0.060 0.000 1.181 30 A CA 1.370 53.471 52.037 0.107 0.000 0.620 30 A CB -1.033 18.020 19.000 0.088 0.000 0.819 30 A HN 0.361 nan 8.150 nan 0.000 0.442 31 L N -0.783 120.467 121.223 0.044 0.000 2.046 31 L HA -0.194 4.146 4.340 0.001 0.000 0.208 31 L C 3.127 179.994 176.870 -0.005 0.000 1.077 31 L CA 1.042 55.888 54.840 0.010 0.000 0.747 31 L CB -0.741 41.309 42.059 -0.014 0.000 0.896 31 L HN 0.452 nan 8.230 nan 0.000 0.432 32 A N 0.256 123.064 122.820 -0.020 0.000 1.883 32 A HA -0.299 4.021 4.320 0.001 0.000 0.217 32 A C 2.271 179.837 177.584 -0.031 0.000 1.186 32 A CA 2.145 54.151 52.037 -0.052 0.000 0.624 32 A CB -0.636 18.276 19.000 -0.146 0.000 0.822 32 A HN 0.511 nan 8.150 nan 0.000 0.444 33 E N -0.513 119.684 120.200 -0.006 0.000 2.038 33 E HA -0.268 4.083 4.350 0.001 0.000 0.195 33 E C 2.285 178.894 176.600 0.015 0.000 1.000 33 E CA 1.421 57.831 56.400 0.016 0.000 0.803 33 E CB -0.196 29.533 29.700 0.048 0.000 0.750 33 E HN 0.561 nan 8.360 nan 0.000 0.448 34 R N 0.162 120.673 120.500 0.018 0.000 2.105 34 R HA -0.112 4.228 4.340 0.001 0.000 0.239 34 R C 1.357 177.663 176.300 0.009 0.000 1.135 34 R CA 2.006 58.116 56.100 0.016 0.000 0.967 34 R CB -0.146 30.165 30.300 0.019 0.000 0.861 34 R HN 0.260 nan 8.270 nan 0.000 0.442 35 N N -0.218 118.484 118.700 0.002 0.000 2.336 35 N HA 0.073 4.814 4.740 0.001 0.000 0.189 35 N C -0.532 174.977 175.510 -0.001 0.000 1.113 35 N CA -0.112 52.939 53.050 0.000 0.000 0.858 35 N CB 0.391 38.875 38.487 -0.005 0.000 0.970 35 N HN 0.095 nan 8.380 nan 0.000 0.471 36 R N 0.275 120.774 120.500 -0.002 0.000 3.651 36 R HA -0.159 4.182 4.340 0.001 0.000 0.292 36 R C -0.899 175.394 176.300 -0.012 0.000 1.161 36 R CA 0.462 56.560 56.100 -0.004 0.000 0.787 36 R CB -2.199 28.102 30.300 0.001 0.000 1.249 36 R HN 0.315 nan 8.270 nan 0.000 0.476 37 I N 1.160 121.717 120.570 -0.022 0.000 2.352 37 I HA 0.252 4.423 4.170 0.001 0.000 0.290 37 I C 1.053 177.140 176.117 -0.050 0.000 1.036 37 I CA -0.272 61.008 61.300 -0.032 0.000 1.336 37 I CB 1.401 39.381 38.000 -0.033 0.000 1.407 37 I HN 0.162 nan 8.210 nan 0.000 0.497 38 A N 8.286 131.079 122.820 -0.045 0.000 2.395 38 A HA 0.449 4.770 4.320 0.001 0.000 0.286 38 A C -0.009 177.528 177.584 -0.079 0.000 1.193 38 A CA -0.332 51.673 52.037 -0.053 0.000 0.852 38 A CB -0.089 18.889 19.000 -0.037 0.000 1.118 38 A HN 0.691 nan 8.150 nan 0.000 0.524 39 L N 3.673 124.831 121.223 -0.109 0.000 2.436 39 L HA 0.217 4.558 4.340 0.001 0.000 0.265 39 L C -1.033 175.753 176.870 -0.140 0.000 1.168 39 L CA -1.458 53.310 54.840 -0.120 0.000 0.815 39 L CB 0.803 42.752 42.059 -0.183 0.000 1.109 39 L HN 0.554 nan 8.230 nan 0.000 0.462 40 P HA -0.043 nan 4.420 nan 0.000 0.236 40 P C -0.561 176.484 177.300 -0.425 0.000 1.177 40 P CA 0.640 63.459 63.100 -0.469 0.000 0.773 40 P CB 0.236 31.432 31.700 -0.840 0.000 0.878 41 W N 0.889 122.218 121.300 0.049 0.000 2.391 41 W HA 0.203 4.863 4.660 0.001 0.000 0.311 41 W C 1.275 177.916 176.519 0.204 0.000 1.087 41 W CA -0.725 56.707 57.345 0.145 0.000 1.209 41 W CB 0.568 30.173 29.460 0.241 0.000 1.273 41 W HN -0.082 nan 8.180 nan 0.000 0.482 42 N N 2.375 121.281 118.700 0.345 0.000 2.018 42 N HA -0.228 4.512 4.740 0.001 0.000 0.196 42 N C 0.034 175.741 175.510 0.328 0.000 1.043 42 N CA 2.229 55.431 53.050 0.253 0.000 0.856 42 N CB 0.146 38.730 38.487 0.161 0.000 1.042 42 N HN 0.508 nan 8.380 nan 0.000 0.423 43 D N -2.513 118.057 120.400 0.284 0.000 2.636 43 D HA 0.136 4.777 4.640 0.001 0.000 0.275 43 D C 0.847 176.995 176.300 -0.254 0.000 1.130 43 D CA -0.469 53.568 54.000 0.062 0.000 1.031 43 D CB 0.901 41.675 40.800 -0.044 0.000 1.451 43 D HN -0.089 nan 8.370 nan 0.000 0.505 44 V N -0.432 118.970 119.914 -0.854 0.000 2.515 44 V HA -0.153 3.968 4.120 0.001 0.000 0.250 44 V C 1.763 177.613 176.094 -0.407 0.000 1.058 44 V CA 2.425 64.208 62.300 -0.862 0.000 1.064 44 V CB -0.558 30.747 31.823 -0.864 0.000 0.675 44 V HN 0.697 nan 8.190 nan 0.000 0.461 45 E N -0.245 119.787 120.200 -0.280 0.000 2.110 45 E HA -0.209 4.141 4.350 0.001 0.000 0.193 45 E C 2.113 178.628 176.600 -0.141 0.000 0.988 45 E CA 1.867 58.154 56.400 -0.188 0.000 0.804 45 E CB -0.236 29.390 29.700 -0.124 0.000 0.745 45 E HN 0.680 nan 8.360 nan 0.000 0.458 46 T N 1.640 116.153 114.554 -0.068 0.000 2.777 46 T HA -0.147 4.204 4.350 0.001 0.000 0.266 46 T C 1.758 176.454 174.700 -0.008 0.000 1.040 46 T CA 1.080 63.200 62.100 0.033 0.000 1.141 46 T CB -0.270 68.697 68.868 0.164 0.000 0.868 46 T HN 0.136 nan 8.240 nan 0.000 0.444 47 L N 1.712 122.851 121.223 -0.141 0.000 2.012 47 L HA -0.001 4.339 4.340 0.001 0.000 0.210 47 L C 2.413 178.987 176.870 -0.495 0.000 1.073 47 L CA 1.848 56.389 54.840 -0.498 0.000 0.748 47 L CB -0.633 41.079 42.059 -0.579 0.000 0.891 47 L HN 0.066 nan 8.230 nan 0.000 0.431 48 R N -0.498 119.682 120.500 -0.534 0.000 2.193 48 R HA -0.145 4.196 4.340 0.001 0.000 0.229 48 R C 2.073 178.171 176.300 -0.336 0.000 1.110 48 R CA 1.284 56.974 56.100 -0.684 0.000 0.988 48 R CB -0.100 29.902 30.300 -0.496 0.000 0.871 48 R HN 0.385 nan 8.270 nan 0.000 0.458 49 K N -0.603 119.696 120.400 -0.169 0.000 2.432 49 K HA 0.032 4.353 4.320 0.001 0.000 0.196 49 K C 1.428 178.040 176.600 0.019 0.000 1.038 49 K CA 0.731 56.987 56.287 -0.053 0.000 0.986 49 K CB 0.332 32.823 32.500 -0.016 0.000 0.782 49 K HN 0.189 nan 8.250 nan 0.000 0.485 50 A N 0.234 123.096 122.820 0.069 0.000 2.238 50 A HA -0.035 4.285 4.320 0.001 0.000 0.208 50 A C 0.264 177.995 177.584 0.245 0.000 1.177 50 A CA 0.329 52.490 52.037 0.207 0.000 0.804 50 A CB -0.130 19.065 19.000 0.324 0.000 0.823 50 A HN 0.170 nan 8.150 nan 0.000 0.482 51 Y N 0.745 120.959 120.300 -0.145 0.000 3.040 51 Y HA 0.504 5.054 4.550 0.001 0.000 0.392 51 Y C 0.710 176.181 175.900 -0.714 0.000 1.105 51 Y CA -0.732 57.190 58.100 -0.298 0.000 1.950 51 Y CB -0.939 37.468 38.460 -0.088 0.000 2.014 51 Y HN 0.316 nan 8.280 nan 0.000 0.433 52 A N 0.859 123.171 122.820 -0.847 0.000 2.408 52 A HA 0.789 5.109 4.320 0.001 0.000 0.295 52 A C -1.521 175.692 177.584 -0.618 0.000 1.040 52 A CA -0.484 51.152 52.037 -0.668 0.000 0.707 52 A CB 0.810 19.682 19.000 -0.212 0.000 1.235 52 A HN 0.120 nan 8.150 nan 0.000 0.418 53 F N 1.154 121.190 119.950 0.144 0.000 2.540 53 F HA 0.448 4.975 4.527 0.001 0.000 0.317 53 F C 1.028 176.876 175.800 0.079 0.000 1.104 53 F CA -1.050 57.028 58.000 0.131 0.000 0.913 53 F CB 2.229 41.331 39.000 0.170 0.000 1.170 53 F HN 0.633 nan 8.300 nan 0.000 0.450 54 N N 1.423 120.277 118.700 0.257 0.000 2.333 54 N HA -0.036 4.705 4.740 0.001 0.000 0.178 54 N C -0.331 175.246 175.510 0.111 0.000 1.018 54 N CA 0.950 54.086 53.050 0.143 0.000 0.882 54 N CB 0.145 38.699 38.487 0.111 0.000 0.984 54 N HN 0.792 nan 8.380 nan 0.000 0.434 55 N N -2.091 116.689 118.700 0.132 0.000 3.339 55 N HA 0.006 4.746 4.740 0.001 0.000 0.275 55 N C 0.118 175.653 175.510 0.042 0.000 1.514 55 N CA -0.606 52.476 53.050 0.053 0.000 0.879 55 N CB 0.090 38.592 38.487 0.025 0.000 1.557 55 N HN -0.093 nan 8.380 nan 0.000 0.524 56 L N 0.145 121.359 121.223 -0.016 0.000 1.978 56 L HA -0.170 4.171 4.340 0.001 0.000 0.218 56 L C 2.352 179.244 176.870 0.036 0.000 1.075 56 L CA 2.417 57.249 54.840 -0.013 0.000 0.767 56 L CB -1.240 40.802 42.059 -0.028 0.000 0.890 56 L HN 0.858 nan 8.230 nan 0.000 0.434 57 Q N -0.170 119.647 119.800 0.028 0.000 2.133 57 Q HA -0.291 4.050 4.340 0.001 0.000 0.208 57 Q C 2.274 178.291 176.000 0.030 0.000 0.991 57 Q CA 2.353 58.170 55.803 0.024 0.000 0.867 57 Q CB -0.321 28.438 28.738 0.034 0.000 0.911 57 Q HN 0.685 nan 8.270 nan 0.000 0.417 58 E N -1.541 118.709 120.200 0.082 0.000 2.106 58 E HA -0.154 4.196 4.350 0.001 0.000 0.192 58 E C 1.641 178.299 176.600 0.096 0.000 0.984 58 E CA 0.953 57.445 56.400 0.153 0.000 0.806 58 E CB -0.271 29.591 29.700 0.269 0.000 0.750 58 E HN 0.484 nan 8.360 nan 0.000 0.458 59 F N 0.994 120.752 119.950 -0.320 0.000 2.113 59 F HA -0.127 4.400 4.527 0.001 0.000 0.297 59 F C 1.698 177.199 175.800 -0.499 0.000 1.103 59 F CA 1.219 58.703 58.000 -0.861 0.000 1.248 59 F CB -0.230 38.078 39.000 -1.152 0.000 0.999 59 F HN -0.032 nan 8.300 nan 0.000 0.475 60 L N 0.267 121.155 121.223 -0.558 0.000 2.079 60 L HA -0.229 4.112 4.340 0.001 0.000 0.210 60 L C 2.124 178.764 176.870 -0.384 0.000 1.081 60 L CA 1.445 55.891 54.840 -0.656 0.000 0.752 60 L CB -0.948 40.955 42.059 -0.260 0.000 0.896 60 L HN 0.142 nan 8.230 nan 0.000 0.433 61 D N 0.092 120.407 120.400 -0.142 0.000 2.117 61 D HA -0.188 4.452 4.640 0.001 0.000 0.197 61 D C 2.237 178.554 176.300 0.029 0.000 0.987 61 D CA 1.165 55.174 54.000 0.016 0.000 0.829 61 D CB -0.042 40.800 40.800 0.070 0.000 0.961 61 D HN 0.265 nan 8.370 nan 0.000 0.460 62 L N -0.644 120.564 121.223 -0.025 0.000 2.131 62 L HA -0.111 4.230 4.340 0.001 0.000 0.206 62 L C 2.324 179.170 176.870 -0.041 0.000 1.087 62 L CA 0.705 55.621 54.840 0.127 0.000 0.767 62 L CB -0.114 42.098 42.059 0.255 0.000 0.917 62 L HN 0.041 nan 8.230 nan 0.000 0.441 63 Y N -0.916 118.955 120.300 -0.716 0.000 2.200 63 Y HA -0.326 4.225 4.550 0.001 0.000 0.290 63 Y C 2.176 177.774 175.900 -0.503 0.000 1.137 63 Y CA 1.804 59.288 58.100 -1.026 0.000 1.163 63 Y CB -0.200 37.042 38.460 -2.030 0.000 0.988 63 Y HN 0.132 nan 8.280 nan 0.000 0.518 64 Y N -0.118 119.974 120.300 -0.346 0.000 2.263 64 Y HA -0.051 4.500 4.550 0.001 0.000 0.292 64 Y C 2.620 178.444 175.900 -0.126 0.000 1.130 64 Y CA 0.721 58.654 58.100 -0.277 0.000 1.179 64 Y CB -1.209 37.153 38.460 -0.164 0.000 0.998 64 Y HN 0.259 nan 8.280 nan 0.000 0.532 65 A N 0.080 122.973 122.820 0.122 0.000 1.933 65 A HA -0.082 4.239 4.320 0.001 0.000 0.218 65 A C 2.611 180.321 177.584 0.209 0.000 1.175 65 A CA 1.661 53.800 52.037 0.170 0.000 0.628 65 A CB -1.430 17.711 19.000 0.236 0.000 0.814 65 A HN 0.445 nan 8.150 nan 0.000 0.444 66 G N -0.552 108.377 108.800 0.214 0.000 2.448 66 G HA2 0.029 3.989 3.960 0.001 0.000 0.219 66 G HA3 0.029 3.989 3.960 0.001 0.000 0.219 66 G C 1.554 176.516 174.900 0.103 0.000 1.127 66 G CA 1.177 46.397 45.100 0.200 0.000 0.766 66 G HN 0.812 nan 8.290 nan 0.000 0.552 67 A N 0.809 123.656 122.820 0.044 0.000 2.121 67 A HA -0.004 4.316 4.320 0.001 0.000 0.218 67 A C 1.940 179.575 177.584 0.086 0.000 1.154 67 A CA 1.852 53.927 52.037 0.063 0.000 0.679 67 A CB -0.390 18.652 19.000 0.070 0.000 0.795 67 A HN 0.367 nan 8.150 nan 0.000 0.458 68 D N 0.207 120.655 120.400 0.081 0.000 2.190 68 D HA -0.173 4.467 4.640 0.001 0.000 0.200 68 D C 1.830 178.151 176.300 0.035 0.000 0.992 68 D CA 1.942 55.980 54.000 0.065 0.000 0.854 68 D CB -0.183 40.653 40.800 0.060 0.000 0.936 68 D HN 0.439 nan 8.370 nan 0.000 0.462 69 V N -1.289 118.637 119.914 0.020 0.000 2.970 69 V HA 0.069 4.190 4.120 0.001 0.000 0.260 69 V C 1.078 177.119 176.094 -0.089 0.000 1.100 69 V CA 0.427 62.714 62.300 -0.021 0.000 1.122 69 V CB -0.808 31.007 31.823 -0.013 0.000 0.721 69 V HN 0.084 nan 8.190 nan 0.000 0.483 70 L N 1.671 122.810 121.223 -0.141 0.000 2.334 70 L HA 0.473 4.813 4.340 0.001 0.000 0.286 70 L C 1.370 178.097 176.870 -0.238 0.000 1.108 70 L CA 0.024 54.610 54.840 -0.423 0.000 0.875 70 L CB 0.390 42.027 42.059 -0.703 0.000 1.246 70 L HN 0.257 nan 8.230 nan 0.000 0.439 71 R N 0.226 120.645 120.500 -0.134 0.000 2.428 71 R HA 0.194 4.535 4.340 0.001 0.000 0.193 71 R C 0.299 176.698 176.300 0.164 0.000 0.852 71 R CA 0.032 56.179 56.100 0.078 0.000 1.055 71 R CB 0.501 30.829 30.300 0.046 0.000 1.343 71 R HN 0.406 nan 8.270 nan 0.000 0.655 72 T N 1.010 115.618 114.554 0.090 0.000 2.902 72 T HA 0.054 4.405 4.350 0.001 0.000 0.280 72 T C 0.942 175.786 174.700 0.240 0.000 0.992 72 T CA -0.462 61.715 62.100 0.128 0.000 1.015 72 T CB 2.348 71.253 68.868 0.062 0.000 1.044 72 T HN 0.184 nan 8.240 nan 0.000 0.520 73 E N 0.728 121.045 120.200 0.194 0.000 2.085 73 E HA -0.288 4.062 4.350 0.001 0.000 0.194 73 E C 1.969 178.688 176.600 0.198 0.000 0.994 73 E CA 1.439 57.959 56.400 0.199 0.000 0.801 73 E CB -0.014 29.738 29.700 0.087 0.000 0.743 73 E HN 0.570 nan 8.360 nan 0.000 0.453 74 Q N 1.002 120.873 119.800 0.117 0.000 2.135 74 Q HA -0.204 4.137 4.340 0.001 0.000 0.204 74 Q C 1.547 177.631 176.000 0.140 0.000 0.981 74 Q CA 2.264 58.133 55.803 0.109 0.000 0.856 74 Q CB -0.186 28.579 28.738 0.045 0.000 0.902 74 Q HN 0.371 nan 8.270 nan 0.000 0.425 75 D N -0.748 119.685 120.400 0.054 0.000 2.104 75 D HA -0.170 4.471 4.640 0.001 0.000 0.194 75 D C 1.581 177.803 176.300 -0.130 0.000 0.994 75 D CA 1.263 55.210 54.000 -0.089 0.000 0.830 75 D CB -0.365 40.276 40.800 -0.265 0.000 0.959 75 D HN 0.324 nan 8.370 nan 0.000 0.452 76 F N -0.266 119.699 119.950 0.025 0.000 2.234 76 F HA -0.116 4.412 4.527 0.001 0.000 0.299 76 F C 2.337 178.161 175.800 0.040 0.000 1.087 76 F CA 0.501 58.495 58.000 -0.009 0.000 1.340 76 F CB -0.690 38.260 39.000 -0.084 0.000 1.031 76 F HN -0.005 nan 8.300 nan 0.000 0.500 77 Y N 1.303 121.687 120.300 0.140 0.000 2.114 77 Y HA -0.255 4.295 4.550 0.001 0.000 0.284 77 Y C 2.180 178.165 175.900 0.143 0.000 1.143 77 Y CA 1.843 59.998 58.100 0.093 0.000 1.135 77 Y CB -0.535 37.937 38.460 0.020 0.000 0.980 77 Y HN -0.066 nan 8.280 nan 0.000 0.499 78 D N 0.314 120.859 120.400 0.243 0.000 2.104 78 D HA -0.209 4.431 4.640 0.001 0.000 0.194 78 D C 2.168 178.527 176.300 0.100 0.000 0.994 78 D CA 1.575 55.691 54.000 0.193 0.000 0.830 78 D CB -0.664 40.238 40.800 0.169 0.000 0.959 78 D HN 0.422 nan 8.370 nan 0.000 0.452 79 L N 0.742 122.004 121.223 0.065 0.000 1.989 79 L HA -0.167 4.173 4.340 0.001 0.000 0.211 79 L C 2.205 179.139 176.870 0.106 0.000 1.071 79 L CA 1.902 56.785 54.840 0.072 0.000 0.749 79 L CB -0.966 41.114 42.059 0.036 0.000 0.890 79 L HN -0.042 nan 8.230 nan 0.000 0.431 80 T N -0.972 113.632 114.554 0.083 0.000 2.777 80 T HA -0.251 4.099 4.350 0.001 0.000 0.266 80 T C 1.510 176.268 174.700 0.096 0.000 1.040 80 T CA 1.624 63.787 62.100 0.105 0.000 1.141 80 T CB -0.650 68.244 68.868 0.042 0.000 0.868 80 T HN 0.599 nan 8.240 nan 0.000 0.444 81 W N 1.771 122.878 121.300 -0.321 0.000 2.358 81 W HA -0.162 4.499 4.660 0.001 0.000 0.303 81 W C 2.552 178.979 176.519 -0.152 0.000 1.208 81 W CA 0.935 58.064 57.345 -0.359 0.000 1.274 81 W CB -0.227 28.847 29.460 -0.643 0.000 1.138 81 W HN 0.295 nan 8.180 nan 0.000 0.515 82 A N -0.244 122.530 122.820 -0.077 0.000 1.933 82 A HA -0.305 4.015 4.320 0.001 0.000 0.218 82 A C 1.705 179.217 177.584 -0.121 0.000 1.175 82 A CA 1.738 53.687 52.037 -0.146 0.000 0.628 82 A CB -1.629 17.365 19.000 -0.010 0.000 0.814 82 A HN 0.584 nan 8.150 nan 0.000 0.444 83 Y N 0.600 120.849 120.300 -0.084 0.000 2.224 83 Y HA -0.123 4.428 4.550 0.001 0.000 0.289 83 Y C 1.790 177.620 175.900 -0.116 0.000 1.146 83 Y CA 1.669 59.756 58.100 -0.023 0.000 1.182 83 Y CB -0.375 38.137 38.460 0.086 0.000 0.983 83 Y HN 0.209 nan 8.280 nan 0.000 0.524 84 L N -0.065 120.896 121.223 -0.436 0.000 2.093 84 L HA -0.218 4.123 4.340 0.001 0.000 0.208 84 L C 2.498 179.021 176.870 -0.579 0.000 1.085 84 L CA 1.468 55.979 54.840 -0.548 0.000 0.755 84 L CB -0.611 41.273 42.059 -0.292 0.000 0.904 84 L HN 0.237 nan 8.230 nan 0.000 0.435 85 Q N -0.263 119.142 119.800 -0.659 0.000 2.170 85 Q HA -0.170 4.171 4.340 0.001 0.000 0.203 85 Q C 2.149 177.891 176.000 -0.429 0.000 0.976 85 Q CA 0.948 56.398 55.803 -0.588 0.000 0.858 85 Q CB 0.052 28.408 28.738 -0.635 0.000 0.907 85 Q HN 0.291 nan 8.270 nan 0.000 0.433 86 K N 0.180 120.315 120.400 -0.442 0.000 2.097 86 K HA -0.105 4.216 4.320 0.001 0.000 0.206 86 K C 2.046 178.419 176.600 -0.378 0.000 1.049 86 K CA 0.920 56.941 56.287 -0.443 0.000 0.933 86 K CB -0.479 31.662 32.500 -0.599 0.000 0.717 86 K HN 0.284 nan 8.250 nan 0.000 0.442 87 C N 0.844 119.873 119.300 -0.453 0.000 2.440 87 C HA -0.043 4.417 4.460 0.001 0.000 0.278 87 C C 2.700 177.537 174.990 -0.255 0.000 1.295 87 C CA 0.543 59.348 59.018 -0.356 0.000 1.738 87 C CB -0.446 27.016 27.740 -0.463 0.000 1.987 87 C HN 0.451 nan 8.230 nan 0.000 0.492 88 K N 2.079 122.315 120.400 -0.274 0.000 2.063 88 K HA -0.097 4.223 4.320 0.001 0.000 0.208 88 K C 1.961 178.455 176.600 -0.177 0.000 1.048 88 K CA 2.051 58.214 56.287 -0.207 0.000 0.928 88 K CB -0.519 31.848 32.500 -0.222 0.000 0.713 88 K HN 0.381 nan 8.250 nan 0.000 0.442 89 A N 0.167 122.871 122.820 -0.194 0.000 2.014 89 A HA -0.081 4.239 4.320 0.001 0.000 0.218 89 A C 1.484 178.984 177.584 -0.140 0.000 1.163 89 A CA 1.219 53.164 52.037 -0.153 0.000 0.652 89 A CB -0.231 18.676 19.000 -0.154 0.000 0.808 89 A HN 0.491 nan 8.150 nan 0.000 0.449 90 Q N -0.906 118.800 119.800 -0.157 0.000 2.204 90 Q HA 0.132 4.472 4.340 0.001 0.000 0.209 90 Q C -0.627 175.273 176.000 -0.167 0.000 0.861 90 Q CA -0.068 55.643 55.803 -0.154 0.000 0.971 90 Q CB -0.040 28.628 28.738 -0.115 0.000 1.095 90 Q HN 0.758 nan 8.270 nan 0.000 0.486 91 N N -0.390 118.216 118.700 -0.156 0.000 2.693 91 N HA -0.157 4.584 4.740 0.001 0.000 0.249 91 N C -0.919 174.516 175.510 -0.126 0.000 1.119 91 N CA 0.264 53.226 53.050 -0.147 0.000 0.717 91 N CB -1.015 37.367 38.487 -0.174 0.000 1.071 91 N HN 0.029 nan 8.380 nan 0.000 0.555 92 V N 1.466 121.313 119.914 -0.112 0.000 2.381 92 V HA 0.050 4.170 4.120 0.001 0.000 0.257 92 V C 1.666 177.725 176.094 -0.058 0.000 1.057 92 V CA 0.381 62.641 62.300 -0.066 0.000 1.013 92 V CB 0.830 32.618 31.823 -0.058 0.000 1.069 92 V HN 0.299 nan 8.190 nan 0.000 0.484 93 V N 1.166 121.070 119.914 -0.016 0.000 3.235 93 V HA 0.228 4.349 4.120 0.001 0.000 0.259 93 V C 0.770 176.909 176.094 0.074 0.000 1.133 93 V CA 0.766 63.070 62.300 0.007 0.000 1.128 93 V CB -0.389 31.439 31.823 0.007 0.000 0.757 93 V HN 0.845 nan 8.190 nan 0.000 0.469 94 H N 0.718 119.780 119.070 -0.012 0.000 2.759 94 H HA 0.646 5.203 4.556 0.001 0.000 0.354 94 H C -1.564 173.790 175.328 0.043 0.000 1.074 94 H CA 0.100 56.156 56.048 0.013 0.000 1.226 94 H CB 2.359 32.123 29.762 0.004 0.000 1.648 94 H HN 0.270 nan 8.280 nan 0.000 0.529 95 V N 2.197 121.975 119.914 -0.227 0.000 2.656 95 V HA 0.572 4.692 4.120 0.001 0.000 0.307 95 V C -0.524 175.526 176.094 -0.074 0.000 1.051 95 V CA -0.773 61.519 62.300 -0.013 0.000 0.893 95 V CB 2.128 34.025 31.823 0.124 0.000 0.999 95 V HN 0.827 nan 8.190 nan 0.000 0.426 96 E N 4.576 124.787 120.200 0.017 0.000 3.374 96 E HA 0.387 4.737 4.350 0.001 0.000 0.223 96 E C -2.857 173.648 176.600 -0.159 0.000 1.210 96 E CA -1.561 54.833 56.400 -0.010 0.000 0.987 96 E CB 1.714 31.448 29.700 0.058 0.000 1.322 96 E HN 0.681 nan 8.360 nan 0.000 0.404 97 P HA 0.224 nan 4.420 nan 0.000 0.281 97 P C -0.679 176.535 177.300 -0.144 0.000 1.249 97 P CA -0.455 62.515 63.100 -0.218 0.000 0.810 97 P CB 0.624 32.288 31.700 -0.060 0.000 1.008 98 F N 1.400 121.348 119.950 -0.003 0.000 2.370 98 F HA 0.552 5.079 4.527 0.001 0.000 0.324 98 F C 0.641 176.603 175.800 0.271 0.000 1.116 98 F CA -0.141 57.895 58.000 0.059 0.000 1.123 98 F CB 0.141 39.042 39.000 -0.165 0.000 1.238 98 F HN 0.246 nan 8.300 nan 0.000 0.536 99 F N -1.014 119.088 119.950 0.254 0.000 2.626 99 F HA 0.613 5.141 4.527 0.001 0.000 0.311 99 F C -1.355 174.532 175.800 0.145 0.000 1.088 99 F CA -1.804 56.328 58.000 0.220 0.000 0.949 99 F CB 1.293 40.380 39.000 0.144 0.000 1.322 99 F HN 0.252 nan 8.300 nan 0.000 0.461 100 D N 3.682 124.065 120.400 -0.028 0.000 2.458 100 D HA 0.275 4.916 4.640 0.001 0.000 0.258 100 D C -2.137 173.975 176.300 -0.314 0.000 1.134 100 D CA -1.405 52.445 54.000 -0.250 0.000 0.915 100 D CB 1.435 42.200 40.800 -0.059 0.000 1.028 100 D HN 0.238 nan 8.370 nan 0.000 0.508 101 P HA -0.234 nan 4.420 nan 0.000 0.216 101 P C 1.440 178.680 177.300 -0.100 0.000 1.157 101 P CA 1.543 64.519 63.100 -0.206 0.000 0.880 101 P CB 0.451 32.033 31.700 -0.197 0.000 0.791 102 Q N -1.344 118.367 119.800 -0.149 0.000 2.135 102 Q HA -0.142 4.198 4.340 0.001 0.000 0.204 102 Q C 2.115 178.007 176.000 -0.180 0.000 0.981 102 Q CA 1.910 57.644 55.803 -0.115 0.000 0.856 102 Q CB -1.099 27.566 28.738 -0.121 0.000 0.902 102 Q HN 0.268 nan 8.270 nan 0.000 0.425 103 T N 0.259 114.620 114.554 -0.322 0.000 2.778 103 T HA -0.167 4.183 4.350 0.001 0.000 0.269 103 T C 1.318 175.812 174.700 -0.343 0.000 1.050 103 T CA 1.470 63.329 62.100 -0.402 0.000 1.137 103 T CB -0.168 68.381 68.868 -0.532 0.000 0.860 103 T HN 0.441 nan 8.240 nan 0.000 0.468 104 H N 0.248 119.349 119.070 0.051 0.000 2.439 104 H HA 0.115 4.671 4.556 0.001 0.000 0.299 104 H C 2.816 178.182 175.328 0.064 0.000 1.033 104 H CA 1.688 57.797 56.048 0.102 0.000 1.348 104 H CB -0.930 28.932 29.762 0.167 0.000 1.449 104 H HN 0.483 nan 8.280 nan 0.000 0.544 105 T N 0.021 114.656 114.554 0.134 0.000 2.788 105 T HA -0.138 4.212 4.350 0.001 0.000 0.268 105 T C 1.414 176.151 174.700 0.061 0.000 1.044 105 T CA 1.509 63.673 62.100 0.106 0.000 1.139 105 T CB -0.285 68.658 68.868 0.125 0.000 0.867 105 T HN 0.061 nan 8.240 nan 0.000 0.454 106 D N 1.481 121.891 120.400 0.016 0.000 2.310 106 D HA 0.018 4.658 4.640 0.001 0.000 0.212 106 D C 2.061 178.366 176.300 0.009 0.000 0.965 106 D CA 0.607 54.602 54.000 -0.007 0.000 0.879 106 D CB -0.180 40.587 40.800 -0.055 0.000 0.921 106 D HN 0.505 nan 8.370 nan 0.000 0.510 107 R N -0.912 119.611 120.500 0.037 0.000 2.317 107 R HA 0.275 4.616 4.340 0.001 0.000 0.208 107 R C 1.261 177.599 176.300 0.064 0.000 0.914 107 R CA 0.511 56.641 56.100 0.050 0.000 1.060 107 R CB 0.694 31.040 30.300 0.076 0.000 1.015 107 R HN 0.100 nan 8.270 nan 0.000 0.498 108 G N 0.788 109.629 108.800 0.068 0.000 2.179 108 G HA2 -0.221 3.739 3.960 0.001 0.000 0.220 108 G HA3 -0.221 3.739 3.960 0.001 0.000 0.220 108 G C -0.082 174.870 174.900 0.087 0.000 0.990 108 G CA -0.607 44.534 45.100 0.068 0.000 0.646 108 G HN 0.100 nan 8.290 nan 0.000 0.517 109 I N 2.855 123.494 120.570 0.115 0.000 2.416 109 I HA 0.379 4.550 4.170 0.001 0.000 0.288 109 I C -1.706 174.472 176.117 0.101 0.000 1.051 109 I CA -2.389 58.988 61.300 0.128 0.000 1.375 109 I CB 0.866 38.986 38.000 0.200 0.000 1.407 109 I HN -0.132 nan 8.210 nan 0.000 0.516 110 P HA -0.010 nan 4.420 nan 0.000 0.268 110 P C 0.625 177.969 177.300 0.073 0.000 1.205 110 P CA -0.032 63.128 63.100 0.099 0.000 0.771 110 P CB 0.383 32.138 31.700 0.091 0.000 0.858 111 F N 3.190 123.125 119.950 -0.025 0.000 2.126 111 F HA -0.217 4.311 4.527 0.001 0.000 0.299 111 F C 2.158 177.836 175.800 -0.203 0.000 1.096 111 F CA 1.868 59.813 58.000 -0.091 0.000 1.255 111 F CB -0.165 38.789 39.000 -0.076 0.000 0.997 111 F HN 0.416 nan 8.300 nan 0.000 0.479 112 E N -0.271 119.981 120.200 0.087 0.000 2.110 112 E HA -0.180 4.171 4.350 0.001 0.000 0.193 112 E C 2.139 178.682 176.600 -0.096 0.000 0.988 112 E CA 1.506 57.914 56.400 0.013 0.000 0.804 112 E CB -0.201 29.662 29.700 0.272 0.000 0.745 112 E HN 0.327 nan 8.360 nan 0.000 0.458 113 V N 0.381 120.244 119.914 -0.085 0.000 2.295 113 V HA -0.262 3.859 4.120 0.001 0.000 0.246 113 V C 2.413 178.326 176.094 -0.303 0.000 1.049 113 V CA 1.570 63.810 62.300 -0.100 0.000 1.024 113 V CB -0.324 31.490 31.823 -0.015 0.000 0.648 113 V HN 0.234 nan 8.190 nan 0.000 0.447 114 V N -0.233 119.327 119.914 -0.590 0.000 2.255 114 V HA -0.269 3.852 4.120 0.001 0.000 0.247 114 V C 2.375 178.010 176.094 -0.766 0.000 1.051 114 V CA 2.293 63.913 62.300 -1.133 0.000 1.018 114 V CB -0.697 30.510 31.823 -1.025 0.000 0.641 114 V HN 0.520 nan 8.190 nan 0.000 0.445 115 L N 0.703 121.537 121.223 -0.648 0.000 2.056 115 L HA -0.001 4.340 4.340 0.001 0.000 0.207 115 L C 2.451 179.149 176.870 -0.286 0.000 1.078 115 L CA 2.183 56.708 54.840 -0.526 0.000 0.749 115 L CB -1.082 40.660 42.059 -0.528 0.000 0.901 115 L HN 0.213 nan 8.230 nan 0.000 0.433 116 A N -0.251 122.460 122.820 -0.181 0.000 1.859 116 A HA -0.169 4.152 4.320 0.001 0.000 0.217 116 A C 2.371 179.933 177.584 -0.038 0.000 1.198 116 A CA 1.994 53.993 52.037 -0.063 0.000 0.629 116 A CB -1.728 17.262 19.000 -0.017 0.000 0.830 116 A HN 0.524 nan 8.150 nan 0.000 0.446 117 G N -0.313 108.477 108.800 -0.016 0.000 2.440 117 G HA2 -0.195 3.765 3.960 0.001 0.000 0.218 117 G HA3 -0.195 3.765 3.960 0.001 0.000 0.218 117 G C 1.553 176.514 174.900 0.102 0.000 1.154 117 G CA 1.167 46.342 45.100 0.124 0.000 0.767 117 G HN 0.493 nan 8.290 nan 0.000 0.552 118 I N -0.049 120.491 120.570 -0.050 0.000 2.163 118 I HA -0.126 4.044 4.170 0.001 0.000 0.240 118 I C 2.843 178.886 176.117 -0.124 0.000 1.081 118 I CA 1.184 62.418 61.300 -0.109 0.000 1.353 118 I CB -0.221 37.606 38.000 -0.288 0.000 1.054 118 I HN 0.063 nan 8.210 nan 0.000 0.407 119 R N 1.613 122.020 120.500 -0.156 0.000 2.091 119 R HA -0.158 4.182 4.340 0.001 0.000 0.238 119 R C 2.186 178.434 176.300 -0.087 0.000 1.136 119 R CA 1.978 57.989 56.100 -0.149 0.000 0.959 119 R CB -0.908 29.320 30.300 -0.119 0.000 0.856 119 R HN 0.398 nan 8.270 nan 0.000 0.437 120 A N -0.068 122.751 122.820 -0.002 0.000 1.902 120 A HA -0.069 4.252 4.320 0.001 0.000 0.217 120 A C 2.357 180.017 177.584 0.126 0.000 1.181 120 A CA 1.951 54.026 52.037 0.063 0.000 0.623 120 A CB -1.041 18.015 19.000 0.094 0.000 0.818 120 A HN 0.469 nan 8.150 nan 0.000 0.443 121 A N -0.387 122.502 122.820 0.116 0.000 1.930 121 A HA 0.020 4.340 4.320 0.001 0.000 0.217 121 A C 2.131 179.701 177.584 -0.024 0.000 1.175 121 A CA 1.372 53.358 52.037 -0.085 0.000 0.627 121 A CB -0.561 18.247 19.000 -0.319 0.000 0.815 121 A HN 0.470 nan 8.150 nan 0.000 0.443 122 L N -1.009 120.135 121.223 -0.131 0.000 2.131 122 L HA -0.173 4.168 4.340 0.001 0.000 0.210 122 L C 2.718 179.461 176.870 -0.212 0.000 1.092 122 L CA 1.525 56.178 54.840 -0.311 0.000 0.759 122 L CB -0.415 41.186 42.059 -0.763 0.000 0.903 122 L HN 0.388 nan 8.230 nan 0.000 0.435 123 R N 0.730 121.164 120.500 -0.109 0.000 2.066 123 R HA -0.162 4.179 4.340 0.001 0.000 0.232 123 R C 1.793 178.116 176.300 0.037 0.000 1.131 123 R CA 1.811 57.917 56.100 0.009 0.000 0.955 123 R CB -0.627 29.672 30.300 -0.001 0.000 0.851 123 R HN 0.248 nan 8.270 nan 0.000 0.432 124 D N -0.568 119.833 120.400 0.002 0.000 2.149 124 D HA -0.092 4.548 4.640 0.001 0.000 0.198 124 D C 1.746 178.164 176.300 0.196 0.000 0.990 124 D CA 1.668 55.659 54.000 -0.015 0.000 0.839 124 D CB -0.693 39.882 40.800 -0.376 0.000 0.948 124 D HN 0.514 nan 8.370 nan 0.000 0.460 125 G N 0.681 109.642 108.800 0.268 0.000 2.440 125 G HA2 -0.313 3.648 3.960 0.001 0.000 0.218 125 G HA3 -0.313 3.648 3.960 0.001 0.000 0.218 125 G C 1.489 176.487 174.900 0.163 0.000 1.154 125 G CA 0.940 46.196 45.100 0.259 0.000 0.767 125 G HN 0.341 nan 8.290 nan 0.000 0.552 126 E N 0.889 121.186 120.200 0.163 0.000 2.016 126 E HA -0.141 4.209 4.350 0.001 0.000 0.190 126 E C 2.463 179.117 176.600 0.091 0.000 0.985 126 E CA 1.437 57.919 56.400 0.138 0.000 0.802 126 E CB -0.117 29.692 29.700 0.181 0.000 0.762 126 E HN 0.575 nan 8.360 nan 0.000 0.448 127 K N -0.148 120.302 120.400 0.084 0.000 2.296 127 K HA -0.025 4.296 4.320 0.001 0.000 0.200 127 K C 1.975 178.612 176.600 0.063 0.000 1.048 127 K CA 0.937 57.258 56.287 0.057 0.000 0.966 127 K CB 0.048 32.571 32.500 0.038 0.000 0.754 127 K HN 0.183 nan 8.250 nan 0.000 0.466 128 L N 0.278 121.561 121.223 0.099 0.000 2.316 128 L HA 0.159 4.500 4.340 0.001 0.000 0.207 128 L C 1.960 178.899 176.870 0.114 0.000 1.070 128 L CA 0.256 55.169 54.840 0.122 0.000 0.820 128 L CB 0.054 42.232 42.059 0.197 0.000 0.992 128 L HN 0.103 nan 8.230 nan 0.000 0.466 129 L N -0.904 120.388 121.223 0.116 0.000 2.609 129 L HA 0.334 4.674 4.340 0.001 0.000 0.230 129 L C 1.289 178.173 176.870 0.022 0.000 1.087 129 L CA 0.540 55.411 54.840 0.051 0.000 0.874 129 L CB 0.040 42.109 42.059 0.017 0.000 1.114 129 L HN 0.393 nan 8.230 nan 0.000 0.488 130 G N 1.791 110.615 108.800 0.040 0.000 2.160 130 G HA2 -0.271 3.689 3.960 0.001 0.000 0.251 130 G HA3 -0.271 3.689 3.960 0.001 0.000 0.251 130 G C 0.126 175.038 174.900 0.020 0.000 1.008 130 G CA -0.061 45.054 45.100 0.025 0.000 0.724 130 G HN 0.310 nan 8.290 nan 0.000 0.514 131 I N 1.417 122.003 120.570 0.028 0.000 2.304 131 I HA 0.376 4.547 4.170 0.001 0.000 0.291 131 I C 0.829 176.964 176.117 0.031 0.000 1.018 131 I CA -0.994 60.314 61.300 0.013 0.000 1.260 131 I CB 0.762 38.750 38.000 -0.021 0.000 1.390 131 I HN -0.041 nan 8.210 nan 0.000 0.475 132 R N 4.688 125.172 120.500 -0.026 0.000 2.531 132 R HA 0.447 4.788 4.340 0.001 0.000 0.273 132 R C -0.516 175.580 176.300 -0.339 0.000 1.070 132 R CA -0.528 55.488 56.100 -0.140 0.000 1.112 132 R CB 0.896 31.187 30.300 -0.015 0.000 1.049 132 R HN 0.728 nan 8.270 nan 0.000 0.508 133 H N -3.073 115.829 119.070 -0.281 0.000 2.980 133 H HA 0.670 5.226 4.556 0.001 0.000 0.367 133 H C -0.608 174.632 175.328 -0.147 0.000 1.206 133 H CA -1.091 54.799 56.048 -0.263 0.000 1.126 133 H CB 1.868 31.564 29.762 -0.110 0.000 1.838 133 H HN 0.731 nan 8.280 nan 0.000 0.552 134 G N 1.887 110.719 108.800 0.054 0.000 2.975 134 G HA2 0.390 4.351 3.960 0.001 0.000 0.299 134 G HA3 0.390 4.351 3.960 0.001 0.000 0.299 134 G C -1.477 173.523 174.900 0.167 0.000 1.587 134 G CA -0.737 44.435 45.100 0.119 0.000 1.052 134 G HN 0.630 nan 8.290 nan 0.000 0.545 135 L N 2.786 124.137 121.223 0.214 0.000 2.513 135 L HA 0.413 4.753 4.340 0.001 0.000 0.272 135 L C 0.030 177.140 176.870 0.401 0.000 1.187 135 L CA 0.112 55.107 54.840 0.257 0.000 0.895 135 L CB 0.201 42.388 42.059 0.213 0.000 1.147 135 L HN 0.399 nan 8.230 nan 0.000 0.483 136 I N 6.692 127.492 120.570 0.384 0.000 2.355 136 I HA 0.230 4.400 4.170 0.001 0.000 0.288 136 I C -0.350 176.004 176.117 0.396 0.000 0.999 136 I CA -0.662 60.876 61.300 0.397 0.000 1.163 136 I CB 1.449 39.678 38.000 0.381 0.000 1.316 136 I HN 0.504 nan 8.210 nan 0.000 0.454 137 L N 6.131 127.427 121.223 0.121 0.000 2.315 137 L HA 0.284 4.624 4.340 0.001 0.000 0.283 137 L C 0.289 176.789 176.870 -0.618 0.000 1.089 137 L CA 0.352 54.949 54.840 -0.406 0.000 0.833 137 L CB 0.939 42.508 42.059 -0.816 0.000 1.170 137 L HN 0.603 nan 8.230 nan 0.000 0.442 138 S N 4.149 119.479 115.700 -0.617 0.000 2.525 138 S HA 0.583 5.054 4.470 0.001 0.000 0.290 138 S C -0.564 173.638 174.600 -0.664 0.000 1.152 138 S CA -0.574 57.278 58.200 -0.581 0.000 1.072 138 S CB 0.552 63.508 63.200 -0.407 0.000 1.027 138 S HN 0.414 nan 8.310 nan 0.000 0.500 139 F N 3.114 122.860 119.950 -0.339 0.000 2.379 139 F HA 0.445 4.972 4.527 0.001 0.000 0.332 139 F C 0.316 175.893 175.800 -0.372 0.000 1.096 139 F CA -0.967 56.811 58.000 -0.370 0.000 1.105 139 F CB 0.776 39.512 39.000 -0.439 0.000 1.189 139 F HN 0.342 nan 8.300 nan 0.000 0.515 140 L N 4.623 125.765 121.223 -0.136 0.000 2.363 140 L HA 0.297 4.638 4.340 0.001 0.000 0.286 140 L C 1.659 178.349 176.870 -0.301 0.000 1.106 140 L CA -0.309 54.410 54.840 -0.202 0.000 0.859 140 L CB 0.553 42.445 42.059 -0.279 0.000 1.223 140 L HN 0.717 nan 8.230 nan 0.000 0.446 141 R N 3.035 123.391 120.500 -0.239 0.000 2.237 141 R HA -0.147 4.194 4.340 0.001 0.000 0.219 141 R C 1.523 177.761 176.300 -0.103 0.000 1.080 141 R CA 1.251 57.255 56.100 -0.161 0.000 0.995 141 R CB -0.323 29.950 30.300 -0.046 0.000 0.875 141 R HN 0.771 nan 8.270 nan 0.000 0.462 142 H N 0.016 118.863 119.070 -0.370 0.000 2.551 142 H HA 0.222 4.779 4.556 0.001 0.000 0.266 142 H C 0.598 175.763 175.328 -0.273 0.000 0.977 142 H CA -0.170 55.425 56.048 -0.755 0.000 1.163 142 H CB -0.072 29.412 29.762 -0.463 0.000 1.381 142 H HN 0.157 nan 8.280 nan 0.000 0.581 143 L N 1.382 122.304 121.223 -0.502 0.000 2.569 143 L HA 0.216 4.556 4.340 0.001 0.000 0.247 143 L C 0.908 177.756 176.870 -0.036 0.000 1.135 143 L CA -0.836 53.850 54.840 -0.257 0.000 0.812 143 L CB 0.858 42.729 42.059 -0.313 0.000 1.431 143 L HN 0.166 nan 8.230 nan 0.000 0.499 144 S N -1.654 114.019 115.700 -0.045 0.000 2.617 144 S HA 0.081 4.551 4.470 0.001 0.000 0.269 144 S C 0.725 175.310 174.600 -0.026 0.000 1.292 144 S CA -0.495 57.663 58.200 -0.070 0.000 1.010 144 S CB 1.387 64.539 63.200 -0.080 0.000 0.944 144 S HN 0.711 nan 8.310 nan 0.000 0.536 145 E N 0.767 120.839 120.200 -0.213 0.000 2.118 145 E HA -0.270 4.080 4.350 0.001 0.000 0.195 145 E C 1.819 178.368 176.600 -0.086 0.000 0.992 145 E CA 1.605 57.913 56.400 -0.153 0.000 0.804 145 E CB -0.198 29.319 29.700 -0.304 0.000 0.741 145 E HN 0.901 nan 8.360 nan 0.000 0.458 146 E N 0.139 120.281 120.200 -0.097 0.000 2.085 146 E HA -0.275 4.075 4.350 0.001 0.000 0.194 146 E C 2.138 178.695 176.600 -0.071 0.000 0.994 146 E CA 1.450 57.802 56.400 -0.080 0.000 0.801 146 E CB 0.015 29.673 29.700 -0.070 0.000 0.743 146 E HN 0.379 nan 8.360 nan 0.000 0.453 147 Q N -0.275 119.489 119.800 -0.060 0.000 2.124 147 Q HA -0.128 4.212 4.340 0.001 0.000 0.202 147 Q C 2.184 178.146 176.000 -0.065 0.000 0.977 147 Q CA 1.294 57.063 55.803 -0.056 0.000 0.850 147 Q CB -0.115 28.587 28.738 -0.061 0.000 0.901 147 Q HN 0.365 nan 8.270 nan 0.000 0.429 148 A N 0.714 123.475 122.820 -0.099 0.000 1.972 148 A HA -0.202 4.119 4.320 0.001 0.000 0.219 148 A C 2.014 179.409 177.584 -0.316 0.000 1.169 148 A CA 1.062 52.933 52.037 -0.277 0.000 0.635 148 A CB -0.273 18.361 19.000 -0.610 0.000 0.810 148 A HN 0.251 nan 8.150 nan 0.000 0.446 149 Q N 0.071 119.740 119.800 -0.218 0.000 2.084 149 Q HA -0.147 4.193 4.340 0.001 0.000 0.202 149 Q C 1.894 177.837 176.000 -0.094 0.000 0.978 149 Q CA 1.528 57.235 55.803 -0.161 0.000 0.844 149 Q CB -0.313 28.357 28.738 -0.113 0.000 0.898 149 Q HN 0.695 nan 8.270 nan 0.000 0.426 150 K N -0.176 120.182 120.400 -0.071 0.000 2.147 150 K HA -0.064 4.256 4.320 0.001 0.000 0.205 150 K C 2.113 178.687 176.600 -0.043 0.000 1.049 150 K CA 1.354 57.613 56.287 -0.047 0.000 0.936 150 K CB 0.002 32.481 32.500 -0.035 0.000 0.722 150 K HN 0.155 nan 8.250 nan 0.000 0.446 151 T N 1.876 116.421 114.554 -0.016 0.000 2.812 151 T HA -0.094 4.257 4.350 0.001 0.000 0.264 151 T C 1.669 176.366 174.700 -0.005 0.000 1.042 151 T CA 0.650 62.764 62.100 0.022 0.000 1.140 151 T CB -0.150 68.802 68.868 0.140 0.000 0.870 151 T HN 0.059 nan 8.240 nan 0.000 0.445 152 L N 2.028 123.277 121.223 0.043 0.000 2.079 152 L HA -0.111 4.229 4.340 0.001 0.000 0.210 152 L C 1.665 178.510 176.870 -0.042 0.000 1.081 152 L CA 1.856 56.682 54.840 -0.023 0.000 0.752 152 L CB -0.866 41.146 42.059 -0.079 0.000 0.896 152 L HN 0.112 nan 8.230 nan 0.000 0.433 153 D N -0.912 119.459 120.400 -0.047 0.000 2.144 153 D HA -0.184 4.456 4.640 0.001 0.000 0.200 153 D C 2.161 178.426 176.300 -0.060 0.000 0.978 153 D CA 1.107 55.089 54.000 -0.031 0.000 0.833 153 D CB -0.095 40.687 40.800 -0.030 0.000 0.961 153 D HN 0.541 nan 8.370 nan 0.000 0.470 154 Q N 0.072 119.775 119.800 -0.163 0.000 2.226 154 Q HA -0.010 4.330 4.340 0.001 0.000 0.204 154 Q C 1.851 177.595 176.000 -0.426 0.000 0.975 154 Q CA 1.212 56.812 55.803 -0.338 0.000 0.866 154 Q CB 0.049 28.442 28.738 -0.575 0.000 0.915 154 Q HN 0.206 nan 8.270 nan 0.000 0.440 155 A N 0.149 122.814 122.820 -0.258 0.000 2.147 155 A HA 0.064 4.385 4.320 0.001 0.000 0.211 155 A C 1.891 179.746 177.584 0.452 0.000 1.160 155 A CA -0.025 52.091 52.037 0.132 0.000 0.781 155 A CB -0.146 18.939 19.000 0.141 0.000 0.842 155 A HN 0.214 nan 8.150 nan 0.000 0.475 156 L N -0.023 121.365 121.223 0.274 0.000 1.997 156 L HA -0.177 4.163 4.340 0.001 0.000 0.216 156 L C -0.492 176.498 176.870 0.200 0.000 1.074 156 L CA 1.939 56.943 54.840 0.273 0.000 0.763 156 L CB -1.748 40.404 42.059 0.156 0.000 0.890 156 L HN 0.248 nan 8.230 nan 0.000 0.434 157 P HA -0.141 nan 4.420 nan 0.000 0.222 157 P C 1.166 178.378 177.300 -0.146 0.000 1.147 157 P CA 1.412 64.467 63.100 -0.075 0.000 0.790 157 P CB -0.018 31.556 31.700 -0.210 0.000 0.780 158 F N -0.408 119.652 119.950 0.185 0.000 2.727 158 F HA 0.192 4.719 4.527 0.001 0.000 0.302 158 F C 2.233 178.118 175.800 0.142 0.000 1.097 158 F CA -0.350 57.769 58.000 0.198 0.000 1.330 158 F CB -0.458 38.817 39.000 0.457 0.000 1.084 158 F HN -0.166 nan 8.300 nan 0.000 0.578 159 R N 0.617 121.328 120.500 0.351 0.000 2.140 159 R HA -0.230 4.110 4.340 0.001 0.000 0.250 159 R C 1.043 177.294 176.300 -0.080 0.000 1.150 159 R CA 2.318 58.537 56.100 0.199 0.000 0.966 159 R CB -1.060 29.199 30.300 -0.068 0.000 0.869 159 R HN 0.168 nan 8.270 nan 0.000 0.445 160 D N 1.111 121.449 120.400 -0.103 0.000 2.265 160 D HA -0.112 4.529 4.640 0.001 0.000 0.208 160 D C 1.733 177.922 176.300 -0.185 0.000 0.977 160 D CA 1.531 55.452 54.000 -0.133 0.000 0.871 160 D CB -0.074 40.672 40.800 -0.092 0.000 0.925 160 D HN 0.560 nan 8.370 nan 0.000 0.485 161 A N -0.100 122.502 122.820 -0.364 0.000 2.168 161 A HA 0.027 4.347 4.320 0.001 0.000 0.215 161 A C 0.306 177.519 177.584 -0.618 0.000 1.152 161 A CA 0.353 52.052 52.037 -0.563 0.000 0.716 161 A CB -0.189 18.352 19.000 -0.765 0.000 0.794 161 A HN 0.036 nan 8.150 nan 0.000 0.465 162 F N -1.132 118.895 119.950 0.128 0.000 2.520 162 F HA 0.457 4.984 4.527 0.001 0.000 0.322 162 F C 1.045 176.894 175.800 0.081 0.000 1.103 162 F CA -1.258 56.848 58.000 0.176 0.000 0.926 162 F CB 1.221 40.443 39.000 0.370 0.000 1.154 162 F HN 0.085 nan 8.300 nan 0.000 0.453 163 I N -0.231 120.513 120.570 0.291 0.000 3.030 163 I HA 0.602 4.772 4.170 0.001 0.000 0.270 163 I C 0.605 176.870 176.117 0.247 0.000 1.211 163 I CA 0.330 61.743 61.300 0.188 0.000 1.479 163 I CB 0.046 38.140 38.000 0.158 0.000 1.105 163 I HN 0.456 nan 8.210 nan 0.000 0.447 164 A N 0.927 123.964 122.820 0.362 0.000 2.608 164 A HA 0.651 4.971 4.320 0.001 0.000 0.292 164 A C -0.776 176.975 177.584 0.277 0.000 1.066 164 A CA -0.269 51.973 52.037 0.341 0.000 0.676 164 A CB 1.213 20.365 19.000 0.254 0.000 1.277 164 A HN 0.271 nan 8.150 nan 0.000 0.413 165 V N -0.658 119.303 119.914 0.079 0.000 2.713 165 V HA 1.011 5.132 4.120 0.001 0.000 0.307 165 V C 0.376 176.427 176.094 -0.071 0.000 1.052 165 V CA 0.297 62.440 62.300 -0.262 0.000 0.967 165 V CB 1.232 32.665 31.823 -0.650 0.000 1.019 165 V HN 1.899 nan 8.190 nan 0.000 0.459 166 G N 1.686 110.393 108.800 -0.154 0.000 3.015 166 G HA2 0.712 4.672 3.960 0.001 0.000 0.281 166 G HA3 0.712 4.672 3.960 0.001 0.000 0.281 166 G C -1.686 173.229 174.900 0.025 0.000 1.386 166 G CA -0.971 44.138 45.100 0.014 0.000 0.959 166 G HN 0.882 nan 8.290 nan 0.000 0.522 167 L N 1.634 122.836 121.223 -0.035 0.000 2.482 167 L HA 0.395 4.736 4.340 0.001 0.000 0.269 167 L C -1.372 175.315 176.870 -0.305 0.000 0.967 167 L CA -0.719 54.059 54.840 -0.104 0.000 0.851 167 L CB 1.821 43.849 42.059 -0.051 0.000 1.242 167 L HN 0.897 nan 8.230 nan 0.000 0.404 168 D N 1.994 122.159 120.400 -0.391 0.000 2.801 168 D HA 0.718 5.359 4.640 0.001 0.000 0.277 168 D C -0.040 176.137 176.300 -0.205 0.000 1.125 168 D CA -0.489 53.175 54.000 -0.560 0.000 1.102 168 D CB 1.594 41.997 40.800 -0.662 0.000 1.400 168 D HN 0.399 nan 8.370 nan 0.000 0.601 169 S N -1.930 113.692 115.700 -0.129 0.000 3.872 169 S HA -0.108 4.362 4.470 0.001 0.000 0.637 169 S C -0.709 173.929 174.600 0.063 0.000 1.919 169 S CA 0.136 58.375 58.200 0.066 0.000 2.119 169 S CB -1.705 61.688 63.200 0.321 0.000 0.330 169 S HN 0.804 nan 8.310 nan 0.000 1.761 170 S N 1.634 117.398 115.700 0.107 0.000 2.555 170 S HA 0.084 4.554 4.470 0.001 0.000 0.293 170 S C 1.220 175.986 174.600 0.278 0.000 1.248 170 S CA 0.832 59.130 58.200 0.163 0.000 1.096 170 S CB 0.783 64.107 63.200 0.207 0.000 0.881 170 S HN 0.573 nan 8.310 nan 0.000 0.498 171 E N 3.651 123.975 120.200 0.208 0.000 2.030 171 E HA -0.048 4.302 4.350 0.001 0.000 0.189 171 E C -0.025 176.780 176.600 0.343 0.000 0.974 171 E CA 0.459 57.019 56.400 0.266 0.000 0.807 171 E CB 0.202 30.019 29.700 0.195 0.000 0.771 171 E HN 0.514 nan 8.360 nan 0.000 0.451 172 V N 1.077 121.103 119.914 0.188 0.000 2.599 172 V HA 0.207 4.327 4.120 0.001 0.000 0.300 172 V C 1.210 177.339 176.094 0.059 0.000 1.034 172 V CA 0.996 63.363 62.300 0.110 0.000 1.115 172 V CB 0.426 32.238 31.823 -0.019 0.000 0.934 172 V HN 0.714 nan 8.190 nan 0.000 0.485 173 G N 3.429 112.273 108.800 0.073 0.000 2.241 173 G HA2 -0.201 3.759 3.960 0.001 0.000 0.244 173 G HA3 -0.201 3.759 3.960 0.001 0.000 0.244 173 G C 0.158 174.865 174.900 -0.322 0.000 0.998 173 G CA 0.116 45.121 45.100 -0.158 0.000 0.621 173 G HN 0.833 nan 8.290 nan 0.000 0.519 174 H N 1.537 120.713 119.070 0.176 0.000 2.418 174 H HA 0.328 4.884 4.556 0.001 0.000 0.238 174 H C -2.493 172.830 175.328 -0.009 0.000 1.403 174 H CA -1.062 55.052 56.048 0.109 0.000 1.419 174 H CB 1.390 31.265 29.762 0.190 0.000 1.463 174 H HN 0.359 nan 8.280 nan 0.000 0.515 175 P HA 0.084 nan 4.420 nan 0.000 0.272 175 P C -2.092 175.007 177.300 -0.335 0.000 1.240 175 P CA -1.435 61.205 63.100 -0.768 0.000 0.791 175 P CB 1.359 32.685 31.700 -0.623 0.000 0.978 176 P HA -0.159 nan 4.420 nan 0.000 0.218 176 P C 1.788 179.013 177.300 -0.125 0.000 1.148 176 P CA 1.851 64.845 63.100 -0.177 0.000 0.822 176 P CB -0.444 31.138 31.700 -0.197 0.000 0.784 177 S N -0.167 115.440 115.700 -0.154 0.000 2.442 177 S HA -0.191 4.279 4.470 0.001 0.000 0.236 177 S C 1.927 176.441 174.600 -0.144 0.000 1.007 177 S CA 1.062 59.193 58.200 -0.115 0.000 0.965 177 S CB -0.986 62.154 63.200 -0.100 0.000 0.773 177 S HN 0.175 nan 8.310 nan 0.000 0.504 178 K N 0.438 120.715 120.400 -0.206 0.000 2.280 178 K HA -0.009 4.311 4.320 0.001 0.000 0.202 178 K C -0.036 176.169 176.600 -0.659 0.000 1.047 178 K CA 1.013 57.039 56.287 -0.434 0.000 0.942 178 K CB -0.130 32.048 32.500 -0.535 0.000 0.739 178 K HN 0.538 nan 8.250 nan 0.000 0.457 179 F N 0.039 119.929 119.950 -0.100 0.000 2.814 179 F HA 0.215 4.742 4.527 0.001 0.000 0.326 179 F C 1.563 177.370 175.800 0.011 0.000 1.159 179 F CA -0.617 57.353 58.000 -0.050 0.000 1.234 179 F CB 0.457 39.456 39.000 -0.000 0.000 1.016 179 F HN 0.015 nan 8.300 nan 0.000 0.510 180 Q N 0.671 120.507 119.800 0.060 0.000 2.124 180 Q HA -0.189 4.151 4.340 0.001 0.000 0.202 180 Q C 1.851 177.919 176.000 0.113 0.000 0.977 180 Q CA 1.903 57.747 55.803 0.069 0.000 0.850 180 Q CB 0.246 28.989 28.738 0.008 0.000 0.901 180 Q HN 0.310 nan 8.270 nan 0.000 0.429 181 R N -0.320 120.215 120.500 0.058 0.000 2.073 181 R HA -0.050 4.290 4.340 0.001 0.000 0.229 181 R C 2.254 178.582 176.300 0.046 0.000 1.120 181 R CA 1.102 57.225 56.100 0.039 0.000 0.967 181 R CB -1.005 29.291 30.300 -0.007 0.000 0.862 181 R HN 0.134 nan 8.270 nan 0.000 0.436 182 V N 0.115 120.052 119.914 0.037 0.000 2.407 182 V HA -0.209 3.911 4.120 0.001 0.000 0.248 182 V C 1.533 177.606 176.094 -0.035 0.000 1.055 182 V CA 1.673 63.934 62.300 -0.065 0.000 1.049 182 V CB -0.313 31.360 31.823 -0.249 0.000 0.662 182 V HN 0.189 nan 8.190 nan 0.000 0.455 183 F N 0.488 120.425 119.950 -0.021 0.000 2.163 183 F HA -0.056 4.472 4.527 0.001 0.000 0.297 183 F C 2.228 178.058 175.800 0.049 0.000 1.094 183 F CA 1.822 59.846 58.000 0.040 0.000 1.290 183 F CB -0.565 38.477 39.000 0.070 0.000 1.017 183 F HN 0.232 nan 8.300 nan 0.000 0.483 184 D N -0.187 120.338 120.400 0.209 0.000 2.106 184 D HA -0.208 4.433 4.640 0.001 0.000 0.191 184 D C 2.326 178.681 176.300 0.092 0.000 0.997 184 D CA 1.257 55.336 54.000 0.131 0.000 0.834 184 D CB -0.393 40.463 40.800 0.093 0.000 0.956 184 D HN 0.105 nan 8.370 nan 0.000 0.448 185 R N 0.393 120.925 120.500 0.054 0.000 2.083 185 R HA -0.126 4.214 4.340 0.001 0.000 0.237 185 R C 2.160 178.490 176.300 0.049 0.000 1.137 185 R CA 1.668 57.788 56.100 0.034 0.000 0.951 185 R CB -0.282 30.015 30.300 -0.007 0.000 0.851 185 R HN 0.138 nan 8.270 nan 0.000 0.434 186 A N 0.831 123.639 122.820 -0.020 0.000 1.908 186 A HA -0.186 4.134 4.320 0.001 0.000 0.218 186 A C 2.147 179.862 177.584 0.219 0.000 1.181 186 A CA 1.606 53.617 52.037 -0.043 0.000 0.627 186 A CB -0.489 18.289 19.000 -0.370 0.000 0.818 186 A HN 0.362 nan 8.150 nan 0.000 0.445 187 R N -0.877 119.722 120.500 0.166 0.000 2.120 187 R HA -0.077 4.263 4.340 0.001 0.000 0.234 187 R C 2.563 178.963 176.300 0.166 0.000 1.123 187 R CA 1.293 57.507 56.100 0.190 0.000 0.975 187 R CB -0.394 30.005 30.300 0.165 0.000 0.866 187 R HN 0.527 nan 8.270 nan 0.000 0.446 188 S N 0.632 116.416 115.700 0.140 0.000 2.368 188 S HA -0.110 4.360 4.470 0.001 0.000 0.225 188 S C 1.538 176.218 174.600 0.133 0.000 1.030 188 S CA 1.127 59.395 58.200 0.114 0.000 0.999 188 S CB 0.034 63.287 63.200 0.088 0.000 0.844 188 S HN 0.221 nan 8.310 nan 0.000 0.459 189 E N -0.125 120.192 120.200 0.195 0.000 2.482 189 E HA 0.136 4.486 4.350 0.001 0.000 0.196 189 E C 1.368 178.083 176.600 0.191 0.000 1.047 189 E CA 0.679 57.215 56.400 0.226 0.000 0.869 189 E CB 0.031 29.935 29.700 0.339 0.000 0.836 189 E HN 0.641 nan 8.360 nan 0.000 0.520 190 G N 0.543 109.457 108.800 0.190 0.000 2.192 190 G HA2 -0.212 3.748 3.960 0.001 0.000 0.193 190 G HA3 -0.212 3.748 3.960 0.001 0.000 0.193 190 G C -0.033 174.885 174.900 0.030 0.000 0.999 190 G CA -0.443 44.694 45.100 0.061 0.000 0.659 190 G HN 0.121 nan 8.290 nan 0.000 0.503 191 F N 1.282 121.284 119.950 0.087 0.000 2.399 191 F HA 0.674 5.201 4.527 0.001 0.000 0.342 191 F C 1.328 177.182 175.800 0.091 0.000 1.106 191 F CA -0.717 57.340 58.000 0.095 0.000 1.196 191 F CB 0.704 39.745 39.000 0.067 0.000 1.163 191 F HN -0.032 nan 8.300 nan 0.000 0.547 192 L N 1.359 122.745 121.223 0.272 0.000 2.468 192 L HA 0.467 4.807 4.340 0.001 0.000 0.254 192 L C 0.442 177.461 176.870 0.248 0.000 1.171 192 L CA -0.551 54.422 54.840 0.222 0.000 0.809 192 L CB 0.971 43.135 42.059 0.175 0.000 1.155 192 L HN 0.733 nan 8.230 nan 0.000 0.473 193 T N -1.036 113.665 114.554 0.244 0.000 2.908 193 T HA 0.743 5.093 4.350 0.001 0.000 0.290 193 T C -0.545 174.325 174.700 0.284 0.000 1.034 193 T CA -0.708 61.579 62.100 0.312 0.000 1.010 193 T CB 1.923 71.075 68.868 0.473 0.000 1.068 193 T HN 0.538 nan 8.240 nan 0.000 0.481 194 V N -2.150 117.958 119.914 0.324 0.000 3.188 194 V HA 1.060 5.180 4.120 0.001 0.000 0.305 194 V C -0.849 175.395 176.094 0.249 0.000 1.232 194 V CA -1.075 61.378 62.300 0.254 0.000 1.043 194 V CB 1.142 33.121 31.823 0.259 0.000 1.068 194 V HN 1.745 nan 8.190 nan 0.000 0.439 195 A N 0.210 123.132 122.820 0.170 0.000 2.604 195 A HA 0.813 5.134 4.320 0.001 0.000 0.295 195 A C -1.435 176.265 177.584 0.194 0.000 1.067 195 A CA -0.663 51.461 52.037 0.144 0.000 0.683 195 A CB 1.193 20.208 19.000 0.025 0.000 1.281 195 A HN 1.221 nan 8.150 nan 0.000 0.407 196 H N 0.399 119.494 119.070 0.042 0.000 2.683 196 H HA 0.650 5.206 4.556 0.001 0.000 0.339 196 H C 0.373 175.791 175.328 0.149 0.000 1.081 196 H CA 1.102 57.252 56.048 0.169 0.000 1.432 196 H CB 1.258 31.139 29.762 0.197 0.000 1.462 196 H HN 1.109 nan 8.280 nan 0.000 0.557 197 A N 1.226 124.204 122.820 0.263 0.000 2.532 197 A HA 0.535 4.855 4.320 0.001 0.000 0.296 197 A C 0.648 178.331 177.584 0.165 0.000 1.058 197 A CA -0.250 51.914 52.037 0.212 0.000 0.729 197 A CB 0.600 19.695 19.000 0.159 0.000 1.285 197 A HN 1.110 nan 8.150 nan 0.000 0.396 198 G N 1.168 110.045 108.800 0.128 0.000 2.137 198 G HA2 -0.243 3.717 3.960 0.001 0.000 0.237 198 G HA3 -0.243 3.717 3.960 0.001 0.000 0.237 198 G C 0.603 175.495 174.900 -0.014 0.000 1.002 198 G CA 1.102 46.231 45.100 0.048 0.000 0.702 198 G HN 1.094 nan 8.290 nan 0.000 0.515 199 E N -0.519 119.642 120.200 -0.066 0.000 2.004 199 E HA 0.006 4.357 4.350 0.001 0.000 0.194 199 E C 1.922 178.377 176.600 -0.241 0.000 0.981 199 E CA 1.255 57.490 56.400 -0.276 0.000 0.842 199 E CB 0.063 29.437 29.700 -0.543 0.000 0.796 199 E HN 0.318 nan 8.360 nan 0.000 0.477 200 E N -0.334 119.750 120.200 -0.194 0.000 2.431 200 E HA 0.172 4.523 4.350 0.001 0.000 0.200 200 E C 0.024 176.530 176.600 -0.156 0.000 0.995 200 E CA 0.259 56.555 56.400 -0.174 0.000 0.915 200 E CB 0.626 30.241 29.700 -0.142 0.000 0.930 200 E HN 0.302 nan 8.360 nan 0.000 0.496 201 G N 1.608 110.333 108.800 -0.125 0.000 2.594 201 G HA2 0.266 4.227 3.960 0.001 0.000 0.243 201 G HA3 0.266 4.227 3.960 0.001 0.000 0.243 201 G C -2.471 172.268 174.900 -0.270 0.000 1.229 201 G CA -0.983 43.966 45.100 -0.251 0.000 0.843 201 G HN 0.017 nan 8.290 nan 0.000 0.578 202 P HA 0.216 nan 4.420 nan 0.000 0.276 202 P C -1.982 175.294 177.300 -0.040 0.000 1.252 202 P CA -1.561 61.407 63.100 -0.220 0.000 0.802 202 P CB 0.705 32.249 31.700 -0.260 0.000 1.035 203 P HA -0.173 nan 4.420 nan 0.000 0.219 203 P C 1.091 178.596 177.300 0.342 0.000 1.146 203 P CA 1.478 64.677 63.100 0.165 0.000 0.808 203 P CB -0.088 31.732 31.700 0.200 0.000 0.779 204 E N -1.834 118.556 120.200 0.317 0.000 2.160 204 E HA -0.205 4.145 4.350 0.001 0.000 0.195 204 E C 1.713 178.590 176.600 0.461 0.000 0.991 204 E CA 1.127 57.761 56.400 0.390 0.000 0.810 204 E CB -0.874 28.967 29.700 0.235 0.000 0.742 204 E HN 0.334 nan 8.360 nan 0.000 0.466 205 Y N 0.049 120.434 120.300 0.142 0.000 2.242 205 Y HA -0.078 4.473 4.550 0.001 0.000 0.291 205 Y C 1.972 177.927 175.900 0.092 0.000 1.137 205 Y CA 0.395 58.555 58.100 0.101 0.000 1.181 205 Y CB -0.456 38.047 38.460 0.072 0.000 0.989 205 Y HN 0.079 nan 8.280 nan 0.000 0.527 206 I N -2.170 118.542 120.570 0.238 0.000 2.252 206 I HA -0.324 3.847 4.170 0.001 0.000 0.245 206 I C 2.055 178.180 176.117 0.014 0.000 1.102 206 I CA 1.284 62.623 61.300 0.064 0.000 1.385 206 I CB -0.609 37.359 38.000 -0.053 0.000 1.064 206 I HN 0.189 nan 8.210 nan 0.000 0.414 207 W N 1.572 122.920 121.300 0.081 0.000 2.335 207 W HA -0.196 4.465 4.660 0.001 0.000 0.311 207 W C 2.611 179.153 176.519 0.038 0.000 1.213 207 W CA 1.248 58.626 57.345 0.056 0.000 1.274 207 W CB -0.437 29.054 29.460 0.052 0.000 1.148 207 W HN 0.090 nan 8.180 nan 0.000 0.498 208 E N -0.083 120.274 120.200 0.261 0.000 2.058 208 E HA -0.238 4.112 4.350 0.001 0.000 0.194 208 E C 2.336 178.963 176.600 0.045 0.000 0.997 208 E CA 1.342 57.812 56.400 0.116 0.000 0.801 208 E CB -0.568 29.153 29.700 0.035 0.000 0.746 208 E HN 0.249 nan 8.360 nan 0.000 0.450 209 A N 1.214 124.050 122.820 0.028 0.000 1.917 209 A HA -0.208 4.113 4.320 0.001 0.000 0.219 209 A C 2.202 179.791 177.584 0.008 0.000 1.182 209 A CA 1.310 53.335 52.037 -0.019 0.000 0.633 209 A CB -0.711 18.292 19.000 0.006 0.000 0.819 209 A HN 0.146 nan 8.150 nan 0.000 0.448 210 L N -1.012 120.229 121.223 0.030 0.000 2.056 210 L HA -0.139 4.202 4.340 0.001 0.000 0.207 210 L C 1.841 178.755 176.870 0.073 0.000 1.078 210 L CA 1.575 56.436 54.840 0.035 0.000 0.749 210 L CB -0.381 41.670 42.059 -0.013 0.000 0.901 210 L HN 0.363 nan 8.230 nan 0.000 0.433 211 D N -1.071 119.393 120.400 0.106 0.000 2.379 211 D HA 0.055 4.696 4.640 0.001 0.000 0.218 211 D C 2.335 178.682 176.300 0.078 0.000 1.006 211 D CA 0.608 54.675 54.000 0.112 0.000 0.893 211 D CB 0.458 41.355 40.800 0.162 0.000 1.019 211 D HN 0.237 nan 8.370 nan 0.000 0.503 212 L N 0.274 121.531 121.223 0.056 0.000 2.145 212 L HA 0.107 4.447 4.340 0.001 0.000 0.201 212 L C 2.277 179.159 176.870 0.021 0.000 1.075 212 L CA 0.548 55.405 54.840 0.029 0.000 0.773 212 L CB -0.080 41.978 42.059 -0.001 0.000 0.936 212 L HN -0.076 nan 8.230 nan 0.000 0.451 213 L N -0.393 120.816 121.223 -0.023 0.000 2.509 213 L HA 0.029 4.370 4.340 0.001 0.000 0.222 213 L C 0.336 177.258 176.870 0.087 0.000 1.123 213 L CA 0.125 54.934 54.840 -0.052 0.000 0.856 213 L CB -0.192 41.677 42.059 -0.317 0.000 0.985 213 L HN 0.255 nan 8.230 nan 0.000 0.456 214 K N 1.036 121.482 120.400 0.078 0.000 3.451 214 K HA -0.152 4.169 4.320 0.001 0.000 0.273 214 K C -0.095 176.578 176.600 0.122 0.000 0.944 214 K CA 0.259 56.606 56.287 0.100 0.000 0.734 214 K CB -1.934 30.632 32.500 0.110 0.000 1.437 214 K HN 0.309 nan 8.250 nan 0.000 0.454 215 V N -1.933 118.044 119.914 0.104 0.000 2.953 215 V HA 0.159 4.280 4.120 0.001 0.000 0.304 215 V C 1.541 177.698 176.094 0.105 0.000 1.073 215 V CA -0.426 61.950 62.300 0.127 0.000 1.064 215 V CB 1.496 33.385 31.823 0.111 0.000 1.047 215 V HN 0.219 nan 8.190 nan 0.000 0.478 216 E N 2.089 122.360 120.200 0.118 0.000 2.230 216 E HA 0.055 4.406 4.350 0.001 0.000 0.192 216 E C 0.691 177.338 176.600 0.077 0.000 0.987 216 E CA 0.817 57.273 56.400 0.093 0.000 0.841 216 E CB 0.110 29.870 29.700 0.101 0.000 0.783 216 E HN 0.897 nan 8.360 nan 0.000 0.481 217 R N -0.594 119.959 120.500 0.088 0.000 2.752 217 R HA 0.505 4.845 4.340 0.001 0.000 0.271 217 R C -0.933 175.414 176.300 0.078 0.000 1.026 217 R CA -0.763 55.381 56.100 0.073 0.000 0.901 217 R CB 0.957 31.301 30.300 0.072 0.000 1.243 217 R HN -0.234 nan 8.270 nan 0.000 0.463 218 I N 1.604 122.212 120.570 0.063 0.000 2.377 218 I HA 0.295 4.466 4.170 0.001 0.000 0.293 218 I C -0.715 175.448 176.117 0.076 0.000 0.987 218 I CA -0.615 60.725 61.300 0.067 0.000 1.185 218 I CB 1.746 39.773 38.000 0.045 0.000 1.341 218 I HN 0.644 nan 8.210 nan 0.000 0.455 219 D N 6.993 127.435 120.400 0.071 0.000 2.317 219 D HA 0.322 4.962 4.640 0.001 0.000 0.234 219 D C 0.663 177.012 176.300 0.083 0.000 1.112 219 D CA 0.060 54.067 54.000 0.011 0.000 0.840 219 D CB 1.118 41.742 40.800 -0.294 0.000 1.078 219 D HN 0.534 nan 8.370 nan 0.000 0.486 220 H N 2.221 121.342 119.070 0.086 0.000 2.100 220 H HA -0.256 4.301 4.556 0.001 0.000 0.090 220 H C 1.293 176.649 175.328 0.047 0.000 0.626 220 H CA 1.173 57.243 56.048 0.037 0.000 1.813 220 H CB -1.298 28.477 29.762 0.022 0.000 2.127 220 H HN 0.677 nan 8.280 nan 0.000 0.946 221 G N 0.167 109.089 108.800 0.204 0.000 2.155 221 G HA2 -0.298 3.662 3.960 0.001 0.000 0.257 221 G HA3 -0.298 3.662 3.960 0.001 0.000 0.257 221 G C 1.172 176.135 174.900 0.106 0.000 0.983 221 G CA 2.185 47.355 45.100 0.115 0.000 0.676 221 G HN 1.332 nan 8.290 nan 0.000 0.528 222 V N -2.209 117.772 119.914 0.111 0.000 2.867 222 V HA 0.055 4.175 4.120 0.001 0.000 0.260 222 V C 2.118 178.265 176.094 0.089 0.000 1.099 222 V CA 2.296 64.657 62.300 0.102 0.000 1.122 222 V CB -0.504 31.376 31.823 0.095 0.000 0.708 222 V HN 0.504 nan 8.190 nan 0.000 0.490 223 R N 0.360 120.891 120.500 0.052 0.000 2.334 223 R HA 0.451 4.791 4.340 0.001 0.000 0.220 223 R C 1.994 178.353 176.300 0.098 0.000 0.917 223 R CA 0.600 56.731 56.100 0.052 0.000 1.073 223 R CB -0.002 30.287 30.300 -0.019 0.000 1.056 223 R HN 0.588 nan 8.270 nan 0.000 0.506 224 A N 0.145 123.030 122.820 0.109 0.000 2.239 224 A HA -0.090 4.230 4.320 0.001 0.000 0.209 224 A C 1.460 179.122 177.584 0.130 0.000 1.171 224 A CA 0.544 52.628 52.037 0.078 0.000 0.768 224 A CB -0.474 18.541 19.000 0.024 0.000 0.790 224 A HN 0.332 nan 8.150 nan 0.000 0.478 225 F N 0.405 120.368 119.950 0.023 0.000 2.615 225 F HA 0.018 4.545 4.527 0.001 0.000 0.297 225 F C 1.931 177.752 175.800 0.035 0.000 1.124 225 F CA 1.158 59.177 58.000 0.032 0.000 1.451 225 F CB 0.245 39.272 39.000 0.045 0.000 1.103 225 F HN 0.373 nan 8.300 nan 0.000 0.569 226 E N -1.052 119.228 120.200 0.133 0.000 2.371 226 E HA -0.117 4.233 4.350 0.001 0.000 0.194 226 E C 0.097 176.715 176.600 0.031 0.000 1.012 226 E CA 0.354 56.797 56.400 0.072 0.000 0.860 226 E CB 0.013 29.761 29.700 0.080 0.000 0.811 226 E HN 0.115 nan 8.360 nan 0.000 0.502 227 D N 0.900 121.327 120.400 0.045 0.000 2.473 227 D HA 0.022 4.663 4.640 0.001 0.000 0.226 227 D C 0.663 176.995 176.300 0.054 0.000 1.089 227 D CA -0.150 53.907 54.000 0.095 0.000 0.883 227 D CB 0.698 41.628 40.800 0.217 0.000 1.029 227 D HN -0.170 nan 8.370 nan 0.000 0.517 228 E N 2.744 122.955 120.200 0.018 0.000 2.049 228 E HA -0.234 4.116 4.350 0.001 0.000 0.198 228 E C 1.722 178.350 176.600 0.046 0.000 1.007 228 E CA 0.901 57.294 56.400 -0.011 0.000 0.809 228 E CB -0.051 29.639 29.700 -0.016 0.000 0.749 228 E HN 0.558 nan 8.360 nan 0.000 0.450 229 R N 0.461 121.033 120.500 0.121 0.000 2.080 229 R HA -0.141 4.200 4.340 0.001 0.000 0.236 229 R C 1.474 177.924 176.300 0.251 0.000 1.137 229 R CA 0.618 56.836 56.100 0.198 0.000 0.943 229 R CB -0.500 29.948 30.300 0.247 0.000 0.846 229 R HN 0.092 nan 8.270 nan 0.000 0.431 233 R N 1.272 121.770 120.500 -0.004 0.000 2.070 233 R HA -0.056 4.285 4.340 0.001 0.000 0.232 233 R C 1.707 177.978 176.300 -0.048 0.000 1.138 233 R CA 1.707 57.794 56.100 -0.021 0.000 0.936 233 R CB -0.304 29.960 30.300 -0.059 0.000 0.839 233 R HN -0.026 nan 8.270 nan 0.000 0.429 234 L N 1.171 122.342 121.223 -0.087 0.000 2.064 234 L HA -0.245 4.096 4.340 0.001 0.000 0.216 234 L C 2.243 179.100 176.870 -0.022 0.000 1.077 234 L CA 1.743 56.546 54.840 -0.063 0.000 0.766 234 L CB -0.675 41.344 42.059 -0.065 0.000 0.890 234 L HN 0.344 nan 8.230 nan 0.000 0.435 235 I N -1.262 119.300 120.570 -0.013 0.000 2.235 235 I HA -0.216 3.955 4.170 0.001 0.000 0.241 235 I C 2.029 178.150 176.117 0.006 0.000 1.085 235 I CA 0.926 62.228 61.300 0.002 0.000 1.378 235 I CB -0.452 37.551 38.000 0.005 0.000 1.076 235 I HN 0.164 nan 8.210 nan 0.000 0.415 236 D N 1.075 121.478 120.400 0.006 0.000 2.149 236 D HA -0.183 4.457 4.640 0.001 0.000 0.198 236 D C 1.920 178.227 176.300 0.013 0.000 0.990 236 D CA 1.336 55.343 54.000 0.012 0.000 0.839 236 D CB -0.168 40.642 40.800 0.018 0.000 0.948 236 D HN 0.434 nan 8.370 nan 0.000 0.460 237 E N -0.116 120.089 120.200 0.008 0.000 2.474 237 E HA 0.006 4.357 4.350 0.001 0.000 0.194 237 E C 0.064 176.670 176.600 0.010 0.000 1.041 237 E CA -0.054 56.352 56.400 0.010 0.000 0.874 237 E CB 0.330 30.035 29.700 0.007 0.000 0.914 237 E HN 0.043 nan 8.360 nan 0.000 0.498 238 Q N -0.135 119.670 119.800 0.008 0.000 2.468 238 Q HA -0.212 4.128 4.340 0.001 0.000 0.289 238 Q C -0.585 175.422 176.000 0.011 0.000 1.299 238 Q CA 0.792 56.602 55.803 0.011 0.000 0.838 238 Q CB -2.056 26.689 28.738 0.013 0.000 1.195 238 Q HN 0.417 nan 8.270 nan 0.000 0.456 239 I N 1.862 122.436 120.570 0.005 0.000 2.517 239 I HA 0.065 4.236 4.170 0.001 0.000 0.285 239 I C -1.725 174.401 176.117 0.014 0.000 1.106 239 I CA -1.528 59.777 61.300 0.008 0.000 1.402 239 I CB 0.517 38.512 38.000 -0.007 0.000 1.399 239 I HN -0.104 nan 8.210 nan 0.000 0.535 240 P HA 0.193 nan 4.420 nan 0.000 0.276 240 P C -1.003 176.317 177.300 0.034 0.000 1.230 240 P CA -0.283 62.834 63.100 0.028 0.000 0.776 240 P CB 0.605 32.324 31.700 0.032 0.000 0.888 241 L N 3.265 124.509 121.223 0.034 0.000 2.296 241 L HA 0.376 4.717 4.340 0.001 0.000 0.286 241 L C 0.623 177.515 176.870 0.036 0.000 1.023 241 L CA 0.042 54.907 54.840 0.042 0.000 0.812 241 L CB 1.110 43.197 42.059 0.048 0.000 1.223 241 L HN 0.338 nan 8.230 nan 0.000 0.421 242 T N 1.150 115.735 114.554 0.051 0.000 2.875 242 T HA 0.536 4.886 4.350 0.001 0.000 0.307 242 T C 0.021 174.690 174.700 -0.052 0.000 1.013 242 T CA -0.636 61.492 62.100 0.046 0.000 0.970 242 T CB -0.113 68.848 68.868 0.156 0.000 0.986 242 T HN 0.163 nan 8.240 nan 0.000 0.536 243 V N 2.909 122.778 119.914 -0.074 0.000 2.686 243 V HA 0.372 4.492 4.120 0.001 0.000 0.295 243 V C 0.381 176.366 176.094 -0.182 0.000 1.057 243 V CA -0.860 61.389 62.300 -0.086 0.000 1.012 243 V CB 1.190 33.013 31.823 -0.000 0.000 1.006 243 V HN 1.028 nan 8.190 nan 0.000 0.477 244 C N 5.576 124.781 119.300 -0.158 0.000 2.814 244 C HA 0.339 4.799 4.460 0.001 0.000 0.269 244 C C -1.306 173.651 174.990 -0.056 0.000 1.090 244 C CA -0.830 58.078 59.018 -0.183 0.000 1.492 244 C CB 0.503 28.036 27.740 -0.344 0.000 1.825 244 C HN 0.690 nan 8.230 nan 0.000 0.442 245 P HA -0.139 nan 4.420 nan 0.000 0.213 245 P C 1.697 178.972 177.300 -0.041 0.000 1.170 245 P CA 1.473 64.474 63.100 -0.166 0.000 0.902 245 P CB 0.169 31.676 31.700 -0.322 0.000 0.789 246 L N -1.075 120.116 121.223 -0.052 0.000 2.131 246 L HA -0.165 4.176 4.340 0.001 0.000 0.210 246 L C 2.648 179.380 176.870 -0.230 0.000 1.092 246 L CA 1.634 56.453 54.840 -0.035 0.000 0.759 246 L CB -1.052 41.052 42.059 0.075 0.000 0.903 246 L HN 0.108 nan 8.230 nan 0.000 0.435 247 S N 0.474 115.925 115.700 -0.415 0.000 2.343 247 S HA -0.184 4.286 4.470 0.001 0.000 0.219 247 S C 1.836 176.112 174.600 -0.541 0.000 1.033 247 S CA 1.634 59.238 58.200 -0.993 0.000 1.014 247 S CB -0.200 62.603 63.200 -0.661 0.000 0.915 247 S HN 0.437 nan 8.310 nan 0.000 0.435 248 N N 0.755 119.350 118.700 -0.174 0.000 2.132 248 N HA -0.087 4.653 4.740 0.001 0.000 0.191 248 N C 1.762 177.263 175.510 -0.015 0.000 1.015 248 N CA 1.789 54.821 53.050 -0.031 0.000 0.864 248 N CB -1.151 37.504 38.487 0.281 0.000 1.006 248 N HN 0.453 nan 8.380 nan 0.000 0.430 249 T N 1.017 115.575 114.554 0.007 0.000 2.809 249 T HA 0.024 4.374 4.350 0.001 0.000 0.260 249 T C 1.753 176.435 174.700 -0.030 0.000 1.039 249 T CA 0.693 62.811 62.100 0.030 0.000 1.141 249 T CB 0.153 69.051 68.868 0.049 0.000 0.869 249 T HN 0.064 nan 8.240 nan 0.000 0.437 250 K N 1.280 121.614 120.400 -0.110 0.000 2.209 250 K HA 0.126 4.446 4.320 0.001 0.000 0.204 250 K C 1.779 178.395 176.600 0.027 0.000 1.048 250 K CA 0.800 57.078 56.287 -0.014 0.000 0.940 250 K CB -0.329 32.185 32.500 0.023 0.000 0.729 250 K HN 0.381 nan 8.250 nan 0.000 0.451 251 L N -0.459 120.674 121.223 -0.151 0.000 2.607 251 L HA 0.056 4.396 4.340 0.001 0.000 0.228 251 L C 0.245 177.067 176.870 -0.080 0.000 1.123 251 L CA -0.236 54.535 54.840 -0.115 0.000 0.890 251 L CB -0.160 41.732 42.059 -0.278 0.000 1.103 251 L HN 0.083 nan 8.230 nan 0.000 0.468 252 C N -1.125 118.137 119.300 -0.064 0.000 4.456 252 C HA -0.157 4.303 4.460 0.001 0.000 0.288 252 C C 2.151 177.062 174.990 -0.132 0.000 1.374 252 C CA 0.161 59.146 59.018 -0.054 0.000 1.956 252 C CB -2.940 24.788 27.740 -0.020 0.000 1.255 252 C HN 0.398 nan 8.230 nan 0.000 0.788 253 V N -1.644 118.142 119.914 -0.214 0.000 2.427 253 V HA -0.050 4.071 4.120 0.001 0.000 0.248 253 V C 0.869 176.597 176.094 -0.611 0.000 1.051 253 V CA 1.963 64.012 62.300 -0.419 0.000 1.048 253 V CB -0.187 31.334 31.823 -0.503 0.000 0.666 253 V HN 0.566 nan 8.190 nan 0.000 0.456 254 F N -0.453 119.418 119.950 -0.131 0.000 2.520 254 F HA 0.435 4.963 4.527 0.001 0.000 0.322 254 F C 0.922 176.680 175.800 -0.071 0.000 1.103 254 F CA -1.242 56.688 58.000 -0.118 0.000 0.926 254 F CB 1.204 40.115 39.000 -0.149 0.000 1.154 254 F HN -0.146 nan 8.300 nan 0.000 0.453 255 D N 0.565 121.047 120.400 0.136 0.000 2.309 255 D HA -0.072 4.568 4.640 0.001 0.000 0.212 255 D C 0.202 176.541 176.300 0.066 0.000 0.968 255 D CA 1.509 55.550 54.000 0.069 0.000 0.882 255 D CB 0.147 40.976 40.800 0.047 0.000 0.918 255 D HN 0.654 nan 8.370 nan 0.000 0.503 259 Q N 1.237 120.947 119.800 -0.149 0.000 2.408 259 Q HA 0.266 4.607 4.340 0.001 0.000 0.205 259 Q C 0.076 175.717 176.000 -0.599 0.000 0.919 259 Q CA 0.194 55.872 55.803 -0.209 0.000 0.932 259 Q CB -0.231 28.486 28.738 -0.035 0.000 1.058 259 Q HN 0.706 nan 8.270 nan 0.000 0.517 260 H N 1.474 120.045 119.070 -0.831 0.000 2.897 260 H HA -0.000 4.556 4.556 0.001 0.000 0.347 260 H C 0.569 175.418 175.328 -0.799 0.000 1.068 260 H CA 1.180 56.461 56.048 -1.278 0.000 1.426 260 H CB 0.872 30.187 29.762 -0.745 0.000 1.410 260 H HN 0.053 nan 8.280 nan 0.000 0.597 261 T N 2.050 116.221 114.554 -0.638 0.000 3.214 261 T HA 0.100 4.450 4.350 0.001 0.000 0.264 261 T C 1.963 176.541 174.700 -0.204 0.000 1.012 261 T CA -0.282 61.547 62.100 -0.453 0.000 0.901 261 T CB -0.324 68.069 68.868 -0.792 0.000 1.070 261 T HN 0.604 nan 8.240 nan 0.000 0.561 262 I N 0.631 121.230 120.570 0.050 0.000 2.252 262 I HA -0.042 4.129 4.170 0.001 0.000 0.245 262 I C 1.878 177.954 176.117 -0.068 0.000 1.102 262 I CA 1.275 62.565 61.300 -0.016 0.000 1.385 262 I CB 0.053 37.944 38.000 -0.182 0.000 1.064 262 I HN 0.298 nan 8.210 nan 0.000 0.414 263 L N 0.123 121.290 121.223 -0.093 0.000 2.131 263 L HA -0.072 4.268 4.340 0.001 0.000 0.206 263 L C 0.988 177.845 176.870 -0.021 0.000 1.087 263 L CA 0.290 55.094 54.840 -0.060 0.000 0.767 263 L CB -0.908 41.110 42.059 -0.069 0.000 0.917 263 L HN 0.226 nan 8.230 nan 0.000 0.441 267 E N 0.844 121.070 120.200 0.044 0.000 2.265 267 E HA -0.081 4.269 4.350 0.001 0.000 0.196 267 E C 1.604 178.234 176.600 0.049 0.000 0.996 267 E CA 1.002 57.428 56.400 0.043 0.000 0.832 267 E CB -0.079 29.645 29.700 0.040 0.000 0.756 267 E HN 0.487 nan 8.360 nan 0.000 0.491 268 R N -0.872 119.668 120.500 0.067 0.000 2.317 268 R HA 0.098 4.438 4.340 0.001 0.000 0.208 268 R C 1.012 177.336 176.300 0.040 0.000 0.914 268 R CA 0.571 56.703 56.100 0.054 0.000 1.060 268 R CB 0.516 30.856 30.300 0.066 0.000 1.015 268 R HN 0.205 nan 8.270 nan 0.000 0.498 269 G N 0.590 109.415 108.800 0.041 0.000 2.144 269 G HA2 -0.218 3.742 3.960 0.001 0.000 0.218 269 G HA3 -0.218 3.742 3.960 0.001 0.000 0.218 269 G C 0.066 174.986 174.900 0.032 0.000 0.988 269 G CA -0.243 44.876 45.100 0.032 0.000 0.659 269 G HN 0.098 nan 8.290 nan 0.000 0.522 270 V N 0.786 120.726 119.914 0.044 0.000 2.637 270 V HA 0.248 4.368 4.120 0.001 0.000 0.296 270 V C 1.441 177.555 176.094 0.033 0.000 1.046 270 V CA 0.538 62.864 62.300 0.042 0.000 1.066 270 V CB 1.557 33.420 31.823 0.066 0.000 0.968 270 V HN 0.345 nan 8.190 nan 0.000 0.483 271 K N 4.285 124.700 120.400 0.026 0.000 2.989 271 K HA 0.144 4.465 4.320 0.001 0.000 0.264 271 K C -0.005 176.608 176.600 0.021 0.000 1.228 271 K CA -0.307 55.993 56.287 0.022 0.000 1.186 271 K CB -0.386 32.125 32.500 0.019 0.000 1.409 271 K HN 0.706 nan 8.250 nan 0.000 0.271 272 V N -0.526 119.399 119.914 0.019 0.000 2.811 272 V HA 0.333 4.454 4.120 0.001 0.000 0.302 272 V C 0.180 176.267 176.094 -0.012 0.000 1.063 272 V CA -0.338 61.966 62.300 0.007 0.000 1.088 272 V CB 1.126 32.951 31.823 0.003 0.000 0.982 272 V HN 0.463 nan 8.190 nan 0.000 0.485 273 T N 1.028 115.567 114.554 -0.025 0.000 2.887 273 T HA 0.758 5.108 4.350 0.001 0.000 0.292 273 T C -0.674 173.964 174.700 -0.105 0.000 1.087 273 T CA -0.792 61.287 62.100 -0.035 0.000 1.009 273 T CB 1.708 70.584 68.868 0.012 0.000 1.203 273 T HN 0.819 nan 8.240 nan 0.000 0.518 274 V N 2.399 122.229 119.914 -0.140 0.000 2.417 274 V HA 0.630 4.750 4.120 0.001 0.000 0.291 274 V C -0.744 175.320 176.094 -0.050 0.000 1.024 274 V CA -0.737 61.416 62.300 -0.246 0.000 0.861 274 V CB 0.913 32.282 31.823 -0.756 0.000 0.985 274 V HN 1.010 nan 8.190 nan 0.000 0.436 275 N N 1.336 119.998 118.700 -0.064 0.000 2.525 275 N HA 0.426 5.166 4.740 0.001 0.000 0.270 275 N C 0.478 175.991 175.510 0.005 0.000 1.321 275 N CA -0.404 52.654 53.050 0.012 0.000 0.797 275 N CB 1.808 40.301 38.487 0.009 0.000 1.529 275 N HN 0.549 nan 8.380 nan 0.000 0.491 276 S N -0.911 114.835 115.700 0.076 0.000 2.524 276 S HA 0.069 4.540 4.470 0.001 0.000 0.216 276 S C 0.738 175.414 174.600 0.127 0.000 0.987 276 S CA 0.695 58.948 58.200 0.089 0.000 0.909 276 S CB -0.138 63.112 63.200 0.084 0.000 0.781 276 S HN 0.649 nan 8.310 nan 0.000 0.521 277 D N 2.156 122.628 120.400 0.121 0.000 4.565 277 D HA -0.222 4.418 4.640 0.001 0.000 0.225 277 D C -0.846 175.656 176.300 0.337 0.000 0.678 277 D CA 2.401 56.573 54.000 0.286 0.000 1.701 277 D CB -1.508 39.417 40.800 0.209 0.000 1.028 277 D HN 0.547 nan 8.370 nan 0.000 0.400 278 D N 0.496 121.007 120.400 0.186 0.000 2.513 278 D HA 0.207 4.847 4.640 0.001 0.000 0.295 278 D C -1.814 174.297 176.300 -0.316 0.000 1.202 278 D CA -0.908 52.995 54.000 -0.162 0.000 0.849 278 D CB 1.679 42.111 40.800 -0.614 0.000 1.116 278 D HN 0.265 nan 8.370 nan 0.000 0.502 279 P HA -0.142 nan 4.420 nan 0.000 0.218 279 P C 1.332 178.407 177.300 -0.375 0.000 1.149 279 P CA 0.719 63.547 63.100 -0.452 0.000 0.817 279 P CB 0.471 31.454 31.700 -1.195 0.000 0.785 280 A N -1.613 121.076 122.820 -0.219 0.000 2.066 280 A HA -0.124 4.196 4.320 0.001 0.000 0.218 280 A C 1.808 179.307 177.584 -0.142 0.000 1.157 280 A CA 0.990 52.981 52.037 -0.077 0.000 0.670 280 A CB -1.359 17.622 19.000 -0.031 0.000 0.804 280 A HN 0.148 nan 8.150 nan 0.000 0.453 281 Y N -2.775 117.366 120.300 -0.266 0.000 2.503 281 Y HA 0.184 4.734 4.550 0.001 0.000 0.277 281 Y C 0.987 176.792 175.900 -0.157 0.000 1.102 281 Y CA 0.433 58.268 58.100 -0.442 0.000 1.261 281 Y CB 0.307 38.400 38.460 -0.612 0.000 1.096 281 Y HN 0.305 nan 8.280 nan 0.000 0.546 282 F N -0.933 119.125 119.950 0.180 0.000 2.661 282 F HA 0.463 4.990 4.527 0.001 0.000 0.306 282 F C 1.463 177.328 175.800 0.108 0.000 1.094 282 F CA -0.376 57.702 58.000 0.130 0.000 1.254 282 F CB 0.182 39.200 39.000 0.030 0.000 1.040 282 F HN -0.009 nan 8.300 nan 0.000 0.562 283 G N 0.323 109.267 108.800 0.241 0.000 2.149 283 G HA2 0.175 4.135 3.960 0.001 0.000 0.235 283 G HA3 0.175 4.135 3.960 0.001 0.000 0.235 283 G C 0.342 175.350 174.900 0.180 0.000 1.018 283 G CA -0.052 45.164 45.100 0.194 0.000 0.728 283 G HN 1.008 nan 8.290 nan 0.000 0.508 284 G N -1.955 106.937 108.800 0.153 0.000 2.384 284 G HA2 0.584 4.544 3.960 0.001 0.000 0.300 284 G HA3 0.584 4.544 3.960 0.001 0.000 0.300 284 G C -0.685 174.278 174.900 0.104 0.000 1.582 284 G CA -0.385 44.838 45.100 0.204 0.000 0.875 284 G HN 0.519 nan 8.290 nan 0.000 0.628 285 Y N 0.024 120.428 120.300 0.173 0.000 2.486 285 Y HA 0.509 5.060 4.550 0.001 0.000 0.356 285 Y C 2.015 178.018 175.900 0.172 0.000 1.330 285 Y CA 0.329 58.534 58.100 0.176 0.000 1.557 285 Y CB 0.575 39.129 38.460 0.157 0.000 1.647 285 Y HN 0.429 nan 8.280 nan 0.000 0.585 286 V N 0.018 120.140 119.914 0.347 0.000 2.332 286 V HA -0.291 3.829 4.120 0.001 0.000 0.248 286 V C 1.717 177.996 176.094 0.310 0.000 1.055 286 V CA 2.982 65.453 62.300 0.284 0.000 1.038 286 V CB -0.762 31.215 31.823 0.257 0.000 0.651 286 V HN 1.003 nan 8.190 nan 0.000 0.450 287 T N -0.334 114.322 114.554 0.171 0.000 2.788 287 T HA -0.162 4.188 4.350 0.001 0.000 0.268 287 T C 1.685 176.483 174.700 0.164 0.000 1.044 287 T CA 1.712 63.827 62.100 0.025 0.000 1.139 287 T CB -0.233 68.485 68.868 -0.250 0.000 0.867 287 T HN 0.554 nan 8.240 nan 0.000 0.454 288 E N 1.254 121.607 120.200 0.256 0.000 2.106 288 E HA -0.031 4.319 4.350 0.001 0.000 0.192 288 E C 2.286 179.054 176.600 0.280 0.000 0.984 288 E CA 0.743 57.336 56.400 0.321 0.000 0.806 288 E CB -0.224 29.657 29.700 0.301 0.000 0.750 288 E HN 0.457 nan 8.360 nan 0.000 0.458 289 N N -0.409 118.427 118.700 0.227 0.000 2.120 289 N HA -0.131 4.610 4.740 0.001 0.000 0.188 289 N C 1.661 177.217 175.510 0.076 0.000 1.024 289 N CA 0.924 54.039 53.050 0.109 0.000 0.852 289 N CB -0.252 38.256 38.487 0.035 0.000 1.003 289 N HN 0.156 nan 8.380 nan 0.000 0.424 290 F N 1.063 121.043 119.950 0.049 0.000 2.126 290 F HA -0.175 4.353 4.527 0.001 0.000 0.299 290 F C 2.669 178.529 175.800 0.100 0.000 1.096 290 F CA 1.234 59.263 58.000 0.048 0.000 1.255 290 F CB -0.404 38.622 39.000 0.043 0.000 0.997 290 F HN 0.255 nan 8.300 nan 0.000 0.479 291 H N -0.376 118.838 119.070 0.241 0.000 2.357 291 H HA -0.108 4.448 4.556 0.001 0.000 0.301 291 H C 2.300 177.704 175.328 0.127 0.000 1.082 291 H CA 1.041 57.209 56.048 0.200 0.000 1.342 291 H CB -0.008 29.919 29.762 0.275 0.000 1.389 291 H HN 0.264 nan 8.280 nan 0.000 0.511 292 A N 1.453 124.352 122.820 0.131 0.000 1.917 292 A HA -0.172 4.149 4.320 0.001 0.000 0.219 292 A C 2.704 180.252 177.584 -0.060 0.000 1.182 292 A CA 1.442 53.489 52.037 0.016 0.000 0.633 292 A CB -0.906 18.112 19.000 0.030 0.000 0.819 292 A HN 0.408 nan 8.150 nan 0.000 0.448 293 L N -0.891 120.290 121.223 -0.070 0.000 2.017 293 L HA -0.243 4.098 4.340 0.001 0.000 0.208 293 L C 2.967 179.790 176.870 -0.079 0.000 1.073 293 L CA 1.816 56.588 54.840 -0.114 0.000 0.745 293 L CB -0.713 41.249 42.059 -0.161 0.000 0.894 293 L HN 0.578 nan 8.230 nan 0.000 0.432 294 Q N 0.481 120.255 119.800 -0.043 0.000 2.061 294 Q HA -0.258 4.083 4.340 0.001 0.000 0.204 294 Q C 2.045 177.978 176.000 -0.111 0.000 0.984 294 Q CA 1.923 57.693 55.803 -0.055 0.000 0.846 294 Q CB -0.069 28.658 28.738 -0.018 0.000 0.902 294 Q HN 0.620 nan 8.270 nan 0.000 0.421 295 Q N -0.830 118.867 119.800 -0.171 0.000 2.187 295 Q HA -0.000 4.340 4.340 0.001 0.000 0.199 295 Q C 1.890 177.834 176.000 -0.093 0.000 0.957 295 Q CA 1.377 57.087 55.803 -0.156 0.000 0.857 295 Q CB 0.322 28.939 28.738 -0.202 0.000 0.929 295 Q HN 0.264 nan 8.270 nan 0.000 0.453 296 S N -0.065 115.585 115.700 -0.084 0.000 2.514 296 S HA 0.196 4.667 4.470 0.001 0.000 0.223 296 S C 1.584 176.141 174.600 -0.072 0.000 1.046 296 S CA -0.030 58.129 58.200 -0.067 0.000 0.914 296 S CB 0.511 63.676 63.200 -0.059 0.000 0.807 296 S HN 0.179 nan 8.310 nan 0.000 0.497 297 L N 1.170 122.343 121.223 -0.084 0.000 2.664 297 L HA 0.318 4.659 4.340 0.001 0.000 0.233 297 L C 1.153 177.983 176.870 -0.067 0.000 1.113 297 L CA 0.098 54.887 54.840 -0.084 0.000 0.896 297 L CB -0.139 41.855 42.059 -0.109 0.000 1.163 297 L HN 0.459 nan 8.230 nan 0.000 0.497 301 E N 0.232 120.365 120.200 -0.111 0.000 2.171 301 E HA -0.214 4.136 4.350 0.001 0.000 0.197 301 E C 1.662 178.377 176.600 0.191 0.000 0.997 301 E CA 1.432 57.737 56.400 -0.158 0.000 0.810 301 E CB 0.073 29.430 29.700 -0.572 0.000 0.738 301 E HN 0.671 nan 8.360 nan 0.000 0.467 302 E N 0.815 121.072 120.200 0.095 0.000 2.112 302 E HA -0.166 4.184 4.350 0.001 0.000 0.190 302 E C 1.937 178.611 176.600 0.124 0.000 0.979 302 E CA 0.770 57.239 56.400 0.115 0.000 0.814 302 E CB 0.153 29.888 29.700 0.058 0.000 0.762 302 E HN 0.356 nan 8.360 nan 0.000 0.460 303 Q N -0.155 119.708 119.800 0.105 0.000 2.167 303 Q HA -0.069 4.272 4.340 0.001 0.000 0.202 303 Q C 2.079 178.173 176.000 0.157 0.000 0.970 303 Q CA 1.048 56.908 55.803 0.096 0.000 0.855 303 Q CB -0.033 28.738 28.738 0.054 0.000 0.911 303 Q HN 0.219 nan 8.270 nan 0.000 0.438 304 A N 1.542 124.516 122.820 0.255 0.000 1.845 304 A HA -0.208 4.113 4.320 0.001 0.000 0.215 304 A C 1.997 179.764 177.584 0.306 0.000 1.195 304 A CA 1.318 53.597 52.037 0.403 0.000 0.616 304 A CB -0.475 18.876 19.000 0.585 0.000 0.832 304 A HN 0.201 nan 8.150 nan 0.000 0.443 305 R N -1.083 119.567 120.500 0.251 0.000 2.117 305 R HA -0.172 4.168 4.340 0.001 0.000 0.243 305 R C 2.500 178.861 176.300 0.102 0.000 1.143 305 R CA 1.795 57.972 56.100 0.128 0.000 0.968 305 R CB -0.291 30.096 30.300 0.144 0.000 0.863 305 R HN 0.516 nan 8.270 nan 0.000 0.444 306 R N 0.567 121.136 120.500 0.115 0.000 2.073 306 R HA -0.031 4.309 4.340 0.001 0.000 0.229 306 R C 2.313 178.664 176.300 0.084 0.000 1.120 306 R CA 1.000 57.149 56.100 0.081 0.000 0.967 306 R CB -0.125 30.216 30.300 0.068 0.000 0.862 306 R HN 0.154 nan 8.270 nan 0.000 0.436 307 L N -0.224 121.071 121.223 0.119 0.000 1.994 307 L HA -0.155 4.185 4.340 0.001 0.000 0.208 307 L C 2.623 179.600 176.870 0.178 0.000 1.071 307 L CA 1.370 56.278 54.840 0.114 0.000 0.745 307 L CB -0.612 41.485 42.059 0.062 0.000 0.892 307 L HN 0.301 nan 8.230 nan 0.000 0.431 308 A N -0.414 122.562 122.820 0.259 0.000 1.892 308 A HA -0.334 3.987 4.320 0.001 0.000 0.218 308 A C 2.194 179.818 177.584 0.066 0.000 1.188 308 A CA 2.220 54.351 52.037 0.157 0.000 0.631 308 A CB -0.664 18.329 19.000 -0.012 0.000 0.822 308 A HN 0.422 nan 8.150 nan 0.000 0.447 309 Q N 0.301 120.128 119.800 0.046 0.000 2.124 309 Q HA -0.134 4.207 4.340 0.001 0.000 0.202 309 Q C 1.731 177.743 176.000 0.020 0.000 0.977 309 Q CA 2.169 57.983 55.803 0.019 0.000 0.850 309 Q CB -0.682 28.067 28.738 0.018 0.000 0.901 309 Q HN 0.828 nan 8.270 nan 0.000 0.429 310 N N -0.857 117.865 118.700 0.036 0.000 2.104 310 N HA -0.175 4.566 4.740 0.001 0.000 0.190 310 N C 1.648 177.171 175.510 0.021 0.000 1.024 310 N CA 1.308 54.374 53.050 0.026 0.000 0.853 310 N CB -0.137 38.368 38.487 0.030 0.000 1.008 310 N HN 0.389 nan 8.380 nan 0.000 0.424 311 S N 1.088 116.811 115.700 0.038 0.000 2.382 311 S HA -0.069 4.402 4.470 0.001 0.000 0.228 311 S C 1.949 176.545 174.600 -0.005 0.000 1.027 311 S CA 0.725 58.947 58.200 0.036 0.000 0.991 311 S CB -0.587 62.660 63.200 0.078 0.000 0.823 311 S HN 0.225 nan 8.310 nan 0.000 0.469 312 L N 1.477 122.688 121.223 -0.020 0.000 2.072 312 L HA -0.038 4.302 4.340 0.001 0.000 0.205 312 L C 2.288 179.111 176.870 -0.078 0.000 1.079 312 L CA 1.371 56.170 54.840 -0.069 0.000 0.752 312 L CB -0.674 41.352 42.059 -0.054 0.000 0.906 312 L HN 0.230 nan 8.230 nan 0.000 0.436 313 D N 0.550 120.926 120.400 -0.040 0.000 2.219 313 D HA -0.117 4.524 4.640 0.001 0.000 0.205 313 D C 1.966 178.246 176.300 -0.032 0.000 0.970 313 D CA 1.366 55.346 54.000 -0.032 0.000 0.851 313 D CB 0.079 40.872 40.800 -0.012 0.000 0.943 313 D HN 0.325 nan 8.370 nan 0.000 0.488 314 A N 0.463 123.266 122.820 -0.028 0.000 2.251 314 A HA 0.053 4.373 4.320 0.001 0.000 0.209 314 A C 0.976 178.545 177.584 -0.025 0.000 1.187 314 A CA -0.198 51.832 52.037 -0.012 0.000 0.823 314 A CB -0.115 18.890 19.000 0.009 0.000 0.846 314 A HN 0.019 nan 8.150 nan 0.000 0.486 315 R N -0.344 120.104 120.500 -0.087 0.000 2.640 315 R HA 0.186 4.526 4.340 0.001 0.000 0.270 315 R C 0.404 176.678 176.300 -0.044 0.000 1.024 315 R CA -0.018 55.999 56.100 -0.139 0.000 1.085 315 R CB 0.337 30.387 30.300 -0.417 0.000 0.963 315 R HN 0.370 nan 8.270 nan 0.000 0.426 316 L N 2.161 123.401 121.223 0.028 0.000 2.477 316 L HA 0.148 4.489 4.340 0.001 0.000 0.220 316 L C 0.651 177.557 176.870 0.060 0.000 1.106 316 L CA 0.232 55.105 54.840 0.056 0.000 0.851 316 L CB 0.412 42.527 42.059 0.092 0.000 0.994 316 L HN 0.375 nan 8.230 nan 0.000 0.462 317 V N 0.000 119.965 119.914 0.085 0.000 2.409 317 V HA 0.000 4.120 4.120 0.001 0.000 0.244 317 V CA 0.000 62.359 62.300 0.098 0.000 1.235 317 V CB 0.000 31.887 31.823 0.107 0.000 1.184 317 V HN 0.000 nan 8.190 nan 0.000 0.556