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 1zl0_1_B DATA FIRST_RESID 7 DATA SEQUENCE SDQTWQPIDG RVALIAPASA IATDVLEATL RQLEVHGVDY HLGRHVEARY DATA SEQUENCE RYLAGTVEQR LEDLHNAFDM PDITAVWCLR GGYGCGQLLP GLDWGRLQAA DATA SEQUENCE SPRPLIGFSD ISVLLSAFHR HGLPAIHGPV ATGLGLSPLS APREQQERLA DATA SEQUENCE SLASVSRLLA GIDHELPVQH LGGHKQRVEG ALIGGNLTAL ACMAGTLGGL DATA SEQUENCE HAPAGSILVL EDVGEPYYRL ERSLWQLLES IDARQLGAIC LGSFTDCPRK DATA SEQUENCE EVAHSLERIF GEYAAAIEVP LYHHLPSGHG AQNRAWPYGK TAVLEGNRLR DATA SEQUENCE WGS 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 7 S HA 0.000 nan 4.470 nan 0.000 0.327 7 S C 0.000 174.633 174.600 0.054 0.000 1.055 7 S CA 0.000 58.230 58.200 0.050 0.000 1.107 7 S CB 0.000 63.224 63.200 0.040 0.000 0.593 8 D N 1.749 122.174 120.400 0.043 0.000 2.350 8 D HA -0.046 4.594 4.640 0.001 0.000 0.216 8 D C 1.324 177.654 176.300 0.051 0.000 0.968 8 D CA 0.746 54.766 54.000 0.034 0.000 0.894 8 D CB -0.472 40.340 40.800 0.019 0.000 0.909 8 D HN 0.554 nan 8.370 nan 0.000 0.520 9 Q N -0.387 119.465 119.800 0.086 0.000 2.403 9 Q HA 0.084 4.424 4.340 0.001 0.000 0.203 9 Q C -0.004 176.140 176.000 0.240 0.000 0.932 9 Q CA 0.376 56.266 55.803 0.145 0.000 0.945 9 Q CB 0.322 29.143 28.738 0.139 0.000 1.045 9 Q HN 0.137 nan 8.270 nan 0.000 0.511 10 T N 1.383 116.051 114.554 0.189 0.000 2.761 10 T HA 0.084 4.435 4.350 0.001 0.000 0.296 10 T C -0.533 174.340 174.700 0.287 0.000 0.934 10 T CA -0.383 61.861 62.100 0.241 0.000 1.091 10 T CB 0.276 69.234 68.868 0.149 0.000 0.896 10 T HN 0.124 nan 8.240 nan 0.000 0.515 11 W N 2.228 123.549 121.300 0.034 0.000 2.129 11 W HA 0.334 4.994 4.660 0.001 0.000 0.349 11 W C 0.736 177.268 176.519 0.021 0.000 1.279 11 W CA -0.752 56.587 57.345 -0.010 0.000 1.306 11 W CB 0.280 29.700 29.460 -0.067 0.000 1.140 11 W HN 0.377 nan 8.180 nan 0.000 0.613 12 Q N 1.395 121.318 119.800 0.205 0.000 2.214 12 Q HA 0.358 4.698 4.340 0.001 0.000 0.251 12 Q C -2.032 174.090 176.000 0.204 0.000 0.936 12 Q CA -2.040 53.854 55.803 0.152 0.000 0.894 12 Q CB 0.395 29.169 28.738 0.060 0.000 1.252 12 Q HN 0.019 nan 8.270 nan 0.000 0.448 13 P HA 0.090 nan 4.420 nan 0.000 0.267 13 P C -0.492 176.886 177.300 0.130 0.000 1.200 13 P CA 0.364 63.558 63.100 0.157 0.000 0.772 13 P CB 0.423 32.186 31.700 0.106 0.000 0.855 14 I N 2.467 123.126 120.570 0.148 0.000 2.339 14 I HA 0.194 4.364 4.170 0.001 0.000 0.290 14 I C 0.362 176.529 176.117 0.083 0.000 0.994 14 I CA -0.749 60.614 61.300 0.106 0.000 1.191 14 I CB 0.998 39.082 38.000 0.139 0.000 1.343 14 I HN 0.183 nan 8.210 nan 0.000 0.458 15 D N 4.657 125.088 120.400 0.052 0.000 2.382 15 D HA 0.337 4.978 4.640 0.001 0.000 0.240 15 D C 0.881 177.205 176.300 0.040 0.000 1.146 15 D CA 0.994 55.019 54.000 0.042 0.000 0.897 15 D CB 0.906 41.724 40.800 0.029 0.000 1.197 15 D HN 0.819 nan 8.370 nan 0.000 0.432 16 G N 1.376 110.196 108.800 0.033 0.000 2.611 16 G HA2 -0.307 3.654 3.960 0.001 0.000 0.301 16 G HA3 -0.307 3.654 3.960 0.001 0.000 0.301 16 G C 0.006 174.929 174.900 0.039 0.000 1.233 16 G CA 0.468 45.584 45.100 0.026 0.000 0.993 16 G HN 0.725 nan 8.290 nan 0.000 0.553 17 R N -1.267 119.255 120.500 0.038 0.000 2.686 17 R HA 0.604 4.945 4.340 0.001 0.000 0.283 17 R C -0.933 175.416 176.300 0.082 0.000 0.978 17 R CA -0.738 55.400 56.100 0.063 0.000 0.897 17 R CB 2.063 32.388 30.300 0.042 0.000 1.192 17 R HN 0.547 nan 8.270 nan 0.000 0.457 18 V N 3.143 123.147 119.914 0.150 0.000 2.394 18 V HA 0.472 4.592 4.120 0.001 0.000 0.282 18 V C 0.080 176.289 176.094 0.193 0.000 1.031 18 V CA -0.697 61.709 62.300 0.177 0.000 0.881 18 V CB 1.307 33.300 31.823 0.284 0.000 0.982 18 V HN 0.899 nan 8.190 nan 0.000 0.451 19 A N 6.691 129.587 122.820 0.127 0.000 2.320 19 A HA 0.707 5.027 4.320 0.001 0.000 0.287 19 A C -0.433 177.242 177.584 0.153 0.000 1.181 19 A CA -0.335 51.789 52.037 0.144 0.000 0.831 19 A CB 0.048 19.068 19.000 0.034 0.000 1.102 19 A HN 0.822 nan 8.150 nan 0.000 0.513 20 L N 4.247 125.562 121.223 0.154 0.000 2.282 20 L HA 0.627 4.967 4.340 0.001 0.000 0.288 20 L C -0.040 176.868 176.870 0.062 0.000 1.033 20 L CA -0.292 54.591 54.840 0.072 0.000 0.807 20 L CB 0.818 42.868 42.059 -0.015 0.000 1.209 20 L HN 0.769 nan 8.230 nan 0.000 0.423 21 I N 0.239 120.833 120.570 0.040 0.000 3.074 21 I HA 0.905 5.076 4.170 0.001 0.000 0.310 21 I C -0.637 175.478 176.117 -0.004 0.000 1.153 21 I CA -0.908 60.411 61.300 0.032 0.000 0.993 21 I CB 2.491 40.520 38.000 0.049 0.000 1.237 21 I HN 0.509 nan 8.210 nan 0.000 0.443 22 A N 4.034 126.850 122.820 -0.007 0.000 2.842 22 A HA 0.643 4.963 4.320 0.001 0.000 0.339 22 A C -2.270 175.294 177.584 -0.033 0.000 1.177 22 A CA -1.182 50.840 52.037 -0.025 0.000 0.797 22 A CB 0.038 19.026 19.000 -0.019 0.000 1.094 22 A HN 0.676 nan 8.150 nan 0.000 0.474 23 P HA 0.223 nan 4.420 nan 0.000 0.255 23 P C 0.683 177.925 177.300 -0.097 0.000 1.248 23 P CA 1.111 64.165 63.100 -0.075 0.000 0.807 23 P CB 0.870 32.518 31.700 -0.086 0.000 1.150 24 A N 0.500 123.268 122.820 -0.087 0.000 2.970 24 A HA 0.539 4.860 4.320 0.001 0.000 0.197 24 A C 0.255 177.806 177.584 -0.054 0.000 1.411 24 A CA 0.309 52.280 52.037 -0.110 0.000 1.518 24 A CB -0.457 18.477 19.000 -0.110 0.000 1.658 24 A HN 0.129 nan 8.150 nan 0.000 0.539 25 S N 0.332 116.021 115.700 -0.018 0.000 2.592 25 S HA 0.598 5.068 4.470 0.001 0.000 0.271 25 S C 0.433 175.051 174.600 0.030 0.000 1.326 25 S CA -0.019 58.208 58.200 0.044 0.000 1.024 25 S CB 0.788 64.028 63.200 0.067 0.000 0.921 25 S HN 1.755 nan 8.310 nan 0.000 0.527 26 A N 2.237 125.092 122.820 0.057 0.000 2.466 26 A HA 0.415 4.736 4.320 0.001 0.000 0.238 26 A C 0.128 177.722 177.584 0.017 0.000 1.074 26 A CA -0.494 51.564 52.037 0.036 0.000 0.774 26 A CB -0.228 18.801 19.000 0.048 0.000 1.015 26 A HN 0.985 nan 8.150 nan 0.000 0.498 27 I N 1.258 121.829 120.570 0.002 0.000 2.359 27 I HA 0.542 4.712 4.170 0.001 0.000 0.294 27 I C 0.575 176.684 176.117 -0.013 0.000 0.987 27 I CA -0.616 60.674 61.300 -0.016 0.000 1.225 27 I CB 1.308 39.289 38.000 -0.032 0.000 1.366 27 I HN 0.751 nan 8.210 nan 0.000 0.466 28 A N 4.488 127.298 122.820 -0.016 0.000 2.450 28 A HA 0.271 4.592 4.320 0.001 0.000 0.255 28 A C 1.265 178.833 177.584 -0.027 0.000 1.096 28 A CA 0.189 52.217 52.037 -0.015 0.000 0.778 28 A CB 0.247 19.240 19.000 -0.012 0.000 1.031 28 A HN 0.896 nan 8.150 nan 0.000 0.494 29 T N 0.226 114.766 114.554 -0.023 0.000 2.788 29 T HA -0.161 4.189 4.350 0.001 0.000 0.268 29 T C 0.940 175.619 174.700 -0.035 0.000 1.044 29 T CA 1.814 63.896 62.100 -0.030 0.000 1.139 29 T CB -0.390 68.464 68.868 -0.023 0.000 0.867 29 T HN 0.602 nan 8.240 nan 0.000 0.454 30 D N 1.221 121.604 120.400 -0.028 0.000 2.117 30 D HA -0.033 4.607 4.640 0.001 0.000 0.197 30 D C 2.327 178.604 176.300 -0.039 0.000 0.987 30 D CA 0.721 54.703 54.000 -0.029 0.000 0.829 30 D CB -0.564 40.224 40.800 -0.020 0.000 0.961 30 D HN 0.331 nan 8.370 nan 0.000 0.460 31 V N 1.024 120.914 119.914 -0.040 0.000 2.358 31 V HA -0.186 3.935 4.120 0.001 0.000 0.246 31 V C 2.430 178.478 176.094 -0.078 0.000 1.047 31 V CA 0.901 63.171 62.300 -0.051 0.000 1.035 31 V CB -0.455 31.343 31.823 -0.042 0.000 0.658 31 V HN 0.126 nan 8.190 nan 0.000 0.452 32 L N 0.412 121.586 121.223 -0.082 0.000 1.989 32 L HA -0.173 4.167 4.340 0.001 0.000 0.211 32 L C 2.524 179.321 176.870 -0.122 0.000 1.071 32 L CA 2.035 56.808 54.840 -0.112 0.000 0.749 32 L CB -0.820 41.181 42.059 -0.096 0.000 0.890 32 L HN 0.277 nan 8.230 nan 0.000 0.431 33 E N -0.018 120.130 120.200 -0.087 0.000 2.077 33 E HA -0.177 4.173 4.350 0.001 0.000 0.193 33 E C 2.208 178.758 176.600 -0.083 0.000 0.989 33 E CA 1.337 57.690 56.400 -0.079 0.000 0.800 33 E CB -0.553 29.117 29.700 -0.051 0.000 0.746 33 E HN 0.652 nan 8.360 nan 0.000 0.452 34 A N 0.833 123.608 122.820 -0.074 0.000 1.972 34 A HA -0.139 4.182 4.320 0.001 0.000 0.219 34 A C 2.431 179.962 177.584 -0.089 0.000 1.169 34 A CA 1.883 53.880 52.037 -0.066 0.000 0.635 34 A CB -0.785 18.185 19.000 -0.049 0.000 0.810 34 A HN 0.221 nan 8.150 nan 0.000 0.446 35 T N 0.700 115.178 114.554 -0.125 0.000 2.708 35 T HA -0.115 4.235 4.350 0.001 0.000 0.266 35 T C 1.810 176.379 174.700 -0.218 0.000 1.037 35 T CA 1.567 63.560 62.100 -0.178 0.000 1.146 35 T CB -0.414 68.313 68.868 -0.234 0.000 0.865 35 T HN 0.399 nan 8.240 nan 0.000 0.435 36 L N 0.329 121.396 121.223 -0.260 0.000 2.046 36 L HA -0.083 4.257 4.340 0.001 0.000 0.208 36 L C 3.008 179.799 176.870 -0.131 0.000 1.077 36 L CA 1.111 55.746 54.840 -0.342 0.000 0.747 36 L CB -0.549 41.321 42.059 -0.315 0.000 0.896 36 L HN 0.082 nan 8.230 nan 0.000 0.432 37 R N 0.126 120.577 120.500 -0.081 0.000 2.096 37 R HA -0.195 4.145 4.340 0.001 0.000 0.235 37 R C 2.209 178.477 176.300 -0.054 0.000 1.127 37 R CA 1.361 57.434 56.100 -0.044 0.000 0.968 37 R CB -0.528 29.744 30.300 -0.047 0.000 0.861 37 R HN 0.344 nan 8.270 nan 0.000 0.440 38 Q N 0.884 120.647 119.800 -0.061 0.000 2.119 38 Q HA -0.008 4.333 4.340 0.001 0.000 0.201 38 Q C 2.133 178.125 176.000 -0.015 0.000 0.972 38 Q CA 1.210 56.987 55.803 -0.044 0.000 0.847 38 Q CB -0.258 28.480 28.738 0.000 0.000 0.903 38 Q HN 0.307 nan 8.270 nan 0.000 0.433 39 L N 0.108 121.327 121.223 -0.006 0.000 2.042 39 L HA -0.207 4.134 4.340 0.001 0.000 0.210 39 L C 2.268 179.201 176.870 0.106 0.000 1.076 39 L CA 1.706 56.595 54.840 0.082 0.000 0.749 39 L CB -0.412 41.681 42.059 0.058 0.000 0.893 39 L HN 0.317 nan 8.230 nan 0.000 0.432 40 E N -0.473 119.781 120.200 0.091 0.000 2.077 40 E HA -0.193 4.157 4.350 0.001 0.000 0.193 40 E C 2.271 178.841 176.600 -0.050 0.000 0.989 40 E CA 1.259 57.696 56.400 0.063 0.000 0.800 40 E CB -0.128 29.611 29.700 0.066 0.000 0.746 40 E HN 0.222 nan 8.360 nan 0.000 0.452 41 V N 1.305 121.135 119.914 -0.140 0.000 2.380 41 V HA -0.248 3.873 4.120 0.001 0.000 0.251 41 V C 1.756 177.587 176.094 -0.439 0.000 1.063 41 V CA 1.731 63.854 62.300 -0.296 0.000 1.055 41 V CB -0.531 31.049 31.823 -0.405 0.000 0.657 41 V HN 0.383 nan 8.190 nan 0.000 0.455 42 H N -0.318 118.587 119.070 -0.276 0.000 2.533 42 H HA 0.225 4.781 4.556 0.001 0.000 0.271 42 H C 1.916 177.184 175.328 -0.099 0.000 1.000 42 H CA 0.749 56.602 56.048 -0.324 0.000 1.149 42 H CB -0.057 29.247 29.762 -0.764 0.000 1.375 42 H HN 0.529 nan 8.280 nan 0.000 0.582 43 G N 1.249 110.063 108.800 0.023 0.000 2.179 43 G HA2 -0.284 3.676 3.960 0.001 0.000 0.257 43 G HA3 -0.284 3.676 3.960 0.001 0.000 0.257 43 G C 0.230 175.197 174.900 0.112 0.000 1.010 43 G CA 0.446 45.579 45.100 0.056 0.000 0.736 43 G HN 0.240 nan 8.290 nan 0.000 0.513 44 V N 0.987 121.004 119.914 0.172 0.000 2.408 44 V HA 0.336 4.456 4.120 0.001 0.000 0.267 44 V C 0.556 176.779 176.094 0.214 0.000 1.047 44 V CA -0.646 61.794 62.300 0.233 0.000 0.937 44 V CB 1.512 33.541 31.823 0.344 0.000 0.999 44 V HN 0.381 nan 8.190 nan 0.000 0.472 45 D N 4.642 125.119 120.400 0.128 0.000 2.351 45 D HA 0.297 4.938 4.640 0.001 0.000 0.251 45 D C -0.584 175.779 176.300 0.106 0.000 1.137 45 D CA 0.206 54.220 54.000 0.023 0.000 0.879 45 D CB 0.559 41.359 40.800 0.000 0.000 1.181 45 D HN 0.534 nan 8.370 nan 0.000 0.448 46 Y N 0.681 121.021 120.300 0.068 0.000 2.605 46 Y HA 0.517 5.068 4.550 0.001 0.000 0.343 46 Y C -0.898 175.053 175.900 0.086 0.000 1.036 46 Y CA -1.203 56.944 58.100 0.079 0.000 1.065 46 Y CB 1.226 39.718 38.460 0.053 0.000 1.288 46 Y HN 0.361 nan 8.280 nan 0.000 0.481 47 H N 2.767 121.958 119.070 0.203 0.000 2.547 47 H HA 0.438 4.994 4.556 0.001 0.000 0.342 47 H C -1.950 173.486 175.328 0.179 0.000 1.048 47 H CA -0.829 55.296 56.048 0.128 0.000 1.204 47 H CB 2.135 31.925 29.762 0.048 0.000 1.493 47 H HN 0.828 nan 8.280 nan 0.000 0.511 48 L N 5.014 126.024 121.223 -0.355 0.000 2.260 48 L HA 0.351 4.692 4.340 0.001 0.000 0.289 48 L C 0.763 177.457 176.870 -0.293 0.000 1.057 48 L CA -0.013 54.707 54.840 -0.201 0.000 0.811 48 L CB 0.759 42.749 42.059 -0.114 0.000 1.184 48 L HN 0.835 nan 8.230 nan 0.000 0.429 49 G N 3.836 112.624 108.800 -0.020 0.000 2.414 49 G HA2 -0.020 3.941 3.960 0.001 0.000 0.236 49 G HA3 -0.020 3.941 3.960 0.001 0.000 0.236 49 G C 0.791 175.668 174.900 -0.038 0.000 1.293 49 G CA -0.154 44.985 45.100 0.067 0.000 0.869 49 G HN 0.899 nan 8.290 nan 0.000 0.556 50 R N 0.555 121.014 120.500 -0.069 0.000 2.127 50 R HA -0.113 4.227 4.340 0.001 0.000 0.238 50 R C 0.850 176.921 176.300 -0.381 0.000 1.134 50 R CA 1.287 57.226 56.100 -0.269 0.000 0.975 50 R CB -0.065 29.991 30.300 -0.406 0.000 0.865 50 R HN 0.733 nan 8.270 nan 0.000 0.447 51 H N -0.809 118.266 119.070 0.008 0.000 2.505 51 H HA 0.114 4.670 4.556 0.001 0.000 0.286 51 H C 1.529 176.850 175.328 -0.011 0.000 1.072 51 H CA -0.058 55.987 56.048 -0.004 0.000 1.141 51 H CB 0.843 30.601 29.762 -0.007 0.000 1.550 51 H HN 0.017 nan 8.280 nan 0.000 0.547 52 V N 0.819 120.759 119.914 0.044 0.000 2.594 52 V HA -0.210 3.911 4.120 0.001 0.000 0.253 52 V C 1.451 177.552 176.094 0.012 0.000 1.069 52 V CA 1.838 64.149 62.300 0.019 0.000 1.082 52 V CB -0.048 31.763 31.823 -0.021 0.000 0.680 52 V HN 0.359 nan 8.190 nan 0.000 0.469 53 E N 0.083 120.290 120.200 0.012 0.000 2.479 53 E HA 0.303 4.654 4.350 0.001 0.000 0.193 53 E C 0.824 177.441 176.600 0.029 0.000 1.049 53 E CA 0.374 56.779 56.400 0.008 0.000 0.870 53 E CB 0.028 29.726 29.700 -0.004 0.000 0.944 53 E HN 0.597 nan 8.360 nan 0.000 0.492 54 A N 1.632 124.485 122.820 0.055 0.000 2.483 54 A HA 0.274 4.594 4.320 0.001 0.000 0.238 54 A C 0.059 177.675 177.584 0.053 0.000 1.070 54 A CA 0.149 52.224 52.037 0.065 0.000 0.770 54 A CB 0.345 19.397 19.000 0.087 0.000 1.008 54 A HN 0.101 nan 8.150 nan 0.000 0.497 55 R N 0.313 120.848 120.500 0.059 0.000 2.532 55 R HA 0.388 4.729 4.340 0.001 0.000 0.297 55 R C -2.092 174.264 176.300 0.094 0.000 0.984 55 R CA -0.421 55.710 56.100 0.053 0.000 0.884 55 R CB 1.905 32.217 30.300 0.020 0.000 1.182 55 R HN 0.734 nan 8.270 nan 0.000 0.442 56 Y N 5.022 125.276 120.300 -0.077 0.000 2.373 56 Y HA 0.157 4.708 4.550 0.001 0.000 0.327 56 Y C 0.475 176.257 175.900 -0.197 0.000 1.036 56 Y CA -0.553 57.482 58.100 -0.109 0.000 1.265 56 Y CB 0.374 38.777 38.460 -0.095 0.000 1.108 56 Y HN 0.830 nan 8.280 nan 0.000 0.471 57 R N 1.467 121.663 120.500 -0.507 0.000 3.657 57 R HA -0.405 3.936 4.340 0.001 0.000 0.533 57 R C -0.047 176.038 176.300 -0.360 0.000 0.241 57 R CA 2.208 57.989 56.100 -0.531 0.000 1.659 57 R CB -1.693 28.103 30.300 -0.839 0.000 0.920 57 R HN 0.683 nan 8.270 nan 0.000 0.599 58 Y N 0.567 120.871 120.300 0.007 0.000 2.529 58 Y HA 0.484 5.034 4.550 0.001 0.000 0.290 58 Y C 1.101 177.032 175.900 0.052 0.000 1.177 58 Y CA -0.386 57.734 58.100 0.035 0.000 1.305 58 Y CB -0.189 38.302 38.460 0.051 0.000 1.047 58 Y HN 0.188 nan 8.280 nan 0.000 0.522 59 L N 1.039 122.313 121.223 0.086 0.000 2.418 59 L HA 0.510 4.850 4.340 0.001 0.000 0.265 59 L C 0.797 177.709 176.870 0.071 0.000 1.143 59 L CA -0.858 54.051 54.840 0.116 0.000 0.809 59 L CB 0.918 43.041 42.059 0.105 0.000 1.124 59 L HN 0.167 nan 8.230 nan 0.000 0.456 60 A N 2.634 125.478 122.820 0.041 0.000 3.048 60 A HA 0.520 4.841 4.320 0.001 0.000 0.264 60 A C 0.824 178.420 177.584 0.020 0.000 1.796 60 A CA 0.470 52.523 52.037 0.027 0.000 1.445 60 A CB -1.474 17.531 19.000 0.008 0.000 1.074 60 A HN 0.992 nan 8.150 nan 0.000 0.621 61 G N 0.365 109.193 108.800 0.046 0.000 2.757 61 G HA2 0.091 4.051 3.960 0.001 0.000 0.638 61 G HA3 0.091 4.051 3.960 0.001 0.000 0.638 61 G C 0.146 175.000 174.900 -0.076 0.000 1.344 61 G CA -0.199 44.903 45.100 0.003 0.000 0.855 61 G HN 1.873 nan 8.290 nan 0.000 0.537 62 T N -2.110 112.292 114.554 -0.253 0.000 2.802 62 T HA 0.451 4.802 4.350 0.001 0.000 0.305 62 T C 1.826 176.386 174.700 -0.233 0.000 1.053 62 T CA 0.406 62.273 62.100 -0.387 0.000 1.058 62 T CB 1.356 69.918 68.868 -0.511 0.000 0.988 62 T HN 1.485 nan 8.240 nan 0.000 0.539 63 V N 1.251 121.046 119.914 -0.199 0.000 2.324 63 V HA -0.163 3.957 4.120 0.001 0.000 0.250 63 V C 2.887 178.890 176.094 -0.151 0.000 1.060 63 V CA 2.547 64.760 62.300 -0.144 0.000 1.042 63 V CB -1.160 30.599 31.823 -0.107 0.000 0.650 63 V HN 1.051 nan 8.190 nan 0.000 0.450 64 E N 0.264 120.362 120.200 -0.169 0.000 2.077 64 E HA -0.246 4.104 4.350 0.001 0.000 0.193 64 E C 2.196 178.679 176.600 -0.196 0.000 0.989 64 E CA 1.715 58.024 56.400 -0.151 0.000 0.800 64 E CB -0.343 29.278 29.700 -0.132 0.000 0.746 64 E HN 0.677 nan 8.360 nan 0.000 0.452 65 Q N -0.275 119.345 119.800 -0.300 0.000 2.084 65 Q HA -0.107 4.234 4.340 0.001 0.000 0.202 65 Q C 2.427 178.278 176.000 -0.249 0.000 0.978 65 Q CA 1.592 57.088 55.803 -0.511 0.000 0.844 65 Q CB -0.133 28.248 28.738 -0.595 0.000 0.898 65 Q HN 0.215 nan 8.270 nan 0.000 0.426 66 R N 0.205 120.611 120.500 -0.156 0.000 2.092 66 R HA -0.072 4.269 4.340 0.001 0.000 0.231 66 R C 2.299 178.540 176.300 -0.098 0.000 1.119 66 R CA 0.896 56.944 56.100 -0.087 0.000 0.970 66 R CB -0.236 30.007 30.300 -0.095 0.000 0.864 66 R HN 0.232 nan 8.270 nan 0.000 0.440 67 L N 0.704 121.848 121.223 -0.131 0.000 2.083 67 L HA -0.186 4.155 4.340 0.001 0.000 0.209 67 L C 2.199 179.023 176.870 -0.076 0.000 1.083 67 L CA 1.416 56.145 54.840 -0.186 0.000 0.752 67 L CB -0.321 41.664 42.059 -0.123 0.000 0.899 67 L HN 0.248 nan 8.230 nan 0.000 0.433 68 E N -0.062 120.150 120.200 0.019 0.000 2.077 68 E HA -0.232 4.119 4.350 0.001 0.000 0.193 68 E C 1.715 178.398 176.600 0.139 0.000 0.989 68 E CA 1.447 57.917 56.400 0.118 0.000 0.800 68 E CB -0.048 29.732 29.700 0.133 0.000 0.746 68 E HN 0.467 nan 8.360 nan 0.000 0.452 69 D N 0.492 120.974 120.400 0.137 0.000 2.117 69 D HA -0.131 4.510 4.640 0.001 0.000 0.198 69 D C 1.864 178.221 176.300 0.094 0.000 0.982 69 D CA 0.510 54.592 54.000 0.137 0.000 0.828 69 D CB -0.199 40.684 40.800 0.139 0.000 0.967 69 D HN 0.040 nan 8.370 nan 0.000 0.464 70 L N 0.635 121.869 121.223 0.018 0.000 2.027 70 L HA -0.143 4.197 4.340 0.001 0.000 0.206 70 L C 2.014 178.956 176.870 0.121 0.000 1.074 70 L CA 1.880 56.737 54.840 0.027 0.000 0.745 70 L CB -0.802 41.175 42.059 -0.138 0.000 0.898 70 L HN 0.119 nan 8.230 nan 0.000 0.433 71 H N -0.235 118.884 119.070 0.083 0.000 2.353 71 H HA -0.111 4.445 4.556 0.001 0.000 0.300 71 H C 2.151 177.546 175.328 0.111 0.000 1.090 71 H CA 1.831 57.924 56.048 0.074 0.000 1.327 71 H CB -0.510 29.248 29.762 -0.007 0.000 1.383 71 H HN 0.504 nan 8.280 nan 0.000 0.508 72 N N 0.255 119.069 118.700 0.191 0.000 2.223 72 N HA -0.093 4.647 4.740 0.001 0.000 0.185 72 N C 2.019 177.547 175.510 0.030 0.000 1.016 72 N CA 0.963 54.067 53.050 0.090 0.000 0.863 72 N CB -0.009 38.512 38.487 0.057 0.000 0.983 72 N HN 0.276 nan 8.380 nan 0.000 0.429 73 A N -0.216 122.641 122.820 0.062 0.000 2.019 73 A HA -0.086 4.235 4.320 0.001 0.000 0.219 73 A C 1.416 178.863 177.584 -0.229 0.000 1.164 73 A CA 1.107 53.106 52.037 -0.063 0.000 0.644 73 A CB -0.573 18.414 19.000 -0.022 0.000 0.805 73 A HN 0.305 nan 8.150 nan 0.000 0.449 74 F N -1.298 118.671 119.950 0.033 0.000 2.776 74 F HA 0.106 4.633 4.527 0.001 0.000 0.300 74 F C 1.782 177.592 175.800 0.018 0.000 1.116 74 F CA 0.766 58.789 58.000 0.039 0.000 1.375 74 F CB 0.235 39.270 39.000 0.058 0.000 1.109 74 F HN 0.266 nan 8.300 nan 0.000 0.585 75 D N -0.329 120.132 120.400 0.100 0.000 2.338 75 D HA 0.065 4.705 4.640 0.001 0.000 0.208 75 D C 0.902 177.194 176.300 -0.014 0.000 0.997 75 D CA 0.457 54.484 54.000 0.045 0.000 0.880 75 D CB 0.256 41.079 40.800 0.038 0.000 0.980 75 D HN -0.029 nan 8.370 nan 0.000 0.509 76 M N 1.926 121.487 119.600 -0.065 0.000 2.238 76 M HA 0.234 4.714 4.480 0.001 0.000 0.347 76 M C -2.131 174.126 176.300 -0.072 0.000 1.173 76 M CA -1.524 53.719 55.300 -0.096 0.000 1.147 76 M CB 1.044 33.536 32.600 -0.181 0.000 1.547 76 M HN -0.069 nan 8.290 nan 0.000 0.455 77 P HA 0.074 nan 4.420 nan 0.000 0.275 77 P C -0.714 176.561 177.300 -0.041 0.000 1.228 77 P CA 0.174 63.252 63.100 -0.037 0.000 0.786 77 P CB 0.685 32.370 31.700 -0.025 0.000 0.927 78 D N -1.226 119.155 120.400 -0.030 0.000 2.946 78 D HA -0.126 4.515 4.640 0.001 0.000 0.202 78 D C 0.291 176.575 176.300 -0.028 0.000 1.068 78 D CA 0.883 54.870 54.000 -0.022 0.000 1.011 78 D CB -1.305 39.486 40.800 -0.014 0.000 1.105 78 D HN 0.317 nan 8.370 nan 0.000 0.425 79 I N 1.607 122.144 120.570 -0.055 0.000 2.598 79 I HA 0.040 4.211 4.170 0.001 0.000 0.284 79 I C 2.130 178.207 176.117 -0.066 0.000 1.140 79 I CA 1.178 62.437 61.300 -0.067 0.000 1.420 79 I CB 0.680 38.601 38.000 -0.132 0.000 1.387 79 I HN 0.078 nan 8.210 nan 0.000 0.553 80 T N 1.913 116.444 114.554 -0.039 0.000 3.010 80 T HA 0.594 4.944 4.350 0.001 0.000 0.257 80 T C 0.314 174.988 174.700 -0.044 0.000 1.020 80 T CA 0.089 62.170 62.100 -0.032 0.000 0.938 80 T CB 0.453 69.316 68.868 -0.008 0.000 1.049 80 T HN 0.719 nan 8.240 nan 0.000 0.522 81 A N 0.351 123.139 122.820 -0.052 0.000 2.594 81 A HA 0.657 4.977 4.320 0.001 0.000 0.296 81 A C -1.559 175.998 177.584 -0.045 0.000 1.061 81 A CA -0.707 51.293 52.037 -0.061 0.000 0.689 81 A CB 1.594 20.549 19.000 -0.074 0.000 1.280 81 A HN 0.301 nan 8.150 nan 0.000 0.406 82 V N 1.955 121.840 119.914 -0.049 0.000 2.304 82 V HA 0.368 4.488 4.120 0.001 0.000 0.278 82 V C -1.113 175.033 176.094 0.087 0.000 1.018 82 V CA -0.361 61.937 62.300 -0.003 0.000 0.814 82 V CB 1.028 32.816 31.823 -0.059 0.000 1.021 82 V HN 0.794 nan 8.190 nan 0.000 0.440 83 W N 5.956 127.222 121.300 -0.057 0.000 2.291 83 W HA 0.492 5.152 4.660 0.001 0.000 0.312 83 W C 0.024 176.504 176.519 -0.065 0.000 1.061 83 W CA -1.556 55.749 57.345 -0.067 0.000 1.296 83 W CB 1.163 30.594 29.460 -0.048 0.000 1.223 83 W HN 0.494 nan 8.180 nan 0.000 0.421 84 C N 6.575 126.031 119.300 0.260 0.000 2.637 84 C HA 0.045 4.506 4.460 0.001 0.000 0.418 84 C C 2.190 177.176 174.990 -0.006 0.000 1.319 84 C CA -0.239 58.822 59.018 0.072 0.000 1.949 84 C CB -0.225 27.520 27.740 0.008 0.000 2.639 84 C HN 0.721 nan 8.230 nan 0.000 0.594 85 L N 1.595 122.773 121.223 -0.075 0.000 2.131 85 L HA 0.075 4.415 4.340 0.001 0.000 0.206 85 L C 1.373 178.177 176.870 -0.110 0.000 1.087 85 L CA 1.351 56.105 54.840 -0.144 0.000 0.767 85 L CB -0.219 41.765 42.059 -0.126 0.000 0.917 85 L HN 0.693 nan 8.230 nan 0.000 0.441 86 R N -1.764 118.689 120.500 -0.078 0.000 2.629 86 R HA 0.387 4.728 4.340 0.001 0.000 0.266 86 R C -0.218 176.025 176.300 -0.095 0.000 1.051 86 R CA -0.035 56.019 56.100 -0.076 0.000 0.895 86 R CB 1.447 31.712 30.300 -0.058 0.000 1.246 86 R HN -0.012 nan 8.270 nan 0.000 0.459 87 G N 0.592 109.307 108.800 -0.142 0.000 3.372 87 G HA2 0.544 4.504 3.960 0.001 0.000 0.178 87 G HA3 0.544 4.504 3.960 0.001 0.000 0.178 87 G C 0.520 175.365 174.900 -0.090 0.000 1.817 87 G CA 0.337 45.341 45.100 -0.160 0.000 0.996 87 G HN 1.053 nan 8.290 nan 0.000 0.559 88 G N -1.115 107.642 108.800 -0.071 0.000 2.826 88 G HA2 -0.008 3.952 3.960 0.001 0.000 0.233 88 G HA3 -0.008 3.952 3.960 0.001 0.000 0.233 88 G C -0.509 174.431 174.900 0.066 0.000 1.296 88 G CA 0.492 45.590 45.100 -0.003 0.000 1.001 88 G HN 1.497 nan 8.290 nan 0.000 0.576 89 Y N 1.655 121.932 120.300 -0.038 0.000 2.409 89 Y HA 0.583 5.133 4.550 0.001 0.000 0.343 89 Y C 0.852 176.771 175.900 0.032 0.000 0.973 89 Y CA 0.397 58.487 58.100 -0.018 0.000 1.064 89 Y CB 1.711 40.138 38.460 -0.055 0.000 1.207 89 Y HN 2.065 nan 8.280 nan 0.000 0.452 90 G N 1.554 109.827 108.800 -0.878 0.000 2.613 90 G HA2 -0.246 3.714 3.960 0.001 0.000 0.199 90 G HA3 -0.246 3.714 3.960 0.001 0.000 0.199 90 G C 0.863 175.511 174.900 -0.419 0.000 0.991 90 G CA 0.110 44.632 45.100 -0.963 0.000 0.756 90 G HN 1.128 nan 8.290 nan 0.000 0.515 91 C N 1.018 120.169 119.300 -0.249 0.000 2.448 91 C HA 0.460 4.921 4.460 0.001 0.000 0.280 91 C C 2.890 177.824 174.990 -0.093 0.000 1.398 91 C CA 1.353 60.283 59.018 -0.147 0.000 1.774 91 C CB -1.194 26.476 27.740 -0.117 0.000 1.888 91 C HN 0.738 nan 8.230 nan 0.000 0.519 92 G N 0.440 109.201 108.800 -0.065 0.000 2.448 92 G HA2 -0.158 3.803 3.960 0.001 0.000 0.219 92 G HA3 -0.158 3.803 3.960 0.001 0.000 0.219 92 G C 1.711 176.614 174.900 0.005 0.000 1.127 92 G CA 0.577 45.683 45.100 0.009 0.000 0.766 92 G HN 0.747 nan 8.290 nan 0.000 0.552 93 Q N -0.349 119.424 119.800 -0.045 0.000 2.291 93 Q HA 0.065 4.405 4.340 0.001 0.000 0.206 93 Q C 2.313 178.292 176.000 -0.036 0.000 0.976 93 Q CA 0.552 56.339 55.803 -0.027 0.000 0.875 93 Q CB -0.179 28.523 28.738 -0.061 0.000 0.927 93 Q HN 0.480 nan 8.270 nan 0.000 0.450 94 L N 0.009 121.196 121.223 -0.060 0.000 2.418 94 L HA -0.061 4.280 4.340 0.001 0.000 0.218 94 L C 1.972 178.801 176.870 -0.068 0.000 1.125 94 L CA 0.260 55.047 54.840 -0.087 0.000 0.835 94 L CB -0.284 41.697 42.059 -0.130 0.000 0.953 94 L HN 0.258 nan 8.230 nan 0.000 0.454 95 L N 0.290 121.515 121.223 0.002 0.000 2.046 95 L HA -0.141 4.199 4.340 0.001 0.000 0.208 95 L C -0.011 176.904 176.870 0.075 0.000 1.077 95 L CA 1.364 56.248 54.840 0.073 0.000 0.747 95 L CB -1.837 40.321 42.059 0.166 0.000 0.896 95 L HN 0.233 nan 8.230 nan 0.000 0.432 96 P HA -0.137 nan 4.420 nan 0.000 0.218 96 P C 1.297 178.614 177.300 0.028 0.000 1.148 96 P CA 1.576 64.713 63.100 0.060 0.000 0.822 96 P CB -0.097 31.629 31.700 0.044 0.000 0.784 97 G N -1.631 107.160 108.800 -0.015 0.000 3.088 97 G HA2 0.116 4.076 3.960 0.001 0.000 0.217 97 G HA3 0.116 4.076 3.960 0.001 0.000 0.217 97 G C 0.272 175.151 174.900 -0.036 0.000 1.159 97 G CA -0.205 44.883 45.100 -0.019 0.000 0.760 97 G HN 0.184 nan 8.290 nan 0.000 0.550 98 L N 1.296 122.408 121.223 -0.184 0.000 2.410 98 L HA 0.172 4.512 4.340 0.001 0.000 0.273 98 L C -0.156 176.479 176.870 -0.391 0.000 1.152 98 L CA -0.520 54.078 54.840 -0.405 0.000 0.855 98 L CB 1.162 42.616 42.059 -1.007 0.000 1.129 98 L HN -0.018 nan 8.230 nan 0.000 0.463 99 D N 2.911 123.232 120.400 -0.132 0.000 2.517 99 D HA 0.018 4.659 4.640 0.001 0.000 0.220 99 D C 0.665 176.805 176.300 -0.266 0.000 1.158 99 D CA -0.185 53.686 54.000 -0.216 0.000 0.992 99 D CB 0.273 40.869 40.800 -0.340 0.000 1.058 99 D HN 0.340 nan 8.370 nan 0.000 0.516 100 W N 2.306 123.500 121.300 -0.176 0.000 2.363 100 W HA -0.041 4.619 4.660 0.001 0.000 0.296 100 W C 2.456 178.857 176.519 -0.196 0.000 1.212 100 W CA 0.798 57.966 57.345 -0.296 0.000 1.260 100 W CB -0.220 28.997 29.460 -0.405 0.000 1.131 100 W HN 0.462 nan 8.180 nan 0.000 0.530 101 G N 0.428 109.280 108.800 0.087 0.000 2.440 101 G HA2 -0.247 3.713 3.960 0.001 0.000 0.218 101 G HA3 -0.247 3.713 3.960 0.001 0.000 0.218 101 G C 1.561 176.465 174.900 0.008 0.000 1.154 101 G CA 0.906 46.033 45.100 0.044 0.000 0.767 101 G HN 0.204 nan 8.290 nan 0.000 0.552 102 R N -0.783 119.699 120.500 -0.031 0.000 2.115 102 R HA 0.084 4.424 4.340 0.001 0.000 0.226 102 R C 2.478 178.779 176.300 0.002 0.000 1.100 102 R CA 0.414 56.504 56.100 -0.017 0.000 0.980 102 R CB -0.360 29.913 30.300 -0.045 0.000 0.875 102 R HN 0.246 nan 8.270 nan 0.000 0.445 103 L N 1.233 122.392 121.223 -0.106 0.000 2.046 103 L HA -0.201 4.140 4.340 0.001 0.000 0.208 103 L C 2.274 179.121 176.870 -0.039 0.000 1.077 103 L CA 1.787 56.483 54.840 -0.239 0.000 0.747 103 L CB -0.599 41.059 42.059 -0.669 0.000 0.896 103 L HN 0.151 nan 8.230 nan 0.000 0.432 104 Q N -1.427 118.365 119.800 -0.014 0.000 2.167 104 Q HA -0.084 4.256 4.340 0.001 0.000 0.202 104 Q C 2.182 178.219 176.000 0.061 0.000 0.970 104 Q CA 1.249 57.072 55.803 0.034 0.000 0.855 104 Q CB -0.241 28.521 28.738 0.040 0.000 0.911 104 Q HN 0.559 nan 8.270 nan 0.000 0.438 105 A N 0.871 123.726 122.820 0.059 0.000 2.119 105 A HA 0.244 4.565 4.320 0.001 0.000 0.216 105 A C 1.114 178.746 177.584 0.081 0.000 1.152 105 A CA 0.478 52.550 52.037 0.059 0.000 0.708 105 A CB -0.205 18.820 19.000 0.042 0.000 0.805 105 A HN 0.313 nan 8.150 nan 0.000 0.460 106 A N 0.814 123.712 122.820 0.130 0.000 2.425 106 A HA 0.485 4.805 4.320 0.001 0.000 0.242 106 A C 0.949 178.603 177.584 0.117 0.000 1.077 106 A CA 0.245 52.371 52.037 0.147 0.000 0.781 106 A CB -0.165 19.001 19.000 0.277 0.000 1.020 106 A HN 1.059 nan 8.150 nan 0.000 0.494 107 S N 1.872 117.616 115.700 0.072 0.000 2.573 107 S HA 0.324 4.794 4.470 0.001 0.000 0.277 107 S C -2.572 172.067 174.600 0.065 0.000 1.346 107 S CA -0.852 57.381 58.200 0.055 0.000 1.034 107 S CB -0.288 62.929 63.200 0.028 0.000 0.879 107 S HN 0.498 nan 8.310 nan 0.000 0.528 108 P HA 0.173 nan 4.420 nan 0.000 0.264 108 P C -0.516 176.815 177.300 0.052 0.000 1.193 108 P CA 0.048 63.197 63.100 0.082 0.000 0.763 108 P CB 0.115 31.855 31.700 0.066 0.000 0.810 109 R N 2.059 122.606 120.500 0.078 0.000 3.107 109 R HA 0.382 4.722 4.340 0.001 0.000 0.251 109 R C -3.225 173.118 176.300 0.072 0.000 1.818 109 R CA -1.903 54.197 56.100 0.001 0.000 1.228 109 R CB 0.287 30.494 30.300 -0.156 0.000 1.459 109 R HN 0.157 nan 8.270 nan 0.000 0.520 110 P HA -0.080 nan 4.420 nan 0.000 0.264 110 P C -0.508 176.798 177.300 0.010 0.000 1.183 110 P CA -0.315 62.817 63.100 0.053 0.000 0.763 110 P CB 0.537 32.213 31.700 -0.039 0.000 0.807 111 L N 5.249 126.484 121.223 0.019 0.000 2.305 111 L HA 0.383 4.724 4.340 0.001 0.000 0.281 111 L C -0.588 176.154 176.870 -0.214 0.000 1.085 111 L CA 0.162 54.915 54.840 -0.146 0.000 0.813 111 L CB -0.039 41.716 42.059 -0.507 0.000 1.157 111 L HN 0.237 nan 8.230 nan 0.000 0.436 112 I N 5.075 125.525 120.570 -0.201 0.000 2.465 112 I HA 0.862 5.032 4.170 0.001 0.000 0.291 112 I C 0.416 176.463 176.117 -0.115 0.000 1.014 112 I CA -0.251 60.893 61.300 -0.260 0.000 1.093 112 I CB 1.703 39.383 38.000 -0.532 0.000 1.267 112 I HN 0.756 nan 8.210 nan 0.000 0.431 113 G N 4.624 113.327 108.800 -0.162 0.000 2.323 113 G HA2 0.484 4.444 3.960 0.001 0.000 0.291 113 G HA3 0.484 4.444 3.960 0.001 0.000 0.291 113 G C -1.586 173.216 174.900 -0.163 0.000 1.278 113 G CA -0.538 44.531 45.100 -0.052 0.000 0.860 113 G HN 0.684 nan 8.290 nan 0.000 0.504 114 F N -1.842 117.870 119.950 -0.398 0.000 3.129 114 F HA 0.804 5.331 4.527 0.001 0.000 0.326 114 F C 0.718 176.369 175.800 -0.249 0.000 1.202 114 F CA 0.443 58.108 58.000 -0.558 0.000 0.929 114 F CB 1.094 39.545 39.000 -0.914 0.000 1.473 114 F HN 2.122 nan 8.300 nan 0.000 0.512 115 S N 0.827 116.164 115.700 -0.604 0.000 3.961 115 S HA -0.345 4.126 4.470 0.001 0.000 0.627 115 S C 0.763 175.270 174.600 -0.155 0.000 2.148 115 S CA 1.715 59.663 58.200 -0.419 0.000 4.099 115 S CB -2.081 60.661 63.200 -0.763 0.000 0.219 115 S HN 1.016 nan 8.310 nan 0.000 0.744 116 D N 1.598 121.919 120.400 -0.131 0.000 2.190 116 D HA -0.039 4.601 4.640 0.001 0.000 0.200 116 D C 1.908 178.162 176.300 -0.077 0.000 0.992 116 D CA 1.606 55.572 54.000 -0.056 0.000 0.854 116 D CB -0.245 40.532 40.800 -0.038 0.000 0.936 116 D HN 0.437 nan 8.370 nan 0.000 0.462 117 I N 0.731 121.218 120.570 -0.139 0.000 2.530 117 I HA -0.191 3.979 4.170 0.001 0.000 0.257 117 I C 2.001 178.033 176.117 -0.141 0.000 1.179 117 I CA 0.917 62.128 61.300 -0.148 0.000 1.440 117 I CB -1.137 36.759 38.000 -0.173 0.000 1.087 117 I HN -0.062 nan 8.210 nan 0.000 0.440 118 S N 1.018 116.669 115.700 -0.082 0.000 2.392 118 S HA -0.162 4.308 4.470 0.001 0.000 0.232 118 S C 2.282 176.860 174.600 -0.036 0.000 1.041 118 S CA 1.324 59.510 58.200 -0.024 0.000 1.026 118 S CB -0.501 62.785 63.200 0.144 0.000 0.845 118 S HN 0.327 nan 8.310 nan 0.000 0.465 119 V N 2.039 121.955 119.914 0.004 0.000 2.287 119 V HA -0.179 3.942 4.120 0.001 0.000 0.248 119 V C 2.162 178.277 176.094 0.035 0.000 1.053 119 V CA 1.608 63.934 62.300 0.043 0.000 1.027 119 V CB -0.724 31.130 31.823 0.052 0.000 0.646 119 V HN 0.464 nan 8.190 nan 0.000 0.447 120 L N -0.801 120.404 121.223 -0.029 0.000 2.093 120 L HA -0.141 4.200 4.340 0.001 0.000 0.208 120 L C 2.420 179.240 176.870 -0.084 0.000 1.085 120 L CA 1.297 56.123 54.840 -0.022 0.000 0.755 120 L CB -0.611 41.349 42.059 -0.166 0.000 0.904 120 L HN 0.320 nan 8.230 nan 0.000 0.435 121 L N -0.645 120.403 121.223 -0.292 0.000 2.012 121 L HA -0.244 4.097 4.340 0.001 0.000 0.210 121 L C 2.897 179.530 176.870 -0.396 0.000 1.073 121 L CA 1.607 56.116 54.840 -0.552 0.000 0.748 121 L CB -0.796 40.612 42.059 -1.084 0.000 0.891 121 L HN 0.279 nan 8.230 nan 0.000 0.431 122 S N -0.022 115.546 115.700 -0.221 0.000 2.370 122 S HA -0.207 4.264 4.470 0.001 0.000 0.226 122 S C 2.140 176.907 174.600 0.278 0.000 1.033 122 S CA 1.327 59.670 58.200 0.239 0.000 1.011 122 S CB -0.151 63.205 63.200 0.260 0.000 0.852 122 S HN 0.423 nan 8.310 nan 0.000 0.457 123 A N 0.346 123.319 122.820 0.255 0.000 1.933 123 A HA 0.078 4.399 4.320 0.001 0.000 0.218 123 A C 1.892 179.678 177.584 0.335 0.000 1.175 123 A CA 1.386 53.599 52.037 0.293 0.000 0.628 123 A CB -0.975 18.305 19.000 0.466 0.000 0.814 123 A HN 0.583 nan 8.150 nan 0.000 0.444 124 F N -0.501 119.571 119.950 0.204 0.000 2.102 124 F HA -0.133 4.394 4.527 0.001 0.000 0.298 124 F C 2.266 178.190 175.800 0.205 0.000 1.105 124 F CA 1.320 59.454 58.000 0.222 0.000 1.239 124 F CB -1.115 37.994 39.000 0.182 0.000 0.991 124 F HN 0.537 nan 8.300 nan 0.000 0.474 125 H N 0.081 119.339 119.070 0.313 0.000 2.319 125 H HA -0.223 4.333 4.556 0.001 0.000 0.299 125 H C 2.659 177.990 175.328 0.004 0.000 1.092 125 H CA 1.630 57.844 56.048 0.276 0.000 1.302 125 H CB -0.083 29.998 29.762 0.531 0.000 1.373 125 H HN 0.134 nan 8.280 nan 0.000 0.497 126 R N -0.138 120.172 120.500 -0.317 0.000 2.117 126 R HA -0.174 4.166 4.340 0.001 0.000 0.243 126 R C 0.984 176.825 176.300 -0.765 0.000 1.143 126 R CA 2.069 57.590 56.100 -0.964 0.000 0.968 126 R CB -0.185 29.614 30.300 -0.835 0.000 0.863 126 R HN 0.525 nan 8.270 nan 0.000 0.444 127 H N -1.596 117.186 119.070 -0.480 0.000 2.517 127 H HA 0.258 4.815 4.556 0.001 0.000 0.282 127 H C 0.730 175.929 175.328 -0.216 0.000 1.023 127 H CA 0.568 56.340 56.048 -0.460 0.000 1.169 127 H CB 1.002 30.300 29.762 -0.774 0.000 1.454 127 H HN 0.531 nan 8.280 nan 0.000 0.556 128 G N 0.777 109.564 108.800 -0.021 0.000 2.160 128 G HA2 -0.290 3.671 3.960 0.001 0.000 0.251 128 G HA3 -0.290 3.671 3.960 0.001 0.000 0.251 128 G C -0.140 174.819 174.900 0.100 0.000 1.008 128 G CA 0.074 45.212 45.100 0.063 0.000 0.724 128 G HN 0.311 nan 8.290 nan 0.000 0.514 129 L N 1.303 122.601 121.223 0.125 0.000 2.322 129 L HA 0.535 4.875 4.340 0.001 0.000 0.279 129 L C -1.487 175.558 176.870 0.291 0.000 1.036 129 L CA -2.421 52.517 54.840 0.163 0.000 0.807 129 L CB 1.750 43.803 42.059 -0.010 0.000 1.226 129 L HN -0.055 nan 8.230 nan 0.000 0.433 130 P HA 0.376 nan 4.420 nan 0.000 0.274 130 P C -1.199 176.246 177.300 0.242 0.000 1.231 130 P CA -0.249 62.975 63.100 0.207 0.000 0.790 130 P CB 1.656 33.436 31.700 0.134 0.000 0.951 131 A N 2.109 125.010 122.820 0.136 0.000 2.612 131 A HA 0.738 5.059 4.320 0.001 0.000 0.293 131 A C -1.445 176.114 177.584 -0.041 0.000 1.075 131 A CA -0.614 51.447 52.037 0.039 0.000 0.680 131 A CB 1.054 20.078 19.000 0.040 0.000 1.279 131 A HN 0.419 nan 8.150 nan 0.000 0.411 132 I N 1.800 122.272 120.570 -0.164 0.000 2.499 132 I HA 0.281 4.451 4.170 0.001 0.000 0.288 132 I C -0.661 175.243 176.117 -0.355 0.000 1.048 132 I CA -0.492 60.647 61.300 -0.269 0.000 1.062 132 I CB 2.005 39.810 38.000 -0.325 0.000 1.238 132 I HN 0.819 nan 8.210 nan 0.000 0.426 133 H N 5.811 124.472 119.070 -0.681 0.000 2.782 133 H HA 0.660 5.216 4.556 0.001 0.000 0.285 133 H C -0.439 174.440 175.328 -0.749 0.000 1.093 133 H CA 0.162 55.705 56.048 -0.841 0.000 1.410 133 H CB 0.936 29.722 29.762 -1.627 0.000 1.439 133 H HN 0.860 nan 8.280 nan 0.000 0.469 134 G N 4.715 113.157 108.800 -0.596 0.000 2.489 134 G HA2 0.189 4.149 3.960 0.001 0.000 0.305 134 G HA3 0.189 4.149 3.960 0.001 0.000 0.305 134 G C -3.207 171.468 174.900 -0.374 0.000 1.311 134 G CA -1.199 43.623 45.100 -0.462 0.000 0.813 134 G HN 0.342 nan 8.290 nan 0.000 0.480 135 P HA 0.247 nan 4.420 nan 0.000 0.266 135 P C 0.660 178.144 177.300 0.306 0.000 1.193 135 P CA -0.118 62.928 63.100 -0.090 0.000 0.770 135 P CB 0.691 32.385 31.700 -0.010 0.000 0.836 136 V N 0.275 120.396 119.914 0.345 0.000 3.133 136 V HA 0.420 4.541 4.120 0.001 0.000 0.305 136 V C 1.424 177.491 176.094 -0.046 0.000 1.084 136 V CA 0.338 62.779 62.300 0.235 0.000 1.089 136 V CB 0.128 32.005 31.823 0.089 0.000 1.073 136 V HN 0.607 nan 8.190 nan 0.000 0.477 137 A N 1.674 124.168 122.820 -0.545 0.000 1.969 137 A HA -0.066 4.254 4.320 0.001 0.000 0.218 137 A C 2.163 179.438 177.584 -0.515 0.000 1.169 137 A CA 2.023 53.401 52.037 -1.097 0.000 0.635 137 A CB -1.221 16.943 19.000 -1.393 0.000 0.810 137 A HN 1.424 nan 8.150 nan 0.000 0.445 138 T N -2.787 111.594 114.554 -0.288 0.000 3.051 138 T HA 0.052 4.403 4.350 0.001 0.000 0.269 138 T C 1.719 176.359 174.700 -0.100 0.000 1.127 138 T CA 1.214 63.211 62.100 -0.173 0.000 1.107 138 T CB -0.630 68.170 68.868 -0.113 0.000 0.898 138 T HN 0.397 nan 8.240 nan 0.000 0.517 139 G N 1.763 110.521 108.800 -0.069 0.000 2.462 139 G HA2 -0.087 3.873 3.960 0.001 0.000 0.220 139 G HA3 -0.087 3.873 3.960 0.001 0.000 0.220 139 G C 1.378 176.273 174.900 -0.007 0.000 1.121 139 G CA 0.632 45.729 45.100 -0.006 0.000 0.758 139 G HN 0.574 nan 8.290 nan 0.000 0.559 140 L N 0.251 121.445 121.223 -0.049 0.000 2.275 140 L HA 0.104 4.444 4.340 0.001 0.000 0.215 140 L C 2.546 179.406 176.870 -0.017 0.000 1.119 140 L CA 0.818 55.656 54.840 -0.003 0.000 0.790 140 L CB -0.007 42.025 42.059 -0.046 0.000 0.919 140 L HN 0.307 nan 8.230 nan 0.000 0.443 141 G N -0.786 107.985 108.800 -0.048 0.000 3.453 141 G HA2 0.328 4.288 3.960 0.001 0.000 0.263 141 G HA3 0.328 4.288 3.960 0.001 0.000 0.263 141 G C 0.430 175.315 174.900 -0.025 0.000 1.060 141 G CA -0.393 44.680 45.100 -0.045 0.000 0.793 141 G HN 0.016 nan 8.290 nan 0.000 0.532 142 L N 0.917 122.135 121.223 -0.008 0.000 2.418 142 L HA 0.344 4.685 4.340 0.001 0.000 0.265 142 L C 1.091 177.966 176.870 0.008 0.000 1.143 142 L CA -0.539 54.303 54.840 0.004 0.000 0.809 142 L CB 1.378 43.447 42.059 0.017 0.000 1.124 142 L HN 0.071 nan 8.230 nan 0.000 0.456 143 S N 2.004 117.709 115.700 0.009 0.000 2.552 143 S HA 0.139 4.609 4.470 0.001 0.000 0.289 143 S C -2.118 172.493 174.600 0.018 0.000 1.304 143 S CA -1.062 57.145 58.200 0.011 0.000 1.063 143 S CB 0.302 63.509 63.200 0.012 0.000 0.848 143 S HN 0.289 nan 8.310 nan 0.000 0.499 144 P HA 0.139 nan 4.420 nan 0.000 0.268 144 P C -0.584 176.731 177.300 0.025 0.000 1.205 144 P CA -0.194 62.920 63.100 0.024 0.000 0.771 144 P CB 0.262 31.976 31.700 0.022 0.000 0.858 145 L N 1.583 122.823 121.223 0.029 0.000 2.485 145 L HA -0.014 4.327 4.340 0.001 0.000 0.275 145 L C 1.650 178.535 176.870 0.025 0.000 1.207 145 L CA 0.247 55.105 54.840 0.029 0.000 0.855 145 L CB 0.037 42.115 42.059 0.032 0.000 1.114 145 L HN 0.460 nan 8.230 nan 0.000 0.485 146 S N 1.667 117.381 115.700 0.023 0.000 2.383 146 S HA -0.035 4.435 4.470 0.001 0.000 0.227 146 S C 0.883 175.495 174.600 0.020 0.000 1.026 146 S CA 0.784 58.996 58.200 0.020 0.000 0.981 146 S CB -0.050 63.162 63.200 0.019 0.000 0.818 146 S HN 0.742 nan 8.310 nan 0.000 0.472 147 A N 2.413 125.246 122.820 0.022 0.000 2.404 147 A HA 0.430 4.750 4.320 0.001 0.000 0.273 147 A C -1.474 176.123 177.584 0.021 0.000 1.144 147 A CA -1.422 50.627 52.037 0.020 0.000 0.806 147 A CB 0.178 19.190 19.000 0.021 0.000 1.080 147 A HN 0.101 nan 8.150 nan 0.000 0.509 148 P HA -0.198 nan 4.420 nan 0.000 0.216 148 P C 1.679 178.992 177.300 0.022 0.000 1.150 148 P CA 1.255 64.368 63.100 0.021 0.000 0.843 148 P CB 0.119 31.830 31.700 0.018 0.000 0.787 149 R N 0.109 120.620 120.500 0.019 0.000 2.115 149 R HA -0.127 4.213 4.340 0.001 0.000 0.230 149 R C 1.924 178.236 176.300 0.020 0.000 1.111 149 R CA 1.251 57.362 56.100 0.019 0.000 0.976 149 R CB -0.335 29.974 30.300 0.014 0.000 0.870 149 R HN 0.101 nan 8.270 nan 0.000 0.445 150 E N 0.468 120.680 120.200 0.021 0.000 2.072 150 E HA -0.221 4.130 4.350 0.001 0.000 0.191 150 E C 1.898 178.514 176.600 0.027 0.000 0.985 150 E CA 1.042 57.456 56.400 0.023 0.000 0.801 150 E CB -0.113 29.603 29.700 0.026 0.000 0.750 150 E HN 0.320 nan 8.360 nan 0.000 0.452 151 Q N 1.355 121.173 119.800 0.029 0.000 2.084 151 Q HA -0.172 4.169 4.340 0.001 0.000 0.202 151 Q C 1.995 178.020 176.000 0.041 0.000 0.978 151 Q CA 1.664 57.488 55.803 0.035 0.000 0.844 151 Q CB -0.105 28.653 28.738 0.034 0.000 0.898 151 Q HN 0.269 nan 8.270 nan 0.000 0.426 152 Q N -0.448 119.375 119.800 0.037 0.000 2.084 152 Q HA -0.208 4.132 4.340 0.001 0.000 0.202 152 Q C 1.912 177.936 176.000 0.039 0.000 0.978 152 Q CA 1.528 57.356 55.803 0.042 0.000 0.844 152 Q CB -0.129 28.631 28.738 0.035 0.000 0.898 152 Q HN 0.349 nan 8.270 nan 0.000 0.426 153 E N 1.092 121.309 120.200 0.028 0.000 2.072 153 E HA -0.194 4.156 4.350 0.001 0.000 0.191 153 E C 1.821 178.431 176.600 0.016 0.000 0.985 153 E CA 1.255 57.666 56.400 0.019 0.000 0.801 153 E CB -0.060 29.647 29.700 0.012 0.000 0.750 153 E HN 0.213 nan 8.360 nan 0.000 0.452 154 R N -0.005 120.508 120.500 0.022 0.000 2.091 154 R HA -0.124 4.216 4.340 0.001 0.000 0.238 154 R C 2.355 178.679 176.300 0.040 0.000 1.136 154 R CA 1.633 57.746 56.100 0.021 0.000 0.959 154 R CB -0.413 29.906 30.300 0.032 0.000 0.856 154 R HN 0.289 nan 8.270 nan 0.000 0.437 155 L N 0.342 121.605 121.223 0.068 0.000 2.046 155 L HA -0.106 4.234 4.340 0.001 0.000 0.208 155 L C 2.791 179.718 176.870 0.094 0.000 1.077 155 L CA 1.273 56.184 54.840 0.118 0.000 0.747 155 L CB -0.566 41.574 42.059 0.135 0.000 0.896 155 L HN 0.338 nan 8.230 nan 0.000 0.432 156 A N -0.633 122.218 122.820 0.051 0.000 1.933 156 A HA -0.189 4.132 4.320 0.001 0.000 0.218 156 A C 2.513 180.073 177.584 -0.039 0.000 1.175 156 A CA 2.073 54.119 52.037 0.015 0.000 0.628 156 A CB -0.566 18.443 19.000 0.015 0.000 0.814 156 A HN 0.373 nan 8.150 nan 0.000 0.444 157 S N -0.162 115.516 115.700 -0.038 0.000 2.368 157 S HA -0.084 4.387 4.470 0.001 0.000 0.225 157 S C 1.821 176.349 174.600 -0.121 0.000 1.030 157 S CA 1.438 59.590 58.200 -0.080 0.000 0.999 157 S CB -0.436 62.715 63.200 -0.081 0.000 0.844 157 S HN 0.508 nan 8.310 nan 0.000 0.459 158 L N 1.164 122.345 121.223 -0.072 0.000 2.046 158 L HA -0.108 4.232 4.340 0.001 0.000 0.208 158 L C 2.757 179.383 176.870 -0.406 0.000 1.077 158 L CA 1.185 55.979 54.840 -0.078 0.000 0.747 158 L CB -0.651 41.479 42.059 0.119 0.000 0.896 158 L HN 0.315 nan 8.230 nan 0.000 0.432 159 A N 0.004 122.554 122.820 -0.451 0.000 1.972 159 A HA -0.224 4.096 4.320 0.001 0.000 0.219 159 A C 2.505 179.706 177.584 -0.638 0.000 1.169 159 A CA 1.848 53.352 52.037 -0.888 0.000 0.635 159 A CB -0.693 18.123 19.000 -0.306 0.000 0.810 159 A HN 0.538 nan 8.150 nan 0.000 0.446 160 S N -0.528 114.949 115.700 -0.372 0.000 2.442 160 S HA -0.113 4.357 4.470 0.001 0.000 0.236 160 S C 1.784 176.182 174.600 -0.337 0.000 1.007 160 S CA 1.233 59.273 58.200 -0.265 0.000 0.965 160 S CB -0.836 62.274 63.200 -0.149 0.000 0.773 160 S HN 0.552 nan 8.310 nan 0.000 0.504 161 V N 2.698 122.325 119.914 -0.478 0.000 2.244 161 V HA -0.157 3.964 4.120 0.001 0.000 0.244 161 V C 2.839 178.612 176.094 -0.534 0.000 1.042 161 V CA 2.672 64.625 62.300 -0.578 0.000 1.006 161 V CB -0.962 30.346 31.823 -0.858 0.000 0.641 161 V HN 0.821 nan 8.190 nan 0.000 0.446 162 S N 0.274 115.618 115.700 -0.594 0.000 2.383 162 S HA -0.264 4.207 4.470 0.001 0.000 0.229 162 S C 2.045 176.507 174.600 -0.230 0.000 1.030 162 S CA 1.708 59.691 58.200 -0.361 0.000 1.002 162 S CB -0.714 62.320 63.200 -0.277 0.000 0.829 162 S HN 0.683 nan 8.310 nan 0.000 0.467 163 R N 0.226 120.580 120.500 -0.245 0.000 2.092 163 R HA 0.156 4.496 4.340 0.001 0.000 0.231 163 R C 2.347 178.574 176.300 -0.121 0.000 1.119 163 R CA 1.176 57.190 56.100 -0.143 0.000 0.970 163 R CB -0.539 29.684 30.300 -0.128 0.000 0.864 163 R HN 0.375 nan 8.270 nan 0.000 0.440 164 L N 0.860 121.993 121.223 -0.150 0.000 2.072 164 L HA -0.045 4.296 4.340 0.001 0.000 0.205 164 L C 1.848 178.648 176.870 -0.116 0.000 1.079 164 L CA 1.478 56.253 54.840 -0.108 0.000 0.752 164 L CB -0.276 41.700 42.059 -0.140 0.000 0.906 164 L HN 0.118 nan 8.230 nan 0.000 0.436 165 L N -0.370 120.754 121.223 -0.164 0.000 2.129 165 L HA -0.211 4.130 4.340 0.001 0.000 0.212 165 L C 2.397 179.227 176.870 -0.067 0.000 1.087 165 L CA 1.271 56.035 54.840 -0.128 0.000 0.757 165 L CB -0.781 41.182 42.059 -0.161 0.000 0.896 165 L HN 0.390 nan 8.230 nan 0.000 0.434 166 A N -0.846 121.938 122.820 -0.059 0.000 2.208 166 A HA 0.280 4.600 4.320 0.001 0.000 0.209 166 A C 1.760 179.342 177.584 -0.004 0.000 1.161 166 A CA 0.731 52.757 52.037 -0.020 0.000 0.782 166 A CB -0.317 18.676 19.000 -0.012 0.000 0.816 166 A HN 0.522 nan 8.150 nan 0.000 0.477 167 G N -0.088 108.703 108.800 -0.015 0.000 2.143 167 G HA2 -0.305 3.656 3.960 0.001 0.000 0.249 167 G HA3 -0.305 3.656 3.960 0.001 0.000 0.249 167 G C 0.740 175.606 174.900 -0.058 0.000 0.981 167 G CA 0.610 45.718 45.100 0.013 0.000 0.665 167 G HN 1.317 nan 8.290 nan 0.000 0.528 168 I N -3.373 117.125 120.570 -0.119 0.000 3.860 168 I HA 0.427 4.598 4.170 0.001 0.000 0.319 168 I C -0.345 175.538 176.117 -0.389 0.000 1.279 168 I CA -0.233 60.981 61.300 -0.142 0.000 1.220 168 I CB 0.294 38.283 38.000 -0.019 0.000 1.027 168 I HN -0.111 nan 8.210 nan 0.000 0.428 169 D N 0.806 120.930 120.400 -0.460 0.000 2.248 169 D HA 0.395 5.036 4.640 0.001 0.000 0.246 169 D C 0.223 176.191 176.300 -0.553 0.000 1.027 169 D CA -0.298 53.468 54.000 -0.392 0.000 0.853 169 D CB 1.135 41.899 40.800 -0.061 0.000 1.243 169 D HN 0.215 nan 8.370 nan 0.000 0.462 170 H N -0.031 118.851 119.070 -0.313 0.000 3.535 170 H HA 0.112 4.668 4.556 0.001 0.000 0.260 170 H C 0.120 174.495 175.328 -1.589 0.000 1.173 170 H CA -0.031 55.486 56.048 -0.885 0.000 1.168 170 H CB 2.092 31.578 29.762 -0.460 0.000 1.568 170 H HN 0.512 nan 8.280 nan 0.000 0.602 171 E N 1.086 120.642 120.200 -1.072 0.000 2.416 171 E HA 0.407 4.757 4.350 0.001 0.000 0.280 171 E C -1.647 174.738 176.600 -0.358 0.000 1.055 171 E CA -0.711 55.206 56.400 -0.805 0.000 0.825 171 E CB 1.827 31.285 29.700 -0.403 0.000 1.312 171 E HN 0.029 nan 8.360 nan 0.000 0.452 172 L N 0.620 121.750 121.223 -0.155 0.000 2.393 172 L HA 0.567 4.907 4.340 0.001 0.000 0.260 172 L C -2.453 174.405 176.870 -0.021 0.000 1.002 172 L CA -2.288 52.550 54.840 -0.003 0.000 0.818 172 L CB 2.820 44.950 42.059 0.119 0.000 1.369 172 L HN 0.397 nan 8.230 nan 0.000 0.412 173 P HA 0.282 nan 4.420 nan 0.000 0.278 173 P C -1.174 176.145 177.300 0.032 0.000 1.238 173 P CA -0.219 62.888 63.100 0.011 0.000 0.794 173 P CB 1.727 33.436 31.700 0.015 0.000 0.955 174 V N -0.338 119.612 119.914 0.060 0.000 3.206 174 V HA 0.622 4.742 4.120 0.001 0.000 0.305 174 V C -1.258 174.949 176.094 0.189 0.000 1.257 174 V CA -0.991 61.379 62.300 0.116 0.000 1.057 174 V CB 1.978 33.857 31.823 0.094 0.000 1.075 174 V HN 0.449 nan 8.190 nan 0.000 0.443 175 Q N 0.868 120.820 119.800 0.254 0.000 2.305 175 Q HA 0.428 4.768 4.340 0.001 0.000 0.271 175 Q C -1.103 175.048 176.000 0.251 0.000 1.046 175 Q CA -0.609 55.348 55.803 0.256 0.000 0.798 175 Q CB 2.155 31.016 28.738 0.206 0.000 1.286 175 Q HN 0.938 nan 8.270 nan 0.000 0.435 176 H N 2.494 121.535 119.070 -0.048 0.000 2.815 176 H HA 0.044 4.600 4.556 0.001 0.000 0.350 176 H C -0.471 174.642 175.328 -0.359 0.000 1.080 176 H CA 0.646 56.361 56.048 -0.554 0.000 1.433 176 H CB 1.136 30.591 29.762 -0.513 0.000 1.432 176 H HN 0.604 nan 8.280 nan 0.000 0.592 177 L N 4.040 124.647 121.223 -1.027 0.000 2.663 177 L HA 0.409 4.750 4.340 0.001 0.000 0.218 177 L C 0.490 176.954 176.870 -0.677 0.000 1.043 177 L CA 1.277 55.666 54.840 -0.751 0.000 0.876 177 L CB 0.483 42.028 42.059 -0.857 0.000 1.263 177 L HN 0.755 nan 8.230 nan 0.000 0.486 178 G N -1.650 106.621 108.800 -0.881 0.000 2.677 178 G HA2 0.539 4.499 3.960 0.001 0.000 0.291 178 G HA3 0.539 4.499 3.960 0.001 0.000 0.291 178 G C -0.373 174.325 174.900 -0.336 0.000 1.435 178 G CA -0.043 44.797 45.100 -0.434 0.000 0.826 178 G HN 0.663 nan 8.290 nan 0.000 0.491 179 G N -0.212 108.540 108.800 -0.080 0.000 2.693 179 G HA2 0.244 4.204 3.960 0.001 0.000 0.226 179 G HA3 0.244 4.204 3.960 0.001 0.000 0.226 179 G C 0.151 175.120 174.900 0.115 0.000 1.354 179 G CA 0.681 45.777 45.100 -0.007 0.000 0.873 179 G HN 2.509 nan 8.290 nan 0.000 0.562 180 H N -0.165 118.971 119.070 0.111 0.000 2.757 180 H HA 0.651 5.207 4.556 0.001 0.000 0.370 180 H C 1.111 176.483 175.328 0.072 0.000 1.172 180 H CA 0.465 56.553 56.048 0.067 0.000 1.426 180 H CB 0.657 30.442 29.762 0.039 0.000 1.438 180 H HN 0.602 nan 8.280 nan 0.000 0.612 181 K N 0.740 121.203 120.400 0.106 0.000 2.373 181 K HA 0.071 4.391 4.320 0.001 0.000 0.202 181 K C -0.091 176.607 176.600 0.163 0.000 1.025 181 K CA -0.299 55.941 56.287 -0.078 0.000 1.115 181 K CB 0.506 32.821 32.500 -0.309 0.000 0.858 181 K HN 0.566 nan 8.250 nan 0.000 0.525 182 Q N 1.347 121.400 119.800 0.421 0.000 2.394 182 Q HA 0.085 4.426 4.340 0.001 0.000 0.248 182 Q C 0.036 176.184 176.000 0.247 0.000 0.992 182 Q CA -0.030 55.912 55.803 0.231 0.000 0.888 182 Q CB 0.688 29.449 28.738 0.038 0.000 1.257 182 Q HN 0.153 nan 8.270 nan 0.000 0.462 183 R N 0.658 121.231 120.500 0.122 0.000 2.583 183 R HA 0.123 4.464 4.340 0.001 0.000 0.274 183 R C -0.947 175.412 176.300 0.100 0.000 0.998 183 R CA 0.119 56.270 56.100 0.084 0.000 1.081 183 R CB 0.282 30.603 30.300 0.035 0.000 0.940 183 R HN 0.310 nan 8.270 nan 0.000 0.413 184 V N 4.468 124.420 119.914 0.063 0.000 2.540 184 V HA 0.296 4.416 4.120 0.001 0.000 0.302 184 V C -0.470 175.618 176.094 -0.009 0.000 1.035 184 V CA -0.599 61.727 62.300 0.044 0.000 0.873 184 V CB 1.633 33.477 31.823 0.034 0.000 0.992 184 V HN 0.831 nan 8.190 nan 0.000 0.428 185 E N 2.619 122.817 120.200 -0.003 0.000 2.224 185 E HA 0.750 5.100 4.350 0.001 0.000 0.265 185 E C -0.279 176.312 176.600 -0.014 0.000 0.878 185 E CA -0.246 56.146 56.400 -0.012 0.000 0.759 185 E CB 2.052 31.751 29.700 -0.002 0.000 1.164 185 E HN 0.948 nan 8.360 nan 0.000 0.414 186 G N 1.688 110.472 108.800 -0.026 0.000 2.349 186 G HA2 0.495 4.455 3.960 0.001 0.000 0.294 186 G HA3 0.495 4.455 3.960 0.001 0.000 0.294 186 G C -1.324 173.549 174.900 -0.046 0.000 1.380 186 G CA -0.333 44.751 45.100 -0.027 0.000 0.811 186 G HN 0.628 nan 8.290 nan 0.000 0.519 187 A N -0.333 122.463 122.820 -0.040 0.000 2.477 187 A HA 0.602 4.922 4.320 0.001 0.000 0.246 187 A C 0.419 177.909 177.584 -0.157 0.000 1.078 187 A CA -0.088 51.904 52.037 -0.076 0.000 0.770 187 A CB 0.035 19.043 19.000 0.012 0.000 1.011 187 A HN 0.768 nan 8.150 nan 0.000 0.494 188 L N 3.545 124.623 121.223 -0.243 0.000 2.315 188 L HA 0.409 4.750 4.340 0.001 0.000 0.283 188 L C 0.223 176.817 176.870 -0.460 0.000 1.089 188 L CA 0.065 54.697 54.840 -0.347 0.000 0.833 188 L CB -0.075 41.779 42.059 -0.341 0.000 1.170 188 L HN 0.743 nan 8.230 nan 0.000 0.442 189 I N -0.006 120.349 120.570 -0.358 0.000 3.145 189 I HA 1.013 5.183 4.170 0.001 0.000 0.313 189 I C 0.338 176.492 176.117 0.062 0.000 1.122 189 I CA -0.419 60.721 61.300 -0.267 0.000 0.987 189 I CB 2.280 40.282 38.000 0.004 0.000 1.236 189 I HN 0.640 nan 8.210 nan 0.000 0.453 190 G N 1.065 110.109 108.800 0.407 0.000 2.460 190 G HA2 0.429 4.389 3.960 0.001 0.000 0.207 190 G HA3 0.429 4.389 3.960 0.001 0.000 0.207 190 G C 0.177 175.402 174.900 0.541 0.000 1.170 190 G CA -0.021 45.313 45.100 0.390 0.000 1.151 190 G HN 2.494 nan 8.290 nan 0.000 0.575 191 G N -0.070 108.969 108.800 0.399 0.000 2.541 191 G HA2 0.157 4.117 3.960 0.001 0.000 0.208 191 G HA3 0.157 4.117 3.960 0.001 0.000 0.208 191 G C -0.054 175.045 174.900 0.332 0.000 1.191 191 G CA 0.753 46.108 45.100 0.426 0.000 1.217 191 G HN 1.832 nan 8.290 nan 0.000 0.566 192 N N 1.502 120.392 118.700 0.317 0.000 2.442 192 N HA 0.234 4.975 4.740 0.001 0.000 0.265 192 N C 1.568 177.186 175.510 0.180 0.000 1.138 192 N CA 0.046 53.231 53.050 0.226 0.000 0.956 192 N CB 1.292 39.892 38.487 0.189 0.000 1.067 192 N HN 0.612 nan 8.380 nan 0.000 0.474 193 L N 4.933 126.261 121.223 0.174 0.000 1.989 193 L HA -0.141 4.199 4.340 0.001 0.000 0.211 193 L C 2.042 178.997 176.870 0.141 0.000 1.071 193 L CA 2.026 56.980 54.840 0.190 0.000 0.749 193 L CB -1.120 41.107 42.059 0.279 0.000 0.890 193 L HN 0.604 nan 8.230 nan 0.000 0.431 194 T N 0.077 114.698 114.554 0.112 0.000 2.708 194 T HA -0.159 4.191 4.350 0.001 0.000 0.266 194 T C 1.893 176.640 174.700 0.078 0.000 1.037 194 T CA 1.521 63.664 62.100 0.072 0.000 1.146 194 T CB -0.620 68.269 68.868 0.035 0.000 0.865 194 T HN 0.549 nan 8.240 nan 0.000 0.435 195 A N 0.993 123.866 122.820 0.089 0.000 1.933 195 A HA 0.039 4.360 4.320 0.001 0.000 0.218 195 A C 2.305 179.954 177.584 0.109 0.000 1.175 195 A CA 1.148 53.243 52.037 0.097 0.000 0.628 195 A CB -0.772 18.280 19.000 0.087 0.000 0.814 195 A HN 0.472 nan 8.150 nan 0.000 0.444 196 L N -0.886 120.410 121.223 0.123 0.000 2.056 196 L HA -0.145 4.195 4.340 0.001 0.000 0.207 196 L C 3.091 180.030 176.870 0.115 0.000 1.078 196 L CA 0.968 55.886 54.840 0.130 0.000 0.749 196 L CB -0.562 41.590 42.059 0.154 0.000 0.901 196 L HN 0.417 nan 8.230 nan 0.000 0.433 197 A N -0.040 122.845 122.820 0.107 0.000 1.940 197 A HA -0.278 4.043 4.320 0.001 0.000 0.219 197 A C 2.380 180.019 177.584 0.090 0.000 1.176 197 A CA 1.749 53.845 52.037 0.097 0.000 0.631 197 A CB -1.216 17.839 19.000 0.090 0.000 0.814 197 A HN 0.721 nan 8.150 nan 0.000 0.446 198 C N -1.917 117.435 119.300 0.086 0.000 2.511 198 C HA 0.248 4.709 4.460 0.001 0.000 0.277 198 C C 1.810 176.859 174.990 0.099 0.000 1.451 198 C CA 0.570 59.638 59.018 0.082 0.000 1.735 198 C CB -1.087 26.698 27.740 0.076 0.000 1.704 198 C HN 0.474 nan 8.230 nan 0.000 0.571 199 M N 0.847 120.509 119.600 0.103 0.000 2.313 199 M HA 0.327 4.808 4.480 0.001 0.000 0.273 199 M C 1.203 177.559 176.300 0.094 0.000 1.049 199 M CA 0.042 55.404 55.300 0.103 0.000 1.004 199 M CB -0.643 32.023 32.600 0.110 0.000 1.461 199 M HN 0.440 nan 8.290 nan 0.000 0.514 200 A N 0.432 123.307 122.820 0.091 0.000 2.531 200 A HA 0.429 4.749 4.320 0.001 0.000 0.236 200 A C 1.474 179.105 177.584 0.078 0.000 1.062 200 A CA 1.076 53.163 52.037 0.083 0.000 0.760 200 A CB -0.414 18.637 19.000 0.085 0.000 0.995 200 A HN 0.892 nan 8.150 nan 0.000 0.501 201 G N 0.849 109.690 108.800 0.069 0.000 2.179 201 G HA2 -0.117 3.843 3.960 0.001 0.000 0.260 201 G HA3 -0.117 3.843 3.960 0.001 0.000 0.260 201 G C 0.530 175.467 174.900 0.063 0.000 0.977 201 G CA 1.353 46.491 45.100 0.064 0.000 0.641 201 G HN 2.406 nan 8.290 nan 0.000 0.533 202 T N -2.559 112.036 114.554 0.069 0.000 2.888 202 T HA 0.653 5.004 4.350 0.001 0.000 0.288 202 T C 1.766 176.510 174.700 0.073 0.000 1.063 202 T CA -0.064 62.079 62.100 0.072 0.000 1.010 202 T CB 1.526 70.443 68.868 0.081 0.000 1.214 202 T HN 1.147 nan 8.240 nan 0.000 0.533 203 L N -0.821 120.449 121.223 0.078 0.000 2.261 203 L HA 0.289 4.629 4.340 0.001 0.000 0.216 203 L C 1.832 178.763 176.870 0.101 0.000 1.114 203 L CA 1.617 56.508 54.840 0.084 0.000 0.777 203 L CB -0.899 41.220 42.059 0.101 0.000 0.910 203 L HN 0.791 nan 8.230 nan 0.000 0.440 204 G N 0.184 109.050 108.800 0.109 0.000 3.141 204 G HA2 0.269 4.229 3.960 0.001 0.000 0.218 204 G HA3 0.269 4.229 3.960 0.001 0.000 0.218 204 G C 0.795 175.765 174.900 0.116 0.000 1.170 204 G CA 0.144 45.318 45.100 0.123 0.000 0.769 204 G HN 0.538 nan 8.290 nan 0.000 0.546 205 G N 0.297 109.158 108.800 0.101 0.000 2.474 205 G HA2 0.284 4.245 3.960 0.001 0.000 0.233 205 G HA3 0.284 4.245 3.960 0.001 0.000 0.233 205 G C 0.141 175.115 174.900 0.124 0.000 1.278 205 G CA -0.493 44.669 45.100 0.102 0.000 0.861 205 G HN 0.354 nan 8.290 nan 0.000 0.567 206 L N 1.144 122.448 121.223 0.136 0.000 2.578 206 L HA 0.064 4.404 4.340 0.001 0.000 0.279 206 L C 0.657 177.636 176.870 0.181 0.000 1.227 206 L CA -0.018 54.928 54.840 0.176 0.000 0.900 206 L CB 0.077 42.232 42.059 0.160 0.000 1.144 206 L HN 0.658 nan 8.230 nan 0.000 0.496 207 H N 4.986 124.116 119.070 0.099 0.000 2.878 207 H HA 0.537 5.094 4.556 0.001 0.000 0.290 207 H C -0.450 174.901 175.328 0.038 0.000 1.065 207 H CA 0.185 56.240 56.048 0.012 0.000 1.477 207 H CB 0.528 30.242 29.762 -0.080 0.000 1.484 207 H HN 0.686 nan 8.280 nan 0.000 0.504 208 A N 7.033 129.691 122.820 -0.269 0.000 3.216 208 A HA 0.332 4.653 4.320 0.001 0.000 0.321 208 A C -2.595 174.845 177.584 -0.241 0.000 1.042 208 A CA -1.381 50.541 52.037 -0.192 0.000 0.838 208 A CB -0.268 18.702 19.000 -0.050 0.000 1.136 208 A HN 0.578 nan 8.150 nan 0.000 0.483 209 P HA 0.293 nan 4.420 nan 0.000 0.268 209 P C 0.514 177.747 177.300 -0.112 0.000 1.208 209 P CA 0.126 63.090 63.100 -0.227 0.000 0.777 209 P CB 0.641 32.210 31.700 -0.218 0.000 0.875 210 A N 2.085 124.862 122.820 -0.071 0.000 2.561 210 A HA 0.382 4.702 4.320 0.001 0.000 0.234 210 A C 1.551 179.116 177.584 -0.033 0.000 1.055 210 A CA 0.818 52.830 52.037 -0.042 0.000 0.756 210 A CB -1.337 17.646 19.000 -0.028 0.000 0.986 210 A HN 0.932 nan 8.150 nan 0.000 0.505 211 G N 1.504 110.291 108.800 -0.021 0.000 2.176 211 G HA2 -0.216 3.745 3.960 0.001 0.000 0.253 211 G HA3 -0.216 3.745 3.960 0.001 0.000 0.253 211 G C 0.573 175.459 174.900 -0.024 0.000 0.979 211 G CA 0.435 45.527 45.100 -0.013 0.000 0.641 211 G HN 1.225 nan 8.290 nan 0.000 0.530 212 S N -0.144 115.534 115.700 -0.037 0.000 2.584 212 S HA 0.530 5.000 4.470 0.001 0.000 0.270 212 S C 0.611 175.170 174.600 -0.067 0.000 1.346 212 S CA 0.082 58.250 58.200 -0.053 0.000 1.018 212 S CB 0.962 64.130 63.200 -0.053 0.000 0.899 212 S HN 0.387 nan 8.310 nan 0.000 0.542 213 I N 2.536 123.041 120.570 -0.109 0.000 2.306 213 I HA 0.211 4.382 4.170 0.001 0.000 0.288 213 I C -0.630 175.382 176.117 -0.175 0.000 1.036 213 I CA -0.485 60.725 61.300 -0.150 0.000 1.221 213 I CB 0.841 38.718 38.000 -0.204 0.000 1.385 213 I HN 0.322 nan 8.210 nan 0.000 0.472 214 L N 9.176 130.329 121.223 -0.117 0.000 2.268 214 L HA 0.375 4.715 4.340 0.001 0.000 0.289 214 L C -0.278 176.525 176.870 -0.111 0.000 1.064 214 L CA -0.048 54.745 54.840 -0.079 0.000 0.824 214 L CB 0.870 42.922 42.059 -0.011 0.000 1.202 214 L HN 0.251 nan 8.230 nan 0.000 0.433 215 V N 6.829 126.640 119.914 -0.171 0.000 2.546 215 V HA 0.388 4.509 4.120 0.001 0.000 0.284 215 V C 0.242 176.334 176.094 -0.003 0.000 1.050 215 V CA -0.366 61.819 62.300 -0.192 0.000 0.981 215 V CB 1.265 32.802 31.823 -0.477 0.000 0.990 215 V HN 0.613 nan 8.190 nan 0.000 0.474 216 L N 4.950 126.188 121.223 0.025 0.000 2.408 216 L HA 0.722 5.062 4.340 0.001 0.000 0.268 216 L C -0.663 176.230 176.870 0.038 0.000 0.986 216 L CA -0.564 54.346 54.840 0.117 0.000 0.820 216 L CB 2.298 44.485 42.059 0.214 0.000 1.303 216 L HN 0.857 nan 8.230 nan 0.000 0.411 217 E N 0.904 121.054 120.200 -0.083 0.000 2.429 217 E HA 0.791 5.141 4.350 0.001 0.000 0.276 217 E C -1.725 174.564 176.600 -0.518 0.000 0.953 217 E CA -0.691 55.407 56.400 -0.503 0.000 0.787 217 E CB 2.789 32.439 29.700 -0.083 0.000 1.307 217 E HN 0.336 nan 8.360 nan 0.000 0.458 218 D N -0.405 119.513 120.400 -0.804 0.000 2.768 218 D HA 0.574 5.214 4.640 0.001 0.000 0.327 218 D C -1.785 174.405 176.300 -0.183 0.000 1.302 218 D CA -0.478 53.368 54.000 -0.256 0.000 0.897 218 D CB 2.164 42.966 40.800 0.003 0.000 1.420 218 D HN 0.383 nan 8.370 nan 0.000 0.494 219 V N -0.427 119.385 119.914 -0.169 0.000 2.969 219 V HA 0.584 4.704 4.120 0.001 0.000 0.304 219 V C 0.184 176.222 176.094 -0.094 0.000 1.192 219 V CA 0.569 62.757 62.300 -0.187 0.000 0.962 219 V CB 1.494 32.966 31.823 -0.584 0.000 1.045 219 V HN 0.964 nan 8.190 nan 0.000 0.428 220 G N 3.741 112.532 108.800 -0.016 0.000 2.221 220 G HA2 -0.135 3.825 3.960 0.001 0.000 0.265 220 G HA3 -0.135 3.825 3.960 0.001 0.000 0.265 220 G C -0.241 174.665 174.900 0.010 0.000 1.041 220 G CA 0.596 45.692 45.100 -0.007 0.000 0.807 220 G HN 0.805 nan 8.290 nan 0.000 0.502 221 E N 0.127 120.361 120.200 0.057 0.000 2.248 221 E HA 0.457 4.807 4.350 0.001 0.000 0.267 221 E C -2.452 174.204 176.600 0.094 0.000 0.877 221 E CA -1.951 54.474 56.400 0.043 0.000 0.759 221 E CB 2.471 32.196 29.700 0.042 0.000 1.182 221 E HN 0.162 nan 8.360 nan 0.000 0.418 222 P HA 0.049 nan 4.420 nan 0.000 0.272 222 P C 0.589 177.981 177.300 0.154 0.000 1.223 222 P CA -0.165 62.986 63.100 0.085 0.000 0.784 222 P CB 0.641 32.389 31.700 0.079 0.000 0.923 223 Y N 1.063 121.373 120.300 0.016 0.000 2.207 223 Y HA -0.215 4.335 4.550 0.001 0.000 0.287 223 Y C 2.578 178.459 175.900 -0.032 0.000 1.156 223 Y CA 1.367 59.464 58.100 -0.006 0.000 1.182 223 Y CB -2.057 36.419 38.460 0.028 0.000 0.979 223 Y HN 0.477 nan 8.280 nan 0.000 0.521 224 Y N -0.021 120.354 120.300 0.125 0.000 2.274 224 Y HA -0.112 4.438 4.550 0.001 0.000 0.290 224 Y C 2.510 178.419 175.900 0.015 0.000 1.145 224 Y CA 1.389 59.514 58.100 0.042 0.000 1.203 224 Y CB -0.828 37.642 38.460 0.016 0.000 0.984 224 Y HN -0.091 nan 8.280 nan 0.000 0.533 225 R N 0.780 120.785 120.500 -0.825 0.000 2.090 225 R HA -0.028 4.313 4.340 0.001 0.000 0.228 225 R C 2.067 178.230 176.300 -0.228 0.000 1.110 225 R CA 1.459 57.205 56.100 -0.591 0.000 0.973 225 R CB -0.304 29.647 30.300 -0.582 0.000 0.869 225 R HN 0.489 nan 8.270 nan 0.000 0.440 226 L N 0.308 121.440 121.223 -0.152 0.000 2.017 226 L HA -0.193 4.147 4.340 0.001 0.000 0.208 226 L C 2.569 179.310 176.870 -0.216 0.000 1.073 226 L CA 1.786 56.560 54.840 -0.110 0.000 0.745 226 L CB -0.559 41.439 42.059 -0.102 0.000 0.894 226 L HN 0.368 nan 8.230 nan 0.000 0.432 227 E N 0.522 120.582 120.200 -0.233 0.000 2.051 227 E HA -0.290 4.060 4.350 0.001 0.000 0.192 227 E C 2.367 178.885 176.600 -0.135 0.000 0.991 227 E CA 1.299 57.538 56.400 -0.269 0.000 0.799 227 E CB 0.013 29.650 29.700 -0.105 0.000 0.748 227 E HN 0.270 nan 8.360 nan 0.000 0.449 228 R N 0.046 120.516 120.500 -0.050 0.000 2.091 228 R HA -0.113 4.227 4.340 0.001 0.000 0.238 228 R C 2.364 178.698 176.300 0.057 0.000 1.136 228 R CA 1.859 57.969 56.100 0.016 0.000 0.959 228 R CB -0.160 30.142 30.300 0.004 0.000 0.856 228 R HN 0.071 nan 8.270 nan 0.000 0.437 229 S N 0.836 116.538 115.700 0.004 0.000 2.368 229 S HA -0.127 4.343 4.470 0.001 0.000 0.224 229 S C 1.680 176.306 174.600 0.043 0.000 1.029 229 S CA 1.037 59.261 58.200 0.040 0.000 0.988 229 S CB -0.265 62.956 63.200 0.035 0.000 0.838 229 S HN 0.272 nan 8.310 nan 0.000 0.462 230 L N 0.477 121.668 121.223 -0.055 0.000 2.027 230 L HA 0.015 4.355 4.340 0.001 0.000 0.206 230 L C 1.913 178.738 176.870 -0.075 0.000 1.074 230 L CA 1.615 56.379 54.840 -0.127 0.000 0.745 230 L CB -0.734 41.062 42.059 -0.439 0.000 0.898 230 L HN 0.489 nan 8.230 nan 0.000 0.433 231 W N 0.346 121.512 121.300 -0.223 0.000 2.335 231 W HA -0.295 4.366 4.660 0.001 0.000 0.311 231 W C 2.811 179.351 176.519 0.035 0.000 1.213 231 W CA 2.278 59.622 57.345 -0.002 0.000 1.274 231 W CB -0.238 29.269 29.460 0.077 0.000 1.148 231 W HN 0.372 nan 8.180 nan 0.000 0.498 232 Q N 0.007 120.055 119.800 0.413 0.000 2.030 232 Q HA -0.294 4.047 4.340 0.001 0.000 0.204 232 Q C 2.248 178.297 176.000 0.082 0.000 0.986 232 Q CA 2.247 58.221 55.803 0.285 0.000 0.843 232 Q CB -0.686 28.201 28.738 0.247 0.000 0.904 232 Q HN 0.388 nan 8.270 nan 0.000 0.420 233 L N 0.551 121.817 121.223 0.072 0.000 1.989 233 L HA -0.179 4.161 4.340 0.001 0.000 0.211 233 L C 2.155 179.024 176.870 -0.000 0.000 1.071 233 L CA 1.713 56.583 54.840 0.049 0.000 0.749 233 L CB -0.536 41.568 42.059 0.074 0.000 0.890 233 L HN 0.352 nan 8.230 nan 0.000 0.431 234 L N -0.868 120.334 121.223 -0.035 0.000 2.056 234 L HA -0.177 4.164 4.340 0.001 0.000 0.207 234 L C 2.551 179.330 176.870 -0.151 0.000 1.078 234 L CA 1.299 56.099 54.840 -0.067 0.000 0.749 234 L CB -0.641 41.393 42.059 -0.041 0.000 0.901 234 L HN 0.303 nan 8.230 nan 0.000 0.433 235 E N 0.400 120.421 120.200 -0.299 0.000 2.153 235 E HA -0.189 4.161 4.350 0.001 0.000 0.194 235 E C 2.242 178.738 176.600 -0.172 0.000 0.988 235 E CA 1.417 57.595 56.400 -0.370 0.000 0.811 235 E CB -0.051 29.172 29.700 -0.794 0.000 0.746 235 E HN 0.456 nan 8.360 nan 0.000 0.466 236 S N -0.409 115.237 115.700 -0.090 0.000 2.489 236 S HA 0.024 4.494 4.470 0.001 0.000 0.228 236 S C 1.196 175.787 174.600 -0.016 0.000 0.995 236 S CA 0.276 58.461 58.200 -0.025 0.000 0.934 236 S CB -0.677 62.535 63.200 0.020 0.000 0.771 236 S HN 0.394 nan 8.310 nan 0.000 0.522 237 I N -1.699 118.856 120.570 -0.025 0.000 3.474 237 I HA 0.583 4.753 4.170 0.001 0.000 0.294 237 I C -0.628 175.470 176.117 -0.032 0.000 1.185 237 I CA -1.006 60.284 61.300 -0.016 0.000 1.003 237 I CB 0.769 38.768 38.000 -0.003 0.000 1.327 237 I HN -0.227 nan 8.210 nan 0.000 0.541 238 D N 1.550 121.934 120.400 -0.028 0.000 2.563 238 D HA 0.399 5.040 4.640 0.001 0.000 0.222 238 D C 0.905 177.189 176.300 -0.027 0.000 1.145 238 D CA -0.039 53.943 54.000 -0.030 0.000 1.001 238 D CB 0.978 41.762 40.800 -0.026 0.000 1.049 238 D HN 0.674 nan 8.370 nan 0.000 0.515 239 A N 3.575 126.376 122.820 -0.032 0.000 1.930 239 A HA -0.138 4.183 4.320 0.001 0.000 0.217 239 A C 2.105 179.683 177.584 -0.010 0.000 1.175 239 A CA 0.814 52.839 52.037 -0.020 0.000 0.627 239 A CB -0.103 18.882 19.000 -0.026 0.000 0.815 239 A HN 0.442 nan 8.150 nan 0.000 0.443 240 R N -0.601 119.891 120.500 -0.014 0.000 2.241 240 R HA -0.071 4.269 4.340 0.001 0.000 0.224 240 R C 1.403 177.704 176.300 0.002 0.000 1.101 240 R CA 1.009 57.107 56.100 -0.004 0.000 0.995 240 R CB -0.041 30.253 30.300 -0.009 0.000 0.870 240 R HN 0.515 nan 8.270 nan 0.000 0.463 241 Q N 0.227 120.024 119.800 -0.005 0.000 2.403 241 Q HA 0.112 4.453 4.340 0.001 0.000 0.203 241 Q C 0.473 176.471 176.000 -0.003 0.000 0.932 241 Q CA 0.227 56.027 55.803 -0.005 0.000 0.945 241 Q CB 0.256 28.986 28.738 -0.015 0.000 1.045 241 Q HN 0.337 nan 8.270 nan 0.000 0.511 242 L N -0.115 121.107 121.223 -0.001 0.000 2.483 242 L HA 0.020 4.361 4.340 0.001 0.000 0.276 242 L C 1.718 178.597 176.870 0.015 0.000 1.213 242 L CA 0.132 54.971 54.840 -0.002 0.000 0.843 242 L CB 0.404 42.464 42.059 0.000 0.000 1.107 242 L HN 0.144 nan 8.230 nan 0.000 0.487 243 G N 1.534 110.338 108.800 0.006 0.000 2.396 243 G HA2 0.294 4.254 3.960 0.001 0.000 0.214 243 G HA3 0.294 4.254 3.960 0.001 0.000 0.214 243 G C 0.333 175.251 174.900 0.031 0.000 1.166 243 G CA 0.883 46.000 45.100 0.028 0.000 0.793 243 G HN 0.777 nan 8.290 nan 0.000 0.533 244 A N -1.365 121.451 122.820 -0.006 0.000 2.586 244 A HA 0.661 4.981 4.320 0.001 0.000 0.291 244 A C -1.740 175.832 177.584 -0.020 0.000 1.062 244 A CA -0.679 51.356 52.037 -0.004 0.000 0.666 244 A CB 0.640 19.624 19.000 -0.028 0.000 1.281 244 A HN 0.140 nan 8.150 nan 0.000 0.421 245 I N 0.168 120.739 120.570 0.002 0.000 2.433 245 I HA 0.455 4.626 4.170 0.001 0.000 0.292 245 I C -0.842 175.265 176.117 -0.016 0.000 1.001 245 I CA -0.426 60.864 61.300 -0.016 0.000 1.119 245 I CB 1.817 39.822 38.000 0.007 0.000 1.289 245 I HN 0.552 nan 8.210 nan 0.000 0.438 246 C N 7.097 126.355 119.300 -0.070 0.000 2.321 246 C HA 0.467 4.928 4.460 0.001 0.000 0.323 246 C C 0.133 175.078 174.990 -0.075 0.000 1.191 246 C CA -0.729 58.248 59.018 -0.069 0.000 1.455 246 C CB 0.285 27.918 27.740 -0.178 0.000 2.083 246 C HN 0.558 nan 8.230 nan 0.000 0.442 247 L N 3.891 125.087 121.223 -0.045 0.000 2.319 247 L HA 0.457 4.797 4.340 0.001 0.000 0.280 247 L C 1.189 178.097 176.870 0.063 0.000 1.099 247 L CA 0.279 55.116 54.840 -0.005 0.000 0.828 247 L CB 0.560 42.568 42.059 -0.086 0.000 1.150 247 L HN 0.850 nan 8.230 nan 0.000 0.442 248 G N 1.937 110.777 108.800 0.066 0.000 2.582 248 G HA2 0.306 4.266 3.960 0.001 0.000 0.232 248 G HA3 0.306 4.266 3.960 0.001 0.000 0.232 248 G C -0.002 174.964 174.900 0.110 0.000 1.458 248 G CA -0.249 44.891 45.100 0.066 0.000 1.062 248 G HN 0.642 nan 8.290 nan 0.000 0.566 249 S N -1.518 114.208 115.700 0.044 0.000 2.632 249 S HA 0.595 5.065 4.470 0.001 0.000 0.271 249 S C -1.036 173.480 174.600 -0.140 0.000 1.260 249 S CA -0.478 57.777 58.200 0.091 0.000 1.010 249 S CB 1.162 64.420 63.200 0.097 0.000 0.965 249 S HN 0.280 nan 8.310 nan 0.000 0.534 250 F N 0.730 120.756 119.950 0.126 0.000 2.552 250 F HA 0.345 4.873 4.527 0.001 0.000 0.369 250 F C 0.390 176.272 175.800 0.135 0.000 1.112 250 F CA -0.502 57.577 58.000 0.132 0.000 1.129 250 F CB 1.529 40.604 39.000 0.124 0.000 1.360 250 F HN 0.553 nan 8.300 nan 0.000 0.473 251 T N 0.864 115.517 114.554 0.166 0.000 2.902 251 T HA 0.207 4.557 4.350 0.001 0.000 0.283 251 T C -0.026 174.748 174.700 0.124 0.000 1.009 251 T CA -0.470 61.719 62.100 0.148 0.000 1.051 251 T CB 1.214 70.162 68.868 0.134 0.000 0.999 251 T HN 0.570 nan 8.240 nan 0.000 0.474 252 D N 0.733 121.204 120.400 0.117 0.000 2.708 252 D HA -0.173 4.467 4.640 0.001 0.000 0.236 252 D C -0.491 175.878 176.300 0.115 0.000 1.146 252 D CA 0.297 54.354 54.000 0.094 0.000 0.662 252 D CB -1.333 39.502 40.800 0.059 0.000 1.059 252 D HN 0.589 nan 8.370 nan 0.000 0.428 253 C N 1.834 121.242 119.300 0.181 0.000 3.094 253 C HA 0.361 4.822 4.460 0.001 0.000 0.262 253 C C -1.844 173.299 174.990 0.255 0.000 1.459 253 C CA -1.303 57.866 59.018 0.250 0.000 1.570 253 C CB -0.417 27.547 27.740 0.373 0.000 2.056 253 C HN 0.317 nan 8.230 nan 0.000 0.499 254 P HA 0.040 nan 4.420 nan 0.000 0.266 254 P C 0.720 177.920 177.300 -0.167 0.000 1.195 254 P CA 0.372 63.493 63.100 0.035 0.000 0.768 254 P CB 0.955 32.661 31.700 0.011 0.000 0.838 255 R N 2.594 122.936 120.500 -0.264 0.000 2.120 255 R HA -0.147 4.194 4.340 0.001 0.000 0.234 255 R C 0.918 176.954 176.300 -0.440 0.000 1.123 255 R CA 1.284 56.977 56.100 -0.678 0.000 0.975 255 R CB -0.086 30.050 30.300 -0.272 0.000 0.866 255 R HN 0.468 nan 8.270 nan 0.000 0.446 256 K N -1.294 118.981 120.400 -0.208 0.000 1.779 256 K HA -0.337 3.984 4.320 0.001 0.000 0.128 256 K C 0.790 177.325 176.600 -0.109 0.000 1.288 256 K CA 2.135 58.346 56.287 -0.126 0.000 0.398 256 K CB -0.981 31.452 32.500 -0.111 0.000 0.609 256 K HN 0.275 nan 8.250 nan 0.000 0.874 257 E N 1.403 121.546 120.200 -0.095 0.000 2.463 257 E HA 0.136 4.487 4.350 0.001 0.000 0.193 257 E C -0.558 176.000 176.600 -0.070 0.000 1.041 257 E CA -0.110 56.250 56.400 -0.067 0.000 0.879 257 E CB 0.537 30.208 29.700 -0.049 0.000 0.997 257 E HN 0.277 nan 8.360 nan 0.000 0.478 258 V N 1.549 121.397 119.914 -0.109 0.000 2.673 258 V HA -0.002 4.119 4.120 0.001 0.000 0.303 258 V C 1.423 177.509 176.094 -0.014 0.000 1.046 258 V CA 0.685 62.943 62.300 -0.070 0.000 1.126 258 V CB 1.123 32.896 31.823 -0.083 0.000 0.934 258 V HN 0.401 nan 8.190 nan 0.000 0.487 259 A N 3.875 126.667 122.820 -0.046 0.000 2.066 259 A HA -0.019 4.301 4.320 0.001 0.000 0.218 259 A C 0.894 178.569 177.584 0.152 0.000 1.157 259 A CA 0.826 52.853 52.037 -0.017 0.000 0.670 259 A CB -0.433 18.489 19.000 -0.130 0.000 0.804 259 A HN 0.925 nan 8.150 nan 0.000 0.453 260 H N -0.148 118.981 119.070 0.098 0.000 2.457 260 H HA 0.405 4.961 4.556 0.001 0.000 0.335 260 H C 0.342 175.783 175.328 0.189 0.000 1.115 260 H CA -0.424 55.691 56.048 0.112 0.000 1.219 260 H CB 1.464 31.282 29.762 0.093 0.000 1.471 260 H HN 0.388 nan 8.280 nan 0.000 0.491 261 S N 2.085 117.947 115.700 0.268 0.000 2.596 261 S HA -0.037 4.433 4.470 0.001 0.000 0.260 261 S C 1.256 175.935 174.600 0.133 0.000 1.336 261 S CA -0.669 57.681 58.200 0.250 0.000 0.993 261 S CB 0.910 64.199 63.200 0.148 0.000 0.923 261 S HN 0.512 nan 8.310 nan 0.000 0.567 262 L N 1.110 122.326 121.223 -0.012 0.000 2.083 262 L HA -0.010 4.330 4.340 0.001 0.000 0.209 262 L C 2.530 179.379 176.870 -0.035 0.000 1.083 262 L CA 1.849 56.514 54.840 -0.293 0.000 0.752 262 L CB -1.197 40.596 42.059 -0.443 0.000 0.899 262 L HN 0.895 nan 8.230 nan 0.000 0.433 263 E N -1.192 119.007 120.200 -0.001 0.000 2.106 263 E HA -0.263 4.088 4.350 0.001 0.000 0.192 263 E C 2.202 178.792 176.600 -0.016 0.000 0.984 263 E CA 0.836 57.226 56.400 -0.017 0.000 0.806 263 E CB -0.094 29.561 29.700 -0.075 0.000 0.750 263 E HN 0.260 nan 8.360 nan 0.000 0.458 264 R N 1.438 121.928 120.500 -0.017 0.000 2.081 264 R HA -0.112 4.229 4.340 0.001 0.000 0.235 264 R C 1.889 178.168 176.300 -0.036 0.000 1.131 264 R CA 1.317 57.382 56.100 -0.057 0.000 0.960 264 R CB -0.412 29.836 30.300 -0.087 0.000 0.856 264 R HN 0.165 nan 8.270 nan 0.000 0.436 265 I N -0.728 119.840 120.570 -0.002 0.000 2.193 265 I HA -0.176 3.995 4.170 0.001 0.000 0.240 265 I C 1.857 177.995 176.117 0.034 0.000 1.084 265 I CA 1.229 62.537 61.300 0.014 0.000 1.365 265 I CB -0.353 37.588 38.000 -0.099 0.000 1.064 265 I HN 0.064 nan 8.210 nan 0.000 0.410 266 F N 1.165 121.078 119.950 -0.062 0.000 2.134 266 F HA -0.158 4.370 4.527 0.001 0.000 0.299 266 F C 2.585 178.377 175.800 -0.013 0.000 1.097 266 F CA 1.533 59.494 58.000 -0.065 0.000 1.264 266 F CB -0.878 38.012 39.000 -0.183 0.000 1.001 266 F HN 0.051 nan 8.300 nan 0.000 0.479 267 G N -0.706 108.163 108.800 0.114 0.000 2.442 267 G HA2 -0.302 3.658 3.960 0.001 0.000 0.219 267 G HA3 -0.302 3.658 3.960 0.001 0.000 0.219 267 G C 1.492 176.402 174.900 0.018 0.000 1.141 267 G CA 0.966 46.073 45.100 0.012 0.000 0.763 267 G HN 0.418 nan 8.290 nan 0.000 0.554 268 E N -0.627 119.590 120.200 0.028 0.000 2.051 268 E HA -0.182 4.168 4.350 0.001 0.000 0.192 268 E C 2.134 178.710 176.600 -0.040 0.000 0.991 268 E CA 0.876 57.259 56.400 -0.027 0.000 0.799 268 E CB -0.261 29.413 29.700 -0.044 0.000 0.748 268 E HN 0.552 nan 8.360 nan 0.000 0.449 269 Y N 0.325 120.615 120.300 -0.017 0.000 2.200 269 Y HA -0.135 4.416 4.550 0.001 0.000 0.290 269 Y C 2.420 178.318 175.900 -0.003 0.000 1.137 269 Y CA 1.351 59.447 58.100 -0.006 0.000 1.163 269 Y CB -0.516 37.937 38.460 -0.012 0.000 0.988 269 Y HN 0.190 nan 8.280 nan 0.000 0.518 270 A N -0.125 122.786 122.820 0.152 0.000 1.902 270 A HA -0.124 4.196 4.320 0.001 0.000 0.217 270 A C 2.410 180.005 177.584 0.018 0.000 1.181 270 A CA 1.749 53.829 52.037 0.071 0.000 0.623 270 A CB -1.218 17.804 19.000 0.037 0.000 0.818 270 A HN 0.402 nan 8.150 nan 0.000 0.443 271 A N -0.208 122.610 122.820 -0.004 0.000 1.930 271 A HA 0.203 4.524 4.320 0.001 0.000 0.217 271 A C 2.425 179.994 177.584 -0.024 0.000 1.175 271 A CA 1.843 53.868 52.037 -0.021 0.000 0.627 271 A CB -0.858 18.121 19.000 -0.035 0.000 0.815 271 A HN 1.045 nan 8.150 nan 0.000 0.443 272 A N 0.338 123.132 122.820 -0.042 0.000 2.015 272 A HA 0.017 4.337 4.320 0.001 0.000 0.219 272 A C 1.899 179.463 177.584 -0.034 0.000 1.163 272 A CA 1.346 53.349 52.037 -0.057 0.000 0.646 272 A CB -0.684 18.248 19.000 -0.113 0.000 0.806 272 A HN 0.977 nan 8.150 nan 0.000 0.448 273 I N -4.714 115.847 120.570 -0.014 0.000 3.956 273 I HA 0.261 4.431 4.170 0.001 0.000 0.333 273 I C -0.121 176.002 176.117 0.010 0.000 1.302 273 I CA 0.248 61.546 61.300 -0.004 0.000 1.122 273 I CB -0.333 37.669 38.000 0.003 0.000 1.013 273 I HN 0.217 nan 8.210 nan 0.000 0.405 274 E N 1.086 121.294 120.200 0.013 0.000 2.297 274 E HA -0.142 4.208 4.350 0.001 0.000 0.228 274 E C -0.738 175.895 176.600 0.054 0.000 1.213 274 E CA 0.085 56.505 56.400 0.034 0.000 0.712 274 E CB -1.370 28.353 29.700 0.037 0.000 1.202 274 E HN 0.413 nan 8.360 nan 0.000 0.376 275 V N 1.251 121.184 119.914 0.031 0.000 2.448 275 V HA 0.355 4.475 4.120 0.001 0.000 0.295 275 V C -1.624 174.454 176.094 -0.027 0.000 1.025 275 V CA -1.684 60.631 62.300 0.024 0.000 0.859 275 V CB 1.685 33.523 31.823 0.025 0.000 0.988 275 V HN 0.071 nan 8.190 nan 0.000 0.431 276 P HA 0.193 nan 4.420 nan 0.000 0.269 276 P C -1.001 176.247 177.300 -0.087 0.000 1.215 276 P CA -0.270 62.728 63.100 -0.171 0.000 0.780 276 P CB 1.373 32.871 31.700 -0.337 0.000 0.898 277 L N 3.693 124.773 121.223 -0.238 0.000 2.356 277 L HA 0.491 4.832 4.340 0.001 0.000 0.277 277 L C -1.192 175.426 176.870 -0.420 0.000 0.996 277 L CA -0.865 53.844 54.840 -0.217 0.000 0.822 277 L CB 1.000 42.916 42.059 -0.237 0.000 1.256 277 L HN 0.267 nan 8.230 nan 0.000 0.413 278 Y N 3.276 123.429 120.300 -0.246 0.000 2.587 278 Y HA 0.681 5.231 4.550 0.001 0.000 0.337 278 Y C 0.019 175.867 175.900 -0.087 0.000 1.065 278 Y CA -0.440 57.561 58.100 -0.165 0.000 1.126 278 Y CB 1.848 40.258 38.460 -0.083 0.000 1.279 278 Y HN 0.796 nan 8.280 nan 0.000 0.489 279 H N -3.239 115.788 119.070 -0.072 0.000 2.947 279 H HA 0.462 5.018 4.556 0.001 0.000 0.290 279 H C -0.948 174.348 175.328 -0.053 0.000 1.430 279 H CA -1.068 54.889 56.048 -0.152 0.000 1.189 279 H CB 1.386 30.945 29.762 -0.338 0.000 1.875 279 H HN 0.864 nan 8.280 nan 0.000 0.568 280 H N -1.382 117.623 119.070 -0.108 0.000 2.936 280 H HA -0.165 4.392 4.556 0.001 0.000 0.276 280 H C -0.527 174.773 175.328 -0.047 0.000 1.216 280 H CA 0.212 56.164 56.048 -0.160 0.000 1.132 280 H CB -1.031 28.545 29.762 -0.310 0.000 1.303 280 H HN 0.405 nan 8.280 nan 0.000 0.370 281 L N 3.315 124.591 121.223 0.089 0.000 2.455 281 L HA 0.151 4.491 4.340 0.001 0.000 0.272 281 L C -1.608 175.300 176.870 0.063 0.000 1.174 281 L CA -1.109 53.757 54.840 0.044 0.000 0.869 281 L CB 0.517 42.558 42.059 -0.029 0.000 1.130 281 L HN -0.092 nan 8.230 nan 0.000 0.474 282 P HA 0.099 nan 4.420 nan 0.000 0.225 282 P C -1.002 176.350 177.300 0.086 0.000 1.813 282 P CA -0.078 63.058 63.100 0.061 0.000 1.013 282 P CB 0.314 32.040 31.700 0.044 0.000 1.961 283 S N 0.907 116.669 115.700 0.104 0.000 2.575 283 S HA 0.789 5.260 4.470 0.001 0.000 0.278 283 S C -0.291 174.387 174.600 0.129 0.000 1.139 283 S CA 0.045 58.342 58.200 0.163 0.000 0.954 283 S CB 1.229 64.625 63.200 0.327 0.000 1.054 283 S HN 0.541 nan 8.310 nan 0.000 0.483 284 G N 3.305 112.150 108.800 0.075 0.000 2.332 284 G HA2 0.089 4.050 3.960 0.001 0.000 0.265 284 G HA3 0.089 4.050 3.960 0.001 0.000 0.265 284 G C -0.651 174.277 174.900 0.047 0.000 1.329 284 G CA -0.511 44.671 45.100 0.137 0.000 0.949 284 G HN 0.682 nan 8.290 nan 0.000 0.476 285 H N 0.158 119.336 119.070 0.180 0.000 2.539 285 H HA 0.388 4.944 4.556 0.001 0.000 0.267 285 H C 1.746 177.143 175.328 0.115 0.000 0.982 285 H CA 1.182 57.369 56.048 0.231 0.000 1.146 285 H CB 0.338 30.223 29.762 0.204 0.000 1.382 285 H HN 0.668 nan 8.280 nan 0.000 0.577 286 G N -0.649 108.242 108.800 0.152 0.000 2.509 286 G HA2 0.337 4.298 3.960 0.001 0.000 0.269 286 G HA3 0.337 4.298 3.960 0.001 0.000 0.269 286 G C 1.257 176.182 174.900 0.043 0.000 1.416 286 G CA -0.001 45.157 45.100 0.097 0.000 1.052 286 G HN 0.338 nan 8.290 nan 0.000 0.542 287 A N -1.292 121.549 122.820 0.034 0.000 1.933 287 A HA 0.022 4.342 4.320 0.001 0.000 0.218 287 A C 1.553 179.132 177.584 -0.009 0.000 1.175 287 A CA 1.053 53.099 52.037 0.014 0.000 0.628 287 A CB -0.469 18.544 19.000 0.021 0.000 0.814 287 A HN 0.572 nan 8.150 nan 0.000 0.444 288 Q N 0.219 120.017 119.800 -0.003 0.000 2.344 288 Q HA 0.246 4.587 4.340 0.001 0.000 0.253 288 Q C -0.936 175.041 176.000 -0.038 0.000 1.050 288 Q CA -0.145 55.651 55.803 -0.010 0.000 0.912 288 Q CB 0.200 28.943 28.738 0.008 0.000 1.258 288 Q HN 0.408 nan 8.270 nan 0.000 0.443 289 N N 2.595 121.246 118.700 -0.081 0.000 2.697 289 N HA 0.071 4.812 4.740 0.001 0.000 0.253 289 N C -1.440 173.996 175.510 -0.123 0.000 1.604 289 N CA -0.327 52.627 53.050 -0.161 0.000 0.772 289 N CB 0.478 38.726 38.487 -0.399 0.000 1.267 289 N HN 0.265 nan 8.380 nan 0.000 0.510 290 R N 0.570 121.066 120.500 -0.007 0.000 2.438 290 R HA 0.452 4.792 4.340 0.001 0.000 0.287 290 R C 0.284 176.617 176.300 0.054 0.000 1.077 290 R CA -0.368 55.745 56.100 0.022 0.000 1.034 290 R CB 0.205 30.558 30.300 0.088 0.000 0.993 290 R HN 0.427 nan 8.270 nan 0.000 0.459 291 A N 4.611 127.405 122.820 -0.044 0.000 2.445 291 A HA 0.356 4.677 4.320 0.001 0.000 0.242 291 A C -0.240 177.346 177.584 0.002 0.000 1.075 291 A CA -0.247 51.707 52.037 -0.137 0.000 0.777 291 A CB 0.258 19.123 19.000 -0.226 0.000 1.013 291 A HN 0.762 nan 8.150 nan 0.000 0.493 292 W N 0.730 121.919 121.300 -0.186 0.000 3.033 292 W HA 0.572 5.232 4.660 0.001 0.000 0.336 292 W C -3.231 172.988 176.519 -0.500 0.000 1.173 292 W CA -2.768 54.284 57.345 -0.489 0.000 1.185 292 W CB 1.247 30.483 29.460 -0.373 0.000 1.425 292 W HN 0.428 nan 8.180 nan 0.000 0.536 293 P HA 0.084 nan 4.420 nan 0.000 0.281 293 P C -1.170 176.072 177.300 -0.095 0.000 1.286 293 P CA 0.256 63.136 63.100 -0.368 0.000 0.772 293 P CB 0.748 32.089 31.700 -0.598 0.000 0.862 294 Y N 3.302 123.522 120.300 -0.133 0.000 2.359 294 Y HA 0.374 4.924 4.550 0.001 0.000 0.334 294 Y C 1.620 177.445 175.900 -0.125 0.000 1.058 294 Y CA 1.606 59.691 58.100 -0.026 0.000 1.244 294 Y CB 0.317 38.710 38.460 -0.112 0.000 1.187 294 Y HN 0.815 nan 8.280 nan 0.000 0.510 295 G N 4.093 112.523 108.800 -0.617 0.000 2.176 295 G HA2 -0.329 3.631 3.960 0.001 0.000 0.253 295 G HA3 -0.329 3.631 3.960 0.001 0.000 0.253 295 G C 0.177 174.824 174.900 -0.421 0.000 0.979 295 G CA 0.242 44.787 45.100 -0.925 0.000 0.641 295 G HN 0.688 nan 8.290 nan 0.000 0.530 296 K N 1.227 121.487 120.400 -0.233 0.000 2.218 296 K HA 0.520 4.840 4.320 0.001 0.000 0.276 296 K C 0.470 177.024 176.600 -0.076 0.000 1.022 296 K CA -0.070 56.150 56.287 -0.111 0.000 0.946 296 K CB 0.402 32.834 32.500 -0.113 0.000 1.000 296 K HN 0.031 nan 8.250 nan 0.000 0.468 297 T N 2.290 116.838 114.554 -0.010 0.000 2.902 297 T HA 0.297 4.648 4.350 0.001 0.000 0.301 297 T C -0.354 174.379 174.700 0.055 0.000 1.012 297 T CA -0.021 62.087 62.100 0.012 0.000 1.151 297 T CB 0.865 69.752 68.868 0.032 0.000 0.946 297 T HN 0.665 nan 8.240 nan 0.000 0.542 298 A N 2.831 125.671 122.820 0.032 0.000 2.532 298 A HA 0.800 5.121 4.320 0.001 0.000 0.290 298 A C -1.045 176.545 177.584 0.010 0.000 1.143 298 A CA -0.731 51.350 52.037 0.075 0.000 0.728 298 A CB 1.624 20.675 19.000 0.086 0.000 1.317 298 A HN 0.619 nan 8.150 nan 0.000 0.414 299 V N 1.101 121.017 119.914 0.003 0.000 2.444 299 V HA 0.496 4.617 4.120 0.001 0.000 0.294 299 V C -1.035 175.010 176.094 -0.081 0.000 1.022 299 V CA -0.397 61.882 62.300 -0.036 0.000 0.850 299 V CB 1.217 33.025 31.823 -0.024 0.000 0.992 299 V HN 0.756 nan 8.190 nan 0.000 0.426 300 L N 4.795 125.942 121.223 -0.127 0.000 2.305 300 L HA 0.769 5.109 4.340 0.001 0.000 0.284 300 L C -0.438 176.343 176.870 -0.149 0.000 1.013 300 L CA 0.373 55.074 54.840 -0.232 0.000 0.819 300 L CB 1.137 42.959 42.059 -0.395 0.000 1.227 300 L HN 0.871 nan 8.230 nan 0.000 0.417 301 E N 3.501 123.648 120.200 -0.090 0.000 2.381 301 E HA 0.505 4.856 4.350 0.001 0.000 0.286 301 E C 0.166 176.804 176.600 0.064 0.000 0.960 301 E CA 0.039 56.454 56.400 0.024 0.000 0.793 301 E CB 1.139 30.843 29.700 0.006 0.000 1.225 301 E HN 0.899 nan 8.360 nan 0.000 0.420 302 G N 4.184 113.058 108.800 0.123 0.000 2.574 302 G HA2 -0.384 3.577 3.960 0.001 0.000 0.301 302 G HA3 -0.384 3.577 3.960 0.001 0.000 0.301 302 G C 0.291 175.287 174.900 0.161 0.000 1.166 302 G CA 0.781 45.944 45.100 0.104 0.000 0.971 302 G HN 0.870 nan 8.290 nan 0.000 0.542 303 N N 0.805 119.563 118.700 0.096 0.000 2.282 303 N HA 0.317 5.058 4.740 0.001 0.000 0.240 303 N C 0.364 175.903 175.510 0.048 0.000 1.182 303 N CA 0.030 53.140 53.050 0.099 0.000 0.874 303 N CB 0.525 39.054 38.487 0.071 0.000 1.126 303 N HN 0.586 nan 8.380 nan 0.000 0.516 304 R N 0.282 120.789 120.500 0.011 0.000 2.725 304 R HA 0.408 4.749 4.340 0.001 0.000 0.277 304 R C -1.498 174.750 176.300 -0.087 0.000 0.987 304 R CA -0.802 55.272 56.100 -0.042 0.000 0.901 304 R CB 2.031 32.294 30.300 -0.061 0.000 1.207 304 R HN 0.172 nan 8.270 nan 0.000 0.463 305 L N 3.529 124.692 121.223 -0.100 0.000 2.298 305 L HA 0.524 4.865 4.340 0.001 0.000 0.284 305 L C -0.296 176.512 176.870 -0.103 0.000 1.013 305 L CA -0.203 54.578 54.840 -0.099 0.000 0.824 305 L CB 0.635 42.643 42.059 -0.085 0.000 1.221 305 L HN 0.625 nan 8.230 nan 0.000 0.418 306 R N 3.510 123.954 120.500 -0.093 0.000 2.750 306 R HA 0.828 5.168 4.340 0.001 0.000 0.281 306 R C -1.839 174.454 176.300 -0.012 0.000 0.972 306 R CA -0.812 55.157 56.100 -0.218 0.000 0.912 306 R CB 1.294 31.462 30.300 -0.219 0.000 1.187 306 R HN 0.657 nan 8.270 nan 0.000 0.464 307 W N 0.579 121.889 121.300 0.015 0.000 2.975 307 W HA 0.789 5.449 4.660 0.001 0.000 0.342 307 W C -0.680 175.874 176.519 0.058 0.000 1.168 307 W CA -1.272 56.085 57.345 0.020 0.000 1.141 307 W CB 0.497 29.967 29.460 0.018 0.000 1.445 307 W HN 0.820 nan 8.180 nan 0.000 0.560 308 G N 0.666 109.653 108.800 0.310 0.000 2.557 308 G HA2 0.473 4.433 3.960 0.001 0.000 0.292 308 G HA3 0.473 4.433 3.960 0.001 0.000 0.292 308 G C -0.442 174.635 174.900 0.295 0.000 1.237 308 G CA -0.797 44.425 45.100 0.204 0.000 0.978 308 G HN 0.625 nan 8.290 nan 0.000 0.498 309 S N 0.000 115.820 115.700 0.200 0.000 2.498 309 S HA 0.000 4.470 4.470 0.001 0.000 0.327 309 S CA 0.000 58.321 58.200 0.201 0.000 1.107 309 S CB 0.000 63.281 63.200 0.136 0.000 0.593 309 S HN 0.000 nan 8.310 nan 0.000 0.517