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 1wog_1_E DATA FIRST_RESID 3 DATA SEQUENCE GPAHLPYGGI PTFARAPLVQ PDGDWQADVA ALGVPFDIAL GFRPGARFAP DATA SEQUENCE RALREASLRS VPPFTGLDGK TRLQGVTFAD AGDVILPSLE PQLAHDRITE DATA SEQUENCE AARQVRGRCR VPVFLGGDHS VSYPLLRAFA DVPDLHVVQL DAHLDFTDTR DATA SEQUENCE NDTKWSNSSP FRRACEALPN LVHITTVGLR GLRFDPEAVA AARARGHTII DATA SEQUENCE PMDDVTADLA GVLAQLPRGQ NVYFSVDVDG FDPAVIPGTS SPEPDGLTYA DATA SEQUENCE QGMKILAAAA ANNTVVGLDL VELAPNLDPT GRSELLMARL VMETLCEVFD DATA SEQUENCE HVL 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 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 3 G C 0.000 174.852 174.900 -0.080 0.000 0.946 3 G CA 0.000 45.061 45.100 -0.065 0.000 0.502 4 P HA 0.679 nan 4.420 nan 0.000 0.270 4 P C -0.617 176.593 177.300 -0.150 0.000 1.223 4 P CA 0.378 63.414 63.100 -0.108 0.000 0.785 4 P CB 1.411 33.048 31.700 -0.106 0.000 0.923 5 A N 1.026 123.756 122.820 -0.149 0.000 2.380 5 A HA 0.471 4.792 4.320 0.001 0.000 0.315 5 A C -0.117 177.365 177.584 -0.170 0.000 1.101 5 A CA -0.748 51.188 52.037 -0.168 0.000 0.771 5 A CB 0.748 19.678 19.000 -0.117 0.000 1.287 5 A HN 0.714 nan 8.150 nan 0.000 0.436 6 H N 1.027 120.021 119.070 -0.126 0.000 2.790 6 H HA 0.175 4.732 4.556 0.001 0.000 0.358 6 H C 0.145 175.336 175.328 -0.228 0.000 1.103 6 H CA 0.305 56.251 56.048 -0.170 0.000 1.426 6 H CB 0.627 30.296 29.762 -0.155 0.000 1.424 6 H HN 0.351 nan 8.280 nan 0.000 0.599 7 L N 3.702 124.802 121.223 -0.205 0.000 2.454 7 L HA 0.106 4.446 4.340 0.001 0.000 0.256 7 L C -0.936 175.687 176.870 -0.411 0.000 1.136 7 L CA -1.680 52.924 54.840 -0.394 0.000 0.804 7 L CB 0.163 41.757 42.059 -0.776 0.000 1.181 7 L HN 0.415 nan 8.230 nan 0.000 0.469 8 P HA -0.195 nan 4.420 nan 0.000 0.216 8 P C 1.025 178.252 177.300 -0.123 0.000 1.150 8 P CA 1.696 64.705 63.100 -0.151 0.000 0.843 8 P CB -0.042 31.635 31.700 -0.038 0.000 0.787 9 Y N -2.271 118.004 120.300 -0.041 0.000 2.529 9 Y HA 0.429 4.980 4.550 0.001 0.000 0.290 9 Y C 1.015 176.862 175.900 -0.089 0.000 1.177 9 Y CA -0.629 57.439 58.100 -0.053 0.000 1.305 9 Y CB -0.922 37.517 38.460 -0.036 0.000 1.047 9 Y HN -0.247 nan 8.280 nan 0.000 0.522 10 G N -0.163 108.462 108.800 -0.291 0.000 2.400 10 G HA2 0.552 4.513 3.960 0.001 0.000 0.333 10 G HA3 0.552 4.513 3.960 0.001 0.000 0.333 10 G C -0.082 174.414 174.900 -0.673 0.000 1.143 10 G CA -0.286 44.585 45.100 -0.381 0.000 0.914 10 G HN 0.808 nan 8.290 nan 0.000 0.480 11 G N -0.015 108.328 108.800 -0.762 0.000 2.756 11 G HA2 -0.004 3.957 3.960 0.001 0.000 0.678 11 G HA3 -0.004 3.957 3.960 0.001 0.000 0.678 11 G C -0.257 174.500 174.900 -0.238 0.000 1.349 11 G CA -0.648 44.093 45.100 -0.599 0.000 0.847 11 G HN 0.820 nan 8.290 nan 0.000 0.548 12 I N 1.991 122.480 120.570 -0.135 0.000 2.556 12 I HA 0.225 4.396 4.170 0.001 0.000 0.284 12 I C -1.213 174.870 176.117 -0.058 0.000 1.114 12 I CA -1.921 59.338 61.300 -0.067 0.000 1.418 12 I CB 0.541 38.522 38.000 -0.033 0.000 1.394 12 I HN 0.364 nan 8.210 nan 0.000 0.552 13 P HA 0.143 nan 4.420 nan 0.000 0.266 13 P C -0.399 176.911 177.300 0.017 0.000 1.586 13 P CA -0.195 62.896 63.100 -0.015 0.000 1.088 13 P CB -0.157 31.545 31.700 0.003 0.000 1.584 14 T N -0.030 114.529 114.554 0.008 0.000 2.945 14 T HA 0.429 4.780 4.350 0.001 0.000 0.286 14 T C -0.158 174.587 174.700 0.074 0.000 1.025 14 T CA -0.919 61.212 62.100 0.050 0.000 1.039 14 T CB 0.936 69.818 68.868 0.023 0.000 1.068 14 T HN 0.055 nan 8.240 nan 0.000 0.497 15 F N 2.461 122.415 119.950 0.008 0.000 2.571 15 F HA 0.365 4.892 4.527 0.001 0.000 0.384 15 F C 1.366 177.165 175.800 -0.000 0.000 1.058 15 F CA 0.433 58.449 58.000 0.027 0.000 1.200 15 F CB -0.553 38.487 39.000 0.067 0.000 1.077 15 F HN 1.157 nan 8.300 nan 0.000 0.558 16 A N 4.490 126.915 122.820 -0.658 0.000 2.847 16 A HA -0.333 3.988 4.320 0.001 0.000 0.263 16 A C 1.551 178.935 177.584 -0.333 0.000 1.391 16 A CA 1.304 53.001 52.037 -0.567 0.000 0.866 16 A CB -2.251 16.342 19.000 -0.678 0.000 1.057 16 A HN 1.069 nan 8.150 nan 0.000 0.673 17 R N -3.777 116.600 120.500 -0.204 0.000 3.758 17 R HA -0.211 4.129 4.340 0.001 0.000 0.299 17 R C 0.428 176.673 176.300 -0.092 0.000 1.182 17 R CA 1.171 57.195 56.100 -0.127 0.000 0.809 17 R CB -2.158 28.059 30.300 -0.137 0.000 1.249 17 R HN 2.188 nan 8.270 nan 0.000 0.497 18 A N 1.159 123.946 122.820 -0.055 0.000 2.332 18 A HA 0.519 4.840 4.320 0.001 0.000 0.258 18 A C -1.914 175.662 177.584 -0.013 0.000 1.087 18 A CA -0.974 51.062 52.037 -0.002 0.000 0.802 18 A CB 0.178 19.244 19.000 0.110 0.000 1.042 18 A HN 0.203 nan 8.150 nan 0.000 0.489 19 P HA 0.171 nan 4.420 nan 0.000 0.269 19 P C -0.669 176.576 177.300 -0.092 0.000 1.209 19 P CA -0.182 62.889 63.100 -0.048 0.000 0.776 19 P CB 0.567 32.242 31.700 -0.041 0.000 0.876 20 L N 4.819 125.993 121.223 -0.082 0.000 2.349 20 L HA 0.384 4.725 4.340 0.001 0.000 0.275 20 L C -0.178 176.594 176.870 -0.163 0.000 1.115 20 L CA -0.187 54.590 54.840 -0.106 0.000 0.820 20 L CB 0.786 42.813 42.059 -0.053 0.000 1.135 20 L HN 0.341 nan 8.230 nan 0.000 0.445 21 V N 1.812 121.571 119.914 -0.258 0.000 3.181 21 V HA 0.647 4.767 4.120 0.001 0.000 0.308 21 V C -0.897 175.091 176.094 -0.176 0.000 1.214 21 V CA -0.972 61.135 62.300 -0.321 0.000 1.053 21 V CB 1.930 33.213 31.823 -0.900 0.000 1.069 21 V HN 0.729 nan 8.190 nan 0.000 0.441 22 Q N 1.084 120.880 119.800 -0.008 0.000 2.230 22 Q HA 0.461 4.801 4.340 0.001 0.000 0.253 22 Q C -2.082 174.101 176.000 0.305 0.000 0.919 22 Q CA -2.082 53.789 55.803 0.114 0.000 0.908 22 Q CB 1.914 30.727 28.738 0.125 0.000 1.245 22 Q HN 0.551 nan 8.270 nan 0.000 0.437 23 P HA -0.182 nan 4.420 nan 0.000 0.216 23 P C 0.425 177.915 177.300 0.317 0.000 1.150 23 P CA 1.551 64.854 63.100 0.338 0.000 0.843 23 P CB 0.290 32.105 31.700 0.191 0.000 0.787 24 D N -1.749 118.774 120.400 0.204 0.000 2.388 24 D HA 0.108 4.749 4.640 0.001 0.000 0.221 24 D C 0.889 177.255 176.300 0.110 0.000 1.133 24 D CA -0.200 53.863 54.000 0.104 0.000 0.831 24 D CB -0.475 40.360 40.800 0.058 0.000 0.962 24 D HN -0.022 nan 8.370 nan 0.000 0.502 25 G N 0.227 109.180 108.800 0.254 0.000 2.621 25 G HA2 0.153 4.114 3.960 0.001 0.000 0.271 25 G HA3 0.153 4.114 3.960 0.001 0.000 0.271 25 G C -0.533 174.462 174.900 0.158 0.000 1.236 25 G CA -0.581 44.677 45.100 0.263 0.000 0.958 25 G HN 0.111 nan 8.290 nan 0.000 0.512 26 D N 0.720 121.217 120.400 0.161 0.000 2.522 26 D HA 0.269 4.910 4.640 0.001 0.000 0.218 26 D C 0.084 176.477 176.300 0.155 0.000 1.149 26 D CA -0.596 53.440 54.000 0.061 0.000 0.981 26 D CB -0.076 40.756 40.800 0.053 0.000 1.041 26 D HN 0.405 nan 8.370 nan 0.000 0.518 27 W N 1.407 122.714 121.300 0.012 0.000 3.042 27 W HA 0.597 5.258 4.660 0.001 0.000 0.342 27 W C -1.565 174.961 176.519 0.012 0.000 1.240 27 W CA -0.972 56.382 57.345 0.014 0.000 1.166 27 W CB 0.736 30.208 29.460 0.020 0.000 1.469 27 W HN 0.009 nan 8.180 nan 0.000 0.579 28 Q N 0.979 120.943 119.800 0.273 0.000 2.320 28 Q HA 0.657 4.997 4.340 0.001 0.000 0.272 28 Q C -1.249 174.949 176.000 0.331 0.000 1.023 28 Q CA -0.540 55.326 55.803 0.104 0.000 0.855 28 Q CB 2.882 31.618 28.738 -0.004 0.000 1.367 28 Q HN 0.682 nan 8.270 nan 0.000 0.406 29 A N 1.267 124.286 122.820 0.333 0.000 2.604 29 A HA 0.428 4.748 4.320 0.001 0.000 0.295 29 A C -0.498 177.168 177.584 0.137 0.000 1.067 29 A CA -0.592 51.593 52.037 0.246 0.000 0.683 29 A CB 1.255 20.428 19.000 0.289 0.000 1.281 29 A HN 0.737 nan 8.150 nan 0.000 0.407 30 D N -0.167 120.248 120.400 0.026 0.000 2.097 30 D HA -0.017 4.623 4.640 0.001 0.000 0.195 30 D C 0.520 176.813 176.300 -0.011 0.000 0.989 30 D CA 1.972 55.981 54.000 0.014 0.000 0.827 30 D CB 0.116 40.845 40.800 -0.119 0.000 0.966 30 D HN 0.274 nan 8.370 nan 0.000 0.456 31 V N 0.132 119.891 119.914 -0.259 0.000 2.604 31 V HA 0.682 4.802 4.120 0.001 0.000 0.305 31 V C -0.381 175.627 176.094 -0.142 0.000 1.043 31 V CA -0.900 61.217 62.300 -0.305 0.000 0.888 31 V CB 1.922 33.204 31.823 -0.902 0.000 0.995 31 V HN 0.143 nan 8.190 nan 0.000 0.429 32 A N 3.275 126.083 122.820 -0.019 0.000 2.398 32 A HA 0.951 5.272 4.320 0.001 0.000 0.301 32 A C -0.386 177.172 177.584 -0.044 0.000 1.041 32 A CA -0.282 51.770 52.037 0.024 0.000 0.711 32 A CB 1.684 20.820 19.000 0.227 0.000 1.240 32 A HN 1.370 nan 8.150 nan 0.000 0.420 33 A N 1.299 124.094 122.820 -0.043 0.000 2.312 33 A HA 0.801 5.122 4.320 0.001 0.000 0.326 33 A C -0.959 176.598 177.584 -0.044 0.000 1.172 33 A CA -0.438 51.520 52.037 -0.131 0.000 0.821 33 A CB 0.940 19.818 19.000 -0.203 0.000 1.166 33 A HN 1.829 nan 8.150 nan 0.000 0.493 34 L N 1.816 123.039 121.223 -0.000 0.000 2.470 34 L HA 0.730 5.071 4.340 0.001 0.000 0.268 34 L C 0.129 177.090 176.870 0.152 0.000 0.964 34 L CA 0.107 55.027 54.840 0.132 0.000 0.839 34 L CB 1.830 44.068 42.059 0.297 0.000 1.276 34 L HN 0.839 nan 8.230 nan 0.000 0.403 35 G N 3.201 112.065 108.800 0.106 0.000 2.412 35 G HA2 0.590 4.550 3.960 0.001 0.000 0.318 35 G HA3 0.590 4.550 3.960 0.001 0.000 0.318 35 G C -1.293 173.668 174.900 0.101 0.000 1.146 35 G CA -0.503 44.657 45.100 0.099 0.000 0.882 35 G HN 0.539 nan 8.290 nan 0.000 0.501 36 V N 2.933 122.906 119.914 0.099 0.000 2.383 36 V HA 0.252 4.373 4.120 0.001 0.000 0.264 36 V C -2.075 174.085 176.094 0.111 0.000 1.001 36 V CA -1.180 61.173 62.300 0.088 0.000 0.828 36 V CB 1.757 33.616 31.823 0.059 0.000 1.069 36 V HN 0.711 nan 8.190 nan 0.000 0.451 37 P HA 0.112 nan 4.420 nan 0.000 0.231 37 P C -0.626 176.715 177.300 0.068 0.000 1.756 37 P CA 0.191 63.313 63.100 0.036 0.000 0.990 37 P CB -0.318 31.364 31.700 -0.029 0.000 1.973 38 F N 3.264 123.189 119.950 -0.041 0.000 2.477 38 F HA 0.334 4.862 4.527 0.002 0.000 0.335 38 F C 0.015 175.807 175.800 -0.014 0.000 1.130 38 F CA -0.643 57.339 58.000 -0.031 0.000 0.948 38 F CB 1.683 40.682 39.000 -0.001 0.000 1.154 38 F HN -0.069 nan 8.300 nan 0.000 0.439 39 D N 4.725 124.936 120.400 -0.315 0.000 2.594 39 D HA 0.020 4.661 4.640 0.001 0.000 0.256 39 D C 0.864 176.997 176.300 -0.278 0.000 1.393 39 D CA 0.085 53.982 54.000 -0.172 0.000 0.797 39 D CB -0.958 39.792 40.800 -0.084 0.000 1.110 39 D HN 0.555 nan 8.370 nan 0.000 0.495 40 I N -3.320 116.881 120.570 -0.616 0.000 3.564 40 I HA 0.430 4.600 4.170 0.001 0.000 0.294 40 I C 1.507 177.527 176.117 -0.163 0.000 1.289 40 I CA 0.178 61.244 61.300 -0.389 0.000 1.325 40 I CB 0.203 37.927 38.000 -0.460 0.000 1.039 40 I HN 0.032 nan 8.210 nan 0.000 0.474 41 A N 1.537 124.343 122.820 -0.023 0.000 2.220 41 A HA 0.369 4.689 4.320 0.001 0.000 0.211 41 A C 1.079 178.743 177.584 0.132 0.000 1.176 41 A CA -0.191 51.955 52.037 0.183 0.000 0.834 41 A CB -0.332 18.931 19.000 0.438 0.000 0.868 41 A HN 0.492 nan 8.150 nan 0.000 0.488 42 L N -3.088 118.191 121.223 0.094 0.000 2.464 42 L HA 0.668 5.009 4.340 0.001 0.000 0.264 42 L C 0.884 177.804 176.870 0.083 0.000 1.199 42 L CA 0.604 55.497 54.840 0.089 0.000 0.818 42 L CB 0.132 42.242 42.059 0.084 0.000 1.102 42 L HN -0.024 nan 8.230 nan 0.000 0.473 43 G N -0.370 108.487 108.800 0.095 0.000 3.605 43 G HA2 0.263 4.224 3.960 0.001 0.000 0.277 43 G HA3 0.263 4.224 3.960 0.001 0.000 0.277 43 G C 0.078 175.098 174.900 0.200 0.000 1.093 43 G CA 0.114 45.276 45.100 0.102 0.000 0.821 43 G HN 0.721 nan 8.290 nan 0.000 0.532 44 F N -0.424 119.528 119.950 0.005 0.000 1.974 44 F HA 0.462 4.990 4.527 0.001 0.000 0.217 44 F C -0.208 175.601 175.800 0.016 0.000 1.278 44 F CA -1.030 56.977 58.000 0.010 0.000 1.241 44 F CB 0.587 39.595 39.000 0.013 0.000 1.985 44 F HN -0.250 nan 8.300 nan 0.000 0.120 45 R N 2.069 122.362 120.500 -0.345 0.000 2.207 45 R HA 0.355 4.696 4.340 0.001 0.000 0.334 45 R C -2.671 173.545 176.300 -0.140 0.000 1.013 45 R CA -1.658 54.204 56.100 -0.396 0.000 0.858 45 R CB 1.032 30.936 30.300 -0.660 0.000 1.094 45 R HN 0.056 nan 8.270 nan 0.000 0.457 46 P HA 0.230 nan 4.420 nan 0.000 0.274 46 P C 0.542 177.849 177.300 0.011 0.000 1.256 46 P CA -0.099 62.986 63.100 -0.025 0.000 0.795 46 P CB 0.922 32.610 31.700 -0.020 0.000 1.038 47 G N -1.019 107.811 108.800 0.050 0.000 3.033 47 G HA2 -0.077 3.883 3.960 0.001 0.000 0.208 47 G HA3 -0.077 3.883 3.960 0.001 0.000 0.208 47 G C 1.093 176.078 174.900 0.142 0.000 1.006 47 G CA 0.413 45.602 45.100 0.149 0.000 0.808 47 G HN 0.598 nan 8.290 nan 0.000 0.499 48 A N 1.595 124.453 122.820 0.065 0.000 2.125 48 A HA 0.055 4.376 4.320 0.001 0.000 0.219 48 A C 2.245 179.842 177.584 0.022 0.000 1.156 48 A CA 2.049 54.125 52.037 0.064 0.000 0.671 48 A CB -0.557 18.482 19.000 0.066 0.000 0.794 48 A HN 0.708 nan 8.150 nan 0.000 0.459 49 R N -1.652 118.790 120.500 -0.096 0.000 2.193 49 R HA -0.078 4.263 4.340 0.001 0.000 0.229 49 R C 0.723 176.843 176.300 -0.300 0.000 1.110 49 R CA 1.493 57.444 56.100 -0.248 0.000 0.988 49 R CB -0.601 29.421 30.300 -0.463 0.000 0.871 49 R HN 0.447 nan 8.270 nan 0.000 0.458 50 F N 0.950 120.919 119.950 0.031 0.000 2.727 50 F HA 0.378 4.906 4.527 0.001 0.000 0.302 50 F C 2.365 178.191 175.800 0.044 0.000 1.097 50 F CA -0.009 58.011 58.000 0.032 0.000 1.330 50 F CB 0.209 39.221 39.000 0.019 0.000 1.084 50 F HN 0.082 nan 8.300 nan 0.000 0.578 51 A N 0.968 123.895 122.820 0.179 0.000 1.902 51 A HA -0.081 4.240 4.320 0.001 0.000 0.217 51 A C -0.178 177.485 177.584 0.133 0.000 1.181 51 A CA 1.436 53.558 52.037 0.143 0.000 0.623 51 A CB -1.762 17.306 19.000 0.113 0.000 0.818 51 A HN 0.180 nan 8.150 nan 0.000 0.443 52 P HA -0.169 nan 4.420 nan 0.000 0.215 52 P C 1.743 179.123 177.300 0.134 0.000 1.153 52 P CA 1.536 64.703 63.100 0.112 0.000 0.853 52 P CB -0.071 31.682 31.700 0.089 0.000 0.788 53 R N -0.419 120.167 120.500 0.142 0.000 2.073 53 R HA -0.024 4.317 4.340 0.001 0.000 0.229 53 R C 2.123 178.501 176.300 0.130 0.000 1.120 53 R CA 1.444 57.628 56.100 0.140 0.000 0.967 53 R CB -0.792 29.607 30.300 0.164 0.000 0.862 53 R HN 0.043 nan 8.270 nan 0.000 0.436 54 A N 0.847 123.748 122.820 0.135 0.000 1.933 54 A HA -0.119 4.201 4.320 0.001 0.000 0.218 54 A C 2.127 179.779 177.584 0.114 0.000 1.175 54 A CA 1.106 53.207 52.037 0.106 0.000 0.628 54 A CB -0.496 18.565 19.000 0.102 0.000 0.814 54 A HN 0.336 nan 8.150 nan 0.000 0.444 55 L N -1.160 120.152 121.223 0.148 0.000 2.093 55 L HA -0.165 4.175 4.340 0.001 0.000 0.208 55 L C 2.875 179.896 176.870 0.251 0.000 1.085 55 L CA 1.246 56.205 54.840 0.199 0.000 0.755 55 L CB -0.380 41.812 42.059 0.222 0.000 0.904 55 L HN 0.353 nan 8.230 nan 0.000 0.435 56 R N -0.100 120.545 120.500 0.242 0.000 2.066 56 R HA -0.157 4.183 4.340 0.001 0.000 0.232 56 R C 2.186 178.534 176.300 0.079 0.000 1.131 56 R CA 1.486 57.721 56.100 0.225 0.000 0.955 56 R CB -0.262 30.150 30.300 0.187 0.000 0.851 56 R HN 0.452 nan 8.270 nan 0.000 0.432 57 E N 0.496 120.737 120.200 0.068 0.000 2.051 57 E HA -0.179 4.171 4.350 0.001 0.000 0.192 57 E C 2.027 178.632 176.600 0.008 0.000 0.991 57 E CA 1.230 57.646 56.400 0.026 0.000 0.799 57 E CB -0.143 29.577 29.700 0.034 0.000 0.748 57 E HN 0.348 nan 8.360 nan 0.000 0.449 58 A N 1.555 124.393 122.820 0.029 0.000 1.972 58 A HA -0.176 4.144 4.320 0.001 0.000 0.219 58 A C 2.292 179.861 177.584 -0.025 0.000 1.169 58 A CA 1.672 53.717 52.037 0.014 0.000 0.635 58 A CB -0.586 18.438 19.000 0.040 0.000 0.810 58 A HN 0.316 nan 8.150 nan 0.000 0.446 59 S N 0.017 115.679 115.700 -0.063 0.000 2.474 59 S HA -0.008 4.463 4.470 0.001 0.000 0.235 59 S C 1.559 176.036 174.600 -0.204 0.000 0.997 59 S CA 1.020 59.091 58.200 -0.216 0.000 0.949 59 S CB -0.695 62.150 63.200 -0.593 0.000 0.766 59 S HN 0.490 nan 8.310 nan 0.000 0.517 60 L N 0.261 121.403 121.223 -0.135 0.000 2.549 60 L HA 0.121 4.461 4.340 0.001 0.000 0.229 60 L C 2.610 179.423 176.870 -0.095 0.000 1.158 60 L CA 0.541 55.307 54.840 -0.125 0.000 0.842 60 L CB -0.433 41.567 42.059 -0.099 0.000 0.952 60 L HN 0.297 nan 8.230 nan 0.000 0.452 61 R N -0.826 119.634 120.500 -0.067 0.000 2.312 61 R HA 0.147 4.488 4.340 0.001 0.000 0.205 61 R C 0.478 176.779 176.300 0.002 0.000 0.904 61 R CA 0.185 56.264 56.100 -0.035 0.000 1.052 61 R CB 0.514 30.799 30.300 -0.024 0.000 1.014 61 R HN 0.103 nan 8.270 nan 0.000 0.503 62 S N 0.960 116.659 115.700 -0.002 0.000 2.272 62 S HA 0.210 4.681 4.470 0.001 0.000 0.207 62 S C -0.278 174.375 174.600 0.089 0.000 1.336 62 S CA -0.386 57.909 58.200 0.159 0.000 1.259 62 S CB 1.226 64.481 63.200 0.091 0.000 1.130 62 S HN -0.140 nan 8.310 nan 0.000 0.444 63 V N 5.189 125.030 119.914 -0.122 0.000 2.455 63 V HA 0.274 4.395 4.120 0.001 0.000 0.273 63 V C -1.650 174.013 176.094 -0.719 0.000 1.045 63 V CA -1.650 60.432 62.300 -0.363 0.000 0.976 63 V CB 0.490 32.140 31.823 -0.288 0.000 0.993 63 V HN 0.389 nan 8.190 nan 0.000 0.475 64 P HA 0.337 nan 4.420 nan 0.000 0.274 64 P C -2.494 174.401 177.300 -0.674 0.000 1.246 64 P CA -1.194 61.210 63.100 -1.160 0.000 0.795 64 P CB 0.306 31.521 31.700 -0.809 0.000 1.006 65 P HA 0.367 nan 4.420 nan 0.000 0.282 65 P C -1.119 175.764 177.300 -0.696 0.000 1.287 65 P CA -0.209 62.587 63.100 -0.507 0.000 0.792 65 P CB 0.549 32.135 31.700 -0.189 0.000 1.163 66 F N -1.525 118.410 119.950 -0.025 0.000 2.518 66 F HA 0.316 4.844 4.527 0.001 0.000 0.323 66 F C 0.377 176.174 175.800 -0.004 0.000 1.129 66 F CA -0.497 57.492 58.000 -0.019 0.000 0.920 66 F CB 1.844 40.839 39.000 -0.008 0.000 1.160 66 F HN -0.030 nan 8.300 nan 0.000 0.440 67 T N 2.517 117.161 114.554 0.151 0.000 2.770 67 T HA 0.485 4.835 4.350 0.001 0.000 0.297 67 T C 0.571 175.325 174.700 0.090 0.000 0.997 67 T CA -0.717 61.438 62.100 0.092 0.000 0.949 67 T CB 0.983 69.877 68.868 0.043 0.000 0.941 67 T HN 0.835 nan 8.240 nan 0.000 0.457 68 G N 1.403 110.251 108.800 0.082 0.000 2.653 68 G HA2 0.338 4.299 3.960 0.001 0.000 0.265 68 G HA3 0.338 4.299 3.960 0.001 0.000 0.265 68 G C 1.135 176.057 174.900 0.038 0.000 1.237 68 G CA -0.606 44.527 45.100 0.056 0.000 0.946 68 G HN 0.654 nan 8.290 nan 0.000 0.522 69 L N -0.038 121.201 121.223 0.027 0.000 2.127 69 L HA -0.095 4.245 4.340 0.001 0.000 0.211 69 L C 2.324 179.206 176.870 0.020 0.000 1.089 69 L CA 2.676 57.527 54.840 0.019 0.000 0.757 69 L CB -0.556 41.511 42.059 0.013 0.000 0.899 69 L HN 0.687 nan 8.230 nan 0.000 0.434 70 D N -1.501 118.913 120.400 0.023 0.000 2.378 70 D HA 0.085 4.726 4.640 0.001 0.000 0.227 70 D C 1.704 178.018 176.300 0.022 0.000 1.012 70 D CA 0.814 54.827 54.000 0.022 0.000 0.905 70 D CB -0.383 40.432 40.800 0.025 0.000 0.895 70 D HN 0.425 nan 8.370 nan 0.000 0.532 71 G N -0.271 108.544 108.800 0.025 0.000 2.195 71 G HA2 -0.315 3.646 3.960 0.001 0.000 0.246 71 G HA3 -0.315 3.646 3.960 0.001 0.000 0.246 71 G C 0.180 175.097 174.900 0.028 0.000 0.984 71 G CA 0.149 45.263 45.100 0.023 0.000 0.633 71 G HN 0.485 nan 8.290 nan 0.000 0.525 72 K N 1.102 121.523 120.400 0.034 0.000 2.218 72 K HA 0.545 4.866 4.320 0.001 0.000 0.276 72 K C -0.102 176.530 176.600 0.054 0.000 1.022 72 K CA 0.209 56.519 56.287 0.039 0.000 0.946 72 K CB 0.932 33.456 32.500 0.040 0.000 1.000 72 K HN 0.106 nan 8.250 nan 0.000 0.468 73 T N 2.785 117.371 114.554 0.054 0.000 2.823 73 T HA 0.390 4.741 4.350 0.001 0.000 0.279 73 T C -0.278 174.475 174.700 0.088 0.000 0.998 73 T CA -0.811 61.331 62.100 0.068 0.000 0.994 73 T CB 1.043 69.935 68.868 0.039 0.000 0.960 73 T HN 0.393 nan 8.240 nan 0.000 0.448 74 R N 1.517 122.100 120.500 0.138 0.000 2.832 74 R HA 0.626 4.967 4.340 0.001 0.000 0.271 74 R C 0.131 176.538 176.300 0.178 0.000 0.996 74 R CA -0.961 55.239 56.100 0.166 0.000 0.977 74 R CB 1.248 31.670 30.300 0.204 0.000 1.168 74 R HN 0.625 nan 8.270 nan 0.000 0.482 75 L N -0.014 121.307 121.223 0.162 0.000 4.496 75 L HA -0.256 4.085 4.340 0.001 0.000 0.419 75 L C -0.073 176.819 176.870 0.037 0.000 1.139 75 L CA 0.274 55.179 54.840 0.108 0.000 0.975 75 L CB -1.262 40.910 42.059 0.189 0.000 2.099 75 L HN 0.629 nan 8.230 nan 0.000 0.818 76 Q N 1.223 121.045 119.800 0.037 0.000 2.271 76 Q HA 0.397 4.738 4.340 0.001 0.000 0.273 76 Q C 1.323 177.329 176.000 0.010 0.000 1.051 76 Q CA 1.534 57.343 55.803 0.009 0.000 0.901 76 Q CB 0.807 29.555 28.738 0.017 0.000 1.174 76 Q HN 0.381 nan 8.270 nan 0.000 0.385 77 G N 2.544 111.343 108.800 -0.002 0.000 2.205 77 G HA2 -0.244 3.716 3.960 0.001 0.000 0.261 77 G HA3 -0.244 3.716 3.960 0.001 0.000 0.261 77 G C -0.162 174.739 174.900 0.001 0.000 0.980 77 G CA 0.061 45.164 45.100 0.005 0.000 0.632 77 G HN 0.673 nan 8.290 nan 0.000 0.533 78 V N 3.103 123.005 119.914 -0.020 0.000 2.439 78 V HA 0.472 4.593 4.120 0.001 0.000 0.271 78 V C 1.228 177.341 176.094 0.031 0.000 1.040 78 V CA 0.430 62.665 62.300 -0.109 0.000 1.002 78 V CB 0.669 32.295 31.823 -0.329 0.000 1.000 78 V HN 0.678 nan 8.190 nan 0.000 0.477 79 T N 2.925 117.472 114.554 -0.012 0.000 2.910 79 T HA 0.667 5.018 4.350 0.001 0.000 0.293 79 T C -0.710 174.019 174.700 0.050 0.000 1.015 79 T CA -0.342 61.816 62.100 0.095 0.000 1.094 79 T CB 0.810 69.719 68.868 0.068 0.000 0.968 79 T HN 0.194 nan 8.240 nan 0.000 0.521 80 F N 0.372 120.307 119.950 -0.024 0.000 2.593 80 F HA 0.788 5.316 4.527 0.001 0.000 0.320 80 F C 0.295 176.080 175.800 -0.025 0.000 1.060 80 F CA -0.974 57.025 58.000 -0.002 0.000 0.940 80 F CB 2.209 41.209 39.000 -0.000 0.000 1.268 80 F HN 1.033 nan 8.300 nan 0.000 0.475 81 A N 0.965 123.850 122.820 0.109 0.000 2.594 81 A HA 0.588 4.909 4.320 0.001 0.000 0.295 81 A C -2.102 175.417 177.584 -0.108 0.000 1.071 81 A CA -0.583 51.380 52.037 -0.123 0.000 0.685 81 A CB 1.762 20.480 19.000 -0.471 0.000 1.285 81 A HN 0.591 nan 8.150 nan 0.000 0.405 82 D N 1.609 121.915 120.400 -0.158 0.000 2.462 82 D HA 0.533 5.174 4.640 0.001 0.000 0.245 82 D C 0.511 176.706 176.300 -0.176 0.000 1.122 82 D CA 0.241 54.196 54.000 -0.075 0.000 0.864 82 D CB 1.744 42.560 40.800 0.026 0.000 1.098 82 D HN 0.598 nan 8.370 nan 0.000 0.541 83 A N 2.872 125.598 122.820 -0.157 0.000 2.276 83 A HA 0.523 4.844 4.320 0.001 0.000 0.212 83 A C 1.280 178.854 177.584 -0.016 0.000 1.230 83 A CA 0.685 52.652 52.037 -0.117 0.000 0.844 83 A CB -0.708 18.297 19.000 0.009 0.000 0.860 83 A HN 0.899 nan 8.150 nan 0.000 0.486 84 G N -0.306 108.490 108.800 -0.007 0.000 2.562 84 G HA2 -0.171 3.790 3.960 0.001 0.000 0.250 84 G HA3 -0.171 3.790 3.960 0.001 0.000 0.250 84 G C -0.830 174.099 174.900 0.048 0.000 1.269 84 G CA 0.087 45.201 45.100 0.023 0.000 0.919 84 G HN 0.418 nan 8.290 nan 0.000 0.574 85 D N -0.626 119.804 120.400 0.050 0.000 2.340 85 D HA 0.549 5.190 4.640 0.001 0.000 0.240 85 D C 0.450 176.782 176.300 0.054 0.000 1.001 85 D CA -0.397 53.638 54.000 0.058 0.000 0.888 85 D CB 1.780 42.611 40.800 0.052 0.000 1.310 85 D HN 0.444 nan 8.370 nan 0.000 0.474 86 V N 1.559 121.506 119.914 0.055 0.000 2.655 86 V HA 0.063 4.184 4.120 0.001 0.000 0.300 86 V C 0.769 176.882 176.094 0.031 0.000 1.044 86 V CA -0.187 62.136 62.300 0.039 0.000 1.095 86 V CB 0.341 32.176 31.823 0.021 0.000 0.952 86 V HN 0.359 nan 8.190 nan 0.000 0.485 87 I N 6.342 126.926 120.570 0.023 0.000 2.329 87 I HA 0.187 4.358 4.170 0.001 0.000 0.295 87 I C 0.014 176.140 176.117 0.015 0.000 1.109 87 I CA 0.247 61.559 61.300 0.019 0.000 1.297 87 I CB -0.006 38.003 38.000 0.015 0.000 1.433 87 I HN 0.406 nan 8.210 nan 0.000 0.509 88 L N 8.558 129.797 121.223 0.026 0.000 2.357 88 L HA 0.531 4.871 4.340 0.001 0.000 0.273 88 L C -1.691 175.194 176.870 0.025 0.000 1.080 88 L CA -1.592 53.271 54.840 0.039 0.000 0.803 88 L CB 0.553 42.669 42.059 0.095 0.000 1.174 88 L HN 0.433 nan 8.230 nan 0.000 0.443 89 P HA 0.286 nan 4.420 nan 0.000 0.284 89 P C -1.028 176.276 177.300 0.007 0.000 1.292 89 P CA -0.589 62.514 63.100 0.004 0.000 0.800 89 P CB 1.233 32.927 31.700 -0.010 0.000 1.188 90 S N -0.361 115.333 115.700 -0.010 0.000 2.525 90 S HA 0.410 4.880 4.470 0.001 0.000 0.278 90 S C 0.673 175.260 174.600 -0.021 0.000 1.234 90 S CA -0.465 57.721 58.200 -0.024 0.000 1.058 90 S CB -0.316 62.868 63.200 -0.026 0.000 0.983 90 S HN 0.520 nan 8.310 nan 0.000 0.495 91 L N 1.006 122.208 121.223 -0.035 0.000 6.963 91 L HA -0.273 4.067 4.340 0.001 0.000 0.053 91 L C 0.047 176.917 176.870 -0.000 0.000 1.740 91 L CA 0.523 55.350 54.840 -0.021 0.000 1.613 91 L CB -0.880 41.168 42.059 -0.017 0.000 2.780 91 L HN 0.624 nan 8.230 nan 0.000 1.092 92 E N -0.489 119.699 120.200 -0.020 0.000 2.197 92 E HA -0.214 4.136 4.350 0.001 0.000 0.184 92 E C -1.648 174.879 176.600 -0.123 0.000 1.439 92 E CA 0.885 57.250 56.400 -0.059 0.000 0.688 92 E CB -1.182 28.485 29.700 -0.054 0.000 1.090 92 E HN 0.537 nan 8.360 nan 0.000 0.341 93 P HA -0.253 nan 4.420 nan 0.000 0.215 93 P C 1.574 178.304 177.300 -0.951 0.000 1.153 93 P CA 1.412 64.266 63.100 -0.410 0.000 0.853 93 P CB 0.203 31.733 31.700 -0.284 0.000 0.788 94 Q N -0.574 118.794 119.800 -0.720 0.000 2.084 94 Q HA -0.164 4.177 4.340 0.001 0.000 0.202 94 Q C 2.264 178.027 176.000 -0.396 0.000 0.978 94 Q CA 1.099 56.521 55.803 -0.635 0.000 0.844 94 Q CB -0.537 27.977 28.738 -0.373 0.000 0.898 94 Q HN 0.080 nan 8.270 nan 0.000 0.426 95 L N 0.496 121.553 121.223 -0.276 0.000 2.056 95 L HA -0.056 4.285 4.340 0.001 0.000 0.207 95 L C 2.181 178.942 176.870 -0.181 0.000 1.078 95 L CA 2.131 56.866 54.840 -0.175 0.000 0.749 95 L CB -0.891 41.099 42.059 -0.114 0.000 0.901 95 L HN 0.241 nan 8.230 nan 0.000 0.433 96 A N -0.978 121.705 122.820 -0.229 0.000 1.883 96 A HA -0.291 4.029 4.320 0.001 0.000 0.217 96 A C 2.153 179.610 177.584 -0.212 0.000 1.186 96 A CA 2.070 53.990 52.037 -0.195 0.000 0.624 96 A CB -1.246 17.642 19.000 -0.187 0.000 0.822 96 A HN 0.734 nan 8.150 nan 0.000 0.444 97 H N -0.552 118.312 119.070 -0.343 0.000 2.319 97 H HA -0.143 4.414 4.556 0.001 0.000 0.299 97 H C 1.631 176.767 175.328 -0.320 0.000 1.092 97 H CA 0.961 56.771 56.048 -0.397 0.000 1.302 97 H CB -0.019 29.463 29.762 -0.466 0.000 1.373 97 H HN 0.451 nan 8.280 nan 0.000 0.497 98 D N 0.264 120.587 120.400 -0.127 0.000 2.144 98 D HA -0.100 4.540 4.640 0.001 0.000 0.200 98 D C 2.267 178.501 176.300 -0.110 0.000 0.978 98 D CA 0.619 54.543 54.000 -0.126 0.000 0.833 98 D CB -0.082 40.654 40.800 -0.107 0.000 0.961 98 D HN 0.271 nan 8.370 nan 0.000 0.470 99 R N 0.454 120.894 120.500 -0.101 0.000 2.081 99 R HA -0.055 4.285 4.340 0.001 0.000 0.235 99 R C 2.566 178.818 176.300 -0.080 0.000 1.131 99 R CA 0.522 56.578 56.100 -0.074 0.000 0.960 99 R CB -0.708 29.556 30.300 -0.060 0.000 0.856 99 R HN 0.321 nan 8.270 nan 0.000 0.436 100 I N 0.323 120.824 120.570 -0.115 0.000 2.179 100 I HA -0.247 3.924 4.170 0.001 0.000 0.242 100 I C 2.230 178.253 176.117 -0.156 0.000 1.088 100 I CA 1.500 62.718 61.300 -0.137 0.000 1.357 100 I CB -0.553 37.330 38.000 -0.195 0.000 1.051 100 I HN 0.129 nan 8.210 nan 0.000 0.409 101 T N -0.215 114.229 114.554 -0.184 0.000 2.746 101 T HA -0.225 4.125 4.350 0.001 0.000 0.267 101 T C 1.811 176.439 174.700 -0.120 0.000 1.039 101 T CA 1.707 63.698 62.100 -0.181 0.000 1.142 101 T CB -0.222 68.524 68.868 -0.203 0.000 0.866 101 T HN 0.276 nan 8.240 nan 0.000 0.444 102 E N 1.477 121.621 120.200 -0.093 0.000 2.077 102 E HA -0.004 4.347 4.350 0.001 0.000 0.193 102 E C 2.212 178.794 176.600 -0.029 0.000 0.989 102 E CA 1.354 57.718 56.400 -0.060 0.000 0.800 102 E CB -0.586 29.085 29.700 -0.048 0.000 0.746 102 E HN 0.424 nan 8.360 nan 0.000 0.452 103 A N 0.730 123.541 122.820 -0.015 0.000 1.902 103 A HA -0.018 4.303 4.320 0.001 0.000 0.217 103 A C 2.436 180.067 177.584 0.078 0.000 1.181 103 A CA 2.028 54.088 52.037 0.038 0.000 0.623 103 A CB -0.989 18.038 19.000 0.044 0.000 0.818 103 A HN 0.379 nan 8.150 nan 0.000 0.443 104 A N -0.307 122.535 122.820 0.036 0.000 1.902 104 A HA -0.151 4.169 4.320 0.001 0.000 0.217 104 A C 2.266 179.890 177.584 0.066 0.000 1.181 104 A CA 1.388 53.489 52.037 0.106 0.000 0.623 104 A CB -0.463 18.458 19.000 -0.132 0.000 0.818 104 A HN 0.485 nan 8.150 nan 0.000 0.443 105 R N -0.434 120.042 120.500 -0.040 0.000 2.073 105 R HA -0.162 4.179 4.340 0.001 0.000 0.234 105 R C 2.406 178.678 176.300 -0.046 0.000 1.134 105 R CA 1.762 57.810 56.100 -0.088 0.000 0.952 105 R CB -0.522 29.720 30.300 -0.096 0.000 0.850 105 R HN 0.737 nan 8.270 nan 0.000 0.433 106 Q N 0.098 119.894 119.800 -0.007 0.000 2.061 106 Q HA -0.121 4.220 4.340 0.001 0.000 0.204 106 Q C 2.253 178.266 176.000 0.022 0.000 0.984 106 Q CA 1.547 57.350 55.803 -0.000 0.000 0.846 106 Q CB -0.179 28.582 28.738 0.039 0.000 0.902 106 Q HN 0.123 nan 8.270 nan 0.000 0.421 107 V N 0.963 120.957 119.914 0.133 0.000 2.343 107 V HA -0.243 3.878 4.120 0.001 0.000 0.247 107 V C 2.283 178.444 176.094 0.112 0.000 1.051 107 V CA 1.606 64.049 62.300 0.238 0.000 1.036 107 V CB -0.529 31.489 31.823 0.325 0.000 0.654 107 V HN 0.309 nan 8.190 nan 0.000 0.451 108 R N 0.218 120.755 120.500 0.062 0.000 2.105 108 R HA -0.132 4.209 4.340 0.001 0.000 0.239 108 R C 2.258 178.514 176.300 -0.073 0.000 1.135 108 R CA 1.575 57.666 56.100 -0.015 0.000 0.967 108 R CB -0.823 29.396 30.300 -0.136 0.000 0.861 108 R HN 0.588 nan 8.270 nan 0.000 0.442 109 G N -0.106 108.628 108.800 -0.108 0.000 2.848 109 G HA2 -0.152 3.809 3.960 0.001 0.000 0.208 109 G HA3 -0.152 3.809 3.960 0.001 0.000 0.208 109 G C 1.226 175.993 174.900 -0.222 0.000 1.152 109 G CA -0.075 44.940 45.100 -0.143 0.000 0.789 109 G HN 0.276 nan 8.290 nan 0.000 0.531 110 R N -0.993 119.317 120.500 -0.317 0.000 2.476 110 R HA 0.280 4.621 4.340 0.001 0.000 0.276 110 R C 0.310 176.391 176.300 -0.365 0.000 0.941 110 R CA 0.123 55.868 56.100 -0.592 0.000 1.088 110 R CB 0.348 29.787 30.300 -1.434 0.000 1.216 110 R HN 0.450 nan 8.270 nan 0.000 0.533 111 C N -2.761 116.481 119.300 -0.097 0.000 3.285 111 C HA 0.529 4.989 4.460 0.001 0.000 0.320 111 C C 1.127 176.145 174.990 0.048 0.000 1.411 111 C CA -1.056 57.998 59.018 0.060 0.000 1.429 111 C CB 2.189 30.046 27.740 0.195 0.000 1.812 111 C HN 0.311 nan 8.230 nan 0.000 0.454 112 R N 0.185 120.738 120.500 0.090 0.000 2.087 112 R HA 0.419 4.760 4.340 0.001 0.000 0.216 112 R C -0.310 176.040 176.300 0.084 0.000 1.114 112 R CA 1.119 57.272 56.100 0.088 0.000 1.002 112 R CB 0.082 30.469 30.300 0.144 0.000 0.903 112 R HN 0.700 nan 8.270 nan 0.000 0.445 113 V N 3.915 123.902 119.914 0.121 0.000 2.409 113 V HA 0.416 4.537 4.120 0.001 0.000 0.290 113 V C -2.513 173.593 176.094 0.020 0.000 1.017 113 V CA -1.922 60.429 62.300 0.086 0.000 0.841 113 V CB 1.696 33.598 31.823 0.131 0.000 1.003 113 V HN 0.262 nan 8.190 nan 0.000 0.426 114 P HA 0.411 nan 4.420 nan 0.000 0.290 114 P C -0.988 175.996 177.300 -0.527 0.000 1.276 114 P CA -0.399 62.531 63.100 -0.285 0.000 0.808 114 P CB 2.283 33.791 31.700 -0.320 0.000 0.966 115 V N 4.676 124.274 119.914 -0.527 0.000 2.357 115 V HA 0.352 4.473 4.120 0.001 0.000 0.284 115 V C -0.136 175.656 176.094 -0.504 0.000 1.018 115 V CA -0.387 61.642 62.300 -0.451 0.000 0.841 115 V CB 0.481 32.121 31.823 -0.303 0.000 0.991 115 V HN 0.374 nan 8.190 nan 0.000 0.437 116 F N 5.223 125.175 119.950 0.003 0.000 2.415 116 F HA 0.590 5.118 4.527 0.001 0.000 0.348 116 F C 0.096 175.888 175.800 -0.013 0.000 1.119 116 F CA -0.745 57.269 58.000 0.024 0.000 1.069 116 F CB 1.281 40.351 39.000 0.117 0.000 1.124 116 F HN 0.207 nan 8.300 nan 0.000 0.472 117 L N 3.969 125.278 121.223 0.143 0.000 2.262 117 L HA 0.564 4.905 4.340 0.001 0.000 0.288 117 L C 0.621 177.559 176.870 0.113 0.000 1.035 117 L CA -0.567 54.321 54.840 0.079 0.000 0.820 117 L CB 0.891 42.958 42.059 0.012 0.000 1.204 117 L HN 0.767 nan 8.230 nan 0.000 0.424 118 G N 1.375 110.242 108.800 0.111 0.000 2.557 118 G HA2 0.657 4.618 3.960 0.001 0.000 0.292 118 G HA3 0.657 4.618 3.960 0.001 0.000 0.292 118 G C 0.037 174.996 174.900 0.099 0.000 1.237 118 G CA -0.070 45.096 45.100 0.109 0.000 0.978 118 G HN 0.928 nan 8.290 nan 0.000 0.498 119 G N -0.550 108.311 108.800 0.101 0.000 2.719 119 G HA2 0.291 4.252 3.960 0.001 0.000 0.686 119 G HA3 0.291 4.252 3.960 0.001 0.000 0.686 119 G C -0.375 174.611 174.900 0.144 0.000 1.201 119 G CA 0.163 45.348 45.100 0.141 0.000 0.768 119 G HN 1.254 nan 8.290 nan 0.000 0.629 120 D N -0.676 119.842 120.400 0.197 0.000 2.398 120 D HA 0.305 4.946 4.640 0.001 0.000 0.247 120 D C 1.214 177.642 176.300 0.214 0.000 1.227 120 D CA -0.079 54.032 54.000 0.186 0.000 0.980 120 D CB 0.400 41.317 40.800 0.195 0.000 1.106 120 D HN 0.629 nan 8.370 nan 0.000 0.493 121 H N -1.340 117.802 119.070 0.120 0.000 2.543 121 H HA -0.114 4.442 4.556 0.001 0.000 0.286 121 H C 1.787 177.126 175.328 0.019 0.000 1.037 121 H CA 0.883 56.982 56.048 0.085 0.000 1.250 121 H CB 0.338 30.160 29.762 0.101 0.000 1.373 121 H HN 0.474 nan 8.280 nan 0.000 0.580 122 S N 0.033 115.858 115.700 0.207 0.000 2.442 122 S HA -0.149 4.322 4.470 0.001 0.000 0.236 122 S C 2.265 176.865 174.600 -0.000 0.000 1.007 122 S CA 1.026 59.293 58.200 0.112 0.000 0.965 122 S CB -0.844 62.500 63.200 0.241 0.000 0.773 122 S HN 0.388 nan 8.310 nan 0.000 0.504 123 V N -0.293 119.626 119.914 0.009 0.000 2.720 123 V HA -0.032 4.089 4.120 0.001 0.000 0.256 123 V C 2.173 178.202 176.094 -0.109 0.000 1.082 123 V CA 1.828 64.064 62.300 -0.106 0.000 1.101 123 V CB -1.454 30.347 31.823 -0.037 0.000 0.693 123 V HN 0.467 nan 8.190 nan 0.000 0.479 124 S N -0.178 115.506 115.700 -0.026 0.000 2.419 124 S HA -0.134 4.337 4.470 0.001 0.000 0.233 124 S C 1.648 176.139 174.600 -0.182 0.000 1.016 124 S CA 1.825 59.989 58.200 -0.061 0.000 0.974 124 S CB -0.573 62.588 63.200 -0.066 0.000 0.786 124 S HN 0.879 nan 8.310 nan 0.000 0.492 125 Y N 3.933 124.030 120.300 -0.340 0.000 2.070 125 Y HA -0.036 4.515 4.550 0.001 0.000 0.279 125 Y C -1.006 174.714 175.900 -0.300 0.000 1.134 125 Y CA 0.942 58.844 58.100 -0.331 0.000 1.113 125 Y CB -1.601 36.656 38.460 -0.337 0.000 0.981 125 Y HN 0.177 nan 8.280 nan 0.000 0.487 126 P HA -0.147 nan 4.420 nan 0.000 0.222 126 P C 1.815 178.856 177.300 -0.432 0.000 1.147 126 P CA 1.158 63.820 63.100 -0.730 0.000 0.790 126 P CB 0.017 31.358 31.700 -0.599 0.000 0.780 127 L N -0.439 120.567 121.223 -0.361 0.000 2.027 127 L HA -0.052 4.289 4.340 0.001 0.000 0.206 127 L C 2.719 179.493 176.870 -0.160 0.000 1.074 127 L CA 1.530 56.159 54.840 -0.351 0.000 0.745 127 L CB -1.712 40.118 42.059 -0.382 0.000 0.898 127 L HN -0.116 nan 8.230 nan 0.000 0.433 128 L N -1.140 119.942 121.223 -0.234 0.000 2.191 128 L HA -0.197 4.144 4.340 0.001 0.000 0.212 128 L C 2.567 179.456 176.870 0.031 0.000 1.103 128 L CA 0.820 55.539 54.840 -0.201 0.000 0.769 128 L CB -0.381 41.515 42.059 -0.271 0.000 0.908 128 L HN 0.239 nan 8.230 nan 0.000 0.438 129 R N -0.114 120.331 120.500 -0.091 0.000 2.193 129 R HA -0.114 4.227 4.340 0.001 0.000 0.229 129 R C 2.133 178.410 176.300 -0.037 0.000 1.110 129 R CA 1.048 57.098 56.100 -0.083 0.000 0.988 129 R CB -0.355 29.808 30.300 -0.228 0.000 0.871 129 R HN 0.322 nan 8.270 nan 0.000 0.458 130 A N 0.014 122.822 122.820 -0.020 0.000 2.209 130 A HA -0.033 4.287 4.320 0.001 0.000 0.212 130 A C 0.756 178.171 177.584 -0.282 0.000 1.158 130 A CA 0.672 52.619 52.037 -0.150 0.000 0.742 130 A CB -0.089 18.780 19.000 -0.219 0.000 0.790 130 A HN 0.189 nan 8.150 nan 0.000 0.472 131 F N -1.262 118.657 119.950 -0.052 0.000 2.708 131 F HA 0.409 4.937 4.527 0.001 0.000 0.300 131 F C 1.871 177.663 175.800 -0.014 0.000 1.118 131 F CA -0.175 57.816 58.000 -0.015 0.000 1.307 131 F CB -0.127 38.861 39.000 -0.020 0.000 0.986 131 F HN 0.186 nan 8.300 nan 0.000 0.522 132 A N 0.236 123.110 122.820 0.090 0.000 2.070 132 A HA -0.193 4.127 4.320 0.001 0.000 0.220 132 A C 1.776 179.392 177.584 0.052 0.000 1.159 132 A CA 1.949 54.023 52.037 0.062 0.000 0.656 132 A CB -0.561 18.454 19.000 0.025 0.000 0.800 132 A HN 0.411 nan 8.150 nan 0.000 0.453 133 D N -0.953 119.470 120.400 0.037 0.000 2.328 133 D HA 0.144 4.784 4.640 0.001 0.000 0.221 133 D C -0.038 176.292 176.300 0.051 0.000 1.072 133 D CA -0.069 53.947 54.000 0.027 0.000 0.850 133 D CB -0.446 40.350 40.800 -0.005 0.000 0.922 133 D HN 0.103 nan 8.370 nan 0.000 0.516 134 V N 2.914 122.886 119.914 0.096 0.000 2.383 134 V HA 0.304 4.424 4.120 0.001 0.000 0.275 134 V C -2.032 174.119 176.094 0.096 0.000 1.036 134 V CA -1.571 60.797 62.300 0.113 0.000 0.889 134 V CB 1.387 33.327 31.823 0.195 0.000 0.985 134 V HN 0.087 nan 8.190 nan 0.000 0.459 135 P HA 0.144 nan 4.420 nan 0.000 0.275 135 P C -0.349 177.005 177.300 0.090 0.000 1.227 135 P CA 0.035 63.176 63.100 0.069 0.000 0.781 135 P CB 0.548 32.277 31.700 0.048 0.000 0.906 136 D N -0.258 120.206 120.400 0.107 0.000 2.740 136 D HA -0.190 4.451 4.640 0.001 0.000 0.231 136 D C 0.208 176.667 176.300 0.266 0.000 1.194 136 D CA 0.675 54.775 54.000 0.166 0.000 0.673 136 D CB -0.915 39.985 40.800 0.166 0.000 0.995 136 D HN 0.292 nan 8.370 nan 0.000 0.411 137 L N 1.681 123.022 121.223 0.197 0.000 2.462 137 L HA 0.121 4.461 4.340 0.001 0.000 0.272 137 L C 0.317 177.342 176.870 0.258 0.000 1.166 137 L CA 0.423 55.381 54.840 0.196 0.000 0.880 137 L CB 0.469 42.598 42.059 0.116 0.000 1.142 137 L HN 0.136 nan 8.230 nan 0.000 0.473 138 H N 3.818 122.897 119.070 0.016 0.000 2.529 138 H HA 0.588 5.144 4.556 0.001 0.000 0.348 138 H C -1.049 174.281 175.328 0.003 0.000 1.152 138 H CA -1.205 54.856 56.048 0.022 0.000 1.202 138 H CB 2.077 31.857 29.762 0.031 0.000 1.562 138 H HN 0.397 nan 8.280 nan 0.000 0.515 139 V N 3.361 123.323 119.914 0.080 0.000 2.540 139 V HA 0.159 4.280 4.120 0.001 0.000 0.302 139 V C -0.280 175.831 176.094 0.029 0.000 1.035 139 V CA -0.737 61.606 62.300 0.071 0.000 0.873 139 V CB 2.018 33.851 31.823 0.016 0.000 0.992 139 V HN 0.441 nan 8.190 nan 0.000 0.428 140 V N 5.242 125.229 119.914 0.122 0.000 2.334 140 V HA 0.422 4.543 4.120 0.001 0.000 0.281 140 V C -0.087 176.086 176.094 0.133 0.000 1.016 140 V CA -0.362 62.024 62.300 0.144 0.000 0.832 140 V CB 1.377 33.392 31.823 0.320 0.000 0.999 140 V HN 0.934 nan 8.190 nan 0.000 0.439 141 Q N 5.607 125.400 119.800 -0.011 0.000 2.333 141 Q HA 0.573 4.914 4.340 0.001 0.000 0.265 141 Q C -1.597 174.395 176.000 -0.014 0.000 0.989 141 Q CA -0.676 55.120 55.803 -0.012 0.000 0.842 141 Q CB 1.682 30.280 28.738 -0.234 0.000 1.262 141 Q HN 0.692 nan 8.270 nan 0.000 0.451 142 L N 4.081 125.307 121.223 0.005 0.000 2.264 142 L HA 0.551 4.892 4.340 0.001 0.000 0.289 142 L C -0.444 176.423 176.870 -0.004 0.000 1.044 142 L CA -0.283 54.509 54.840 -0.080 0.000 0.807 142 L CB 1.064 43.003 42.059 -0.200 0.000 1.192 142 L HN 0.705 nan 8.230 nan 0.000 0.425 143 D N 1.284 121.683 120.400 -0.003 0.000 2.685 143 D HA 0.288 4.929 4.640 0.001 0.000 0.236 143 D C -0.081 176.238 176.300 0.031 0.000 1.233 143 D CA -0.307 53.752 54.000 0.097 0.000 0.760 143 D CB 2.149 43.091 40.800 0.235 0.000 1.410 143 D HN 0.421 nan 8.370 nan 0.000 0.439 144 A N 1.490 124.309 122.820 -0.001 0.000 2.081 144 A HA 0.130 4.451 4.320 0.001 0.000 0.214 144 A C 0.243 177.607 177.584 -0.366 0.000 1.158 144 A CA 1.042 52.946 52.037 -0.222 0.000 0.724 144 A CB -0.265 18.506 19.000 -0.381 0.000 0.826 144 A HN 0.550 nan 8.150 nan 0.000 0.463 145 H N -2.721 116.381 119.070 0.053 0.000 2.670 145 H HA 0.507 5.064 4.556 0.001 0.000 0.361 145 H C 0.491 175.877 175.328 0.098 0.000 1.169 145 H CA -0.805 55.246 56.048 0.005 0.000 1.198 145 H CB 1.266 31.022 29.762 -0.010 0.000 1.700 145 H HN 0.015 nan 8.280 nan 0.000 0.542 146 L N 0.523 121.889 121.223 0.238 0.000 2.131 146 L HA 0.017 4.358 4.340 0.001 0.000 0.206 146 L C -0.041 176.981 176.870 0.254 0.000 1.087 146 L CA 1.241 56.213 54.840 0.221 0.000 0.767 146 L CB -0.390 41.822 42.059 0.254 0.000 0.917 146 L HN 0.743 nan 8.230 nan 0.000 0.441 147 D N -1.098 119.450 120.400 0.247 0.000 2.699 147 D HA -0.290 4.351 4.640 0.001 0.000 0.239 147 D C -0.014 176.494 176.300 0.347 0.000 1.136 147 D CA 0.880 55.021 54.000 0.234 0.000 0.668 147 D CB -1.610 39.319 40.800 0.217 0.000 1.060 147 D HN 0.359 nan 8.370 nan 0.000 0.429 148 F N 0.021 120.033 119.950 0.104 0.000 2.814 148 F HA 0.149 4.676 4.527 0.001 0.000 0.326 148 F C 0.591 176.406 175.800 0.024 0.000 1.159 148 F CA -0.051 58.000 58.000 0.085 0.000 1.234 148 F CB 0.795 39.852 39.000 0.095 0.000 1.016 148 F HN -0.273 nan 8.300 nan 0.000 0.510 149 T N 0.586 115.146 114.554 0.010 0.000 2.919 149 T HA 0.006 4.357 4.350 0.001 0.000 0.302 149 T C 0.896 175.495 174.700 -0.167 0.000 1.031 149 T CA 0.115 62.184 62.100 -0.050 0.000 1.127 149 T CB 1.263 70.115 68.868 -0.027 0.000 0.952 149 T HN 0.232 nan 8.240 nan 0.000 0.540 150 D N 1.821 122.126 120.400 -0.158 0.000 2.113 150 D HA -0.007 4.634 4.640 0.001 0.000 0.206 150 D C 0.431 176.607 176.300 -0.206 0.000 0.979 150 D CA 1.096 54.972 54.000 -0.207 0.000 0.862 150 D CB 0.253 40.956 40.800 -0.162 0.000 1.013 150 D HN 0.503 nan 8.370 nan 0.000 0.455 151 T N -0.047 114.414 114.554 -0.156 0.000 2.863 151 T HA 0.546 4.897 4.350 0.001 0.000 0.285 151 T C -0.573 174.065 174.700 -0.104 0.000 1.009 151 T CA -0.721 61.286 62.100 -0.154 0.000 0.989 151 T CB 2.418 71.199 68.868 -0.144 0.000 1.004 151 T HN 0.001 nan 8.240 nan 0.000 0.455 152 R N 2.084 122.527 120.500 -0.096 0.000 2.564 152 R HA 0.323 4.663 4.340 0.001 0.000 0.284 152 R C -0.687 175.584 176.300 -0.049 0.000 1.031 152 R CA -0.494 55.569 56.100 -0.060 0.000 0.904 152 R CB 0.635 30.907 30.300 -0.047 0.000 1.199 152 R HN 0.861 nan 8.270 nan 0.000 0.443 153 N N 3.374 122.053 118.700 -0.036 0.000 2.716 153 N HA -0.220 4.521 4.740 0.001 0.000 0.250 153 N C -1.064 174.429 175.510 -0.028 0.000 1.033 153 N CA 1.333 54.368 53.050 -0.024 0.000 0.727 153 N CB -0.673 37.808 38.487 -0.009 0.000 0.950 153 N HN 0.841 nan 8.380 nan 0.000 0.541 154 D N -2.510 117.862 120.400 -0.046 0.000 2.945 154 D HA -0.194 4.446 4.640 0.001 0.000 0.225 154 D C -0.183 176.072 176.300 -0.074 0.000 1.158 154 D CA 1.872 55.839 54.000 -0.054 0.000 0.805 154 D CB -1.066 39.715 40.800 -0.031 0.000 1.098 154 D HN 0.567 nan 8.370 nan 0.000 0.426 155 T N -1.326 113.163 114.554 -0.107 0.000 2.900 155 T HA 0.333 4.683 4.350 0.001 0.000 0.303 155 T C 0.511 175.022 174.700 -0.316 0.000 1.142 155 T CA -0.601 61.395 62.100 -0.173 0.000 1.007 155 T CB 1.779 70.619 68.868 -0.047 0.000 1.156 155 T HN -0.215 nan 8.240 nan 0.000 0.490 156 K N 1.651 121.654 120.400 -0.661 0.000 2.361 156 K HA 0.128 4.449 4.320 0.001 0.000 0.194 156 K C 0.391 176.579 176.600 -0.686 0.000 1.032 156 K CA 0.284 56.072 56.287 -0.832 0.000 1.048 156 K CB 0.404 32.132 32.500 -1.286 0.000 0.842 156 K HN 0.699 nan 8.250 nan 0.000 0.526 157 W N 2.479 123.796 121.300 0.028 0.000 3.067 157 W HA 0.125 4.786 4.660 0.001 0.000 0.417 157 W C 0.785 177.365 176.519 0.102 0.000 1.029 157 W CA -0.754 56.648 57.345 0.094 0.000 1.992 157 W CB -0.106 29.509 29.460 0.259 0.000 1.122 157 W HN -0.155 nan 8.180 nan 0.000 0.681 158 S N 1.442 117.238 115.700 0.160 0.000 2.617 158 S HA -0.030 4.440 4.470 0.001 0.000 0.259 158 S C 1.351 176.019 174.600 0.114 0.000 1.301 158 S CA -0.104 58.179 58.200 0.138 0.000 0.984 158 S CB 0.617 63.850 63.200 0.054 0.000 0.954 158 S HN 0.345 nan 8.310 nan 0.000 0.572 159 N N 0.299 119.068 118.700 0.116 0.000 2.571 159 N HA -0.023 4.717 4.740 0.001 0.000 0.189 159 N C 0.600 176.128 175.510 0.031 0.000 1.154 159 N CA 0.430 53.543 53.050 0.104 0.000 0.907 159 N CB -0.579 37.999 38.487 0.151 0.000 0.977 159 N HN 0.436 nan 8.380 nan 0.000 0.449 160 S N -0.926 114.775 115.700 0.002 0.000 2.556 160 S HA 0.178 4.649 4.470 0.001 0.000 0.216 160 S C 0.766 175.345 174.600 -0.035 0.000 0.970 160 S CA -0.357 57.833 58.200 -0.016 0.000 0.912 160 S CB 0.261 63.447 63.200 -0.024 0.000 0.790 160 S HN 0.355 nan 8.310 nan 0.000 0.504 161 S N 1.460 117.111 115.700 -0.080 0.000 2.666 161 S HA 0.161 4.632 4.470 0.001 0.000 0.239 161 S C -1.420 173.039 174.600 -0.236 0.000 1.031 161 S CA -0.464 57.641 58.200 -0.158 0.000 1.015 161 S CB 0.121 63.203 63.200 -0.197 0.000 0.981 161 S HN 0.368 nan 8.310 nan 0.000 0.547 162 P HA -0.163 nan 4.420 nan 0.000 0.216 162 P C 0.894 177.910 177.300 -0.473 0.000 1.157 162 P CA 1.495 64.344 63.100 -0.418 0.000 0.880 162 P CB -0.251 31.074 31.700 -0.625 0.000 0.791 163 F N -0.636 119.277 119.950 -0.061 0.000 2.456 163 F HA 0.019 4.547 4.527 0.001 0.000 0.298 163 F C 2.849 178.611 175.800 -0.063 0.000 1.104 163 F CA 0.383 58.416 58.000 0.055 0.000 1.435 163 F CB -0.686 38.449 39.000 0.225 0.000 1.078 163 F HN -0.171 nan 8.300 nan 0.000 0.546 164 R N 0.935 121.246 120.500 -0.315 0.000 2.062 164 R HA -0.019 4.322 4.340 0.001 0.000 0.229 164 R C 2.251 178.267 176.300 -0.474 0.000 1.128 164 R CA 1.257 56.850 56.100 -0.844 0.000 0.960 164 R CB -0.331 29.472 30.300 -0.828 0.000 0.855 164 R HN -0.083 nan 8.270 nan 0.000 0.432 165 R N 0.244 120.457 120.500 -0.478 0.000 2.081 165 R HA 0.023 4.364 4.340 0.001 0.000 0.235 165 R C 2.119 178.155 176.300 -0.440 0.000 1.131 165 R CA 1.477 57.182 56.100 -0.658 0.000 0.960 165 R CB -1.041 28.488 30.300 -1.286 0.000 0.856 165 R HN 0.351 nan 8.270 nan 0.000 0.436 166 A N 0.656 123.365 122.820 -0.185 0.000 1.883 166 A HA -0.201 4.120 4.320 0.001 0.000 0.217 166 A C 2.671 180.320 177.584 0.109 0.000 1.186 166 A CA 1.782 53.898 52.037 0.132 0.000 0.624 166 A CB -1.035 18.045 19.000 0.135 0.000 0.822 166 A HN 0.414 nan 8.150 nan 0.000 0.444 167 C N 0.243 119.609 119.300 0.110 0.000 2.429 167 C HA -0.106 4.355 4.460 0.001 0.000 0.277 167 C C 2.668 177.704 174.990 0.076 0.000 1.262 167 C CA 1.187 60.294 59.018 0.150 0.000 1.733 167 C CB -1.342 26.576 27.740 0.295 0.000 2.010 167 C HN 0.830 nan 8.230 nan 0.000 0.483 168 E N 1.321 121.522 120.200 0.000 0.000 2.274 168 E HA -0.023 4.328 4.350 0.001 0.000 0.194 168 E C 1.867 178.485 176.600 0.031 0.000 0.996 168 E CA 1.265 57.660 56.400 -0.008 0.000 0.840 168 E CB -0.218 29.440 29.700 -0.070 0.000 0.772 168 E HN 0.624 nan 8.360 nan 0.000 0.491 169 A N 1.194 124.054 122.820 0.068 0.000 2.147 169 A HA 0.239 4.560 4.320 0.001 0.000 0.211 169 A C 1.078 178.720 177.584 0.096 0.000 1.160 169 A CA 0.008 52.114 52.037 0.115 0.000 0.781 169 A CB 0.220 19.365 19.000 0.242 0.000 0.842 169 A HN 0.160 nan 8.150 nan 0.000 0.475 170 L N 0.655 121.934 121.223 0.093 0.000 2.433 170 L HA 0.300 4.641 4.340 0.001 0.000 0.256 170 L C -1.974 174.945 176.870 0.081 0.000 1.063 170 L CA -1.570 53.320 54.840 0.084 0.000 0.922 170 L CB 1.893 44.005 42.059 0.089 0.000 1.238 170 L HN 0.039 nan 8.230 nan 0.000 0.466 171 P HA -0.148 nan 4.420 nan 0.000 0.225 171 P C 0.764 178.105 177.300 0.069 0.000 1.148 171 P CA 1.071 64.210 63.100 0.065 0.000 0.779 171 P CB 0.090 31.820 31.700 0.050 0.000 0.780 172 N N 0.222 118.964 118.700 0.070 0.000 2.494 172 N HA -0.086 4.655 4.740 0.001 0.000 0.182 172 N C 0.799 176.359 175.510 0.084 0.000 1.076 172 N CA 0.124 53.219 53.050 0.075 0.000 0.908 172 N CB -0.814 37.718 38.487 0.076 0.000 0.967 172 N HN 0.245 nan 8.380 nan 0.000 0.449 173 L N 2.662 123.936 121.223 0.084 0.000 2.404 173 L HA 0.102 4.442 4.340 0.001 0.000 0.277 173 L C 1.305 178.220 176.870 0.075 0.000 1.184 173 L CA -0.410 54.476 54.840 0.077 0.000 1.013 173 L CB 0.605 42.717 42.059 0.088 0.000 1.318 173 L HN -0.026 nan 8.230 nan 0.000 0.435 174 V N 1.121 121.059 119.914 0.040 0.000 2.951 174 V HA 0.098 4.218 4.120 0.001 0.000 0.255 174 V C 0.716 176.819 176.094 0.015 0.000 1.088 174 V CA 0.493 62.809 62.300 0.026 0.000 1.109 174 V CB -0.654 31.173 31.823 0.007 0.000 0.724 174 V HN 0.796 nan 8.190 nan 0.000 0.471 175 H N -0.808 118.084 119.070 -0.297 0.000 3.079 175 H HA 0.614 5.170 4.556 0.001 0.000 0.356 175 H C -1.983 173.035 175.328 -0.516 0.000 1.221 175 H CA -0.790 55.021 56.048 -0.394 0.000 1.185 175 H CB 2.354 31.807 29.762 -0.514 0.000 1.882 175 H HN 0.238 nan 8.280 nan 0.000 0.543 176 I N 3.111 122.865 120.570 -1.360 0.000 2.533 176 I HA 0.188 4.359 4.170 0.001 0.000 0.290 176 I C -0.387 175.238 176.117 -0.819 0.000 1.056 176 I CA -0.590 60.135 61.300 -0.959 0.000 1.057 176 I CB 2.355 39.709 38.000 -1.077 0.000 1.240 176 I HN 0.451 nan 8.210 nan 0.000 0.423 177 T N 3.503 117.850 114.554 -0.344 0.000 2.809 177 T HA 0.346 4.697 4.350 0.001 0.000 0.296 177 T C -0.206 174.403 174.700 -0.152 0.000 1.015 177 T CA -0.431 61.583 62.100 -0.144 0.000 0.954 177 T CB 1.051 69.951 68.868 0.054 0.000 0.950 177 T HN 0.464 nan 8.240 nan 0.000 0.450 178 T N 3.387 117.844 114.554 -0.161 0.000 2.758 178 T HA 0.565 4.915 4.350 0.001 0.000 0.285 178 T C -0.113 174.545 174.700 -0.071 0.000 0.981 178 T CA -0.552 61.471 62.100 -0.128 0.000 0.965 178 T CB 0.997 69.784 68.868 -0.136 0.000 0.927 178 T HN 0.315 nan 8.240 nan 0.000 0.448 179 V N 2.113 121.989 119.914 -0.063 0.000 2.604 179 V HA 0.798 4.918 4.120 0.001 0.000 0.305 179 V C 1.002 177.052 176.094 -0.074 0.000 1.043 179 V CA -0.251 62.012 62.300 -0.062 0.000 0.888 179 V CB 1.322 33.102 31.823 -0.071 0.000 0.995 179 V HN 1.146 nan 8.190 nan 0.000 0.429 180 G N 3.670 112.434 108.800 -0.061 0.000 2.192 180 G HA2 -0.155 3.805 3.960 0.001 0.000 0.193 180 G HA3 -0.155 3.805 3.960 0.001 0.000 0.193 180 G C -0.000 174.887 174.900 -0.021 0.000 0.999 180 G CA -0.400 44.660 45.100 -0.067 0.000 0.659 180 G HN 0.583 nan 8.290 nan 0.000 0.503 181 L N 1.430 122.668 121.223 0.025 0.000 2.540 181 L HA 0.435 4.776 4.340 0.001 0.000 0.276 181 L C 1.212 178.182 176.870 0.166 0.000 1.212 181 L CA 0.660 55.580 54.840 0.134 0.000 0.893 181 L CB 0.210 42.384 42.059 0.193 0.000 1.138 181 L HN 0.645 nan 8.230 nan 0.000 0.491 182 R N 2.117 122.774 120.500 0.263 0.000 2.728 182 R HA 0.848 5.189 4.340 0.001 0.000 0.274 182 R C -0.618 175.809 176.300 0.212 0.000 1.030 182 R CA -0.526 55.710 56.100 0.227 0.000 0.876 182 R CB 1.675 32.015 30.300 0.067 0.000 1.259 182 R HN 0.711 nan 8.270 nan 0.000 0.468 183 G N -0.297 108.622 108.800 0.198 0.000 2.392 183 G HA2 0.022 3.983 3.960 0.001 0.000 0.677 183 G HA3 0.022 3.983 3.960 0.001 0.000 0.677 183 G C -0.249 174.777 174.900 0.210 0.000 1.334 183 G CA -0.423 44.739 45.100 0.103 0.000 0.961 183 G HN 0.446 nan 8.290 nan 0.000 0.616 184 L N -0.607 120.682 121.223 0.109 0.000 2.375 184 L HA 0.305 4.646 4.340 0.001 0.000 0.215 184 L C 1.638 178.602 176.870 0.157 0.000 1.108 184 L CA 0.578 55.491 54.840 0.122 0.000 0.830 184 L CB 0.038 42.134 42.059 0.062 0.000 0.959 184 L HN 0.467 nan 8.230 nan 0.000 0.457 185 R N -0.090 120.469 120.500 0.098 0.000 2.599 185 R HA 0.521 4.862 4.340 0.001 0.000 0.295 185 R C -1.837 174.446 176.300 -0.027 0.000 0.963 185 R CA -0.496 55.656 56.100 0.087 0.000 0.883 185 R CB 1.706 32.009 30.300 0.005 0.000 1.171 185 R HN -0.216 nan 8.270 nan 0.000 0.450 186 F N 1.038 121.007 119.950 0.032 0.000 2.591 186 F HA 0.183 4.711 4.527 0.001 0.000 0.309 186 F C -0.093 175.729 175.800 0.036 0.000 1.098 186 F CA -0.940 57.085 58.000 0.041 0.000 0.937 186 F CB 1.843 40.860 39.000 0.028 0.000 1.250 186 F HN 0.380 nan 8.300 nan 0.000 0.447 187 D N 5.274 125.784 120.400 0.184 0.000 2.342 187 D HA 0.118 4.759 4.640 0.001 0.000 0.260 187 D C -1.473 174.907 176.300 0.134 0.000 1.278 187 D CA -1.830 52.243 54.000 0.121 0.000 0.910 187 D CB 1.332 42.185 40.800 0.089 0.000 1.079 187 D HN 0.170 nan 8.370 nan 0.000 0.496 188 P HA -0.178 nan 4.420 nan 0.000 0.216 188 P C 1.131 178.467 177.300 0.060 0.000 1.150 188 P CA 0.726 63.869 63.100 0.073 0.000 0.837 188 P CB 0.515 32.245 31.700 0.049 0.000 0.786 189 E N 0.588 120.820 120.200 0.054 0.000 2.072 189 E HA -0.136 4.215 4.350 0.001 0.000 0.191 189 E C 2.033 178.682 176.600 0.081 0.000 0.985 189 E CA 1.424 57.851 56.400 0.045 0.000 0.801 189 E CB -0.575 29.138 29.700 0.021 0.000 0.750 189 E HN 0.115 nan 8.360 nan 0.000 0.452 190 A N 0.643 123.531 122.820 0.113 0.000 1.873 190 A HA -0.107 4.214 4.320 0.001 0.000 0.215 190 A C 2.593 180.306 177.584 0.214 0.000 1.186 190 A CA 1.509 53.671 52.037 0.208 0.000 0.616 190 A CB -0.729 18.395 19.000 0.207 0.000 0.823 190 A HN 0.179 nan 8.150 nan 0.000 0.442 191 V N -0.044 119.954 119.914 0.140 0.000 2.392 191 V HA -0.265 3.855 4.120 0.001 0.000 0.249 191 V C 3.024 179.129 176.094 0.018 0.000 1.059 191 V CA 1.980 64.323 62.300 0.072 0.000 1.051 191 V CB -1.213 30.644 31.823 0.057 0.000 0.658 191 V HN 0.620 nan 8.190 nan 0.000 0.455 192 A N -0.040 122.800 122.820 0.033 0.000 1.873 192 A HA -0.055 4.266 4.320 0.001 0.000 0.215 192 A C 2.434 180.020 177.584 0.003 0.000 1.186 192 A CA 1.896 53.937 52.037 0.007 0.000 0.616 192 A CB -0.802 18.206 19.000 0.013 0.000 0.823 192 A HN 0.558 nan 8.150 nan 0.000 0.442 193 A N -0.176 122.686 122.820 0.070 0.000 1.933 193 A HA 0.156 4.477 4.320 0.001 0.000 0.218 193 A C 2.457 180.045 177.584 0.007 0.000 1.175 193 A CA 2.086 54.197 52.037 0.123 0.000 0.628 193 A CB -0.884 18.279 19.000 0.272 0.000 0.814 193 A HN 0.996 nan 8.150 nan 0.000 0.444 194 A N -0.208 122.505 122.820 -0.178 0.000 1.873 194 A HA -0.108 4.213 4.320 0.001 0.000 0.215 194 A C 2.237 179.548 177.584 -0.456 0.000 1.186 194 A CA 1.341 52.962 52.037 -0.692 0.000 0.616 194 A CB -0.433 18.186 19.000 -0.636 0.000 0.823 194 A HN 0.530 nan 8.150 nan 0.000 0.442 195 R N -0.429 119.936 120.500 -0.225 0.000 2.096 195 R HA -0.069 4.271 4.340 0.001 0.000 0.235 195 R C 2.414 178.633 176.300 -0.136 0.000 1.127 195 R CA 1.124 57.135 56.100 -0.147 0.000 0.968 195 R CB -0.455 29.792 30.300 -0.088 0.000 0.861 195 R HN 0.507 nan 8.270 nan 0.000 0.440 196 A N 1.324 124.068 122.820 -0.127 0.000 1.933 196 A HA -0.153 4.168 4.320 0.001 0.000 0.218 196 A C 1.886 179.399 177.584 -0.119 0.000 1.175 196 A CA 1.155 53.137 52.037 -0.092 0.000 0.628 196 A CB -0.269 18.697 19.000 -0.058 0.000 0.814 196 A HN 0.229 nan 8.150 nan 0.000 0.444 197 R N -1.311 119.050 120.500 -0.232 0.000 2.313 197 R HA 0.204 4.545 4.340 0.001 0.000 0.199 197 R C 1.195 177.391 176.300 -0.174 0.000 0.958 197 R CA 0.494 56.438 56.100 -0.259 0.000 1.047 197 R CB -0.134 29.860 30.300 -0.511 0.000 0.955 197 R HN 0.681 nan 8.270 nan 0.000 0.481 198 G N 1.151 109.872 108.800 -0.132 0.000 2.136 198 G HA2 -0.256 3.704 3.960 0.001 0.000 0.242 198 G HA3 -0.256 3.704 3.960 0.001 0.000 0.242 198 G C -0.316 174.653 174.900 0.115 0.000 0.989 198 G CA -0.139 44.971 45.100 0.017 0.000 0.682 198 G HN 0.353 nan 8.290 nan 0.000 0.522 199 H N 0.691 119.628 119.070 -0.222 0.000 2.790 199 H HA 0.447 5.003 4.556 0.001 0.000 0.358 199 H C 0.802 175.972 175.328 -0.262 0.000 1.103 199 H CA 0.714 56.485 56.048 -0.462 0.000 1.426 199 H CB 0.595 30.026 29.762 -0.553 0.000 1.424 199 H HN 0.123 nan 8.280 nan 0.000 0.599 200 T N 4.297 118.766 114.554 -0.141 0.000 2.744 200 T HA 0.406 4.757 4.350 0.001 0.000 0.291 200 T C 0.848 175.502 174.700 -0.076 0.000 0.957 200 T CA -0.501 61.596 62.100 -0.005 0.000 1.002 200 T CB 0.238 69.183 68.868 0.127 0.000 0.919 200 T HN 0.322 nan 8.240 nan 0.000 0.468 201 I N 4.589 125.122 120.570 -0.062 0.000 2.354 201 I HA 0.407 4.578 4.170 0.001 0.000 0.286 201 I C -0.307 175.775 176.117 -0.058 0.000 1.007 201 I CA -0.569 60.688 61.300 -0.070 0.000 1.167 201 I CB 1.043 38.996 38.000 -0.079 0.000 1.320 201 I HN 0.475 nan 8.210 nan 0.000 0.458 202 I N 8.655 129.195 120.570 -0.050 0.000 2.371 202 I HA 0.328 4.499 4.170 0.001 0.000 0.282 202 I C -2.382 173.708 176.117 -0.045 0.000 1.031 202 I CA -1.953 59.320 61.300 -0.045 0.000 1.180 202 I CB 1.318 39.296 38.000 -0.036 0.000 1.336 202 I HN 0.193 nan 8.210 nan 0.000 0.467 203 P HA 0.115 nan 4.420 nan 0.000 0.272 203 P C 0.684 177.963 177.300 -0.034 0.000 1.223 203 P CA -0.463 62.608 63.100 -0.048 0.000 0.784 203 P CB 0.700 32.352 31.700 -0.080 0.000 0.923 204 M N 2.064 121.651 119.600 -0.022 0.000 2.202 204 M HA -0.192 4.289 4.480 0.001 0.000 0.262 204 M C 1.047 177.334 176.300 -0.021 0.000 1.063 204 M CA 1.890 57.175 55.300 -0.024 0.000 1.097 204 M CB -1.209 31.381 32.600 -0.015 0.000 1.382 204 M HN 0.251 nan 8.290 nan 0.000 0.413 205 D N 0.137 120.525 120.400 -0.020 0.000 2.182 205 D HA -0.174 4.467 4.640 0.001 0.000 0.201 205 D C 1.422 177.709 176.300 -0.022 0.000 0.986 205 D CA 1.587 55.575 54.000 -0.019 0.000 0.847 205 D CB -0.360 40.426 40.800 -0.023 0.000 0.942 205 D HN 0.473 nan 8.370 nan 0.000 0.467 206 D N -0.295 120.088 120.400 -0.028 0.000 2.149 206 D HA -0.081 4.560 4.640 0.001 0.000 0.201 206 D C 2.244 178.530 176.300 -0.023 0.000 0.972 206 D CA 0.263 54.247 54.000 -0.026 0.000 0.835 206 D CB 0.044 40.825 40.800 -0.031 0.000 0.966 206 D HN 0.034 nan 8.370 nan 0.000 0.476 207 V N 0.391 120.290 119.914 -0.025 0.000 2.358 207 V HA -0.208 3.913 4.120 0.001 0.000 0.246 207 V C 2.337 178.422 176.094 -0.015 0.000 1.047 207 V CA 1.831 64.116 62.300 -0.024 0.000 1.035 207 V CB -0.734 31.069 31.823 -0.033 0.000 0.658 207 V HN 0.241 nan 8.190 nan 0.000 0.452 208 T N 0.403 114.950 114.554 -0.012 0.000 2.746 208 T HA -0.125 4.226 4.350 0.001 0.000 0.267 208 T C 2.043 176.741 174.700 -0.004 0.000 1.039 208 T CA 1.618 63.715 62.100 -0.005 0.000 1.142 208 T CB -0.357 68.510 68.868 -0.002 0.000 0.866 208 T HN 0.560 nan 8.240 nan 0.000 0.444 209 A N 0.953 123.768 122.820 -0.008 0.000 1.854 209 A HA 0.067 4.387 4.320 0.001 0.000 0.214 209 A C 1.186 178.766 177.584 -0.007 0.000 1.192 209 A CA 1.285 53.317 52.037 -0.008 0.000 0.611 209 A CB -0.073 18.920 19.000 -0.011 0.000 0.832 209 A HN 0.461 nan 8.150 nan 0.000 0.442 210 D N -1.324 119.070 120.400 -0.009 0.000 2.411 210 D HA 0.175 4.816 4.640 0.001 0.000 0.239 210 D C 0.513 176.807 176.300 -0.010 0.000 1.307 210 D CA -0.496 53.499 54.000 -0.008 0.000 0.930 210 D CB 0.221 41.016 40.800 -0.009 0.000 1.395 210 D HN 0.012 nan 8.370 nan 0.000 0.536 211 L N 2.753 123.971 121.223 -0.009 0.000 2.079 211 L HA -0.067 4.274 4.340 0.001 0.000 0.210 211 L C 1.739 178.602 176.870 -0.011 0.000 1.081 211 L CA 2.412 57.245 54.840 -0.011 0.000 0.752 211 L CB -0.983 41.071 42.059 -0.008 0.000 0.896 211 L HN 0.467 nan 8.230 nan 0.000 0.433 212 A N -0.053 122.763 122.820 -0.007 0.000 1.940 212 A HA -0.151 4.170 4.320 0.001 0.000 0.219 212 A C 2.354 179.933 177.584 -0.008 0.000 1.176 212 A CA 1.654 53.687 52.037 -0.006 0.000 0.631 212 A CB -1.278 17.720 19.000 -0.004 0.000 0.814 212 A HN 0.529 nan 8.150 nan 0.000 0.446 213 G N -0.923 107.872 108.800 -0.009 0.000 2.443 213 G HA2 -0.019 3.941 3.960 0.001 0.000 0.219 213 G HA3 -0.019 3.941 3.960 0.001 0.000 0.219 213 G C 1.430 176.324 174.900 -0.011 0.000 1.131 213 G CA 1.127 46.221 45.100 -0.010 0.000 0.775 213 G HN 0.328 nan 8.290 nan 0.000 0.547 214 V N 0.970 120.876 119.914 -0.013 0.000 2.379 214 V HA -0.055 4.066 4.120 0.001 0.000 0.245 214 V C 2.850 178.937 176.094 -0.010 0.000 1.044 214 V CA 1.132 63.423 62.300 -0.014 0.000 1.036 214 V CB -0.374 31.436 31.823 -0.021 0.000 0.664 214 V HN 0.335 nan 8.190 nan 0.000 0.453 215 L N 0.422 121.638 121.223 -0.012 0.000 2.131 215 L HA -0.127 4.214 4.340 0.001 0.000 0.210 215 L C 2.624 179.490 176.870 -0.006 0.000 1.092 215 L CA 1.456 56.290 54.840 -0.010 0.000 0.759 215 L CB -0.813 41.239 42.059 -0.012 0.000 0.903 215 L HN 0.373 nan 8.230 nan 0.000 0.435 216 A N -0.584 122.231 122.820 -0.007 0.000 2.121 216 A HA -0.162 4.159 4.320 0.001 0.000 0.218 216 A C 2.083 179.663 177.584 -0.006 0.000 1.154 216 A CA 1.021 53.054 52.037 -0.007 0.000 0.679 216 A CB -0.263 18.733 19.000 -0.008 0.000 0.795 216 A HN 0.515 nan 8.150 nan 0.000 0.458 217 Q N -0.601 119.198 119.800 -0.002 0.000 2.392 217 Q HA 0.266 4.607 4.340 0.001 0.000 0.203 217 Q C -0.153 175.857 176.000 0.015 0.000 0.917 217 Q CA -0.229 55.576 55.803 0.004 0.000 0.939 217 Q CB 0.105 28.848 28.738 0.007 0.000 1.063 217 Q HN 0.584 nan 8.270 nan 0.000 0.516 218 L N 2.800 124.033 121.223 0.016 0.000 2.464 218 L HA 0.212 4.553 4.340 0.001 0.000 0.264 218 L C -1.776 175.106 176.870 0.019 0.000 1.199 218 L CA -1.853 53.007 54.840 0.033 0.000 0.818 218 L CB -0.162 41.917 42.059 0.034 0.000 1.102 218 L HN -0.021 nan 8.230 nan 0.000 0.473 219 P HA 0.186 nan 4.420 nan 0.000 0.272 219 P C -1.188 176.083 177.300 -0.049 0.000 1.230 219 P CA -0.292 62.804 63.100 -0.007 0.000 0.788 219 P CB 0.742 32.454 31.700 0.019 0.000 0.949 220 R N -0.251 120.202 120.500 -0.078 0.000 2.574 220 R HA 0.506 4.846 4.340 0.001 0.000 0.288 220 R C 0.302 176.542 176.300 -0.099 0.000 1.004 220 R CA -0.254 55.802 56.100 -0.074 0.000 0.895 220 R CB 1.582 31.853 30.300 -0.048 0.000 1.191 220 R HN 0.800 nan 8.270 nan 0.000 0.444 221 G N 2.153 110.897 108.800 -0.093 0.000 2.273 221 G HA2 -0.257 3.704 3.960 0.001 0.000 0.280 221 G HA3 -0.257 3.704 3.960 0.001 0.000 0.280 221 G C -0.145 174.671 174.900 -0.140 0.000 1.047 221 G CA 0.167 45.211 45.100 -0.093 0.000 0.869 221 G HN 0.367 nan 8.290 nan 0.000 0.502 222 Q N -0.627 119.049 119.800 -0.207 0.000 2.378 222 Q HA 0.393 4.734 4.340 0.001 0.000 0.276 222 Q C -0.109 175.753 176.000 -0.231 0.000 1.083 222 Q CA -1.027 54.585 55.803 -0.319 0.000 0.856 222 Q CB 0.813 29.122 28.738 -0.715 0.000 1.383 222 Q HN 0.251 nan 8.270 nan 0.000 0.458 223 N N 0.562 119.148 118.700 -0.191 0.000 2.406 223 N HA 0.274 5.014 4.740 0.001 0.000 0.251 223 N C -0.944 174.512 175.510 -0.090 0.000 1.069 223 N CA 0.034 53.031 53.050 -0.088 0.000 0.947 223 N CB 1.053 39.541 38.487 0.001 0.000 1.111 223 N HN 0.162 nan 8.380 nan 0.000 0.497 224 V N 3.210 123.037 119.914 -0.146 0.000 2.555 224 V HA 0.293 4.414 4.120 0.001 0.000 0.302 224 V C -0.753 175.185 176.094 -0.259 0.000 1.038 224 V CA -0.891 61.293 62.300 -0.192 0.000 0.887 224 V CB 1.593 33.216 31.823 -0.333 0.000 0.991 224 V HN 0.495 nan 8.190 nan 0.000 0.434 225 Y N 4.565 124.690 120.300 -0.293 0.000 2.335 225 Y HA 0.624 5.175 4.550 0.001 0.000 0.338 225 Y C -0.771 175.042 175.900 -0.144 0.000 0.977 225 Y CA -0.941 56.994 58.100 -0.275 0.000 1.114 225 Y CB 1.241 39.522 38.460 -0.298 0.000 1.182 225 Y HN 0.546 nan 8.280 nan 0.000 0.463 226 F N 4.234 123.947 119.950 -0.396 0.000 2.404 226 F HA 0.369 4.897 4.527 0.001 0.000 0.345 226 F C 0.394 176.024 175.800 -0.284 0.000 1.110 226 F CA -0.599 57.261 58.000 -0.233 0.000 1.130 226 F CB 1.480 40.380 39.000 -0.167 0.000 1.129 226 F HN 0.428 nan 8.300 nan 0.000 0.500 227 S N 3.865 119.706 115.700 0.236 0.000 2.707 227 S HA 0.558 5.029 4.470 0.001 0.000 0.312 227 S C -1.098 173.635 174.600 0.223 0.000 1.116 227 S CA -0.579 57.810 58.200 0.315 0.000 1.078 227 S CB 0.782 64.396 63.200 0.690 0.000 0.997 227 S HN 0.348 nan 8.310 nan 0.000 0.477 228 V N 5.233 125.224 119.914 0.128 0.000 2.328 228 V HA 0.391 4.512 4.120 0.001 0.000 0.278 228 V C -0.162 175.964 176.094 0.054 0.000 1.021 228 V CA -0.855 61.496 62.300 0.084 0.000 0.838 228 V CB 1.368 33.242 31.823 0.085 0.000 0.999 228 V HN 0.834 nan 8.190 nan 0.000 0.447 229 D N 3.908 124.339 120.400 0.051 0.000 2.280 229 D HA 0.160 4.800 4.640 0.001 0.000 0.243 229 D C 1.152 177.535 176.300 0.139 0.000 1.129 229 D CA -0.321 53.693 54.000 0.024 0.000 0.848 229 D CB 2.193 43.070 40.800 0.129 0.000 1.107 229 D HN 0.384 nan 8.370 nan 0.000 0.471 230 V N 2.138 122.163 119.914 0.185 0.000 2.688 230 V HA -0.215 3.906 4.120 0.001 0.000 0.256 230 V C 1.283 177.567 176.094 0.317 0.000 1.084 230 V CA 1.995 64.487 62.300 0.321 0.000 1.103 230 V CB -0.771 31.182 31.823 0.216 0.000 0.688 230 V HN 0.560 nan 8.190 nan 0.000 0.480 231 D N 1.066 121.598 120.400 0.220 0.000 2.378 231 D HA 0.073 4.713 4.640 0.001 0.000 0.227 231 D C 1.919 178.295 176.300 0.127 0.000 1.012 231 D CA 0.985 55.107 54.000 0.203 0.000 0.905 231 D CB -0.502 40.450 40.800 0.254 0.000 0.895 231 D HN 0.470 nan 8.370 nan 0.000 0.532 232 G N -0.732 108.100 108.800 0.053 0.000 2.448 232 G HA2 -0.015 3.946 3.960 0.001 0.000 0.218 232 G HA3 -0.015 3.946 3.960 0.001 0.000 0.218 232 G C 0.310 175.082 174.900 -0.213 0.000 1.135 232 G CA -0.161 44.859 45.100 -0.133 0.000 0.784 232 G HN 0.216 nan 8.290 nan 0.000 0.543 233 F N 0.770 120.740 119.950 0.034 0.000 2.406 233 F HA 0.249 4.776 4.527 0.001 0.000 0.327 233 F C 0.857 176.682 175.800 0.042 0.000 1.153 233 F CA -1.064 56.955 58.000 0.032 0.000 1.218 233 F CB 0.644 39.669 39.000 0.041 0.000 1.215 233 F HN -0.116 nan 8.300 nan 0.000 0.570 234 D N 2.531 123.076 120.400 0.242 0.000 2.455 234 D HA 0.018 4.659 4.640 0.001 0.000 0.241 234 D C -1.756 174.633 176.300 0.148 0.000 1.138 234 D CA -1.119 52.971 54.000 0.150 0.000 0.877 234 D CB 1.500 42.374 40.800 0.122 0.000 1.187 234 D HN 0.178 nan 8.370 nan 0.000 0.451 235 P HA -0.089 nan 4.420 nan 0.000 0.221 235 P C 0.753 178.101 177.300 0.081 0.000 1.145 235 P CA 0.964 64.125 63.100 0.101 0.000 0.795 235 P CB 0.202 31.956 31.700 0.089 0.000 0.775 236 A N -0.844 122.020 122.820 0.074 0.000 1.930 236 A HA -0.103 4.218 4.320 0.001 0.000 0.217 236 A C 2.212 179.828 177.584 0.054 0.000 1.175 236 A CA 1.550 53.621 52.037 0.057 0.000 0.627 236 A CB -1.420 17.611 19.000 0.052 0.000 0.815 236 A HN 0.049 nan 8.150 nan 0.000 0.443 237 V N -0.114 119.844 119.914 0.073 0.000 2.331 237 V HA 0.025 4.146 4.120 0.001 0.000 0.242 237 V C 0.696 176.815 176.094 0.042 0.000 1.034 237 V CA 0.956 63.292 62.300 0.060 0.000 1.027 237 V CB -0.256 31.626 31.823 0.098 0.000 0.667 237 V HN 0.432 nan 8.190 nan 0.000 0.457 238 I N 2.295 122.910 120.570 0.074 0.000 2.621 238 I HA 0.257 4.428 4.170 0.001 0.000 0.276 238 I C -1.815 174.352 176.117 0.084 0.000 1.118 238 I CA -1.954 59.385 61.300 0.064 0.000 1.159 238 I CB 0.846 38.892 38.000 0.077 0.000 1.357 238 I HN 0.206 nan 8.210 nan 0.000 0.513 239 P HA -0.007 nan 4.420 nan 0.000 0.231 239 P C 0.937 178.271 177.300 0.058 0.000 1.168 239 P CA 0.554 63.691 63.100 0.062 0.000 0.779 239 P CB 0.579 32.306 31.700 0.045 0.000 0.844 240 G N 0.073 108.904 108.800 0.052 0.000 2.916 240 G HA2 0.280 4.240 3.960 0.001 0.000 0.280 240 G HA3 0.280 4.240 3.960 0.001 0.000 0.280 240 G C -0.482 174.456 174.900 0.064 0.000 0.758 240 G CA 0.271 45.400 45.100 0.047 0.000 1.993 240 G HN 0.225 nan 8.290 nan 0.000 0.564 241 T N -0.145 114.448 114.554 0.066 0.000 2.942 241 T HA 0.344 4.694 4.350 0.001 0.000 0.327 241 T C 1.321 176.062 174.700 0.068 0.000 1.360 241 T CA 0.238 62.388 62.100 0.083 0.000 1.055 241 T CB 1.508 70.450 68.868 0.124 0.000 1.261 241 T HN 0.204 nan 8.240 nan 0.000 0.485 242 S N 2.023 117.761 115.700 0.063 0.000 2.359 242 S HA -0.024 4.447 4.470 0.001 0.000 0.223 242 S C 0.821 175.527 174.600 0.177 0.000 1.039 242 S CA 1.732 59.953 58.200 0.036 0.000 1.042 242 S CB -0.173 63.064 63.200 0.061 0.000 0.915 242 S HN 0.652 nan 8.310 nan 0.000 0.439 243 S N 3.117 118.961 115.700 0.241 0.000 2.150 243 S HA 0.414 4.885 4.470 0.001 0.000 0.171 243 S C -2.631 172.133 174.600 0.273 0.000 1.620 243 S CA -1.094 57.296 58.200 0.316 0.000 1.190 243 S CB 1.611 64.970 63.200 0.265 0.000 1.102 243 S HN 0.524 nan 8.310 nan 0.000 0.464 244 P HA 0.373 nan 4.420 nan 0.000 0.272 244 P C -0.540 176.838 177.300 0.130 0.000 1.223 244 P CA -0.169 63.029 63.100 0.164 0.000 0.784 244 P CB 0.736 32.516 31.700 0.134 0.000 0.923 245 E N 2.067 122.318 120.200 0.085 0.000 2.263 245 E HA 0.382 4.733 4.350 0.001 0.000 0.268 245 E C -2.490 174.135 176.600 0.042 0.000 0.884 245 E CA -2.720 53.704 56.400 0.040 0.000 0.766 245 E CB 1.422 31.101 29.700 -0.035 0.000 1.196 245 E HN 0.290 nan 8.360 nan 0.000 0.416 246 P HA 0.057 nan 4.420 nan 0.000 0.270 246 P C -0.804 176.517 177.300 0.036 0.000 1.227 246 P CA 0.164 63.290 63.100 0.043 0.000 0.788 246 P CB 0.406 32.130 31.700 0.040 0.000 0.926 247 D N -1.071 119.352 120.400 0.038 0.000 2.812 247 D HA -0.123 4.518 4.640 0.001 0.000 0.237 247 D C 0.757 177.073 176.300 0.027 0.000 1.162 247 D CA 1.283 55.303 54.000 0.033 0.000 0.740 247 D CB -1.593 39.223 40.800 0.026 0.000 1.000 247 D HN 0.640 nan 8.370 nan 0.000 0.416 248 G N -0.628 108.195 108.800 0.038 0.000 2.828 248 G HA2 0.669 4.629 3.960 0.001 0.000 0.244 248 G HA3 0.669 4.629 3.960 0.001 0.000 0.244 248 G C 0.300 175.216 174.900 0.026 0.000 1.365 248 G CA -0.934 44.178 45.100 0.021 0.000 1.041 248 G HN 0.201 nan 8.290 nan 0.000 0.560 249 L N 1.008 122.221 121.223 -0.016 0.000 2.426 249 L HA 0.278 4.619 4.340 0.001 0.000 0.271 249 L C 1.388 178.367 176.870 0.181 0.000 1.169 249 L CA -0.520 54.315 54.840 -0.008 0.000 0.836 249 L CB 0.922 42.837 42.059 -0.240 0.000 1.112 249 L HN 0.692 nan 8.230 nan 0.000 0.465 250 T N -1.446 113.213 114.554 0.174 0.000 2.816 250 T HA 0.057 4.408 4.350 0.001 0.000 0.282 250 T C 0.867 175.789 174.700 0.369 0.000 0.993 250 T CA -0.311 61.928 62.100 0.232 0.000 0.994 250 T CB 0.642 69.601 68.868 0.152 0.000 1.025 250 T HN 0.537 nan 8.240 nan 0.000 0.529 251 Y N 1.363 121.773 120.300 0.184 0.000 2.165 251 Y HA -0.042 4.509 4.550 0.001 0.000 0.286 251 Y C 2.685 178.679 175.900 0.157 0.000 1.155 251 Y CA 2.024 60.193 58.100 0.114 0.000 1.164 251 Y CB -0.930 37.484 38.460 -0.076 0.000 0.978 251 Y HN 0.810 nan 8.280 nan 0.000 0.513 252 A N 0.305 123.318 122.820 0.321 0.000 1.908 252 A HA -0.287 4.034 4.320 0.001 0.000 0.218 252 A C 2.091 179.725 177.584 0.083 0.000 1.181 252 A CA 2.133 54.288 52.037 0.197 0.000 0.627 252 A CB -0.796 18.296 19.000 0.153 0.000 0.818 252 A HN 0.700 nan 8.150 nan 0.000 0.445 253 Q N -0.953 118.896 119.800 0.081 0.000 2.046 253 Q HA -0.082 4.258 4.340 0.001 0.000 0.200 253 Q C 2.289 178.273 176.000 -0.028 0.000 0.975 253 Q CA 1.175 56.991 55.803 0.022 0.000 0.836 253 Q CB -0.474 28.274 28.738 0.016 0.000 0.896 253 Q HN 0.678 nan 8.270 nan 0.000 0.428 254 G N 0.914 109.710 108.800 -0.007 0.000 2.421 254 G HA2 -0.299 3.662 3.960 0.001 0.000 0.216 254 G HA3 -0.299 3.662 3.960 0.001 0.000 0.216 254 G C 1.387 176.222 174.900 -0.109 0.000 1.171 254 G CA 1.046 46.081 45.100 -0.108 0.000 0.775 254 G HN 0.184 nan 8.290 nan 0.000 0.543 255 M N 0.587 120.107 119.600 -0.133 0.000 2.117 255 M HA 0.110 4.591 4.480 0.001 0.000 0.262 255 M C 2.358 178.595 176.300 -0.105 0.000 1.065 255 M CA 1.454 56.646 55.300 -0.181 0.000 1.114 255 M CB -0.309 32.157 32.600 -0.222 0.000 1.361 255 M HN 0.140 nan 8.290 nan 0.000 0.408 256 K N -0.379 119.985 120.400 -0.060 0.000 2.103 256 K HA -0.121 4.200 4.320 0.001 0.000 0.207 256 K C 1.882 178.445 176.600 -0.062 0.000 1.048 256 K CA 1.655 57.917 56.287 -0.041 0.000 0.930 256 K CB -0.371 32.119 32.500 -0.017 0.000 0.716 256 K HN 0.402 nan 8.250 nan 0.000 0.444 257 I N 0.932 121.451 120.570 -0.085 0.000 2.252 257 I HA -0.286 3.885 4.170 0.001 0.000 0.245 257 I C 2.130 178.172 176.117 -0.126 0.000 1.102 257 I CA 1.157 62.403 61.300 -0.091 0.000 1.385 257 I CB -0.220 37.714 38.000 -0.109 0.000 1.064 257 I HN 0.115 nan 8.210 nan 0.000 0.414 258 L N 0.483 121.572 121.223 -0.223 0.000 2.056 258 L HA -0.171 4.169 4.340 0.001 0.000 0.207 258 L C 2.871 179.617 176.870 -0.206 0.000 1.078 258 L CA 1.292 55.886 54.840 -0.409 0.000 0.749 258 L CB -0.739 41.011 42.059 -0.514 0.000 0.901 258 L HN 0.226 nan 8.230 nan 0.000 0.433 259 A N 0.115 122.864 122.820 -0.117 0.000 1.902 259 A HA -0.183 4.138 4.320 0.001 0.000 0.217 259 A C 2.542 180.094 177.584 -0.055 0.000 1.181 259 A CA 1.780 53.786 52.037 -0.052 0.000 0.623 259 A CB -0.713 18.270 19.000 -0.028 0.000 0.818 259 A HN 0.402 nan 8.150 nan 0.000 0.443 260 A N -0.117 122.674 122.820 -0.048 0.000 1.877 260 A HA 0.134 4.454 4.320 0.001 0.000 0.216 260 A C 2.520 180.093 177.584 -0.017 0.000 1.186 260 A CA 2.237 54.248 52.037 -0.043 0.000 0.620 260 A CB -1.067 17.917 19.000 -0.027 0.000 0.822 260 A HN 1.096 nan 8.150 nan 0.000 0.443 261 A N -0.411 122.445 122.820 0.060 0.000 1.930 261 A HA 0.228 4.549 4.320 0.001 0.000 0.217 261 A C 2.396 180.073 177.584 0.156 0.000 1.175 261 A CA 1.854 53.982 52.037 0.151 0.000 0.627 261 A CB -0.822 18.394 19.000 0.359 0.000 0.815 261 A HN 1.074 nan 8.150 nan 0.000 0.443 262 A N -0.516 122.431 122.820 0.212 0.000 2.119 262 A HA 0.342 4.662 4.320 0.001 0.000 0.217 262 A C 2.273 179.822 177.584 -0.057 0.000 1.153 262 A CA 1.444 53.568 52.037 0.145 0.000 0.692 262 A CB -0.603 18.526 19.000 0.215 0.000 0.799 262 A HN 0.904 nan 8.150 nan 0.000 0.458 263 A N 0.907 123.595 122.820 -0.220 0.000 2.014 263 A HA -0.045 4.275 4.320 0.001 0.000 0.218 263 A C 1.167 178.617 177.584 -0.222 0.000 1.163 263 A CA 1.433 53.134 52.037 -0.560 0.000 0.652 263 A CB -0.280 18.342 19.000 -0.629 0.000 0.808 263 A HN 0.696 nan 8.150 nan 0.000 0.449 264 N N -1.001 117.633 118.700 -0.108 0.000 2.466 264 N HA 0.167 4.908 4.740 0.001 0.000 0.272 264 N C -1.075 174.400 175.510 -0.058 0.000 1.455 264 N CA -0.490 52.527 53.050 -0.056 0.000 0.875 264 N CB -0.198 38.261 38.487 -0.047 0.000 1.372 264 N HN 0.189 nan 8.380 nan 0.000 0.492 265 N N -0.752 117.909 118.700 -0.066 0.000 2.525 265 N HA 0.336 5.076 4.740 0.001 0.000 0.270 265 N C -1.264 174.183 175.510 -0.104 0.000 1.321 265 N CA -0.283 52.708 53.050 -0.098 0.000 0.797 265 N CB 1.933 40.345 38.487 -0.124 0.000 1.529 265 N HN -0.064 nan 8.380 nan 0.000 0.491 266 T N 0.859 115.342 114.554 -0.118 0.000 2.747 266 T HA 0.247 4.598 4.350 0.001 0.000 0.301 266 T C 0.247 174.860 174.700 -0.145 0.000 0.952 266 T CA -0.357 61.678 62.100 -0.108 0.000 0.983 266 T CB 0.142 68.965 68.868 -0.076 0.000 0.930 266 T HN 0.104 nan 8.240 nan 0.000 0.494 267 V N 5.536 125.344 119.914 -0.176 0.000 2.427 267 V HA 0.085 4.206 4.120 0.001 0.000 0.268 267 V C 1.462 177.483 176.094 -0.122 0.000 1.046 267 V CA -0.111 62.042 62.300 -0.245 0.000 0.970 267 V CB 0.804 32.480 31.823 -0.244 0.000 1.001 267 V HN 0.850 nan 8.190 nan 0.000 0.476 268 V N 2.183 122.066 119.914 -0.052 0.000 3.590 268 V HA 0.723 4.843 4.120 0.001 0.000 0.265 268 V C 0.741 177.010 176.094 0.293 0.000 1.239 268 V CA 0.894 63.286 62.300 0.154 0.000 1.117 268 V CB -0.123 31.880 31.823 0.299 0.000 0.818 268 V HN 0.994 nan 8.190 nan 0.000 0.451 269 G N -0.407 108.440 108.800 0.079 0.000 2.338 269 G HA2 0.532 4.492 3.960 0.001 0.000 0.295 269 G HA3 0.532 4.492 3.960 0.001 0.000 0.295 269 G C -2.113 172.603 174.900 -0.306 0.000 1.461 269 G CA -0.136 44.999 45.100 0.058 0.000 0.817 269 G HN 0.710 nan 8.290 nan 0.000 0.556 270 L N 0.518 121.575 121.223 -0.277 0.000 2.549 270 L HA 0.718 5.058 4.340 0.001 0.000 0.259 270 L C -1.857 174.962 176.870 -0.085 0.000 0.934 270 L CA -0.825 53.864 54.840 -0.252 0.000 0.865 270 L CB 2.425 44.507 42.059 0.037 0.000 1.352 270 L HN 0.904 nan 8.230 nan 0.000 0.410 271 D N 4.091 124.482 120.400 -0.015 0.000 2.527 271 D HA 0.470 5.110 4.640 0.001 0.000 0.233 271 D C -1.468 174.899 176.300 0.112 0.000 1.063 271 D CA -0.538 53.572 54.000 0.184 0.000 0.880 271 D CB 2.298 43.315 40.800 0.362 0.000 1.457 271 D HN 0.433 nan 8.370 nan 0.000 0.475 272 L N 2.490 123.773 121.223 0.101 0.000 2.372 272 L HA 0.583 4.924 4.340 0.001 0.000 0.273 272 L C -0.974 175.932 176.870 0.061 0.000 0.989 272 L CA -0.727 54.158 54.840 0.075 0.000 0.841 272 L CB 0.739 42.842 42.059 0.074 0.000 1.225 272 L HN 0.650 nan 8.230 nan 0.000 0.414 273 V N 2.137 122.055 119.914 0.006 0.000 3.113 273 V HA 0.724 4.844 4.120 0.001 0.000 0.316 273 V C 0.309 176.404 176.094 0.002 0.000 1.125 273 V CA -0.563 61.724 62.300 -0.021 0.000 1.026 273 V CB 1.924 33.655 31.823 -0.153 0.000 1.080 273 V HN 0.748 nan 8.190 nan 0.000 0.444 274 E N -0.675 119.548 120.200 0.039 0.000 3.496 274 E HA -0.196 4.155 4.350 0.001 0.000 0.300 274 E C -0.119 176.533 176.600 0.087 0.000 0.877 274 E CA 0.979 57.423 56.400 0.073 0.000 1.050 274 E CB -1.109 28.642 29.700 0.085 0.000 1.532 274 E HN 0.754 nan 8.360 nan 0.000 0.447 275 L N 0.586 121.861 121.223 0.086 0.000 2.410 275 L HA 0.312 4.652 4.340 0.001 0.000 0.273 275 L C 0.230 177.153 176.870 0.087 0.000 1.152 275 L CA 0.522 55.416 54.840 0.089 0.000 0.855 275 L CB 0.552 42.665 42.059 0.091 0.000 1.129 275 L HN 0.136 nan 8.230 nan 0.000 0.463 276 A N 6.643 129.510 122.820 0.078 0.000 2.586 276 A HA 0.499 4.820 4.320 0.001 0.000 0.320 276 A C -2.059 175.563 177.584 0.064 0.000 1.281 276 A CA -1.202 50.880 52.037 0.075 0.000 0.775 276 A CB 0.749 19.777 19.000 0.048 0.000 1.122 276 A HN 0.597 nan 8.150 nan 0.000 0.470 277 P HA -0.197 nan 4.420 nan 0.000 0.216 277 P C 1.379 178.690 177.300 0.019 0.000 1.150 277 P CA 1.550 64.680 63.100 0.049 0.000 0.837 277 P CB 0.080 31.817 31.700 0.062 0.000 0.786 278 N N 0.111 118.822 118.700 0.018 0.000 2.443 278 N HA -0.128 4.612 4.740 0.001 0.000 0.184 278 N C 1.296 176.798 175.510 -0.014 0.000 1.037 278 N CA 1.105 54.146 53.050 -0.015 0.000 0.896 278 N CB -1.157 37.324 38.487 -0.010 0.000 0.959 278 N HN 0.264 nan 8.380 nan 0.000 0.442 279 L N -0.560 120.662 121.223 -0.002 0.000 2.592 279 L HA 0.191 4.532 4.340 0.001 0.000 0.227 279 L C -0.045 176.826 176.870 0.001 0.000 1.127 279 L CA 0.091 54.926 54.840 -0.009 0.000 0.884 279 L CB -0.027 42.025 42.059 -0.013 0.000 1.065 279 L HN -0.023 nan 8.230 nan 0.000 0.457 280 D N 0.405 120.808 120.400 0.004 0.000 2.363 280 D HA 0.172 4.813 4.640 0.001 0.000 0.258 280 D C -1.762 174.537 176.300 -0.002 0.000 1.259 280 D CA -1.757 52.247 54.000 0.006 0.000 0.921 280 D CB 1.473 42.282 40.800 0.015 0.000 1.201 280 D HN -0.151 nan 8.370 nan 0.000 0.524 281 P HA -0.076 nan 4.420 nan 0.000 0.234 281 P C 1.077 178.370 177.300 -0.012 0.000 1.167 281 P CA 0.703 63.794 63.100 -0.014 0.000 0.763 281 P CB 0.041 31.732 31.700 -0.016 0.000 0.835 282 T N -4.934 109.615 114.554 -0.007 0.000 3.067 282 T HA 0.216 4.567 4.350 0.001 0.000 0.261 282 T C 1.726 176.421 174.700 -0.009 0.000 1.110 282 T CA 0.911 63.006 62.100 -0.009 0.000 1.113 282 T CB -1.013 67.851 68.868 -0.006 0.000 0.917 282 T HN 0.204 nan 8.240 nan 0.000 0.499 283 G N 2.591 111.388 108.800 -0.006 0.000 2.189 283 G HA2 -0.423 3.537 3.960 0.001 0.000 0.267 283 G HA3 -0.423 3.537 3.960 0.001 0.000 0.267 283 G C 1.071 175.968 174.900 -0.005 0.000 0.975 283 G CA 0.775 45.873 45.100 -0.003 0.000 0.644 283 G HN 0.839 nan 8.290 nan 0.000 0.537 284 R N 0.315 120.810 120.500 -0.010 0.000 2.115 284 R HA 0.138 4.479 4.340 0.001 0.000 0.230 284 R C 2.322 178.611 176.300 -0.018 0.000 1.111 284 R CA 1.854 57.941 56.100 -0.020 0.000 0.976 284 R CB -0.606 29.678 30.300 -0.026 0.000 0.870 284 R HN 0.294 nan 8.270 nan 0.000 0.445 285 S N 1.786 117.485 115.700 -0.002 0.000 2.353 285 S HA -0.175 4.296 4.470 0.001 0.000 0.222 285 S C 1.806 176.413 174.600 0.011 0.000 1.035 285 S CA 1.759 59.962 58.200 0.005 0.000 1.025 285 S CB -0.210 63.005 63.200 0.025 0.000 0.902 285 S HN 0.632 nan 8.310 nan 0.000 0.440 286 E N 1.499 121.714 120.200 0.024 0.000 2.152 286 E HA -0.066 4.284 4.350 0.001 0.000 0.192 286 E C 2.082 178.702 176.600 0.033 0.000 0.983 286 E CA 0.706 57.132 56.400 0.042 0.000 0.818 286 E CB -0.626 29.105 29.700 0.053 0.000 0.758 286 E HN 0.440 nan 8.360 nan 0.000 0.467 287 L N 0.110 121.338 121.223 0.008 0.000 2.017 287 L HA -0.182 4.159 4.340 0.001 0.000 0.208 287 L C 2.598 179.455 176.870 -0.021 0.000 1.073 287 L CA 0.791 55.626 54.840 -0.008 0.000 0.745 287 L CB -0.392 41.651 42.059 -0.026 0.000 0.894 287 L HN 0.103 nan 8.230 nan 0.000 0.432 288 L N -1.194 120.005 121.223 -0.040 0.000 2.093 288 L HA -0.150 4.190 4.340 0.001 0.000 0.208 288 L C 2.457 179.359 176.870 0.054 0.000 1.085 288 L CA 1.583 56.392 54.840 -0.052 0.000 0.755 288 L CB -0.593 41.411 42.059 -0.092 0.000 0.904 288 L HN 0.225 nan 8.230 nan 0.000 0.435 289 M N -1.366 118.247 119.600 0.022 0.000 2.319 289 M HA -0.019 4.462 4.480 0.001 0.000 0.265 289 M C 2.382 178.747 176.300 0.108 0.000 1.068 289 M CA 1.387 56.710 55.300 0.038 0.000 1.118 289 M CB -1.294 31.326 32.600 0.033 0.000 1.395 289 M HN 0.278 nan 8.290 nan 0.000 0.435 290 A N 0.175 123.065 122.820 0.116 0.000 1.898 290 A HA -0.164 4.157 4.320 0.001 0.000 0.216 290 A C 2.369 180.035 177.584 0.137 0.000 1.181 290 A CA 1.609 53.749 52.037 0.172 0.000 0.620 290 A CB -0.667 18.402 19.000 0.114 0.000 0.819 290 A HN 0.464 nan 8.150 nan 0.000 0.442 291 R N -0.665 119.883 120.500 0.080 0.000 2.096 291 R HA -0.124 4.217 4.340 0.001 0.000 0.235 291 R C 2.032 178.413 176.300 0.134 0.000 1.127 291 R CA 1.627 57.759 56.100 0.053 0.000 0.968 291 R CB -0.436 29.852 30.300 -0.020 0.000 0.861 291 R HN 0.431 nan 8.270 nan 0.000 0.440 292 L N 0.669 122.014 121.223 0.202 0.000 2.012 292 L HA -0.175 4.166 4.340 0.001 0.000 0.210 292 L C 2.161 179.083 176.870 0.085 0.000 1.073 292 L CA 1.527 56.431 54.840 0.108 0.000 0.748 292 L CB -0.301 41.736 42.059 -0.037 0.000 0.891 292 L HN 0.009 nan 8.230 nan 0.000 0.431 293 V N -0.670 119.334 119.914 0.149 0.000 2.295 293 V HA -0.330 3.791 4.120 0.001 0.000 0.246 293 V C 2.574 178.819 176.094 0.252 0.000 1.049 293 V CA 1.977 64.401 62.300 0.207 0.000 1.024 293 V CB -0.620 31.399 31.823 0.326 0.000 0.648 293 V HN 0.416 nan 8.190 nan 0.000 0.447 294 M N -0.429 119.319 119.600 0.247 0.000 2.117 294 M HA -0.169 4.311 4.480 0.001 0.000 0.262 294 M C 2.175 178.539 176.300 0.107 0.000 1.065 294 M CA 1.658 57.092 55.300 0.224 0.000 1.114 294 M CB -1.259 31.419 32.600 0.130 0.000 1.361 294 M HN 0.510 nan 8.290 nan 0.000 0.408 295 E N -0.343 119.867 120.200 0.016 0.000 2.106 295 E HA -0.138 4.213 4.350 0.001 0.000 0.192 295 E C 1.677 178.316 176.600 0.066 0.000 0.984 295 E CA 1.512 57.905 56.400 -0.012 0.000 0.806 295 E CB 0.209 29.918 29.700 0.015 0.000 0.750 295 E HN 0.415 nan 8.360 nan 0.000 0.458 296 T N 1.243 115.843 114.554 0.076 0.000 2.788 296 T HA -0.117 4.234 4.350 0.001 0.000 0.268 296 T C 1.802 176.617 174.700 0.192 0.000 1.044 296 T CA 0.970 63.115 62.100 0.074 0.000 1.139 296 T CB -0.113 68.765 68.868 0.015 0.000 0.867 296 T HN 0.164 nan 8.240 nan 0.000 0.454 297 L N 0.284 121.668 121.223 0.269 0.000 2.093 297 L HA -0.094 4.247 4.340 0.001 0.000 0.208 297 L C 2.874 180.014 176.870 0.450 0.000 1.085 297 L CA 0.764 55.852 54.840 0.413 0.000 0.755 297 L CB -0.683 41.654 42.059 0.465 0.000 0.904 297 L HN 0.378 nan 8.230 nan 0.000 0.435 298 C N -0.125 119.368 119.300 0.323 0.000 2.413 298 C HA -0.137 4.324 4.460 0.001 0.000 0.276 298 C C 2.772 177.929 174.990 0.279 0.000 1.236 298 C CA 0.604 59.795 59.018 0.290 0.000 1.735 298 C CB -0.657 27.186 27.740 0.171 0.000 2.031 298 C HN 0.506 nan 8.230 nan 0.000 0.474 299 E N 0.508 120.848 120.200 0.232 0.000 2.051 299 E HA -0.138 4.212 4.350 0.001 0.000 0.192 299 E C 2.322 179.096 176.600 0.290 0.000 0.991 299 E CA 1.006 57.550 56.400 0.242 0.000 0.799 299 E CB -0.800 28.987 29.700 0.147 0.000 0.748 299 E HN 0.492 nan 8.360 nan 0.000 0.449 300 V N 0.887 120.945 119.914 0.239 0.000 2.231 300 V HA -0.254 3.867 4.120 0.001 0.000 0.248 300 V C 2.056 178.149 176.094 -0.001 0.000 1.054 300 V CA 1.876 64.240 62.300 0.106 0.000 1.015 300 V CB -0.607 31.241 31.823 0.041 0.000 0.638 300 V HN 0.146 nan 8.190 nan 0.000 0.444 301 F N -0.269 119.767 119.950 0.143 0.000 2.802 301 F HA 0.033 4.561 4.527 0.001 0.000 0.300 301 F C 1.758 177.605 175.800 0.077 0.000 1.168 301 F CA 0.694 58.756 58.000 0.105 0.000 1.433 301 F CB -0.292 38.768 39.000 0.100 0.000 1.115 301 F HN 0.177 nan 8.300 nan 0.000 0.582 302 D N -1.586 118.936 120.400 0.203 0.000 2.350 302 D HA 0.006 4.646 4.640 0.001 0.000 0.213 302 D C 0.343 176.453 176.300 -0.317 0.000 1.031 302 D CA 0.813 54.811 54.000 -0.004 0.000 0.861 302 D CB -0.037 40.773 40.800 0.016 0.000 0.926 302 D HN 0.283 nan 8.370 nan 0.000 0.520 303 H N -1.296 117.800 119.070 0.042 0.000 2.790 303 H HA 0.302 4.858 4.556 0.001 0.000 0.232 303 H C -0.564 174.749 175.328 -0.026 0.000 1.313 303 H CA -0.376 55.680 56.048 0.012 0.000 1.011 303 H CB 0.461 30.231 29.762 0.012 0.000 2.105 303 H HN -0.216 nan 8.280 nan 0.000 0.580 304 V N 1.841 121.771 119.914 0.025 0.000 2.614 304 V HA 0.056 4.177 4.120 0.001 0.000 0.291 304 V C 0.454 176.549 176.094 0.001 0.000 1.049 304 V CA -0.468 61.818 62.300 -0.023 0.000 1.038 304 V CB 0.616 32.415 31.823 -0.040 0.000 0.980 304 V HN 0.231 nan 8.190 nan 0.000 0.481 305 L N 0.000 121.218 121.223 -0.008 0.000 2.949 305 L HA 0.000 4.341 4.340 0.001 0.000 0.249 305 L CA 0.000 54.840 54.840 -0.000 0.000 0.813 305 L CB 0.000 42.055 42.059 -0.006 0.000 0.961 305 L HN 0.000 nan 8.230 nan 0.000 0.502