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 2aun_1_B DATA FIRST_RESID 7 DATA SEQUENCE SDQTWQPIDG RVALIAPASA IATEVLEATL RQLEVHGVDY HLGRHVEARY DATA SEQUENCE RYLAGTVEQR LEDLHNAFDM PDITAVWCLR GGYGCGQLLP GLDWGRLEAA DATA SEQUENCE SPRPLIGFSD ISVLLSAFHR HGLPAIHGPV ATGLGLXXXX XXXEQQERLA DATA SEQUENCE SLASVSRLLA GIDHELPVQH LGGHKQRVEG ALIGGNLTAL ACMAGTLGGL DATA SEQUENCE HAPAGSILVL EDVGEPYYRL ERSLWQLLES IDARQLGAIC LGSFTDCPRK DATA SEQUENCE EVAHSLERIF GEYAAAIEVP LYHHLPSGAG AQNRAWPYGK TAVLEGNRLR DATA SEQUENCE W 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 0.000 174.620 174.600 0.033 0.000 1.055 7 S CA 0.000 58.217 58.200 0.029 0.000 1.107 7 S CB 0.000 63.224 63.200 0.040 0.000 0.593 8 D N 2.432 122.847 120.400 0.025 0.000 2.349 8 D HA 0.085 4.725 4.640 0.000 0.000 0.215 8 D C 1.111 177.437 176.300 0.043 0.000 1.016 8 D CA 0.618 54.629 54.000 0.018 0.000 0.870 8 D CB 0.044 40.843 40.800 -0.001 0.000 0.917 8 D HN 0.474 nan 8.370 nan 0.000 0.524 9 Q N -0.275 119.574 119.800 0.081 0.000 2.425 9 Q HA 0.168 4.508 4.340 0.000 0.000 0.204 9 Q C -0.097 176.046 176.000 0.239 0.000 0.933 9 Q CA 0.454 56.344 55.803 0.145 0.000 0.939 9 Q CB 0.502 29.322 28.738 0.137 0.000 1.044 9 Q HN 0.105 nan 8.270 nan 0.000 0.513 10 T N 1.195 115.858 114.554 0.182 0.000 2.737 10 T HA 0.112 4.462 4.350 0.000 0.000 0.296 10 T C -0.676 174.183 174.700 0.263 0.000 0.922 10 T CA -0.465 61.773 62.100 0.230 0.000 1.079 10 T CB 0.156 69.109 68.868 0.141 0.000 0.892 10 T HN 0.146 nan 8.240 nan 0.000 0.514 11 W N 2.590 123.903 121.300 0.022 0.000 2.150 11 W HA 0.281 4.941 4.660 0.000 0.000 0.341 11 W C 0.739 177.267 176.519 0.016 0.000 1.276 11 W CA -0.630 56.703 57.345 -0.020 0.000 1.238 11 W CB 0.281 29.681 29.460 -0.099 0.000 1.128 11 W HN 0.378 nan 8.180 nan 0.000 0.581 12 Q N 2.278 122.184 119.800 0.177 0.000 2.222 12 Q HA 0.340 4.680 4.340 0.000 0.000 0.252 12 Q C -2.004 174.103 176.000 0.178 0.000 0.926 12 Q CA -2.134 53.751 55.803 0.135 0.000 0.899 12 Q CB 0.383 29.157 28.738 0.060 0.000 1.250 12 Q HN 0.055 nan 8.270 nan 0.000 0.441 13 P HA 0.094 nan 4.420 nan 0.000 0.266 13 P C -0.455 176.921 177.300 0.126 0.000 1.195 13 P CA 0.313 63.503 63.100 0.149 0.000 0.768 13 P CB 0.411 32.174 31.700 0.105 0.000 0.838 14 I N 2.941 123.599 120.570 0.146 0.000 2.304 14 I HA 0.149 4.320 4.170 0.000 0.000 0.291 14 I C 0.329 176.498 176.117 0.087 0.000 1.018 14 I CA -0.621 60.744 61.300 0.108 0.000 1.260 14 I CB 0.609 38.694 38.000 0.143 0.000 1.390 14 I HN 0.161 nan 8.210 nan 0.000 0.475 15 D N 5.882 126.317 120.400 0.058 0.000 2.424 15 D HA 0.328 4.968 4.640 0.000 0.000 0.244 15 D C 0.804 177.129 176.300 0.042 0.000 1.134 15 D CA 0.919 54.946 54.000 0.046 0.000 0.881 15 D CB 1.233 42.053 40.800 0.033 0.000 1.191 15 D HN 0.848 nan 8.370 nan 0.000 0.445 16 G N 2.283 111.105 108.800 0.037 0.000 2.525 16 G HA2 -0.267 3.694 3.960 0.000 0.000 0.248 16 G HA3 -0.267 3.694 3.960 0.000 0.000 0.248 16 G C -0.175 174.753 174.900 0.046 0.000 1.238 16 G CA -0.144 44.974 45.100 0.030 0.000 0.926 16 G HN 0.696 nan 8.290 nan 0.000 0.574 17 R N -1.159 119.367 120.500 0.044 0.000 2.740 17 R HA 0.635 4.975 4.340 0.000 0.000 0.282 17 R C -0.755 175.606 176.300 0.102 0.000 0.969 17 R CA -0.726 55.417 56.100 0.072 0.000 0.918 17 R CB 1.981 32.306 30.300 0.042 0.000 1.175 17 R HN 0.588 nan 8.270 nan 0.000 0.464 18 V N 3.332 123.350 119.914 0.173 0.000 2.370 18 V HA 0.461 4.581 4.120 0.000 0.000 0.279 18 V C 0.084 176.310 176.094 0.220 0.000 1.029 18 V CA -0.748 61.673 62.300 0.203 0.000 0.870 18 V CB 1.250 33.255 31.823 0.304 0.000 0.984 18 V HN 0.914 nan 8.190 nan 0.000 0.451 19 A N 6.653 129.569 122.820 0.160 0.000 2.366 19 A HA 0.734 5.054 4.320 0.000 0.000 0.272 19 A C -0.465 177.191 177.584 0.120 0.000 1.135 19 A CA -0.295 51.835 52.037 0.156 0.000 0.804 19 A CB 0.110 19.175 19.000 0.109 0.000 1.064 19 A HN 0.821 nan 8.150 nan 0.000 0.499 20 L N 4.076 125.336 121.223 0.060 0.000 2.287 20 L HA 0.651 4.991 4.340 0.000 0.000 0.287 20 L C -0.119 176.727 176.870 -0.042 0.000 1.022 20 L CA -0.313 54.523 54.840 -0.007 0.000 0.814 20 L CB 0.985 42.986 42.059 -0.097 0.000 1.217 20 L HN 0.768 nan 8.230 nan 0.000 0.420 21 I N 0.135 120.690 120.570 -0.025 0.000 2.969 21 I HA 0.912 5.082 4.170 0.000 0.000 0.307 21 I C -0.595 175.497 176.117 -0.042 0.000 1.149 21 I CA -0.908 60.375 61.300 -0.029 0.000 1.008 21 I CB 2.505 40.504 38.000 -0.001 0.000 1.232 21 I HN 0.521 nan 8.210 nan 0.000 0.435 22 A N 4.202 126.997 122.820 -0.041 0.000 2.842 22 A HA 0.624 4.944 4.320 0.000 0.000 0.339 22 A C -2.174 175.378 177.584 -0.053 0.000 1.177 22 A CA -1.203 50.805 52.037 -0.049 0.000 0.797 22 A CB -0.106 18.870 19.000 -0.041 0.000 1.094 22 A HN 0.685 nan 8.150 nan 0.000 0.474 23 P HA 0.204 nan 4.420 nan 0.000 0.255 23 P C 0.683 177.917 177.300 -0.111 0.000 1.248 23 P CA 1.157 64.203 63.100 -0.090 0.000 0.807 23 P CB 0.815 32.455 31.700 -0.100 0.000 1.150 24 A N -0.304 122.455 122.820 -0.101 0.000 2.751 24 A HA 0.535 4.855 4.320 0.000 0.000 0.201 24 A C 0.332 177.878 177.584 -0.063 0.000 1.619 24 A CA 0.036 51.998 52.037 -0.124 0.000 1.607 24 A CB -0.394 18.528 19.000 -0.130 0.000 1.580 24 A HN -0.014 nan 8.150 nan 0.000 0.499 25 S N 0.405 116.088 115.700 -0.028 0.000 2.601 25 S HA 0.557 5.027 4.470 0.000 0.000 0.271 25 S C 0.451 175.064 174.600 0.021 0.000 1.305 25 S CA -0.020 58.201 58.200 0.036 0.000 1.022 25 S CB 1.097 64.321 63.200 0.040 0.000 0.940 25 S HN 1.057 nan 8.310 nan 0.000 0.525 26 A N 2.610 125.460 122.820 0.050 0.000 2.466 26 A HA 0.400 4.720 4.320 0.000 0.000 0.238 26 A C -0.053 177.539 177.584 0.012 0.000 1.074 26 A CA -0.080 51.976 52.037 0.030 0.000 0.774 26 A CB -0.116 18.911 19.000 0.044 0.000 1.015 26 A HN 0.633 nan 8.150 nan 0.000 0.498 27 I N 0.855 121.423 120.570 -0.003 0.000 2.441 27 I HA 0.453 4.623 4.170 0.000 0.000 0.295 27 I C 0.786 176.895 176.117 -0.014 0.000 0.994 27 I CA -0.510 60.779 61.300 -0.018 0.000 1.144 27 I CB 0.808 38.785 38.000 -0.038 0.000 1.314 27 I HN 0.723 nan 8.210 nan 0.000 0.445 28 A N 4.333 127.144 122.820 -0.015 0.000 2.440 28 A HA 0.342 4.662 4.320 0.000 0.000 0.251 28 A C 1.304 178.875 177.584 -0.022 0.000 1.089 28 A CA -0.055 51.975 52.037 -0.013 0.000 0.779 28 A CB 0.085 19.079 19.000 -0.010 0.000 1.022 28 A HN 0.862 nan 8.150 nan 0.000 0.492 29 T N 1.178 115.721 114.554 -0.018 0.000 2.684 29 T HA -0.197 4.153 4.350 0.000 0.000 0.267 29 T C 1.752 176.435 174.700 -0.028 0.000 1.036 29 T CA 2.055 64.142 62.100 -0.022 0.000 1.148 29 T CB -0.275 68.584 68.868 -0.015 0.000 0.863 29 T HN 0.933 nan 8.240 nan 0.000 0.436 30 E N 1.063 121.250 120.200 -0.023 0.000 2.150 30 E HA -0.083 4.267 4.350 0.000 0.000 0.193 30 E C 2.074 178.655 176.600 -0.032 0.000 0.985 30 E CA 0.968 57.353 56.400 -0.024 0.000 0.814 30 E CB -0.471 29.219 29.700 -0.017 0.000 0.752 30 E HN 0.329 nan 8.360 nan 0.000 0.466 31 V N 1.207 121.100 119.914 -0.035 0.000 2.453 31 V HA -0.191 3.929 4.120 0.000 0.000 0.247 31 V C 2.349 178.402 176.094 -0.067 0.000 1.048 31 V CA 1.303 63.577 62.300 -0.044 0.000 1.049 31 V CB -0.440 31.360 31.823 -0.038 0.000 0.672 31 V HN 0.231 nan 8.190 nan 0.000 0.457 32 L N 0.396 121.577 121.223 -0.070 0.000 1.994 32 L HA -0.135 4.205 4.340 0.000 0.000 0.208 32 L C 2.512 179.321 176.870 -0.102 0.000 1.071 32 L CA 2.000 56.781 54.840 -0.097 0.000 0.745 32 L CB -0.826 41.183 42.059 -0.084 0.000 0.892 32 L HN 0.245 nan 8.230 nan 0.000 0.431 33 E N 0.059 120.217 120.200 -0.070 0.000 2.110 33 E HA -0.177 4.173 4.350 0.000 0.000 0.193 33 E C 2.213 178.774 176.600 -0.065 0.000 0.988 33 E CA 1.340 57.704 56.400 -0.060 0.000 0.804 33 E CB -0.586 29.092 29.700 -0.036 0.000 0.745 33 E HN 0.640 nan 8.360 nan 0.000 0.458 34 A N 0.714 123.497 122.820 -0.061 0.000 1.930 34 A HA -0.138 4.182 4.320 0.000 0.000 0.217 34 A C 2.441 179.978 177.584 -0.077 0.000 1.175 34 A CA 1.921 53.924 52.037 -0.057 0.000 0.627 34 A CB -0.816 18.158 19.000 -0.043 0.000 0.815 34 A HN 0.235 nan 8.150 nan 0.000 0.443 35 T N 0.690 115.179 114.554 -0.108 0.000 2.684 35 T HA -0.115 4.235 4.350 0.000 0.000 0.267 35 T C 1.796 176.381 174.700 -0.191 0.000 1.036 35 T CA 1.561 63.567 62.100 -0.156 0.000 1.148 35 T CB -0.405 68.339 68.868 -0.207 0.000 0.863 35 T HN 0.390 nan 8.240 nan 0.000 0.436 36 L N 0.325 121.419 121.223 -0.215 0.000 2.083 36 L HA -0.070 4.270 4.340 0.000 0.000 0.209 36 L C 2.960 179.778 176.870 -0.086 0.000 1.083 36 L CA 1.012 55.694 54.840 -0.264 0.000 0.752 36 L CB -0.498 41.427 42.059 -0.223 0.000 0.899 36 L HN 0.080 nan 8.230 nan 0.000 0.433 37 R N -0.001 120.463 120.500 -0.060 0.000 2.081 37 R HA -0.116 4.225 4.340 0.000 0.000 0.235 37 R C 2.231 178.497 176.300 -0.056 0.000 1.131 37 R CA 0.986 57.065 56.100 -0.035 0.000 0.960 37 R CB -0.591 29.685 30.300 -0.039 0.000 0.856 37 R HN 0.416 nan 8.270 nan 0.000 0.436 38 Q N 0.644 120.403 119.800 -0.068 0.000 2.119 38 Q HA 0.004 4.344 4.340 0.000 0.000 0.201 38 Q C 2.384 178.355 176.000 -0.048 0.000 0.972 38 Q CA 0.940 56.698 55.803 -0.075 0.000 0.847 38 Q CB -0.302 28.422 28.738 -0.023 0.000 0.903 38 Q HN 0.344 nan 8.270 nan 0.000 0.433 39 L N 0.513 121.726 121.223 -0.015 0.000 2.079 39 L HA -0.214 4.126 4.340 0.000 0.000 0.210 39 L C 2.181 179.112 176.870 0.101 0.000 1.081 39 L CA 1.262 56.144 54.840 0.069 0.000 0.752 39 L CB -0.304 41.782 42.059 0.046 0.000 0.896 39 L HN 0.267 nan 8.230 nan 0.000 0.433 40 E N -0.613 119.640 120.200 0.087 0.000 2.106 40 E HA -0.178 4.173 4.350 0.000 0.000 0.192 40 E C 2.277 178.854 176.600 -0.039 0.000 0.984 40 E CA 0.991 57.433 56.400 0.071 0.000 0.806 40 E CB -0.058 29.690 29.700 0.080 0.000 0.750 40 E HN 0.209 nan 8.360 nan 0.000 0.458 41 V N 0.884 120.715 119.914 -0.139 0.000 2.324 41 V HA -0.287 3.834 4.120 0.000 0.000 0.250 41 V C 1.432 177.307 176.094 -0.366 0.000 1.060 41 V CA 2.128 64.256 62.300 -0.287 0.000 1.042 41 V CB -0.513 31.039 31.823 -0.451 0.000 0.650 41 V HN 0.352 nan 8.190 nan 0.000 0.450 42 H N -0.684 118.232 119.070 -0.257 0.000 2.533 42 H HA 0.338 4.894 4.556 0.000 0.000 0.271 42 H C 1.652 176.928 175.328 -0.086 0.000 1.000 42 H CA 0.500 56.364 56.048 -0.306 0.000 1.149 42 H CB -0.005 29.315 29.762 -0.736 0.000 1.375 42 H HN 0.511 nan 8.280 nan 0.000 0.582 43 G N 0.819 109.647 108.800 0.046 0.000 2.179 43 G HA2 -0.293 3.667 3.960 0.000 0.000 0.257 43 G HA3 -0.293 3.667 3.960 0.000 0.000 0.257 43 G C -0.016 174.958 174.900 0.125 0.000 1.010 43 G CA 0.371 45.513 45.100 0.070 0.000 0.736 43 G HN 0.243 nan 8.290 nan 0.000 0.513 44 V N 0.908 120.932 119.914 0.184 0.000 2.455 44 V HA 0.336 4.456 4.120 0.000 0.000 0.273 44 V C 0.487 176.717 176.094 0.226 0.000 1.045 44 V CA -0.569 61.879 62.300 0.248 0.000 0.976 44 V CB 1.536 33.576 31.823 0.361 0.000 0.993 44 V HN 0.355 nan 8.190 nan 0.000 0.475 45 D N 4.490 124.975 120.400 0.142 0.000 2.312 45 D HA 0.364 5.004 4.640 0.000 0.000 0.252 45 D C -0.621 175.751 176.300 0.120 0.000 1.150 45 D CA 0.096 54.116 54.000 0.033 0.000 0.870 45 D CB 0.680 41.483 40.800 0.005 0.000 1.153 45 D HN 0.528 nan 8.370 nan 0.000 0.457 46 Y N 0.336 120.689 120.300 0.087 0.000 2.576 46 Y HA 0.479 5.029 4.550 0.001 0.000 0.346 46 Y C -0.882 175.100 175.900 0.137 0.000 1.018 46 Y CA -1.210 56.953 58.100 0.105 0.000 1.050 46 Y CB 1.142 39.650 38.460 0.080 0.000 1.280 46 Y HN 0.367 nan 8.280 nan 0.000 0.474 47 H N 3.009 122.217 119.070 0.230 0.000 2.539 47 H HA 0.452 5.009 4.556 0.001 0.000 0.332 47 H C -1.783 173.667 175.328 0.203 0.000 1.031 47 H CA -0.929 55.209 56.048 0.150 0.000 1.206 47 H CB 1.727 31.531 29.762 0.069 0.000 1.446 47 H HN 0.785 nan 8.280 nan 0.000 0.496 48 L N 5.395 126.584 121.223 -0.057 0.000 2.265 48 L HA 0.340 4.681 4.340 0.000 0.000 0.288 48 L C 0.639 177.294 176.870 -0.359 0.000 1.058 48 L CA 0.038 54.807 54.840 -0.118 0.000 0.809 48 L CB 0.871 42.946 42.059 0.027 0.000 1.179 48 L HN 0.810 nan 8.230 nan 0.000 0.429 49 G N 4.223 112.856 108.800 -0.279 0.000 2.491 49 G HA2 0.101 4.061 3.960 0.000 0.000 0.238 49 G HA3 0.101 4.061 3.960 0.000 0.000 0.238 49 G C 0.779 175.573 174.900 -0.176 0.000 1.277 49 G CA -0.073 44.889 45.100 -0.230 0.000 0.851 49 G HN 0.938 nan 8.290 nan 0.000 0.573 50 R N 0.067 120.450 120.500 -0.195 0.000 2.235 50 R HA 0.008 4.348 4.340 0.000 0.000 0.213 50 R C 0.570 176.616 176.300 -0.423 0.000 1.059 50 R CA 1.280 57.200 56.100 -0.301 0.000 0.997 50 R CB -0.076 30.022 30.300 -0.338 0.000 0.884 50 R HN 0.655 nan 8.270 nan 0.000 0.462 51 H N 0.238 119.283 119.070 -0.041 0.000 2.528 51 H HA 0.117 4.673 4.556 0.000 0.000 0.282 51 H C 1.481 176.784 175.328 -0.042 0.000 1.097 51 H CA 0.100 56.127 56.048 -0.036 0.000 1.121 51 H CB 1.296 31.036 29.762 -0.036 0.000 1.590 51 H HN 0.129 nan 8.280 nan 0.000 0.553 52 V N -1.389 118.534 119.914 0.015 0.000 2.720 52 V HA -0.154 3.966 4.120 0.000 0.000 0.256 52 V C 1.238 177.329 176.094 -0.006 0.000 1.082 52 V CA 1.623 63.917 62.300 -0.010 0.000 1.101 52 V CB -0.048 31.743 31.823 -0.054 0.000 0.693 52 V HN 0.408 nan 8.190 nan 0.000 0.479 53 E N 1.052 121.253 120.200 0.002 0.000 2.463 53 E HA 0.459 4.809 4.350 0.000 0.000 0.193 53 E C 1.077 177.691 176.600 0.024 0.000 1.041 53 E CA 0.316 56.718 56.400 0.003 0.000 0.879 53 E CB 0.466 30.162 29.700 -0.007 0.000 0.997 53 E HN 0.753 nan 8.360 nan 0.000 0.478 54 A N 1.851 124.700 122.820 0.049 0.000 2.425 54 A HA 0.304 4.625 4.320 0.000 0.000 0.242 54 A C 0.110 177.722 177.584 0.047 0.000 1.077 54 A CA 0.181 52.253 52.037 0.059 0.000 0.781 54 A CB 0.365 19.410 19.000 0.076 0.000 1.020 54 A HN 0.113 nan 8.150 nan 0.000 0.494 55 R N -0.157 120.378 120.500 0.057 0.000 2.574 55 R HA 0.449 4.789 4.340 0.000 0.000 0.288 55 R C -2.136 174.231 176.300 0.111 0.000 1.004 55 R CA -0.458 55.676 56.100 0.057 0.000 0.895 55 R CB 1.996 32.312 30.300 0.026 0.000 1.191 55 R HN 0.727 nan 8.270 nan 0.000 0.444 56 Y N 4.717 124.973 120.300 -0.074 0.000 2.344 56 Y HA 0.164 4.715 4.550 0.001 0.000 0.328 56 Y C 0.355 176.142 175.900 -0.188 0.000 1.067 56 Y CA -0.620 57.416 58.100 -0.106 0.000 1.247 56 Y CB 0.420 38.823 38.460 -0.095 0.000 1.113 56 Y HN 0.836 nan 8.280 nan 0.000 0.465 57 R N 1.516 121.726 120.500 -0.484 0.000 3.682 57 R HA -0.405 3.935 4.340 0.000 0.000 0.519 57 R C -0.025 176.078 176.300 -0.328 0.000 0.241 57 R CA 2.385 58.180 56.100 -0.509 0.000 1.619 57 R CB -1.701 28.097 30.300 -0.837 0.000 0.923 57 R HN 0.698 nan 8.270 nan 0.000 0.598 58 Y N 0.705 121.005 120.300 0.001 0.000 2.529 58 Y HA 0.503 5.053 4.550 -0.000 0.000 0.290 58 Y C 1.062 176.990 175.900 0.047 0.000 1.177 58 Y CA -0.489 57.629 58.100 0.029 0.000 1.305 58 Y CB -0.172 38.314 38.460 0.044 0.000 1.047 58 Y HN 0.173 nan 8.280 nan 0.000 0.522 59 L N 1.024 122.318 121.223 0.118 0.000 2.418 59 L HA 0.527 4.867 4.340 0.000 0.000 0.265 59 L C 0.789 177.704 176.870 0.074 0.000 1.143 59 L CA -0.881 54.035 54.840 0.127 0.000 0.809 59 L CB 0.903 43.033 42.059 0.119 0.000 1.124 59 L HN 0.162 nan 8.230 nan 0.000 0.456 60 A N 2.517 125.359 122.820 0.036 0.000 3.063 60 A HA 0.534 4.855 4.320 0.000 0.000 0.263 60 A C 0.800 178.388 177.584 0.007 0.000 1.736 60 A CA 0.447 52.496 52.037 0.019 0.000 1.408 60 A CB -1.457 17.540 19.000 -0.004 0.000 1.108 60 A HN 0.989 nan 8.150 nan 0.000 0.621 61 G N 0.330 109.150 108.800 0.033 0.000 2.757 61 G HA2 0.116 4.076 3.960 0.000 0.000 0.638 61 G HA3 0.116 4.076 3.960 0.000 0.000 0.638 61 G C 0.116 174.951 174.900 -0.108 0.000 1.344 61 G CA -0.232 44.855 45.100 -0.021 0.000 0.855 61 G HN 1.847 nan 8.290 nan 0.000 0.537 62 T N -2.062 112.318 114.554 -0.289 0.000 2.802 62 T HA 0.434 4.784 4.350 0.000 0.000 0.305 62 T C 1.843 176.391 174.700 -0.253 0.000 1.053 62 T CA 0.419 62.263 62.100 -0.427 0.000 1.058 62 T CB 1.305 69.868 68.868 -0.509 0.000 0.988 62 T HN 1.498 nan 8.240 nan 0.000 0.539 63 V N 1.725 121.510 119.914 -0.214 0.000 2.324 63 V HA -0.173 3.947 4.120 0.000 0.000 0.250 63 V C 2.777 178.777 176.094 -0.156 0.000 1.060 63 V CA 2.317 64.526 62.300 -0.152 0.000 1.042 63 V CB -1.142 30.613 31.823 -0.114 0.000 0.650 63 V HN 0.884 nan 8.190 nan 0.000 0.450 64 E N -0.159 119.936 120.200 -0.175 0.000 2.077 64 E HA -0.222 4.128 4.350 0.000 0.000 0.193 64 E C 2.292 178.770 176.600 -0.203 0.000 0.989 64 E CA 1.273 57.580 56.400 -0.155 0.000 0.800 64 E CB -0.318 29.292 29.700 -0.151 0.000 0.746 64 E HN 0.667 nan 8.360 nan 0.000 0.452 65 Q N 0.063 119.675 119.800 -0.312 0.000 2.050 65 Q HA -0.097 4.243 4.340 0.000 0.000 0.202 65 Q C 2.264 178.100 176.000 -0.274 0.000 0.980 65 Q CA 1.269 56.756 55.803 -0.528 0.000 0.840 65 Q CB -0.119 28.237 28.738 -0.637 0.000 0.898 65 Q HN 0.171 nan 8.270 nan 0.000 0.424 66 R N 0.229 120.623 120.500 -0.177 0.000 2.075 66 R HA -0.076 4.265 4.340 0.000 0.000 0.232 66 R C 2.316 178.549 176.300 -0.110 0.000 1.126 66 R CA 0.934 56.970 56.100 -0.108 0.000 0.963 66 R CB -0.262 29.972 30.300 -0.111 0.000 0.858 66 R HN 0.229 nan 8.270 nan 0.000 0.435 67 L N 0.486 121.631 121.223 -0.129 0.000 2.083 67 L HA -0.187 4.154 4.340 0.000 0.000 0.209 67 L C 2.523 179.356 176.870 -0.062 0.000 1.083 67 L CA 1.346 56.090 54.840 -0.160 0.000 0.752 67 L CB -0.364 41.653 42.059 -0.071 0.000 0.899 67 L HN 0.270 nan 8.230 nan 0.000 0.433 68 E N 0.159 120.371 120.200 0.022 0.000 2.058 68 E HA -0.260 4.090 4.350 0.000 0.000 0.194 68 E C 1.665 178.342 176.600 0.128 0.000 0.997 68 E CA 1.653 58.122 56.400 0.115 0.000 0.801 68 E CB 0.136 29.906 29.700 0.117 0.000 0.746 68 E HN 0.410 nan 8.360 nan 0.000 0.450 69 D N 0.135 120.600 120.400 0.109 0.000 2.117 69 D HA -0.147 4.493 4.640 0.000 0.000 0.198 69 D C 1.810 178.152 176.300 0.070 0.000 0.982 69 D CA 0.486 54.545 54.000 0.099 0.000 0.828 69 D CB -0.212 40.636 40.800 0.080 0.000 0.967 69 D HN 0.146 nan 8.370 nan 0.000 0.464 70 L N 0.525 121.744 121.223 -0.007 0.000 2.027 70 L HA -0.131 4.210 4.340 0.000 0.000 0.206 70 L C 1.836 178.762 176.870 0.093 0.000 1.074 70 L CA 1.934 56.776 54.840 0.004 0.000 0.745 70 L CB -1.046 40.922 42.059 -0.151 0.000 0.898 70 L HN 0.158 nan 8.230 nan 0.000 0.433 71 H N -0.972 118.161 119.070 0.105 0.000 2.353 71 H HA -0.155 4.402 4.556 0.001 0.000 0.300 71 H C 2.169 177.599 175.328 0.171 0.000 1.090 71 H CA 1.521 57.629 56.048 0.099 0.000 1.327 71 H CB -0.063 29.702 29.762 0.004 0.000 1.383 71 H HN 0.458 nan 8.280 nan 0.000 0.508 72 N N 1.122 119.973 118.700 0.250 0.000 2.166 72 N HA -0.156 4.584 4.740 0.000 0.000 0.186 72 N C 1.963 177.600 175.510 0.212 0.000 1.019 72 N CA 1.052 54.229 53.050 0.211 0.000 0.856 72 N CB -0.069 38.538 38.487 0.200 0.000 0.993 72 N HN 0.379 nan 8.380 nan 0.000 0.426 73 A N -0.265 122.686 122.820 0.218 0.000 2.070 73 A HA -0.063 4.257 4.320 0.000 0.000 0.220 73 A C 1.542 179.089 177.584 -0.063 0.000 1.159 73 A CA 0.820 52.926 52.037 0.116 0.000 0.656 73 A CB -0.679 18.372 19.000 0.086 0.000 0.800 73 A HN 0.380 nan 8.150 nan 0.000 0.453 74 F N -0.516 119.494 119.950 0.100 0.000 2.749 74 F HA 0.086 4.613 4.527 0.000 0.000 0.300 74 F C 1.426 177.264 175.800 0.064 0.000 1.103 74 F CA 0.287 58.338 58.000 0.085 0.000 1.342 74 F CB 0.407 39.459 39.000 0.086 0.000 1.098 74 F HN 0.161 nan 8.300 nan 0.000 0.586 75 D N -0.193 120.311 120.400 0.172 0.000 2.240 75 D HA 0.037 4.678 4.640 0.000 0.000 0.206 75 D C 1.092 177.415 176.300 0.038 0.000 0.963 75 D CA 0.715 54.776 54.000 0.101 0.000 0.863 75 D CB 0.054 40.907 40.800 0.088 0.000 0.973 75 D HN 0.124 nan 8.370 nan 0.000 0.501 76 M N 2.297 121.899 119.600 0.003 0.000 2.217 76 M HA 0.100 4.580 4.480 0.000 0.000 0.352 76 M C -1.502 174.773 176.300 -0.042 0.000 1.376 76 M CA -1.068 54.200 55.300 -0.053 0.000 1.107 76 M CB 0.700 33.220 32.600 -0.133 0.000 1.723 76 M HN -0.220 nan 8.290 nan 0.000 0.461 77 P HA -0.104 nan 4.420 nan 0.000 0.225 77 P C 0.468 177.753 177.300 -0.025 0.000 1.156 77 P CA 1.173 64.261 63.100 -0.020 0.000 0.787 77 P CB -0.112 31.581 31.700 -0.012 0.000 0.802 78 D N -1.054 119.323 120.400 -0.039 0.000 2.339 78 D HA -0.019 4.621 4.640 0.000 0.000 0.217 78 D C 0.572 176.857 176.300 -0.025 0.000 1.050 78 D CA -0.063 53.920 54.000 -0.029 0.000 0.856 78 D CB -0.435 40.345 40.800 -0.033 0.000 0.922 78 D HN 0.066 nan 8.370 nan 0.000 0.518 79 I N 2.125 122.671 120.570 -0.040 0.000 2.471 79 I HA 0.078 4.248 4.170 0.000 0.000 0.286 79 I C 1.368 177.457 176.117 -0.046 0.000 1.079 79 I CA 0.246 61.522 61.300 -0.040 0.000 1.398 79 I CB 1.065 39.020 38.000 -0.076 0.000 1.403 79 I HN 0.031 nan 8.210 nan 0.000 0.530 80 T N 1.657 116.198 114.554 -0.022 0.000 3.040 80 T HA 0.609 4.960 4.350 0.000 0.000 0.266 80 T C 0.309 174.992 174.700 -0.029 0.000 1.005 80 T CA -0.094 61.994 62.100 -0.019 0.000 0.906 80 T CB 0.514 69.383 68.868 0.002 0.000 1.082 80 T HN 0.695 nan 8.240 nan 0.000 0.531 81 A N 0.438 123.239 122.820 -0.033 0.000 2.594 81 A HA 0.672 4.993 4.320 0.000 0.000 0.296 81 A C -1.594 175.976 177.584 -0.023 0.000 1.061 81 A CA -0.724 51.288 52.037 -0.043 0.000 0.689 81 A CB 1.607 20.576 19.000 -0.053 0.000 1.280 81 A HN 0.302 nan 8.150 nan 0.000 0.406 82 V N 1.848 121.744 119.914 -0.029 0.000 2.325 82 V HA 0.368 4.488 4.120 0.000 0.000 0.280 82 V C -1.143 175.006 176.094 0.090 0.000 1.016 82 V CA -0.382 61.928 62.300 0.017 0.000 0.818 82 V CB 1.101 32.908 31.823 -0.027 0.000 1.019 82 V HN 0.801 nan 8.190 nan 0.000 0.434 83 W N 5.837 127.105 121.300 -0.053 0.000 2.291 83 W HA 0.488 5.148 4.660 0.001 0.000 0.312 83 W C 0.032 176.510 176.519 -0.068 0.000 1.061 83 W CA -1.535 55.772 57.345 -0.063 0.000 1.296 83 W CB 1.187 30.622 29.460 -0.042 0.000 1.223 83 W HN 0.501 nan 8.180 nan 0.000 0.421 84 C N 6.654 126.121 119.300 0.277 0.000 2.653 84 C HA 0.038 4.499 4.460 0.000 0.000 0.421 84 C C 2.190 177.182 174.990 0.004 0.000 1.334 84 C CA -0.226 58.839 59.018 0.079 0.000 1.885 84 C CB -0.282 27.467 27.740 0.015 0.000 2.645 84 C HN 0.715 nan 8.230 nan 0.000 0.601 85 L N 1.673 122.847 121.223 -0.081 0.000 2.131 85 L HA 0.074 4.414 4.340 0.000 0.000 0.206 85 L C 1.391 178.196 176.870 -0.107 0.000 1.087 85 L CA 1.344 56.093 54.840 -0.152 0.000 0.767 85 L CB -0.223 41.752 42.059 -0.139 0.000 0.917 85 L HN 0.679 nan 8.230 nan 0.000 0.441 86 R N -1.638 118.817 120.500 -0.075 0.000 2.643 86 R HA 0.396 4.736 4.340 0.000 0.000 0.269 86 R C -0.180 176.065 176.300 -0.092 0.000 1.037 86 R CA -0.031 56.028 56.100 -0.069 0.000 0.894 86 R CB 1.593 31.858 30.300 -0.059 0.000 1.238 86 R HN -0.007 nan 8.270 nan 0.000 0.459 87 G N 0.591 109.309 108.800 -0.137 0.000 3.348 87 G HA2 0.489 4.450 3.960 0.000 0.000 0.180 87 G HA3 0.489 4.450 3.960 0.000 0.000 0.180 87 G C 0.637 175.463 174.900 -0.124 0.000 1.915 87 G CA 0.439 45.430 45.100 -0.180 0.000 0.937 87 G HN 1.026 nan 8.290 nan 0.000 0.564 88 G N -0.970 107.753 108.800 -0.129 0.000 3.675 88 G HA2 -0.061 3.900 3.960 0.000 0.000 0.275 88 G HA3 -0.061 3.900 3.960 0.000 0.000 0.275 88 G C -0.081 174.841 174.900 0.036 0.000 1.648 88 G CA 1.018 46.088 45.100 -0.050 0.000 1.093 88 G HN 1.783 nan 8.290 nan 0.000 0.617 89 Y N 0.672 120.928 120.300 -0.073 0.000 2.480 89 Y HA 0.546 5.097 4.550 0.001 0.000 0.329 89 Y C 0.596 176.499 175.900 0.005 0.000 1.127 89 Y CA 0.796 58.867 58.100 -0.049 0.000 1.037 89 Y CB 1.345 39.757 38.460 -0.081 0.000 1.320 89 Y HN 2.094 nan 8.280 nan 0.000 0.446 90 G N 1.490 109.701 108.800 -0.981 0.000 2.485 90 G HA2 -0.253 3.708 3.960 0.000 0.000 0.181 90 G HA3 -0.253 3.708 3.960 0.000 0.000 0.181 90 G C 1.063 175.708 174.900 -0.425 0.000 0.999 90 G CA 0.226 44.764 45.100 -0.937 0.000 0.721 90 G HN 1.485 nan 8.290 nan 0.000 0.486 91 C N 1.361 120.496 119.300 -0.273 0.000 2.448 91 C HA 0.456 4.917 4.460 0.000 0.000 0.280 91 C C 2.883 177.806 174.990 -0.112 0.000 1.398 91 C CA 1.435 60.354 59.018 -0.165 0.000 1.774 91 C CB -1.167 26.491 27.740 -0.136 0.000 1.888 91 C HN 0.888 nan 8.230 nan 0.000 0.519 92 G N 0.163 108.908 108.800 -0.091 0.000 2.448 92 G HA2 -0.140 3.821 3.960 0.000 0.000 0.219 92 G HA3 -0.140 3.821 3.960 0.000 0.000 0.219 92 G C 1.704 176.596 174.900 -0.013 0.000 1.127 92 G CA 0.671 45.764 45.100 -0.012 0.000 0.766 92 G HN 0.764 nan 8.290 nan 0.000 0.552 93 Q N -0.322 119.440 119.800 -0.064 0.000 2.297 93 Q HA 0.037 4.377 4.340 0.000 0.000 0.208 93 Q C 2.342 178.315 176.000 -0.045 0.000 0.981 93 Q CA 0.616 56.393 55.803 -0.043 0.000 0.876 93 Q CB -0.196 28.497 28.738 -0.074 0.000 0.921 93 Q HN 0.479 nan 8.270 nan 0.000 0.446 94 L N -0.041 121.142 121.223 -0.067 0.000 2.395 94 L HA -0.066 4.274 4.340 0.000 0.000 0.218 94 L C 2.025 178.855 176.870 -0.068 0.000 1.130 94 L CA 0.318 55.105 54.840 -0.088 0.000 0.826 94 L CB -0.324 41.658 42.059 -0.127 0.000 0.941 94 L HN 0.271 nan 8.230 nan 0.000 0.451 95 L N 0.532 121.753 121.223 -0.003 0.000 2.079 95 L HA -0.144 4.196 4.340 0.000 0.000 0.210 95 L C -0.266 176.644 176.870 0.067 0.000 1.081 95 L CA 1.271 56.152 54.840 0.069 0.000 0.752 95 L CB -1.619 40.529 42.059 0.147 0.000 0.896 95 L HN 0.278 nan 8.230 nan 0.000 0.433 96 P HA -0.025 nan 4.420 nan 0.000 0.242 96 P C 1.035 178.335 177.300 0.000 0.000 1.197 96 P CA 0.936 64.060 63.100 0.041 0.000 0.765 96 P CB 0.023 31.745 31.700 0.035 0.000 0.936 97 G N -1.417 107.357 108.800 -0.044 0.000 3.228 97 G HA2 0.173 4.133 3.960 0.000 0.000 0.245 97 G HA3 0.173 4.133 3.960 0.000 0.000 0.245 97 G C 0.136 174.988 174.900 -0.081 0.000 1.051 97 G CA -0.103 44.966 45.100 -0.052 0.000 0.809 97 G HN 0.152 nan 8.290 nan 0.000 0.531 98 L N 1.556 122.629 121.223 -0.251 0.000 2.367 98 L HA 0.262 4.602 4.340 0.000 0.000 0.275 98 L C -0.340 176.211 176.870 -0.532 0.000 1.129 98 L CA -0.567 53.985 54.840 -0.480 0.000 0.839 98 L CB 1.314 42.690 42.059 -1.138 0.000 1.133 98 L HN -0.043 nan 8.230 nan 0.000 0.453 99 D N 2.750 123.017 120.400 -0.221 0.000 2.494 99 D HA 0.029 4.669 4.640 0.000 0.000 0.217 99 D C 0.627 176.742 176.300 -0.308 0.000 1.153 99 D CA -0.190 53.640 54.000 -0.283 0.000 0.954 99 D CB 0.359 40.949 40.800 -0.349 0.000 1.034 99 D HN 0.363 nan 8.370 nan 0.000 0.518 100 W N 2.387 123.590 121.300 -0.162 0.000 2.342 100 W HA -0.077 4.583 4.660 0.000 0.000 0.297 100 W C 2.442 178.864 176.519 -0.162 0.000 1.213 100 W CA 0.763 57.961 57.345 -0.245 0.000 1.251 100 W CB -0.185 29.115 29.460 -0.266 0.000 1.136 100 W HN 0.472 nan 8.180 nan 0.000 0.526 101 G N 0.402 109.263 108.800 0.103 0.000 2.418 101 G HA2 -0.247 3.713 3.960 0.000 0.000 0.217 101 G HA3 -0.247 3.713 3.960 0.000 0.000 0.217 101 G C 1.522 176.429 174.900 0.011 0.000 1.158 101 G CA 0.826 45.958 45.100 0.053 0.000 0.771 101 G HN 0.202 nan 8.290 nan 0.000 0.545 102 R N -0.730 119.751 120.500 -0.032 0.000 2.148 102 R HA 0.028 4.368 4.340 0.000 0.000 0.227 102 R C 2.324 178.622 176.300 -0.004 0.000 1.103 102 R CA 0.543 56.630 56.100 -0.021 0.000 0.983 102 R CB -0.261 30.007 30.300 -0.053 0.000 0.874 102 R HN 0.267 nan 8.270 nan 0.000 0.451 103 L N 0.756 121.909 121.223 -0.117 0.000 2.131 103 L HA -0.077 4.263 4.340 0.000 0.000 0.206 103 L C 1.837 178.698 176.870 -0.016 0.000 1.087 103 L CA 1.652 56.358 54.840 -0.224 0.000 0.767 103 L CB -0.471 41.210 42.059 -0.629 0.000 0.917 103 L HN 0.100 nan 8.230 nan 0.000 0.441 104 E N -0.546 119.665 120.200 0.018 0.000 2.208 104 E HA -0.083 4.267 4.350 0.000 0.000 0.193 104 E C 2.167 178.809 176.600 0.070 0.000 0.988 104 E CA 0.862 57.293 56.400 0.052 0.000 0.828 104 E CB -0.142 29.588 29.700 0.049 0.000 0.763 104 E HN 0.459 nan 8.360 nan 0.000 0.478 105 A N 1.348 124.209 122.820 0.068 0.000 2.067 105 A HA 0.234 4.554 4.320 0.000 0.000 0.217 105 A C 1.353 178.991 177.584 0.090 0.000 1.156 105 A CA 0.535 52.612 52.037 0.067 0.000 0.683 105 A CB -0.058 18.972 19.000 0.050 0.000 0.808 105 A HN 0.223 nan 8.150 nan 0.000 0.455 106 A N 0.698 123.604 122.820 0.142 0.000 2.351 106 A HA 0.516 4.836 4.320 0.000 0.000 0.257 106 A C 0.888 178.550 177.584 0.131 0.000 1.087 106 A CA 0.211 52.344 52.037 0.161 0.000 0.798 106 A CB -0.083 19.090 19.000 0.288 0.000 1.033 106 A HN 0.989 nan 8.150 nan 0.000 0.488 107 S N 1.726 117.476 115.700 0.084 0.000 2.573 107 S HA 0.327 4.797 4.470 0.000 0.000 0.277 107 S C -2.568 172.076 174.600 0.075 0.000 1.346 107 S CA -0.837 57.402 58.200 0.064 0.000 1.034 107 S CB -0.357 62.865 63.200 0.037 0.000 0.879 107 S HN 0.498 nan 8.310 nan 0.000 0.528 108 P HA 0.151 nan 4.420 nan 0.000 0.264 108 P C -0.521 176.812 177.300 0.055 0.000 1.193 108 P CA 0.070 63.223 63.100 0.088 0.000 0.763 108 P CB 0.112 31.855 31.700 0.071 0.000 0.810 109 R N 2.129 122.673 120.500 0.074 0.000 2.921 109 R HA 0.391 4.732 4.340 0.000 0.000 0.269 109 R C -3.222 173.116 176.300 0.063 0.000 1.696 109 R CA -1.978 54.121 56.100 -0.001 0.000 1.161 109 R CB 0.390 30.599 30.300 -0.152 0.000 1.337 109 R HN 0.158 nan 8.270 nan 0.000 0.496 110 P HA -0.074 nan 4.420 nan 0.000 0.265 110 P C -0.478 176.827 177.300 0.008 0.000 1.193 110 P CA -0.340 62.793 63.100 0.054 0.000 0.765 110 P CB 0.537 32.221 31.700 -0.028 0.000 0.823 111 L N 5.291 126.528 121.223 0.023 0.000 2.331 111 L HA 0.371 4.711 4.340 0.000 0.000 0.278 111 L C -0.597 176.148 176.870 -0.208 0.000 1.106 111 L CA 0.188 54.950 54.840 -0.130 0.000 0.824 111 L CB -0.052 41.733 42.059 -0.456 0.000 1.142 111 L HN 0.236 nan 8.230 nan 0.000 0.443 112 I N 5.266 125.717 120.570 -0.197 0.000 2.436 112 I HA 0.845 5.015 4.170 0.000 0.000 0.289 112 I C 0.386 176.437 176.117 -0.110 0.000 1.010 112 I CA -0.183 60.964 61.300 -0.255 0.000 1.098 112 I CB 1.642 39.331 38.000 -0.518 0.000 1.266 112 I HN 0.757 nan 8.210 nan 0.000 0.434 113 G N 4.758 113.466 108.800 -0.154 0.000 2.321 113 G HA2 0.528 4.488 3.960 0.000 0.000 0.296 113 G HA3 0.528 4.488 3.960 0.000 0.000 0.296 113 G C -1.616 173.207 174.900 -0.128 0.000 1.287 113 G CA -0.587 44.492 45.100 -0.036 0.000 0.846 113 G HN 0.646 nan 8.290 nan 0.000 0.508 114 F N -1.602 118.145 119.950 -0.339 0.000 3.129 114 F HA 0.817 5.344 4.527 0.000 0.000 0.326 114 F C 0.671 176.340 175.800 -0.219 0.000 1.202 114 F CA 0.422 58.145 58.000 -0.461 0.000 0.929 114 F CB 1.151 39.771 39.000 -0.633 0.000 1.473 114 F HN 2.032 nan 8.300 nan 0.000 0.512 115 S N 0.661 115.963 115.700 -0.663 0.000 3.820 115 S HA -0.393 4.077 4.470 0.000 0.000 0.628 115 S C 0.930 175.357 174.600 -0.288 0.000 2.302 115 S CA 1.677 59.506 58.200 -0.618 0.000 3.868 115 S CB -2.169 60.453 63.200 -0.964 0.000 0.241 115 S HN 1.366 nan 8.310 nan 0.000 0.946 116 D N 0.638 120.894 120.400 -0.240 0.000 2.190 116 D HA -0.099 4.541 4.640 0.000 0.000 0.200 116 D C 1.949 178.169 176.300 -0.133 0.000 0.992 116 D CA 1.992 55.916 54.000 -0.127 0.000 0.854 116 D CB -0.265 40.476 40.800 -0.099 0.000 0.936 116 D HN 0.447 nan 8.370 nan 0.000 0.462 117 I N 0.548 121.005 120.570 -0.188 0.000 2.567 117 I HA -0.180 3.990 4.170 0.000 0.000 0.257 117 I C 2.239 178.243 176.117 -0.188 0.000 1.184 117 I CA 0.721 61.910 61.300 -0.185 0.000 1.451 117 I CB -1.389 36.495 38.000 -0.193 0.000 1.089 117 I HN 0.014 nan 8.210 nan 0.000 0.441 118 S N 0.999 116.608 115.700 -0.151 0.000 2.400 118 S HA -0.180 4.290 4.470 0.000 0.000 0.234 118 S C 2.287 176.839 174.600 -0.080 0.000 1.049 118 S CA 1.483 59.628 58.200 -0.092 0.000 1.039 118 S CB -0.543 62.689 63.200 0.053 0.000 0.856 118 S HN 0.340 nan 8.310 nan 0.000 0.465 119 V N 1.665 121.555 119.914 -0.040 0.000 2.295 119 V HA -0.163 3.957 4.120 0.000 0.000 0.246 119 V C 2.167 178.260 176.094 -0.002 0.000 1.049 119 V CA 1.606 63.912 62.300 0.009 0.000 1.024 119 V CB -0.645 31.190 31.823 0.021 0.000 0.648 119 V HN 0.429 nan 8.190 nan 0.000 0.447 120 L N -0.814 120.368 121.223 -0.069 0.000 2.093 120 L HA -0.139 4.202 4.340 0.000 0.000 0.208 120 L C 2.372 179.148 176.870 -0.157 0.000 1.085 120 L CA 1.207 56.004 54.840 -0.072 0.000 0.755 120 L CB -0.425 41.511 42.059 -0.206 0.000 0.904 120 L HN 0.319 nan 8.230 nan 0.000 0.435 121 L N -1.076 119.941 121.223 -0.343 0.000 2.012 121 L HA -0.260 4.080 4.340 0.000 0.000 0.210 121 L C 2.837 179.428 176.870 -0.465 0.000 1.073 121 L CA 1.626 56.101 54.840 -0.608 0.000 0.748 121 L CB -0.845 40.563 42.059 -1.085 0.000 0.891 121 L HN 0.278 nan 8.230 nan 0.000 0.431 122 S N -0.049 115.489 115.700 -0.270 0.000 2.356 122 S HA -0.203 4.267 4.470 0.000 0.000 0.223 122 S C 2.141 176.885 174.600 0.241 0.000 1.032 122 S CA 1.331 59.640 58.200 0.182 0.000 1.005 122 S CB -0.156 63.187 63.200 0.239 0.000 0.867 122 S HN 0.421 nan 8.310 nan 0.000 0.449 123 A N 0.354 123.303 122.820 0.214 0.000 1.933 123 A HA 0.076 4.396 4.320 0.000 0.000 0.218 123 A C 1.901 179.646 177.584 0.268 0.000 1.175 123 A CA 1.395 53.576 52.037 0.240 0.000 0.628 123 A CB -0.985 18.241 19.000 0.377 0.000 0.814 123 A HN 0.583 nan 8.150 nan 0.000 0.444 124 F N -0.502 119.531 119.950 0.139 0.000 2.102 124 F HA -0.134 4.394 4.527 0.001 0.000 0.298 124 F C 2.269 178.173 175.800 0.174 0.000 1.105 124 F CA 1.341 59.446 58.000 0.175 0.000 1.239 124 F CB -1.090 38.003 39.000 0.156 0.000 0.991 124 F HN 0.543 nan 8.300 nan 0.000 0.474 125 H N 0.003 119.242 119.070 0.282 0.000 2.352 125 H HA -0.202 4.355 4.556 0.000 0.000 0.299 125 H C 2.657 177.977 175.328 -0.014 0.000 1.097 125 H CA 1.503 57.702 56.048 0.250 0.000 1.311 125 H CB -0.061 30.004 29.762 0.505 0.000 1.377 125 H HN 0.129 nan 8.280 nan 0.000 0.504 126 R N -0.150 120.186 120.500 -0.273 0.000 2.127 126 R HA -0.166 4.175 4.340 0.000 0.000 0.238 126 R C 0.872 176.725 176.300 -0.744 0.000 1.134 126 R CA 1.952 57.523 56.100 -0.880 0.000 0.975 126 R CB -0.148 29.726 30.300 -0.710 0.000 0.865 126 R HN 0.508 nan 8.270 nan 0.000 0.447 127 H N -1.551 117.243 119.070 -0.461 0.000 2.517 127 H HA 0.257 4.813 4.556 0.000 0.000 0.282 127 H C 0.650 175.854 175.328 -0.207 0.000 1.023 127 H CA 0.596 56.378 56.048 -0.444 0.000 1.169 127 H CB 1.017 30.311 29.762 -0.781 0.000 1.454 127 H HN 0.516 nan 8.280 nan 0.000 0.556 128 G N 0.843 109.617 108.800 -0.044 0.000 2.198 128 G HA2 -0.288 3.672 3.960 0.000 0.000 0.260 128 G HA3 -0.288 3.672 3.960 0.000 0.000 0.260 128 G C -0.154 174.800 174.900 0.091 0.000 1.025 128 G CA 0.090 45.218 45.100 0.047 0.000 0.769 128 G HN 0.313 nan 8.290 nan 0.000 0.507 129 L N 0.144 121.439 121.223 0.121 0.000 2.322 129 L HA 0.497 4.837 4.340 0.000 0.000 0.279 129 L C -1.731 175.308 176.870 0.282 0.000 1.036 129 L CA -2.504 52.432 54.840 0.160 0.000 0.807 129 L CB 1.487 43.534 42.059 -0.019 0.000 1.226 129 L HN -0.118 nan 8.230 nan 0.000 0.433 130 P HA 0.241 nan 4.420 nan 0.000 0.267 130 P C -1.111 176.338 177.300 0.248 0.000 1.200 130 P CA -0.072 63.155 63.100 0.212 0.000 0.772 130 P CB 0.781 32.577 31.700 0.159 0.000 0.855 131 A N 2.401 125.300 122.820 0.133 0.000 2.599 131 A HA 0.703 5.024 4.320 0.000 0.000 0.294 131 A C -1.561 176.000 177.584 -0.038 0.000 1.055 131 A CA -0.464 51.597 52.037 0.041 0.000 0.683 131 A CB 0.935 19.957 19.000 0.037 0.000 1.278 131 A HN 0.401 nan 8.150 nan 0.000 0.412 132 I N 2.176 122.653 120.570 -0.156 0.000 2.533 132 I HA 0.299 4.469 4.170 0.000 0.000 0.290 132 I C -0.631 175.280 176.117 -0.342 0.000 1.056 132 I CA -0.581 60.574 61.300 -0.243 0.000 1.057 132 I CB 2.080 39.910 38.000 -0.283 0.000 1.240 132 I HN 0.831 nan 8.210 nan 0.000 0.423 133 H N 5.442 124.119 119.070 -0.656 0.000 2.782 133 H HA 0.656 5.212 4.556 0.000 0.000 0.285 133 H C -0.503 174.408 175.328 -0.695 0.000 1.093 133 H CA 0.059 55.589 56.048 -0.864 0.000 1.410 133 H CB 0.929 29.503 29.762 -1.980 0.000 1.439 133 H HN 0.855 nan 8.280 nan 0.000 0.469 134 G N 4.709 113.229 108.800 -0.466 0.000 2.550 134 G HA2 0.226 4.186 3.960 0.000 0.000 0.293 134 G HA3 0.226 4.186 3.960 0.000 0.000 0.293 134 G C -3.212 171.531 174.900 -0.262 0.000 1.402 134 G CA -1.307 43.598 45.100 -0.325 0.000 0.784 134 G HN 0.338 nan 8.290 nan 0.000 0.482 135 P HA 0.217 nan 4.420 nan 0.000 0.264 135 P C 0.700 178.215 177.300 0.359 0.000 1.179 135 P CA -0.114 62.968 63.100 -0.030 0.000 0.763 135 P CB 0.568 32.292 31.700 0.039 0.000 0.806 136 V N 0.139 120.297 119.914 0.407 0.000 3.003 136 V HA 0.397 4.517 4.120 0.000 0.000 0.305 136 V C 1.445 177.553 176.094 0.024 0.000 1.078 136 V CA 0.343 62.815 62.300 0.288 0.000 1.083 136 V CB 0.159 32.068 31.823 0.144 0.000 1.039 136 V HN 0.622 nan 8.190 nan 0.000 0.481 137 A N 2.171 124.705 122.820 -0.478 0.000 2.015 137 A HA -0.065 4.255 4.320 0.000 0.000 0.219 137 A C 2.130 179.440 177.584 -0.457 0.000 1.163 137 A CA 1.980 53.421 52.037 -0.993 0.000 0.646 137 A CB -1.182 17.000 19.000 -1.363 0.000 0.806 137 A HN 1.423 nan 8.150 nan 0.000 0.448 138 T N -2.829 111.572 114.554 -0.255 0.000 3.098 138 T HA 0.080 4.430 4.350 0.000 0.000 0.266 138 T C 1.678 176.334 174.700 -0.074 0.000 1.145 138 T CA 1.082 63.092 62.100 -0.149 0.000 1.092 138 T CB -0.547 68.260 68.868 -0.101 0.000 0.908 138 T HN 0.389 nan 8.240 nan 0.000 0.526 139 G N 1.819 110.597 108.800 -0.037 0.000 2.479 139 G HA2 -0.084 3.876 3.960 0.000 0.000 0.220 139 G HA3 -0.084 3.876 3.960 0.000 0.000 0.220 139 G C 1.355 176.269 174.900 0.023 0.000 1.115 139 G CA 0.587 45.702 45.100 0.025 0.000 0.757 139 G HN 0.576 nan 8.290 nan 0.000 0.560 140 L N 0.251 121.465 121.223 -0.015 0.000 2.291 140 L HA 0.114 4.454 4.340 0.000 0.000 0.214 140 L C 2.555 179.424 176.870 -0.003 0.000 1.120 140 L CA 0.809 55.661 54.840 0.020 0.000 0.799 140 L CB -0.022 42.028 42.059 -0.015 0.000 0.925 140 L HN 0.296 nan 8.230 nan 0.000 0.446 141 G N -0.827 107.953 108.800 -0.034 0.000 3.502 141 G HA2 0.346 4.306 3.960 0.000 0.000 0.267 141 G HA3 0.346 4.306 3.960 0.000 0.000 0.267 141 G C 0.536 175.425 174.900 -0.018 0.000 1.090 141 G CA -0.368 44.711 45.100 -0.036 0.000 0.795 141 G HN 0.010 nan 8.290 nan 0.000 0.535 151 Q N 1.748 121.567 119.800 0.032 0.000 2.135 151 Q HA -0.136 4.204 4.340 0.000 0.000 0.204 151 Q C 2.038 178.066 176.000 0.045 0.000 0.981 151 Q CA 1.851 57.677 55.803 0.038 0.000 0.856 151 Q CB 0.091 28.851 28.738 0.036 0.000 0.902 151 Q HN 0.127 nan 8.270 nan 0.000 0.425 152 Q N 0.225 120.050 119.800 0.040 0.000 2.084 152 Q HA -0.166 4.174 4.340 0.000 0.000 0.202 152 Q C 1.961 177.987 176.000 0.043 0.000 0.978 152 Q CA 1.672 57.502 55.803 0.044 0.000 0.844 152 Q CB -0.139 28.621 28.738 0.035 0.000 0.898 152 Q HN 0.614 nan 8.270 nan 0.000 0.426 153 E N 0.410 120.629 120.200 0.032 0.000 2.077 153 E HA -0.190 4.161 4.350 0.000 0.000 0.193 153 E C 2.106 178.721 176.600 0.026 0.000 0.989 153 E CA 0.834 57.249 56.400 0.024 0.000 0.800 153 E CB -0.095 29.615 29.700 0.017 0.000 0.746 153 E HN 0.202 nan 8.360 nan 0.000 0.452 154 R N 0.915 121.436 120.500 0.034 0.000 2.073 154 R HA -0.146 4.194 4.340 0.000 0.000 0.234 154 R C 2.275 178.613 176.300 0.062 0.000 1.134 154 R CA 1.128 57.251 56.100 0.039 0.000 0.952 154 R CB -0.233 30.095 30.300 0.046 0.000 0.850 154 R HN 0.162 nan 8.270 nan 0.000 0.433 155 L N 0.403 121.677 121.223 0.086 0.000 2.083 155 L HA -0.113 4.227 4.340 0.000 0.000 0.209 155 L C 2.755 179.696 176.870 0.118 0.000 1.083 155 L CA 1.262 56.185 54.840 0.138 0.000 0.752 155 L CB -0.533 41.614 42.059 0.147 0.000 0.899 155 L HN 0.352 nan 8.230 nan 0.000 0.433 156 A N -0.692 122.168 122.820 0.066 0.000 1.930 156 A HA -0.166 4.154 4.320 0.000 0.000 0.217 156 A C 2.509 180.080 177.584 -0.021 0.000 1.175 156 A CA 1.909 53.963 52.037 0.028 0.000 0.627 156 A CB -0.508 18.503 19.000 0.019 0.000 0.815 156 A HN 0.363 nan 8.150 nan 0.000 0.443 157 S N 0.036 115.727 115.700 -0.015 0.000 2.356 157 S HA -0.117 4.353 4.470 0.000 0.000 0.223 157 S C 1.815 176.368 174.600 -0.079 0.000 1.032 157 S CA 1.570 59.740 58.200 -0.050 0.000 1.005 157 S CB -0.478 62.694 63.200 -0.048 0.000 0.867 157 S HN 0.508 nan 8.310 nan 0.000 0.449 158 L N 1.180 122.391 121.223 -0.020 0.000 2.083 158 L HA -0.090 4.250 4.340 0.000 0.000 0.209 158 L C 2.714 179.372 176.870 -0.353 0.000 1.083 158 L CA 1.159 55.992 54.840 -0.012 0.000 0.752 158 L CB -0.630 41.545 42.059 0.193 0.000 0.899 158 L HN 0.312 nan 8.230 nan 0.000 0.433 159 A N -0.032 122.552 122.820 -0.393 0.000 2.015 159 A HA -0.193 4.128 4.320 0.000 0.000 0.219 159 A C 2.514 179.735 177.584 -0.606 0.000 1.163 159 A CA 1.649 53.175 52.037 -0.852 0.000 0.646 159 A CB -0.639 18.188 19.000 -0.287 0.000 0.806 159 A HN 0.519 nan 8.150 nan 0.000 0.448 160 S N -0.372 115.122 115.700 -0.342 0.000 2.442 160 S HA -0.104 4.367 4.470 0.000 0.000 0.236 160 S C 1.687 176.109 174.600 -0.297 0.000 1.007 160 S CA 1.319 59.378 58.200 -0.234 0.000 0.965 160 S CB -0.755 62.372 63.200 -0.122 0.000 0.773 160 S HN 0.241 nan 8.310 nan 0.000 0.504 161 V N 2.905 122.549 119.914 -0.449 0.000 2.244 161 V HA -0.160 3.960 4.120 0.000 0.000 0.244 161 V C 3.179 178.970 176.094 -0.504 0.000 1.042 161 V CA 2.061 64.027 62.300 -0.556 0.000 1.006 161 V CB -1.371 29.915 31.823 -0.896 0.000 0.641 161 V HN 0.811 nan 8.190 nan 0.000 0.446 162 S N 0.644 115.998 115.700 -0.576 0.000 2.383 162 S HA -0.268 4.202 4.470 0.000 0.000 0.229 162 S C 2.038 176.518 174.600 -0.199 0.000 1.030 162 S CA 1.660 59.655 58.200 -0.342 0.000 1.002 162 S CB -0.546 62.487 63.200 -0.280 0.000 0.829 162 S HN 0.578 nan 8.310 nan 0.000 0.467 163 R N 0.166 120.540 120.500 -0.210 0.000 2.092 163 R HA 0.158 4.499 4.340 0.000 0.000 0.231 163 R C 2.347 178.622 176.300 -0.041 0.000 1.119 163 R CA 1.177 57.221 56.100 -0.094 0.000 0.970 163 R CB -0.520 29.727 30.300 -0.088 0.000 0.864 163 R HN 0.386 nan 8.270 nan 0.000 0.440 164 L N 0.836 122.019 121.223 -0.066 0.000 2.109 164 L HA -0.036 4.304 4.340 0.000 0.000 0.207 164 L C 1.810 178.666 176.870 -0.024 0.000 1.086 164 L CA 1.473 56.316 54.840 0.006 0.000 0.760 164 L CB -0.246 41.798 42.059 -0.025 0.000 0.910 164 L HN 0.123 nan 8.230 nan 0.000 0.437 165 L N -0.439 120.726 121.223 -0.097 0.000 2.127 165 L HA -0.179 4.161 4.340 0.000 0.000 0.211 165 L C 2.410 179.266 176.870 -0.024 0.000 1.089 165 L CA 1.174 55.966 54.840 -0.080 0.000 0.757 165 L CB -0.714 41.271 42.059 -0.125 0.000 0.899 165 L HN 0.389 nan 8.230 nan 0.000 0.434 166 A N -0.861 121.952 122.820 -0.012 0.000 2.178 166 A HA 0.263 4.583 4.320 0.000 0.000 0.211 166 A C 1.745 179.353 177.584 0.040 0.000 1.157 166 A CA 0.753 52.800 52.037 0.016 0.000 0.780 166 A CB -0.265 18.746 19.000 0.019 0.000 0.828 166 A HN 0.502 nan 8.150 nan 0.000 0.476 167 G N -0.159 108.678 108.800 0.061 0.000 2.136 167 G HA2 -0.295 3.666 3.960 0.000 0.000 0.242 167 G HA3 -0.295 3.666 3.960 0.000 0.000 0.242 167 G C 0.713 175.686 174.900 0.122 0.000 0.989 167 G CA 0.664 45.828 45.100 0.107 0.000 0.682 167 G HN 1.351 nan 8.290 nan 0.000 0.522 168 I N -3.235 117.395 120.570 0.100 0.000 3.728 168 I HA 0.431 4.601 4.170 0.000 0.000 0.307 168 I C -0.229 175.942 176.117 0.090 0.000 1.276 168 I CA -0.143 61.214 61.300 0.095 0.000 1.285 168 I CB 0.311 38.343 38.000 0.053 0.000 1.038 168 I HN -0.081 nan 8.210 nan 0.000 0.445 169 D N 1.722 122.178 120.400 0.094 0.000 2.362 169 D HA 0.351 4.991 4.640 0.000 0.000 0.247 169 D C 0.080 176.373 176.300 -0.012 0.000 1.050 169 D CA -0.130 53.856 54.000 -0.024 0.000 0.839 169 D CB 0.927 41.743 40.800 0.026 0.000 1.283 169 D HN 0.419 nan 8.370 nan 0.000 0.477 170 H N -0.142 118.660 119.070 -0.447 0.000 2.985 170 H HA 0.242 4.798 4.556 0.001 0.000 0.246 170 H C -0.531 173.759 175.328 -1.730 0.000 1.181 170 H CA -0.474 54.833 56.048 -1.234 0.000 0.972 170 H CB 0.970 30.327 29.762 -0.675 0.000 2.016 170 H HN 0.525 nan 8.280 nan 0.000 0.672 171 E N 1.042 120.410 120.200 -1.386 0.000 2.407 171 E HA 0.599 4.949 4.350 0.000 0.000 0.279 171 E C -1.885 174.436 176.600 -0.466 0.000 1.012 171 E CA -1.027 54.825 56.400 -0.914 0.000 0.800 171 E CB 2.332 31.701 29.700 -0.552 0.000 1.276 171 E HN 0.095 nan 8.360 nan 0.000 0.452 172 L N 1.021 122.115 121.223 -0.215 0.000 2.409 172 L HA 0.581 4.921 4.340 0.000 0.000 0.262 172 L C -2.462 174.368 176.870 -0.067 0.000 0.992 172 L CA -2.396 52.407 54.840 -0.061 0.000 0.817 172 L CB 2.661 44.762 42.059 0.069 0.000 1.350 172 L HN 0.499 nan 8.230 nan 0.000 0.411 173 P HA 0.222 nan 4.420 nan 0.000 0.275 173 P C -1.128 176.164 177.300 -0.014 0.000 1.228 173 P CA -0.171 62.909 63.100 -0.032 0.000 0.786 173 P CB 2.397 34.081 31.700 -0.026 0.000 0.927 174 V N 2.542 122.460 119.914 0.007 0.000 3.147 174 V HA 0.291 4.411 4.120 0.000 0.000 0.299 174 V C -1.421 174.738 176.094 0.109 0.000 1.302 174 V CA -0.603 61.722 62.300 0.042 0.000 1.015 174 V CB 2.617 34.446 31.823 0.010 0.000 1.086 174 V HN 0.520 nan 8.190 nan 0.000 0.437 175 Q N 2.992 122.874 119.800 0.137 0.000 2.337 175 Q HA 0.481 4.821 4.340 0.000 0.000 0.266 175 Q C -0.971 175.212 176.000 0.305 0.000 1.023 175 Q CA -0.545 55.371 55.803 0.188 0.000 0.829 175 Q CB 2.297 31.097 28.738 0.102 0.000 1.306 175 Q HN 0.863 nan 8.270 nan 0.000 0.449 176 H N 2.088 121.174 119.070 0.027 0.000 2.690 176 H HA 0.248 4.804 4.556 0.000 0.000 0.314 176 H C -1.050 174.141 175.328 -0.229 0.000 1.069 176 H CA -0.834 54.977 56.048 -0.396 0.000 1.436 176 H CB 0.735 30.214 29.762 -0.472 0.000 1.462 176 H HN 0.338 nan 8.280 nan 0.000 0.511 177 L N 6.780 127.959 121.223 -0.073 0.000 2.259 177 L HA 0.275 4.615 4.340 0.000 0.000 0.288 177 L C 0.688 177.395 176.870 -0.272 0.000 1.051 177 L CA 1.166 55.856 54.840 -0.250 0.000 0.824 177 L CB 0.071 41.847 42.059 -0.471 0.000 1.206 177 L HN 1.101 nan 8.230 nan 0.000 0.429 178 G N 3.350 111.968 108.800 -0.303 0.000 2.569 178 G HA2 0.206 4.166 3.960 0.000 0.000 0.259 178 G HA3 0.206 4.166 3.960 0.000 0.000 0.259 178 G C 0.603 175.209 174.900 -0.490 0.000 1.263 178 G CA -0.241 44.680 45.100 -0.299 0.000 0.928 178 G HN 1.986 nan 8.290 nan 0.000 0.572 179 G N -0.711 107.908 108.800 -0.302 0.000 2.528 179 G HA2 0.290 4.251 3.960 0.000 0.000 0.262 179 G HA3 0.290 4.251 3.960 0.000 0.000 0.262 179 G C 0.158 174.915 174.900 -0.238 0.000 1.200 179 G CA 1.507 46.432 45.100 -0.292 0.000 0.951 179 G HN 2.966 nan 8.290 nan 0.000 0.566 180 H N -0.466 118.518 119.070 -0.144 0.000 2.985 180 H HA 0.648 5.204 4.556 0.001 0.000 0.360 180 H C -0.400 174.958 175.328 0.049 0.000 1.221 180 H CA -0.805 55.199 56.048 -0.073 0.000 1.121 180 H CB 1.093 30.845 29.762 -0.016 0.000 1.854 180 H HN 0.592 nan 8.280 nan 0.000 0.551 181 K N 1.578 122.107 120.400 0.214 0.000 2.472 181 K HA 0.029 4.350 4.320 0.000 0.000 0.280 181 K C 0.073 176.837 176.600 0.274 0.000 1.028 181 K CA 0.621 57.036 56.287 0.214 0.000 1.045 181 K CB 0.405 32.987 32.500 0.137 0.000 0.902 181 K HN 0.679 nan 8.250 nan 0.000 0.478 182 Q N 1.800 121.736 119.800 0.226 0.000 2.685 182 Q HA 0.371 4.711 4.340 0.000 0.000 0.301 182 Q C -1.343 174.725 176.000 0.114 0.000 0.924 182 Q CA -1.255 54.651 55.803 0.171 0.000 0.755 182 Q CB 1.510 30.352 28.738 0.173 0.000 1.470 182 Q HN 0.456 nan 8.270 nan 0.000 0.434 183 R N 1.096 121.639 120.500 0.072 0.000 2.343 183 R HA 0.618 4.958 4.340 0.000 0.000 0.320 183 R C -1.683 174.617 176.300 -0.000 0.000 0.956 183 R CA -0.447 55.669 56.100 0.028 0.000 0.836 183 R CB 1.808 32.121 30.300 0.022 0.000 1.151 183 R HN 0.511 nan 8.270 nan 0.000 0.450 184 V N 4.100 123.984 119.914 -0.051 0.000 2.448 184 V HA 0.353 4.473 4.120 0.000 0.000 0.295 184 V C -0.482 175.555 176.094 -0.096 0.000 1.025 184 V CA -0.672 61.581 62.300 -0.077 0.000 0.859 184 V CB 1.611 33.358 31.823 -0.128 0.000 0.988 184 V HN 0.796 nan 8.190 nan 0.000 0.431 185 E N 2.965 123.124 120.200 -0.067 0.000 2.224 185 E HA 0.746 5.096 4.350 0.000 0.000 0.265 185 E C -0.264 176.301 176.600 -0.059 0.000 0.878 185 E CA -0.266 56.098 56.400 -0.060 0.000 0.759 185 E CB 2.057 31.737 29.700 -0.034 0.000 1.164 185 E HN 0.922 nan 8.360 nan 0.000 0.414 186 G N 1.757 110.516 108.800 -0.069 0.000 2.441 186 G HA2 0.490 4.451 3.960 0.000 0.000 0.294 186 G HA3 0.490 4.451 3.960 0.000 0.000 0.294 186 G C -1.324 173.530 174.900 -0.077 0.000 1.393 186 G CA -0.327 44.736 45.100 -0.063 0.000 0.796 186 G HN 0.622 nan 8.290 nan 0.000 0.494 187 A N -0.367 122.415 122.820 -0.062 0.000 2.477 187 A HA 0.588 4.909 4.320 0.000 0.000 0.246 187 A C 0.377 177.856 177.584 -0.175 0.000 1.078 187 A CA -0.041 51.944 52.037 -0.088 0.000 0.770 187 A CB 0.018 19.028 19.000 0.018 0.000 1.011 187 A HN 0.762 nan 8.150 nan 0.000 0.494 188 L N 3.547 124.609 121.223 -0.267 0.000 2.313 188 L HA 0.426 4.766 4.340 0.000 0.000 0.282 188 L C 0.215 176.791 176.870 -0.490 0.000 1.092 188 L CA 0.038 54.649 54.840 -0.382 0.000 0.831 188 L CB 0.016 41.843 42.059 -0.387 0.000 1.159 188 L HN 0.748 nan 8.230 nan 0.000 0.442 189 I N 0.071 120.406 120.570 -0.391 0.000 3.264 189 I HA 1.012 5.183 4.170 0.000 0.000 0.315 189 I C 0.333 176.474 176.117 0.040 0.000 1.154 189 I CA -0.424 60.686 61.300 -0.318 0.000 0.962 189 I CB 2.227 40.216 38.000 -0.018 0.000 1.265 189 I HN 0.636 nan 8.210 nan 0.000 0.463 190 G N 0.953 109.996 108.800 0.406 0.000 2.460 190 G HA2 0.428 4.388 3.960 0.000 0.000 0.207 190 G HA3 0.428 4.388 3.960 0.000 0.000 0.207 190 G C 0.187 175.456 174.900 0.614 0.000 1.170 190 G CA -0.008 45.345 45.100 0.422 0.000 1.151 190 G HN 2.512 nan 8.290 nan 0.000 0.575 191 G N -0.089 109.018 108.800 0.513 0.000 2.390 191 G HA2 0.152 4.113 3.960 0.000 0.000 0.202 191 G HA3 0.152 4.113 3.960 0.000 0.000 0.202 191 G C -0.073 175.023 174.900 0.327 0.000 1.210 191 G CA 0.750 46.182 45.100 0.553 0.000 1.271 191 G HN 1.797 nan 8.290 nan 0.000 0.543 192 N N 1.503 120.345 118.700 0.236 0.000 2.442 192 N HA 0.245 4.986 4.740 0.000 0.000 0.265 192 N C 1.571 177.161 175.510 0.132 0.000 1.138 192 N CA 0.038 53.167 53.050 0.132 0.000 0.956 192 N CB 1.314 39.830 38.487 0.048 0.000 1.067 192 N HN 0.615 nan 8.380 nan 0.000 0.474 193 L N 4.882 126.191 121.223 0.143 0.000 2.012 193 L HA -0.130 4.211 4.340 0.000 0.000 0.210 193 L C 2.005 178.955 176.870 0.135 0.000 1.073 193 L CA 2.008 56.958 54.840 0.183 0.000 0.748 193 L CB -1.058 41.177 42.059 0.293 0.000 0.891 193 L HN 0.589 nan 8.230 nan 0.000 0.431 194 T N 0.067 114.685 114.554 0.106 0.000 2.708 194 T HA -0.135 4.215 4.350 0.000 0.000 0.266 194 T C 1.910 176.650 174.700 0.066 0.000 1.037 194 T CA 1.463 63.605 62.100 0.070 0.000 1.146 194 T CB -0.600 68.293 68.868 0.042 0.000 0.865 194 T HN 0.550 nan 8.240 nan 0.000 0.435 195 A N 1.028 123.885 122.820 0.063 0.000 1.902 195 A HA 0.013 4.334 4.320 0.000 0.000 0.217 195 A C 2.300 179.936 177.584 0.086 0.000 1.181 195 A CA 1.230 53.308 52.037 0.067 0.000 0.623 195 A CB -0.782 18.244 19.000 0.043 0.000 0.818 195 A HN 0.473 nan 8.150 nan 0.000 0.443 196 L N -1.018 120.265 121.223 0.100 0.000 2.072 196 L HA -0.109 4.232 4.340 0.000 0.000 0.205 196 L C 3.086 180.019 176.870 0.106 0.000 1.079 196 L CA 0.895 55.803 54.840 0.114 0.000 0.752 196 L CB -0.550 41.594 42.059 0.142 0.000 0.906 196 L HN 0.412 nan 8.230 nan 0.000 0.436 197 A N -0.885 121.997 122.820 0.103 0.000 1.978 197 A HA -0.241 4.079 4.320 0.000 0.000 0.220 197 A C 2.214 179.852 177.584 0.089 0.000 1.170 197 A CA 1.800 53.895 52.037 0.096 0.000 0.636 197 A CB -1.166 17.890 19.000 0.095 0.000 0.810 197 A HN 0.569 nan 8.150 nan 0.000 0.448 198 C N -0.436 118.914 119.300 0.082 0.000 2.511 198 C HA 0.124 4.584 4.460 0.000 0.000 0.277 198 C C 2.114 177.159 174.990 0.091 0.000 1.451 198 C CA 0.567 59.632 59.018 0.078 0.000 1.735 198 C CB -1.160 26.621 27.740 0.069 0.000 1.704 198 C HN 0.555 nan 8.230 nan 0.000 0.571 199 M N 0.086 119.743 119.600 0.095 0.000 2.337 199 M HA 0.230 4.711 4.480 0.000 0.000 0.256 199 M C 1.130 177.484 176.300 0.090 0.000 1.075 199 M CA 0.066 55.423 55.300 0.095 0.000 1.024 199 M CB -1.088 31.572 32.600 0.100 0.000 1.429 199 M HN 0.223 nan 8.290 nan 0.000 0.497 200 A N 0.502 123.375 122.820 0.088 0.000 2.531 200 A HA 0.425 4.745 4.320 0.000 0.000 0.236 200 A C 1.488 179.118 177.584 0.077 0.000 1.062 200 A CA 1.047 53.133 52.037 0.082 0.000 0.760 200 A CB -0.438 18.613 19.000 0.084 0.000 0.995 200 A HN 0.878 nan 8.150 nan 0.000 0.501 201 G N 0.994 109.835 108.800 0.069 0.000 2.179 201 G HA2 -0.162 3.798 3.960 0.000 0.000 0.260 201 G HA3 -0.162 3.798 3.960 0.000 0.000 0.260 201 G C 0.590 175.528 174.900 0.063 0.000 0.977 201 G CA 1.430 46.568 45.100 0.064 0.000 0.641 201 G HN 2.296 nan 8.290 nan 0.000 0.533 202 T N -2.244 112.351 114.554 0.069 0.000 2.905 202 T HA 0.656 5.007 4.350 0.000 0.000 0.283 202 T C 1.850 176.594 174.700 0.073 0.000 1.031 202 T CA -0.061 62.082 62.100 0.071 0.000 1.002 202 T CB 1.490 70.405 68.868 0.078 0.000 1.200 202 T HN 1.107 nan 8.240 nan 0.000 0.560 203 L N -1.139 120.131 121.223 0.078 0.000 2.353 203 L HA 0.331 4.671 4.340 0.000 0.000 0.220 203 L C 1.703 178.633 176.870 0.100 0.000 1.133 203 L CA 1.408 56.299 54.840 0.086 0.000 0.798 203 L CB -0.812 41.307 42.059 0.099 0.000 0.922 203 L HN 0.783 nan 8.230 nan 0.000 0.445 204 G N 0.225 109.087 108.800 0.104 0.000 3.434 204 G HA2 0.317 4.277 3.960 0.000 0.000 0.258 204 G HA3 0.317 4.277 3.960 0.000 0.000 0.258 204 G C 0.736 175.702 174.900 0.110 0.000 1.128 204 G CA 0.126 45.295 45.100 0.116 0.000 0.792 204 G HN 0.503 nan 8.290 nan 0.000 0.539 205 G N 0.376 109.235 108.800 0.098 0.000 2.484 205 G HA2 0.288 4.248 3.960 0.000 0.000 0.235 205 G HA3 0.288 4.248 3.960 0.000 0.000 0.235 205 G C 0.186 175.157 174.900 0.119 0.000 1.282 205 G CA -0.451 44.708 45.100 0.098 0.000 0.857 205 G HN 0.381 nan 8.290 nan 0.000 0.571 206 L N 1.408 122.708 121.223 0.128 0.000 2.615 206 L HA 0.059 4.399 4.340 0.000 0.000 0.284 206 L C 0.638 177.608 176.870 0.167 0.000 1.237 206 L CA 0.029 54.969 54.840 0.165 0.000 0.905 206 L CB 0.038 42.188 42.059 0.151 0.000 1.149 206 L HN 0.657 nan 8.230 nan 0.000 0.499 207 H N 4.983 124.110 119.070 0.096 0.000 2.800 207 H HA 0.550 5.106 4.556 0.000 0.000 0.291 207 H C -0.441 174.911 175.328 0.038 0.000 1.076 207 H CA 0.184 56.240 56.048 0.012 0.000 1.452 207 H CB 0.607 30.326 29.762 -0.073 0.000 1.461 207 H HN 0.696 nan 8.280 nan 0.000 0.488 208 A N 7.317 129.939 122.820 -0.329 0.000 3.159 208 A HA 0.324 4.645 4.320 0.000 0.000 0.330 208 A C -2.594 174.825 177.584 -0.274 0.000 1.032 208 A CA -1.360 50.541 52.037 -0.227 0.000 0.841 208 A CB -0.263 18.693 19.000 -0.074 0.000 1.093 208 A HN 0.587 nan 8.150 nan 0.000 0.478 209 P HA 0.323 nan 4.420 nan 0.000 0.270 209 P C 0.434 177.659 177.300 -0.125 0.000 1.223 209 P CA 0.037 62.990 63.100 -0.244 0.000 0.785 209 P CB 0.652 32.216 31.700 -0.227 0.000 0.923 210 A N 1.354 124.124 122.820 -0.083 0.000 2.565 210 A HA 0.385 4.705 4.320 0.000 0.000 0.237 210 A C 1.516 179.070 177.584 -0.049 0.000 1.053 210 A CA 0.789 52.792 52.037 -0.056 0.000 0.755 210 A CB -1.420 17.556 19.000 -0.040 0.000 0.980 210 A HN 0.959 nan 8.150 nan 0.000 0.506 211 G N 1.589 110.362 108.800 -0.045 0.000 2.179 211 G HA2 -0.220 3.741 3.960 0.000 0.000 0.260 211 G HA3 -0.220 3.741 3.960 0.000 0.000 0.260 211 G C 0.556 175.421 174.900 -0.059 0.000 0.977 211 G CA 0.445 45.518 45.100 -0.044 0.000 0.641 211 G HN 1.212 nan 8.290 nan 0.000 0.533 212 S N -0.126 115.534 115.700 -0.066 0.000 2.579 212 S HA 0.502 4.972 4.470 0.000 0.000 0.275 212 S C 0.678 175.216 174.600 -0.104 0.000 1.345 212 S CA 0.038 58.189 58.200 -0.081 0.000 1.031 212 S CB 0.912 64.068 63.200 -0.073 0.000 0.892 212 S HN 0.377 nan 8.310 nan 0.000 0.529 213 I N 2.880 123.361 120.570 -0.149 0.000 2.291 213 I HA 0.188 4.358 4.170 0.000 0.000 0.290 213 I C -0.531 175.463 176.117 -0.205 0.000 1.050 213 I CA -0.500 60.683 61.300 -0.196 0.000 1.245 213 I CB 0.741 38.580 38.000 -0.269 0.000 1.405 213 I HN 0.334 nan 8.210 nan 0.000 0.478 214 L N 9.172 130.314 121.223 -0.135 0.000 2.295 214 L HA 0.325 4.665 4.340 0.000 0.000 0.288 214 L C -0.251 176.554 176.870 -0.108 0.000 1.079 214 L CA 0.026 54.814 54.840 -0.088 0.000 0.830 214 L CB 0.836 42.884 42.059 -0.017 0.000 1.200 214 L HN 0.251 nan 8.230 nan 0.000 0.438 215 V N 7.055 126.881 119.914 -0.146 0.000 2.461 215 V HA 0.375 4.495 4.120 0.000 0.000 0.275 215 V C 0.245 176.358 176.094 0.031 0.000 1.047 215 V CA -0.383 61.825 62.300 -0.154 0.000 0.955 215 V CB 1.187 32.781 31.823 -0.381 0.000 0.988 215 V HN 0.591 nan 8.190 nan 0.000 0.471 216 L N 5.874 127.124 121.223 0.045 0.000 2.386 216 L HA 0.763 5.103 4.340 0.000 0.000 0.271 216 L C -0.298 176.621 176.870 0.081 0.000 0.993 216 L CA -0.405 54.520 54.840 0.142 0.000 0.819 216 L CB 2.097 44.287 42.059 0.219 0.000 1.294 216 L HN 0.829 nan 8.230 nan 0.000 0.414 217 E N 1.299 121.444 120.200 -0.093 0.000 2.430 217 E HA 0.655 5.005 4.350 0.000 0.000 0.279 217 E C -1.972 174.273 176.600 -0.591 0.000 1.003 217 E CA -0.846 55.168 56.400 -0.643 0.000 0.801 217 E CB 3.282 32.863 29.700 -0.198 0.000 1.313 217 E HN 0.370 nan 8.360 nan 0.000 0.459 218 D N -0.252 119.659 120.400 -0.816 0.000 2.738 218 D HA 0.525 5.165 4.640 0.000 0.000 0.308 218 D C -1.907 174.329 176.300 -0.106 0.000 1.311 218 D CA -0.347 53.505 54.000 -0.248 0.000 0.799 218 D CB 2.397 43.207 40.800 0.016 0.000 1.332 218 D HN 0.315 nan 8.370 nan 0.000 0.441 219 V N -0.656 119.272 119.914 0.023 0.000 3.120 219 V HA 0.599 4.719 4.120 0.000 0.000 0.303 219 V C 0.034 176.170 176.094 0.071 0.000 1.238 219 V CA 0.476 62.813 62.300 0.061 0.000 1.008 219 V CB 1.657 33.509 31.823 0.048 0.000 1.064 219 V HN 0.947 nan 8.190 nan 0.000 0.434 220 G N 3.496 112.345 108.800 0.082 0.000 2.395 220 G HA2 -0.151 3.810 3.960 0.000 0.000 0.300 220 G HA3 -0.151 3.810 3.960 0.000 0.000 0.300 220 G C -0.194 174.739 174.900 0.055 0.000 0.998 220 G CA 0.931 46.069 45.100 0.063 0.000 1.046 220 G HN 0.837 nan 8.290 nan 0.000 0.513 221 E N 0.051 120.306 120.200 0.092 0.000 2.266 221 E HA 0.436 4.786 4.350 0.000 0.000 0.268 221 E C -2.500 174.161 176.600 0.102 0.000 0.879 221 E CA -1.930 54.507 56.400 0.062 0.000 0.762 221 E CB 2.771 32.509 29.700 0.064 0.000 1.199 221 E HN 0.193 nan 8.360 nan 0.000 0.422 222 P HA 0.093 nan 4.420 nan 0.000 0.274 222 P C 0.467 177.855 177.300 0.147 0.000 1.237 222 P CA -0.246 62.891 63.100 0.062 0.000 0.793 222 P CB 0.784 32.500 31.700 0.027 0.000 0.977 223 Y N 0.708 121.014 120.300 0.009 0.000 2.224 223 Y HA -0.197 4.353 4.550 0.001 0.000 0.289 223 Y C 2.627 178.509 175.900 -0.030 0.000 1.146 223 Y CA 1.210 59.305 58.100 -0.009 0.000 1.182 223 Y CB -2.061 36.414 38.460 0.025 0.000 0.983 223 Y HN 0.453 nan 8.280 nan 0.000 0.524 224 Y N 0.048 120.423 120.300 0.126 0.000 2.274 224 Y HA -0.113 4.437 4.550 -0.000 0.000 0.290 224 Y C 2.175 178.089 175.900 0.023 0.000 1.145 224 Y CA 1.030 59.157 58.100 0.045 0.000 1.203 224 Y CB -0.863 37.607 38.460 0.017 0.000 0.984 224 Y HN -0.143 nan 8.280 nan 0.000 0.533 225 R N 0.562 120.634 120.500 -0.713 0.000 2.115 225 R HA 0.006 4.346 4.340 0.000 0.000 0.226 225 R C 2.205 178.396 176.300 -0.182 0.000 1.100 225 R CA 1.477 57.271 56.100 -0.511 0.000 0.980 225 R CB -0.337 29.642 30.300 -0.535 0.000 0.875 225 R HN 0.418 nan 8.270 nan 0.000 0.445 226 L N 0.389 121.541 121.223 -0.119 0.000 2.056 226 L HA -0.155 4.185 4.340 0.000 0.000 0.207 226 L C 2.590 179.344 176.870 -0.193 0.000 1.078 226 L CA 1.366 56.156 54.840 -0.084 0.000 0.749 226 L CB -0.434 41.581 42.059 -0.073 0.000 0.901 226 L HN 0.257 nan 8.230 nan 0.000 0.433 227 E N 0.769 120.845 120.200 -0.207 0.000 2.051 227 E HA -0.298 4.053 4.350 0.000 0.000 0.192 227 E C 2.321 178.855 176.600 -0.110 0.000 0.991 227 E CA 1.344 57.594 56.400 -0.250 0.000 0.799 227 E CB 0.026 29.673 29.700 -0.089 0.000 0.748 227 E HN 0.280 nan 8.360 nan 0.000 0.449 228 R N 0.274 120.761 120.500 -0.021 0.000 2.103 228 R HA -0.141 4.200 4.340 0.000 0.000 0.242 228 R C 2.288 178.635 176.300 0.079 0.000 1.142 228 R CA 2.186 58.307 56.100 0.036 0.000 0.960 228 R CB -0.324 29.995 30.300 0.032 0.000 0.858 228 R HN 0.042 nan 8.270 nan 0.000 0.439 229 S N 0.626 116.344 115.700 0.030 0.000 2.355 229 S HA -0.098 4.373 4.470 0.000 0.000 0.222 229 S C 1.709 176.350 174.600 0.068 0.000 1.031 229 S CA 1.063 59.300 58.200 0.062 0.000 0.993 229 S CB -0.352 62.878 63.200 0.050 0.000 0.859 229 S HN 0.318 nan 8.310 nan 0.000 0.453 230 L N 0.656 121.861 121.223 -0.030 0.000 2.012 230 L HA -0.066 4.275 4.340 0.000 0.000 0.210 230 L C 1.938 178.780 176.870 -0.047 0.000 1.073 230 L CA 1.707 56.485 54.840 -0.104 0.000 0.748 230 L CB -0.665 41.152 42.059 -0.403 0.000 0.891 230 L HN 0.501 nan 8.230 nan 0.000 0.431 231 W N 0.316 121.500 121.300 -0.194 0.000 2.333 231 W HA -0.310 4.351 4.660 0.001 0.000 0.316 231 W C 2.842 179.396 176.519 0.058 0.000 1.215 231 W CA 2.325 59.692 57.345 0.037 0.000 1.278 231 W CB -0.319 29.213 29.460 0.119 0.000 1.154 231 W HN 0.378 nan 8.180 nan 0.000 0.486 232 Q N -0.040 120.024 119.800 0.440 0.000 2.061 232 Q HA -0.286 4.054 4.340 0.000 0.000 0.204 232 Q C 2.221 178.276 176.000 0.092 0.000 0.984 232 Q CA 2.149 58.130 55.803 0.297 0.000 0.846 232 Q CB -0.623 28.273 28.738 0.264 0.000 0.902 232 Q HN 0.405 nan 8.270 nan 0.000 0.421 233 L N 0.476 121.747 121.223 0.079 0.000 2.017 233 L HA -0.150 4.190 4.340 0.000 0.000 0.208 233 L C 2.114 178.987 176.870 0.005 0.000 1.073 233 L CA 1.638 56.510 54.840 0.054 0.000 0.745 233 L CB -0.412 41.695 42.059 0.080 0.000 0.894 233 L HN 0.331 nan 8.230 nan 0.000 0.432 234 L N -0.946 120.261 121.223 -0.027 0.000 2.093 234 L HA -0.119 4.221 4.340 0.000 0.000 0.208 234 L C 2.458 179.241 176.870 -0.147 0.000 1.085 234 L CA 0.787 55.592 54.840 -0.058 0.000 0.755 234 L CB -0.710 41.338 42.059 -0.019 0.000 0.904 234 L HN 0.284 nan 8.230 nan 0.000 0.435 235 E N 0.103 120.133 120.200 -0.283 0.000 2.268 235 E HA -0.145 4.205 4.350 0.000 0.000 0.195 235 E C 2.224 178.727 176.600 -0.161 0.000 0.995 235 E CA 1.420 57.608 56.400 -0.354 0.000 0.836 235 E CB 0.043 29.311 29.700 -0.719 0.000 0.763 235 E HN 0.524 nan 8.360 nan 0.000 0.491 236 S N -0.044 115.606 115.700 -0.082 0.000 2.517 236 S HA 0.091 4.561 4.470 0.000 0.000 0.214 236 S C 1.172 175.764 174.600 -0.013 0.000 0.991 236 S CA -0.394 57.793 58.200 -0.023 0.000 0.906 236 S CB -0.285 62.926 63.200 0.019 0.000 0.789 236 S HN 0.258 nan 8.310 nan 0.000 0.513 237 I N -2.006 118.549 120.570 -0.025 0.000 3.264 237 I HA 0.614 4.784 4.170 0.000 0.000 0.309 237 I C -1.019 175.077 176.117 -0.034 0.000 1.099 237 I CA -1.024 60.264 61.300 -0.019 0.000 0.989 237 I CB 1.179 39.175 38.000 -0.007 0.000 1.250 237 I HN -0.251 nan 8.210 nan 0.000 0.478 238 D N 2.020 122.400 120.400 -0.033 0.000 2.558 238 D HA 0.379 5.019 4.640 0.000 0.000 0.221 238 D C 1.020 177.300 176.300 -0.033 0.000 1.143 238 D CA 0.129 54.108 54.000 -0.035 0.000 1.010 238 D CB 0.837 41.616 40.800 -0.035 0.000 1.068 238 D HN 0.669 nan 8.370 nan 0.000 0.511 239 A N 3.525 126.325 122.820 -0.034 0.000 1.933 239 A HA -0.164 4.157 4.320 0.000 0.000 0.218 239 A C 2.105 179.678 177.584 -0.018 0.000 1.175 239 A CA 0.898 52.921 52.037 -0.023 0.000 0.628 239 A CB -0.119 18.866 19.000 -0.025 0.000 0.814 239 A HN 0.461 nan 8.150 nan 0.000 0.444 240 R N -0.520 119.966 120.500 -0.023 0.000 2.237 240 R HA -0.069 4.271 4.340 0.000 0.000 0.219 240 R C 1.641 177.932 176.300 -0.015 0.000 1.080 240 R CA 1.198 57.288 56.100 -0.016 0.000 0.995 240 R CB -0.134 30.155 30.300 -0.018 0.000 0.875 240 R HN 0.659 nan 8.270 nan 0.000 0.462 241 Q N 0.227 120.014 119.800 -0.021 0.000 2.360 241 Q HA 0.145 4.486 4.340 0.000 0.000 0.202 241 Q C 0.070 176.053 176.000 -0.028 0.000 0.915 241 Q CA -0.091 55.698 55.803 -0.023 0.000 0.943 241 Q CB 0.397 29.118 28.738 -0.028 0.000 1.064 241 Q HN 0.283 nan 8.270 nan 0.000 0.511 242 L N -0.340 120.867 121.223 -0.026 0.000 2.483 242 L HA 0.017 4.357 4.340 0.000 0.000 0.275 242 L C 1.602 178.454 176.870 -0.030 0.000 1.220 242 L CA 0.033 54.854 54.840 -0.032 0.000 0.833 242 L CB 0.379 42.424 42.059 -0.024 0.000 1.102 242 L HN 0.163 nan 8.230 nan 0.000 0.490 243 G N 1.161 109.933 108.800 -0.045 0.000 2.396 243 G HA2 0.327 4.287 3.960 0.000 0.000 0.214 243 G HA3 0.327 4.287 3.960 0.000 0.000 0.214 243 G C 0.294 175.169 174.900 -0.042 0.000 1.166 243 G CA 0.866 45.937 45.100 -0.047 0.000 0.793 243 G HN 0.767 nan 8.290 nan 0.000 0.533 244 A N -1.226 121.562 122.820 -0.054 0.000 2.608 244 A HA 0.660 4.980 4.320 0.000 0.000 0.292 244 A C -1.621 175.945 177.584 -0.030 0.000 1.066 244 A CA -0.665 51.356 52.037 -0.026 0.000 0.676 244 A CB 0.731 19.678 19.000 -0.089 0.000 1.277 244 A HN 0.119 nan 8.150 nan 0.000 0.413 245 I N 0.484 121.065 120.570 0.019 0.000 2.377 245 I HA 0.486 4.656 4.170 0.000 0.000 0.293 245 I C -0.510 175.611 176.117 0.006 0.000 0.987 245 I CA -0.452 60.847 61.300 -0.001 0.000 1.185 245 I CB 1.702 39.718 38.000 0.027 0.000 1.341 245 I HN 0.627 nan 8.210 nan 0.000 0.455 246 C N 8.114 127.375 119.300 -0.066 0.000 2.356 246 C HA 0.497 4.957 4.460 0.000 0.000 0.324 246 C C -0.213 174.726 174.990 -0.086 0.000 1.167 246 C CA -0.650 58.323 59.018 -0.076 0.000 1.420 246 C CB -0.434 27.179 27.740 -0.212 0.000 2.036 246 C HN 0.655 nan 8.230 nan 0.000 0.435 247 L N 6.398 127.589 121.223 -0.053 0.000 2.319 247 L HA 0.465 4.805 4.340 0.000 0.000 0.280 247 L C 1.296 178.186 176.870 0.034 0.000 1.099 247 L CA 0.243 55.072 54.840 -0.019 0.000 0.828 247 L CB 0.742 42.740 42.059 -0.101 0.000 1.150 247 L HN 0.861 nan 8.230 nan 0.000 0.442 248 G N 1.935 110.762 108.800 0.045 0.000 2.582 248 G HA2 0.302 4.262 3.960 0.000 0.000 0.232 248 G HA3 0.302 4.262 3.960 0.000 0.000 0.232 248 G C -0.037 174.922 174.900 0.100 0.000 1.458 248 G CA -0.289 44.839 45.100 0.046 0.000 1.062 248 G HN 0.638 nan 8.290 nan 0.000 0.566 249 S N -1.403 114.319 115.700 0.035 0.000 2.601 249 S HA 0.561 5.031 4.470 0.000 0.000 0.271 249 S C -1.013 173.509 174.600 -0.131 0.000 1.305 249 S CA -0.461 57.791 58.200 0.087 0.000 1.022 249 S CB 1.054 64.303 63.200 0.082 0.000 0.940 249 S HN 0.275 nan 8.310 nan 0.000 0.525 250 F N 1.401 121.420 119.950 0.114 0.000 2.443 250 F HA 0.344 4.871 4.527 0.000 0.000 0.369 250 F C 0.778 176.660 175.800 0.136 0.000 1.090 250 F CA -0.571 57.506 58.000 0.129 0.000 1.129 250 F CB 1.471 40.550 39.000 0.132 0.000 1.367 250 F HN 0.787 nan 8.300 nan 0.000 0.465 251 T N -1.786 112.870 114.554 0.170 0.000 2.895 251 T HA 0.322 4.673 4.350 0.000 0.000 0.283 251 T C 0.058 174.845 174.700 0.146 0.000 1.014 251 T CA -0.746 61.445 62.100 0.152 0.000 1.037 251 T CB 1.614 70.547 68.868 0.108 0.000 1.006 251 T HN 0.466 nan 8.240 nan 0.000 0.468 252 D N 0.006 120.487 120.400 0.135 0.000 2.751 252 D HA -0.143 4.497 4.640 0.000 0.000 0.233 252 D C -0.687 175.695 176.300 0.136 0.000 1.149 252 D CA 0.396 54.465 54.000 0.114 0.000 0.682 252 D CB -1.494 39.356 40.800 0.084 0.000 1.068 252 D HN 0.715 nan 8.370 nan 0.000 0.429 253 C N 2.162 121.581 119.300 0.198 0.000 2.206 253 C HA 0.316 4.777 4.460 0.000 0.000 0.324 253 C C -1.657 173.473 174.990 0.234 0.000 1.120 253 C CA -1.411 57.759 59.018 0.254 0.000 1.546 253 C CB 0.662 28.630 27.740 0.381 0.000 2.023 253 C HN 0.181 nan 8.230 nan 0.000 0.448 254 P HA 0.127 nan 4.420 nan 0.000 0.271 254 P C 0.528 177.695 177.300 -0.220 0.000 1.226 254 P CA 0.198 63.294 63.100 -0.008 0.000 0.765 254 P CB 0.768 32.465 31.700 -0.004 0.000 0.835 255 R N 3.765 124.060 120.500 -0.343 0.000 2.115 255 R HA -0.060 4.281 4.340 0.000 0.000 0.226 255 R C 0.467 176.514 176.300 -0.422 0.000 1.100 255 R CA 0.625 56.274 56.100 -0.751 0.000 0.980 255 R CB -0.297 29.759 30.300 -0.408 0.000 0.875 255 R HN 0.365 nan 8.270 nan 0.000 0.445 256 K N 1.231 121.510 120.400 -0.201 0.000 3.278 256 K HA -0.193 4.127 4.320 0.000 0.000 0.270 256 K C -0.738 175.802 176.600 -0.100 0.000 0.955 256 K CA 0.787 57.004 56.287 -0.117 0.000 0.723 256 K CB -0.761 31.686 32.500 -0.089 0.000 1.382 256 K HN 0.420 nan 8.250 nan 0.000 0.461 257 E N -3.603 116.545 120.200 -0.086 0.000 3.801 257 E HA -0.194 4.156 4.350 0.000 0.000 0.319 257 E C 0.073 176.639 176.600 -0.057 0.000 0.784 257 E CA 1.294 57.661 56.400 -0.055 0.000 1.183 257 E CB -1.907 27.768 29.700 -0.041 0.000 1.601 257 E HN 0.363 nan 8.360 nan 0.000 0.441 258 V N 1.013 120.873 119.914 -0.090 0.000 2.673 258 V HA 0.190 4.310 4.120 0.000 0.000 0.303 258 V C 1.931 178.027 176.094 0.003 0.000 1.046 258 V CA 1.023 63.291 62.300 -0.053 0.000 1.126 258 V CB 1.384 33.176 31.823 -0.052 0.000 0.934 258 V HN 0.420 nan 8.190 nan 0.000 0.487 259 A N 3.954 126.754 122.820 -0.033 0.000 2.014 259 A HA -0.015 4.305 4.320 0.000 0.000 0.218 259 A C 0.904 178.602 177.584 0.189 0.000 1.163 259 A CA 0.823 52.866 52.037 0.011 0.000 0.652 259 A CB -0.413 18.538 19.000 -0.081 0.000 0.808 259 A HN 0.923 nan 8.150 nan 0.000 0.449 260 H N -0.088 119.043 119.070 0.102 0.000 2.457 260 H HA 0.405 4.961 4.556 0.001 0.000 0.335 260 H C 0.267 175.700 175.328 0.176 0.000 1.115 260 H CA -0.438 55.675 56.048 0.108 0.000 1.219 260 H CB 1.449 31.263 29.762 0.086 0.000 1.471 260 H HN 0.389 nan 8.280 nan 0.000 0.491 261 S N 2.116 117.966 115.700 0.251 0.000 2.589 261 S HA -0.035 4.435 4.470 0.000 0.000 0.265 261 S C 1.259 175.890 174.600 0.052 0.000 1.342 261 S CA -0.706 57.620 58.200 0.210 0.000 1.005 261 S CB 0.989 64.263 63.200 0.124 0.000 0.909 261 S HN 0.524 nan 8.310 nan 0.000 0.555 262 L N 1.113 122.240 121.223 -0.160 0.000 2.083 262 L HA -0.029 4.311 4.340 0.000 0.000 0.209 262 L C 2.493 179.306 176.870 -0.094 0.000 1.083 262 L CA 1.865 56.452 54.840 -0.421 0.000 0.752 262 L CB -1.126 40.538 42.059 -0.658 0.000 0.899 262 L HN 0.897 nan 8.230 nan 0.000 0.433 263 E N -1.023 119.160 120.200 -0.027 0.000 2.150 263 E HA -0.247 4.104 4.350 0.000 0.000 0.193 263 E C 2.244 178.840 176.600 -0.006 0.000 0.985 263 E CA 0.844 57.238 56.400 -0.010 0.000 0.814 263 E CB -0.129 29.523 29.700 -0.080 0.000 0.752 263 E HN 0.436 nan 8.360 nan 0.000 0.466 264 R N 1.100 121.590 120.500 -0.017 0.000 2.081 264 R HA -0.142 4.198 4.340 0.000 0.000 0.235 264 R C 2.244 178.537 176.300 -0.011 0.000 1.131 264 R CA 1.183 57.259 56.100 -0.041 0.000 0.960 264 R CB -0.172 30.078 30.300 -0.084 0.000 0.856 264 R HN 0.115 nan 8.270 nan 0.000 0.436 265 I N 0.023 120.596 120.570 0.006 0.000 2.142 265 I HA -0.276 3.895 4.170 0.000 0.000 0.240 265 I C 1.923 178.080 176.117 0.066 0.000 1.078 265 I CA 1.357 62.673 61.300 0.027 0.000 1.343 265 I CB -0.359 37.586 38.000 -0.092 0.000 1.046 265 I HN 0.122 nan 8.210 nan 0.000 0.405 266 F N 1.112 121.037 119.950 -0.041 0.000 2.171 266 F HA -0.124 4.403 4.527 0.000 0.000 0.300 266 F C 2.520 178.335 175.800 0.026 0.000 1.090 266 F CA 1.585 59.562 58.000 -0.039 0.000 1.293 266 F CB -1.074 37.828 39.000 -0.164 0.000 1.013 266 F HN 0.027 nan 8.300 nan 0.000 0.486 267 G N -0.720 108.172 108.800 0.153 0.000 2.408 267 G HA2 -0.198 3.762 3.960 0.000 0.000 0.217 267 G HA3 -0.198 3.762 3.960 0.000 0.000 0.217 267 G C 1.558 176.490 174.900 0.054 0.000 1.150 267 G CA 0.659 45.793 45.100 0.057 0.000 0.776 267 G HN 0.340 nan 8.290 nan 0.000 0.542 268 E N -0.528 119.709 120.200 0.061 0.000 2.072 268 E HA -0.117 4.234 4.350 0.000 0.000 0.191 268 E C 2.142 178.723 176.600 -0.032 0.000 0.985 268 E CA 0.822 57.219 56.400 -0.005 0.000 0.801 268 E CB -0.188 29.494 29.700 -0.031 0.000 0.750 268 E HN 0.588 nan 8.360 nan 0.000 0.452 269 Y N 0.485 120.796 120.300 0.017 0.000 2.200 269 Y HA -0.167 4.384 4.550 0.001 0.000 0.290 269 Y C 2.386 178.301 175.900 0.025 0.000 1.137 269 Y CA 1.149 59.265 58.100 0.027 0.000 1.163 269 Y CB -0.426 38.055 38.460 0.035 0.000 0.988 269 Y HN 0.044 nan 8.280 nan 0.000 0.518 270 A N -0.094 122.832 122.820 0.177 0.000 1.933 270 A HA -0.122 4.198 4.320 0.000 0.000 0.218 270 A C 2.403 180.011 177.584 0.040 0.000 1.175 270 A CA 1.716 53.811 52.037 0.097 0.000 0.628 270 A CB -1.168 17.879 19.000 0.078 0.000 0.814 270 A HN 0.402 nan 8.150 nan 0.000 0.444 271 A N -0.175 122.656 122.820 0.019 0.000 1.930 271 A HA 0.214 4.535 4.320 0.000 0.000 0.217 271 A C 2.460 180.033 177.584 -0.019 0.000 1.175 271 A CA 1.823 53.855 52.037 -0.008 0.000 0.627 271 A CB -0.901 18.085 19.000 -0.023 0.000 0.815 271 A HN 1.025 nan 8.150 nan 0.000 0.443 272 A N 0.495 123.293 122.820 -0.038 0.000 1.972 272 A HA -0.048 4.272 4.320 0.000 0.000 0.219 272 A C 1.954 179.519 177.584 -0.032 0.000 1.169 272 A CA 1.495 53.498 52.037 -0.057 0.000 0.635 272 A CB -0.703 18.224 19.000 -0.121 0.000 0.810 272 A HN 1.017 nan 8.150 nan 0.000 0.446 273 I N -4.707 115.857 120.570 -0.010 0.000 3.883 273 I HA 0.264 4.434 4.170 0.000 0.000 0.326 273 I C -0.087 176.030 176.117 0.001 0.000 1.283 273 I CA 0.353 61.650 61.300 -0.005 0.000 1.161 273 I CB -0.302 37.702 38.000 0.006 0.000 1.012 273 I HN 0.247 nan 8.210 nan 0.000 0.421 274 E N 0.881 121.082 120.200 0.003 0.000 2.320 274 E HA -0.136 4.214 4.350 0.000 0.000 0.234 274 E C -0.716 175.890 176.600 0.010 0.000 1.183 274 E CA 0.085 56.490 56.400 0.008 0.000 0.713 274 E CB -1.405 28.301 29.700 0.010 0.000 1.226 274 E HN 0.424 nan 8.360 nan 0.000 0.382 275 V N 0.958 120.879 119.914 0.011 0.000 2.604 275 V HA 0.423 4.543 4.120 0.000 0.000 0.305 275 V C -1.691 174.409 176.094 0.009 0.000 1.043 275 V CA -1.646 60.661 62.300 0.011 0.000 0.888 275 V CB 1.854 33.687 31.823 0.017 0.000 0.995 275 V HN 0.064 nan 8.190 nan 0.000 0.429 276 P HA 0.260 nan 4.420 nan 0.000 0.272 276 P C -1.119 176.187 177.300 0.010 0.000 1.223 276 P CA -0.337 62.751 63.100 -0.020 0.000 0.784 276 P CB 1.325 32.976 31.700 -0.082 0.000 0.923 277 L N 3.377 124.565 121.223 -0.059 0.000 2.333 277 L HA 0.479 4.819 4.340 0.000 0.000 0.280 277 L C -1.172 175.611 176.870 -0.145 0.000 1.004 277 L CA -0.839 53.981 54.840 -0.032 0.000 0.820 277 L CB 0.790 42.818 42.059 -0.052 0.000 1.247 277 L HN 0.263 nan 8.230 nan 0.000 0.416 278 Y N 3.347 123.607 120.300 -0.067 0.000 2.587 278 Y HA 0.715 5.265 4.550 0.000 0.000 0.337 278 Y C -0.070 175.849 175.900 0.031 0.000 1.065 278 Y CA -0.435 57.661 58.100 -0.006 0.000 1.126 278 Y CB 1.852 40.258 38.460 -0.090 0.000 1.279 278 Y HN 0.802 nan 8.280 nan 0.000 0.489 279 H N -3.486 115.570 119.070 -0.023 0.000 2.918 279 H HA 0.439 4.995 4.556 0.000 0.000 0.303 279 H C -1.015 174.236 175.328 -0.128 0.000 1.380 279 H CA -1.096 54.841 56.048 -0.186 0.000 1.134 279 H CB 1.218 30.734 29.762 -0.409 0.000 1.842 279 H HN 0.828 nan 8.280 nan 0.000 0.533 280 H N -1.544 117.446 119.070 -0.134 0.000 2.992 280 H HA -0.171 4.385 4.556 0.000 0.000 0.266 280 H C -0.471 174.809 175.328 -0.080 0.000 1.200 280 H CA 0.324 56.270 56.048 -0.170 0.000 1.135 280 H CB -1.104 28.447 29.762 -0.351 0.000 1.282 280 H HN 0.463 nan 8.280 nan 0.000 0.351 281 L N 3.341 124.585 121.223 0.034 0.000 2.499 281 L HA 0.141 4.481 4.340 0.000 0.000 0.273 281 L C -1.598 175.295 176.870 0.037 0.000 1.195 281 L CA -1.114 53.727 54.840 0.003 0.000 0.882 281 L CB 0.511 42.526 42.059 -0.073 0.000 1.133 281 L HN -0.086 nan 8.230 nan 0.000 0.483 282 P HA 0.098 nan 4.420 nan 0.000 0.231 282 P C -0.999 176.344 177.300 0.072 0.000 1.811 282 P CA -0.052 63.078 63.100 0.050 0.000 1.051 282 P CB 0.320 32.041 31.700 0.035 0.000 1.951 283 S N 1.043 116.792 115.700 0.083 0.000 2.572 283 S HA 0.778 5.248 4.470 0.000 0.000 0.274 283 S C -0.348 174.320 174.600 0.115 0.000 1.150 283 S CA 0.105 58.387 58.200 0.136 0.000 0.944 283 S CB 1.222 64.561 63.200 0.231 0.000 1.071 283 S HN 0.554 nan 8.310 nan 0.000 0.479 284 G N 2.158 111.017 108.800 0.098 0.000 2.332 284 G HA2 0.439 4.399 3.960 0.000 0.000 0.265 284 G HA3 0.439 4.399 3.960 0.000 0.000 0.265 284 G C 0.312 175.266 174.900 0.091 0.000 1.329 284 G CA -0.023 45.156 45.100 0.132 0.000 0.949 284 G HN 1.417 nan 8.290 nan 0.000 0.476 285 A N -0.297 122.651 122.820 0.213 0.000 2.208 285 A HA 0.619 4.939 4.320 0.000 0.000 0.209 285 A C 1.581 179.240 177.584 0.125 0.000 1.161 285 A CA 1.947 54.143 52.037 0.264 0.000 0.782 285 A CB -0.667 18.472 19.000 0.231 0.000 0.816 285 A HN 1.946 nan 8.150 nan 0.000 0.477 286 G N -2.140 106.702 108.800 0.070 0.000 2.508 286 G HA2 0.416 4.377 3.960 0.000 0.000 0.278 286 G HA3 0.416 4.377 3.960 0.000 0.000 0.278 286 G C 1.232 176.148 174.900 0.027 0.000 1.389 286 G CA 0.150 45.283 45.100 0.054 0.000 1.050 286 G HN 0.495 nan 8.290 nan 0.000 0.522 287 A N -1.388 121.448 122.820 0.027 0.000 1.940 287 A HA 0.014 4.334 4.320 0.000 0.000 0.219 287 A C 1.496 179.081 177.584 0.001 0.000 1.176 287 A CA 1.074 53.121 52.037 0.018 0.000 0.631 287 A CB -0.318 18.696 19.000 0.024 0.000 0.814 287 A HN 0.491 nan 8.150 nan 0.000 0.446 288 Q N 0.420 120.222 119.800 0.004 0.000 2.361 288 Q HA 0.241 4.581 4.340 0.000 0.000 0.250 288 Q C -1.127 174.861 176.000 -0.020 0.000 1.023 288 Q CA -0.091 55.711 55.803 -0.001 0.000 0.915 288 Q CB 0.438 29.184 28.738 0.013 0.000 1.238 288 Q HN 0.417 nan 8.270 nan 0.000 0.451 289 N N 2.683 121.350 118.700 -0.055 0.000 2.711 289 N HA 0.076 4.816 4.740 0.000 0.000 0.263 289 N C -1.282 174.179 175.510 -0.082 0.000 1.667 289 N CA -0.301 52.679 53.050 -0.117 0.000 0.785 289 N CB 0.498 38.792 38.487 -0.321 0.000 1.231 289 N HN 0.197 nan 8.380 nan 0.000 0.503 290 R N 0.678 121.185 120.500 0.011 0.000 2.389 290 R HA 0.437 4.778 4.340 0.000 0.000 0.295 290 R C 0.238 176.588 176.300 0.084 0.000 1.075 290 R CA -0.398 55.726 56.100 0.040 0.000 1.005 290 R CB 0.267 30.620 30.300 0.088 0.000 0.987 290 R HN 0.442 nan 8.270 nan 0.000 0.452 291 A N 4.976 127.794 122.820 -0.004 0.000 2.498 291 A HA 0.293 4.613 4.320 0.000 0.000 0.239 291 A C -0.189 177.422 177.584 0.045 0.000 1.068 291 A CA -0.131 51.856 52.037 -0.083 0.000 0.766 291 A CB 0.207 19.101 19.000 -0.176 0.000 1.003 291 A HN 0.772 nan 8.150 nan 0.000 0.497 292 W N 0.942 122.140 121.300 -0.169 0.000 3.127 292 W HA 0.562 5.223 4.660 0.000 0.000 0.330 292 W C -3.242 172.964 176.519 -0.521 0.000 1.187 292 W CA -2.732 54.298 57.345 -0.524 0.000 1.198 292 W CB 1.297 30.471 29.460 -0.477 0.000 1.408 292 W HN 0.437 nan 8.180 nan 0.000 0.529 293 P HA 0.077 nan 4.420 nan 0.000 0.282 293 P C -1.184 176.052 177.300 -0.105 0.000 1.274 293 P CA 0.276 63.158 63.100 -0.364 0.000 0.770 293 P CB 0.825 32.182 31.700 -0.572 0.000 0.867 294 Y N 3.254 123.474 120.300 -0.133 0.000 2.393 294 Y HA 0.377 4.928 4.550 0.000 0.000 0.338 294 Y C 1.604 177.418 175.900 -0.145 0.000 1.029 294 Y CA 1.578 59.660 58.100 -0.029 0.000 1.239 294 Y CB 0.288 38.686 38.460 -0.104 0.000 1.170 294 Y HN 0.816 nan 8.280 nan 0.000 0.515 295 G N 3.841 112.315 108.800 -0.544 0.000 2.176 295 G HA2 -0.257 3.703 3.960 0.000 0.000 0.253 295 G HA3 -0.257 3.703 3.960 0.000 0.000 0.253 295 G C 0.200 174.861 174.900 -0.399 0.000 0.979 295 G CA -0.050 44.533 45.100 -0.862 0.000 0.641 295 G HN 0.541 nan 8.290 nan 0.000 0.530 296 K N 0.594 120.855 120.400 -0.231 0.000 2.090 296 K HA 0.498 4.818 4.320 0.000 0.000 0.250 296 K C 0.316 176.864 176.600 -0.087 0.000 1.004 296 K CA -0.192 56.026 56.287 -0.114 0.000 0.919 296 K CB 0.579 33.022 32.500 -0.096 0.000 1.045 296 K HN 0.088 nan 8.250 nan 0.000 0.471 297 T N 1.333 115.873 114.554 -0.022 0.000 2.870 297 T HA 0.346 4.696 4.350 0.000 0.000 0.300 297 T C -0.283 174.433 174.700 0.027 0.000 0.989 297 T CA -0.314 61.781 62.100 -0.008 0.000 1.139 297 T CB 0.912 69.787 68.868 0.010 0.000 0.920 297 T HN 0.633 nan 8.240 nan 0.000 0.537 298 A N 2.753 125.575 122.820 0.003 0.000 2.532 298 A HA 0.836 5.156 4.320 0.000 0.000 0.290 298 A C -1.173 176.398 177.584 -0.022 0.000 1.143 298 A CA -0.711 51.356 52.037 0.050 0.000 0.728 298 A CB 1.575 20.624 19.000 0.081 0.000 1.317 298 A HN 0.619 nan 8.150 nan 0.000 0.414 299 V N 0.882 120.781 119.914 -0.024 0.000 2.531 299 V HA 0.381 4.501 4.120 0.000 0.000 0.301 299 V C -0.650 175.372 176.094 -0.121 0.000 1.034 299 V CA -0.272 61.986 62.300 -0.069 0.000 0.865 299 V CB 1.466 33.264 31.823 -0.041 0.000 0.995 299 V HN 0.699 nan 8.190 nan 0.000 0.424 300 L N 5.924 127.029 121.223 -0.196 0.000 2.295 300 L HA 0.517 4.857 4.340 0.000 0.000 0.288 300 L C 0.245 177.036 176.870 -0.131 0.000 1.079 300 L CA 0.150 54.823 54.840 -0.278 0.000 0.830 300 L CB 0.394 42.079 42.059 -0.623 0.000 1.200 300 L HN 0.821 nan 8.230 nan 0.000 0.438 301 E N 2.419 122.577 120.200 -0.070 0.000 2.292 301 E HA 0.653 5.003 4.350 0.000 0.000 0.272 301 E C 0.396 177.009 176.600 0.021 0.000 0.881 301 E CA -0.508 55.888 56.400 -0.007 0.000 0.754 301 E CB 1.915 31.605 29.700 -0.016 0.000 1.201 301 E HN 0.516 nan 8.360 nan 0.000 0.425 302 G N 4.300 113.134 108.800 0.058 0.000 2.660 302 G HA2 -0.450 3.510 3.960 0.000 0.000 0.321 302 G HA3 -0.450 3.510 3.960 0.000 0.000 0.321 302 G C 0.456 175.405 174.900 0.080 0.000 1.246 302 G CA 0.962 46.099 45.100 0.062 0.000 1.000 302 G HN 0.935 nan 8.290 nan 0.000 0.550 303 N N 1.220 119.948 118.700 0.046 0.000 2.238 303 N HA 0.256 4.997 4.740 0.000 0.000 0.222 303 N C 0.563 176.083 175.510 0.016 0.000 1.133 303 N CA 0.798 53.876 53.050 0.048 0.000 0.854 303 N CB 0.130 38.635 38.487 0.029 0.000 1.041 303 N HN 1.147 nan 8.380 nan 0.000 0.510 304 R N -1.506 118.988 120.500 -0.009 0.000 2.764 304 R HA 0.595 4.935 4.340 0.000 0.000 0.270 304 R C -1.731 174.514 176.300 -0.092 0.000 1.014 304 R CA -1.140 54.926 56.100 -0.057 0.000 0.904 304 R CB 0.716 30.966 30.300 -0.083 0.000 1.236 304 R HN 0.012 nan 8.270 nan 0.000 0.466 305 L N 1.453 122.612 121.223 -0.107 0.000 2.287 305 L HA 0.554 4.894 4.340 0.000 0.000 0.287 305 L C -0.758 176.060 176.870 -0.086 0.000 1.022 305 L CA -0.302 54.477 54.840 -0.102 0.000 0.814 305 L CB 1.293 43.298 42.059 -0.090 0.000 1.217 305 L HN 0.743 nan 8.230 nan 0.000 0.420 306 R N 4.634 125.097 120.500 -0.061 0.000 2.561 306 R HA 0.569 4.909 4.340 0.000 0.000 0.297 306 R C -1.677 174.652 176.300 0.048 0.000 0.969 306 R CA -0.637 55.384 56.100 -0.132 0.000 0.879 306 R CB 1.258 31.495 30.300 -0.105 0.000 1.178 306 R HN 0.805 nan 8.270 nan 0.000 0.445 307 W N 0.000 121.316 121.300 0.026 0.000 2.388 307 W HA 0.000 4.660 4.660 0.000 0.000 0.303 307 W CA 0.000 57.354 57.345 0.015 0.000 1.226 307 W CB 0.000 29.469 29.460 0.015 0.000 1.126 307 W HN 0.000 nan 8.180 nan 0.000 0.535