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 2fug_1_1 DATA FIRST_RESID 7 DATA SEQUENCE SGLDPRFERT LYAHVGKEGS WTLDYYLRHG GYETAKRVLK EKTPDEVIEE DATA SEQUENCE VKRSGLRGRG GAGFPTGLKW SFMPKDDGKQ HYLICNADES EPGSFKDRYI DATA SEQUENCE LEDVPHLLIE GMILAGYAIR ATVGYIYVRG EYRRAADRLE QAIKEARARG DATA SEQUENCE YLGKNLFGTD FSFDLHVHRG AGAYICGEET ALMNSLEGLR ANPRLKPPFP DATA SEQUENCE AQSGLWGKPT TINNVETLAS VVPIMERGAD WFAQMGTEQS KGMKLYQISG DATA SEQUENCE PVKRPGVYEL PMGTTFRELI YEWAGGPLEP IQAIIPGGSS TPPLPFTEEV DATA SEQUENCE LDTPMSYEHL QAKGSMLGTG GVILIPERVS MVDAMWNLTR FYAHESCGKC DATA SEQUENCE TPCREGVAGF MVNLFAKIGT GQGEEKDVEN LEALLPLIEG RSFCPLADAA DATA SEQUENCE VWPVKGSLRH FKDQYLALAR EKRPVPRPSL WR 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 0.000 174.631 174.600 0.052 0.000 1.055 7 S CA 0.000 58.212 58.200 0.021 0.000 1.107 7 S CB 0.000 63.203 63.200 0.005 0.000 0.593 8 G N 2.121 110.950 108.800 0.048 0.000 2.343 8 G HA2 0.416 4.375 3.960 -0.000 0.000 0.254 8 G HA3 0.416 4.375 3.960 -0.000 0.000 0.254 8 G C -0.158 174.819 174.900 0.130 0.000 1.277 8 G CA -0.212 44.916 45.100 0.046 0.000 0.909 8 G HN 0.697 nan 8.290 nan 0.000 0.502 9 L N 2.444 123.714 121.223 0.078 0.000 2.319 9 L HA 0.390 4.730 4.340 -0.000 0.000 0.280 9 L C -0.219 176.555 176.870 -0.159 0.000 1.099 9 L CA -0.338 54.549 54.840 0.078 0.000 0.828 9 L CB 0.944 42.942 42.059 -0.102 0.000 1.150 9 L HN 0.512 nan 8.230 nan 0.000 0.442 10 D N 4.666 124.880 120.400 -0.311 0.000 2.784 10 D HA 0.455 5.095 4.640 -0.000 0.000 0.256 10 D C -2.666 173.362 176.300 -0.452 0.000 1.129 10 D CA -0.741 53.099 54.000 -0.267 0.000 1.102 10 D CB 1.000 41.809 40.800 0.014 0.000 1.330 10 D HN 0.299 nan 8.370 nan 0.000 0.626 11 P HA 0.035 nan 4.420 nan 0.000 0.261 11 P C -0.528 176.788 177.300 0.026 0.000 1.183 11 P CA 0.388 63.444 63.100 -0.072 0.000 0.761 11 P CB 0.183 31.894 31.700 0.018 0.000 0.785 12 R N 1.336 121.906 120.500 0.117 0.000 3.387 12 R HA -0.217 4.123 4.340 -0.000 0.000 0.254 12 R C -0.897 175.567 176.300 0.272 0.000 1.006 12 R CA 1.080 57.370 56.100 0.316 0.000 0.677 12 R CB -3.001 27.595 30.300 0.495 0.000 1.063 12 R HN 0.368 nan 8.270 nan 0.000 0.453 13 F N -2.153 117.885 119.950 0.146 0.000 2.577 13 F HA 0.624 5.151 4.527 -0.000 0.000 0.318 13 F C 1.426 177.291 175.800 0.108 0.000 1.065 13 F CA -1.659 56.404 58.000 0.106 0.000 0.929 13 F CB 1.138 40.174 39.000 0.060 0.000 1.237 13 F HN 0.117 nan 8.300 nan 0.000 0.468 14 E N 1.447 121.946 120.200 0.498 0.000 2.782 14 E HA -0.394 3.956 4.350 -0.000 0.000 0.241 14 E C 0.566 177.376 176.600 0.349 0.000 0.998 14 E CA 2.886 59.489 56.400 0.337 0.000 1.535 14 E CB -0.857 28.956 29.700 0.188 0.000 1.442 14 E HN 0.781 nan 8.360 nan 0.000 0.461 15 R N 1.127 121.920 120.500 0.489 0.000 2.702 15 R HA 0.304 4.644 4.340 -0.000 0.000 0.314 15 R C 0.915 177.328 176.300 0.189 0.000 1.152 15 R CA 0.334 56.631 56.100 0.327 0.000 1.097 15 R CB 0.224 30.734 30.300 0.350 0.000 1.343 15 R HN 0.093 nan 8.270 nan 0.000 0.575 16 T N 1.504 116.129 114.554 0.119 0.000 2.643 16 T HA -0.101 4.248 4.350 -0.000 0.000 0.264 16 T C 0.731 175.505 174.700 0.124 0.000 1.045 16 T CA 0.790 62.880 62.100 -0.017 0.000 1.155 16 T CB -0.190 68.655 68.868 -0.038 0.000 0.863 16 T HN 0.388 nan 8.240 nan 0.000 0.420 17 L N 1.153 122.552 121.223 0.294 0.000 3.295 17 L HA -0.143 4.197 4.340 -0.000 0.000 0.686 17 L C -1.025 176.066 176.870 0.369 0.000 1.088 17 L CA -0.674 54.387 54.840 0.368 0.000 1.255 17 L CB -1.142 41.183 42.059 0.443 0.000 1.713 17 L HN 0.355 nan 8.230 nan 0.000 0.868 18 Y N 0.953 121.333 120.300 0.134 0.000 2.620 18 Y HA 0.141 4.691 4.550 -0.000 0.000 0.330 18 Y C 1.077 177.042 175.900 0.108 0.000 1.186 18 Y CA 0.746 58.907 58.100 0.101 0.000 1.467 18 Y CB 0.767 39.260 38.460 0.055 0.000 1.262 18 Y HN 0.549 nan 8.280 nan 0.000 0.550 19 A N 3.124 126.048 122.820 0.172 0.000 1.969 19 A HA 0.048 4.368 4.320 -0.000 0.000 0.205 19 A C 1.554 179.117 177.584 -0.035 0.000 1.364 19 A CA 0.446 52.517 52.037 0.056 0.000 0.756 19 A CB -0.131 18.922 19.000 0.089 0.000 0.988 19 A HN 0.782 nan 8.150 nan 0.000 0.490 20 H N -0.213 118.947 119.070 0.151 0.000 2.797 20 H HA 0.140 4.696 4.556 -0.000 0.000 0.327 20 H C 0.600 175.994 175.328 0.111 0.000 1.268 20 H CA 0.930 57.048 56.048 0.118 0.000 1.882 20 H CB -0.910 28.902 29.762 0.085 0.000 1.611 20 H HN 0.052 nan 8.280 nan 0.000 0.725 21 V N 2.229 122.297 119.914 0.256 0.000 2.248 21 V HA 0.033 4.153 4.120 -0.000 0.000 0.230 21 V C 1.098 177.274 176.094 0.138 0.000 1.383 21 V CA 1.171 63.557 62.300 0.143 0.000 1.442 21 V CB -0.985 30.877 31.823 0.065 0.000 1.472 21 V HN 0.674 nan 8.190 nan 0.000 0.490 22 G N 3.041 111.931 108.800 0.149 0.000 4.379 22 G HA2 0.307 4.267 3.960 -0.000 0.000 0.290 22 G HA3 0.307 4.267 3.960 -0.000 0.000 0.290 22 G C 0.112 175.069 174.900 0.095 0.000 1.065 22 G CA -0.298 44.879 45.100 0.129 0.000 0.833 22 G HN 0.392 nan 8.290 nan 0.000 0.512 23 K N 0.929 121.386 120.400 0.095 0.000 2.619 23 K HA 0.480 4.800 4.320 -0.000 0.000 0.251 23 K C -1.618 175.018 176.600 0.059 0.000 0.987 23 K CA -0.477 55.873 56.287 0.104 0.000 0.844 23 K CB 2.563 35.175 32.500 0.185 0.000 1.237 23 K HN 0.101 nan 8.250 nan 0.000 0.447 24 E N -0.296 119.911 120.200 0.013 0.000 2.304 24 E HA 0.635 4.985 4.350 -0.000 0.000 0.277 24 E C 0.357 176.916 176.600 -0.068 0.000 0.898 24 E CA -0.158 56.229 56.400 -0.022 0.000 0.764 24 E CB 1.913 31.596 29.700 -0.027 0.000 1.216 24 E HN 0.736 nan 8.360 nan 0.000 0.419 25 G N 0.919 109.645 108.800 -0.124 0.000 3.465 25 G HA2 0.026 3.986 3.960 -0.000 0.000 0.219 25 G HA3 0.026 3.986 3.960 -0.000 0.000 0.219 25 G C 0.272 174.972 174.900 -0.333 0.000 0.984 25 G CA 0.328 45.327 45.100 -0.168 0.000 0.864 25 G HN 0.668 nan 8.290 nan 0.000 0.485 26 S N -2.040 113.300 115.700 -0.600 0.000 2.680 26 S HA 0.557 5.027 4.470 -0.000 0.000 0.276 26 S C -0.746 173.593 174.600 -0.435 0.000 1.189 26 S CA 0.791 58.513 58.200 -0.798 0.000 0.909 26 S CB 0.036 62.584 63.200 -1.087 0.000 1.227 26 S HN 1.495 nan 8.310 nan 0.000 0.501 27 W N -0.344 120.833 121.300 -0.204 0.000 0.820 27 W HA 0.193 4.853 4.660 -0.000 0.000 0.141 27 W C 0.432 177.079 176.519 0.214 0.000 0.630 27 W CA 0.466 57.843 57.345 0.055 0.000 0.454 27 W CB -1.338 28.142 29.460 0.034 0.000 0.673 27 W HN 0.773 nan 8.180 nan 0.000 0.401 28 T N 0.444 114.655 114.554 -0.573 0.000 2.623 28 T HA -0.135 4.215 4.350 -0.000 0.000 0.359 28 T C 1.042 175.740 174.700 -0.002 0.000 1.077 28 T CA 0.675 62.680 62.100 -0.159 0.000 1.075 28 T CB 0.794 69.494 68.868 -0.280 0.000 0.999 28 T HN 0.388 nan 8.240 nan 0.000 0.548 29 L N 0.112 121.282 121.223 -0.088 0.000 2.093 29 L HA -0.052 4.288 4.340 -0.000 0.000 0.208 29 L C 2.236 179.122 176.870 0.027 0.000 1.085 29 L CA 1.828 56.519 54.840 -0.248 0.000 0.755 29 L CB -0.603 41.404 42.059 -0.087 0.000 0.904 29 L HN 0.742 nan 8.230 nan 0.000 0.435 30 D N -1.075 119.355 120.400 0.050 0.000 2.084 30 D HA -0.278 4.362 4.640 -0.000 0.000 0.196 30 D C 1.801 178.162 176.300 0.102 0.000 0.985 30 D CA 1.401 55.442 54.000 0.070 0.000 0.826 30 D CB -0.323 40.505 40.800 0.046 0.000 0.978 30 D HN 0.303 nan 8.370 nan 0.000 0.456 31 Y N -0.523 119.785 120.300 0.014 0.000 2.384 31 Y HA -0.278 4.272 4.550 -0.000 0.000 0.289 31 Y C 1.898 177.904 175.900 0.176 0.000 1.152 31 Y CA 1.173 59.313 58.100 0.068 0.000 1.258 31 Y CB -0.112 38.306 38.460 -0.070 0.000 0.979 31 Y HN 0.061 nan 8.280 nan 0.000 0.549 32 Y N -0.570 119.765 120.300 0.058 0.000 2.231 32 Y HA -0.084 4.466 4.550 -0.000 0.000 0.294 32 Y C 1.986 177.888 175.900 0.005 0.000 1.120 32 Y CA 1.424 59.540 58.100 0.025 0.000 1.141 32 Y CB -0.482 37.988 38.460 0.017 0.000 1.022 32 Y HN 0.050 nan 8.280 nan 0.000 0.523 33 L N -0.371 120.888 121.223 0.061 0.000 2.056 33 L HA -0.190 4.150 4.340 -0.000 0.000 0.207 33 L C 2.545 179.359 176.870 -0.094 0.000 1.078 33 L CA 1.398 56.220 54.840 -0.030 0.000 0.749 33 L CB -0.488 41.614 42.059 0.072 0.000 0.901 33 L HN 0.045 nan 8.230 nan 0.000 0.433 34 R N -0.662 119.790 120.500 -0.079 0.000 2.211 34 R HA -0.168 4.172 4.340 -0.000 0.000 0.240 34 R C 0.411 176.489 176.300 -0.370 0.000 1.144 34 R CA 1.134 57.121 56.100 -0.189 0.000 0.992 34 R CB -0.079 30.113 30.300 -0.180 0.000 0.869 34 R HN 0.427 nan 8.270 nan 0.000 0.462 35 H N -1.880 117.004 119.070 -0.310 0.000 2.507 35 H HA 0.287 4.843 4.556 -0.000 0.000 0.271 35 H C 0.308 175.446 175.328 -0.317 0.000 1.224 35 H CA 0.319 56.180 56.048 -0.310 0.000 1.000 35 H CB 1.032 30.575 29.762 -0.366 0.000 1.663 35 H HN 0.311 nan 8.280 nan 0.000 0.548 36 G N 0.238 108.911 108.800 -0.213 0.000 2.149 36 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.235 36 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.235 36 G C 1.155 175.849 174.900 -0.343 0.000 1.018 36 G CA 0.193 45.153 45.100 -0.233 0.000 0.728 36 G HN 0.871 nan 8.290 nan 0.000 0.508 37 G N -0.083 108.486 108.800 -0.384 0.000 2.966 37 G HA2 -0.172 3.787 3.960 -0.000 0.000 1.018 37 G HA3 -0.172 3.787 3.960 -0.000 0.000 1.018 37 G C 0.727 175.407 174.900 -0.366 0.000 1.124 37 G CA 0.962 45.792 45.100 -0.451 0.000 0.804 37 G HN 0.758 nan 8.290 nan 0.000 0.962 38 Y N 1.080 121.254 120.300 -0.210 0.000 2.487 38 Y HA 0.155 4.705 4.550 -0.000 0.000 0.339 38 Y C 2.347 178.186 175.900 -0.102 0.000 1.191 38 Y CA 0.699 58.751 58.100 -0.079 0.000 1.279 38 Y CB -0.185 38.145 38.460 -0.216 0.000 1.122 38 Y HN 0.640 nan 8.280 nan 0.000 0.500 39 E N -0.459 119.723 120.200 -0.029 0.000 2.204 39 E HA -0.165 4.185 4.350 -0.000 0.000 0.195 39 E C 1.502 178.039 176.600 -0.106 0.000 0.990 39 E CA 1.458 57.815 56.400 -0.071 0.000 0.821 39 E CB 0.294 29.941 29.700 -0.088 0.000 0.750 39 E HN 0.416 nan 8.360 nan 0.000 0.477 40 T N 0.272 114.772 114.554 -0.089 0.000 2.812 40 T HA -0.078 4.272 4.350 -0.000 0.000 0.264 40 T C 1.845 176.485 174.700 -0.099 0.000 1.042 40 T CA 1.069 63.115 62.100 -0.090 0.000 1.140 40 T CB -0.198 68.630 68.868 -0.068 0.000 0.870 40 T HN 0.283 nan 8.240 nan 0.000 0.445 41 A N 1.871 124.665 122.820 -0.044 0.000 1.892 41 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 41 A C 2.182 179.591 177.584 -0.292 0.000 1.188 41 A CA 2.279 54.295 52.037 -0.036 0.000 0.631 41 A CB -0.661 18.465 19.000 0.209 0.000 0.822 41 A HN 0.504 nan 8.150 nan 0.000 0.447 42 K N -0.426 119.683 120.400 -0.485 0.000 2.001 42 K HA -0.245 4.075 4.320 -0.000 0.000 0.214 42 K C 2.309 178.599 176.600 -0.518 0.000 1.050 42 K CA 1.906 57.644 56.287 -0.914 0.000 0.934 42 K CB -0.251 31.880 32.500 -0.615 0.000 0.718 42 K HN 0.505 nan 8.250 nan 0.000 0.443 43 R N 0.166 120.486 120.500 -0.300 0.000 2.127 43 R HA -0.183 4.157 4.340 -0.000 0.000 0.228 43 R C 2.336 178.516 176.300 -0.199 0.000 1.125 43 R CA 2.135 58.114 56.100 -0.201 0.000 0.904 43 R CB -1.136 29.082 30.300 -0.137 0.000 0.831 43 R HN 0.070 nan 8.270 nan 0.000 0.431 44 V N 1.943 121.752 119.914 -0.174 0.000 2.236 44 V HA -0.329 3.791 4.120 -0.000 0.000 0.255 44 V C 2.457 178.392 176.094 -0.265 0.000 1.068 44 V CA 2.289 64.499 62.300 -0.151 0.000 1.044 44 V CB -0.741 31.016 31.823 -0.111 0.000 0.653 44 V HN 0.335 nan 8.190 nan 0.000 0.448 45 L N -1.101 119.860 121.223 -0.437 0.000 2.187 45 L HA -0.213 4.127 4.340 -0.000 0.000 0.213 45 L C 2.551 179.183 176.870 -0.396 0.000 1.100 45 L CA 1.690 56.115 54.840 -0.691 0.000 0.765 45 L CB -0.518 41.230 42.059 -0.518 0.000 0.904 45 L HN 0.371 nan 8.230 nan 0.000 0.437 46 K N -0.578 119.670 120.400 -0.253 0.000 2.141 46 K HA -0.025 4.294 4.320 -0.000 0.000 0.202 46 K C 1.950 178.504 176.600 -0.077 0.000 1.045 46 K CA 0.780 56.987 56.287 -0.133 0.000 0.971 46 K CB 0.169 32.596 32.500 -0.123 0.000 0.795 46 K HN 0.301 nan 8.250 nan 0.000 0.459 47 E N 0.700 120.852 120.200 -0.079 0.000 2.057 47 E HA -0.016 4.334 4.350 -0.000 0.000 0.190 47 E C 0.196 176.792 176.600 -0.005 0.000 0.969 47 E CA 0.630 57.007 56.400 -0.038 0.000 0.812 47 E CB 0.256 29.930 29.700 -0.043 0.000 0.777 47 E HN -0.075 nan 8.360 nan 0.000 0.455 48 K N 1.591 121.993 120.400 0.002 0.000 2.118 48 K HA 0.126 4.446 4.320 -0.000 0.000 0.264 48 K C 0.014 176.701 176.600 0.145 0.000 1.000 48 K CA -0.162 56.157 56.287 0.054 0.000 0.929 48 K CB 1.328 33.859 32.500 0.051 0.000 1.021 48 K HN 0.073 nan 8.250 nan 0.000 0.463 49 T N -0.671 113.949 114.554 0.108 0.000 2.847 49 T HA 0.287 4.636 4.350 -0.000 0.000 0.279 49 T C -1.786 172.905 174.700 -0.015 0.000 0.984 49 T CA -1.713 60.439 62.100 0.086 0.000 0.988 49 T CB 0.998 69.875 68.868 0.015 0.000 1.040 49 T HN 0.214 nan 8.240 nan 0.000 0.528 50 P HA -0.080 nan 4.420 nan 0.000 0.210 50 P C 1.369 178.566 177.300 -0.172 0.000 1.189 50 P CA 1.086 63.885 63.100 -0.503 0.000 0.920 50 P CB -0.085 31.280 31.700 -0.558 0.000 0.782 51 D N -0.099 120.236 120.400 -0.109 0.000 2.154 51 D HA -0.242 4.398 4.640 -0.000 0.000 0.190 51 D C 1.826 178.121 176.300 -0.007 0.000 1.003 51 D CA 1.403 55.381 54.000 -0.036 0.000 0.849 51 D CB -0.660 40.125 40.800 -0.026 0.000 0.942 51 D HN 0.363 nan 8.370 nan 0.000 0.446 52 E N 0.187 120.384 120.200 -0.005 0.000 2.169 52 E HA -0.182 4.167 4.350 -0.000 0.000 0.202 52 E C 2.199 178.814 176.600 0.026 0.000 1.016 52 E CA 0.700 57.107 56.400 0.012 0.000 0.817 52 E CB -0.112 29.600 29.700 0.020 0.000 0.736 52 E HN 0.072 nan 8.360 nan 0.000 0.462 53 V N 0.961 120.903 119.914 0.046 0.000 2.427 53 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 53 V C 1.973 178.126 176.094 0.097 0.000 1.051 53 V CA 1.282 63.632 62.300 0.082 0.000 1.048 53 V CB -0.169 31.730 31.823 0.128 0.000 0.666 53 V HN 0.245 nan 8.190 nan 0.000 0.456 54 I N -0.374 120.261 120.570 0.108 0.000 2.113 54 I HA -0.175 3.995 4.170 -0.000 0.000 0.238 54 I C 2.542 178.654 176.117 -0.008 0.000 1.070 54 I CA 1.542 62.908 61.300 0.110 0.000 1.332 54 I CB -0.641 37.427 38.000 0.113 0.000 1.044 54 I HN 0.272 nan 8.210 nan 0.000 0.402 55 E N 0.566 120.762 120.200 -0.007 0.000 2.233 55 E HA -0.298 4.052 4.350 -0.000 0.000 0.199 55 E C 1.879 178.458 176.600 -0.035 0.000 1.004 55 E CA 1.368 57.752 56.400 -0.027 0.000 0.819 55 E CB -0.301 29.391 29.700 -0.014 0.000 0.738 55 E HN 0.457 nan 8.360 nan 0.000 0.478 56 E N 0.184 120.369 120.200 -0.025 0.000 2.216 56 E HA -0.056 4.294 4.350 -0.000 0.000 0.192 56 E C 1.877 178.433 176.600 -0.074 0.000 0.988 56 E CA 0.399 56.782 56.400 -0.030 0.000 0.834 56 E CB 0.234 29.929 29.700 -0.008 0.000 0.772 56 E HN 0.045 nan 8.360 nan 0.000 0.479 57 V N 0.466 120.306 119.914 -0.123 0.000 2.825 57 V HA -0.007 4.112 4.120 -0.000 0.000 0.246 57 V C 2.271 178.234 176.094 -0.218 0.000 1.068 57 V CA 1.303 63.465 62.300 -0.230 0.000 1.088 57 V CB -0.304 31.278 31.823 -0.401 0.000 0.733 57 V HN 0.202 nan 8.190 nan 0.000 0.468 58 K N 0.771 121.062 120.400 -0.182 0.000 2.147 58 K HA -0.175 4.144 4.320 -0.000 0.000 0.205 58 K C 2.298 178.836 176.600 -0.103 0.000 1.049 58 K CA 1.382 57.575 56.287 -0.157 0.000 0.936 58 K CB -0.049 32.374 32.500 -0.129 0.000 0.722 58 K HN 0.310 nan 8.250 nan 0.000 0.446 59 R N 0.378 120.834 120.500 -0.074 0.000 2.161 59 R HA -0.045 4.294 4.340 -0.000 0.000 0.213 59 R C 2.200 178.496 176.300 -0.006 0.000 1.055 59 R CA 1.291 57.370 56.100 -0.036 0.000 0.996 59 R CB -0.007 30.280 30.300 -0.022 0.000 0.901 59 R HN 0.296 nan 8.270 nan 0.000 0.456 60 S N -0.849 114.841 115.700 -0.016 0.000 2.402 60 S HA 0.003 4.473 4.470 -0.000 0.000 0.229 60 S C 1.333 176.061 174.600 0.214 0.000 1.021 60 S CA 0.824 59.073 58.200 0.082 0.000 0.974 60 S CB -0.076 63.042 63.200 -0.137 0.000 0.800 60 S HN 0.504 nan 8.310 nan 0.000 0.484 61 G N 0.694 109.530 108.800 0.060 0.000 2.204 61 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.244 61 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.244 61 G C -0.365 174.596 174.900 0.102 0.000 1.062 61 G CA 0.106 45.228 45.100 0.036 0.000 0.798 61 G HN 0.797 nan 8.290 nan 0.000 0.496 62 L N 0.852 122.114 121.223 0.065 0.000 2.290 62 L HA 0.764 5.104 4.340 -0.000 0.000 0.284 62 L C 0.615 177.431 176.870 -0.090 0.000 1.078 62 L CA -0.794 54.086 54.840 0.065 0.000 0.815 62 L CB 0.445 42.435 42.059 -0.115 0.000 1.162 62 L HN 0.288 nan 8.230 nan 0.000 0.435 63 R N 3.720 124.143 120.500 -0.128 0.000 2.532 63 R HA 0.564 4.904 4.340 -0.000 0.000 0.295 63 R C 0.017 176.282 176.300 -0.057 0.000 0.968 63 R CA -0.653 55.327 56.100 -0.202 0.000 0.916 63 R CB 1.124 31.083 30.300 -0.568 0.000 1.124 63 R HN 0.900 nan 8.270 nan 0.000 0.463 64 G N 1.949 110.775 108.800 0.044 0.000 2.202 64 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.251 64 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.251 64 G C 0.478 175.472 174.900 0.155 0.000 1.219 64 G CA -0.328 44.839 45.100 0.112 0.000 0.943 64 G HN 0.421 nan 8.290 nan 0.000 0.465 65 R N 2.670 123.245 120.500 0.125 0.000 2.346 65 R HA 0.034 4.374 4.340 -0.000 0.000 0.225 65 R C 2.057 178.417 176.300 0.100 0.000 0.987 65 R CA 0.352 56.524 56.100 0.121 0.000 1.106 65 R CB -0.082 30.252 30.300 0.056 0.000 1.090 65 R HN 0.592 nan 8.270 nan 0.000 0.502 66 G N -0.425 108.446 108.800 0.118 0.000 2.511 66 G HA2 0.065 4.024 3.960 -0.000 0.000 0.217 66 G HA3 0.065 4.024 3.960 -0.000 0.000 0.217 66 G C 1.002 175.972 174.900 0.116 0.000 1.133 66 G CA 0.786 45.947 45.100 0.103 0.000 0.792 66 G HN 0.463 nan 8.290 nan 0.000 0.539 67 G N -0.765 108.122 108.800 0.144 0.000 2.617 67 G HA2 0.050 4.010 3.960 -0.000 0.000 0.197 67 G HA3 0.050 4.010 3.960 -0.000 0.000 0.197 67 G C 1.454 176.457 174.900 0.173 0.000 1.017 67 G CA 0.937 46.119 45.100 0.137 0.000 0.713 67 G HN 0.940 nan 8.290 nan 0.000 0.481 68 A N 0.502 123.439 122.820 0.196 0.000 1.835 68 A HA 0.449 4.769 4.320 -0.000 0.000 0.215 68 A C 2.629 180.388 177.584 0.292 0.000 1.199 68 A CA 3.146 55.316 52.037 0.221 0.000 0.615 68 A CB -0.956 18.172 19.000 0.212 0.000 0.838 68 A HN 2.518 nan 8.150 nan 0.000 0.444 69 G N -2.365 106.629 108.800 0.323 0.000 2.356 69 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.233 69 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.233 69 G C -0.197 174.779 174.900 0.126 0.000 1.105 69 G CA 0.024 45.317 45.100 0.322 0.000 0.861 69 G HN 0.852 nan 8.290 nan 0.000 0.493 70 F N 0.997 120.965 119.950 0.029 0.000 2.404 70 F HA 0.644 5.171 4.527 -0.000 0.000 0.339 70 F C -1.938 173.823 175.800 -0.065 0.000 1.105 70 F CA -2.834 55.166 58.000 0.001 0.000 1.087 70 F CB 1.538 40.566 39.000 0.046 0.000 1.143 70 F HN -0.050 nan 8.300 nan 0.000 0.491 71 P HA -0.034 nan 4.420 nan 0.000 0.248 71 P C 0.821 178.135 177.300 0.023 0.000 1.254 71 P CA 0.651 63.634 63.100 -0.195 0.000 1.252 71 P CB -0.205 31.273 31.700 -0.369 0.000 1.465 72 T N -0.190 114.334 114.554 -0.050 0.000 2.760 72 T HA -0.235 4.115 4.350 -0.000 0.000 0.269 72 T C 2.053 176.416 174.700 -0.561 0.000 1.047 72 T CA 1.630 63.589 62.100 -0.236 0.000 1.139 72 T CB -1.166 67.498 68.868 -0.339 0.000 0.855 72 T HN 0.333 nan 8.240 nan 0.000 0.471 73 G N 1.847 110.375 108.800 -0.454 0.000 2.511 73 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.216 73 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.216 73 G C 1.422 176.133 174.900 -0.316 0.000 1.218 73 G CA 1.015 45.842 45.100 -0.455 0.000 0.788 73 G HN 0.493 nan 8.290 nan 0.000 0.560 74 L N 1.111 122.205 121.223 -0.215 0.000 2.043 74 L HA -0.069 4.271 4.340 -0.000 0.000 0.212 74 L C 2.664 179.332 176.870 -0.338 0.000 1.075 74 L CA 2.688 57.379 54.840 -0.249 0.000 0.752 74 L CB -0.663 41.321 42.059 -0.125 0.000 0.891 74 L HN 0.330 nan 8.230 nan 0.000 0.432 75 K N -1.697 118.695 120.400 -0.013 0.000 2.160 75 K HA -0.241 4.079 4.320 -0.000 0.000 0.206 75 K C 1.803 178.508 176.600 0.175 0.000 1.047 75 K CA 1.871 58.194 56.287 0.060 0.000 0.930 75 K CB -0.286 32.279 32.500 0.108 0.000 0.720 75 K HN 0.437 nan 8.250 nan 0.000 0.450 76 W N 0.477 121.709 121.300 -0.114 0.000 2.576 76 W HA 0.048 4.708 4.660 -0.000 0.000 0.270 76 W C 2.399 178.840 176.519 -0.131 0.000 1.255 76 W CA 0.817 58.114 57.345 -0.081 0.000 1.314 76 W CB -1.008 28.418 29.460 -0.057 0.000 1.101 76 W HN 0.198 nan 8.180 nan 0.000 0.595 77 S N -0.289 115.376 115.700 -0.059 0.000 2.465 77 S HA -0.193 4.277 4.470 -0.000 0.000 0.241 77 S C 1.601 176.127 174.600 -0.123 0.000 1.000 77 S CA 0.929 59.036 58.200 -0.156 0.000 0.964 77 S CB -0.983 62.039 63.200 -0.297 0.000 0.763 77 S HN 0.051 nan 8.310 nan 0.000 0.512 78 F N 1.359 121.347 119.950 0.062 0.000 2.512 78 F HA 0.407 4.934 4.527 -0.000 0.000 0.296 78 F C 1.517 177.317 175.800 -0.000 0.000 1.110 78 F CA -0.551 57.453 58.000 0.007 0.000 1.446 78 F CB -0.681 38.289 39.000 -0.051 0.000 1.092 78 F HN 0.161 nan 8.300 nan 0.000 0.554 79 M N 1.029 120.729 119.600 0.166 0.000 2.252 79 M HA 0.083 4.562 4.480 -0.000 0.000 0.321 79 M C -1.816 174.518 176.300 0.056 0.000 1.070 79 M CA -1.457 53.877 55.300 0.057 0.000 1.143 79 M CB -0.568 32.039 32.600 0.012 0.000 1.498 79 M HN -0.198 nan 8.290 nan 0.000 0.445 80 P HA 0.082 nan 4.420 nan 0.000 0.271 80 P C 0.168 177.555 177.300 0.145 0.000 1.244 80 P CA -0.116 63.034 63.100 0.084 0.000 0.793 80 P CB 0.609 32.359 31.700 0.083 0.000 0.984 81 K N 0.654 121.128 120.400 0.123 0.000 2.467 81 K HA 0.131 4.451 4.320 -0.000 0.000 0.231 81 K C -0.418 176.237 176.600 0.091 0.000 1.065 81 K CA 0.563 56.904 56.287 0.091 0.000 1.004 81 K CB -0.856 31.679 32.500 0.058 0.000 1.309 81 K HN 0.431 nan 8.250 nan 0.000 0.462 82 D N 1.152 121.594 120.400 0.071 0.000 2.425 82 D HA 0.243 4.883 4.640 -0.000 0.000 0.240 82 D C -0.508 175.833 176.300 0.068 0.000 1.080 82 D CA -0.711 53.320 54.000 0.052 0.000 0.836 82 D CB 1.509 42.329 40.800 0.033 0.000 1.125 82 D HN 0.429 nan 8.370 nan 0.000 0.525 83 D N 1.068 121.512 120.400 0.074 0.000 2.249 83 D HA 0.089 4.729 4.640 -0.000 0.000 0.371 83 D C 1.412 177.752 176.300 0.067 0.000 1.055 83 D CA 0.101 54.154 54.000 0.088 0.000 0.897 83 D CB -0.297 40.588 40.800 0.142 0.000 1.466 83 D HN 0.734 nan 8.370 nan 0.000 0.516 84 G N 1.597 110.415 108.800 0.030 0.000 2.143 84 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.248 84 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.248 84 G C 0.045 174.956 174.900 0.018 0.000 0.991 84 G CA 0.505 45.606 45.100 0.003 0.000 0.689 84 G HN 0.412 nan 8.290 nan 0.000 0.522 85 K N -0.248 120.194 120.400 0.071 0.000 2.118 85 K HA 0.453 4.773 4.320 -0.000 0.000 0.264 85 K C 0.473 177.144 176.600 0.119 0.000 1.000 85 K CA -0.742 55.636 56.287 0.151 0.000 0.929 85 K CB 0.800 33.465 32.500 0.274 0.000 1.021 85 K HN 0.145 nan 8.250 nan 0.000 0.463 86 Q N 2.641 122.531 119.800 0.151 0.000 2.286 86 Q HA 0.014 4.354 4.340 -0.000 0.000 0.267 86 Q C -1.208 174.936 176.000 0.239 0.000 1.028 86 Q CA 0.809 56.648 55.803 0.061 0.000 0.901 86 Q CB 0.215 28.971 28.738 0.030 0.000 1.183 86 Q HN 0.461 nan 8.270 nan 0.000 0.392 87 H N 3.679 122.735 119.070 -0.024 0.000 2.459 87 H HA 0.310 4.866 4.556 -0.000 0.000 0.332 87 H C -0.977 174.375 175.328 0.041 0.000 1.094 87 H CA -0.850 55.247 56.048 0.082 0.000 1.224 87 H CB 0.912 30.718 29.762 0.073 0.000 1.449 87 H HN 0.594 nan 8.280 nan 0.000 0.484 88 Y N 1.775 122.246 120.300 0.285 0.000 2.409 88 Y HA 0.264 4.814 4.550 -0.000 0.000 0.339 88 Y C -0.357 175.675 175.900 0.220 0.000 1.033 88 Y CA -0.994 57.282 58.100 0.293 0.000 1.094 88 Y CB 1.449 40.091 38.460 0.303 0.000 1.210 88 Y HN 0.400 nan 8.280 nan 0.000 0.456 89 L N 4.260 125.730 121.223 0.411 0.000 2.346 89 L HA 0.744 5.084 4.340 -0.000 0.000 0.276 89 L C -1.472 175.590 176.870 0.321 0.000 1.006 89 L CA -0.531 54.476 54.840 0.278 0.000 0.817 89 L CB 1.019 43.226 42.059 0.247 0.000 1.272 89 L HN 0.566 nan 8.230 nan 0.000 0.421 90 I N 4.516 125.223 120.570 0.228 0.000 2.498 90 I HA 0.326 4.496 4.170 -0.000 0.000 0.290 90 I C -0.976 175.247 176.117 0.176 0.000 1.032 90 I CA -0.626 60.805 61.300 0.219 0.000 1.073 90 I CB 1.976 40.055 38.000 0.130 0.000 1.251 90 I HN 0.656 nan 8.210 nan 0.000 0.426 91 C N 6.259 125.673 119.300 0.191 0.000 2.239 91 C HA 0.240 4.700 4.460 -0.000 0.000 0.325 91 C C 0.614 175.690 174.990 0.144 0.000 1.231 91 C CA -0.545 58.569 59.018 0.160 0.000 1.652 91 C CB -0.701 27.136 27.740 0.161 0.000 2.284 91 C HN 0.863 nan 8.230 nan 0.000 0.499 92 N N 4.334 123.095 118.700 0.102 0.000 2.549 92 N HA 0.265 5.005 4.740 -0.000 0.000 0.267 92 N C 0.599 176.162 175.510 0.088 0.000 1.182 92 N CA -0.027 53.062 53.050 0.065 0.000 1.019 92 N CB 0.405 38.901 38.487 0.015 0.000 1.380 92 N HN 0.871 nan 8.380 nan 0.000 0.505 93 A N 2.838 125.741 122.820 0.139 0.000 2.684 93 A HA 0.055 4.375 4.320 -0.000 0.000 0.288 93 A C 0.905 178.568 177.584 0.132 0.000 1.337 93 A CA -0.398 51.725 52.037 0.143 0.000 0.946 93 A CB 0.036 19.133 19.000 0.161 0.000 1.093 93 A HN 0.720 nan 8.150 nan 0.000 0.543 94 D N 0.515 120.977 120.400 0.104 0.000 2.349 94 D HA -0.084 4.556 4.640 -0.000 0.000 0.224 94 D C 0.775 177.060 176.300 -0.025 0.000 1.029 94 D CA -0.026 54.015 54.000 0.068 0.000 0.879 94 D CB -0.282 40.508 40.800 -0.017 0.000 0.906 94 D HN 0.560 nan 8.370 nan 0.000 0.528 95 E N 0.117 120.320 120.200 0.005 0.000 3.212 95 E HA -0.192 4.158 4.350 -0.000 0.000 0.266 95 E C -0.274 176.321 176.600 -0.008 0.000 0.836 95 E CA 0.244 56.665 56.400 0.035 0.000 1.012 95 E CB -0.317 29.450 29.700 0.111 0.000 0.777 95 E HN 0.098 nan 8.360 nan 0.000 0.505 96 S N 3.153 118.914 115.700 0.102 0.000 2.733 96 S HA 0.027 4.496 4.470 -0.000 0.000 0.247 96 S C 0.004 174.809 174.600 0.342 0.000 1.043 96 S CA -0.479 57.834 58.200 0.188 0.000 1.066 96 S CB 0.494 63.846 63.200 0.252 0.000 1.045 96 S HN 0.593 nan 8.310 nan 0.000 0.586 97 E N 3.144 123.560 120.200 0.360 0.000 2.257 97 E HA 0.155 4.505 4.350 -0.000 0.000 0.278 97 E C -2.729 173.886 176.600 0.024 0.000 1.049 97 E CA -2.339 54.240 56.400 0.298 0.000 0.876 97 E CB 0.538 30.470 29.700 0.385 0.000 1.035 97 E HN 0.001 nan 8.360 nan 0.000 0.419 98 P HA -0.050 nan 4.420 nan 0.000 0.260 98 P C 0.339 177.581 177.300 -0.097 0.000 1.172 98 P CA 1.303 64.212 63.100 -0.318 0.000 0.760 98 P CB 0.531 31.808 31.700 -0.704 0.000 0.773 99 G N 2.005 110.802 108.800 -0.005 0.000 2.254 99 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.225 99 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.225 99 G C 0.410 175.505 174.900 0.325 0.000 1.003 99 G CA 0.154 45.328 45.100 0.123 0.000 0.622 99 G HN 0.765 nan 8.290 nan 0.000 0.507 100 S N 0.423 116.288 115.700 0.274 0.000 2.480 100 S HA 0.710 5.180 4.470 -0.000 0.000 0.286 100 S C -0.070 174.796 174.600 0.442 0.000 1.180 100 S CA 0.192 58.565 58.200 0.288 0.000 1.075 100 S CB 0.425 63.728 63.200 0.172 0.000 0.996 100 S HN 1.500 nan 8.310 nan 0.000 0.487 101 F N 3.246 123.252 119.950 0.094 0.000 2.413 101 F HA 0.371 4.897 4.527 -0.000 0.000 0.377 101 F C 0.386 176.238 175.800 0.087 0.000 1.427 101 F CA -0.913 57.146 58.000 0.099 0.000 1.050 101 F CB -0.865 38.191 39.000 0.093 0.000 1.526 101 F HN 0.601 nan 8.300 nan 0.000 0.495 102 K N -0.482 119.835 120.400 -0.140 0.000 2.128 102 K HA 0.059 4.379 4.320 -0.000 0.000 0.202 102 K C 0.538 177.119 176.600 -0.032 0.000 1.050 102 K CA 1.223 57.426 56.287 -0.140 0.000 0.966 102 K CB -0.193 32.214 32.500 -0.155 0.000 0.759 102 K HN 0.123 nan 8.250 nan 0.000 0.454 103 D N 1.532 121.939 120.400 0.011 0.000 2.219 103 D HA -0.141 4.499 4.640 -0.000 0.000 0.205 103 D C 1.988 178.284 176.300 -0.006 0.000 0.970 103 D CA 0.779 54.798 54.000 0.032 0.000 0.851 103 D CB -0.136 40.719 40.800 0.091 0.000 0.943 103 D HN 0.274 nan 8.370 nan 0.000 0.488 104 R N 0.270 120.719 120.500 -0.085 0.000 2.143 104 R HA -0.252 4.088 4.340 -0.000 0.000 0.239 104 R C 2.192 178.183 176.300 -0.516 0.000 1.126 104 R CA 1.738 57.523 56.100 -0.526 0.000 0.927 104 R CB -0.488 29.273 30.300 -0.897 0.000 0.860 104 R HN 0.168 nan 8.270 nan 0.000 0.433 105 Y N 0.274 120.507 120.300 -0.112 0.000 2.293 105 Y HA -0.085 4.465 4.550 -0.000 0.000 0.291 105 Y C 2.219 178.079 175.900 -0.066 0.000 1.137 105 Y CA 1.012 59.055 58.100 -0.095 0.000 1.202 105 Y CB -0.287 38.135 38.460 -0.064 0.000 0.990 105 Y HN 0.132 nan 8.280 nan 0.000 0.537 106 I N -0.518 120.094 120.570 0.070 0.000 2.264 106 I HA -0.331 3.839 4.170 -0.000 0.000 0.248 106 I C 2.000 178.127 176.117 0.017 0.000 1.111 106 I CA 1.380 62.710 61.300 0.050 0.000 1.382 106 I CB -0.330 37.681 38.000 0.018 0.000 1.060 106 I HN 0.248 nan 8.210 nan 0.000 0.418 107 L N -0.106 121.101 121.223 -0.025 0.000 2.023 107 L HA -0.172 4.167 4.340 -0.000 0.000 0.205 107 L C 2.367 179.177 176.870 -0.100 0.000 1.073 107 L CA 1.377 56.187 54.840 -0.050 0.000 0.745 107 L CB -0.650 41.383 42.059 -0.044 0.000 0.900 107 L HN 0.180 nan 8.230 nan 0.000 0.435 108 E N -0.039 120.076 120.200 -0.141 0.000 2.265 108 E HA -0.200 4.150 4.350 -0.000 0.000 0.196 108 E C 0.655 177.121 176.600 -0.223 0.000 0.996 108 E CA 1.170 57.446 56.400 -0.206 0.000 0.832 108 E CB 0.127 29.720 29.700 -0.177 0.000 0.756 108 E HN 0.492 nan 8.360 nan 0.000 0.491 109 D N -1.524 118.848 120.400 -0.046 0.000 2.514 109 D HA -0.001 4.639 4.640 -0.000 0.000 0.225 109 D C 0.368 176.793 176.300 0.209 0.000 1.159 109 D CA 0.228 54.270 54.000 0.070 0.000 0.823 109 D CB 1.595 42.457 40.800 0.102 0.000 1.097 109 D HN 0.083 nan 8.370 nan 0.000 0.519 110 V N -3.189 116.813 119.914 0.146 0.000 3.047 110 V HA 0.358 4.478 4.120 -0.000 0.000 0.374 110 V C -2.210 173.916 176.094 0.054 0.000 1.399 110 V CA -1.059 61.340 62.300 0.164 0.000 1.251 110 V CB 0.991 32.912 31.823 0.162 0.000 1.228 110 V HN -0.261 nan 8.190 nan 0.000 0.589 111 P HA -0.252 nan 4.420 nan 0.000 0.216 111 P C 1.273 178.462 177.300 -0.185 0.000 1.151 111 P CA 2.855 65.902 63.100 -0.088 0.000 0.953 111 P CB -0.079 31.540 31.700 -0.136 0.000 0.789 112 H N -1.626 117.332 119.070 -0.185 0.000 2.362 112 H HA -0.185 4.370 4.556 -0.000 0.000 0.294 112 H C 1.872 176.802 175.328 -0.662 0.000 1.113 112 H CA 1.522 57.331 56.048 -0.399 0.000 1.253 112 H CB -1.255 28.137 29.762 -0.616 0.000 1.363 112 H HN 0.046 nan 8.280 nan 0.000 0.494 113 L N 0.515 121.379 121.223 -0.597 0.000 1.978 113 L HA -0.225 4.114 4.340 -0.000 0.000 0.218 113 L C 2.298 179.131 176.870 -0.063 0.000 1.075 113 L CA 1.775 56.483 54.840 -0.220 0.000 0.767 113 L CB -1.007 41.085 42.059 0.055 0.000 0.890 113 L HN 0.420 nan 8.230 nan 0.000 0.434 114 L N -0.878 120.330 121.223 -0.025 0.000 1.971 114 L HA -0.302 4.037 4.340 -0.000 0.000 0.215 114 L C 2.585 179.494 176.870 0.066 0.000 1.072 114 L CA 2.257 57.120 54.840 0.038 0.000 0.758 114 L CB -0.358 41.719 42.059 0.030 0.000 0.889 114 L HN 0.409 nan 8.230 nan 0.000 0.433 115 I N -0.136 120.457 120.570 0.039 0.000 2.143 115 I HA -0.427 3.742 4.170 -0.000 0.000 0.245 115 I C 2.532 178.790 176.117 0.234 0.000 1.068 115 I CA 2.064 63.454 61.300 0.150 0.000 1.326 115 I CB -0.544 37.564 38.000 0.181 0.000 1.028 115 I HN 0.485 nan 8.210 nan 0.000 0.412 116 E N 0.953 121.214 120.200 0.101 0.000 2.038 116 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 116 E C 2.274 178.970 176.600 0.159 0.000 1.000 116 E CA 1.479 57.956 56.400 0.127 0.000 0.803 116 E CB -0.304 29.360 29.700 -0.060 0.000 0.750 116 E HN 0.521 nan 8.360 nan 0.000 0.448 117 G N 1.021 109.901 108.800 0.132 0.000 2.514 117 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.217 117 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.217 117 G C 1.582 176.575 174.900 0.155 0.000 1.198 117 G CA 1.323 46.512 45.100 0.148 0.000 0.780 117 G HN 0.226 nan 8.290 nan 0.000 0.565 118 M N 0.063 119.780 119.600 0.194 0.000 2.195 118 M HA -0.026 4.454 4.480 -0.000 0.000 0.260 118 M C 2.562 178.934 176.300 0.119 0.000 1.066 118 M CA 1.076 56.515 55.300 0.231 0.000 1.089 118 M CB -0.451 32.373 32.600 0.372 0.000 1.377 118 M HN 0.251 nan 8.290 nan 0.000 0.411 119 I N 0.266 120.952 120.570 0.193 0.000 2.142 119 I HA -0.319 3.851 4.170 -0.000 0.000 0.240 119 I C 2.313 178.358 176.117 -0.119 0.000 1.078 119 I CA 1.425 62.739 61.300 0.024 0.000 1.343 119 I CB -0.550 37.640 38.000 0.318 0.000 1.046 119 I HN 0.276 nan 8.210 nan 0.000 0.405 120 L N 0.786 122.010 121.223 0.003 0.000 1.971 120 L HA -0.259 4.081 4.340 -0.000 0.000 0.215 120 L C 2.929 179.761 176.870 -0.063 0.000 1.072 120 L CA 1.742 56.586 54.840 0.006 0.000 0.758 120 L CB -0.911 41.196 42.059 0.080 0.000 0.889 120 L HN 0.266 nan 8.230 nan 0.000 0.433 121 A N 0.297 123.059 122.820 -0.096 0.000 1.892 121 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 121 A C 2.409 179.710 177.584 -0.472 0.000 1.188 121 A CA 2.039 53.825 52.037 -0.419 0.000 0.631 121 A CB -1.523 17.308 19.000 -0.281 0.000 0.822 121 A HN 0.492 nan 8.150 nan 0.000 0.447 122 G N -1.603 106.977 108.800 -0.366 0.000 2.491 122 G HA2 -0.336 3.623 3.960 -0.000 0.000 0.218 122 G HA3 -0.336 3.623 3.960 -0.000 0.000 0.218 122 G C 1.577 176.341 174.900 -0.226 0.000 1.180 122 G CA 1.425 46.296 45.100 -0.382 0.000 0.774 122 G HN 0.598 nan 8.290 nan 0.000 0.562 123 Y N 2.190 122.171 120.300 -0.531 0.000 2.165 123 Y HA -0.039 4.511 4.550 -0.000 0.000 0.286 123 Y C 2.927 178.580 175.900 -0.412 0.000 1.155 123 Y CA 1.242 58.843 58.100 -0.831 0.000 1.164 123 Y CB -0.600 37.253 38.460 -1.012 0.000 0.978 123 Y HN 0.263 nan 8.280 nan 0.000 0.513 124 A N 0.733 123.338 122.820 -0.357 0.000 1.986 124 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 124 A C 1.951 179.350 177.584 -0.308 0.000 1.171 124 A CA 2.085 53.933 52.037 -0.314 0.000 0.640 124 A CB -1.337 17.516 19.000 -0.246 0.000 0.811 124 A HN 0.705 nan 8.150 nan 0.000 0.451 125 I N -6.545 113.831 120.570 -0.324 0.000 3.936 125 I HA 0.488 4.658 4.170 -0.000 0.000 0.330 125 I C 0.294 176.423 176.117 0.020 0.000 1.509 125 I CA -0.601 60.601 61.300 -0.164 0.000 1.126 125 I CB 0.376 38.238 38.000 -0.230 0.000 1.115 125 I HN 0.053 nan 8.210 nan 0.000 0.424 126 R N 1.217 121.687 120.500 -0.049 0.000 3.525 126 R HA -0.146 4.194 4.340 -0.000 0.000 0.276 126 R C -0.046 176.313 176.300 0.098 0.000 1.116 126 R CA 0.868 56.985 56.100 0.029 0.000 0.745 126 R CB -2.421 27.841 30.300 -0.064 0.000 1.185 126 R HN 0.671 nan 8.270 nan 0.000 0.454 127 A N -0.086 122.839 122.820 0.174 0.000 2.253 127 A HA 0.460 4.780 4.320 -0.000 0.000 0.316 127 A C 1.264 179.028 177.584 0.300 0.000 1.327 127 A CA 0.139 52.307 52.037 0.218 0.000 0.917 127 A CB 0.896 20.030 19.000 0.222 0.000 1.162 127 A HN 0.324 nan 8.150 nan 0.000 0.535 128 T N 0.774 115.425 114.554 0.162 0.000 3.088 128 T HA 0.180 4.530 4.350 -0.000 0.000 0.259 128 T C 0.197 174.998 174.700 0.168 0.000 1.122 128 T CA 0.998 63.170 62.100 0.119 0.000 1.095 128 T CB -0.374 68.442 68.868 -0.087 0.000 0.930 128 T HN 0.405 nan 8.240 nan 0.000 0.508 129 V N 0.657 120.644 119.914 0.122 0.000 2.623 129 V HA 0.762 4.881 4.120 -0.000 0.000 0.304 129 V C 0.339 176.529 176.094 0.161 0.000 1.054 129 V CA -0.808 61.463 62.300 -0.048 0.000 0.882 129 V CB 1.572 33.357 31.823 -0.063 0.000 1.002 129 V HN 0.404 nan 8.190 nan 0.000 0.424 130 G N 2.557 111.308 108.800 -0.083 0.000 2.481 130 G HA2 0.728 4.688 3.960 -0.000 0.000 0.315 130 G HA3 0.728 4.688 3.960 -0.000 0.000 0.315 130 G C -1.997 172.929 174.900 0.044 0.000 1.231 130 G CA -0.468 44.734 45.100 0.170 0.000 0.968 130 G HN 0.425 nan 8.290 nan 0.000 0.482 131 Y N -0.133 120.301 120.300 0.223 0.000 2.462 131 Y HA 0.556 5.106 4.550 -0.000 0.000 0.346 131 Y C 0.211 176.221 175.900 0.183 0.000 0.976 131 Y CA -0.833 57.404 58.100 0.227 0.000 1.044 131 Y CB 2.594 41.212 38.460 0.263 0.000 1.230 131 Y HN 0.285 nan 8.280 nan 0.000 0.455 132 I N 3.637 124.391 120.570 0.306 0.000 2.405 132 I HA 0.131 4.301 4.170 -0.000 0.000 0.280 132 I C -1.263 175.007 176.117 0.255 0.000 1.027 132 I CA -0.810 60.630 61.300 0.234 0.000 1.161 132 I CB 0.748 38.835 38.000 0.146 0.000 1.300 132 I HN 0.525 nan 8.210 nan 0.000 0.463 133 Y N 8.095 128.470 120.300 0.125 0.000 2.404 133 Y HA 0.439 4.989 4.550 -0.000 0.000 0.344 133 Y C -0.200 175.738 175.900 0.063 0.000 0.995 133 Y CA -0.676 57.473 58.100 0.082 0.000 1.201 133 Y CB 0.922 39.374 38.460 -0.013 0.000 1.151 133 Y HN 0.304 nan 8.280 nan 0.000 0.517 134 V N 6.270 126.246 119.914 0.103 0.000 2.531 134 V HA 0.579 4.699 4.120 -0.000 0.000 0.301 134 V C -0.493 175.614 176.094 0.022 0.000 1.034 134 V CA -1.311 61.059 62.300 0.117 0.000 0.865 134 V CB 1.391 33.279 31.823 0.109 0.000 0.995 134 V HN 0.840 nan 8.190 nan 0.000 0.424 135 R N 3.300 123.806 120.500 0.010 0.000 2.619 135 R HA 0.135 4.475 4.340 -0.000 0.000 0.268 135 R C 1.170 177.439 176.300 -0.051 0.000 0.990 135 R CA 0.551 56.622 56.100 -0.049 0.000 1.092 135 R CB 0.052 30.220 30.300 -0.219 0.000 0.935 135 R HN 1.041 nan 8.270 nan 0.000 0.415 136 G N 2.144 110.928 108.800 -0.027 0.000 2.448 136 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.219 136 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.219 136 G C 0.795 175.708 174.900 0.022 0.000 1.127 136 G CA 0.492 45.587 45.100 -0.008 0.000 0.766 136 G HN 0.767 nan 8.290 nan 0.000 0.552 137 E N -0.497 119.710 120.200 0.011 0.000 2.338 137 E HA -0.024 4.326 4.350 -0.000 0.000 0.197 137 E C 0.192 176.915 176.600 0.206 0.000 1.007 137 E CA 0.236 56.674 56.400 0.063 0.000 0.849 137 E CB -0.090 29.628 29.700 0.030 0.000 0.774 137 E HN 0.412 nan 8.360 nan 0.000 0.506 138 Y N 1.056 121.346 120.300 -0.017 0.000 2.667 138 Y HA 0.165 4.715 4.550 -0.000 0.000 0.340 138 Y C 1.364 177.236 175.900 -0.046 0.000 1.303 138 Y CA -0.894 57.181 58.100 -0.041 0.000 1.769 138 Y CB -0.368 38.069 38.460 -0.039 0.000 1.804 138 Y HN -0.091 nan 8.280 nan 0.000 0.451 139 R N 1.805 122.360 120.500 0.090 0.000 2.096 139 R HA -0.193 4.147 4.340 -0.000 0.000 0.229 139 R C 2.268 178.556 176.300 -0.021 0.000 1.134 139 R CA 2.164 58.278 56.100 0.023 0.000 0.917 139 R CB -0.270 30.033 30.300 0.006 0.000 0.832 139 R HN 0.474 nan 8.270 nan 0.000 0.430 140 R N -0.144 120.316 120.500 -0.067 0.000 2.136 140 R HA -0.238 4.102 4.340 -0.000 0.000 0.242 140 R C 2.143 178.362 176.300 -0.135 0.000 1.131 140 R CA 2.563 58.588 56.100 -0.124 0.000 0.937 140 R CB -0.973 29.225 30.300 -0.169 0.000 0.863 140 R HN 0.424 nan 8.270 nan 0.000 0.435 141 A N 0.017 122.753 122.820 -0.140 0.000 1.896 141 A HA -0.282 4.037 4.320 -0.000 0.000 0.220 141 A C 2.410 179.964 177.584 -0.050 0.000 1.206 141 A CA 2.547 54.521 52.037 -0.104 0.000 0.647 141 A CB -1.355 17.620 19.000 -0.041 0.000 0.828 141 A HN 0.634 nan 8.150 nan 0.000 0.455 142 A N -0.609 122.205 122.820 -0.010 0.000 1.873 142 A HA -0.153 4.167 4.320 -0.000 0.000 0.215 142 A C 1.790 179.356 177.584 -0.031 0.000 1.186 142 A CA 2.003 54.036 52.037 -0.006 0.000 0.616 142 A CB -0.786 18.217 19.000 0.005 0.000 0.823 142 A HN 0.476 nan 8.150 nan 0.000 0.442 143 D N -0.482 119.891 120.400 -0.044 0.000 2.126 143 D HA -0.173 4.467 4.640 -0.000 0.000 0.190 143 D C 2.274 178.536 176.300 -0.063 0.000 1.001 143 D CA 1.369 55.340 54.000 -0.050 0.000 0.841 143 D CB -0.181 40.581 40.800 -0.064 0.000 0.949 143 D HN 0.241 nan 8.370 nan 0.000 0.446 144 R N 0.204 120.633 120.500 -0.118 0.000 2.082 144 R HA -0.056 4.284 4.340 -0.000 0.000 0.228 144 R C 2.696 178.954 176.300 -0.070 0.000 1.140 144 R CA 0.518 56.534 56.100 -0.139 0.000 0.920 144 R CB -1.387 28.757 30.300 -0.260 0.000 0.828 144 R HN 0.282 nan 8.270 nan 0.000 0.430 145 L N 1.006 122.183 121.223 -0.076 0.000 2.085 145 L HA -0.303 4.037 4.340 -0.000 0.000 0.218 145 L C 2.537 179.379 176.870 -0.046 0.000 1.080 145 L CA 1.646 56.447 54.840 -0.064 0.000 0.776 145 L CB -0.420 41.618 42.059 -0.035 0.000 0.891 145 L HN 0.249 nan 8.230 nan 0.000 0.437 146 E N -0.501 119.683 120.200 -0.026 0.000 2.000 146 E HA -0.246 4.104 4.350 -0.000 0.000 0.199 146 E C 2.163 178.766 176.600 0.004 0.000 1.011 146 E CA 1.430 57.824 56.400 -0.010 0.000 0.836 146 E CB -0.181 29.517 29.700 -0.004 0.000 0.778 146 E HN 0.254 nan 8.360 nan 0.000 0.462 147 Q N -0.114 119.703 119.800 0.028 0.000 2.012 147 Q HA -0.281 4.059 4.340 -0.000 0.000 0.211 147 Q C 2.201 178.255 176.000 0.090 0.000 1.009 147 Q CA 1.972 57.819 55.803 0.075 0.000 0.866 147 Q CB -1.002 27.810 28.738 0.124 0.000 0.945 147 Q HN 0.407 nan 8.270 nan 0.000 0.414 148 A N 0.829 123.688 122.820 0.065 0.000 1.940 148 A HA -0.235 4.085 4.320 -0.000 0.000 0.221 148 A C 2.147 179.683 177.584 -0.080 0.000 1.190 148 A CA 1.939 53.938 52.037 -0.065 0.000 0.647 148 A CB -0.891 17.920 19.000 -0.316 0.000 0.821 148 A HN 0.430 nan 8.150 nan 0.000 0.457 149 I N -1.214 119.321 120.570 -0.058 0.000 2.439 149 I HA -0.219 3.951 4.170 -0.000 0.000 0.251 149 I C 2.450 178.567 176.117 0.001 0.000 1.139 149 I CA 1.336 62.612 61.300 -0.039 0.000 1.438 149 I CB -0.352 37.606 38.000 -0.070 0.000 1.085 149 I HN 0.337 nan 8.210 nan 0.000 0.427 150 K N 1.053 121.465 120.400 0.020 0.000 1.985 150 K HA -0.189 4.131 4.320 -0.000 0.000 0.210 150 K C 1.981 178.614 176.600 0.055 0.000 1.047 150 K CA 1.570 57.873 56.287 0.025 0.000 0.932 150 K CB -0.198 32.322 32.500 0.035 0.000 0.716 150 K HN 0.309 nan 8.250 nan 0.000 0.439 151 E N 0.638 120.911 120.200 0.121 0.000 2.035 151 E HA -0.275 4.075 4.350 -0.000 0.000 0.204 151 E C 2.129 178.819 176.600 0.150 0.000 1.025 151 E CA 1.470 57.969 56.400 0.165 0.000 0.835 151 E CB -0.296 29.591 29.700 0.312 0.000 0.764 151 E HN 0.364 nan 8.360 nan 0.000 0.457 152 A N 1.357 124.319 122.820 0.237 0.000 1.917 152 A HA -0.270 4.049 4.320 -0.000 0.000 0.219 152 A C 2.131 179.737 177.584 0.036 0.000 1.182 152 A CA 1.915 54.072 52.037 0.199 0.000 0.633 152 A CB -0.588 18.559 19.000 0.244 0.000 0.819 152 A HN 0.120 nan 8.150 nan 0.000 0.448 153 R N -0.701 119.803 120.500 0.006 0.000 2.081 153 R HA -0.070 4.270 4.340 -0.000 0.000 0.235 153 R C 2.385 178.635 176.300 -0.083 0.000 1.131 153 R CA 1.301 57.367 56.100 -0.056 0.000 0.960 153 R CB -0.393 29.872 30.300 -0.059 0.000 0.856 153 R HN 0.495 nan 8.270 nan 0.000 0.436 154 A N 1.373 124.158 122.820 -0.058 0.000 1.828 154 A HA -0.149 4.171 4.320 -0.000 0.000 0.215 154 A C 1.864 179.362 177.584 -0.143 0.000 1.203 154 A CA 1.312 53.304 52.037 -0.075 0.000 0.614 154 A CB -0.515 18.465 19.000 -0.035 0.000 0.844 154 A HN 0.238 nan 8.150 nan 0.000 0.445 155 R N -0.390 120.000 120.500 -0.183 0.000 2.397 155 R HA -0.037 4.302 4.340 -0.000 0.000 0.213 155 R C 1.255 177.221 176.300 -0.556 0.000 1.102 155 R CA 0.867 56.761 56.100 -0.343 0.000 1.040 155 R CB -1.224 28.843 30.300 -0.388 0.000 0.844 155 R HN 1.167 nan 8.270 nan 0.000 0.478 156 G N 0.050 108.594 108.800 -0.427 0.000 2.132 156 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.234 156 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.234 156 G C 0.199 174.792 174.900 -0.512 0.000 0.989 156 G CA 0.008 44.851 45.100 -0.428 0.000 0.676 156 G HN 0.345 nan 8.290 nan 0.000 0.522 157 Y N -0.440 119.687 120.300 -0.289 0.000 2.511 157 Y HA 0.566 5.115 4.550 -0.000 0.000 0.279 157 Y C 1.500 177.286 175.900 -0.188 0.000 1.157 157 Y CA 0.043 57.926 58.100 -0.362 0.000 1.300 157 Y CB 0.416 38.538 38.460 -0.564 0.000 1.052 157 Y HN 0.312 nan 8.280 nan 0.000 0.529 158 L N -1.047 120.154 121.223 -0.035 0.000 2.455 158 L HA 0.714 5.053 4.340 -0.000 0.000 0.264 158 L C 0.249 177.059 176.870 -0.100 0.000 0.968 158 L CA -0.375 54.453 54.840 -0.019 0.000 0.827 158 L CB 2.313 44.352 42.059 -0.033 0.000 1.317 158 L HN 0.186 nan 8.230 nan 0.000 0.407 159 G N 1.572 110.309 108.800 -0.106 0.000 2.280 159 G HA2 -0.126 3.833 3.960 -0.000 0.000 0.277 159 G HA3 -0.126 3.833 3.960 -0.000 0.000 0.277 159 G C -0.086 174.744 174.900 -0.117 0.000 1.288 159 G CA -0.004 45.021 45.100 -0.125 0.000 1.075 159 G HN 0.651 nan 8.290 nan 0.000 0.480 160 K N -0.375 119.961 120.400 -0.106 0.000 2.125 160 K HA -0.208 4.112 4.320 -0.000 0.000 0.232 160 K C 0.428 176.980 176.600 -0.079 0.000 0.868 160 K CA 2.169 58.403 56.287 -0.088 0.000 1.003 160 K CB -0.304 32.150 32.500 -0.077 0.000 0.615 160 K HN 0.424 nan 8.250 nan 0.000 0.685 161 N N 1.068 119.727 118.700 -0.068 0.000 2.569 161 N HA 0.182 4.922 4.740 -0.000 0.000 0.254 161 N C -1.191 174.287 175.510 -0.053 0.000 1.004 161 N CA -0.188 52.846 53.050 -0.027 0.000 0.904 161 N CB 0.967 39.454 38.487 -0.001 0.000 1.165 161 N HN 0.208 nan 8.380 nan 0.000 0.513 162 L N 4.000 125.206 121.223 -0.027 0.000 2.597 162 L HA 0.049 4.388 4.340 -0.000 0.000 0.271 162 L C 0.387 177.253 176.870 -0.006 0.000 1.157 162 L CA 0.070 54.781 54.840 -0.215 0.000 0.928 162 L CB -0.673 41.405 42.059 0.032 0.000 1.216 162 L HN 0.586 nan 8.230 nan 0.000 0.481 163 F N 1.793 121.783 119.950 0.067 0.000 3.105 163 F HA -0.285 4.241 4.527 -0.000 0.000 0.280 163 F C 1.403 177.224 175.800 0.035 0.000 0.894 163 F CA 0.678 58.708 58.000 0.048 0.000 0.992 163 F CB -2.513 36.521 39.000 0.056 0.000 1.047 163 F HN 0.856 nan 8.300 nan 0.000 0.607 164 G N -0.431 108.455 108.800 0.144 0.000 2.527 164 G HA2 0.025 3.985 3.960 -0.000 0.000 0.262 164 G HA3 0.025 3.985 3.960 -0.000 0.000 0.262 164 G C 0.617 175.606 174.900 0.148 0.000 1.153 164 G CA 1.468 46.635 45.100 0.111 0.000 0.954 164 G HN 2.190 nan 8.290 nan 0.000 0.552 165 T N -1.064 113.568 114.554 0.129 0.000 3.852 165 T HA -0.117 4.233 4.350 -0.000 0.000 0.361 165 T C 0.810 175.617 174.700 0.179 0.000 0.759 165 T CA 1.814 63.995 62.100 0.134 0.000 1.899 165 T CB -2.440 66.500 68.868 0.120 0.000 1.822 165 T HN 2.697 nan 8.240 nan 0.000 0.778 166 D N -1.573 118.913 120.400 0.143 0.000 2.814 166 D HA -0.251 4.388 4.640 -0.000 0.000 0.225 166 D C -0.198 176.237 176.300 0.224 0.000 1.170 166 D CA 0.998 55.083 54.000 0.142 0.000 0.638 166 D CB -1.578 39.290 40.800 0.114 0.000 1.050 166 D HN 0.757 nan 8.370 nan 0.000 0.418 167 F N 1.042 121.045 119.950 0.090 0.000 2.477 167 F HA 0.405 4.931 4.527 -0.000 0.000 0.335 167 F C -0.347 175.517 175.800 0.107 0.000 1.130 167 F CA -0.873 57.198 58.000 0.117 0.000 0.948 167 F CB 1.783 40.876 39.000 0.155 0.000 1.154 167 F HN -0.190 nan 8.300 nan 0.000 0.439 168 S N 5.828 121.201 115.700 -0.544 0.000 2.608 168 S HA 0.758 5.228 4.470 -0.000 0.000 0.291 168 S C -1.575 172.678 174.600 -0.579 0.000 1.146 168 S CA -0.496 57.462 58.200 -0.404 0.000 1.043 168 S CB 1.718 64.780 63.200 -0.231 0.000 1.037 168 S HN 0.548 nan 8.310 nan 0.000 0.520 169 F N 1.504 121.185 119.950 -0.449 0.000 2.688 169 F HA 0.367 4.894 4.527 -0.000 0.000 0.332 169 F C -1.676 174.018 175.800 -0.176 0.000 1.131 169 F CA -0.618 57.187 58.000 -0.324 0.000 1.113 169 F CB 1.282 40.155 39.000 -0.212 0.000 1.359 169 F HN 0.558 nan 8.300 nan 0.000 0.551 170 D N 3.882 123.809 120.400 -0.788 0.000 2.547 170 D HA 0.687 5.327 4.640 -0.000 0.000 0.231 170 D C -1.728 173.989 176.300 -0.972 0.000 1.099 170 D CA -0.217 53.356 54.000 -0.711 0.000 0.901 170 D CB 2.700 43.204 40.800 -0.493 0.000 1.478 170 D HN 0.402 nan 8.370 nan 0.000 0.471 171 L N 1.796 122.540 121.223 -0.799 0.000 2.341 171 L HA 0.485 4.825 4.340 -0.000 0.000 0.267 171 L C -0.516 175.868 176.870 -0.810 0.000 1.009 171 L CA -0.582 53.848 54.840 -0.683 0.000 0.819 171 L CB 1.839 43.689 42.059 -0.349 0.000 1.323 171 L HN 0.384 nan 8.230 nan 0.000 0.425 172 H N 0.744 119.643 119.070 -0.285 0.000 2.771 172 H HA 0.567 5.123 4.556 -0.000 0.000 0.361 172 H C -1.279 174.036 175.328 -0.021 0.000 1.108 172 H CA -0.589 55.345 56.048 -0.190 0.000 1.201 172 H CB 2.362 31.928 29.762 -0.326 0.000 1.681 172 H HN 0.193 nan 8.280 nan 0.000 0.534 173 V N 3.761 123.755 119.914 0.135 0.000 2.370 173 V HA 0.085 4.205 4.120 -0.000 0.000 0.283 173 V C 0.126 176.299 176.094 0.133 0.000 1.023 173 V CA -0.527 61.848 62.300 0.125 0.000 0.857 173 V CB 1.056 32.911 31.823 0.053 0.000 0.985 173 V HN 0.633 nan 8.190 nan 0.000 0.443 174 H N 6.338 125.449 119.070 0.068 0.000 2.504 174 H HA 0.497 5.053 4.556 -0.000 0.000 0.322 174 H C -0.246 174.929 175.328 -0.255 0.000 1.055 174 H CA -0.665 55.358 56.048 -0.041 0.000 1.231 174 H CB 1.036 30.807 29.762 0.016 0.000 1.417 174 H HN 0.576 nan 8.280 nan 0.000 0.472 175 R N 3.211 123.662 120.500 -0.082 0.000 2.265 175 R HA 0.340 4.680 4.340 -0.000 0.000 0.319 175 R C 0.769 176.955 176.300 -0.189 0.000 1.006 175 R CA -0.601 55.414 56.100 -0.141 0.000 0.880 175 R CB 1.445 31.692 30.300 -0.089 0.000 1.077 175 R HN 0.627 nan 8.270 nan 0.000 0.454 176 G N 1.083 109.648 108.800 -0.391 0.000 2.481 176 G HA2 0.354 4.314 3.960 -0.000 0.000 0.251 176 G HA3 0.354 4.314 3.960 -0.000 0.000 0.251 176 G C -0.125 174.765 174.900 -0.016 0.000 1.492 176 G CA 0.065 45.033 45.100 -0.219 0.000 1.060 176 G HN 0.619 nan 8.290 nan 0.000 0.553 177 A N -2.268 120.587 122.820 0.059 0.000 2.816 177 A HA 0.590 4.910 4.320 -0.000 0.000 0.208 177 A C 0.699 178.316 177.584 0.055 0.000 0.896 177 A CA 0.887 52.951 52.037 0.044 0.000 1.183 177 A CB -0.305 18.720 19.000 0.042 0.000 1.249 177 A HN 2.459 nan 8.150 nan 0.000 0.484 178 G N -0.626 108.212 108.800 0.063 0.000 2.325 178 G HA2 0.316 4.275 3.960 -0.000 0.000 0.248 178 G HA3 0.316 4.275 3.960 -0.000 0.000 0.248 178 G C 0.113 175.067 174.900 0.090 0.000 1.108 178 G CA 0.107 45.247 45.100 0.067 0.000 0.881 178 G HN 2.080 nan 8.290 nan 0.000 0.494 179 A N -0.037 122.841 122.820 0.098 0.000 2.702 179 A HA 0.674 4.994 4.320 -0.000 0.000 0.305 179 A C 0.464 178.104 177.584 0.093 0.000 1.213 179 A CA 0.415 52.507 52.037 0.091 0.000 0.745 179 A CB 0.457 19.493 19.000 0.060 0.000 1.161 179 A HN 1.386 nan 8.150 nan 0.000 0.445 180 Y N 3.447 123.750 120.300 0.004 0.000 2.062 180 Y HA -0.331 4.218 4.550 -0.000 0.000 0.276 180 Y C 1.648 177.547 175.900 -0.001 0.000 1.189 180 Y CA 2.832 60.942 58.100 0.016 0.000 1.130 180 Y CB -0.196 38.266 38.460 0.003 0.000 0.959 180 Y HN 0.623 nan 8.280 nan 0.000 0.499 181 I N 0.355 120.853 120.570 -0.121 0.000 2.229 181 I HA -0.391 3.779 4.170 -0.000 0.000 0.250 181 I C 2.289 178.244 176.117 -0.269 0.000 1.096 181 I CA 1.518 62.685 61.300 -0.222 0.000 1.358 181 I CB -1.212 36.754 38.000 -0.058 0.000 1.047 181 I HN 0.496 nan 8.210 nan 0.000 0.422 182 C N 1.279 120.453 119.300 -0.211 0.000 2.388 182 C HA -0.147 4.313 4.460 -0.000 0.000 0.299 182 C C 2.654 177.409 174.990 -0.392 0.000 1.390 182 C CA 0.949 59.796 59.018 -0.286 0.000 1.808 182 C CB -2.498 25.103 27.740 -0.231 0.000 1.831 182 C HN 0.766 nan 8.230 nan 0.000 0.548 183 G N -0.722 107.860 108.800 -0.363 0.000 2.623 183 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.214 183 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.214 183 G C 0.720 175.469 174.900 -0.252 0.000 1.138 183 G CA 0.078 44.989 45.100 -0.315 0.000 0.794 183 G HN 0.518 nan 8.290 nan 0.000 0.535 184 E N 1.676 121.727 120.200 -0.248 0.000 2.406 184 E HA -0.017 4.333 4.350 -0.000 0.000 0.258 184 E C 1.654 178.145 176.600 -0.181 0.000 1.043 184 E CA 0.001 56.295 56.400 -0.177 0.000 0.929 184 E CB 0.449 30.051 29.700 -0.163 0.000 0.969 184 E HN 0.713 nan 8.360 nan 0.000 0.462 185 E N 3.054 123.171 120.200 -0.138 0.000 2.119 185 E HA -0.376 3.974 4.350 -0.000 0.000 0.221 185 E C 1.371 177.870 176.600 -0.169 0.000 1.062 185 E CA 2.501 58.819 56.400 -0.136 0.000 0.894 185 E CB -0.901 28.752 29.700 -0.078 0.000 0.785 185 E HN 0.621 nan 8.360 nan 0.000 0.472 186 T N -1.053 113.409 114.554 -0.152 0.000 2.803 186 T HA -0.034 4.316 4.350 -0.000 0.000 0.269 186 T C 2.094 176.687 174.700 -0.178 0.000 1.052 186 T CA 1.574 63.576 62.100 -0.163 0.000 1.136 186 T CB -0.421 68.353 68.868 -0.157 0.000 0.864 186 T HN 0.430 nan 8.240 nan 0.000 0.467 187 A N 1.569 124.281 122.820 -0.180 0.000 1.873 187 A HA 0.180 4.500 4.320 -0.000 0.000 0.215 187 A C 2.405 179.843 177.584 -0.244 0.000 1.186 187 A CA 1.343 53.274 52.037 -0.177 0.000 0.616 187 A CB -1.032 17.867 19.000 -0.167 0.000 0.823 187 A HN 0.553 nan 8.150 nan 0.000 0.442 188 L N -0.755 120.275 121.223 -0.321 0.000 1.997 188 L HA -0.300 4.040 4.340 -0.000 0.000 0.216 188 L C 2.764 179.398 176.870 -0.392 0.000 1.074 188 L CA 2.243 56.792 54.840 -0.485 0.000 0.763 188 L CB -0.282 41.478 42.059 -0.498 0.000 0.890 188 L HN 0.470 nan 8.230 nan 0.000 0.434 189 M N -0.626 118.780 119.600 -0.323 0.000 2.082 189 M HA -0.280 4.200 4.480 -0.000 0.000 0.258 189 M C 1.999 178.091 176.300 -0.347 0.000 1.071 189 M CA 2.083 57.168 55.300 -0.359 0.000 1.103 189 M CB -0.792 31.612 32.600 -0.326 0.000 1.307 189 M HN 0.337 nan 8.290 nan 0.000 0.409 190 N N 0.263 118.809 118.700 -0.257 0.000 2.104 190 N HA -0.155 4.585 4.740 -0.000 0.000 0.190 190 N C 1.844 177.255 175.510 -0.165 0.000 1.024 190 N CA 1.770 54.702 53.050 -0.198 0.000 0.853 190 N CB -0.535 37.873 38.487 -0.133 0.000 1.008 190 N HN 0.327 nan 8.380 nan 0.000 0.424 191 S N 0.619 116.226 115.700 -0.155 0.000 2.348 191 S HA -0.072 4.398 4.470 -0.000 0.000 0.221 191 S C 1.947 176.505 174.600 -0.070 0.000 1.033 191 S CA 0.999 59.157 58.200 -0.071 0.000 1.010 191 S CB -0.474 62.706 63.200 -0.033 0.000 0.891 191 S HN 0.415 nan 8.310 nan 0.000 0.442 192 L N 1.122 122.240 121.223 -0.175 0.000 2.046 192 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 192 L C 2.455 179.179 176.870 -0.244 0.000 1.077 192 L CA 2.206 56.776 54.840 -0.450 0.000 0.747 192 L CB -0.617 41.146 42.059 -0.493 0.000 0.896 192 L HN 0.457 nan 8.230 nan 0.000 0.432 193 E N -0.409 119.593 120.200 -0.331 0.000 2.510 193 E HA -0.120 4.229 4.350 -0.000 0.000 0.202 193 E C 1.331 177.914 176.600 -0.028 0.000 1.072 193 E CA 0.656 56.870 56.400 -0.310 0.000 0.883 193 E CB -0.144 29.257 29.700 -0.499 0.000 0.818 193 E HN 0.789 nan 8.360 nan 0.000 0.548 194 G N -0.237 108.567 108.800 0.008 0.000 2.194 194 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.236 194 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.236 194 G C 0.260 175.175 174.900 0.025 0.000 0.987 194 G CA 0.362 45.497 45.100 0.058 0.000 0.635 194 G HN 0.197 nan 8.290 nan 0.000 0.520 195 L N -0.166 121.051 121.223 -0.011 0.000 2.472 195 L HA 0.641 4.981 4.340 -0.000 0.000 0.256 195 L C 1.275 178.134 176.870 -0.018 0.000 1.111 195 L CA -1.267 53.564 54.840 -0.016 0.000 0.800 195 L CB 0.288 42.326 42.059 -0.035 0.000 1.286 195 L HN 0.006 nan 8.230 nan 0.000 0.479 196 R N 0.424 120.913 120.500 -0.018 0.000 2.491 196 R HA 0.241 4.581 4.340 -0.000 0.000 0.283 196 R C 0.075 176.357 176.300 -0.030 0.000 1.072 196 R CA -0.302 55.788 56.100 -0.017 0.000 1.048 196 R CB 0.575 30.865 30.300 -0.017 0.000 0.983 196 R HN 0.720 nan 8.270 nan 0.000 0.450 197 A N 4.550 127.352 122.820 -0.030 0.000 3.065 197 A HA -0.018 4.302 4.320 -0.000 0.000 0.262 197 A C -0.290 177.267 177.584 -0.046 0.000 1.901 197 A CA -0.098 51.909 52.037 -0.051 0.000 1.475 197 A CB -0.782 18.189 19.000 -0.048 0.000 0.984 197 A HN 0.614 nan 8.150 nan 0.000 0.618 198 N N 2.267 120.948 118.700 -0.032 0.000 2.456 198 N HA 0.357 5.097 4.740 -0.000 0.000 0.288 198 N C -2.878 172.639 175.510 0.012 0.000 1.059 198 N CA -1.327 51.725 53.050 0.004 0.000 0.946 198 N CB 1.325 39.823 38.487 0.018 0.000 1.150 198 N HN 0.270 nan 8.380 nan 0.000 0.479 199 P HA 0.116 nan 4.420 nan 0.000 0.269 199 P C -0.099 177.239 177.300 0.064 0.000 1.215 199 P CA 0.039 63.124 63.100 -0.024 0.000 0.780 199 P CB 1.302 32.943 31.700 -0.099 0.000 0.898 200 R N 0.703 121.172 120.500 -0.053 0.000 2.580 200 R HA 0.388 4.727 4.340 -0.000 0.000 0.267 200 R C 0.047 176.324 176.300 -0.040 0.000 1.125 200 R CA -1.020 55.081 56.100 0.001 0.000 1.188 200 R CB -0.058 30.195 30.300 -0.078 0.000 1.155 200 R HN 0.358 nan 8.270 nan 0.000 0.586 201 L N 2.059 123.335 121.223 0.088 0.000 2.342 201 L HA 0.094 4.434 4.340 -0.000 0.000 0.285 201 L C 0.492 177.258 176.870 -0.174 0.000 1.095 201 L CA 0.567 55.471 54.840 0.106 0.000 0.843 201 L CB 0.479 42.623 42.059 0.141 0.000 1.201 201 L HN 0.478 nan 8.230 nan 0.000 0.445 202 K N 4.234 124.429 120.400 -0.341 0.000 2.442 202 K HA -0.042 4.278 4.320 -0.000 0.000 0.198 202 K C -0.920 175.219 176.600 -0.767 0.000 1.042 202 K CA 0.777 56.724 56.287 -0.567 0.000 0.958 202 K CB -0.627 31.532 32.500 -0.568 0.000 0.766 202 K HN 0.560 nan 8.250 nan 0.000 0.474 203 P HA -0.143 nan 4.420 nan 0.000 0.217 203 P C -2.057 175.045 177.300 -0.331 0.000 1.148 203 P CA 1.163 64.065 63.100 -0.329 0.000 0.834 203 P CB -0.558 31.058 31.700 -0.141 0.000 0.783 204 P HA 0.226 nan 4.420 nan 0.000 0.206 204 P C -0.648 176.545 177.300 -0.179 0.000 1.849 204 P CA -0.797 62.208 63.100 -0.158 0.000 1.229 204 P CB 0.043 31.689 31.700 -0.090 0.000 1.673 205 F N 4.343 124.247 119.950 -0.077 0.000 2.646 205 F HA -0.044 4.483 4.527 -0.000 0.000 0.363 205 F C -0.153 175.599 175.800 -0.081 0.000 1.143 205 F CA -0.702 57.240 58.000 -0.096 0.000 1.356 205 F CB -0.299 38.621 39.000 -0.133 0.000 1.055 205 F HN 0.268 nan 8.300 nan 0.000 0.606 206 P HA -0.270 nan 4.420 nan 0.000 0.216 206 P C 1.173 178.503 177.300 0.050 0.000 1.150 206 P CA 2.281 65.410 63.100 0.047 0.000 0.837 206 P CB -0.136 31.580 31.700 0.028 0.000 0.786 207 A N 0.080 122.943 122.820 0.071 0.000 1.940 207 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 207 A C 2.241 179.836 177.584 0.019 0.000 1.176 207 A CA 1.784 53.846 52.037 0.040 0.000 0.631 207 A CB -1.242 17.790 19.000 0.053 0.000 0.814 207 A HN 0.276 nan 8.150 nan 0.000 0.446 208 Q N -1.823 118.006 119.800 0.049 0.000 2.396 208 Q HA 0.229 4.569 4.340 -0.000 0.000 0.209 208 Q C -0.035 175.986 176.000 0.036 0.000 0.906 208 Q CA 0.654 56.480 55.803 0.038 0.000 0.927 208 Q CB 0.591 29.364 28.738 0.058 0.000 1.069 208 Q HN 0.397 nan 8.270 nan 0.000 0.523 209 S N -0.568 115.152 115.700 0.034 0.000 2.392 209 S HA 0.531 5.000 4.470 -0.000 0.000 0.246 209 S C -0.660 173.936 174.600 -0.006 0.000 0.999 209 S CA -0.395 57.819 58.200 0.023 0.000 1.059 209 S CB 0.282 63.494 63.200 0.019 0.000 1.194 209 S HN 0.325 nan 8.310 nan 0.000 0.421 210 G N 2.135 110.926 108.800 -0.014 0.000 3.356 210 G HA2 0.553 4.513 3.960 -0.000 0.000 0.178 210 G HA3 0.553 4.513 3.960 -0.000 0.000 0.178 210 G C -0.476 174.332 174.900 -0.154 0.000 1.130 210 G CA -0.766 44.286 45.100 -0.080 0.000 0.800 210 G HN 0.674 nan 8.290 nan 0.000 0.669 211 L N 1.390 122.441 121.223 -0.287 0.000 2.927 211 L HA -0.043 4.296 4.340 -0.000 0.000 0.292 211 L C 0.210 176.871 176.870 -0.348 0.000 1.088 211 L CA 0.400 54.886 54.840 -0.591 0.000 0.969 211 L CB -1.172 40.400 42.059 -0.812 0.000 1.399 211 L HN 0.574 nan 8.230 nan 0.000 0.458 212 W N 4.048 125.214 121.300 -0.222 0.000 4.849 212 W HA -0.238 4.422 4.660 -0.000 0.000 0.358 212 W C 1.396 177.879 176.519 -0.060 0.000 1.331 212 W CA 0.917 58.178 57.345 -0.139 0.000 0.844 212 W CB -2.177 27.187 29.460 -0.160 0.000 2.434 212 W HN 1.054 nan 8.180 nan 0.000 1.458 213 G N -0.764 108.086 108.800 0.084 0.000 2.184 213 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.264 213 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.264 213 G C 0.510 175.480 174.900 0.116 0.000 0.975 213 G CA 0.820 45.969 45.100 0.083 0.000 0.642 213 G HN 0.112 nan 8.290 nan 0.000 0.536 214 K N 0.626 121.122 120.400 0.160 0.000 2.156 214 K HA 0.451 4.771 4.320 -0.000 0.000 0.271 214 K C -2.626 174.086 176.600 0.187 0.000 0.995 214 K CA -2.534 53.903 56.287 0.250 0.000 0.890 214 K CB 1.248 34.053 32.500 0.509 0.000 1.073 214 K HN -0.048 nan 8.250 nan 0.000 0.454 215 P HA -0.054 nan 4.420 nan 0.000 0.254 215 P C -0.232 177.086 177.300 0.029 0.000 1.186 215 P CA 0.568 63.657 63.100 -0.019 0.000 0.868 215 P CB 0.079 31.629 31.700 -0.249 0.000 0.856 216 T N 0.184 114.776 114.554 0.064 0.000 2.905 216 T HA 0.767 5.117 4.350 -0.000 0.000 0.283 216 T C -0.494 174.241 174.700 0.059 0.000 1.031 216 T CA -0.724 61.445 62.100 0.115 0.000 1.002 216 T CB 1.918 70.850 68.868 0.107 0.000 1.200 216 T HN 0.171 nan 8.240 nan 0.000 0.560 217 T N 0.074 114.673 114.554 0.075 0.000 2.956 217 T HA 0.628 4.978 4.350 -0.000 0.000 0.312 217 T C -1.678 173.071 174.700 0.081 0.000 1.151 217 T CA -0.805 61.332 62.100 0.062 0.000 1.024 217 T CB 0.732 69.613 68.868 0.021 0.000 1.140 217 T HN 0.675 nan 8.240 nan 0.000 0.473 218 I N 3.966 124.587 120.570 0.085 0.000 2.466 218 I HA 0.528 4.698 4.170 -0.000 0.000 0.289 218 I C -0.570 175.620 176.117 0.121 0.000 1.026 218 I CA -0.900 60.451 61.300 0.085 0.000 1.078 218 I CB 2.115 40.131 38.000 0.028 0.000 1.249 218 I HN 0.514 nan 8.210 nan 0.000 0.429 219 N N 3.566 122.353 118.700 0.145 0.000 2.321 219 N HA 0.336 5.076 4.740 -0.000 0.000 0.290 219 N C -1.048 174.539 175.510 0.129 0.000 1.212 219 N CA -0.918 52.232 53.050 0.167 0.000 0.767 219 N CB 1.455 40.096 38.487 0.256 0.000 1.494 219 N HN 0.550 nan 8.380 nan 0.000 0.479 220 N N 0.552 119.320 118.700 0.114 0.000 2.515 220 N HA 0.171 4.911 4.740 -0.000 0.000 0.279 220 N C 0.986 176.545 175.510 0.082 0.000 1.164 220 N CA -0.235 52.868 53.050 0.089 0.000 0.982 220 N CB 1.201 39.733 38.487 0.075 0.000 1.170 220 N HN 0.242 nan 8.380 nan 0.000 0.474 221 V N 3.060 123.016 119.914 0.070 0.000 2.232 221 V HA -0.333 3.787 4.120 -0.000 0.000 0.254 221 V C 2.397 178.495 176.094 0.006 0.000 1.058 221 V CA 2.590 64.920 62.300 0.050 0.000 1.048 221 V CB -1.009 30.840 31.823 0.043 0.000 0.668 221 V HN 0.847 nan 8.190 nan 0.000 0.462 222 E N -0.655 119.519 120.200 -0.043 0.000 2.086 222 E HA -0.311 4.039 4.350 -0.000 0.000 0.205 222 E C 2.142 178.695 176.600 -0.078 0.000 1.027 222 E CA 2.432 58.745 56.400 -0.146 0.000 0.830 222 E CB -0.309 29.313 29.700 -0.130 0.000 0.751 222 E HN 0.749 nan 8.360 nan 0.000 0.456 223 T N 1.495 116.061 114.554 0.019 0.000 2.544 223 T HA -0.227 4.123 4.350 -0.000 0.000 0.264 223 T C 1.952 176.715 174.700 0.105 0.000 1.096 223 T CA 1.830 63.972 62.100 0.069 0.000 1.181 223 T CB -0.519 68.411 68.868 0.102 0.000 0.864 223 T HN 0.172 nan 8.240 nan 0.000 0.415 224 L N 0.748 122.057 121.223 0.143 0.000 2.043 224 L HA -0.193 4.146 4.340 -0.000 0.000 0.212 224 L C 3.045 180.010 176.870 0.159 0.000 1.075 224 L CA 1.369 56.323 54.840 0.189 0.000 0.752 224 L CB -0.756 41.413 42.059 0.184 0.000 0.891 224 L HN 0.302 nan 8.230 nan 0.000 0.432 225 A N -0.689 122.195 122.820 0.106 0.000 1.908 225 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 225 A C 2.491 180.281 177.584 0.343 0.000 1.181 225 A CA 2.213 54.336 52.037 0.143 0.000 0.627 225 A CB -0.702 18.282 19.000 -0.026 0.000 0.818 225 A HN 0.401 nan 8.150 nan 0.000 0.445 226 S N -0.355 115.544 115.700 0.330 0.000 2.400 226 S HA -0.146 4.323 4.470 -0.000 0.000 0.232 226 S C 1.774 176.455 174.600 0.135 0.000 1.025 226 S CA 1.342 59.784 58.200 0.403 0.000 0.993 226 S CB -0.537 62.826 63.200 0.272 0.000 0.808 226 S HN 0.374 nan 8.310 nan 0.000 0.478 227 V N 1.398 121.378 119.914 0.110 0.000 2.660 227 V HA -0.177 3.943 4.120 -0.000 0.000 0.257 227 V C 2.148 178.285 176.094 0.071 0.000 1.088 227 V CA 1.304 63.651 62.300 0.079 0.000 1.106 227 V CB -0.895 31.053 31.823 0.209 0.000 0.686 227 V HN 0.339 nan 8.190 nan 0.000 0.481 228 V N 0.813 120.789 119.914 0.104 0.000 2.229 228 V HA -0.107 4.013 4.120 -0.000 0.000 0.243 228 V C 0.401 176.503 176.094 0.014 0.000 1.042 228 V CA 2.563 64.905 62.300 0.070 0.000 1.000 228 V CB -1.606 30.279 31.823 0.103 0.000 0.637 228 V HN 0.535 nan 8.190 nan 0.000 0.446 229 P HA -0.107 nan 4.420 nan 0.000 0.223 229 P C 1.803 179.113 177.300 0.016 0.000 1.151 229 P CA 1.457 64.533 63.100 -0.041 0.000 0.787 229 P CB -0.014 31.673 31.700 -0.021 0.000 0.788 230 I N -1.165 119.406 120.570 0.002 0.000 2.394 230 I HA -0.180 3.990 4.170 -0.000 0.000 0.251 230 I C 2.273 178.378 176.117 -0.020 0.000 1.136 230 I CA 1.195 62.467 61.300 -0.048 0.000 1.425 230 I CB -0.357 37.471 38.000 -0.288 0.000 1.079 230 I HN -0.085 nan 8.210 nan 0.000 0.425 231 M N -0.615 118.971 119.600 -0.023 0.000 2.394 231 M HA -0.065 4.415 4.480 -0.000 0.000 0.266 231 M C 2.082 178.358 176.300 -0.039 0.000 1.098 231 M CA 1.228 56.517 55.300 -0.018 0.000 1.149 231 M CB -1.030 31.569 32.600 -0.003 0.000 1.369 231 M HN 0.185 nan 8.290 nan 0.000 0.450 232 E N 0.959 121.121 120.200 -0.064 0.000 2.107 232 E HA -0.073 4.277 4.350 -0.000 0.000 0.191 232 E C 0.016 176.535 176.600 -0.134 0.000 0.982 232 E CA 0.588 56.924 56.400 -0.107 0.000 0.809 232 E CB 0.467 30.082 29.700 -0.141 0.000 0.756 232 E HN 0.381 nan 8.360 nan 0.000 0.459 233 R N 0.027 120.439 120.500 -0.147 0.000 2.439 233 R HA 0.382 4.722 4.340 -0.000 0.000 0.310 233 R C -0.114 176.212 176.300 0.043 0.000 0.955 233 R CA -0.334 55.672 56.100 -0.156 0.000 0.853 233 R CB 1.608 31.606 30.300 -0.504 0.000 1.171 233 R HN 0.040 nan 8.270 nan 0.000 0.449 234 G N 1.630 110.465 108.800 0.058 0.000 2.382 234 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.239 234 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.239 234 G C 1.183 176.197 174.900 0.190 0.000 0.948 234 G CA 0.365 45.528 45.100 0.105 0.000 0.908 234 G HN 0.822 nan 8.290 nan 0.000 0.415 235 A N 2.378 125.275 122.820 0.129 0.000 1.940 235 A HA -0.210 4.110 4.320 -0.000 0.000 0.221 235 A C 2.129 179.839 177.584 0.211 0.000 1.190 235 A CA 2.273 54.398 52.037 0.146 0.000 0.647 235 A CB -0.391 18.651 19.000 0.069 0.000 0.821 235 A HN 0.720 nan 8.150 nan 0.000 0.457 236 D N -1.772 118.722 120.400 0.157 0.000 2.239 236 D HA -0.225 4.415 4.640 -0.000 0.000 0.202 236 D C 1.495 177.896 176.300 0.169 0.000 0.993 236 D CA 1.596 55.674 54.000 0.130 0.000 0.874 236 D CB -0.373 40.488 40.800 0.102 0.000 0.922 236 D HN 0.870 nan 8.370 nan 0.000 0.464 237 W N 1.012 122.355 121.300 0.072 0.000 2.379 237 W HA -0.165 4.495 4.660 -0.000 0.000 0.307 237 W C 2.076 178.652 176.519 0.096 0.000 1.200 237 W CA 0.660 58.046 57.345 0.068 0.000 1.297 237 W CB -0.775 28.723 29.460 0.063 0.000 1.140 237 W HN -0.132 nan 8.180 nan 0.000 0.507 238 F N 1.627 121.526 119.950 -0.085 0.000 2.046 238 F HA -0.203 4.324 4.527 -0.000 0.000 0.297 238 F C 2.430 178.040 175.800 -0.317 0.000 1.123 238 F CA 3.076 60.877 58.000 -0.332 0.000 1.199 238 F CB -1.222 37.744 39.000 -0.058 0.000 0.972 238 F HN -0.035 nan 8.300 nan 0.000 0.474 239 A N -0.545 122.237 122.820 -0.063 0.000 1.917 239 A HA -0.295 4.025 4.320 -0.000 0.000 0.219 239 A C 1.894 179.364 177.584 -0.191 0.000 1.182 239 A CA 1.558 53.516 52.037 -0.131 0.000 0.633 239 A CB -1.118 17.877 19.000 -0.008 0.000 0.819 239 A HN 0.587 nan 8.150 nan 0.000 0.448 240 Q N -0.603 119.097 119.800 -0.167 0.000 2.800 240 Q HA 0.358 4.698 4.340 -0.000 0.000 0.261 240 Q C -0.390 175.469 176.000 -0.236 0.000 1.093 240 Q CA 0.007 55.726 55.803 -0.140 0.000 0.943 240 Q CB -0.497 28.203 28.738 -0.063 0.000 1.591 240 Q HN 0.605 nan 8.270 nan 0.000 0.429 241 M N 0.173 119.588 119.600 -0.309 0.000 2.437 241 M HA 0.403 4.883 4.480 -0.000 0.000 0.203 241 M C -1.253 174.831 176.300 -0.362 0.000 0.957 241 M CA 0.147 55.221 55.300 -0.376 0.000 0.872 241 M CB 0.955 33.205 32.600 -0.583 0.000 2.556 241 M HN 0.327 nan 8.290 nan 0.000 0.428 242 G N 1.639 110.293 108.800 -0.243 0.000 2.392 242 G HA2 0.051 4.010 3.960 -0.000 0.000 0.677 242 G HA3 0.051 4.010 3.960 -0.000 0.000 0.677 242 G C -0.551 174.279 174.900 -0.117 0.000 1.334 242 G CA -0.334 44.650 45.100 -0.194 0.000 0.961 242 G HN 1.029 nan 8.290 nan 0.000 0.616 243 T N -1.894 112.616 114.554 -0.072 0.000 3.141 243 T HA 0.392 4.742 4.350 -0.000 0.000 0.391 243 T C 1.351 176.044 174.700 -0.011 0.000 1.170 243 T CA 1.239 63.329 62.100 -0.016 0.000 1.054 243 T CB 0.443 69.339 68.868 0.047 0.000 1.487 243 T HN 0.613 nan 8.240 nan 0.000 0.530 244 E N 0.338 120.556 120.200 0.030 0.000 2.107 244 E HA -0.065 4.285 4.350 -0.000 0.000 0.191 244 E C 2.094 178.685 176.600 -0.015 0.000 0.982 244 E CA 0.940 57.344 56.400 0.006 0.000 0.809 244 E CB 0.031 29.743 29.700 0.020 0.000 0.756 244 E HN 0.615 nan 8.360 nan 0.000 0.459 245 Q N -0.581 119.218 119.800 -0.001 0.000 2.149 245 Q HA 0.182 4.522 4.340 -0.000 0.000 0.221 245 Q C -0.324 175.640 176.000 -0.060 0.000 0.807 245 Q CA -0.094 55.688 55.803 -0.035 0.000 1.000 245 Q CB 1.508 30.232 28.738 -0.023 0.000 1.157 245 Q HN -0.108 nan 8.270 nan 0.000 0.487 246 S N 1.103 116.785 115.700 -0.029 0.000 2.080 246 S HA 0.318 4.788 4.470 -0.000 0.000 0.162 246 S C -0.527 173.999 174.600 -0.122 0.000 1.618 246 S CA -0.510 57.670 58.200 -0.033 0.000 1.200 246 S CB 0.343 63.630 63.200 0.145 0.000 1.135 246 S HN 0.056 nan 8.310 nan 0.000 0.455 247 K N 1.529 121.808 120.400 -0.202 0.000 2.138 247 K HA 0.734 5.054 4.320 -0.000 0.000 0.251 247 K C 1.009 177.209 176.600 -0.667 0.000 1.015 247 K CA 0.758 56.821 56.287 -0.373 0.000 0.917 247 K CB 0.354 32.674 32.500 -0.301 0.000 1.021 247 K HN 0.586 nan 8.250 nan 0.000 0.485 248 G N 0.265 108.343 108.800 -1.203 0.000 2.728 248 G HA2 -0.111 3.848 3.960 -0.000 0.000 0.294 248 G HA3 -0.111 3.848 3.960 -0.000 0.000 0.294 248 G C -0.874 173.636 174.900 -0.651 0.000 1.342 248 G CA -0.294 43.844 45.100 -1.604 0.000 0.866 248 G HN 0.555 nan 8.290 nan 0.000 0.534 249 M N -0.480 118.897 119.600 -0.373 0.000 2.363 249 M HA 0.918 5.398 4.480 -0.000 0.000 0.343 249 M C -0.471 175.761 176.300 -0.113 0.000 1.165 249 M CA -1.027 54.148 55.300 -0.208 0.000 1.046 249 M CB 1.507 34.008 32.600 -0.164 0.000 1.648 249 M HN 0.735 nan 8.290 nan 0.000 0.452 250 K N 2.295 122.564 120.400 -0.218 0.000 2.208 250 K HA 0.671 4.991 4.320 -0.000 0.000 0.247 250 K C -1.548 174.767 176.600 -0.476 0.000 0.953 250 K CA -0.576 55.447 56.287 -0.439 0.000 0.837 250 K CB 1.362 33.298 32.500 -0.939 0.000 1.131 250 K HN 0.746 nan 8.250 nan 0.000 0.431 251 L N 4.930 125.909 121.223 -0.406 0.000 2.397 251 L HA 0.329 4.669 4.340 -0.000 0.000 0.263 251 L C -1.024 175.661 176.870 -0.307 0.000 1.136 251 L CA -0.171 54.512 54.840 -0.262 0.000 1.019 251 L CB -0.760 41.196 42.059 -0.171 0.000 1.352 251 L HN 0.519 nan 8.230 nan 0.000 0.420 252 Y N 1.737 121.980 120.300 -0.095 0.000 2.411 252 Y HA 0.393 4.943 4.550 -0.000 0.000 0.333 252 Y C 0.846 176.703 175.900 -0.071 0.000 1.186 252 Y CA -0.285 57.758 58.100 -0.095 0.000 1.381 252 Y CB 0.600 38.992 38.460 -0.114 0.000 1.273 252 Y HN 0.487 nan 8.280 nan 0.000 0.546 253 Q N 3.905 123.749 119.800 0.074 0.000 2.305 253 Q HA 0.604 4.944 4.340 -0.000 0.000 0.271 253 Q C -1.581 174.539 176.000 0.201 0.000 1.046 253 Q CA -0.799 54.995 55.803 -0.016 0.000 0.798 253 Q CB 2.930 31.291 28.738 -0.627 0.000 1.286 253 Q HN 0.828 nan 8.270 nan 0.000 0.435 254 I N 1.515 122.287 120.570 0.337 0.000 2.646 254 I HA 0.640 4.810 4.170 -0.000 0.000 0.299 254 I C -1.128 175.198 176.117 0.348 0.000 1.036 254 I CA -0.495 60.978 61.300 0.288 0.000 1.074 254 I CB 2.133 40.236 38.000 0.171 0.000 1.258 254 I HN 0.956 nan 8.210 nan 0.000 0.430 255 S N 4.106 119.937 115.700 0.218 0.000 2.651 255 S HA 1.011 5.481 4.470 -0.000 0.000 0.279 255 S C -0.286 174.339 174.600 0.042 0.000 1.148 255 S CA -0.232 58.037 58.200 0.114 0.000 0.837 255 S CB 1.437 64.666 63.200 0.050 0.000 1.138 255 S HN 1.455 nan 8.310 nan 0.000 0.478 256 G N 0.499 109.299 108.800 0.000 0.000 2.483 256 G HA2 0.058 4.018 3.960 -0.000 0.000 0.521 256 G HA3 0.058 4.018 3.960 -0.000 0.000 0.521 256 G C -3.241 171.647 174.900 -0.020 0.000 1.278 256 G CA -0.895 44.191 45.100 -0.022 0.000 0.965 256 G HN 0.672 nan 8.290 nan 0.000 0.504 257 P HA 0.349 nan 4.420 nan 0.000 0.238 257 P C -0.150 177.127 177.300 -0.038 0.000 1.649 257 P CA 0.333 63.413 63.100 -0.034 0.000 0.960 257 P CB 0.160 31.831 31.700 -0.047 0.000 1.911 258 V N 0.629 120.533 119.914 -0.018 0.000 2.864 258 V HA 0.291 4.410 4.120 -0.000 0.000 0.314 258 V C 1.619 177.724 176.094 0.019 0.000 1.073 258 V CA -0.806 61.483 62.300 -0.019 0.000 0.956 258 V CB 2.241 34.049 31.823 -0.024 0.000 1.023 258 V HN -0.056 nan 8.190 nan 0.000 0.435 259 K N 3.590 124.006 120.400 0.026 0.000 1.988 259 K HA -0.104 4.215 4.320 -0.000 0.000 0.221 259 K C 0.924 177.569 176.600 0.075 0.000 1.053 259 K CA 2.365 58.682 56.287 0.050 0.000 0.959 259 K CB -0.084 32.451 32.500 0.059 0.000 0.728 259 K HN 0.741 nan 8.250 nan 0.000 0.447 260 R N 0.584 121.150 120.500 0.110 0.000 2.407 260 R HA 0.371 4.710 4.340 -0.000 0.000 0.298 260 R C -2.746 173.703 176.300 0.249 0.000 1.166 260 R CA -1.815 54.385 56.100 0.166 0.000 1.006 260 R CB 1.517 31.935 30.300 0.197 0.000 1.145 260 R HN 0.078 nan 8.270 nan 0.000 0.538 261 P HA 0.482 nan 4.420 nan 0.000 0.279 261 P C 0.142 177.661 177.300 0.365 0.000 1.282 261 P CA 0.306 63.572 63.100 0.276 0.000 0.788 261 P CB 1.251 33.049 31.700 0.164 0.000 1.139 262 G N -1.973 107.114 108.800 0.478 0.000 2.270 262 G HA2 0.083 4.043 3.960 -0.000 0.000 0.268 262 G HA3 0.083 4.043 3.960 -0.000 0.000 0.268 262 G C -1.503 173.580 174.900 0.306 0.000 1.312 262 G CA -0.457 44.899 45.100 0.427 0.000 1.050 262 G HN 0.459 nan 8.290 nan 0.000 0.474 263 V N 0.231 120.086 119.914 -0.098 0.000 2.612 263 V HA 0.752 4.872 4.120 -0.000 0.000 0.301 263 V C -0.944 174.866 176.094 -0.473 0.000 1.046 263 V CA -0.414 61.761 62.300 -0.207 0.000 0.946 263 V CB 1.364 33.057 31.823 -0.215 0.000 1.003 263 V HN 0.697 nan 8.190 nan 0.000 0.459 264 Y N 1.119 121.362 120.300 -0.095 0.000 2.315 264 Y HA 0.321 4.871 4.550 -0.000 0.000 0.324 264 Y C 0.111 175.906 175.900 -0.176 0.000 1.062 264 Y CA -0.721 57.272 58.100 -0.179 0.000 1.159 264 Y CB 1.406 39.691 38.460 -0.291 0.000 1.145 264 Y HN 0.700 nan 8.280 nan 0.000 0.442 265 E N 5.039 125.198 120.200 -0.068 0.000 2.238 265 E HA 0.355 4.705 4.350 -0.000 0.000 0.264 265 E C -1.175 175.274 176.600 -0.252 0.000 1.136 265 E CA 0.223 56.557 56.400 -0.108 0.000 0.929 265 E CB 0.276 29.947 29.700 -0.048 0.000 1.010 265 E HN 0.633 nan 8.360 nan 0.000 0.440 266 L N 5.751 126.903 121.223 -0.118 0.000 2.283 266 L HA 0.598 4.937 4.340 -0.000 0.000 0.259 266 L C -2.269 174.557 176.870 -0.073 0.000 1.027 266 L CA -2.579 52.190 54.840 -0.118 0.000 0.828 266 L CB 2.301 44.371 42.059 0.018 0.000 1.380 266 L HN 0.504 nan 8.230 nan 0.000 0.425 267 P HA 0.120 nan 4.420 nan 0.000 0.286 267 P C -0.593 176.679 177.300 -0.046 0.000 1.269 267 P CA -0.583 62.412 63.100 -0.174 0.000 0.787 267 P CB 1.226 32.752 31.700 -0.290 0.000 0.920 268 M N 3.923 123.478 119.600 -0.074 0.000 2.620 268 M HA 0.161 4.641 4.480 -0.000 0.000 0.378 268 M C 1.181 177.463 176.300 -0.030 0.000 1.764 268 M CA 1.881 57.188 55.300 0.013 0.000 1.103 268 M CB -1.587 30.970 32.600 -0.072 0.000 2.145 268 M HN 0.809 nan 8.290 nan 0.000 0.473 269 G N 1.716 110.511 108.800 -0.009 0.000 2.624 269 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.190 269 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.190 269 G C 0.324 175.132 174.900 -0.154 0.000 1.008 269 G CA 0.049 45.084 45.100 -0.108 0.000 0.731 269 G HN 0.971 nan 8.290 nan 0.000 0.478 270 T N 0.735 115.187 114.554 -0.170 0.000 2.716 270 T HA 0.429 4.779 4.350 -0.000 0.000 0.335 270 T C 0.842 175.391 174.700 -0.253 0.000 1.081 270 T CA 1.620 63.607 62.100 -0.188 0.000 1.073 270 T CB 0.960 69.714 68.868 -0.190 0.000 0.993 270 T HN 1.516 nan 8.240 nan 0.000 0.547 271 T N 0.363 114.828 114.554 -0.148 0.000 2.929 271 T HA 0.459 4.809 4.350 -0.000 0.000 0.284 271 T C 0.870 175.525 174.700 -0.076 0.000 1.014 271 T CA -0.888 61.173 62.100 -0.065 0.000 1.051 271 T CB 0.701 69.594 68.868 0.041 0.000 1.028 271 T HN 0.491 nan 8.240 nan 0.000 0.485 272 F N 0.735 120.638 119.950 -0.079 0.000 2.202 272 F HA 0.077 4.604 4.527 -0.000 0.000 0.301 272 F C 2.769 178.579 175.800 0.018 0.000 1.082 272 F CA 1.189 59.161 58.000 -0.047 0.000 1.313 272 F CB -0.561 38.437 39.000 -0.003 0.000 1.024 272 F HN 0.615 nan 8.300 nan 0.000 0.495 273 R N 0.767 121.419 120.500 0.253 0.000 2.097 273 R HA -0.255 4.085 4.340 -0.000 0.000 0.236 273 R C 2.272 178.708 176.300 0.226 0.000 1.135 273 R CA 2.194 58.451 56.100 0.262 0.000 0.934 273 R CB -0.569 29.830 30.300 0.164 0.000 0.846 273 R HN 0.399 nan 8.270 nan 0.000 0.431 274 E N 0.379 120.650 120.200 0.119 0.000 2.021 274 E HA -0.275 4.075 4.350 -0.000 0.000 0.200 274 E C 2.157 178.827 176.600 0.117 0.000 1.015 274 E CA 1.829 58.277 56.400 0.081 0.000 0.824 274 E CB -0.320 29.429 29.700 0.082 0.000 0.762 274 E HN 0.421 nan 8.360 nan 0.000 0.454 275 L N 0.615 121.894 121.223 0.094 0.000 2.021 275 L HA -0.249 4.091 4.340 -0.000 0.000 0.215 275 L C 2.496 179.347 176.870 -0.033 0.000 1.074 275 L CA 1.643 56.504 54.840 0.036 0.000 0.760 275 L CB -0.251 41.701 42.059 -0.179 0.000 0.889 275 L HN 0.341 nan 8.230 nan 0.000 0.433 276 I N -1.947 118.610 120.570 -0.021 0.000 2.226 276 I HA -0.316 3.854 4.170 -0.000 0.000 0.245 276 I C 1.882 177.834 176.117 -0.274 0.000 1.100 276 I CA 1.477 62.690 61.300 -0.144 0.000 1.374 276 I CB -0.278 37.623 38.000 -0.166 0.000 1.057 276 I HN 0.256 nan 8.210 nan 0.000 0.413 277 Y N -0.003 120.314 120.300 0.029 0.000 2.331 277 Y HA 0.007 4.557 4.550 -0.000 0.000 0.282 277 Y C 2.548 178.403 175.900 -0.075 0.000 1.140 277 Y CA 0.429 58.527 58.100 -0.004 0.000 1.198 277 Y CB -0.705 37.755 38.460 0.000 0.000 1.159 277 Y HN -0.075 nan 8.280 nan 0.000 0.512 278 E N -0.404 119.809 120.200 0.021 0.000 2.086 278 E HA -0.289 4.061 4.350 -0.000 0.000 0.205 278 E C 1.577 177.939 176.600 -0.397 0.000 1.027 278 E CA 2.517 58.748 56.400 -0.281 0.000 0.830 278 E CB -0.289 29.119 29.700 -0.488 0.000 0.751 278 E HN 0.525 nan 8.360 nan 0.000 0.456 279 W N -1.045 120.191 121.300 -0.106 0.000 2.630 279 W HA 0.283 4.943 4.660 -0.000 0.000 0.275 279 W C 2.236 178.592 176.519 -0.272 0.000 1.192 279 W CA 0.267 57.487 57.345 -0.209 0.000 1.410 279 W CB -0.129 29.026 29.460 -0.510 0.000 1.075 279 W HN 0.016 nan 8.180 nan 0.000 0.581 280 A N 0.178 122.933 122.820 -0.109 0.000 2.067 280 A HA 0.358 4.678 4.320 -0.000 0.000 0.217 280 A C 1.863 179.473 177.584 0.044 0.000 1.156 280 A CA 1.322 53.332 52.037 -0.045 0.000 0.683 280 A CB -1.073 17.871 19.000 -0.092 0.000 0.808 280 A HN 0.657 nan 8.150 nan 0.000 0.455 281 G N -2.381 106.443 108.800 0.040 0.000 2.132 281 G HA2 0.292 4.252 3.960 -0.000 0.000 0.234 281 G HA3 0.292 4.252 3.960 -0.000 0.000 0.234 281 G C 1.277 176.227 174.900 0.084 0.000 0.989 281 G CA 0.410 45.554 45.100 0.073 0.000 0.676 281 G HN 2.379 nan 8.290 nan 0.000 0.522 282 G N -1.340 107.458 108.800 -0.003 0.000 2.733 282 G HA2 0.221 4.181 3.960 -0.000 0.000 0.686 282 G HA3 0.221 4.181 3.960 -0.000 0.000 0.686 282 G C -1.741 173.111 174.900 -0.079 0.000 1.373 282 G CA -0.015 45.044 45.100 -0.069 0.000 0.838 282 G HN 0.810 nan 8.290 nan 0.000 0.588 283 P HA 0.365 nan 4.420 nan 0.000 0.271 283 P C 1.001 178.300 177.300 -0.001 0.000 1.233 283 P CA -0.315 62.743 63.100 -0.069 0.000 0.789 283 P CB 0.400 32.054 31.700 -0.078 0.000 0.951 284 L N -0.748 120.467 121.223 -0.015 0.000 2.693 284 L HA 0.324 4.664 4.340 -0.000 0.000 0.235 284 L C 0.840 177.713 176.870 0.006 0.000 1.127 284 L CA 0.583 55.427 54.840 0.006 0.000 0.914 284 L CB 0.082 42.143 42.059 0.003 0.000 1.193 284 L HN 0.436 nan 8.230 nan 0.000 0.502 285 E N -1.463 118.732 120.200 -0.009 0.000 2.439 285 E HA 0.319 4.669 4.350 -0.000 0.000 0.279 285 E C -2.628 173.959 176.600 -0.022 0.000 1.077 285 E CA -1.724 54.672 56.400 -0.006 0.000 0.849 285 E CB 1.977 31.669 29.700 -0.015 0.000 1.408 285 E HN -0.255 nan 8.360 nan 0.000 0.457 286 P HA 0.157 nan 4.420 nan 0.000 0.271 286 P C -1.070 176.172 177.300 -0.097 0.000 1.216 286 P CA -0.003 63.097 63.100 0.000 0.000 0.776 286 P CB 0.401 32.127 31.700 0.042 0.000 0.881 287 I N 2.194 122.626 120.570 -0.230 0.000 2.562 287 I HA 0.240 4.410 4.170 -0.000 0.000 0.301 287 I C 1.326 177.332 176.117 -0.184 0.000 1.003 287 I CA -0.108 60.923 61.300 -0.448 0.000 1.127 287 I CB 1.798 39.067 38.000 -1.218 0.000 1.304 287 I HN 0.450 nan 8.210 nan 0.000 0.446 288 Q N 4.039 123.803 119.800 -0.061 0.000 2.369 288 Q HA 0.708 5.048 4.340 -0.000 0.000 0.254 288 Q C -0.029 176.131 176.000 0.266 0.000 0.858 288 Q CA -0.117 55.786 55.803 0.167 0.000 0.961 288 Q CB 1.037 29.881 28.738 0.178 0.000 1.119 288 Q HN 0.573 nan 8.270 nan 0.000 0.538 289 A N 1.457 124.352 122.820 0.125 0.000 2.604 289 A HA 0.669 4.989 4.320 -0.000 0.000 0.295 289 A C -1.487 176.138 177.584 0.070 0.000 1.067 289 A CA -0.973 51.170 52.037 0.176 0.000 0.683 289 A CB 1.342 20.481 19.000 0.232 0.000 1.281 289 A HN 0.445 nan 8.150 nan 0.000 0.407 290 I N -0.819 119.810 120.570 0.098 0.000 2.498 290 I HA 0.688 4.858 4.170 -0.000 0.000 0.290 290 I C -1.149 175.022 176.117 0.089 0.000 1.032 290 I CA -0.873 60.475 61.300 0.080 0.000 1.073 290 I CB 1.811 39.881 38.000 0.116 0.000 1.251 290 I HN 0.482 nan 8.210 nan 0.000 0.426 291 I N 7.670 128.303 120.570 0.104 0.000 2.287 291 I HA 0.343 4.513 4.170 -0.000 0.000 0.290 291 I C -2.073 174.149 176.117 0.174 0.000 1.069 291 I CA -1.762 59.611 61.300 0.122 0.000 1.237 291 I CB 0.714 38.774 38.000 0.099 0.000 1.418 291 I HN 0.402 nan 8.210 nan 0.000 0.481 292 P HA 0.164 nan 4.420 nan 0.000 0.276 292 P C 0.833 178.255 177.300 0.202 0.000 1.252 292 P CA 0.454 63.749 63.100 0.325 0.000 0.802 292 P CB 1.452 33.387 31.700 0.392 0.000 1.035 293 G N 0.769 109.672 108.800 0.172 0.000 5.218 293 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.342 293 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.342 293 G C 0.401 175.369 174.900 0.113 0.000 1.391 293 G CA 0.740 45.899 45.100 0.100 0.000 1.096 293 G HN 1.003 nan 8.290 nan 0.000 0.831 294 G N -2.712 106.166 108.800 0.130 0.000 2.554 294 G HA2 0.620 4.580 3.960 -0.000 0.000 0.306 294 G HA3 0.620 4.580 3.960 -0.000 0.000 0.306 294 G C 0.578 175.565 174.900 0.145 0.000 1.320 294 G CA 1.107 46.290 45.100 0.138 0.000 0.800 294 G HN 1.364 nan 8.290 nan 0.000 0.481 295 S N -0.586 115.190 115.700 0.127 0.000 2.359 295 S HA -0.110 4.360 4.470 -0.000 0.000 0.224 295 S C 2.115 176.879 174.600 0.274 0.000 1.035 295 S CA 2.407 60.686 58.200 0.132 0.000 1.018 295 S CB -0.511 62.679 63.200 -0.017 0.000 0.876 295 S HN 0.679 nan 8.310 nan 0.000 0.448 296 S N 1.756 117.671 115.700 0.359 0.000 2.889 296 S HA 0.056 4.526 4.470 -0.000 0.000 0.235 296 S C 0.541 175.336 174.600 0.324 0.000 0.978 296 S CA 0.668 59.107 58.200 0.398 0.000 1.010 296 S CB -0.841 62.630 63.200 0.452 0.000 0.799 296 S HN 0.849 nan 8.310 nan 0.000 0.534 297 T N -0.835 113.862 114.554 0.239 0.000 2.907 297 T HA 0.554 4.904 4.350 -0.000 0.000 0.292 297 T C -3.501 171.298 174.700 0.166 0.000 1.043 297 T CA -2.846 59.353 62.100 0.166 0.000 1.003 297 T CB 1.819 70.753 68.868 0.110 0.000 1.084 297 T HN -0.267 nan 8.240 nan 0.000 0.483 298 P HA 0.248 nan 4.420 nan 0.000 0.268 298 P C -2.328 175.067 177.300 0.158 0.000 1.204 298 P CA -1.029 62.166 63.100 0.160 0.000 0.768 298 P CB -0.171 31.597 31.700 0.113 0.000 0.842 299 P HA 0.216 nan 4.420 nan 0.000 0.274 299 P C -0.871 176.542 177.300 0.188 0.000 1.246 299 P CA 0.091 63.298 63.100 0.178 0.000 0.795 299 P CB 0.977 32.787 31.700 0.183 0.000 1.006 300 L N 1.042 122.329 121.223 0.107 0.000 2.388 300 L HA 0.475 4.814 4.340 -0.000 0.000 0.264 300 L C -2.456 174.416 176.870 0.004 0.000 0.998 300 L CA -2.813 52.014 54.840 -0.021 0.000 0.817 300 L CB 2.396 44.390 42.059 -0.107 0.000 1.338 300 L HN 0.153 nan 8.230 nan 0.000 0.414 301 P HA -0.037 nan 4.420 nan 0.000 0.269 301 P C -0.661 176.679 177.300 0.067 0.000 1.209 301 P CA -0.117 62.961 63.100 -0.038 0.000 0.776 301 P CB 0.311 31.845 31.700 -0.277 0.000 0.876 302 F N 3.220 123.166 119.950 -0.005 0.000 2.659 302 F HA 0.182 4.709 4.527 -0.000 0.000 0.360 302 F C 0.548 176.339 175.800 -0.015 0.000 1.218 302 F CA -0.071 57.925 58.000 -0.008 0.000 1.317 302 F CB -0.976 38.045 39.000 0.035 0.000 1.697 302 F HN 0.110 nan 8.300 nan 0.000 0.637 303 T N -0.401 114.034 114.554 -0.197 0.000 2.952 303 T HA 0.297 4.647 4.350 -0.000 0.000 0.286 303 T C 1.174 175.711 174.700 -0.271 0.000 1.024 303 T CA -0.658 61.312 62.100 -0.216 0.000 1.029 303 T CB 1.499 70.283 68.868 -0.139 0.000 1.094 303 T HN 0.288 nan 8.240 nan 0.000 0.515 304 E N 0.945 121.019 120.200 -0.209 0.000 2.012 304 E HA -0.206 4.144 4.350 -0.000 0.000 0.197 304 E C 1.776 178.298 176.600 -0.130 0.000 1.007 304 E CA 1.780 58.078 56.400 -0.171 0.000 0.816 304 E CB -0.532 29.097 29.700 -0.119 0.000 0.762 304 E HN 0.959 nan 8.360 nan 0.000 0.451 305 E N 0.580 120.719 120.200 -0.102 0.000 2.208 305 E HA -0.210 4.140 4.350 -0.000 0.000 0.202 305 E C 1.993 178.540 176.600 -0.087 0.000 1.014 305 E CA 1.720 58.075 56.400 -0.075 0.000 0.819 305 E CB 0.160 29.822 29.700 -0.064 0.000 0.735 305 E HN 0.094 nan 8.360 nan 0.000 0.469 306 V N 0.326 120.156 119.914 -0.141 0.000 2.331 306 V HA -0.193 3.927 4.120 -0.000 0.000 0.242 306 V C 2.463 178.441 176.094 -0.194 0.000 1.034 306 V CA 1.231 63.408 62.300 -0.205 0.000 1.027 306 V CB -0.666 31.000 31.823 -0.262 0.000 0.667 306 V HN 0.264 nan 8.190 nan 0.000 0.457 307 L N 0.223 121.352 121.223 -0.158 0.000 2.129 307 L HA -0.210 4.130 4.340 -0.000 0.000 0.212 307 L C 1.706 178.610 176.870 0.056 0.000 1.087 307 L CA 1.544 56.363 54.840 -0.036 0.000 0.757 307 L CB -0.506 41.502 42.059 -0.085 0.000 0.896 307 L HN 0.416 nan 8.230 nan 0.000 0.434 308 D N -0.635 119.770 120.400 0.009 0.000 2.370 308 D HA 0.066 4.706 4.640 -0.000 0.000 0.230 308 D C 0.231 176.569 176.300 0.063 0.000 1.143 308 D CA 0.244 54.265 54.000 0.035 0.000 0.834 308 D CB 0.311 41.112 40.800 0.002 0.000 0.944 308 D HN 0.188 nan 8.370 nan 0.000 0.504 309 T N 1.606 116.228 114.554 0.113 0.000 2.875 309 T HA 0.315 4.665 4.350 -0.000 0.000 0.284 309 T C -2.530 172.315 174.700 0.242 0.000 0.995 309 T CA -1.528 60.667 62.100 0.158 0.000 1.060 309 T CB 2.073 70.999 68.868 0.097 0.000 0.967 309 T HN -0.143 nan 8.240 nan 0.000 0.476 310 P HA 0.223 nan 4.420 nan 0.000 0.280 310 P C -0.190 177.108 177.300 -0.003 0.000 1.300 310 P CA -0.196 62.834 63.100 -0.117 0.000 0.785 310 P CB 0.058 31.393 31.700 -0.608 0.000 0.874 311 M N 3.001 122.526 119.600 -0.124 0.000 2.922 311 M HA 0.109 4.588 4.480 -0.000 0.000 0.294 311 M C 0.162 176.481 176.300 0.032 0.000 1.556 311 M CA 0.796 56.009 55.300 -0.146 0.000 1.568 311 M CB -0.954 31.293 32.600 -0.588 0.000 1.462 311 M HN 0.323 nan 8.290 nan 0.000 0.489 312 S N 0.484 116.242 115.700 0.097 0.000 2.607 312 S HA 0.434 4.903 4.470 -0.000 0.000 0.273 312 S C -0.340 174.355 174.600 0.158 0.000 1.148 312 S CA -1.021 57.276 58.200 0.162 0.000 0.833 312 S CB 0.768 64.079 63.200 0.184 0.000 1.130 312 S HN 0.492 nan 8.310 nan 0.000 0.470 313 Y N 1.817 122.164 120.300 0.078 0.000 2.542 313 Y HA 0.107 4.657 4.550 -0.000 0.000 0.349 313 Y C 1.648 177.577 175.900 0.047 0.000 1.215 313 Y CA 0.647 58.779 58.100 0.052 0.000 1.253 313 Y CB -0.952 37.520 38.460 0.021 0.000 1.120 313 Y HN 0.867 nan 8.280 nan 0.000 0.487 314 E N -3.454 116.864 120.200 0.196 0.000 3.566 314 E HA -0.009 4.341 4.350 -0.000 0.000 0.241 314 E C 0.992 177.617 176.600 0.042 0.000 1.208 314 E CA 0.010 56.469 56.400 0.099 0.000 1.773 314 E CB -0.375 29.376 29.700 0.084 0.000 1.818 314 E HN 0.345 nan 8.360 nan 0.000 0.865 315 H N 1.232 120.335 119.070 0.055 0.000 2.489 315 H HA 0.089 4.645 4.556 -0.000 0.000 0.295 315 H C 1.936 177.296 175.328 0.054 0.000 1.082 315 H CA 1.432 57.512 56.048 0.053 0.000 1.295 315 H CB 0.130 29.934 29.762 0.070 0.000 1.380 315 H HN 0.098 nan 8.280 nan 0.000 0.548 316 L N -0.599 120.722 121.223 0.163 0.000 2.298 316 L HA -0.056 4.284 4.340 -0.000 0.000 0.209 316 L C 2.414 179.303 176.870 0.032 0.000 1.084 316 L CA 0.408 55.311 54.840 0.104 0.000 0.816 316 L CB -0.081 42.050 42.059 0.119 0.000 0.967 316 L HN 0.209 nan 8.230 nan 0.000 0.460 317 Q N 1.386 121.196 119.800 0.018 0.000 1.975 317 Q HA -0.196 4.144 4.340 -0.000 0.000 0.205 317 Q C 2.060 178.044 176.000 -0.028 0.000 0.990 317 Q CA 2.607 58.399 55.803 -0.019 0.000 0.845 317 Q CB -0.495 28.240 28.738 -0.006 0.000 0.913 317 Q HN 0.347 nan 8.270 nan 0.000 0.420 318 A N -0.460 122.342 122.820 -0.031 0.000 2.225 318 A HA -0.068 4.252 4.320 -0.000 0.000 0.215 318 A C 1.748 179.317 177.584 -0.025 0.000 1.164 318 A CA 1.468 53.480 52.037 -0.041 0.000 0.710 318 A CB -0.404 18.552 19.000 -0.074 0.000 0.780 318 A HN 0.269 nan 8.150 nan 0.000 0.473 319 K N -1.239 119.156 120.400 -0.008 0.000 2.387 319 K HA 0.305 4.624 4.320 -0.000 0.000 0.198 319 K C 1.104 177.710 176.600 0.010 0.000 1.022 319 K CA 0.789 57.077 56.287 0.000 0.000 1.128 319 K CB -0.170 32.335 32.500 0.008 0.000 0.853 319 K HN 0.566 nan 8.250 nan 0.000 0.523 320 G N -1.163 107.637 108.800 -0.000 0.000 2.397 320 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.211 320 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.211 320 G C 0.655 175.546 174.900 -0.016 0.000 1.077 320 G CA 0.331 45.437 45.100 0.010 0.000 0.649 320 G HN 0.408 nan 8.290 nan 0.000 0.511 321 S N 0.184 115.880 115.700 -0.006 0.000 2.430 321 S HA 0.888 5.358 4.470 -0.000 0.000 0.246 321 S C 0.246 174.805 174.600 -0.067 0.000 1.155 321 S CA 1.059 59.244 58.200 -0.026 0.000 1.054 321 S CB 0.210 63.425 63.200 0.024 0.000 1.154 321 S HN 1.585 nan 8.310 nan 0.000 0.482 322 M N 0.596 120.171 119.600 -0.041 0.000 2.724 322 M HA 0.437 4.917 4.480 -0.000 0.000 0.280 322 M C -1.999 174.280 176.300 -0.034 0.000 1.090 322 M CA -0.672 54.591 55.300 -0.062 0.000 0.838 322 M CB 1.250 33.766 32.600 -0.141 0.000 1.729 322 M HN 0.548 nan 8.290 nan 0.000 0.530 323 L N 1.282 122.443 121.223 -0.103 0.000 2.343 323 L HA 1.030 5.370 4.340 -0.000 0.000 0.275 323 L C -0.394 176.351 176.870 -0.208 0.000 1.056 323 L CA 0.077 54.827 54.840 -0.150 0.000 0.804 323 L CB 1.692 43.582 42.059 -0.282 0.000 1.203 323 L HN 1.014 nan 8.230 nan 0.000 0.440 324 G N 0.599 109.333 108.800 -0.110 0.000 2.596 324 G HA2 0.377 4.337 3.960 -0.000 0.000 0.300 324 G HA3 0.377 4.337 3.960 -0.000 0.000 0.300 324 G C 0.010 174.915 174.900 0.008 0.000 1.370 324 G CA 0.340 45.413 45.100 -0.044 0.000 1.170 324 G HN 1.165 nan 8.290 nan 0.000 0.594 325 T N -1.141 113.416 114.554 0.005 0.000 8.089 325 T HA -0.178 4.172 4.350 -0.000 0.000 0.315 325 T C 2.596 177.280 174.700 -0.027 0.000 2.025 325 T CA 2.144 64.247 62.100 0.005 0.000 3.021 325 T CB -1.528 67.376 68.868 0.059 0.000 2.356 325 T HN 2.855 nan 8.240 nan 0.000 1.220 326 G N 0.978 109.762 108.800 -0.027 0.000 2.393 326 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.304 326 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.304 326 G C 0.622 175.588 174.900 0.109 0.000 0.977 326 G CA 0.479 45.611 45.100 0.053 0.000 0.803 326 G HN 2.093 nan 8.290 nan 0.000 0.511 327 G N -0.511 108.343 108.800 0.090 0.000 2.530 327 G HA2 0.543 4.503 3.960 -0.000 0.000 0.313 327 G HA3 0.543 4.503 3.960 -0.000 0.000 0.313 327 G C 0.121 175.123 174.900 0.170 0.000 0.971 327 G CA -0.106 45.072 45.100 0.129 0.000 1.237 327 G HN 0.596 nan 8.290 nan 0.000 0.446 328 V N 3.661 123.685 119.914 0.184 0.000 2.743 328 V HA 0.505 4.625 4.120 -0.000 0.000 0.301 328 V C 0.347 176.542 176.094 0.168 0.000 1.057 328 V CA -0.387 62.026 62.300 0.189 0.000 1.006 328 V CB 1.543 33.485 31.823 0.198 0.000 1.024 328 V HN 0.556 nan 8.190 nan 0.000 0.473 329 I N 4.082 124.729 120.570 0.130 0.000 2.569 329 I HA 0.412 4.582 4.170 -0.000 0.000 0.290 329 I C -0.986 175.153 176.117 0.037 0.000 1.088 329 I CA -0.448 60.897 61.300 0.075 0.000 1.047 329 I CB 2.118 40.146 38.000 0.046 0.000 1.237 329 I HN 0.331 nan 8.210 nan 0.000 0.421 330 L N 6.629 127.846 121.223 -0.009 0.000 2.282 330 L HA 0.585 4.925 4.340 -0.000 0.000 0.288 330 L C -0.566 176.245 176.870 -0.100 0.000 1.033 330 L CA -0.534 54.258 54.840 -0.079 0.000 0.807 330 L CB 1.450 43.425 42.059 -0.140 0.000 1.209 330 L HN 0.414 nan 8.230 nan 0.000 0.423 331 I N 5.140 125.641 120.570 -0.115 0.000 2.378 331 I HA 0.366 4.536 4.170 -0.000 0.000 0.291 331 I C -2.157 173.882 176.117 -0.130 0.000 0.992 331 I CA -2.075 59.160 61.300 -0.107 0.000 1.154 331 I CB 2.131 40.074 38.000 -0.094 0.000 1.315 331 I HN 0.350 nan 8.210 nan 0.000 0.448 332 P HA 0.130 nan 4.420 nan 0.000 0.275 332 P C -0.054 177.214 177.300 -0.052 0.000 1.227 332 P CA -0.159 62.887 63.100 -0.090 0.000 0.781 332 P CB 1.072 32.730 31.700 -0.070 0.000 0.906 333 E N 1.559 121.744 120.200 -0.025 0.000 2.333 333 E HA -0.167 4.183 4.350 -0.000 0.000 0.198 333 E C 1.857 178.460 176.600 0.006 0.000 1.007 333 E CA 0.707 57.116 56.400 0.014 0.000 0.845 333 E CB -0.081 29.644 29.700 0.042 0.000 0.766 333 E HN 0.439 nan 8.360 nan 0.000 0.507 334 R N 0.448 120.943 120.500 -0.008 0.000 2.235 334 R HA -0.011 4.328 4.340 -0.000 0.000 0.213 334 R C 0.058 176.350 176.300 -0.013 0.000 1.059 334 R CA 0.363 56.460 56.100 -0.006 0.000 0.997 334 R CB 0.411 30.706 30.300 -0.008 0.000 0.884 334 R HN -0.083 nan 8.270 nan 0.000 0.462 335 V N -0.341 119.556 119.914 -0.028 0.000 2.715 335 V HA 0.176 4.296 4.120 -0.000 0.000 0.310 335 V C -0.242 175.825 176.094 -0.045 0.000 1.054 335 V CA -0.844 61.433 62.300 -0.038 0.000 0.928 335 V CB 1.831 33.621 31.823 -0.055 0.000 1.007 335 V HN -0.009 nan 8.190 nan 0.000 0.437 336 S N 3.646 119.322 115.700 -0.040 0.000 2.523 336 S HA 0.228 4.698 4.470 -0.000 0.000 0.275 336 S C 1.250 175.791 174.600 -0.099 0.000 1.281 336 S CA -0.573 57.594 58.200 -0.054 0.000 1.050 336 S CB 0.578 63.757 63.200 -0.035 0.000 0.937 336 S HN 0.650 nan 8.310 nan 0.000 0.492 337 M N 4.534 124.035 119.600 -0.165 0.000 2.195 337 M HA -0.098 4.382 4.480 -0.000 0.000 0.260 337 M C 1.892 178.102 176.300 -0.149 0.000 1.066 337 M CA 1.366 56.521 55.300 -0.241 0.000 1.089 337 M CB -1.208 31.105 32.600 -0.478 0.000 1.377 337 M HN 0.660 nan 8.290 nan 0.000 0.411 338 V N 0.126 119.898 119.914 -0.236 0.000 2.295 338 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 338 V C 2.058 178.198 176.094 0.076 0.000 1.049 338 V CA 2.180 64.318 62.300 -0.269 0.000 1.024 338 V CB -0.791 30.781 31.823 -0.419 0.000 0.648 338 V HN 0.349 nan 8.190 nan 0.000 0.447 339 D N 0.045 120.488 120.400 0.073 0.000 2.182 339 D HA -0.149 4.491 4.640 -0.000 0.000 0.201 339 D C 2.066 178.386 176.300 0.033 0.000 0.986 339 D CA 1.515 55.589 54.000 0.124 0.000 0.847 339 D CB -0.084 40.732 40.800 0.027 0.000 0.942 339 D HN 0.397 nan 8.370 nan 0.000 0.467 340 A N 0.051 122.861 122.820 -0.017 0.000 1.855 340 A HA -0.127 4.193 4.320 -0.000 0.000 0.215 340 A C 2.105 179.671 177.584 -0.030 0.000 1.191 340 A CA 1.687 53.695 52.037 -0.049 0.000 0.613 340 A CB -0.431 18.525 19.000 -0.074 0.000 0.829 340 A HN 0.183 nan 8.150 nan 0.000 0.442 341 M N -1.888 117.715 119.600 0.005 0.000 2.175 341 M HA -0.089 4.391 4.480 -0.000 0.000 0.264 341 M C 1.987 178.054 176.300 -0.387 0.000 1.063 341 M CA 0.338 55.596 55.300 -0.071 0.000 1.119 341 M CB -1.824 30.880 32.600 0.173 0.000 1.377 341 M HN 0.763 nan 8.290 nan 0.000 0.415 342 W N 2.033 122.999 121.300 -0.556 0.000 2.290 342 W HA -0.347 4.313 4.660 -0.000 0.000 0.311 342 W C 2.322 178.628 176.519 -0.356 0.000 1.238 342 W CA 1.454 58.489 57.345 -0.517 0.000 1.255 342 W CB -0.174 29.227 29.460 -0.098 0.000 1.145 342 W HN 0.332 nan 8.180 nan 0.000 0.506 343 N N 0.481 119.176 118.700 -0.008 0.000 2.081 343 N HA -0.188 4.552 4.740 -0.000 0.000 0.191 343 N C 1.942 177.435 175.510 -0.028 0.000 1.053 343 N CA 2.003 54.986 53.050 -0.112 0.000 0.846 343 N CB -0.919 37.463 38.487 -0.175 0.000 1.032 343 N HN 0.221 nan 8.380 nan 0.000 0.431 344 L N 0.888 122.098 121.223 -0.022 0.000 2.010 344 L HA -0.285 4.055 4.340 -0.000 0.000 0.219 344 L C 2.671 179.715 176.870 0.289 0.000 1.077 344 L CA 2.346 57.242 54.840 0.092 0.000 0.773 344 L CB -1.448 40.709 42.059 0.164 0.000 0.892 344 L HN 0.433 nan 8.230 nan 0.000 0.436 345 T N -1.682 112.970 114.554 0.163 0.000 2.652 345 T HA -0.322 4.028 4.350 -0.000 0.000 0.267 345 T C 1.849 176.686 174.700 0.228 0.000 1.039 345 T CA 1.522 63.748 62.100 0.210 0.000 1.153 345 T CB -0.662 68.183 68.868 -0.037 0.000 0.863 345 T HN 0.380 nan 8.240 nan 0.000 0.428 346 R N 0.391 121.003 120.500 0.186 0.000 2.154 346 R HA -0.171 4.169 4.340 -0.000 0.000 0.248 346 R C 2.168 178.557 176.300 0.147 0.000 1.155 346 R CA 1.803 58.030 56.100 0.212 0.000 0.979 346 R CB -0.819 29.593 30.300 0.185 0.000 0.869 346 R HN 0.505 nan 8.270 nan 0.000 0.452 347 F N 0.627 120.536 119.950 -0.069 0.000 2.039 347 F HA -0.135 4.392 4.527 -0.000 0.000 0.294 347 F C 1.578 177.271 175.800 -0.178 0.000 1.130 347 F CA 1.323 59.189 58.000 -0.224 0.000 1.189 347 F CB -0.812 37.923 39.000 -0.441 0.000 0.983 347 F HN -0.071 nan 8.300 nan 0.000 0.471 348 Y N 1.002 121.237 120.300 -0.109 0.000 2.193 348 Y HA -0.236 4.314 4.550 -0.000 0.000 0.285 348 Y C 2.685 178.508 175.900 -0.127 0.000 1.166 348 Y CA 1.444 59.415 58.100 -0.215 0.000 1.181 348 Y CB -1.511 36.964 38.460 0.025 0.000 0.976 348 Y HN 0.264 nan 8.280 nan 0.000 0.520 349 A N -0.210 122.685 122.820 0.124 0.000 1.849 349 A HA -0.308 4.011 4.320 -0.000 0.000 0.217 349 A C 2.239 179.853 177.584 0.050 0.000 1.202 349 A CA 2.113 54.214 52.037 0.107 0.000 0.629 349 A CB -1.320 17.769 19.000 0.149 0.000 0.834 349 A HN 0.608 nan 8.150 nan 0.000 0.447 350 H N -0.194 118.829 119.070 -0.079 0.000 2.457 350 H HA -0.060 4.496 4.556 -0.000 0.000 0.297 350 H C 1.161 176.389 175.328 -0.167 0.000 1.092 350 H CA 1.719 57.704 56.048 -0.104 0.000 1.309 350 H CB -0.035 29.666 29.762 -0.102 0.000 1.382 350 H HN 0.399 nan 8.280 nan 0.000 0.535 351 E N 0.878 121.041 120.200 -0.061 0.000 2.489 351 E HA -0.008 4.342 4.350 -0.000 0.000 0.193 351 E C 0.845 177.429 176.600 -0.027 0.000 1.057 351 E CA -0.040 56.289 56.400 -0.117 0.000 0.866 351 E CB -0.006 29.350 29.700 -0.574 0.000 0.916 351 E HN 0.259 nan 8.360 nan 0.000 0.500 352 S N -0.377 115.312 115.700 -0.018 0.000 2.598 352 S HA 0.005 4.475 4.470 -0.000 0.000 0.256 352 S C 1.550 176.148 174.600 -0.003 0.000 1.350 352 S CA 0.203 58.413 58.200 0.016 0.000 0.984 352 S CB 0.784 63.994 63.200 0.016 0.000 0.930 352 S HN 0.417 nan 8.310 nan 0.000 0.577 353 C N 0.045 119.350 119.300 0.008 0.000 2.341 353 C HA 0.729 5.189 4.460 -0.000 0.000 0.372 353 C C 1.438 176.419 174.990 -0.014 0.000 1.430 353 C CA 0.570 59.586 59.018 -0.004 0.000 2.316 353 C CB -0.527 27.218 27.740 0.008 0.000 2.416 353 C HN 1.561 nan 8.230 nan 0.000 0.583 354 G N 1.017 109.813 108.800 -0.007 0.000 2.330 354 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.125 354 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.125 354 G C 0.206 175.087 174.900 -0.032 0.000 1.060 354 G CA 0.300 45.388 45.100 -0.020 0.000 0.743 354 G HN 0.567 nan 8.290 nan 0.000 0.480 355 K N -1.075 119.307 120.400 -0.030 0.000 2.380 355 K HA 0.215 4.535 4.320 -0.000 0.000 0.200 355 K C 0.843 177.391 176.600 -0.086 0.000 1.201 355 K CA 0.595 56.834 56.287 -0.080 0.000 0.916 355 K CB 0.460 32.899 32.500 -0.101 0.000 1.187 355 K HN 0.399 nan 8.250 nan 0.000 0.498 356 C N 2.217 121.498 119.300 -0.031 0.000 2.482 356 C HA 0.150 4.610 4.460 -0.000 0.000 0.378 356 C C 1.833 176.815 174.990 -0.015 0.000 1.284 356 C CA -0.527 58.481 59.018 -0.017 0.000 1.826 356 C CB 0.683 28.440 27.740 0.028 0.000 2.473 356 C HN 0.496 nan 8.230 nan 0.000 0.562 357 T N 4.635 119.175 114.554 -0.022 0.000 2.720 357 T HA -0.125 4.225 4.350 -0.000 0.000 0.268 357 T C -0.412 174.292 174.700 0.006 0.000 1.037 357 T CA 1.849 63.941 62.100 -0.013 0.000 1.144 357 T CB -1.035 67.823 68.868 -0.016 0.000 0.864 357 T HN 0.669 nan 8.240 nan 0.000 0.444 358 P HA -0.120 nan 4.420 nan 0.000 0.205 358 P C 2.008 179.322 177.300 0.023 0.000 1.193 358 P CA 1.090 64.200 63.100 0.017 0.000 0.929 358 P CB -0.752 30.951 31.700 0.005 0.000 0.772 359 C N 0.628 119.937 119.300 0.015 0.000 2.396 359 C HA -0.165 4.295 4.460 -0.000 0.000 0.277 359 C C 2.994 178.003 174.990 0.032 0.000 1.231 359 C CA 1.412 60.443 59.018 0.021 0.000 1.775 359 C CB -1.882 25.870 27.740 0.019 0.000 2.036 359 C HN 0.194 nan 8.230 nan 0.000 0.484 360 R N 0.232 120.745 120.500 0.023 0.000 2.070 360 R HA -0.078 4.262 4.340 -0.000 0.000 0.227 360 R C 2.503 178.820 176.300 0.029 0.000 1.147 360 R CA 1.964 58.074 56.100 0.017 0.000 0.924 360 R CB -0.372 29.928 30.300 0.000 0.000 0.827 360 R HN 0.608 nan 8.270 nan 0.000 0.431 361 E N -0.510 119.708 120.200 0.030 0.000 2.033 361 E HA -0.052 4.298 4.350 -0.000 0.000 0.189 361 E C 2.018 178.676 176.600 0.097 0.000 0.979 361 E CA 1.121 57.546 56.400 0.042 0.000 0.802 361 E CB -0.584 29.128 29.700 0.021 0.000 0.763 361 E HN 0.577 nan 8.360 nan 0.000 0.449 362 G N 2.017 110.878 108.800 0.102 0.000 2.514 362 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.217 362 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.217 362 G C 1.806 176.790 174.900 0.141 0.000 1.198 362 G CA 2.237 47.425 45.100 0.146 0.000 0.780 362 G HN 0.300 nan 8.290 nan 0.000 0.565 363 V N -1.695 118.273 119.914 0.090 0.000 2.599 363 V HA 0.494 4.614 4.120 -0.000 0.000 0.245 363 V C 2.696 178.863 176.094 0.121 0.000 1.046 363 V CA 1.709 64.066 62.300 0.094 0.000 1.065 363 V CB -0.254 31.605 31.823 0.058 0.000 0.703 363 V HN 0.422 nan 8.190 nan 0.000 0.464 364 A N 0.232 123.112 122.820 0.100 0.000 2.132 364 A HA 0.469 4.789 4.320 -0.000 0.000 0.213 364 A C 2.089 179.733 177.584 0.100 0.000 1.154 364 A CA 1.180 53.273 52.037 0.095 0.000 0.753 364 A CB -0.601 18.432 19.000 0.055 0.000 0.826 364 A HN 0.698 nan 8.150 nan 0.000 0.469 365 G N -1.477 107.390 108.800 0.112 0.000 2.789 365 G HA2 0.239 4.199 3.960 -0.000 0.000 0.207 365 G HA3 0.239 4.199 3.960 -0.000 0.000 0.207 365 G C 1.213 176.212 174.900 0.164 0.000 1.153 365 G CA 0.500 45.659 45.100 0.099 0.000 0.847 365 G HN 0.226 nan 8.290 nan 0.000 0.615 366 F N 1.232 121.195 119.950 0.022 0.000 2.012 366 F HA 0.260 4.787 4.527 -0.000 0.000 0.289 366 F C 2.733 178.551 175.800 0.030 0.000 1.207 366 F CA 1.072 59.081 58.000 0.015 0.000 1.144 366 F CB -0.960 38.043 39.000 0.005 0.000 0.992 366 F HN 0.067 nan 8.300 nan 0.000 0.485 367 M N 0.073 119.808 119.600 0.225 0.000 3.092 367 M HA -0.368 4.112 4.480 -0.000 0.000 0.270 367 M C 2.331 178.759 176.300 0.214 0.000 1.042 367 M CA 3.090 58.447 55.300 0.095 0.000 1.052 367 M CB -1.005 31.661 32.600 0.111 0.000 1.250 367 M HN 0.236 nan 8.290 nan 0.000 0.529 368 V N 1.015 121.069 119.914 0.234 0.000 2.363 368 V HA -0.353 3.767 4.120 -0.000 0.000 0.254 368 V C 1.896 178.063 176.094 0.122 0.000 1.074 368 V CA 2.614 65.051 62.300 0.228 0.000 1.069 368 V CB -0.761 31.189 31.823 0.212 0.000 0.659 368 V HN 0.572 nan 8.190 nan 0.000 0.455 369 N N -0.281 118.494 118.700 0.126 0.000 2.216 369 N HA -0.056 4.684 4.740 -0.000 0.000 0.183 369 N C 1.768 177.265 175.510 -0.021 0.000 1.017 369 N CA 1.544 54.626 53.050 0.054 0.000 0.861 369 N CB -0.278 38.271 38.487 0.104 0.000 0.986 369 N HN 0.374 nan 8.380 nan 0.000 0.428 370 L N 0.612 121.844 121.223 0.016 0.000 1.956 370 L HA -0.195 4.145 4.340 -0.000 0.000 0.216 370 L C 2.193 178.925 176.870 -0.229 0.000 1.073 370 L CA 1.628 56.405 54.840 -0.106 0.000 0.762 370 L CB -1.672 40.264 42.059 -0.205 0.000 0.889 370 L HN 0.060 nan 8.230 nan 0.000 0.433 371 F N 0.289 120.057 119.950 -0.304 0.000 2.085 371 F HA -0.324 4.203 4.527 -0.000 0.000 0.299 371 F C 2.632 177.842 175.800 -0.983 0.000 1.096 371 F CA 1.838 59.504 58.000 -0.557 0.000 1.227 371 F CB -0.923 37.721 39.000 -0.593 0.000 0.983 371 F HN 0.146 nan 8.300 nan 0.000 0.482 372 A N -0.532 121.752 122.820 -0.893 0.000 1.892 372 A HA -0.295 4.025 4.320 -0.000 0.000 0.218 372 A C 2.230 179.631 177.584 -0.305 0.000 1.188 372 A CA 2.215 53.777 52.037 -0.792 0.000 0.631 372 A CB -0.857 17.945 19.000 -0.330 0.000 0.822 372 A HN 0.400 nan 8.150 nan 0.000 0.447 373 K N -0.569 119.712 120.400 -0.198 0.000 1.964 373 K HA -0.106 4.214 4.320 -0.000 0.000 0.218 373 K C 2.013 178.550 176.600 -0.106 0.000 1.043 373 K CA 1.537 57.766 56.287 -0.097 0.000 0.966 373 K CB -0.461 32.001 32.500 -0.063 0.000 0.739 373 K HN 0.422 nan 8.250 nan 0.000 0.443 374 I N 0.681 121.170 120.570 -0.135 0.000 2.290 374 I HA -0.225 3.945 4.170 -0.000 0.000 0.253 374 I C 1.540 177.601 176.117 -0.093 0.000 1.112 374 I CA 2.089 63.322 61.300 -0.111 0.000 1.377 374 I CB -0.358 37.557 38.000 -0.141 0.000 1.060 374 I HN 0.435 nan 8.210 nan 0.000 0.428 375 G N -0.906 107.806 108.800 -0.147 0.000 3.181 375 G HA2 0.023 3.983 3.960 -0.000 0.000 0.219 375 G HA3 0.023 3.983 3.960 -0.000 0.000 0.219 375 G C 0.839 175.796 174.900 0.095 0.000 1.182 375 G CA 0.608 45.691 45.100 -0.029 0.000 0.791 375 G HN 0.428 nan 8.290 nan 0.000 0.537 376 T N -0.282 114.301 114.554 0.047 0.000 3.145 376 T HA 0.376 4.726 4.350 -0.000 0.000 0.281 376 T C 1.628 176.356 174.700 0.046 0.000 1.003 376 T CA 0.348 62.498 62.100 0.083 0.000 0.901 376 T CB 0.589 69.510 68.868 0.088 0.000 1.112 376 T HN 0.708 nan 8.240 nan 0.000 0.535 377 G N 2.177 110.993 108.800 0.026 0.000 2.168 377 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.257 377 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.257 377 G C 0.833 175.741 174.900 0.013 0.000 0.997 377 G CA 0.250 45.361 45.100 0.019 0.000 0.708 377 G HN 0.449 nan 8.290 nan 0.000 0.520 378 Q N -0.310 119.494 119.800 0.008 0.000 2.356 378 Q HA 0.221 4.561 4.340 -0.000 0.000 0.205 378 Q C 1.642 177.639 176.000 -0.006 0.000 0.901 378 Q CA 0.737 56.543 55.803 0.005 0.000 0.938 378 Q CB 0.677 29.420 28.738 0.008 0.000 1.081 378 Q HN 0.637 nan 8.270 nan 0.000 0.517 379 G N 0.748 109.539 108.800 -0.015 0.000 2.537 379 G HA2 0.378 4.338 3.960 -0.000 0.000 0.273 379 G HA3 0.378 4.338 3.960 -0.000 0.000 0.273 379 G C -0.529 174.364 174.900 -0.012 0.000 1.189 379 G CA -0.240 44.846 45.100 -0.023 0.000 0.881 379 G HN 0.032 nan 8.290 nan 0.000 0.535 380 E N -0.598 119.594 120.200 -0.014 0.000 2.343 380 E HA 0.161 4.510 4.350 -0.000 0.000 0.270 380 E C 0.441 177.034 176.600 -0.011 0.000 0.895 380 E CA -0.728 55.667 56.400 -0.007 0.000 0.767 380 E CB 2.754 32.451 29.700 -0.005 0.000 1.248 380 E HN 0.657 nan 8.360 nan 0.000 0.440 381 E N 2.056 122.253 120.200 -0.006 0.000 2.136 381 E HA -0.345 4.005 4.350 -0.000 0.000 0.208 381 E C 1.075 177.663 176.600 -0.020 0.000 1.035 381 E CA 2.103 58.498 56.400 -0.008 0.000 0.838 381 E CB 0.132 29.830 29.700 -0.004 0.000 0.748 381 E HN 0.386 nan 8.360 nan 0.000 0.459 382 K N 0.348 120.738 120.400 -0.018 0.000 2.059 382 K HA -0.218 4.102 4.320 -0.000 0.000 0.212 382 K C 1.956 178.534 176.600 -0.036 0.000 1.050 382 K CA 1.740 58.014 56.287 -0.022 0.000 0.927 382 K CB -0.258 32.235 32.500 -0.011 0.000 0.714 382 K HN 0.302 nan 8.250 nan 0.000 0.447 383 D N 0.783 121.161 120.400 -0.037 0.000 2.103 383 D HA -0.178 4.462 4.640 -0.000 0.000 0.190 383 D C 2.139 178.378 176.300 -0.102 0.000 0.997 383 D CA 1.430 55.394 54.000 -0.061 0.000 0.833 383 D CB -0.559 40.205 40.800 -0.060 0.000 0.961 383 D HN -0.048 nan 8.370 nan 0.000 0.447 384 V N 1.701 121.561 119.914 -0.091 0.000 2.222 384 V HA -0.336 3.784 4.120 -0.000 0.000 0.252 384 V C 2.415 178.424 176.094 -0.141 0.000 1.060 384 V CA 2.242 64.469 62.300 -0.120 0.000 1.027 384 V CB -0.706 31.074 31.823 -0.072 0.000 0.644 384 V HN 0.251 nan 8.190 nan 0.000 0.448 385 E N -0.034 120.106 120.200 -0.100 0.000 2.113 385 E HA -0.308 4.041 4.350 -0.000 0.000 0.210 385 E C 2.113 178.643 176.600 -0.116 0.000 1.040 385 E CA 1.820 58.163 56.400 -0.094 0.000 0.847 385 E CB -0.356 29.307 29.700 -0.062 0.000 0.755 385 E HN 0.630 nan 8.360 nan 0.000 0.459 386 N N 0.713 119.340 118.700 -0.121 0.000 2.025 386 N HA -0.180 4.560 4.740 -0.000 0.000 0.194 386 N C 2.013 177.377 175.510 -0.244 0.000 1.044 386 N CA 0.989 53.944 53.050 -0.158 0.000 0.851 386 N CB -0.594 37.811 38.487 -0.137 0.000 1.036 386 N HN 0.093 nan 8.380 nan 0.000 0.422 387 L N 2.120 123.177 121.223 -0.277 0.000 2.021 387 L HA -0.240 4.100 4.340 -0.000 0.000 0.215 387 L C 2.303 179.027 176.870 -0.243 0.000 1.074 387 L CA 2.001 56.653 54.840 -0.314 0.000 0.760 387 L CB -1.014 40.834 42.059 -0.351 0.000 0.889 387 L HN 0.167 nan 8.230 nan 0.000 0.433 388 E N 0.144 120.216 120.200 -0.213 0.000 2.038 388 E HA -0.223 4.127 4.350 -0.000 0.000 0.195 388 E C 2.017 178.538 176.600 -0.133 0.000 1.000 388 E CA 1.952 58.251 56.400 -0.168 0.000 0.803 388 E CB -0.629 28.980 29.700 -0.152 0.000 0.750 388 E HN 0.561 nan 8.360 nan 0.000 0.448 389 A N 0.187 122.928 122.820 -0.131 0.000 2.067 389 A HA -0.015 4.305 4.320 -0.000 0.000 0.219 389 A C 2.275 179.790 177.584 -0.114 0.000 1.158 389 A CA 1.012 52.987 52.037 -0.104 0.000 0.661 389 A CB -0.539 18.408 19.000 -0.087 0.000 0.801 389 A HN 0.366 nan 8.150 nan 0.000 0.452 390 L N -0.497 120.624 121.223 -0.170 0.000 2.072 390 L HA -0.154 4.185 4.340 -0.000 0.000 0.205 390 L C 2.455 179.256 176.870 -0.116 0.000 1.079 390 L CA 0.835 55.566 54.840 -0.182 0.000 0.752 390 L CB -0.551 41.317 42.059 -0.319 0.000 0.906 390 L HN 0.410 nan 8.230 nan 0.000 0.436 391 L N 0.306 121.467 121.223 -0.104 0.000 1.963 391 L HA -0.209 4.131 4.340 -0.000 0.000 0.220 391 L C -0.134 176.701 176.870 -0.059 0.000 1.076 391 L CA 1.708 56.504 54.840 -0.074 0.000 0.772 391 L CB -2.646 39.381 42.059 -0.054 0.000 0.892 391 L HN 0.248 nan 8.230 nan 0.000 0.435 392 P HA -0.207 nan 4.420 nan 0.000 0.219 392 P C 1.744 179.028 177.300 -0.026 0.000 1.144 392 P CA 1.707 64.791 63.100 -0.027 0.000 0.806 392 P CB 0.001 31.687 31.700 -0.023 0.000 0.771 393 L N -1.658 119.544 121.223 -0.034 0.000 2.162 393 L HA -0.016 4.324 4.340 -0.000 0.000 0.205 393 L C 2.790 179.645 176.870 -0.026 0.000 1.086 393 L CA 0.937 55.763 54.840 -0.023 0.000 0.778 393 L CB -0.496 41.552 42.059 -0.017 0.000 0.928 393 L HN -0.134 nan 8.230 nan 0.000 0.446 394 I N -1.080 119.464 120.570 -0.043 0.000 2.270 394 I HA -0.161 4.008 4.170 -0.000 0.000 0.239 394 I C 2.620 178.683 176.117 -0.089 0.000 1.080 394 I CA 0.566 61.832 61.300 -0.057 0.000 1.383 394 I CB -0.451 37.508 38.000 -0.067 0.000 1.097 394 I HN 0.221 nan 8.210 nan 0.000 0.420 395 E N 1.804 121.933 120.200 -0.119 0.000 2.113 395 E HA -0.261 4.089 4.350 -0.000 0.000 0.210 395 E C 1.826 178.363 176.600 -0.104 0.000 1.040 395 E CA 2.096 58.394 56.400 -0.171 0.000 0.847 395 E CB -0.574 29.062 29.700 -0.106 0.000 0.755 395 E HN 0.500 nan 8.360 nan 0.000 0.459 396 G N 1.132 109.907 108.800 -0.041 0.000 2.950 396 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.190 396 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.190 396 G C 0.739 175.631 174.900 -0.014 0.000 1.458 396 G CA 0.798 45.893 45.100 -0.008 0.000 0.800 396 G HN 0.291 nan 8.290 nan 0.000 0.685 397 R N -0.632 119.865 120.500 -0.005 0.000 2.540 397 R HA 0.654 4.994 4.340 -0.000 0.000 0.287 397 R C -0.643 175.661 176.300 0.006 0.000 0.980 397 R CA -0.124 55.980 56.100 0.007 0.000 0.966 397 R CB 1.522 31.836 30.300 0.024 0.000 1.106 397 R HN 0.466 nan 8.270 nan 0.000 0.480 398 S N 1.797 117.513 115.700 0.027 0.000 2.757 398 S HA 0.318 4.788 4.470 -0.000 0.000 0.285 398 S C -0.590 174.095 174.600 0.141 0.000 1.196 398 S CA -0.607 57.625 58.200 0.052 0.000 0.856 398 S CB 0.287 63.488 63.200 0.002 0.000 1.212 398 S HN 0.478 nan 8.310 nan 0.000 0.516 399 F N 1.799 121.722 119.950 -0.045 0.000 2.274 399 F HA 0.308 4.835 4.527 -0.000 0.000 0.288 399 F C 1.083 176.857 175.800 -0.044 0.000 1.069 399 F CA 0.031 58.004 58.000 -0.045 0.000 1.343 399 F CB -0.109 38.863 39.000 -0.047 0.000 1.089 399 F HN 0.782 nan 8.300 nan 0.000 0.517 400 C N -0.646 118.626 119.300 -0.046 0.000 2.630 400 C HA 0.571 5.031 4.460 -0.000 0.000 0.346 400 C C -1.617 173.331 174.990 -0.069 0.000 1.245 400 C CA -1.754 57.183 59.018 -0.135 0.000 1.804 400 C CB 0.896 28.575 27.740 -0.101 0.000 2.279 400 C HN 0.161 nan 8.230 nan 0.000 0.498 401 P HA -0.016 nan 4.420 nan 0.000 0.239 401 P C 1.505 178.763 177.300 -0.070 0.000 1.184 401 P CA 0.585 63.658 63.100 -0.045 0.000 0.760 401 P CB -0.076 31.656 31.700 0.053 0.000 0.884 402 L N -0.530 120.687 121.223 -0.009 0.000 2.017 402 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 402 L C 2.237 179.055 176.870 -0.087 0.000 1.073 402 L CA 1.719 56.590 54.840 0.052 0.000 0.745 402 L CB -0.801 41.345 42.059 0.145 0.000 0.894 402 L HN -0.019 nan 8.230 nan 0.000 0.432 403 A N -0.006 122.749 122.820 -0.108 0.000 1.884 403 A HA -0.342 3.977 4.320 -0.000 0.000 0.219 403 A C 1.780 179.156 177.584 -0.348 0.000 1.197 403 A CA 2.439 54.377 52.037 -0.165 0.000 0.637 403 A CB -1.074 17.853 19.000 -0.123 0.000 0.827 403 A HN 0.555 nan 8.150 nan 0.000 0.450 404 D N -0.085 120.012 120.400 -0.506 0.000 2.103 404 D HA -0.111 4.529 4.640 -0.000 0.000 0.190 404 D C 2.225 177.891 176.300 -1.057 0.000 0.997 404 D CA 1.992 55.343 54.000 -1.082 0.000 0.833 404 D CB -0.498 39.455 40.800 -1.411 0.000 0.961 404 D HN 0.471 nan 8.370 nan 0.000 0.447 405 A N 0.567 123.040 122.820 -0.578 0.000 1.997 405 A HA -0.167 4.153 4.320 -0.000 0.000 0.221 405 A C 2.235 179.454 177.584 -0.608 0.000 1.172 405 A CA 2.510 54.404 52.037 -0.240 0.000 0.645 405 A CB -0.886 18.122 19.000 0.013 0.000 0.813 405 A HN 0.278 nan 8.150 nan 0.000 0.454 406 A N -0.549 121.846 122.820 -0.709 0.000 1.970 406 A HA 0.142 4.462 4.320 -0.000 0.000 0.216 406 A C 2.252 179.655 177.584 -0.302 0.000 1.170 406 A CA 1.803 53.417 52.037 -0.704 0.000 0.645 406 A CB -0.800 17.989 19.000 -0.351 0.000 0.816 406 A HN 1.127 nan 8.150 nan 0.000 0.447 407 V N -5.046 114.703 119.914 -0.276 0.000 2.599 407 V HA -0.042 4.078 4.120 -0.000 0.000 0.245 407 V C 2.123 178.227 176.094 0.015 0.000 1.046 407 V CA 0.590 62.810 62.300 -0.133 0.000 1.065 407 V CB -1.227 30.480 31.823 -0.193 0.000 0.703 407 V HN 0.585 nan 8.190 nan 0.000 0.464 408 W N 1.891 123.174 121.300 -0.029 0.000 2.302 408 W HA -0.054 4.606 4.660 -0.000 0.000 0.320 408 W C 0.344 176.886 176.519 0.039 0.000 1.241 408 W CA 2.415 59.763 57.345 0.006 0.000 1.264 408 W CB -2.594 26.872 29.460 0.011 0.000 1.154 408 W HN 0.382 nan 8.180 nan 0.000 0.483 409 P HA -0.138 nan 4.420 nan 0.000 0.218 409 P C 1.669 179.104 177.300 0.226 0.000 1.148 409 P CA 2.048 65.286 63.100 0.229 0.000 0.822 409 P CB -0.151 31.669 31.700 0.201 0.000 0.784 410 V N 1.046 121.086 119.914 0.210 0.000 2.273 410 V HA -0.147 3.972 4.120 -0.000 0.000 0.242 410 V C 2.866 179.049 176.094 0.149 0.000 1.035 410 V CA 1.624 64.067 62.300 0.239 0.000 1.013 410 V CB -1.410 30.570 31.823 0.262 0.000 0.652 410 V HN 0.050 nan 8.190 nan 0.000 0.452 411 K N 0.752 121.224 120.400 0.121 0.000 2.071 411 K HA -0.281 4.039 4.320 -0.000 0.000 0.217 411 K C 2.086 178.731 176.600 0.075 0.000 1.054 411 K CA 2.375 58.711 56.287 0.082 0.000 0.937 411 K CB -0.812 31.775 32.500 0.145 0.000 0.719 411 K HN 0.520 nan 8.250 nan 0.000 0.454 412 G N -0.048 108.836 108.800 0.139 0.000 2.422 412 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 412 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 412 G C 1.523 176.557 174.900 0.223 0.000 1.140 412 G CA 1.076 46.262 45.100 0.143 0.000 0.775 412 G HN 0.536 nan 8.290 nan 0.000 0.545 413 S N 0.577 116.438 115.700 0.268 0.000 2.370 413 S HA -0.099 4.371 4.470 -0.000 0.000 0.226 413 S C 2.256 177.096 174.600 0.400 0.000 1.033 413 S CA 1.274 59.711 58.200 0.396 0.000 1.011 413 S CB -0.360 63.074 63.200 0.390 0.000 0.852 413 S HN 0.073 nan 8.310 nan 0.000 0.457 414 L N 2.024 123.297 121.223 0.084 0.000 2.027 414 L HA 0.144 4.484 4.340 -0.000 0.000 0.206 414 L C 2.865 179.718 176.870 -0.028 0.000 1.074 414 L CA 1.690 56.472 54.840 -0.098 0.000 0.745 414 L CB -1.380 40.526 42.059 -0.255 0.000 0.898 414 L HN 0.380 nan 8.230 nan 0.000 0.433 415 R N -1.099 119.349 120.500 -0.086 0.000 2.134 415 R HA -0.231 4.109 4.340 -0.000 0.000 0.248 415 R C 2.075 178.177 176.300 -0.329 0.000 1.143 415 R CA 1.942 57.896 56.100 -0.243 0.000 0.957 415 R CB -0.193 29.881 30.300 -0.376 0.000 0.867 415 R HN 0.501 nan 8.270 nan 0.000 0.441 416 H N -2.365 116.689 119.070 -0.027 0.000 2.595 416 H HA 0.055 4.611 4.556 -0.000 0.000 0.265 416 H C 0.260 175.193 175.328 -0.659 0.000 0.953 416 H CA 0.671 56.502 56.048 -0.363 0.000 1.197 416 H CB 0.549 29.987 29.762 -0.540 0.000 1.438 416 H HN 0.216 nan 8.280 nan 0.000 0.531 417 F N -0.285 119.777 119.950 0.187 0.000 2.815 417 F HA 0.277 4.804 4.527 -0.000 0.000 0.323 417 F C 1.703 177.625 175.800 0.203 0.000 1.151 417 F CA -0.592 57.528 58.000 0.200 0.000 1.191 417 F CB 0.367 39.519 39.000 0.254 0.000 1.069 417 F HN -0.186 nan 8.300 nan 0.000 0.514 418 K N 1.231 121.755 120.400 0.207 0.000 2.144 418 K HA -0.240 4.079 4.320 -0.000 0.000 0.209 418 K C 1.356 178.067 176.600 0.186 0.000 1.047 418 K CA 2.368 58.721 56.287 0.110 0.000 0.927 418 K CB -0.060 32.440 32.500 -0.001 0.000 0.716 418 K HN 0.260 nan 8.250 nan 0.000 0.454 419 D N 0.251 120.748 120.400 0.163 0.000 2.127 419 D HA -0.275 4.365 4.640 -0.000 0.000 0.190 419 D C 1.969 178.380 176.300 0.185 0.000 1.000 419 D CA 1.567 55.652 54.000 0.142 0.000 0.839 419 D CB -0.378 40.494 40.800 0.121 0.000 0.955 419 D HN 0.421 nan 8.370 nan 0.000 0.446 420 Q N -0.593 119.362 119.800 0.259 0.000 2.077 420 Q HA -0.209 4.130 4.340 -0.000 0.000 0.206 420 Q C 2.285 178.391 176.000 0.177 0.000 0.989 420 Q CA 1.453 57.383 55.803 0.212 0.000 0.853 420 Q CB -0.141 28.736 28.738 0.232 0.000 0.907 420 Q HN 0.374 nan 8.270 nan 0.000 0.418 421 Y N 0.093 120.444 120.300 0.085 0.000 2.114 421 Y HA -0.252 4.298 4.550 -0.000 0.000 0.284 421 Y C 2.063 177.969 175.900 0.009 0.000 1.143 421 Y CA 1.292 59.411 58.100 0.032 0.000 1.135 421 Y CB -0.390 38.069 38.460 -0.002 0.000 0.980 421 Y HN 0.120 nan 8.280 nan 0.000 0.499 422 L N -0.850 120.490 121.223 0.195 0.000 2.042 422 L HA -0.314 4.026 4.340 -0.000 0.000 0.210 422 L C 2.666 179.579 176.870 0.072 0.000 1.076 422 L CA 1.170 56.068 54.840 0.098 0.000 0.749 422 L CB -0.888 41.214 42.059 0.072 0.000 0.893 422 L HN 0.276 nan 8.230 nan 0.000 0.432 423 A N 0.144 123.011 122.820 0.079 0.000 1.869 423 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 423 A C 2.058 179.666 177.584 0.040 0.000 1.203 423 A CA 2.111 54.182 52.037 0.057 0.000 0.638 423 A CB -0.951 18.086 19.000 0.063 0.000 0.831 423 A HN 0.308 nan 8.150 nan 0.000 0.450 424 L N -0.552 120.691 121.223 0.033 0.000 2.187 424 L HA -0.145 4.195 4.340 -0.000 0.000 0.213 424 L C 2.832 179.712 176.870 0.016 0.000 1.100 424 L CA 1.756 56.607 54.840 0.018 0.000 0.765 424 L CB -0.818 41.240 42.059 -0.001 0.000 0.904 424 L HN 0.451 nan 8.230 nan 0.000 0.437 425 A N -0.461 122.371 122.820 0.021 0.000 1.844 425 A HA -0.098 4.222 4.320 -0.000 0.000 0.212 425 A C 2.419 180.012 177.584 0.015 0.000 1.221 425 A CA 0.892 52.937 52.037 0.013 0.000 0.607 425 A CB -0.414 18.594 19.000 0.015 0.000 0.878 425 A HN 0.258 nan 8.150 nan 0.000 0.451 426 R N 0.093 120.605 120.500 0.020 0.000 2.139 426 R HA -0.154 4.186 4.340 -0.000 0.000 0.243 426 R C 1.470 177.780 176.300 0.017 0.000 1.145 426 R CA 1.722 57.833 56.100 0.017 0.000 0.976 426 R CB -0.237 30.075 30.300 0.021 0.000 0.866 426 R HN 0.656 nan 8.270 nan 0.000 0.449 427 E N 0.130 120.341 120.200 0.019 0.000 2.474 427 E HA 0.032 4.381 4.350 -0.000 0.000 0.195 427 E C -0.177 176.433 176.600 0.017 0.000 1.039 427 E CA -0.194 56.217 56.400 0.018 0.000 0.881 427 E CB 0.551 30.264 29.700 0.022 0.000 0.970 427 E HN 0.024 nan 8.360 nan 0.000 0.486 428 K N 0.932 121.341 120.400 0.015 0.000 3.016 428 K HA -0.208 4.112 4.320 -0.000 0.000 0.262 428 K C -0.478 176.133 176.600 0.018 0.000 1.043 428 K CA 0.792 57.087 56.287 0.014 0.000 0.761 428 K CB -1.578 30.930 32.500 0.013 0.000 1.230 428 K HN 0.254 nan 8.250 nan 0.000 0.485 429 R N 0.661 121.173 120.500 0.020 0.000 2.460 429 R HA 0.333 4.673 4.340 -0.000 0.000 0.303 429 R C -2.042 174.275 176.300 0.028 0.000 0.968 429 R CA -1.755 54.359 56.100 0.024 0.000 0.889 429 R CB 1.494 31.808 30.300 0.024 0.000 1.123 429 R HN -0.033 nan 8.270 nan 0.000 0.455 430 P HA 0.057 nan 4.420 nan 0.000 0.278 430 P C -0.193 177.139 177.300 0.054 0.000 1.266 430 P CA -0.477 62.655 63.100 0.055 0.000 0.807 430 P CB 0.784 32.521 31.700 0.062 0.000 1.094 431 V N -2.236 117.726 119.914 0.079 0.000 2.999 431 V HA 0.207 4.327 4.120 -0.000 0.000 0.307 431 V C -1.950 174.169 176.094 0.042 0.000 1.084 431 V CA -1.273 61.066 62.300 0.063 0.000 1.155 431 V CB -1.091 30.794 31.823 0.103 0.000 0.975 431 V HN 0.521 nan 8.190 nan 0.000 0.490 432 P HA 0.331 nan 4.420 nan 0.000 0.275 432 P C -0.840 176.462 177.300 0.003 0.000 1.228 432 P CA -0.437 62.672 63.100 0.014 0.000 0.786 432 P CB 0.725 32.431 31.700 0.012 0.000 0.927 433 R N 2.992 123.492 120.500 0.001 0.000 2.790 433 R HA 0.344 4.684 4.340 -0.000 0.000 0.274 433 R C -1.728 174.570 176.300 -0.004 0.000 1.334 433 R CA -1.390 54.705 56.100 -0.010 0.000 1.543 433 R CB -0.159 30.135 30.300 -0.011 0.000 1.154 433 R HN 0.549 nan 8.270 nan 0.000 0.601 434 P HA 0.144 nan 4.420 nan 0.000 0.277 434 P C -0.284 177.025 177.300 0.015 0.000 1.240 434 P CA -0.383 62.721 63.100 0.007 0.000 0.798 434 P CB 1.195 32.897 31.700 0.003 0.000 0.979 435 S N 1.142 116.862 115.700 0.033 0.000 2.414 435 S HA 0.136 4.606 4.470 -0.000 0.000 0.290 435 S C 0.846 175.494 174.600 0.080 0.000 1.160 435 S CA -0.525 57.715 58.200 0.066 0.000 1.069 435 S CB -0.737 62.507 63.200 0.072 0.000 1.012 435 S HN 0.321 nan 8.310 nan 0.000 0.510 436 L N 5.632 126.913 121.223 0.098 0.000 2.590 436 L HA 0.436 4.776 4.340 -0.000 0.000 0.227 436 L C 0.263 177.258 176.870 0.209 0.000 1.099 436 L CA -0.024 54.877 54.840 0.101 0.000 0.872 436 L CB 0.165 42.243 42.059 0.032 0.000 1.088 436 L HN 0.790 nan 8.230 nan 0.000 0.479 437 W N 0.218 121.499 121.300 -0.032 0.000 2.761 437 W HA 0.685 5.345 4.660 -0.000 0.000 0.340 437 W C -0.481 176.025 176.519 -0.023 0.000 1.072 437 W CA -1.540 55.787 57.345 -0.030 0.000 1.215 437 W CB 0.715 30.154 29.460 -0.034 0.000 1.420 437 W HN -0.199 nan 8.180 nan 0.000 0.519 438 R N 0.000 120.396 120.500 -0.173 0.000 2.786 438 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 438 R CA 0.000 55.905 56.100 -0.325 0.000 0.921 438 R CB 0.000 30.205 30.300 -0.159 0.000 0.687 438 R HN 0.000 nan 8.270 nan 0.000 0.535