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 3ejy_1_B DATA FIRST_RESID 19 DATA SEQUENCE RQLIRQLLER DKTPLAILFM AAVVGTLVGL AAVAFDKGVA WLQNQRMGAL DATA SEQUENCE VHTADNYPLL LTVAFLCSAV LAMFGYFLVR KYAPEAGGSG IPEIEGALED DATA SEQUENCE QRPVRWWRVL PVKFFGGLGT LGGGMVLGRE GPTVQIGGNI GRMVLDIFRL DATA SEQUENCE KGDEARHTLL ATGAAAGLAA AFNAPLAGIL FIIEHMRPQF RYTLISIKAV DATA SEQUENCE FIGVIMSTIM YRIFNHEVAL IDVGKLSDAP LNTLWLYLIL GIIFGIFGPI DATA SEQUENCE FNKWVLGMQD LLHRVHGGNI TKWVLMGGAI GGLCGLLGFV APATSGGGFN DATA SEQUENCE LIPIATAGNF SMGMLVFIFV ARVITTLLCF SSGAPGGIFA PMLALGTVLG DATA SEQUENCE TAFGMVAVEL FPQYHLEAGT FAIAGMGALL AASIRAPLTG IILVLEMTDN DATA SEQUENCE YQLILPMIIT GLGATLLAQF TGGKPLYSAI LARTLAKQEA 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 19 R HA 0.000 nan 4.340 nan 0.000 0.208 19 R C 0.000 176.299 176.300 -0.001 0.000 0.893 19 R CA 0.000 56.100 56.100 -0.000 0.000 0.921 19 R CB 0.000 30.299 30.300 -0.001 0.000 0.687 20 Q N 1.920 121.719 119.800 -0.001 0.000 2.423 20 Q HA -0.163 4.177 4.340 -0.000 0.000 0.332 20 Q C -0.115 175.883 176.000 -0.003 0.000 1.355 20 Q CA 0.998 56.800 55.803 -0.001 0.000 0.947 20 Q CB -2.022 26.716 28.738 0.001 0.000 1.189 20 Q HN 0.518 nan 8.270 nan 0.000 0.418 21 L N -3.261 117.960 121.223 -0.004 0.000 3.062 21 L HA 0.086 4.426 4.340 -0.000 0.000 0.264 21 L C 0.431 177.297 176.870 -0.007 0.000 1.242 21 L CA 0.667 55.503 54.840 -0.006 0.000 1.072 21 L CB -0.405 41.651 42.059 -0.007 0.000 1.420 21 L HN 0.311 nan 8.230 nan 0.000 0.412 22 I N -0.393 120.173 120.570 -0.006 0.000 4.640 22 I HA 0.273 4.443 4.170 -0.000 0.000 0.246 22 I C 1.196 177.309 176.117 -0.007 0.000 0.683 22 I CA -0.621 60.675 61.300 -0.006 0.000 2.740 22 I CB -0.618 37.379 38.000 -0.004 0.000 1.472 22 I HN 0.234 nan 8.210 nan 0.000 0.518 23 R N 0.791 121.289 120.500 -0.003 0.000 3.531 23 R HA -0.193 4.147 4.340 -0.000 0.000 0.280 23 R C -0.281 176.017 176.300 -0.003 0.000 1.130 23 R CA 0.234 56.333 56.100 -0.001 0.000 0.757 23 R CB -2.151 28.149 30.300 -0.000 0.000 1.218 23 R HN 0.521 nan 8.270 nan 0.000 0.454 24 Q N 0.805 120.602 119.800 -0.004 0.000 2.377 24 Q HA 0.408 4.748 4.340 -0.000 0.000 0.249 24 Q C 0.955 176.950 176.000 -0.007 0.000 1.005 24 Q CA -0.078 55.720 55.803 -0.008 0.000 0.912 24 Q CB 0.506 29.238 28.738 -0.010 0.000 1.223 24 Q HN 0.341 nan 8.270 nan 0.000 0.459 25 L N 0.484 121.701 121.223 -0.009 0.000 3.015 25 L HA -0.369 3.970 4.340 -0.000 0.000 0.389 25 L C -0.172 176.695 176.870 -0.006 0.000 0.737 25 L CA 0.698 55.532 54.840 -0.011 0.000 3.213 25 L CB -1.383 40.667 42.059 -0.013 0.000 0.600 25 L HN 0.453 nan 8.230 nan 0.000 0.774 26 L N 1.175 122.396 121.223 -0.004 0.000 2.453 26 L HA 0.146 4.485 4.340 -0.000 0.000 0.272 26 L C 1.154 178.026 176.870 0.003 0.000 1.182 26 L CA 1.482 56.321 54.840 -0.001 0.000 0.858 26 L CB 0.339 42.398 42.059 -0.001 0.000 1.120 26 L HN 0.200 nan 8.230 nan 0.000 0.474 27 E N -0.380 119.823 120.200 0.005 0.000 3.898 27 E HA -0.200 4.149 4.350 -0.000 0.000 0.328 27 E C 0.156 176.767 176.600 0.018 0.000 0.770 27 E CA 0.423 56.830 56.400 0.012 0.000 1.267 27 E CB -0.492 29.217 29.700 0.014 0.000 1.646 27 E HN 0.548 nan 8.360 nan 0.000 0.420 28 R N 0.593 121.100 120.500 0.011 0.000 2.349 28 R HA 0.202 4.541 4.340 -0.000 0.000 0.299 28 R C -0.179 176.125 176.300 0.007 0.000 1.027 28 R CA 0.330 56.438 56.100 0.014 0.000 0.958 28 R CB 0.686 30.987 30.300 0.002 0.000 1.047 28 R HN 0.077 nan 8.270 nan 0.000 0.468 29 D N 1.936 122.341 120.400 0.009 0.000 2.723 29 D HA -0.169 4.471 4.640 -0.000 0.000 0.236 29 D C -1.067 175.229 176.300 -0.008 0.000 1.138 29 D CA 1.174 55.169 54.000 -0.008 0.000 0.676 29 D CB -0.315 40.469 40.800 -0.027 0.000 1.069 29 D HN 0.477 nan 8.370 nan 0.000 0.430 30 K N 0.827 121.229 120.400 0.004 0.000 2.602 30 K HA 0.212 4.531 4.320 -0.000 0.000 0.201 30 K C -0.478 176.127 176.600 0.008 0.000 1.070 30 K CA -0.387 55.903 56.287 0.005 0.000 1.026 30 K CB 0.687 33.192 32.500 0.009 0.000 1.534 30 K HN 0.070 nan 8.250 nan 0.000 0.560 31 T N 2.994 117.551 114.554 0.004 0.000 2.814 31 T HA 0.156 4.506 4.350 -0.000 0.000 0.297 31 T C -2.308 172.399 174.700 0.012 0.000 0.956 31 T CA -1.296 60.808 62.100 0.007 0.000 1.123 31 T CB 0.606 69.475 68.868 0.002 0.000 0.902 31 T HN 0.154 nan 8.240 nan 0.000 0.528 32 P HA 0.049 nan 4.420 nan 0.000 0.260 32 P C 1.083 178.398 177.300 0.025 0.000 1.185 32 P CA -0.064 63.047 63.100 0.018 0.000 0.763 32 P CB 0.327 32.037 31.700 0.016 0.000 0.776 33 L N 3.876 125.116 121.223 0.029 0.000 2.103 33 L HA -0.350 3.989 4.340 -0.000 0.000 0.215 33 L C 2.064 178.973 176.870 0.064 0.000 1.080 33 L CA 2.200 57.068 54.840 0.046 0.000 0.764 33 L CB -0.480 41.603 42.059 0.040 0.000 0.890 33 L HN 0.450 nan 8.230 nan 0.000 0.435 34 A N -0.090 122.753 122.820 0.038 0.000 1.877 34 A HA -0.237 4.082 4.320 -0.000 0.000 0.216 34 A C 2.112 179.726 177.584 0.051 0.000 1.186 34 A CA 2.059 54.114 52.037 0.030 0.000 0.620 34 A CB -0.794 18.211 19.000 0.009 0.000 0.822 34 A HN 0.496 nan 8.150 nan 0.000 0.443 35 I N -0.281 120.310 120.570 0.035 0.000 2.163 35 I HA -0.296 3.873 4.170 -0.000 0.000 0.243 35 I C 2.399 178.539 176.117 0.038 0.000 1.085 35 I CA 1.314 62.629 61.300 0.025 0.000 1.347 35 I CB -0.343 37.667 38.000 0.016 0.000 1.044 35 I HN 0.310 nan 8.210 nan 0.000 0.408 36 L N -0.620 120.635 121.223 0.053 0.000 2.046 36 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 36 L C 2.535 179.440 176.870 0.058 0.000 1.077 36 L CA 1.491 56.360 54.840 0.048 0.000 0.747 36 L CB -0.641 41.446 42.059 0.047 0.000 0.896 36 L HN 0.195 nan 8.230 nan 0.000 0.432 37 F N -0.132 119.792 119.950 -0.043 0.000 2.146 37 F HA -0.251 4.275 4.527 -0.000 0.000 0.298 37 F C 2.561 178.300 175.800 -0.103 0.000 1.096 37 F CA 1.277 59.242 58.000 -0.058 0.000 1.275 37 F CB 0.060 39.029 39.000 -0.052 0.000 1.008 37 F HN -0.026 nan 8.300 nan 0.000 0.480 38 M N 0.320 120.021 119.600 0.168 0.000 2.213 38 M HA -0.121 4.359 4.480 -0.000 0.000 0.263 38 M C 2.501 178.759 176.300 -0.071 0.000 1.062 38 M CA 1.402 56.698 55.300 -0.007 0.000 1.105 38 M CB -1.939 30.612 32.600 -0.082 0.000 1.385 38 M HN 0.318 nan 8.290 nan 0.000 0.417 39 A N 0.477 123.269 122.820 -0.046 0.000 1.865 39 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 39 A C 2.473 180.004 177.584 -0.088 0.000 1.191 39 A CA 2.500 54.506 52.037 -0.053 0.000 0.623 39 A CB -1.121 17.866 19.000 -0.020 0.000 0.826 39 A HN 0.464 nan 8.150 nan 0.000 0.444 40 A N -0.141 122.597 122.820 -0.137 0.000 1.903 40 A HA -0.133 4.186 4.320 -0.000 0.000 0.219 40 A C 2.442 179.915 177.584 -0.186 0.000 1.191 40 A CA 3.030 54.951 52.037 -0.194 0.000 0.638 40 A CB -1.475 17.318 19.000 -0.345 0.000 0.823 40 A HN 1.327 nan 8.150 nan 0.000 0.451 41 V N -2.009 117.784 119.914 -0.201 0.000 2.358 41 V HA -0.159 3.961 4.120 -0.000 0.000 0.246 41 V C 2.172 178.200 176.094 -0.110 0.000 1.047 41 V CA 2.139 64.351 62.300 -0.146 0.000 1.035 41 V CB -1.329 30.420 31.823 -0.124 0.000 0.658 41 V HN 0.248 nan 8.190 nan 0.000 0.452 42 V N 2.138 121.984 119.914 -0.112 0.000 2.252 42 V HA -0.170 3.950 4.120 -0.000 0.000 0.249 42 V C 3.025 179.075 176.094 -0.073 0.000 1.056 42 V CA 2.590 64.834 62.300 -0.094 0.000 1.022 42 V CB -1.926 29.847 31.823 -0.083 0.000 0.641 42 V HN 0.653 nan 8.190 nan 0.000 0.445 43 G N -0.325 108.435 108.800 -0.067 0.000 2.446 43 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 43 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 43 G C 1.679 176.550 174.900 -0.048 0.000 1.168 43 G CA 1.634 46.703 45.100 -0.052 0.000 0.771 43 G HN 0.489 nan 8.290 nan 0.000 0.551 44 T N 1.489 116.010 114.554 -0.055 0.000 2.720 44 T HA -0.097 4.252 4.350 -0.000 0.000 0.268 44 T C 2.429 177.109 174.700 -0.033 0.000 1.037 44 T CA 1.216 63.293 62.100 -0.039 0.000 1.144 44 T CB -0.244 68.595 68.868 -0.048 0.000 0.864 44 T HN 0.160 nan 8.240 nan 0.000 0.444 45 L N 0.654 121.852 121.223 -0.042 0.000 1.976 45 L HA -0.087 4.252 4.340 -0.000 0.000 0.209 45 L C 2.740 179.588 176.870 -0.037 0.000 1.071 45 L CA 1.029 55.846 54.840 -0.037 0.000 0.746 45 L CB -0.834 41.197 42.059 -0.047 0.000 0.890 45 L HN 0.104 nan 8.230 nan 0.000 0.432 46 V N 0.263 120.148 119.914 -0.048 0.000 2.453 46 V HA -0.257 3.863 4.120 -0.000 0.000 0.252 46 V C 2.496 178.559 176.094 -0.053 0.000 1.068 46 V CA 1.885 64.151 62.300 -0.057 0.000 1.070 46 V CB -1.606 30.178 31.823 -0.064 0.000 0.664 46 V HN 0.606 nan 8.190 nan 0.000 0.461 47 G N 0.412 109.189 108.800 -0.037 0.000 2.666 47 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.215 47 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.215 47 G C 1.487 176.359 174.900 -0.047 0.000 1.294 47 G CA 1.218 46.308 45.100 -0.017 0.000 0.811 47 G HN 0.450 nan 8.290 nan 0.000 0.594 48 L N 1.090 122.268 121.223 -0.076 0.000 2.034 48 L HA -0.237 4.103 4.340 -0.000 0.000 0.217 48 L C 3.450 180.263 176.870 -0.096 0.000 1.077 48 L CA 1.539 56.287 54.840 -0.152 0.000 0.769 48 L CB -0.733 41.265 42.059 -0.102 0.000 0.890 48 L HN 0.339 nan 8.230 nan 0.000 0.435 49 A N 0.036 122.841 122.820 -0.025 0.000 1.873 49 A HA -0.252 4.067 4.320 -0.000 0.000 0.218 49 A C 2.568 180.137 177.584 -0.025 0.000 1.193 49 A CA 2.303 54.367 52.037 0.046 0.000 0.629 49 A CB -0.957 18.066 19.000 0.038 0.000 0.826 49 A HN 0.445 nan 8.150 nan 0.000 0.447 50 A N -0.704 122.075 122.820 -0.068 0.000 1.883 50 A HA -0.025 4.295 4.320 -0.000 0.000 0.217 50 A C 2.269 179.857 177.584 0.007 0.000 1.186 50 A CA 1.982 53.976 52.037 -0.072 0.000 0.624 50 A CB -1.124 17.833 19.000 -0.071 0.000 0.822 50 A HN 0.459 nan 8.150 nan 0.000 0.444 51 V N -0.031 119.866 119.914 -0.029 0.000 2.233 51 V HA -0.304 3.816 4.120 -0.000 0.000 0.247 51 V C 3.087 179.117 176.094 -0.108 0.000 1.050 51 V CA 2.224 64.469 62.300 -0.091 0.000 1.010 51 V CB -1.483 30.123 31.823 -0.361 0.000 0.637 51 V HN 0.647 nan 8.190 nan 0.000 0.444 52 A N -0.313 122.438 122.820 -0.115 0.000 1.873 52 A HA -0.299 4.021 4.320 -0.000 0.000 0.218 52 A C 2.139 179.695 177.584 -0.046 0.000 1.193 52 A CA 2.346 54.367 52.037 -0.027 0.000 0.629 52 A CB -0.903 18.164 19.000 0.110 0.000 0.826 52 A HN 0.548 nan 8.150 nan 0.000 0.447 53 F N 1.154 120.885 119.950 -0.365 0.000 2.087 53 F HA -0.289 4.237 4.527 -0.001 0.000 0.299 53 F C 1.960 177.585 175.800 -0.291 0.000 1.100 53 F CA 2.500 60.112 58.000 -0.648 0.000 1.226 53 F CB -0.328 38.184 39.000 -0.813 0.000 0.983 53 F HN 0.349 nan 8.300 nan 0.000 0.479 54 D N 0.171 120.512 120.400 -0.099 0.000 2.117 54 D HA -0.169 4.471 4.640 -0.000 0.000 0.197 54 D C 2.067 178.307 176.300 -0.099 0.000 0.987 54 D CA 1.300 55.259 54.000 -0.069 0.000 0.829 54 D CB -0.102 40.756 40.800 0.096 0.000 0.961 54 D HN 0.188 nan 8.370 nan 0.000 0.460 55 K N 0.216 120.579 120.400 -0.061 0.000 2.026 55 K HA -0.058 4.261 4.320 -0.000 0.000 0.208 55 K C 2.250 178.851 176.600 0.002 0.000 1.048 55 K CA 1.166 57.452 56.287 -0.002 0.000 0.929 55 K CB -1.117 31.392 32.500 0.014 0.000 0.713 55 K HN 0.254 nan 8.250 nan 0.000 0.439 56 G N 1.706 110.445 108.800 -0.101 0.000 2.514 56 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 56 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 56 G C 1.750 176.606 174.900 -0.074 0.000 1.198 56 G CA 1.515 46.550 45.100 -0.109 0.000 0.780 56 G HN 0.143 nan 8.290 nan 0.000 0.565 57 V N 1.708 121.453 119.914 -0.283 0.000 2.332 57 V HA -0.174 3.946 4.120 -0.000 0.000 0.248 57 V C 3.311 179.384 176.094 -0.035 0.000 1.055 57 V CA 2.148 64.317 62.300 -0.219 0.000 1.038 57 V CB -1.151 30.460 31.823 -0.353 0.000 0.651 57 V HN 0.536 nan 8.190 nan 0.000 0.450 58 A N -0.677 122.144 122.820 0.000 0.000 1.845 58 A HA -0.294 4.026 4.320 -0.000 0.000 0.215 58 A C 1.944 179.590 177.584 0.103 0.000 1.195 58 A CA 2.033 54.103 52.037 0.055 0.000 0.616 58 A CB -1.145 17.894 19.000 0.065 0.000 0.832 58 A HN 0.669 nan 8.150 nan 0.000 0.443 59 W N 0.489 121.765 121.300 -0.040 0.000 2.280 59 W HA -0.309 4.350 4.660 -0.001 0.000 0.332 59 W C 1.938 178.443 176.519 -0.023 0.000 1.300 59 W CA 2.611 59.942 57.345 -0.023 0.000 1.274 59 W CB -0.450 28.997 29.460 -0.022 0.000 1.141 59 W HN 0.304 nan 8.180 nan 0.000 0.474 60 L N -0.295 121.144 121.223 0.360 0.000 2.056 60 L HA -0.240 4.100 4.340 -0.000 0.000 0.207 60 L C 2.621 179.511 176.870 0.032 0.000 1.078 60 L CA 1.668 56.646 54.840 0.229 0.000 0.749 60 L CB -1.125 41.072 42.059 0.231 0.000 0.901 60 L HN 0.067 nan 8.230 nan 0.000 0.433 61 Q N -0.252 119.563 119.800 0.025 0.000 2.135 61 Q HA -0.254 4.085 4.340 -0.000 0.000 0.204 61 Q C 2.004 177.979 176.000 -0.042 0.000 0.981 61 Q CA 1.925 57.729 55.803 0.002 0.000 0.856 61 Q CB -0.184 28.564 28.738 0.017 0.000 0.902 61 Q HN 0.428 nan 8.270 nan 0.000 0.425 62 N N -0.202 118.445 118.700 -0.088 0.000 2.120 62 N HA -0.199 4.540 4.740 -0.000 0.000 0.188 62 N C 1.615 176.994 175.510 -0.219 0.000 1.024 62 N CA 1.333 54.293 53.050 -0.151 0.000 0.852 62 N CB 0.038 38.410 38.487 -0.192 0.000 1.003 62 N HN 0.109 nan 8.380 nan 0.000 0.424 63 Q N 0.685 120.291 119.800 -0.323 0.000 2.045 63 Q HA -0.137 4.203 4.340 -0.000 0.000 0.206 63 Q C 2.089 177.994 176.000 -0.158 0.000 0.991 63 Q CA 1.576 57.191 55.803 -0.314 0.000 0.851 63 Q CB -0.541 27.987 28.738 -0.350 0.000 0.911 63 Q HN 0.577 nan 8.270 nan 0.000 0.418 64 R N -0.504 119.938 120.500 -0.096 0.000 2.148 64 R HA -0.044 4.295 4.340 -0.000 0.000 0.227 64 R C 2.165 178.436 176.300 -0.047 0.000 1.103 64 R CA 1.072 57.144 56.100 -0.046 0.000 0.983 64 R CB -0.307 29.987 30.300 -0.010 0.000 0.874 64 R HN 0.150 nan 8.270 nan 0.000 0.451 65 M N 0.612 120.177 119.600 -0.059 0.000 2.123 65 M HA 0.044 4.523 4.480 -0.000 0.000 0.263 65 M C 2.099 178.344 176.300 -0.092 0.000 1.069 65 M CA 1.611 56.884 55.300 -0.045 0.000 1.133 65 M CB -0.790 31.787 32.600 -0.039 0.000 1.356 65 M HN 0.154 nan 8.290 nan 0.000 0.415 66 G N -0.930 107.783 108.800 -0.145 0.000 2.402 66 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.216 66 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.216 66 G C 1.538 176.237 174.900 -0.335 0.000 1.162 66 G CA 0.958 45.923 45.100 -0.225 0.000 0.777 66 G HN 0.641 nan 8.290 nan 0.000 0.539 67 A N 0.380 123.081 122.820 -0.199 0.000 2.019 67 A HA 0.152 4.471 4.320 -0.000 0.000 0.219 67 A C 2.284 179.810 177.584 -0.097 0.000 1.164 67 A CA 0.853 52.827 52.037 -0.105 0.000 0.644 67 A CB -0.298 18.698 19.000 -0.007 0.000 0.805 67 A HN 0.356 nan 8.150 nan 0.000 0.449 68 L N -0.445 120.717 121.223 -0.102 0.000 2.465 68 L HA -0.081 4.258 4.340 -0.000 0.000 0.224 68 L C 2.104 178.927 176.870 -0.079 0.000 1.145 68 L CA 0.472 55.262 54.840 -0.084 0.000 0.834 68 L CB -0.164 41.864 42.059 -0.052 0.000 0.944 68 L HN 0.281 nan 8.230 nan 0.000 0.451 69 V N -1.178 118.648 119.914 -0.147 0.000 2.535 69 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 69 V C 1.877 177.921 176.094 -0.084 0.000 1.045 69 V CA 1.199 63.419 62.300 -0.133 0.000 1.058 69 V CB -0.626 31.084 31.823 -0.188 0.000 0.689 69 V HN 0.499 nan 8.190 nan 0.000 0.461 70 H N -0.786 118.278 119.070 -0.010 0.000 2.568 70 H HA -0.040 4.516 4.556 -0.000 0.000 0.281 70 H C 1.333 176.654 175.328 -0.013 0.000 1.028 70 H CA 1.112 57.153 56.048 -0.011 0.000 1.199 70 H CB 0.211 29.964 29.762 -0.015 0.000 1.352 70 H HN 0.373 nan 8.280 nan 0.000 0.605 71 T N -0.960 113.634 114.554 0.066 0.000 3.884 71 T HA 0.404 4.754 4.350 -0.000 0.000 0.284 71 T C 1.032 175.734 174.700 0.002 0.000 0.961 71 T CA 0.143 62.258 62.100 0.026 0.000 1.071 71 T CB -0.284 68.584 68.868 -0.000 0.000 1.121 71 T HN 0.344 nan 8.240 nan 0.000 0.496 72 A N 0.731 123.567 122.820 0.026 0.000 2.218 72 A HA 0.175 4.494 4.320 -0.000 0.000 0.209 72 A C 1.884 179.514 177.584 0.077 0.000 1.168 72 A CA 0.974 53.040 52.037 0.048 0.000 0.804 72 A CB -0.039 18.993 19.000 0.054 0.000 0.834 72 A HN 0.704 nan 8.150 nan 0.000 0.482 73 D N -0.699 119.739 120.400 0.063 0.000 2.369 73 D HA -0.053 4.587 4.640 -0.000 0.000 0.231 73 D C 0.412 176.761 176.300 0.082 0.000 0.967 73 D CA 0.163 54.204 54.000 0.068 0.000 0.905 73 D CB -0.848 39.982 40.800 0.050 0.000 1.044 73 D HN 0.134 nan 8.370 nan 0.000 0.487 74 N N 0.443 119.179 118.700 0.061 0.000 2.402 74 N HA -0.042 4.698 4.740 -0.000 0.000 0.259 74 N C 0.211 175.764 175.510 0.071 0.000 1.167 74 N CA -0.223 52.862 53.050 0.060 0.000 0.949 74 N CB -0.090 38.410 38.487 0.023 0.000 1.212 74 N HN 0.100 nan 8.380 nan 0.000 0.493 75 Y N 6.531 126.826 120.300 -0.008 0.000 2.114 75 Y HA -0.004 4.546 4.550 -0.001 0.000 0.284 75 Y C -0.956 174.921 175.900 -0.038 0.000 1.143 75 Y CA 1.541 59.632 58.100 -0.015 0.000 1.135 75 Y CB -0.908 37.569 38.460 0.027 0.000 0.980 75 Y HN 0.491 nan 8.280 nan 0.000 0.499 76 P HA -0.140 nan 4.420 nan 0.000 0.220 76 P C 1.618 178.805 177.300 -0.188 0.000 1.148 76 P CA 1.150 64.130 63.100 -0.201 0.000 0.803 76 P CB -0.068 31.602 31.700 -0.049 0.000 0.782 77 L N -1.275 119.872 121.223 -0.126 0.000 2.313 77 L HA 0.019 4.359 4.340 -0.000 0.000 0.214 77 L C 2.026 178.810 176.870 -0.144 0.000 1.119 77 L CA 1.182 55.959 54.840 -0.105 0.000 0.809 77 L CB -1.140 40.886 42.059 -0.054 0.000 0.933 77 L HN -0.106 nan 8.230 nan 0.000 0.449 78 L N -1.415 119.678 121.223 -0.218 0.000 2.007 78 L HA -0.176 4.164 4.340 -0.000 0.000 0.205 78 L C 2.272 178.925 176.870 -0.363 0.000 1.073 78 L CA 1.299 55.958 54.840 -0.301 0.000 0.744 78 L CB -0.256 41.571 42.059 -0.386 0.000 0.898 78 L HN 0.174 nan 8.230 nan 0.000 0.435 79 L N -0.536 120.407 121.223 -0.468 0.000 2.189 79 L HA -0.244 4.095 4.340 -0.000 0.000 0.214 79 L C 2.357 179.144 176.870 -0.138 0.000 1.097 79 L CA 1.654 56.294 54.840 -0.334 0.000 0.764 79 L CB -1.173 40.668 42.059 -0.363 0.000 0.900 79 L HN 0.423 nan 8.230 nan 0.000 0.436 80 T N -0.642 113.825 114.554 -0.144 0.000 2.735 80 T HA -0.084 4.266 4.350 -0.000 0.000 0.256 80 T C 2.008 176.705 174.700 -0.005 0.000 1.042 80 T CA 0.974 63.026 62.100 -0.079 0.000 1.147 80 T CB -0.133 68.673 68.868 -0.103 0.000 0.865 80 T HN 0.056 nan 8.240 nan 0.000 0.421 81 V N 1.886 121.775 119.914 -0.043 0.000 2.594 81 V HA -0.138 3.982 4.120 -0.000 0.000 0.253 81 V C 2.742 178.839 176.094 0.004 0.000 1.069 81 V CA 1.509 63.801 62.300 -0.013 0.000 1.082 81 V CB -1.218 30.585 31.823 -0.033 0.000 0.680 81 V HN 0.502 nan 8.190 nan 0.000 0.469 82 A N -0.160 122.646 122.820 -0.024 0.000 1.840 82 A HA -0.167 4.153 4.320 -0.000 0.000 0.214 82 A C 2.095 179.729 177.584 0.083 0.000 1.198 82 A CA 1.751 53.791 52.037 0.004 0.000 0.608 82 A CB -0.753 18.220 19.000 -0.046 0.000 0.839 82 A HN 0.471 nan 8.150 nan 0.000 0.443 83 F N 0.849 120.779 119.950 -0.033 0.000 2.015 83 F HA -0.266 4.261 4.527 -0.000 0.000 0.297 83 F C 2.065 177.869 175.800 0.006 0.000 1.141 83 F CA 2.246 60.243 58.000 -0.005 0.000 1.192 83 F CB -0.308 38.681 39.000 -0.018 0.000 0.957 83 F HN 0.160 nan 8.300 nan 0.000 0.491 84 L N -0.627 120.889 121.223 0.489 0.000 2.129 84 L HA -0.313 4.026 4.340 -0.000 0.000 0.212 84 L C 2.727 179.690 176.870 0.156 0.000 1.087 84 L CA 1.157 56.191 54.840 0.325 0.000 0.757 84 L CB -1.134 41.031 42.059 0.175 0.000 0.896 84 L HN 0.441 nan 8.230 nan 0.000 0.434 85 C N -0.771 118.592 119.300 0.105 0.000 2.453 85 C HA -0.129 4.331 4.460 -0.000 0.000 0.277 85 C C 3.176 178.195 174.990 0.049 0.000 1.262 85 C CA 1.429 60.486 59.018 0.064 0.000 1.718 85 C CB -0.444 27.321 27.740 0.042 0.000 2.031 85 C HN 0.508 nan 8.230 nan 0.000 0.480 86 S N 0.260 115.971 115.700 0.019 0.000 2.414 86 S HA 0.021 4.490 4.470 -0.000 0.000 0.227 86 S C 2.058 176.651 174.600 -0.013 0.000 1.022 86 S CA 0.968 59.166 58.200 -0.004 0.000 0.958 86 S CB -0.327 62.845 63.200 -0.048 0.000 0.797 86 S HN 0.723 nan 8.310 nan 0.000 0.493 87 A N 1.420 124.207 122.820 -0.055 0.000 1.865 87 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 87 A C 2.305 179.936 177.584 0.079 0.000 1.191 87 A CA 1.671 53.692 52.037 -0.027 0.000 0.623 87 A CB -1.051 17.991 19.000 0.069 0.000 0.826 87 A HN 0.330 nan 8.150 nan 0.000 0.444 88 V N 0.094 120.070 119.914 0.103 0.000 2.332 88 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 88 V C 2.586 178.781 176.094 0.168 0.000 1.055 88 V CA 2.047 64.423 62.300 0.126 0.000 1.038 88 V CB -0.798 31.088 31.823 0.105 0.000 0.651 88 V HN 0.555 nan 8.190 nan 0.000 0.450 89 L N -0.195 121.112 121.223 0.140 0.000 2.056 89 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 89 L C 2.764 179.792 176.870 0.264 0.000 1.078 89 L CA 1.441 56.380 54.840 0.164 0.000 0.749 89 L CB -0.856 41.262 42.059 0.097 0.000 0.901 89 L HN 0.353 nan 8.230 nan 0.000 0.433 90 A N 0.258 123.216 122.820 0.230 0.000 1.859 90 A HA -0.299 4.021 4.320 -0.000 0.000 0.217 90 A C 2.317 180.170 177.584 0.447 0.000 1.198 90 A CA 2.240 54.477 52.037 0.334 0.000 0.629 90 A CB -0.667 18.468 19.000 0.224 0.000 0.830 90 A HN 0.337 nan 8.150 nan 0.000 0.446 91 M N -2.071 117.698 119.600 0.282 0.000 2.089 91 M HA -0.182 4.297 4.480 -0.000 0.000 0.257 91 M C 2.192 178.700 176.300 0.347 0.000 1.071 91 M CA 2.301 57.754 55.300 0.255 0.000 1.096 91 M CB -0.624 32.067 32.600 0.150 0.000 1.330 91 M HN 0.564 nan 8.290 nan 0.000 0.403 92 F N 0.879 120.953 119.950 0.207 0.000 2.091 92 F HA -0.191 4.336 4.527 -0.000 0.000 0.299 92 F C 2.153 178.123 175.800 0.283 0.000 1.103 92 F CA 1.966 60.104 58.000 0.229 0.000 1.228 92 F CB -0.612 38.494 39.000 0.176 0.000 0.984 92 F HN 0.086 nan 8.300 nan 0.000 0.477 93 G N -1.253 107.863 108.800 0.526 0.000 2.414 93 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.215 93 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.215 93 G C 1.369 176.351 174.900 0.138 0.000 1.188 93 G CA 0.850 46.153 45.100 0.339 0.000 0.783 93 G HN 0.450 nan 8.290 nan 0.000 0.537 94 Y N -0.186 120.176 120.300 0.104 0.000 2.193 94 Y HA -0.149 4.401 4.550 -0.000 0.000 0.285 94 Y C 2.368 178.213 175.900 -0.091 0.000 1.166 94 Y CA 1.669 59.766 58.100 -0.006 0.000 1.181 94 Y CB -0.474 38.028 38.460 0.069 0.000 0.976 94 Y HN 0.267 nan 8.280 nan 0.000 0.520 95 F N -0.405 119.555 119.950 0.017 0.000 2.060 95 F HA -0.205 4.321 4.527 -0.000 0.000 0.295 95 F C 2.106 177.828 175.800 -0.129 0.000 1.120 95 F CA 1.108 59.051 58.000 -0.095 0.000 1.205 95 F CB -0.526 38.418 39.000 -0.094 0.000 0.986 95 F HN -0.140 nan 8.300 nan 0.000 0.470 96 L N 0.343 121.415 121.223 -0.252 0.000 2.283 96 L HA -0.233 4.106 4.340 -0.000 0.000 0.217 96 L C 2.085 178.840 176.870 -0.191 0.000 1.104 96 L CA 1.181 55.870 54.840 -0.250 0.000 0.772 96 L CB -1.151 40.803 42.059 -0.176 0.000 0.899 96 L HN 0.216 nan 8.230 nan 0.000 0.439 97 V N -1.057 118.715 119.914 -0.238 0.000 2.326 97 V HA -0.090 4.030 4.120 -0.000 0.000 0.238 97 V C 2.488 178.368 176.094 -0.355 0.000 1.038 97 V CA 0.717 62.865 62.300 -0.253 0.000 1.032 97 V CB -0.380 31.281 31.823 -0.269 0.000 0.675 97 V HN 0.306 nan 8.190 nan 0.000 0.467 98 R N 0.550 120.773 120.500 -0.463 0.000 2.159 98 R HA -0.177 4.162 4.340 -0.000 0.000 0.237 98 R C 2.103 178.118 176.300 -0.476 0.000 1.131 98 R CA 1.338 57.134 56.100 -0.507 0.000 0.982 98 R CB -0.441 29.529 30.300 -0.549 0.000 0.868 98 R HN 0.361 nan 8.270 nan 0.000 0.453 99 K N -0.341 119.662 120.400 -0.662 0.000 2.078 99 K HA -0.014 4.306 4.320 -0.000 0.000 0.203 99 K C 1.449 177.579 176.600 -0.784 0.000 1.043 99 K CA 1.261 57.025 56.287 -0.872 0.000 0.960 99 K CB -0.002 31.564 32.500 -1.557 0.000 0.761 99 K HN 0.110 nan 8.250 nan 0.000 0.448 100 Y N -1.425 118.655 120.300 -0.367 0.000 2.498 100 Y HA 0.486 5.036 4.550 -0.000 0.000 0.259 100 Y C -0.150 175.636 175.900 -0.190 0.000 1.086 100 Y CA 0.001 57.959 58.100 -0.236 0.000 1.287 100 Y CB 1.117 39.451 38.460 -0.209 0.000 1.146 100 Y HN 0.030 nan 8.280 nan 0.000 0.523 101 A N -0.067 122.699 122.820 -0.090 0.000 2.686 101 A HA 0.416 4.736 4.320 -0.000 0.000 0.299 101 A C -2.522 174.968 177.584 -0.156 0.000 1.151 101 A CA -0.915 51.052 52.037 -0.117 0.000 0.851 101 A CB 0.394 19.328 19.000 -0.109 0.000 1.448 101 A HN -0.061 nan 8.150 nan 0.000 0.404 102 P HA -0.151 nan 4.420 nan 0.000 0.220 102 P C 0.956 178.172 177.300 -0.139 0.000 1.148 102 P CA 1.505 64.492 63.100 -0.189 0.000 0.803 102 P CB 0.160 31.763 31.700 -0.162 0.000 0.782 103 E N -0.630 119.501 120.200 -0.114 0.000 2.485 103 E HA 0.167 4.517 4.350 -0.000 0.000 0.194 103 E C 1.127 177.670 176.600 -0.095 0.000 1.098 103 E CA 0.315 56.660 56.400 -0.091 0.000 0.878 103 E CB -0.449 29.198 29.700 -0.088 0.000 0.939 103 E HN 0.109 nan 8.360 nan 0.000 0.503 104 A N 0.942 123.696 122.820 -0.110 0.000 2.538 104 A HA 0.445 4.764 4.320 -0.000 0.000 0.269 104 A C 0.999 178.519 177.584 -0.107 0.000 1.231 104 A CA -0.059 51.917 52.037 -0.102 0.000 0.948 104 A CB 0.297 19.239 19.000 -0.097 0.000 1.110 104 A HN 0.290 nan 8.150 nan 0.000 0.529 105 G N -1.200 107.529 108.800 -0.120 0.000 2.588 105 G HA2 0.535 4.495 3.960 -0.000 0.000 0.278 105 G HA3 0.535 4.495 3.960 -0.000 0.000 0.278 105 G C 0.882 175.721 174.900 -0.101 0.000 1.307 105 G CA 0.200 45.222 45.100 -0.130 0.000 1.016 105 G HN 1.451 nan 8.290 nan 0.000 0.503 106 G N -0.732 107.982 108.800 -0.143 0.000 2.578 106 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.284 106 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.284 106 G C 1.468 176.432 174.900 0.106 0.000 1.283 106 G CA 0.942 45.921 45.100 -0.203 0.000 0.944 106 G HN 1.420 nan 8.290 nan 0.000 0.558 107 S N -0.620 115.323 115.700 0.405 0.000 2.335 107 S HA 0.221 4.690 4.470 -0.000 0.000 0.216 107 S C 2.399 177.013 174.600 0.024 0.000 1.032 107 S CA 2.858 61.237 58.200 0.297 0.000 1.000 107 S CB -0.789 62.608 63.200 0.328 0.000 0.928 107 S HN 2.755 nan 8.310 nan 0.000 0.434 108 G N -0.289 108.494 108.800 -0.028 0.000 2.179 108 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.220 108 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.220 108 G C 0.777 175.600 174.900 -0.129 0.000 0.990 108 G CA 0.372 45.424 45.100 -0.079 0.000 0.646 108 G HN 0.505 nan 8.290 nan 0.000 0.517 109 I N 1.341 121.763 120.570 -0.245 0.000 2.252 109 I HA -0.057 4.113 4.170 -0.000 0.000 0.245 109 I C 0.246 176.253 176.117 -0.184 0.000 1.102 109 I CA 1.661 62.792 61.300 -0.282 0.000 1.385 109 I CB -0.604 37.055 38.000 -0.568 0.000 1.064 109 I HN 0.156 nan 8.210 nan 0.000 0.414 110 P HA -0.170 nan 4.420 nan 0.000 0.217 110 P C 1.379 178.670 177.300 -0.016 0.000 1.150 110 P CA 1.243 64.331 63.100 -0.020 0.000 0.832 110 P CB 0.098 31.835 31.700 0.061 0.000 0.787 111 E N -0.447 119.731 120.200 -0.036 0.000 2.077 111 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 111 E C 1.921 178.502 176.600 -0.030 0.000 0.989 111 E CA 0.994 57.375 56.400 -0.033 0.000 0.800 111 E CB -0.884 28.788 29.700 -0.046 0.000 0.746 111 E HN 0.040 nan 8.360 nan 0.000 0.452 112 I N 0.776 121.324 120.570 -0.037 0.000 2.394 112 I HA -0.163 4.006 4.170 -0.000 0.000 0.251 112 I C 2.286 178.396 176.117 -0.011 0.000 1.136 112 I CA 1.189 62.477 61.300 -0.021 0.000 1.425 112 I CB -0.885 37.103 38.000 -0.019 0.000 1.079 112 I HN 0.305 nan 8.210 nan 0.000 0.425 113 E N 0.985 121.177 120.200 -0.013 0.000 2.047 113 E HA -0.158 4.191 4.350 -0.000 0.000 0.191 113 E C 2.332 178.918 176.600 -0.023 0.000 0.987 113 E CA 1.229 57.618 56.400 -0.019 0.000 0.799 113 E CB -0.213 29.488 29.700 0.002 0.000 0.752 113 E HN 0.441 nan 8.360 nan 0.000 0.449 114 G N 0.830 109.620 108.800 -0.017 0.000 2.469 114 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.219 114 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.219 114 G C 1.647 176.549 174.900 0.004 0.000 1.150 114 G CA 1.029 46.119 45.100 -0.016 0.000 0.763 114 G HN 0.416 nan 8.290 nan 0.000 0.561 115 A N 0.162 122.989 122.820 0.012 0.000 2.024 115 A HA 0.084 4.403 4.320 -0.000 0.000 0.220 115 A C 2.359 179.999 177.584 0.094 0.000 1.164 115 A CA 1.260 53.319 52.037 0.036 0.000 0.643 115 A CB -0.280 18.733 19.000 0.021 0.000 0.806 115 A HN 0.398 nan 8.150 nan 0.000 0.451 116 L N -1.001 120.272 121.223 0.083 0.000 2.341 116 L HA 0.004 4.344 4.340 -0.000 0.000 0.214 116 L C 1.740 178.636 176.870 0.043 0.000 1.115 116 L CA 0.518 55.434 54.840 0.127 0.000 0.820 116 L CB -0.109 41.944 42.059 -0.010 0.000 0.944 116 L HN 0.241 nan 8.230 nan 0.000 0.452 117 E N -0.364 119.846 120.200 0.016 0.000 2.489 117 E HA -0.054 4.295 4.350 -0.000 0.000 0.193 117 E C -0.286 176.347 176.600 0.054 0.000 1.057 117 E CA 0.137 56.533 56.400 -0.005 0.000 0.866 117 E CB -0.063 29.601 29.700 -0.061 0.000 0.916 117 E HN 0.324 nan 8.360 nan 0.000 0.500 118 D N 1.187 121.652 120.400 0.108 0.000 2.689 118 D HA -0.188 4.452 4.640 -0.000 0.000 0.237 118 D C 0.336 176.659 176.300 0.038 0.000 1.148 118 D CA 0.474 54.523 54.000 0.080 0.000 0.656 118 D CB -0.439 40.417 40.800 0.094 0.000 1.050 118 D HN 0.288 nan 8.370 nan 0.000 0.426 119 Q N -0.699 119.114 119.800 0.021 0.000 2.164 119 Q HA 0.129 4.469 4.340 -0.000 0.000 0.226 119 Q C 0.376 176.378 176.000 0.004 0.000 0.813 119 Q CA 0.177 55.984 55.803 0.005 0.000 0.978 119 Q CB 1.273 30.003 28.738 -0.014 0.000 1.149 119 Q HN 0.218 nan 8.270 nan 0.000 0.489 120 R N 0.874 121.379 120.500 0.008 0.000 2.668 120 R HA 0.533 4.873 4.340 -0.000 0.000 0.272 120 R C -2.698 173.605 176.300 0.006 0.000 1.019 120 R CA -1.749 54.352 56.100 0.001 0.000 0.894 120 R CB 1.331 31.626 30.300 -0.009 0.000 1.228 120 R HN -0.074 nan 8.270 nan 0.000 0.460 121 P HA 0.363 nan 4.420 nan 0.000 0.287 121 P C -0.534 176.744 177.300 -0.037 0.000 1.270 121 P CA -0.649 62.454 63.100 0.006 0.000 0.844 121 P CB 1.177 32.891 31.700 0.024 0.000 1.068 122 V N 3.290 123.190 119.914 -0.022 0.000 2.218 122 V HA 0.239 4.358 4.120 -0.000 0.000 0.261 122 V C 1.087 177.039 176.094 -0.238 0.000 1.142 122 V CA -0.447 61.818 62.300 -0.058 0.000 0.965 122 V CB -0.598 31.252 31.823 0.044 0.000 1.190 122 V HN 0.411 nan 8.190 nan 0.000 0.478 123 R N 4.565 124.753 120.500 -0.521 0.000 4.154 123 R HA 0.030 4.370 4.340 -0.000 0.000 0.186 123 R C 1.474 176.944 176.300 -1.383 0.000 1.750 123 R CA -0.181 55.077 56.100 -1.403 0.000 1.431 123 R CB -0.016 29.686 30.300 -0.996 0.000 1.383 123 R HN 0.932 nan 8.270 nan 0.000 0.788 124 W N 1.522 122.300 121.300 -0.869 0.000 2.333 124 W HA -0.266 4.394 4.660 -0.000 0.000 0.316 124 W C 1.030 177.374 176.519 -0.292 0.000 1.215 124 W CA 0.962 58.081 57.345 -0.377 0.000 1.278 124 W CB -1.358 28.044 29.460 -0.098 0.000 1.154 124 W HN 0.500 nan 8.180 nan 0.000 0.486 125 W N 1.972 122.827 121.300 -0.742 0.000 2.303 125 W HA -0.194 4.466 4.660 -0.000 0.000 0.287 125 W C 2.117 178.519 176.519 -0.195 0.000 1.213 125 W CA 2.069 59.054 57.345 -0.600 0.000 1.203 125 W CB -1.417 27.510 29.460 -0.888 0.000 1.136 125 W HN -0.129 nan 8.180 nan 0.000 0.547 126 R N 0.382 120.525 120.500 -0.594 0.000 2.056 126 R HA 0.034 4.374 4.340 -0.000 0.000 0.215 126 R C 2.369 178.569 176.300 -0.167 0.000 1.205 126 R CA 1.173 57.102 56.100 -0.284 0.000 1.020 126 R CB -0.834 29.262 30.300 -0.339 0.000 0.911 126 R HN 0.120 nan 8.270 nan 0.000 0.451 127 V N 2.417 122.196 119.914 -0.226 0.000 2.255 127 V HA -0.276 3.843 4.120 -0.000 0.000 0.247 127 V C 2.417 178.504 176.094 -0.012 0.000 1.051 127 V CA 1.787 64.019 62.300 -0.114 0.000 1.018 127 V CB -0.746 30.996 31.823 -0.135 0.000 0.641 127 V HN 0.254 nan 8.190 nan 0.000 0.445 128 L N 0.543 121.789 121.223 0.039 0.000 1.957 128 L HA -0.205 4.135 4.340 -0.000 0.000 0.228 128 L C 0.438 177.395 176.870 0.144 0.000 1.086 128 L CA 2.555 57.461 54.840 0.109 0.000 0.796 128 L CB -2.346 39.816 42.059 0.172 0.000 0.900 128 L HN 0.348 nan 8.230 nan 0.000 0.439 129 P HA -0.116 nan 4.420 nan 0.000 0.218 129 P C 1.922 179.404 177.300 0.303 0.000 1.148 129 P CA 1.332 64.584 63.100 0.254 0.000 0.822 129 P CB -0.033 31.784 31.700 0.195 0.000 0.784 130 V N 0.667 120.665 119.914 0.140 0.000 2.261 130 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 130 V C 2.780 178.959 176.094 0.142 0.000 1.047 130 V CA 2.283 64.645 62.300 0.104 0.000 1.015 130 V CB -1.099 30.730 31.823 0.010 0.000 0.642 130 V HN 0.083 nan 8.190 nan 0.000 0.446 131 K N -0.314 120.141 120.400 0.091 0.000 1.985 131 K HA -0.154 4.166 4.320 -0.000 0.000 0.210 131 K C 1.886 178.559 176.600 0.123 0.000 1.047 131 K CA 1.579 57.895 56.287 0.049 0.000 0.932 131 K CB -0.717 31.757 32.500 -0.044 0.000 0.716 131 K HN 0.245 nan 8.250 nan 0.000 0.439 132 F N 0.453 120.382 119.950 -0.035 0.000 2.025 132 F HA -0.299 4.228 4.527 -0.001 0.000 0.297 132 F C 1.836 177.658 175.800 0.037 0.000 1.171 132 F CA 2.149 60.115 58.000 -0.056 0.000 1.204 132 F CB -0.925 37.888 39.000 -0.312 0.000 0.948 132 F HN 0.063 nan 8.300 nan 0.000 0.512 133 F N 0.452 120.792 119.950 0.649 0.000 2.216 133 F HA -0.017 4.509 4.527 -0.000 0.000 0.300 133 F C 2.589 178.667 175.800 0.464 0.000 1.085 133 F CA 1.128 59.427 58.000 0.498 0.000 1.326 133 F CB -1.550 37.695 39.000 0.408 0.000 1.027 133 F HN 0.128 nan 8.300 nan 0.000 0.497 134 G N 0.016 109.112 108.800 0.494 0.000 2.484 134 G HA2 -0.156 3.803 3.960 -0.000 0.000 0.215 134 G HA3 -0.156 3.803 3.960 -0.000 0.000 0.215 134 G C 2.079 177.150 174.900 0.285 0.000 1.219 134 G CA 0.864 46.166 45.100 0.337 0.000 0.791 134 G HN 0.479 nan 8.290 nan 0.000 0.550 135 G N 0.645 109.595 108.800 0.250 0.000 2.421 135 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.216 135 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.216 135 G C 1.727 176.785 174.900 0.264 0.000 1.171 135 G CA 0.881 46.135 45.100 0.256 0.000 0.775 135 G HN 0.352 nan 8.290 nan 0.000 0.543 136 L N 1.597 122.982 121.223 0.270 0.000 2.302 136 L HA -0.111 4.229 4.340 -0.000 0.000 0.218 136 L C 2.537 179.439 176.870 0.053 0.000 1.100 136 L CA 2.010 56.838 54.840 -0.020 0.000 0.774 136 L CB -0.604 41.495 42.059 0.067 0.000 0.896 136 L HN 0.231 nan 8.230 nan 0.000 0.439 137 G N -3.044 105.860 108.800 0.174 0.000 2.486 137 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.210 137 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.210 137 G C 1.429 176.428 174.900 0.166 0.000 1.168 137 G CA 0.682 45.889 45.100 0.178 0.000 0.820 137 G HN 0.451 nan 8.290 nan 0.000 0.544 138 T N 0.626 115.285 114.554 0.176 0.000 2.737 138 T HA 0.040 4.390 4.350 -0.000 0.000 0.265 138 T C 2.321 177.092 174.700 0.119 0.000 1.038 138 T CA 0.629 62.822 62.100 0.155 0.000 1.144 138 T CB -0.273 68.663 68.868 0.113 0.000 0.866 138 T HN -0.010 nan 8.240 nan 0.000 0.434 139 L N 1.575 122.860 121.223 0.104 0.000 2.017 139 L HA 0.041 4.381 4.340 -0.000 0.000 0.208 139 L C 3.143 180.033 176.870 0.033 0.000 1.073 139 L CA 2.226 57.106 54.840 0.067 0.000 0.745 139 L CB -1.925 40.169 42.059 0.060 0.000 0.894 139 L HN 0.507 nan 8.230 nan 0.000 0.432 140 G N -0.135 108.676 108.800 0.017 0.000 2.469 140 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.219 140 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.219 140 G C 1.494 176.421 174.900 0.044 0.000 1.150 140 G CA 0.872 45.986 45.100 0.023 0.000 0.763 140 G HN 0.513 nan 8.290 nan 0.000 0.561 141 G N -0.197 108.640 108.800 0.060 0.000 2.625 141 G HA2 0.332 4.292 3.960 -0.000 0.000 0.214 141 G HA3 0.332 4.292 3.960 -0.000 0.000 0.214 141 G C 1.228 176.156 174.900 0.047 0.000 1.132 141 G CA 0.622 45.755 45.100 0.054 0.000 0.782 141 G HN 1.565 nan 8.290 nan 0.000 0.538 142 G N -0.446 108.385 108.800 0.052 0.000 2.204 142 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.244 142 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.244 142 G C 0.327 175.263 174.900 0.059 0.000 1.062 142 G CA 0.173 45.305 45.100 0.053 0.000 0.798 142 G HN 0.416 nan 8.290 nan 0.000 0.496 143 M N -0.325 119.318 119.600 0.072 0.000 2.240 143 M HA 0.258 4.738 4.480 -0.000 0.000 0.333 143 M C 1.232 177.583 176.300 0.084 0.000 1.110 143 M CA -0.164 55.189 55.300 0.089 0.000 1.173 143 M CB 1.097 33.772 32.600 0.124 0.000 1.458 143 M HN -0.063 nan 8.290 nan 0.000 0.458 144 V N 5.165 125.135 119.914 0.094 0.000 2.054 144 V HA 0.122 4.242 4.120 -0.000 0.000 0.243 144 V C -0.110 176.051 176.094 0.112 0.000 1.480 144 V CA 0.476 62.829 62.300 0.088 0.000 1.440 144 V CB -1.673 30.206 31.823 0.093 0.000 1.489 144 V HN 0.535 nan 8.190 nan 0.000 0.502 145 L N 1.546 122.825 121.223 0.092 0.000 2.424 145 L HA 0.786 5.126 4.340 -0.000 0.000 0.258 145 L C 0.458 177.359 176.870 0.053 0.000 0.995 145 L CA -0.629 54.278 54.840 0.112 0.000 0.821 145 L CB 2.138 44.290 42.059 0.155 0.000 1.383 145 L HN 0.409 nan 8.230 nan 0.000 0.410 146 G N -0.168 108.662 108.800 0.050 0.000 2.412 146 G HA2 0.439 4.399 3.960 -0.000 0.000 0.318 146 G HA3 0.439 4.399 3.960 -0.000 0.000 0.318 146 G C 0.583 175.471 174.900 -0.019 0.000 1.146 146 G CA -0.633 44.461 45.100 -0.011 0.000 0.882 146 G HN 0.825 nan 8.290 nan 0.000 0.501 147 R N 0.151 120.615 120.500 -0.060 0.000 2.328 147 R HA -0.008 4.331 4.340 -0.000 0.000 0.207 147 R C 1.164 177.294 176.300 -0.283 0.000 1.056 147 R CA 1.207 57.271 56.100 -0.060 0.000 1.016 147 R CB -0.030 30.312 30.300 0.070 0.000 0.872 147 R HN 0.505 nan 8.270 nan 0.000 0.471 148 E N 1.887 121.905 120.200 -0.303 0.000 2.017 148 E HA -0.072 4.277 4.350 -0.000 0.000 0.193 148 E C 2.191 178.596 176.600 -0.326 0.000 0.997 148 E CA 1.422 57.590 56.400 -0.387 0.000 0.804 148 E CB -0.820 28.639 29.700 -0.402 0.000 0.757 148 E HN 0.426 nan 8.360 nan 0.000 0.448 149 G N 2.097 110.771 108.800 -0.211 0.000 2.802 149 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.222 149 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.222 149 G C -0.869 173.895 174.900 -0.227 0.000 1.248 149 G CA 1.678 46.691 45.100 -0.146 0.000 0.787 149 G HN 0.277 nan 8.290 nan 0.000 0.643 150 P HA -0.186 nan 4.420 nan 0.000 0.212 150 P C 2.466 179.459 177.300 -0.512 0.000 1.174 150 P CA 3.087 65.894 63.100 -0.487 0.000 0.934 150 P CB -0.670 30.493 31.700 -0.895 0.000 0.791 151 T N -2.980 111.225 114.554 -0.582 0.000 2.759 151 T HA -0.129 4.221 4.350 -0.000 0.000 0.269 151 T C 1.793 176.321 174.700 -0.287 0.000 1.042 151 T CA 1.662 63.496 62.100 -0.444 0.000 1.140 151 T CB -1.559 67.067 68.868 -0.403 0.000 0.864 151 T HN -0.133 nan 8.240 nan 0.000 0.455 152 V N 1.663 121.417 119.914 -0.268 0.000 2.270 152 V HA -0.176 3.943 4.120 -0.000 0.000 0.245 152 V C 2.951 178.967 176.094 -0.130 0.000 1.043 152 V CA 2.129 64.322 62.300 -0.178 0.000 1.014 152 V CB -0.969 30.737 31.823 -0.195 0.000 0.645 152 V HN 0.529 nan 8.190 nan 0.000 0.447 153 Q N -0.225 119.484 119.800 -0.152 0.000 1.990 153 Q HA -0.179 4.160 4.340 -0.000 0.000 0.200 153 Q C 2.306 178.241 176.000 -0.109 0.000 0.980 153 Q CA 2.100 57.833 55.803 -0.117 0.000 0.832 153 Q CB -0.220 28.445 28.738 -0.121 0.000 0.897 153 Q HN 0.604 nan 8.270 nan 0.000 0.427 154 I N 0.544 121.025 120.570 -0.148 0.000 2.145 154 I HA -0.335 3.834 4.170 -0.000 0.000 0.244 154 I C 2.310 178.373 176.117 -0.089 0.000 1.075 154 I CA 1.437 62.667 61.300 -0.116 0.000 1.332 154 I CB -0.776 37.115 38.000 -0.182 0.000 1.033 154 I HN 0.449 nan 8.210 nan 0.000 0.410 155 G N 0.260 108.992 108.800 -0.114 0.000 2.491 155 G HA2 -0.238 3.721 3.960 -0.000 0.000 0.218 155 G HA3 -0.238 3.721 3.960 -0.000 0.000 0.218 155 G C 1.699 176.562 174.900 -0.062 0.000 1.180 155 G CA 0.962 46.009 45.100 -0.087 0.000 0.774 155 G HN 0.521 nan 8.290 nan 0.000 0.562 156 G N 1.114 109.883 108.800 -0.052 0.000 2.491 156 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.218 156 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.218 156 G C 1.757 176.639 174.900 -0.030 0.000 1.180 156 G CA 1.402 46.483 45.100 -0.033 0.000 0.774 156 G HN 0.481 nan 8.290 nan 0.000 0.562 157 N N 0.652 119.338 118.700 -0.024 0.000 2.043 157 N HA -0.063 4.677 4.740 -0.000 0.000 0.193 157 N C 2.144 177.626 175.510 -0.047 0.000 1.037 157 N CA 0.999 54.056 53.050 0.012 0.000 0.851 157 N CB -0.371 38.147 38.487 0.050 0.000 1.027 157 N HN 0.362 nan 8.380 nan 0.000 0.422 158 I N 0.376 120.906 120.570 -0.067 0.000 2.300 158 I HA -0.265 3.905 4.170 -0.000 0.000 0.252 158 I C 2.227 178.251 176.117 -0.155 0.000 1.119 158 I CA 1.435 62.662 61.300 -0.121 0.000 1.384 158 I CB -0.558 37.394 38.000 -0.081 0.000 1.062 158 I HN 0.266 nan 8.210 nan 0.000 0.426 159 G N -0.110 108.626 108.800 -0.107 0.000 2.408 159 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.217 159 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.217 159 G C 1.859 176.695 174.900 -0.107 0.000 1.150 159 G CA 0.166 45.209 45.100 -0.096 0.000 0.776 159 G HN 0.155 nan 8.290 nan 0.000 0.542 160 R N -0.184 120.256 120.500 -0.100 0.000 2.075 160 R HA 0.148 4.488 4.340 -0.000 0.000 0.226 160 R C 2.445 178.604 176.300 -0.235 0.000 1.114 160 R CA 0.922 56.982 56.100 -0.067 0.000 0.972 160 R CB -0.629 29.711 30.300 0.066 0.000 0.869 160 R HN 0.455 nan 8.270 nan 0.000 0.437 161 M N 0.908 120.130 119.600 -0.631 0.000 2.088 161 M HA -0.209 4.271 4.480 -0.000 0.000 0.256 161 M C 2.063 178.031 176.300 -0.553 0.000 1.071 161 M CA 2.457 56.993 55.300 -1.273 0.000 1.097 161 M CB -0.146 31.656 32.600 -1.329 0.000 1.315 161 M HN 0.042 nan 8.290 nan 0.000 0.406 162 V N -1.000 118.731 119.914 -0.306 0.000 2.809 162 V HA -0.160 3.960 4.120 -0.000 0.000 0.256 162 V C 2.159 178.239 176.094 -0.023 0.000 1.080 162 V CA 1.393 63.621 62.300 -0.119 0.000 1.102 162 V CB -1.291 30.418 31.823 -0.190 0.000 0.705 162 V HN 0.619 nan 8.190 nan 0.000 0.475 163 L N 1.340 122.533 121.223 -0.050 0.000 1.994 163 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 163 L C 2.250 179.175 176.870 0.092 0.000 1.071 163 L CA 2.525 57.376 54.840 0.017 0.000 0.745 163 L CB -0.837 41.224 42.059 0.004 0.000 0.892 163 L HN 0.261 nan 8.230 nan 0.000 0.431 164 D N 0.102 120.561 120.400 0.099 0.000 2.077 164 D HA -0.207 4.433 4.640 -0.000 0.000 0.193 164 D C 2.303 178.697 176.300 0.158 0.000 0.989 164 D CA 2.154 56.256 54.000 0.171 0.000 0.831 164 D CB -0.414 40.587 40.800 0.334 0.000 0.979 164 D HN 0.431 nan 8.370 nan 0.000 0.449 165 I N -0.310 120.348 120.570 0.146 0.000 2.479 165 I HA -0.265 3.905 4.170 -0.000 0.000 0.258 165 I C 1.462 177.614 176.117 0.059 0.000 1.165 165 I CA 1.046 62.418 61.300 0.120 0.000 1.422 165 I CB -0.149 37.918 38.000 0.112 0.000 1.087 165 I HN -0.058 nan 8.210 nan 0.000 0.441 166 F N 0.008 119.952 119.950 -0.011 0.000 2.682 166 F HA 0.283 4.810 4.527 -0.000 0.000 0.308 166 F C 0.536 176.333 175.800 -0.005 0.000 1.093 166 F CA -0.482 57.511 58.000 -0.011 0.000 1.244 166 F CB 0.361 39.351 39.000 -0.017 0.000 1.052 166 F HN -0.176 nan 8.300 nan 0.000 0.573 167 R N 1.549 122.138 120.500 0.149 0.000 2.877 167 R HA -0.176 4.164 4.340 -0.000 0.000 0.275 167 R C -1.172 175.178 176.300 0.083 0.000 0.924 167 R CA 0.097 56.251 56.100 0.090 0.000 0.715 167 R CB -2.104 28.225 30.300 0.047 0.000 1.761 167 R HN 0.291 nan 8.270 nan 0.000 0.498 168 L N 2.698 123.967 121.223 0.077 0.000 2.276 168 L HA 0.302 4.642 4.340 -0.000 0.000 0.286 168 L C 0.594 177.482 176.870 0.029 0.000 1.024 168 L CA -0.523 54.348 54.840 0.052 0.000 0.826 168 L CB 1.277 43.362 42.059 0.043 0.000 1.211 168 L HN 0.213 nan 8.230 nan 0.000 0.422 169 K N 2.518 122.932 120.400 0.024 0.000 2.202 169 K HA 0.653 4.973 4.320 -0.000 0.000 0.264 169 K C 0.225 176.829 176.600 0.008 0.000 1.010 169 K CA -0.085 56.211 56.287 0.015 0.000 0.940 169 K CB 1.136 33.645 32.500 0.016 0.000 0.983 169 K HN 0.763 nan 8.250 nan 0.000 0.475 170 G N 1.849 110.650 108.800 0.003 0.000 2.770 170 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.686 170 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.686 170 G C -0.280 174.613 174.900 -0.013 0.000 1.180 170 G CA -0.809 44.293 45.100 0.004 0.000 0.767 170 G HN 0.628 nan 8.290 nan 0.000 0.646 171 D N 0.075 120.478 120.400 0.005 0.000 2.178 171 D HA -0.067 4.573 4.640 -0.000 0.000 0.201 171 D C 1.970 178.304 176.300 0.056 0.000 0.980 171 D CA 1.398 55.407 54.000 0.014 0.000 0.842 171 D CB 0.104 40.974 40.800 0.117 0.000 0.948 171 D HN 0.704 nan 8.370 nan 0.000 0.472 172 E N 0.615 120.844 120.200 0.047 0.000 2.013 172 E HA -0.227 4.123 4.350 -0.000 0.000 0.202 172 E C 2.042 178.655 176.600 0.021 0.000 1.018 172 E CA 1.279 57.702 56.400 0.037 0.000 0.834 172 E CB -0.033 29.679 29.700 0.020 0.000 0.770 172 E HN 0.144 nan 8.360 nan 0.000 0.459 173 A N 1.385 124.206 122.820 0.003 0.000 1.873 173 A HA -0.287 4.033 4.320 -0.000 0.000 0.218 173 A C 2.211 179.779 177.584 -0.026 0.000 1.193 173 A CA 2.091 54.124 52.037 -0.007 0.000 0.629 173 A CB -0.760 18.238 19.000 -0.004 0.000 0.826 173 A HN 0.292 nan 8.150 nan 0.000 0.447 174 R N -1.313 119.146 120.500 -0.067 0.000 2.082 174 R HA -0.209 4.131 4.340 -0.000 0.000 0.234 174 R C 2.153 178.381 176.300 -0.121 0.000 1.136 174 R CA 2.214 58.236 56.100 -0.129 0.000 0.935 174 R CB -0.513 29.642 30.300 -0.241 0.000 0.842 174 R HN 0.762 nan 8.270 nan 0.000 0.430 175 H N -1.179 117.880 119.070 -0.018 0.000 2.387 175 H HA -0.051 4.505 4.556 -0.001 0.000 0.299 175 H C 2.084 177.390 175.328 -0.038 0.000 1.090 175 H CA 1.773 57.801 56.048 -0.033 0.000 1.332 175 H CB 0.045 29.777 29.762 -0.049 0.000 1.386 175 H HN 0.256 nan 8.280 nan 0.000 0.516 176 T N 0.855 115.453 114.554 0.074 0.000 2.643 176 T HA -0.114 4.236 4.350 -0.000 0.000 0.264 176 T C 2.078 176.786 174.700 0.013 0.000 1.045 176 T CA 1.080 63.198 62.100 0.029 0.000 1.155 176 T CB -0.291 68.586 68.868 0.014 0.000 0.863 176 T HN 0.210 nan 8.240 nan 0.000 0.420 177 L N 0.532 121.754 121.223 -0.003 0.000 2.265 177 L HA -0.041 4.299 4.340 -0.000 0.000 0.215 177 L C 2.425 179.283 176.870 -0.019 0.000 1.117 177 L CA 0.708 55.536 54.840 -0.021 0.000 0.782 177 L CB -0.579 41.456 42.059 -0.040 0.000 0.914 177 L HN 0.232 nan 8.230 nan 0.000 0.441 178 L N 0.044 121.265 121.223 -0.004 0.000 2.095 178 L HA -0.026 4.314 4.340 -0.000 0.000 0.204 178 L C 2.648 179.523 176.870 0.008 0.000 1.080 178 L CA 1.729 56.570 54.840 0.002 0.000 0.759 178 L CB -0.482 41.589 42.059 0.019 0.000 0.914 178 L HN 0.095 nan 8.230 nan 0.000 0.439 179 A N -0.875 121.955 122.820 0.016 0.000 1.845 179 A HA -0.240 4.079 4.320 -0.000 0.000 0.215 179 A C 2.401 179.994 177.584 0.015 0.000 1.195 179 A CA 2.468 54.510 52.037 0.008 0.000 0.616 179 A CB -1.522 17.479 19.000 0.002 0.000 0.832 179 A HN 0.579 nan 8.150 nan 0.000 0.443 180 T N -2.241 112.321 114.554 0.014 0.000 2.849 180 T HA 0.020 4.370 4.350 -0.000 0.000 0.270 180 T C 1.774 176.474 174.700 0.000 0.000 1.066 180 T CA 1.850 63.960 62.100 0.016 0.000 1.130 180 T CB -0.724 68.151 68.868 0.012 0.000 0.864 180 T HN 0.434 nan 8.240 nan 0.000 0.481 181 G N 1.095 109.888 108.800 -0.012 0.000 2.414 181 G HA2 0.126 4.086 3.960 -0.000 0.000 0.215 181 G HA3 0.126 4.086 3.960 -0.000 0.000 0.215 181 G C 1.974 176.863 174.900 -0.019 0.000 1.188 181 G CA 0.697 45.780 45.100 -0.028 0.000 0.783 181 G HN 0.738 nan 8.290 nan 0.000 0.537 182 A N 0.928 123.750 122.820 0.004 0.000 2.019 182 A HA 0.300 4.620 4.320 -0.000 0.000 0.219 182 A C 2.694 180.328 177.584 0.083 0.000 1.164 182 A CA 2.155 54.213 52.037 0.036 0.000 0.644 182 A CB -0.566 18.474 19.000 0.067 0.000 0.805 182 A HN 0.683 nan 8.150 nan 0.000 0.449 183 A N 0.016 122.883 122.820 0.078 0.000 1.826 183 A HA 0.244 4.564 4.320 -0.000 0.000 0.214 183 A C 2.537 180.139 177.584 0.030 0.000 1.212 183 A CA 1.916 54.012 52.037 0.098 0.000 0.605 183 A CB -1.386 17.660 19.000 0.078 0.000 0.861 183 A HN 1.183 nan 8.150 nan 0.000 0.447 184 A N -0.570 122.249 122.820 -0.003 0.000 2.009 184 A HA -0.052 4.268 4.320 -0.000 0.000 0.222 184 A C 2.326 179.873 177.584 -0.062 0.000 1.175 184 A CA 2.342 54.358 52.037 -0.034 0.000 0.651 184 A CB -1.449 17.529 19.000 -0.036 0.000 0.815 184 A HN 0.852 nan 8.150 nan 0.000 0.459 185 G N -0.564 108.196 108.800 -0.068 0.000 2.404 185 G HA2 -0.097 3.862 3.960 -0.000 0.000 0.215 185 G HA3 -0.097 3.862 3.960 -0.000 0.000 0.215 185 G C 1.530 176.332 174.900 -0.163 0.000 1.174 185 G CA 1.026 46.053 45.100 -0.122 0.000 0.780 185 G HN 0.540 nan 8.290 nan 0.000 0.537 186 L N 0.911 122.064 121.223 -0.118 0.000 2.056 186 L HA 0.202 4.542 4.340 -0.000 0.000 0.207 186 L C 3.132 179.970 176.870 -0.054 0.000 1.078 186 L CA 1.851 56.612 54.840 -0.131 0.000 0.749 186 L CB -0.385 41.593 42.059 -0.137 0.000 0.901 186 L HN 0.244 nan 8.230 nan 0.000 0.433 187 A N 0.100 122.891 122.820 -0.047 0.000 1.849 187 A HA -0.264 4.055 4.320 -0.000 0.000 0.217 187 A C 2.431 179.911 177.584 -0.173 0.000 1.202 187 A CA 2.206 54.205 52.037 -0.064 0.000 0.629 187 A CB -1.498 17.463 19.000 -0.065 0.000 0.834 187 A HN 0.561 nan 8.150 nan 0.000 0.447 188 A N -0.814 121.887 122.820 -0.198 0.000 2.131 188 A HA 0.172 4.492 4.320 -0.000 0.000 0.220 188 A C 2.246 179.566 177.584 -0.441 0.000 1.158 188 A CA 2.002 53.863 52.037 -0.294 0.000 0.665 188 A CB -0.752 18.178 19.000 -0.116 0.000 0.795 188 A HN 1.163 nan 8.150 nan 0.000 0.460 189 A N -2.109 120.458 122.820 -0.421 0.000 2.072 189 A HA 0.360 4.679 4.320 -0.000 0.000 0.216 189 A C 1.371 178.485 177.584 -0.784 0.000 1.156 189 A CA 0.877 52.550 52.037 -0.607 0.000 0.701 189 A CB -0.235 18.299 19.000 -0.776 0.000 0.816 189 A HN 0.510 nan 8.150 nan 0.000 0.458 190 F N -1.835 117.975 119.950 -0.234 0.000 2.798 190 F HA 0.267 4.793 4.527 -0.001 0.000 0.328 190 F C 0.783 176.407 175.800 -0.294 0.000 1.098 190 F CA -0.164 57.724 58.000 -0.187 0.000 1.172 190 F CB 0.452 39.397 39.000 -0.090 0.000 1.072 190 F HN 0.177 nan 8.300 nan 0.000 0.555 191 N N 1.958 120.420 118.700 -0.397 0.000 2.727 191 N HA -0.222 4.518 4.740 -0.000 0.000 0.249 191 N C -0.521 174.934 175.510 -0.092 0.000 1.048 191 N CA 0.755 53.607 53.050 -0.331 0.000 0.714 191 N CB -0.907 37.492 38.487 -0.147 0.000 0.959 191 N HN 0.345 nan 8.380 nan 0.000 0.544 192 A N 0.441 123.231 122.820 -0.051 0.000 2.938 192 A HA 0.486 4.806 4.320 -0.000 0.000 0.344 192 A C -1.024 176.537 177.584 -0.037 0.000 1.142 192 A CA -0.873 51.154 52.037 -0.018 0.000 0.841 192 A CB 0.999 20.013 19.000 0.023 0.000 1.083 192 A HN 0.197 nan 8.150 nan 0.000 0.479 193 P HA -0.222 nan 4.420 nan 0.000 0.214 193 P C 1.676 178.904 177.300 -0.119 0.000 1.163 193 P CA 1.023 64.062 63.100 -0.102 0.000 0.883 193 P CB 0.110 31.736 31.700 -0.123 0.000 0.788 194 L N -0.574 120.584 121.223 -0.109 0.000 1.990 194 L HA -0.211 4.129 4.340 -0.000 0.000 0.213 194 L C 2.836 179.691 176.870 -0.026 0.000 1.072 194 L CA 2.045 56.832 54.840 -0.089 0.000 0.755 194 L CB -1.480 40.543 42.059 -0.061 0.000 0.889 194 L HN -0.024 nan 8.230 nan 0.000 0.432 195 A N 0.393 123.205 122.820 -0.013 0.000 1.908 195 A HA -0.167 4.152 4.320 -0.000 0.000 0.218 195 A C 2.392 180.028 177.584 0.087 0.000 1.181 195 A CA 1.895 53.946 52.037 0.023 0.000 0.627 195 A CB -1.329 17.657 19.000 -0.023 0.000 0.818 195 A HN 0.477 nan 8.150 nan 0.000 0.445 196 G N 0.391 109.227 108.800 0.060 0.000 2.545 196 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.217 196 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.217 196 G C 1.509 176.495 174.900 0.143 0.000 1.218 196 G CA 1.409 46.569 45.100 0.099 0.000 0.787 196 G HN 0.521 nan 8.290 nan 0.000 0.571 197 I N 0.349 120.952 120.570 0.055 0.000 2.118 197 I HA -0.162 4.007 4.170 -0.000 0.000 0.241 197 I C 2.672 178.873 176.117 0.139 0.000 1.070 197 I CA 0.607 61.958 61.300 0.084 0.000 1.327 197 I CB -0.390 37.619 38.000 0.014 0.000 1.034 197 I HN 0.061 nan 8.210 nan 0.000 0.405 198 L N -0.026 121.276 121.223 0.132 0.000 2.079 198 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 198 L C 2.582 179.583 176.870 0.217 0.000 1.081 198 L CA 1.982 56.911 54.840 0.149 0.000 0.752 198 L CB -1.117 41.012 42.059 0.117 0.000 0.896 198 L HN 0.262 nan 8.230 nan 0.000 0.433 199 F N 0.922 120.923 119.950 0.084 0.000 2.043 199 F HA -0.303 4.224 4.527 -0.001 0.000 0.297 199 F C 2.454 178.342 175.800 0.146 0.000 1.121 199 F CA 1.473 59.545 58.000 0.121 0.000 1.199 199 F CB -0.398 38.665 39.000 0.105 0.000 0.968 199 F HN -0.056 nan 8.300 nan 0.000 0.478 200 I N 1.569 122.116 120.570 -0.039 0.000 2.052 200 I HA -0.323 3.846 4.170 -0.000 0.000 0.235 200 I C 2.771 178.852 176.117 -0.059 0.000 1.046 200 I CA 2.306 63.530 61.300 -0.127 0.000 1.308 200 I CB -1.803 36.188 38.000 -0.016 0.000 1.031 200 I HN 0.393 nan 8.210 nan 0.000 0.395 201 I N -1.244 119.343 120.570 0.028 0.000 2.286 201 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 201 I C 2.435 178.580 176.117 0.047 0.000 1.115 201 I CA 1.829 63.154 61.300 0.042 0.000 1.392 201 I CB -0.544 37.502 38.000 0.077 0.000 1.065 201 I HN 0.309 nan 8.210 nan 0.000 0.418 202 E N 0.170 120.417 120.200 0.078 0.000 2.076 202 E HA -0.244 4.106 4.350 -0.000 0.000 0.190 202 E C 1.960 178.629 176.600 0.114 0.000 0.979 202 E CA 1.211 57.672 56.400 0.102 0.000 0.807 202 E CB -0.015 29.769 29.700 0.140 0.000 0.761 202 E HN 0.743 nan 8.360 nan 0.000 0.454 203 H N -1.406 117.644 119.070 -0.033 0.000 2.258 203 H HA 0.082 4.638 4.556 -0.001 0.000 0.250 203 H C 1.758 176.983 175.328 -0.171 0.000 0.908 203 H CA 0.194 56.212 56.048 -0.050 0.000 1.096 203 H CB 0.259 30.054 29.762 0.055 0.000 1.422 203 H HN 0.092 nan 8.280 nan 0.000 0.469 204 M N 1.886 121.326 119.600 -0.266 0.000 2.476 204 M HA 0.061 4.541 4.480 -0.000 0.000 0.262 204 M C 0.861 177.026 176.300 -0.226 0.000 1.079 204 M CA 0.495 55.576 55.300 -0.365 0.000 1.104 204 M CB -0.875 31.299 32.600 -0.709 0.000 1.409 204 M HN 0.009 nan 8.290 nan 0.000 0.467 205 R N 1.302 121.701 120.500 -0.168 0.000 2.585 205 R HA 0.022 4.362 4.340 -0.000 0.000 0.275 205 R C -2.148 174.076 176.300 -0.127 0.000 1.018 205 R CA -1.234 54.790 56.100 -0.127 0.000 1.072 205 R CB 0.072 30.325 30.300 -0.078 0.000 0.953 205 R HN 0.008 nan 8.270 nan 0.000 0.419 206 P HA -0.025 nan 4.420 nan 0.000 0.257 206 P C -1.014 176.277 177.300 -0.016 0.000 1.359 206 P CA 0.383 63.424 63.100 -0.099 0.000 1.239 206 P CB 0.233 31.846 31.700 -0.144 0.000 1.549 207 Q N 1.278 121.086 119.800 0.013 0.000 3.179 207 Q HA 0.220 4.560 4.340 -0.000 0.000 0.328 207 Q C 0.059 176.222 176.000 0.272 0.000 1.336 207 Q CA 0.395 56.250 55.803 0.087 0.000 0.939 207 Q CB -0.546 28.214 28.738 0.036 0.000 1.658 207 Q HN 0.357 nan 8.270 nan 0.000 0.486 208 F N -0.783 119.147 119.950 -0.034 0.000 2.784 208 F HA 0.285 4.811 4.527 -0.001 0.000 0.316 208 F C 0.770 176.568 175.800 -0.002 0.000 1.026 208 F CA 0.083 58.072 58.000 -0.017 0.000 1.188 208 F CB 0.686 39.674 39.000 -0.020 0.000 0.999 208 F HN 0.120 nan 8.300 nan 0.000 0.605 209 R N -1.744 118.851 120.500 0.159 0.000 2.810 209 R HA 0.214 4.554 4.340 -0.000 0.000 0.266 209 R C -1.215 175.166 176.300 0.135 0.000 1.061 209 R CA -0.508 55.658 56.100 0.110 0.000 0.943 209 R CB 0.468 30.828 30.300 0.100 0.000 1.237 209 R HN -0.093 nan 8.270 nan 0.000 0.459 210 Y N 1.316 121.610 120.300 -0.010 0.000 2.394 210 Y HA 0.213 4.762 4.550 -0.001 0.000 0.351 210 Y C 0.158 176.036 175.900 -0.037 0.000 1.272 210 Y CA 1.137 59.225 58.100 -0.020 0.000 1.508 210 Y CB 0.697 39.149 38.460 -0.014 0.000 1.369 210 Y HN 0.820 nan 8.280 nan 0.000 0.639 211 T N 0.220 114.311 114.554 -0.771 0.000 2.804 211 T HA 0.511 4.860 4.350 -0.000 0.000 0.290 211 T C -0.453 173.827 174.700 -0.700 0.000 1.099 211 T CA -0.874 60.876 62.100 -0.584 0.000 1.011 211 T CB 1.149 69.769 68.868 -0.414 0.000 1.291 211 T HN 0.352 nan 8.240 nan 0.000 0.523 212 L N 0.063 121.085 121.223 -0.334 0.000 2.910 212 L HA 0.461 4.801 4.340 -0.000 0.000 0.252 212 L C 0.276 177.070 176.870 -0.127 0.000 1.195 212 L CA -0.105 54.617 54.840 -0.195 0.000 1.003 212 L CB -0.373 41.657 42.059 -0.049 0.000 1.328 212 L HN 0.563 nan 8.230 nan 0.000 0.540 213 I N 0.496 120.966 120.570 -0.166 0.000 2.680 213 I HA -0.086 4.083 4.170 -0.000 0.000 0.286 213 I C 0.938 177.015 176.117 -0.067 0.000 1.144 213 I CA 0.414 61.662 61.300 -0.088 0.000 1.370 213 I CB 0.271 38.213 38.000 -0.096 0.000 1.420 213 I HN 0.151 nan 8.210 nan 0.000 0.540 214 S N 6.657 122.340 115.700 -0.029 0.000 2.422 214 S HA 0.276 4.746 4.470 -0.000 0.000 0.283 214 S C 1.199 175.798 174.600 -0.002 0.000 1.163 214 S CA -0.576 57.615 58.200 -0.016 0.000 1.054 214 S CB 0.385 63.581 63.200 -0.007 0.000 0.967 214 S HN 0.530 nan 8.310 nan 0.000 0.499 215 I N 4.988 125.553 120.570 -0.009 0.000 2.315 215 I HA -0.127 4.042 4.170 -0.000 0.000 0.248 215 I C 2.558 178.661 176.117 -0.023 0.000 1.117 215 I CA 0.993 62.297 61.300 0.007 0.000 1.404 215 I CB -0.136 37.853 38.000 -0.018 0.000 1.071 215 I HN 0.678 nan 8.210 nan 0.000 0.419 216 K N 0.898 121.240 120.400 -0.096 0.000 2.152 216 K HA -0.231 4.089 4.320 -0.000 0.000 0.206 216 K C 2.094 178.704 176.600 0.018 0.000 1.048 216 K CA 1.535 57.753 56.287 -0.115 0.000 0.933 216 K CB -0.052 32.389 32.500 -0.098 0.000 0.721 216 K HN 0.351 nan 8.250 nan 0.000 0.447 217 A N 0.380 123.218 122.820 0.031 0.000 1.854 217 A HA -0.081 4.239 4.320 -0.000 0.000 0.214 217 A C 2.185 179.819 177.584 0.084 0.000 1.192 217 A CA 1.314 53.379 52.037 0.046 0.000 0.611 217 A CB -0.625 18.389 19.000 0.023 0.000 0.832 217 A HN 0.117 nan 8.150 nan 0.000 0.442 218 V N -0.659 119.317 119.914 0.104 0.000 2.277 218 V HA -0.341 3.779 4.120 -0.000 0.000 0.253 218 V C 2.294 178.498 176.094 0.183 0.000 1.067 218 V CA 2.454 64.831 62.300 0.129 0.000 1.047 218 V CB -1.168 30.741 31.823 0.145 0.000 0.649 218 V HN 0.501 nan 8.190 nan 0.000 0.447 219 F N -0.091 119.858 119.950 -0.002 0.000 2.015 219 F HA -0.236 4.291 4.527 -0.001 0.000 0.297 219 F C 2.292 178.084 175.800 -0.013 0.000 1.141 219 F CA 1.939 59.937 58.000 -0.003 0.000 1.192 219 F CB -0.829 38.169 39.000 -0.003 0.000 0.957 219 F HN 0.025 nan 8.300 nan 0.000 0.491 220 I N -0.382 120.306 120.570 0.196 0.000 2.145 220 I HA -0.363 3.807 4.170 -0.000 0.000 0.244 220 I C 2.678 178.804 176.117 0.015 0.000 1.075 220 I CA 1.681 63.024 61.300 0.072 0.000 1.332 220 I CB -1.345 36.675 38.000 0.034 0.000 1.033 220 I HN 0.285 nan 8.210 nan 0.000 0.410 221 G N 0.384 109.194 108.800 0.018 0.000 2.433 221 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.216 221 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.216 221 G C 1.703 176.590 174.900 -0.021 0.000 1.186 221 G CA 0.980 46.072 45.100 -0.012 0.000 0.779 221 G HN 0.251 nan 8.290 nan 0.000 0.543 222 V N 1.265 121.166 119.914 -0.022 0.000 2.295 222 V HA -0.188 3.932 4.120 -0.000 0.000 0.246 222 V C 2.820 178.875 176.094 -0.065 0.000 1.049 222 V CA 1.732 63.999 62.300 -0.056 0.000 1.024 222 V CB -0.477 31.288 31.823 -0.097 0.000 0.648 222 V HN 0.408 nan 8.190 nan 0.000 0.447 223 I N -0.836 119.693 120.570 -0.068 0.000 2.068 223 I HA -0.348 3.822 4.170 -0.000 0.000 0.238 223 I C 2.644 178.744 176.117 -0.028 0.000 1.046 223 I CA 1.788 63.057 61.300 -0.052 0.000 1.306 223 I CB -0.507 37.477 38.000 -0.027 0.000 1.023 223 I HN 0.244 nan 8.210 nan 0.000 0.399 224 M N 0.098 119.681 119.600 -0.029 0.000 2.082 224 M HA -0.238 4.242 4.480 -0.000 0.000 0.258 224 M C 2.613 178.907 176.300 -0.010 0.000 1.069 224 M CA 1.991 57.274 55.300 -0.028 0.000 1.102 224 M CB -1.674 30.896 32.600 -0.050 0.000 1.336 224 M HN 0.347 nan 8.290 nan 0.000 0.404 225 S N -0.338 115.353 115.700 -0.015 0.000 2.353 225 S HA -0.148 4.322 4.470 -0.000 0.000 0.222 225 S C 1.959 176.581 174.600 0.038 0.000 1.035 225 S CA 2.168 60.367 58.200 -0.002 0.000 1.025 225 S CB -0.280 62.905 63.200 -0.026 0.000 0.902 225 S HN 0.540 nan 8.310 nan 0.000 0.440 226 T N 2.545 117.112 114.554 0.021 0.000 2.720 226 T HA -0.032 4.318 4.350 -0.000 0.000 0.268 226 T C 1.731 176.496 174.700 0.108 0.000 1.037 226 T CA 1.652 63.786 62.100 0.056 0.000 1.144 226 T CB -0.486 68.383 68.868 0.002 0.000 0.864 226 T HN 0.417 nan 8.240 nan 0.000 0.444 227 I N 0.833 121.436 120.570 0.054 0.000 2.091 227 I HA -0.242 3.927 4.170 -0.000 0.000 0.239 227 I C 2.602 178.764 176.117 0.076 0.000 1.061 227 I CA 1.196 62.520 61.300 0.042 0.000 1.317 227 I CB -0.399 37.607 38.000 0.010 0.000 1.031 227 I HN 0.185 nan 8.210 nan 0.000 0.401 228 M N -0.400 119.256 119.600 0.093 0.000 2.108 228 M HA -0.292 4.188 4.480 -0.000 0.000 0.257 228 M C 2.466 178.886 176.300 0.200 0.000 1.071 228 M CA 2.009 57.394 55.300 0.143 0.000 1.093 228 M CB -1.494 31.150 32.600 0.075 0.000 1.345 228 M HN 0.321 nan 8.290 nan 0.000 0.403 229 Y N 0.800 121.131 120.300 0.052 0.000 2.181 229 Y HA -0.172 4.377 4.550 -0.001 0.000 0.288 229 Y C 2.368 178.335 175.900 0.111 0.000 1.146 229 Y CA 1.793 59.928 58.100 0.059 0.000 1.164 229 Y CB -0.179 38.293 38.460 0.019 0.000 0.982 229 Y HN 0.154 nan 8.280 nan 0.000 0.515 230 R N -0.445 120.103 120.500 0.079 0.000 2.193 230 R HA -0.038 4.301 4.340 -0.000 0.000 0.213 230 R C 1.889 177.989 176.300 -0.333 0.000 1.055 230 R CA 0.759 56.815 56.100 -0.074 0.000 0.995 230 R CB -0.067 30.251 30.300 0.030 0.000 0.893 230 R HN 0.343 nan 8.270 nan 0.000 0.459 231 I N 0.201 120.677 120.570 -0.156 0.000 2.335 231 I HA -0.231 3.939 4.170 -0.000 0.000 0.251 231 I C 1.392 177.256 176.117 -0.422 0.000 1.129 231 I CA 1.743 62.864 61.300 -0.300 0.000 1.402 231 I CB -0.629 37.287 38.000 -0.139 0.000 1.069 231 I HN 0.016 nan 8.210 nan 0.000 0.424 232 F N 0.622 120.441 119.950 -0.218 0.000 2.432 232 F HA 0.200 4.727 4.527 -0.000 0.000 0.247 232 F C 1.248 176.975 175.800 -0.121 0.000 0.972 232 F CA -0.362 57.559 58.000 -0.132 0.000 1.083 232 F CB -0.996 37.933 39.000 -0.117 0.000 1.285 232 F HN -0.102 nan 8.300 nan 0.000 0.693 233 N N 1.902 120.535 118.700 -0.112 0.000 2.605 233 N HA 0.055 4.795 4.740 -0.000 0.000 0.282 233 N C -0.710 174.646 175.510 -0.256 0.000 1.206 233 N CA 0.250 53.140 53.050 -0.267 0.000 1.074 233 N CB -0.860 37.343 38.487 -0.473 0.000 1.434 233 N HN 0.710 nan 8.380 nan 0.000 0.506 234 H N -1.696 117.269 119.070 -0.175 0.000 3.048 234 H HA 0.399 4.955 4.556 -0.001 0.000 0.296 234 H C 0.115 175.422 175.328 -0.035 0.000 1.508 234 H CA -0.699 55.299 56.048 -0.083 0.000 1.250 234 H CB 1.069 30.794 29.762 -0.062 0.000 1.896 234 H HN -0.038 nan 8.280 nan 0.000 0.604 235 E N -1.807 118.189 120.200 -0.340 0.000 3.760 235 E HA -0.176 4.174 4.350 -0.000 0.000 0.317 235 E C -0.589 175.936 176.600 -0.125 0.000 0.730 235 E CA 1.314 57.527 56.400 -0.311 0.000 1.106 235 E CB -1.675 27.737 29.700 -0.479 0.000 1.574 235 E HN 0.372 nan 8.360 nan 0.000 0.451 236 V N -0.484 119.393 119.914 -0.061 0.000 2.789 236 V HA 0.795 4.915 4.120 -0.000 0.000 0.311 236 V C 0.206 176.320 176.094 0.033 0.000 1.073 236 V CA -0.454 61.838 62.300 -0.013 0.000 0.921 236 V CB 2.080 33.898 31.823 -0.007 0.000 1.009 236 V HN 0.264 nan 8.190 nan 0.000 0.426 237 A N 2.758 125.593 122.820 0.025 0.000 2.295 237 A HA 0.789 5.109 4.320 -0.000 0.000 0.318 237 A C 0.756 178.347 177.584 0.011 0.000 1.134 237 A CA -0.586 51.468 52.037 0.029 0.000 0.827 237 A CB 0.781 19.782 19.000 0.002 0.000 1.136 237 A HN 0.900 nan 8.150 nan 0.000 0.493 238 L N 0.625 121.833 121.223 -0.024 0.000 2.072 238 L HA 0.077 4.417 4.340 -0.000 0.000 0.205 238 L C 0.010 176.763 176.870 -0.196 0.000 1.079 238 L CA 1.177 55.947 54.840 -0.117 0.000 0.752 238 L CB -0.346 41.555 42.059 -0.263 0.000 0.906 238 L HN 0.553 nan 8.230 nan 0.000 0.436 239 I N -0.528 119.928 120.570 -0.190 0.000 2.418 239 I HA 0.239 4.409 4.170 -0.000 0.000 0.287 239 I C -1.026 175.051 176.117 -0.065 0.000 1.008 239 I CA -0.500 60.721 61.300 -0.132 0.000 1.104 239 I CB 2.023 39.925 38.000 -0.163 0.000 1.264 239 I HN -0.144 nan 8.210 nan 0.000 0.438 240 D N 5.257 125.637 120.400 -0.034 0.000 2.308 240 D HA 0.419 5.059 4.640 -0.000 0.000 0.242 240 D C 0.006 176.296 176.300 -0.016 0.000 1.059 240 D CA -0.154 53.834 54.000 -0.022 0.000 0.830 240 D CB 2.565 43.357 40.800 -0.013 0.000 1.161 240 D HN 0.237 nan 8.370 nan 0.000 0.494 241 V N 2.198 122.102 119.914 -0.017 0.000 3.485 241 V HA 0.323 4.443 4.120 -0.000 0.000 0.280 241 V C 0.998 177.085 176.094 -0.013 0.000 1.495 241 V CA 0.544 62.837 62.300 -0.013 0.000 1.018 241 V CB 0.042 31.857 31.823 -0.014 0.000 0.818 241 V HN 0.900 nan 8.190 nan 0.000 0.436 242 G N 1.592 110.384 108.800 -0.013 0.000 2.877 242 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.279 242 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.279 242 G C -0.357 174.536 174.900 -0.012 0.000 1.431 242 G CA 0.065 45.158 45.100 -0.012 0.000 0.883 242 G HN 0.401 nan 8.290 nan 0.000 0.547 243 K N 0.669 121.062 120.400 -0.011 0.000 2.262 243 K HA 0.464 4.784 4.320 -0.000 0.000 0.288 243 K C 1.221 177.811 176.600 -0.016 0.000 1.090 243 K CA -0.525 55.754 56.287 -0.013 0.000 0.918 243 K CB -0.057 32.437 32.500 -0.009 0.000 1.139 243 K HN 0.448 nan 8.250 nan 0.000 0.462 244 L N 2.280 123.490 121.223 -0.022 0.000 2.461 244 L HA 0.048 4.387 4.340 -0.000 0.000 0.259 244 L C 1.055 177.907 176.870 -0.031 0.000 1.248 244 L CA 0.500 55.325 54.840 -0.025 0.000 0.823 244 L CB 0.424 42.462 42.059 -0.036 0.000 1.111 244 L HN 0.917 nan 8.230 nan 0.000 0.516 245 S N -0.000 115.683 115.700 -0.029 0.000 2.625 245 S HA 0.168 4.638 4.470 -0.000 0.000 0.262 245 S C -0.236 174.329 174.600 -0.059 0.000 1.223 245 S CA -0.702 57.480 58.200 -0.030 0.000 0.993 245 S CB 0.931 64.127 63.200 -0.006 0.000 1.051 245 S HN 0.526 nan 8.310 nan 0.000 0.562 246 D N -0.051 120.314 120.400 -0.058 0.000 2.478 246 D HA 0.685 5.325 4.640 -0.000 0.000 0.263 246 D C -0.717 175.522 176.300 -0.102 0.000 1.153 246 D CA -0.170 53.776 54.000 -0.089 0.000 1.038 246 D CB 1.012 41.767 40.800 -0.075 0.000 1.120 246 D HN 0.818 nan 8.370 nan 0.000 0.564 247 A N 0.950 123.687 122.820 -0.138 0.000 2.483 247 A HA 0.550 4.870 4.320 -0.000 0.000 0.308 247 A C -2.488 175.025 177.584 -0.118 0.000 1.291 247 A CA -1.251 50.696 52.037 -0.149 0.000 0.774 247 A CB 0.263 19.093 19.000 -0.284 0.000 1.134 247 A HN 0.271 nan 8.150 nan 0.000 0.471 248 P HA 0.146 nan 4.420 nan 0.000 0.268 248 P C 1.154 178.413 177.300 -0.069 0.000 1.205 248 P CA -0.314 62.751 63.100 -0.058 0.000 0.771 248 P CB 0.613 32.296 31.700 -0.028 0.000 0.858 249 L N 1.703 122.896 121.223 -0.050 0.000 2.051 249 L HA -0.244 4.096 4.340 -0.000 0.000 0.214 249 L C 1.892 178.755 176.870 -0.012 0.000 1.076 249 L CA 1.811 56.631 54.840 -0.033 0.000 0.758 249 L CB -0.992 41.055 42.059 -0.019 0.000 0.890 249 L HN 0.535 nan 8.230 nan 0.000 0.433 250 N N -1.340 117.348 118.700 -0.021 0.000 2.626 250 N HA -0.138 4.601 4.740 -0.000 0.000 0.193 250 N C 1.179 176.587 175.510 -0.169 0.000 1.213 250 N CA 1.150 54.192 53.050 -0.012 0.000 0.914 250 N CB -0.222 38.297 38.487 0.053 0.000 0.994 250 N HN 0.161 nan 8.380 nan 0.000 0.447 251 T N -0.194 114.244 114.554 -0.194 0.000 2.955 251 T HA 0.330 4.680 4.350 -0.000 0.000 0.251 251 T C 1.622 176.269 174.700 -0.088 0.000 1.002 251 T CA -0.369 61.512 62.100 -0.364 0.000 0.970 251 T CB 0.174 68.882 68.868 -0.268 0.000 1.091 251 T HN 0.066 nan 8.240 nan 0.000 0.495 252 L N 1.483 122.750 121.223 0.074 0.000 2.081 252 L HA -0.120 4.220 4.340 -0.000 0.000 0.212 252 L C 2.731 179.732 176.870 0.217 0.000 1.080 252 L CA 1.609 56.547 54.840 0.162 0.000 0.754 252 L CB -0.597 41.501 42.059 0.065 0.000 0.893 252 L HN 0.589 nan 8.230 nan 0.000 0.433 253 W N 0.417 121.754 121.300 0.062 0.000 2.325 253 W HA -0.212 4.448 4.660 -0.001 0.000 0.299 253 W C 1.755 178.336 176.519 0.104 0.000 1.215 253 W CA 0.706 58.089 57.345 0.063 0.000 1.244 253 W CB -1.335 28.138 29.460 0.021 0.000 1.140 253 W HN 0.161 nan 8.180 nan 0.000 0.523 254 L N -0.159 120.616 121.223 -0.748 0.000 2.265 254 L HA -0.230 4.109 4.340 -0.000 0.000 0.215 254 L C 2.526 179.277 176.870 -0.198 0.000 1.117 254 L CA 1.498 55.953 54.840 -0.642 0.000 0.782 254 L CB -0.833 40.768 42.059 -0.764 0.000 0.914 254 L HN -0.107 nan 8.230 nan 0.000 0.441 255 Y N -1.321 118.977 120.300 -0.003 0.000 2.365 255 Y HA -0.160 4.390 4.550 -0.000 0.000 0.293 255 Y C 2.174 178.042 175.900 -0.053 0.000 1.119 255 Y CA 0.530 58.630 58.100 0.001 0.000 1.203 255 Y CB -0.131 38.315 38.460 -0.024 0.000 1.026 255 Y HN 0.046 nan 8.280 nan 0.000 0.549 256 L N 0.040 121.342 121.223 0.131 0.000 2.093 256 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 256 L C 1.974 178.877 176.870 0.055 0.000 1.085 256 L CA 1.520 56.418 54.840 0.096 0.000 0.755 256 L CB -0.656 41.488 42.059 0.140 0.000 0.904 256 L HN 0.203 nan 8.230 nan 0.000 0.435 257 I N -1.112 119.486 120.570 0.046 0.000 2.099 257 I HA -0.314 3.856 4.170 -0.000 0.000 0.239 257 I C 2.385 178.397 176.117 -0.174 0.000 1.066 257 I CA 1.465 62.779 61.300 0.023 0.000 1.324 257 I CB -0.381 37.705 38.000 0.142 0.000 1.037 257 I HN 0.334 nan 8.210 nan 0.000 0.401 258 L N 1.186 122.095 121.223 -0.524 0.000 2.043 258 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 258 L C 2.295 179.078 176.870 -0.144 0.000 1.075 258 L CA 2.374 56.774 54.840 -0.734 0.000 0.752 258 L CB -1.320 40.161 42.059 -0.962 0.000 0.891 258 L HN 0.254 nan 8.230 nan 0.000 0.432 259 G N -0.332 108.430 108.800 -0.062 0.000 2.459 259 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.217 259 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.217 259 G C 1.652 176.591 174.900 0.065 0.000 1.183 259 G CA 1.245 46.358 45.100 0.023 0.000 0.776 259 G HN 0.493 nan 8.290 nan 0.000 0.552 260 I N 0.684 121.274 120.570 0.034 0.000 2.151 260 I HA -0.228 3.942 4.170 -0.000 0.000 0.243 260 I C 2.723 178.867 176.117 0.045 0.000 1.080 260 I CA 0.986 62.317 61.300 0.052 0.000 1.339 260 I CB -0.217 37.820 38.000 0.061 0.000 1.039 260 I HN 0.180 nan 8.210 nan 0.000 0.409 261 I N -0.146 120.421 120.570 -0.007 0.000 2.127 261 I HA -0.338 3.831 4.170 -0.000 0.000 0.241 261 I C 2.394 178.476 176.117 -0.058 0.000 1.075 261 I CA 1.809 63.069 61.300 -0.067 0.000 1.334 261 I CB -0.450 37.434 38.000 -0.195 0.000 1.040 261 I HN 0.089 nan 8.210 nan 0.000 0.405 262 F N 0.862 120.768 119.950 -0.073 0.000 2.216 262 F HA -0.132 4.395 4.527 -0.000 0.000 0.300 262 F C 2.487 178.299 175.800 0.020 0.000 1.085 262 F CA 1.455 59.444 58.000 -0.019 0.000 1.326 262 F CB -0.834 38.120 39.000 -0.078 0.000 1.027 262 F HN 0.042 nan 8.300 nan 0.000 0.497 263 G N 0.414 109.315 108.800 0.168 0.000 2.408 263 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.217 263 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.217 263 G C 1.584 176.525 174.900 0.068 0.000 1.150 263 G CA 1.128 46.281 45.100 0.088 0.000 0.776 263 G HN 0.485 nan 8.290 nan 0.000 0.542 264 I N -2.918 117.698 120.570 0.077 0.000 2.480 264 I HA 0.290 4.459 4.170 -0.000 0.000 0.251 264 I C 2.317 178.464 176.117 0.050 0.000 1.124 264 I CA 0.737 62.073 61.300 0.060 0.000 1.444 264 I CB -0.370 37.669 38.000 0.065 0.000 1.098 264 I HN 0.014 nan 8.210 nan 0.000 0.428 265 F N 2.383 122.284 119.950 -0.082 0.000 2.259 265 F HA 0.199 4.725 4.527 -0.000 0.000 0.298 265 F C 2.329 178.067 175.800 -0.103 0.000 1.088 265 F CA 1.155 59.080 58.000 -0.125 0.000 1.358 265 F CB -0.710 38.189 39.000 -0.170 0.000 1.040 265 F HN 0.137 nan 8.300 nan 0.000 0.505 266 G N 1.201 110.012 108.800 0.018 0.000 2.574 266 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.220 266 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.220 266 G C -0.752 174.064 174.900 -0.139 0.000 1.173 266 G CA 1.200 46.282 45.100 -0.030 0.000 0.772 266 G HN 0.326 nan 8.290 nan 0.000 0.585 267 P HA 0.057 nan 4.420 nan 0.000 0.218 267 P C 2.020 179.136 177.300 -0.306 0.000 1.152 267 P CA 0.522 63.525 63.100 -0.161 0.000 0.826 267 P CB -0.067 31.575 31.700 -0.097 0.000 0.790 268 I N -1.606 118.695 120.570 -0.449 0.000 2.194 268 I HA -0.284 3.886 4.170 -0.000 0.000 0.246 268 I C 2.290 177.667 176.117 -1.233 0.000 1.093 268 I CA 1.650 62.488 61.300 -0.769 0.000 1.355 268 I CB -0.581 36.944 38.000 -0.792 0.000 1.046 268 I HN -0.131 nan 8.210 nan 0.000 0.413 269 F N 1.656 120.840 119.950 -1.277 0.000 2.146 269 F HA -0.176 4.351 4.527 -0.000 0.000 0.298 269 F C 2.230 177.760 175.800 -0.450 0.000 1.096 269 F CA 1.704 59.122 58.000 -0.970 0.000 1.275 269 F CB -0.531 37.996 39.000 -0.788 0.000 1.008 269 F HN 0.055 nan 8.300 nan 0.000 0.480 270 N N 0.067 118.607 118.700 -0.266 0.000 2.149 270 N HA -0.221 4.519 4.740 -0.000 0.000 0.188 270 N C 1.729 177.137 175.510 -0.170 0.000 1.019 270 N CA 1.236 54.183 53.050 -0.172 0.000 0.857 270 N CB -0.074 38.360 38.487 -0.088 0.000 0.997 270 N HN 0.336 nan 8.380 nan 0.000 0.426 271 K N 0.223 120.493 120.400 -0.217 0.000 1.985 271 K HA -0.143 4.176 4.320 -0.000 0.000 0.210 271 K C 1.869 178.499 176.600 0.051 0.000 1.047 271 K CA 1.334 57.572 56.287 -0.081 0.000 0.932 271 K CB -0.118 32.337 32.500 -0.075 0.000 0.716 271 K HN 0.242 nan 8.250 nan 0.000 0.439 272 W N 0.395 121.565 121.300 -0.216 0.000 2.335 272 W HA -0.150 4.510 4.660 -0.000 0.000 0.311 272 W C 2.176 178.545 176.519 -0.250 0.000 1.213 272 W CA 0.239 57.445 57.345 -0.232 0.000 1.274 272 W CB -1.422 27.873 29.460 -0.274 0.000 1.148 272 W HN -0.030 nan 8.180 nan 0.000 0.498 273 V N 1.146 120.966 119.914 -0.157 0.000 2.252 273 V HA -0.316 3.803 4.120 -0.000 0.000 0.249 273 V C 2.180 178.291 176.094 0.029 0.000 1.056 273 V CA 2.153 64.398 62.300 -0.091 0.000 1.022 273 V CB -0.701 31.045 31.823 -0.128 0.000 0.641 273 V HN 0.122 nan 8.190 nan 0.000 0.445 274 L N 0.323 121.559 121.223 0.021 0.000 1.961 274 L HA -0.040 4.300 4.340 -0.000 0.000 0.210 274 L C 2.795 179.682 176.870 0.028 0.000 1.072 274 L CA 1.973 56.836 54.840 0.037 0.000 0.749 274 L CB -1.492 40.585 42.059 0.030 0.000 0.889 274 L HN 0.476 nan 8.230 nan 0.000 0.432 275 G N -0.621 108.202 108.800 0.037 0.000 2.475 275 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.220 275 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.220 275 G C 1.535 176.433 174.900 -0.003 0.000 1.125 275 G CA 0.972 46.087 45.100 0.025 0.000 0.755 275 G HN 0.162 nan 8.290 nan 0.000 0.565 276 M N 0.270 119.872 119.600 0.003 0.000 2.254 276 M HA 0.112 4.592 4.480 -0.000 0.000 0.265 276 M C 2.575 178.864 176.300 -0.018 0.000 1.066 276 M CA 1.054 56.342 55.300 -0.019 0.000 1.123 276 M CB -0.442 32.153 32.600 -0.007 0.000 1.388 276 M HN 0.319 nan 8.290 nan 0.000 0.425 277 Q N -0.152 119.648 119.800 -0.000 0.000 2.096 277 Q HA -0.207 4.133 4.340 -0.000 0.000 0.204 277 Q C 1.559 177.547 176.000 -0.021 0.000 0.982 277 Q CA 1.679 57.481 55.803 -0.002 0.000 0.850 277 Q CB -0.237 28.506 28.738 0.007 0.000 0.901 277 Q HN 0.507 nan 8.270 nan 0.000 0.422 278 D N 0.701 121.083 120.400 -0.030 0.000 2.075 278 D HA -0.159 4.481 4.640 -0.000 0.000 0.196 278 D C 1.909 178.177 176.300 -0.053 0.000 0.985 278 D CA 0.801 54.777 54.000 -0.041 0.000 0.834 278 D CB -0.403 40.375 40.800 -0.036 0.000 0.987 278 D HN 0.148 nan 8.370 nan 0.000 0.452 279 L N 0.535 121.719 121.223 -0.065 0.000 2.081 279 L HA -0.168 4.171 4.340 -0.000 0.000 0.212 279 L C 2.219 179.003 176.870 -0.143 0.000 1.080 279 L CA 1.102 55.888 54.840 -0.091 0.000 0.754 279 L CB -0.095 41.913 42.059 -0.084 0.000 0.893 279 L HN 0.015 nan 8.230 nan 0.000 0.433 280 L N -1.487 119.643 121.223 -0.154 0.000 2.313 280 L HA -0.160 4.180 4.340 -0.000 0.000 0.214 280 L C 2.336 178.863 176.870 -0.572 0.000 1.119 280 L CA 0.585 55.273 54.840 -0.254 0.000 0.809 280 L CB -0.519 41.455 42.059 -0.142 0.000 0.933 280 L HN 0.368 nan 8.230 nan 0.000 0.449 281 H N 0.531 119.279 119.070 -0.538 0.000 2.326 281 H HA -0.094 4.461 4.556 -0.000 0.000 0.301 281 H C 2.394 177.307 175.328 -0.693 0.000 1.081 281 H CA 1.635 57.257 56.048 -0.711 0.000 1.334 281 H CB 0.224 29.813 29.762 -0.290 0.000 1.385 281 H HN 0.063 nan 8.280 nan 0.000 0.504 282 R N -0.291 120.019 120.500 -0.316 0.000 2.115 282 R HA -0.172 4.167 4.340 -0.000 0.000 0.239 282 R C 2.335 178.431 176.300 -0.340 0.000 1.133 282 R CA 1.812 57.763 56.100 -0.249 0.000 0.935 282 R CB -0.945 29.270 30.300 -0.142 0.000 0.853 282 R HN 0.206 nan 8.270 nan 0.000 0.433 283 V N 1.271 120.958 119.914 -0.380 0.000 2.357 283 V HA -0.294 3.825 4.120 -0.000 0.000 0.257 283 V C 1.970 177.901 176.094 -0.272 0.000 1.082 283 V CA 2.517 64.635 62.300 -0.303 0.000 1.078 283 V CB -0.830 30.830 31.823 -0.271 0.000 0.663 283 V HN 0.625 nan 8.190 nan 0.000 0.455 284 H N -2.259 116.641 119.070 -0.284 0.000 2.874 284 H HA 0.486 5.042 4.556 -0.000 0.000 0.264 284 H C 1.657 176.847 175.328 -0.229 0.000 1.007 284 H CA 0.493 56.398 56.048 -0.239 0.000 1.207 284 H CB 0.039 29.643 29.762 -0.263 0.000 1.487 284 H HN 0.294 nan 8.280 nan 0.000 0.505 285 G N 0.200 108.818 108.800 -0.302 0.000 2.257 285 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.267 285 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.267 285 G C 1.407 176.213 174.900 -0.157 0.000 0.984 285 G CA 1.084 46.066 45.100 -0.195 0.000 0.626 285 G HN 1.604 nan 8.290 nan 0.000 0.540 286 G N -0.895 107.891 108.800 -0.023 0.000 2.192 286 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.193 286 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.193 286 G C 0.004 175.084 174.900 0.301 0.000 0.999 286 G CA 0.648 45.889 45.100 0.235 0.000 0.659 286 G HN 1.712 nan 8.290 nan 0.000 0.503 287 N N 1.106 119.932 118.700 0.211 0.000 2.427 287 N HA 0.313 5.053 4.740 -0.000 0.000 0.269 287 N C 1.593 177.221 175.510 0.197 0.000 1.235 287 N CA 0.298 53.446 53.050 0.163 0.000 0.934 287 N CB 0.365 38.918 38.487 0.110 0.000 1.121 287 N HN 0.480 nan 8.380 nan 0.000 0.480 288 I N 2.248 122.896 120.570 0.130 0.000 2.953 288 I HA -0.203 3.967 4.170 -0.000 0.000 0.271 288 I C 0.525 176.717 176.117 0.125 0.000 1.286 288 I CA 1.201 62.552 61.300 0.086 0.000 1.449 288 I CB 0.020 38.017 38.000 -0.005 0.000 1.086 288 I HN 0.532 nan 8.210 nan 0.000 0.483 289 T N 0.254 114.880 114.554 0.120 0.000 3.045 289 T HA 0.042 4.392 4.350 -0.000 0.000 0.239 289 T C 1.713 176.476 174.700 0.105 0.000 1.008 289 T CA 0.600 62.758 62.100 0.096 0.000 1.143 289 T CB 0.094 68.998 68.868 0.060 0.000 0.894 289 T HN 0.303 nan 8.240 nan 0.000 0.451 290 K N 0.428 120.899 120.400 0.117 0.000 2.147 290 K HA -0.080 4.239 4.320 -0.000 0.000 0.205 290 K C 1.992 178.687 176.600 0.159 0.000 1.049 290 K CA 0.900 57.255 56.287 0.114 0.000 0.936 290 K CB -0.010 32.552 32.500 0.103 0.000 0.722 290 K HN 0.305 nan 8.250 nan 0.000 0.446 291 W N 1.475 122.747 121.300 -0.048 0.000 2.381 291 W HA -0.171 4.489 4.660 -0.001 0.000 0.323 291 W C 1.805 178.223 176.519 -0.168 0.000 1.194 291 W CA 1.045 58.257 57.345 -0.222 0.000 1.296 291 W CB -0.768 28.420 29.460 -0.454 0.000 1.175 291 W HN -0.228 nan 8.180 nan 0.000 0.465 292 V N 1.428 121.482 119.914 0.233 0.000 2.453 292 V HA -0.328 3.792 4.120 -0.000 0.000 0.252 292 V C 2.475 178.573 176.094 0.006 0.000 1.068 292 V CA 1.847 64.216 62.300 0.115 0.000 1.070 292 V CB -1.128 30.791 31.823 0.161 0.000 0.664 292 V HN 0.159 nan 8.190 nan 0.000 0.461 293 L N -1.243 120.000 121.223 0.033 0.000 2.044 293 L HA -0.167 4.172 4.340 -0.000 0.000 0.205 293 L C 2.507 179.360 176.870 -0.029 0.000 1.075 293 L CA 1.890 56.738 54.840 0.013 0.000 0.747 293 L CB -0.438 41.641 42.059 0.034 0.000 0.903 293 L HN 0.323 nan 8.230 nan 0.000 0.435 294 M N -0.317 119.265 119.600 -0.029 0.000 2.213 294 M HA -0.150 4.330 4.480 -0.000 0.000 0.263 294 M C 2.025 178.206 176.300 -0.198 0.000 1.062 294 M CA 1.968 57.233 55.300 -0.060 0.000 1.105 294 M CB -0.512 32.080 32.600 -0.014 0.000 1.385 294 M HN 0.315 nan 8.290 nan 0.000 0.417 295 G N -0.252 108.263 108.800 -0.475 0.000 2.511 295 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.216 295 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.216 295 G C 1.366 175.977 174.900 -0.482 0.000 1.218 295 G CA 0.919 45.288 45.100 -1.219 0.000 0.788 295 G HN 0.590 nan 8.290 nan 0.000 0.560 296 G N 0.801 109.454 108.800 -0.245 0.000 2.516 296 G HA2 0.064 4.023 3.960 -0.000 0.000 0.221 296 G HA3 0.064 4.023 3.960 -0.000 0.000 0.221 296 G C 1.862 176.712 174.900 -0.084 0.000 1.107 296 G CA 1.527 46.587 45.100 -0.066 0.000 0.747 296 G HN 0.714 nan 8.290 nan 0.000 0.567 297 A N 0.699 123.483 122.820 -0.059 0.000 1.872 297 A HA 0.142 4.462 4.320 -0.000 0.000 0.214 297 A C 2.349 179.865 177.584 -0.112 0.000 1.187 297 A CA 1.139 53.182 52.037 0.011 0.000 0.614 297 A CB -0.228 18.810 19.000 0.063 0.000 0.826 297 A HN 0.358 nan 8.150 nan 0.000 0.442 298 I N -0.238 120.282 120.570 -0.083 0.000 2.233 298 I HA -0.117 4.053 4.170 -0.000 0.000 0.243 298 I C 2.735 178.805 176.117 -0.079 0.000 1.093 298 I CA 1.078 62.352 61.300 -0.045 0.000 1.380 298 I CB -0.794 37.230 38.000 0.039 0.000 1.067 298 I HN 0.349 nan 8.210 nan 0.000 0.413 299 G N 0.759 109.530 108.800 -0.049 0.000 2.469 299 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.220 299 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.220 299 G C 1.724 176.498 174.900 -0.211 0.000 1.136 299 G CA 0.980 46.060 45.100 -0.034 0.000 0.759 299 G HN 0.512 nan 8.290 nan 0.000 0.562 300 G N 0.870 109.371 108.800 -0.499 0.000 2.404 300 G HA2 -0.120 3.839 3.960 -0.000 0.000 0.215 300 G HA3 -0.120 3.839 3.960 -0.000 0.000 0.215 300 G C 1.754 176.068 174.900 -0.976 0.000 1.174 300 G CA 1.017 45.416 45.100 -1.170 0.000 0.780 300 G HN 0.472 nan 8.290 nan 0.000 0.537 301 L N 0.672 121.523 121.223 -0.619 0.000 2.081 301 L HA -0.096 4.244 4.340 -0.000 0.000 0.212 301 L C 2.704 179.531 176.870 -0.071 0.000 1.080 301 L CA 1.706 56.446 54.840 -0.167 0.000 0.754 301 L CB -0.874 41.164 42.059 -0.036 0.000 0.893 301 L HN 0.252 nan 8.230 nan 0.000 0.433 302 C N 0.099 119.350 119.300 -0.081 0.000 2.442 302 C HA -0.052 4.408 4.460 -0.000 0.000 0.279 302 C C 2.802 177.802 174.990 0.016 0.000 1.237 302 C CA 0.861 59.876 59.018 -0.005 0.000 1.722 302 C CB -1.887 25.861 27.740 0.014 0.000 2.056 302 C HN 0.762 nan 8.230 nan 0.000 0.469 303 G N -0.277 108.512 108.800 -0.018 0.000 2.448 303 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.219 303 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.219 303 G C 1.592 176.536 174.900 0.074 0.000 1.127 303 G CA 0.787 45.902 45.100 0.026 0.000 0.766 303 G HN 0.560 nan 8.290 nan 0.000 0.552 304 L N -0.247 121.015 121.223 0.064 0.000 2.007 304 L HA 0.173 4.513 4.340 -0.000 0.000 0.205 304 L C 2.782 179.765 176.870 0.188 0.000 1.073 304 L CA 0.848 55.772 54.840 0.141 0.000 0.744 304 L CB -0.183 41.992 42.059 0.193 0.000 0.898 304 L HN 0.149 nan 8.230 nan 0.000 0.435 305 L N -0.244 121.065 121.223 0.143 0.000 2.127 305 L HA -0.162 4.178 4.340 -0.000 0.000 0.211 305 L C 2.259 179.223 176.870 0.156 0.000 1.089 305 L CA 1.151 56.080 54.840 0.149 0.000 0.757 305 L CB -1.004 41.119 42.059 0.106 0.000 0.899 305 L HN 0.470 nan 8.230 nan 0.000 0.434 306 G N -1.621 107.265 108.800 0.145 0.000 2.807 306 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.207 306 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.207 306 G C 1.017 176.037 174.900 0.200 0.000 1.151 306 G CA 0.198 45.383 45.100 0.143 0.000 0.800 306 G HN 0.373 nan 8.290 nan 0.000 0.523 307 F N -0.013 119.983 119.950 0.077 0.000 2.463 307 F HA 0.105 4.632 4.527 -0.000 0.000 0.271 307 F C 2.346 178.211 175.800 0.108 0.000 0.888 307 F CA 0.795 58.846 58.000 0.085 0.000 1.149 307 F CB -0.156 38.889 39.000 0.075 0.000 1.071 307 F HN -0.009 nan 8.300 nan 0.000 0.802 308 V N 0.158 120.250 119.914 0.297 0.000 2.594 308 V HA 0.225 4.344 4.120 -0.000 0.000 0.253 308 V C 0.641 176.776 176.094 0.069 0.000 1.069 308 V CA 1.070 63.482 62.300 0.187 0.000 1.082 308 V CB -1.731 30.270 31.823 0.297 0.000 0.680 308 V HN 0.537 nan 8.190 nan 0.000 0.469 309 A N -0.176 122.704 122.820 0.099 0.000 2.611 309 A HA 0.729 5.049 4.320 -0.000 0.000 0.282 309 A C -2.100 175.547 177.584 0.105 0.000 1.114 309 A CA -0.735 51.364 52.037 0.104 0.000 0.800 309 A CB 1.165 20.290 19.000 0.208 0.000 1.325 309 A HN 0.192 nan 8.150 nan 0.000 0.411 310 P HA -0.040 nan 4.420 nan 0.000 0.223 310 P C 1.496 178.858 177.300 0.104 0.000 1.151 310 P CA 1.543 64.696 63.100 0.089 0.000 0.787 310 P CB 0.342 32.087 31.700 0.074 0.000 0.788 311 A N -0.323 122.566 122.820 0.116 0.000 2.168 311 A HA -0.075 4.245 4.320 -0.000 0.000 0.215 311 A C 1.925 179.545 177.584 0.061 0.000 1.152 311 A CA 1.817 53.916 52.037 0.103 0.000 0.716 311 A CB -1.511 17.533 19.000 0.073 0.000 0.794 311 A HN 0.332 nan 8.150 nan 0.000 0.465 312 T N -4.196 110.397 114.554 0.064 0.000 3.086 312 T HA 0.354 4.703 4.350 -0.000 0.000 0.250 312 T C 0.533 175.251 174.700 0.029 0.000 1.074 312 T CA 0.551 62.656 62.100 0.008 0.000 0.988 312 T CB -0.023 68.831 68.868 -0.023 0.000 0.988 312 T HN 0.214 nan 8.240 nan 0.000 0.530 313 S N -0.775 114.959 115.700 0.057 0.000 2.627 313 S HA 0.710 5.180 4.470 -0.000 0.000 0.283 313 S C 0.049 174.687 174.600 0.062 0.000 1.127 313 S CA 0.361 58.597 58.200 0.060 0.000 0.863 313 S CB 1.104 64.346 63.200 0.070 0.000 1.121 313 S HN 1.382 nan 8.310 nan 0.000 0.479 314 G N 1.153 109.987 108.800 0.056 0.000 2.757 314 G HA2 0.044 4.004 3.960 -0.000 0.000 0.638 314 G HA3 0.044 4.004 3.960 -0.000 0.000 0.638 314 G C 0.819 175.731 174.900 0.019 0.000 1.344 314 G CA 0.026 45.154 45.100 0.046 0.000 0.855 314 G HN 1.592 nan 8.290 nan 0.000 0.537 315 G N -0.810 107.978 108.800 -0.020 0.000 2.469 315 G HA2 0.313 4.273 3.960 -0.000 0.000 0.220 315 G HA3 0.313 4.273 3.960 -0.000 0.000 0.220 315 G C 2.146 176.938 174.900 -0.180 0.000 1.136 315 G CA 2.345 47.361 45.100 -0.139 0.000 0.759 315 G HN 2.816 nan 8.290 nan 0.000 0.562 316 G N -1.342 107.434 108.800 -0.039 0.000 2.195 316 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.224 316 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.224 316 G C 0.865 175.888 174.900 0.204 0.000 0.990 316 G CA 0.457 45.591 45.100 0.057 0.000 0.639 316 G HN 0.283 nan 8.290 nan 0.000 0.514 317 F N 2.111 122.131 119.950 0.117 0.000 2.722 317 F HA 0.135 4.662 4.527 0.000 0.000 0.298 317 F C 2.031 177.892 175.800 0.101 0.000 1.175 317 F CA 0.619 58.687 58.000 0.112 0.000 1.462 317 F CB -0.311 38.759 39.000 0.116 0.000 1.111 317 F HN 0.305 nan 8.300 nan 0.000 0.592 318 N N 0.289 119.157 118.700 0.281 0.000 2.428 318 N HA -0.002 4.738 4.740 -0.000 0.000 0.181 318 N C 2.012 177.641 175.510 0.198 0.000 1.028 318 N CA 0.881 54.052 53.050 0.202 0.000 0.877 318 N CB -0.454 38.135 38.487 0.170 0.000 1.064 318 N HN 0.360 nan 8.380 nan 0.000 0.434 319 L N -0.753 120.617 121.223 0.246 0.000 2.478 319 L HA 0.238 4.578 4.340 -0.000 0.000 0.223 319 L C 1.969 179.008 176.870 0.283 0.000 1.140 319 L CA 0.508 55.549 54.840 0.335 0.000 0.842 319 L CB -0.492 41.810 42.059 0.405 0.000 0.953 319 L HN -0.104 nan 8.230 nan 0.000 0.452 320 I N 0.966 121.672 120.570 0.227 0.000 2.069 320 I HA -0.188 3.982 4.170 -0.000 0.000 0.237 320 I C -0.023 176.161 176.117 0.110 0.000 1.053 320 I CA 1.763 63.170 61.300 0.178 0.000 1.311 320 I CB -1.492 36.620 38.000 0.186 0.000 1.030 320 I HN 0.251 nan 8.210 nan 0.000 0.398 321 P HA -0.164 nan 4.420 nan 0.000 0.215 321 P C 1.836 179.122 177.300 -0.023 0.000 1.157 321 P CA 1.674 64.788 63.100 0.022 0.000 0.868 321 P CB -0.068 31.641 31.700 0.015 0.000 0.788 322 I N -1.151 119.385 120.570 -0.057 0.000 2.361 322 I HA -0.236 3.934 4.170 -0.000 0.000 0.251 322 I C 2.245 178.147 176.117 -0.358 0.000 1.133 322 I CA 1.407 62.549 61.300 -0.263 0.000 1.413 322 I CB -0.635 37.137 38.000 -0.379 0.000 1.073 322 I HN -0.069 nan 8.210 nan 0.000 0.424 323 A N 0.286 123.079 122.820 -0.046 0.000 1.878 323 A HA -0.108 4.212 4.320 -0.000 0.000 0.213 323 A C 2.377 180.009 177.584 0.080 0.000 1.192 323 A CA 1.789 53.913 52.037 0.146 0.000 0.619 323 A CB -0.947 18.266 19.000 0.354 0.000 0.837 323 A HN 0.321 nan 8.150 nan 0.000 0.446 324 T N 0.832 115.422 114.554 0.061 0.000 2.720 324 T HA -0.089 4.260 4.350 -0.000 0.000 0.268 324 T C 2.056 176.770 174.700 0.024 0.000 1.037 324 T CA 1.592 63.722 62.100 0.050 0.000 1.144 324 T CB -0.447 68.443 68.868 0.036 0.000 0.864 324 T HN 0.562 nan 8.240 nan 0.000 0.444 325 A N 0.592 123.405 122.820 -0.012 0.000 2.172 325 A HA 0.387 4.707 4.320 -0.000 0.000 0.216 325 A C 1.988 179.557 177.584 -0.025 0.000 1.154 325 A CA 1.100 53.122 52.037 -0.026 0.000 0.701 325 A CB -1.101 17.866 19.000 -0.055 0.000 0.789 325 A HN 0.894 nan 8.150 nan 0.000 0.465 326 G N -0.557 108.234 108.800 -0.015 0.000 2.198 326 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.257 326 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.257 326 G C 0.412 175.295 174.900 -0.030 0.000 1.042 326 G CA 0.583 45.690 45.100 0.012 0.000 0.791 326 G HN 0.685 nan 8.290 nan 0.000 0.502 327 N N -1.141 117.475 118.700 -0.141 0.000 2.457 327 N HA 0.123 4.863 4.740 -0.000 0.000 0.180 327 N C 0.270 175.681 175.510 -0.165 0.000 1.050 327 N CA 0.113 53.045 53.050 -0.195 0.000 0.906 327 N CB 0.040 38.342 38.487 -0.309 0.000 0.968 327 N HN 0.386 nan 8.380 nan 0.000 0.445 328 F N 1.353 121.322 119.950 0.032 0.000 2.384 328 F HA 0.167 4.694 4.527 -0.000 0.000 0.338 328 F C 1.187 177.002 175.800 0.025 0.000 1.103 328 F CA -1.672 56.349 58.000 0.035 0.000 1.157 328 F CB 0.672 39.703 39.000 0.053 0.000 1.167 328 F HN -0.136 nan 8.300 nan 0.000 0.529 329 S N 2.804 118.646 115.700 0.236 0.000 2.593 329 S HA 0.104 4.574 4.470 -0.000 0.000 0.269 329 S C 1.213 175.878 174.600 0.109 0.000 1.334 329 S CA -0.780 57.495 58.200 0.124 0.000 1.015 329 S CB 0.678 63.926 63.200 0.080 0.000 0.912 329 S HN 0.749 nan 8.310 nan 0.000 0.541 330 M N 2.784 122.420 119.600 0.061 0.000 2.144 330 M HA 0.008 4.488 4.480 -0.000 0.000 0.260 330 M C 1.823 178.147 176.300 0.039 0.000 1.067 330 M CA 2.183 57.505 55.300 0.036 0.000 1.095 330 M CB -1.556 31.047 32.600 0.006 0.000 1.365 330 M HN 0.932 nan 8.290 nan 0.000 0.406 331 G N -0.283 108.542 108.800 0.041 0.000 2.484 331 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.215 331 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.215 331 G C 1.452 176.392 174.900 0.067 0.000 1.219 331 G CA 1.124 46.251 45.100 0.044 0.000 0.791 331 G HN 0.512 nan 8.290 nan 0.000 0.550 332 M N 0.407 120.036 119.600 0.048 0.000 2.260 332 M HA 0.072 4.551 4.480 -0.000 0.000 0.261 332 M C 2.250 178.536 176.300 -0.023 0.000 1.066 332 M CA 1.086 56.399 55.300 0.022 0.000 1.082 332 M CB -0.366 32.245 32.600 0.017 0.000 1.388 332 M HN 0.222 nan 8.290 nan 0.000 0.419 333 L N -1.851 119.370 121.223 -0.004 0.000 1.988 333 L HA -0.196 4.144 4.340 -0.000 0.000 0.207 333 L C 2.263 179.161 176.870 0.047 0.000 1.071 333 L CA 1.096 55.923 54.840 -0.021 0.000 0.744 333 L CB -0.968 41.107 42.059 0.027 0.000 0.893 333 L HN 0.083 nan 8.230 nan 0.000 0.433 334 V N -0.099 119.860 119.914 0.075 0.000 2.282 334 V HA -0.366 3.754 4.120 -0.000 0.000 0.249 334 V C 2.241 178.433 176.094 0.163 0.000 1.057 334 V CA 2.281 64.653 62.300 0.121 0.000 1.032 334 V CB -0.681 31.199 31.823 0.096 0.000 0.645 334 V HN 0.376 nan 8.190 nan 0.000 0.447 335 F N 0.512 120.472 119.950 0.018 0.000 2.046 335 F HA -0.241 4.286 4.527 -0.001 0.000 0.297 335 F C 2.188 177.987 175.800 -0.001 0.000 1.123 335 F CA 2.115 60.117 58.000 0.004 0.000 1.199 335 F CB -0.318 38.669 39.000 -0.022 0.000 0.972 335 F HN 0.046 nan 8.300 nan 0.000 0.474 336 I N -0.617 119.940 120.570 -0.022 0.000 2.248 336 I HA -0.331 3.838 4.170 -0.000 0.000 0.248 336 I C 2.276 178.345 176.117 -0.079 0.000 1.107 336 I CA 1.343 62.561 61.300 -0.136 0.000 1.373 336 I CB -0.574 37.335 38.000 -0.151 0.000 1.055 336 I HN 0.246 nan 8.210 nan 0.000 0.418 337 F N 1.143 121.000 119.950 -0.154 0.000 2.031 337 F HA -0.206 4.321 4.527 -0.000 0.000 0.295 337 F C 2.399 178.137 175.800 -0.103 0.000 1.133 337 F CA 1.730 59.659 58.000 -0.119 0.000 1.188 337 F CB -0.779 38.151 39.000 -0.117 0.000 0.974 337 F HN -0.223 nan 8.300 nan 0.000 0.473 338 V N 0.887 120.691 119.914 -0.183 0.000 2.231 338 V HA -0.379 3.741 4.120 -0.000 0.000 0.248 338 V C 2.772 178.703 176.094 -0.272 0.000 1.054 338 V CA 2.272 64.433 62.300 -0.233 0.000 1.015 338 V CB -1.847 29.908 31.823 -0.113 0.000 0.638 338 V HN 0.501 nan 8.190 nan 0.000 0.444 339 A N -0.375 122.207 122.820 -0.396 0.000 1.948 339 A HA -0.283 4.037 4.320 -0.000 0.000 0.220 339 A C 2.377 179.837 177.584 -0.206 0.000 1.177 339 A CA 2.262 54.072 52.037 -0.378 0.000 0.636 339 A CB -0.544 18.058 19.000 -0.663 0.000 0.815 339 A HN 0.556 nan 8.150 nan 0.000 0.449 340 R N -1.035 119.352 120.500 -0.187 0.000 2.127 340 R HA 0.028 4.368 4.340 -0.000 0.000 0.217 340 R C 2.023 178.298 176.300 -0.041 0.000 1.074 340 R CA 1.007 57.057 56.100 -0.084 0.000 0.991 340 R CB -0.378 29.897 30.300 -0.041 0.000 0.895 340 R HN 0.414 nan 8.270 nan 0.000 0.450 341 V N 1.692 121.529 119.914 -0.128 0.000 2.287 341 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 341 V C 2.264 178.421 176.094 0.104 0.000 1.053 341 V CA 1.852 64.179 62.300 0.044 0.000 1.027 341 V CB -0.397 31.413 31.823 -0.022 0.000 0.646 341 V HN 0.227 nan 8.190 nan 0.000 0.447 342 I N 0.855 121.424 120.570 -0.002 0.000 2.076 342 I HA -0.279 3.890 4.170 -0.000 0.000 0.237 342 I C 2.820 178.954 176.117 0.029 0.000 1.059 342 I CA 2.307 63.602 61.300 -0.008 0.000 1.317 342 I CB -0.938 37.028 38.000 -0.056 0.000 1.037 342 I HN 0.506 nan 8.210 nan 0.000 0.398 343 T N -2.492 112.074 114.554 0.020 0.000 2.849 343 T HA -0.163 4.187 4.350 -0.000 0.000 0.270 343 T C 1.745 176.504 174.700 0.098 0.000 1.066 343 T CA 1.870 63.999 62.100 0.049 0.000 1.130 343 T CB -0.888 67.999 68.868 0.032 0.000 0.864 343 T HN 0.273 nan 8.240 nan 0.000 0.481 344 T N 2.192 116.822 114.554 0.126 0.000 2.777 344 T HA 0.158 4.508 4.350 -0.000 0.000 0.266 344 T C 1.883 176.719 174.700 0.226 0.000 1.040 344 T CA 1.143 63.359 62.100 0.192 0.000 1.141 344 T CB -0.412 68.611 68.868 0.258 0.000 0.868 344 T HN 0.322 nan 8.240 nan 0.000 0.444 345 L N 0.237 121.569 121.223 0.181 0.000 2.005 345 L HA -0.049 4.291 4.340 -0.000 0.000 0.207 345 L C 2.421 179.375 176.870 0.140 0.000 1.072 345 L CA 0.834 55.758 54.840 0.140 0.000 0.744 345 L CB -0.687 41.410 42.059 0.064 0.000 0.895 345 L HN 0.176 nan 8.230 nan 0.000 0.433 346 L N -0.634 120.651 121.223 0.104 0.000 2.089 346 L HA -0.304 4.036 4.340 -0.000 0.000 0.213 346 L C 2.579 179.547 176.870 0.162 0.000 1.079 346 L CA 1.732 56.633 54.840 0.102 0.000 0.758 346 L CB -0.841 41.260 42.059 0.070 0.000 0.891 346 L HN 0.374 nan 8.230 nan 0.000 0.433 347 C N -2.388 117.027 119.300 0.192 0.000 2.486 347 C HA -0.069 4.390 4.460 -0.000 0.000 0.279 347 C C 2.597 177.752 174.990 0.275 0.000 1.302 347 C CA 0.009 59.169 59.018 0.235 0.000 1.720 347 C CB -0.662 27.204 27.740 0.210 0.000 2.030 347 C HN 0.553 nan 8.230 nan 0.000 0.490 348 F N 1.825 121.858 119.950 0.138 0.000 2.123 348 F HA -0.017 4.509 4.527 -0.000 0.000 0.289 348 F C 2.524 178.409 175.800 0.141 0.000 1.099 348 F CA 1.883 59.966 58.000 0.138 0.000 1.234 348 F CB -0.722 38.365 39.000 0.145 0.000 1.034 348 F HN 0.016 nan 8.300 nan 0.000 0.479 349 S N -0.113 115.669 115.700 0.137 0.000 2.420 349 S HA -0.206 4.264 4.470 -0.000 0.000 0.237 349 S C 1.707 176.316 174.600 0.014 0.000 1.023 349 S CA 1.320 59.532 58.200 0.020 0.000 0.991 349 S CB -0.970 62.274 63.200 0.074 0.000 0.792 349 S HN 0.522 nan 8.310 nan 0.000 0.488 350 S N 0.502 116.264 115.700 0.103 0.000 2.768 350 S HA 0.431 4.901 4.470 -0.000 0.000 0.246 350 S C 1.365 176.196 174.600 0.385 0.000 1.006 350 S CA 0.300 58.640 58.200 0.233 0.000 1.075 350 S CB -0.509 62.870 63.200 0.300 0.000 0.786 350 S HN 0.683 nan 8.310 nan 0.000 0.468 351 G N 0.658 109.558 108.800 0.167 0.000 2.205 351 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.269 351 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.269 351 G C 0.444 175.295 174.900 -0.081 0.000 0.977 351 G CA 0.087 45.271 45.100 0.141 0.000 0.652 351 G HN 1.541 nan 8.290 nan 0.000 0.539 352 A N 1.562 124.277 122.820 -0.176 0.000 2.546 352 A HA 0.516 4.836 4.320 -0.000 0.000 0.243 352 A C -1.085 176.373 177.584 -0.211 0.000 1.063 352 A CA -0.042 51.700 52.037 -0.491 0.000 0.757 352 A CB 0.180 18.998 19.000 -0.303 0.000 0.991 352 A HN 0.327 nan 8.150 nan 0.000 0.503 353 P HA 0.371 nan 4.420 nan 0.000 0.266 353 P C 0.162 177.474 177.300 0.019 0.000 1.215 353 P CA 0.874 63.931 63.100 -0.071 0.000 0.763 353 P CB 0.639 32.305 31.700 -0.056 0.000 0.806 354 G N 1.935 110.776 108.800 0.068 0.000 2.249 354 G HA2 0.368 4.328 3.960 -0.000 0.000 0.252 354 G HA3 0.368 4.328 3.960 -0.000 0.000 0.252 354 G C -0.164 174.875 174.900 0.230 0.000 1.697 354 G CA -0.408 44.759 45.100 0.113 0.000 0.916 354 G HN 0.585 nan 8.290 nan 0.000 0.725 355 G N -0.302 108.587 108.800 0.149 0.000 2.750 355 G HA2 0.455 4.415 3.960 -0.000 0.000 0.250 355 G HA3 0.455 4.415 3.960 -0.000 0.000 0.250 355 G C 0.954 175.948 174.900 0.157 0.000 1.230 355 G CA 0.074 45.288 45.100 0.190 0.000 0.883 355 G HN 1.223 nan 8.290 nan 0.000 0.573 356 I N -0.449 120.153 120.570 0.054 0.000 4.082 356 I HA 0.233 4.403 4.170 -0.000 0.000 0.337 356 I C 1.508 177.676 176.117 0.085 0.000 1.352 356 I CA -0.407 60.820 61.300 -0.122 0.000 1.097 356 I CB 0.015 37.584 38.000 -0.719 0.000 1.048 356 I HN 0.584 nan 8.210 nan 0.000 0.393 357 F N 1.526 121.464 119.950 -0.019 0.000 2.011 357 F HA -0.331 4.195 4.527 -0.001 0.000 0.296 357 F C 2.716 178.536 175.800 0.033 0.000 1.144 357 F CA 1.985 59.994 58.000 0.015 0.000 1.185 357 F CB -0.417 38.663 39.000 0.134 0.000 0.961 357 F HN 0.163 nan 8.300 nan 0.000 0.485 358 A N 0.309 123.319 122.820 0.317 0.000 1.884 358 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 358 A C -0.366 177.217 177.584 -0.001 0.000 1.197 358 A CA 2.271 54.369 52.037 0.101 0.000 0.637 358 A CB -2.192 16.699 19.000 -0.181 0.000 0.827 358 A HN 0.265 nan 8.150 nan 0.000 0.450 359 P HA -0.107 nan 4.420 nan 0.000 0.222 359 P C 1.525 178.834 177.300 0.015 0.000 1.147 359 P CA 1.151 64.262 63.100 0.018 0.000 0.790 359 P CB -0.134 31.598 31.700 0.053 0.000 0.780 360 M N -1.777 117.813 119.600 -0.016 0.000 2.236 360 M HA -0.055 4.424 4.480 -0.000 0.000 0.266 360 M C 1.943 178.217 176.300 -0.044 0.000 1.070 360 M CA 1.434 56.683 55.300 -0.084 0.000 1.137 360 M CB -0.684 31.810 32.600 -0.176 0.000 1.378 360 M HN -0.063 nan 8.290 nan 0.000 0.426 361 L N -0.100 121.117 121.223 -0.011 0.000 2.012 361 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 361 L C 2.816 179.738 176.870 0.086 0.000 1.073 361 L CA 1.474 56.333 54.840 0.031 0.000 0.748 361 L CB -0.965 41.168 42.059 0.123 0.000 0.891 361 L HN 0.288 nan 8.230 nan 0.000 0.431 362 A N -0.029 122.858 122.820 0.112 0.000 1.902 362 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 362 A C 2.272 179.937 177.584 0.135 0.000 1.181 362 A CA 1.511 53.628 52.037 0.133 0.000 0.623 362 A CB -0.747 18.324 19.000 0.119 0.000 0.818 362 A HN 0.345 nan 8.150 nan 0.000 0.443 363 L N -0.709 120.587 121.223 0.122 0.000 2.012 363 L HA -0.152 4.187 4.340 -0.000 0.000 0.210 363 L C 2.865 179.862 176.870 0.211 0.000 1.073 363 L CA 1.289 56.253 54.840 0.206 0.000 0.748 363 L CB -0.776 41.354 42.059 0.118 0.000 0.891 363 L HN 0.492 nan 8.230 nan 0.000 0.431 364 G N -1.158 107.757 108.800 0.191 0.000 2.421 364 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.216 364 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.216 364 G C 1.532 176.541 174.900 0.182 0.000 1.171 364 G CA 1.225 46.489 45.100 0.273 0.000 0.775 364 G HN 0.293 nan 8.290 nan 0.000 0.543 365 T N 1.123 115.740 114.554 0.104 0.000 2.597 365 T HA -0.192 4.157 4.350 -0.000 0.000 0.267 365 T C 2.514 177.280 174.700 0.109 0.000 1.053 365 T CA 1.711 63.872 62.100 0.103 0.000 1.165 365 T CB -0.580 68.359 68.868 0.119 0.000 0.863 365 T HN 0.045 nan 8.240 nan 0.000 0.427 366 V N 1.379 121.355 119.914 0.102 0.000 2.332 366 V HA -0.139 3.981 4.120 -0.000 0.000 0.248 366 V C 2.410 178.447 176.094 -0.096 0.000 1.055 366 V CA 1.545 63.877 62.300 0.054 0.000 1.038 366 V CB -0.714 31.163 31.823 0.090 0.000 0.651 366 V HN 0.309 nan 8.190 nan 0.000 0.450 367 L N 1.087 122.179 121.223 -0.219 0.000 2.109 367 L HA 0.091 4.431 4.340 -0.000 0.000 0.207 367 L C 2.332 179.137 176.870 -0.109 0.000 1.086 367 L CA 2.240 56.812 54.840 -0.447 0.000 0.760 367 L CB -1.250 40.316 42.059 -0.823 0.000 0.910 367 L HN 0.248 nan 8.230 nan 0.000 0.437 368 G N -1.619 107.246 108.800 0.109 0.000 2.421 368 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.216 368 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.216 368 G C 1.442 176.457 174.900 0.192 0.000 1.171 368 G CA 1.218 46.433 45.100 0.192 0.000 0.775 368 G HN 0.405 nan 8.290 nan 0.000 0.543 369 T N 1.757 116.393 114.554 0.137 0.000 2.665 369 T HA -0.098 4.252 4.350 -0.000 0.000 0.268 369 T C 2.797 177.544 174.700 0.080 0.000 1.035 369 T CA 1.787 63.966 62.100 0.131 0.000 1.151 369 T CB -0.453 68.495 68.868 0.133 0.000 0.862 369 T HN 0.398 nan 8.240 nan 0.000 0.438 370 A N 0.781 123.612 122.820 0.019 0.000 1.908 370 A HA -0.059 4.260 4.320 -0.000 0.000 0.218 370 A C 2.032 179.589 177.584 -0.045 0.000 1.181 370 A CA 1.497 53.514 52.037 -0.035 0.000 0.627 370 A CB -0.985 17.945 19.000 -0.117 0.000 0.818 370 A HN 0.498 nan 8.150 nan 0.000 0.445 371 F N 1.006 120.846 119.950 -0.183 0.000 2.102 371 F HA -0.004 4.523 4.527 -0.001 0.000 0.298 371 F C 2.364 177.938 175.800 -0.376 0.000 1.105 371 F CA 1.500 59.339 58.000 -0.269 0.000 1.239 371 F CB -0.708 38.128 39.000 -0.273 0.000 0.991 371 F HN 0.221 nan 8.300 nan 0.000 0.474 372 G N 0.862 109.585 108.800 -0.128 0.000 2.491 372 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.218 372 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.218 372 G C 1.650 176.472 174.900 -0.131 0.000 1.180 372 G CA 1.225 46.254 45.100 -0.118 0.000 0.774 372 G HN 0.295 nan 8.290 nan 0.000 0.562 373 M N 0.172 119.731 119.600 -0.068 0.000 2.226 373 M HA -0.180 4.299 4.480 -0.000 0.000 0.257 373 M C 2.761 178.970 176.300 -0.152 0.000 1.070 373 M CA 1.589 56.846 55.300 -0.071 0.000 1.087 373 M CB -1.306 31.266 32.600 -0.046 0.000 1.278 373 M HN 0.165 nan 8.290 nan 0.000 0.426 374 V N 0.479 120.247 119.914 -0.244 0.000 2.255 374 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 374 V C 2.766 178.657 176.094 -0.338 0.000 1.051 374 V CA 2.126 64.248 62.300 -0.296 0.000 1.018 374 V CB -1.649 29.955 31.823 -0.365 0.000 0.641 374 V HN 0.572 nan 8.190 nan 0.000 0.445 375 A N -0.199 122.328 122.820 -0.488 0.000 1.917 375 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 375 A C 2.418 179.971 177.584 -0.053 0.000 1.182 375 A CA 2.291 54.129 52.037 -0.333 0.000 0.633 375 A CB -0.889 17.678 19.000 -0.721 0.000 0.819 375 A HN 0.343 nan 8.150 nan 0.000 0.448 376 V N 0.794 120.666 119.914 -0.070 0.000 2.392 376 V HA -0.281 3.838 4.120 -0.000 0.000 0.249 376 V C 2.429 178.495 176.094 -0.048 0.000 1.059 376 V CA 2.475 64.782 62.300 0.012 0.000 1.051 376 V CB -0.788 31.047 31.823 0.020 0.000 0.658 376 V HN 0.966 nan 8.190 nan 0.000 0.455 377 E N -0.709 119.419 120.200 -0.121 0.000 2.472 377 E HA 0.060 4.409 4.350 -0.000 0.000 0.196 377 E C 1.783 178.235 176.600 -0.247 0.000 1.033 377 E CA 0.275 56.585 56.400 -0.149 0.000 0.886 377 E CB -0.040 29.585 29.700 -0.126 0.000 0.944 377 E HN 0.524 nan 8.360 nan 0.000 0.492 378 L N -0.273 120.718 121.223 -0.387 0.000 2.477 378 L HA 0.248 4.587 4.340 -0.000 0.000 0.220 378 L C 0.081 176.320 176.870 -1.052 0.000 1.106 378 L CA 0.303 54.684 54.840 -0.764 0.000 0.851 378 L CB 0.199 41.616 42.059 -1.070 0.000 0.994 378 L HN 0.131 nan 8.230 nan 0.000 0.462 379 F N -0.402 119.474 119.950 -0.123 0.000 2.708 379 F HA 0.299 4.826 4.527 -0.000 0.000 0.344 379 F C -1.712 174.007 175.800 -0.135 0.000 1.447 379 F CA -1.349 56.541 58.000 -0.183 0.000 1.140 379 F CB 0.477 39.357 39.000 -0.200 0.000 1.657 379 F HN -0.203 nan 8.300 nan 0.000 0.598 380 P HA -0.197 nan 4.420 nan 0.000 0.219 380 P C 0.900 178.117 177.300 -0.138 0.000 1.146 380 P CA 1.441 64.483 63.100 -0.097 0.000 0.808 380 P CB 0.339 31.967 31.700 -0.120 0.000 0.779 381 Q N -0.891 118.881 119.800 -0.048 0.000 2.096 381 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 381 Q C 1.906 178.102 176.000 0.327 0.000 0.982 381 Q CA 1.446 57.285 55.803 0.060 0.000 0.850 381 Q CB -1.206 27.520 28.738 -0.020 0.000 0.901 381 Q HN 0.315 nan 8.270 nan 0.000 0.422 382 Y N -0.049 120.401 120.300 0.250 0.000 2.571 382 Y HA -0.016 4.534 4.550 -0.000 0.000 0.294 382 Y C 0.015 176.101 175.900 0.310 0.000 1.141 382 Y CA 0.518 58.771 58.100 0.254 0.000 1.308 382 Y CB -0.732 37.838 38.460 0.183 0.000 1.002 382 Y HN 0.275 nan 8.280 nan 0.000 0.551 383 H N -1.440 117.774 119.070 0.240 0.000 2.692 383 H HA -0.168 4.388 4.556 -0.000 0.000 0.316 383 H C -0.083 175.336 175.328 0.152 0.000 1.176 383 H CA 0.150 56.291 56.048 0.155 0.000 1.142 383 H CB -2.083 27.746 29.762 0.112 0.000 1.475 383 H HN 0.188 nan 8.280 nan 0.000 0.423 384 L N 0.126 121.502 121.223 0.256 0.000 2.472 384 L HA 0.261 4.601 4.340 -0.000 0.000 0.260 384 L C 0.987 177.967 176.870 0.183 0.000 1.209 384 L CA 0.229 55.222 54.840 0.255 0.000 0.817 384 L CB 0.731 43.016 42.059 0.376 0.000 1.106 384 L HN 0.456 nan 8.230 nan 0.000 0.479 385 E N 0.148 120.444 120.200 0.160 0.000 2.244 385 E HA 0.355 4.705 4.350 -0.000 0.000 0.260 385 E C 0.110 176.811 176.600 0.168 0.000 0.884 385 E CA -0.424 56.049 56.400 0.121 0.000 0.777 385 E CB 1.847 31.585 29.700 0.064 0.000 1.197 385 E HN 0.665 nan 8.360 nan 0.000 0.416 386 A N 3.728 126.669 122.820 0.201 0.000 1.986 386 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 386 A C 1.916 179.635 177.584 0.224 0.000 1.171 386 A CA 1.926 54.131 52.037 0.281 0.000 0.640 386 A CB -0.882 18.216 19.000 0.163 0.000 0.811 386 A HN 0.805 nan 8.150 nan 0.000 0.451 387 G N -0.440 108.431 108.800 0.118 0.000 2.485 387 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.221 387 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.221 387 G C 1.653 176.576 174.900 0.038 0.000 1.115 387 G CA 2.070 47.212 45.100 0.070 0.000 0.751 387 G HN 0.736 nan 8.290 nan 0.000 0.567 388 T N -1.948 112.593 114.554 -0.020 0.000 2.896 388 T HA 0.070 4.420 4.350 -0.000 0.000 0.263 388 T C 2.071 176.719 174.700 -0.086 0.000 1.050 388 T CA 0.669 62.697 62.100 -0.119 0.000 1.140 388 T CB -0.392 68.335 68.868 -0.235 0.000 0.877 388 T HN 0.212 nan 8.240 nan 0.000 0.457 389 F N 2.027 122.051 119.950 0.124 0.000 2.325 389 F HA 0.337 4.864 4.527 0.000 0.000 0.299 389 F C 2.911 178.755 175.800 0.073 0.000 1.090 389 F CA 0.348 58.399 58.000 0.086 0.000 1.392 389 F CB -0.613 38.425 39.000 0.063 0.000 1.053 389 F HN 0.236 nan 8.300 nan 0.000 0.521 390 A N 0.968 123.922 122.820 0.223 0.000 1.841 390 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 390 A C 2.210 179.836 177.584 0.070 0.000 1.199 390 A CA 1.814 53.934 52.037 0.137 0.000 0.621 390 A CB -1.140 17.928 19.000 0.114 0.000 0.835 390 A HN 0.358 nan 8.150 nan 0.000 0.445 391 I N -0.361 120.232 120.570 0.038 0.000 2.361 391 I HA -0.290 3.880 4.170 -0.000 0.000 0.251 391 I C 2.911 179.001 176.117 -0.045 0.000 1.133 391 I CA 0.930 62.221 61.300 -0.015 0.000 1.413 391 I CB -0.250 37.730 38.000 -0.034 0.000 1.073 391 I HN 0.409 nan 8.210 nan 0.000 0.424 392 A N 0.620 123.440 122.820 -0.001 0.000 1.873 392 A HA -0.113 4.207 4.320 -0.000 0.000 0.215 392 A C 2.395 179.901 177.584 -0.130 0.000 1.186 392 A CA 1.789 53.817 52.037 -0.015 0.000 0.616 392 A CB -1.309 17.820 19.000 0.214 0.000 0.823 392 A HN 0.445 nan 8.150 nan 0.000 0.442 393 G N -1.010 107.725 108.800 -0.108 0.000 2.534 393 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.217 393 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.217 393 G C 1.498 176.174 174.900 -0.374 0.000 1.128 393 G CA 0.945 45.844 45.100 -0.334 0.000 0.784 393 G HN 0.499 nan 8.290 nan 0.000 0.542 394 M N 0.939 120.434 119.600 -0.176 0.000 2.073 394 M HA -0.022 4.458 4.480 -0.000 0.000 0.258 394 M C 2.194 178.373 176.300 -0.202 0.000 1.070 394 M CA 2.004 57.230 55.300 -0.123 0.000 1.103 394 M CB -0.167 32.391 32.600 -0.069 0.000 1.321 394 M HN 0.165 nan 8.290 nan 0.000 0.405 395 G N -1.380 107.267 108.800 -0.254 0.000 3.314 395 G HA2 0.378 4.338 3.960 -0.000 0.000 0.238 395 G HA3 0.378 4.338 3.960 -0.000 0.000 0.238 395 G C 1.049 175.732 174.900 -0.363 0.000 1.184 395 G CA 0.456 45.390 45.100 -0.277 0.000 0.806 395 G HN 0.604 nan 8.290 nan 0.000 0.536 396 A N 0.281 122.754 122.820 -0.579 0.000 1.970 396 A HA 0.197 4.516 4.320 -0.000 0.000 0.216 396 A C 2.095 179.377 177.584 -0.504 0.000 1.170 396 A CA 0.778 52.336 52.037 -0.798 0.000 0.645 396 A CB -0.154 17.812 19.000 -1.723 0.000 0.816 396 A HN 0.367 nan 8.150 nan 0.000 0.447 397 L N -0.281 120.759 121.223 -0.306 0.000 2.109 397 L HA 0.031 4.370 4.340 -0.000 0.000 0.207 397 L C 2.151 178.929 176.870 -0.153 0.000 1.086 397 L CA 1.278 56.124 54.840 0.010 0.000 0.760 397 L CB -0.400 41.698 42.059 0.066 0.000 0.910 397 L HN 0.380 nan 8.230 nan 0.000 0.437 398 L N -1.031 120.032 121.223 -0.266 0.000 2.265 398 L HA -0.195 4.145 4.340 -0.000 0.000 0.215 398 L C 2.410 179.119 176.870 -0.268 0.000 1.117 398 L CA 0.999 55.621 54.840 -0.363 0.000 0.782 398 L CB -0.560 41.227 42.059 -0.453 0.000 0.914 398 L HN 0.383 nan 8.230 nan 0.000 0.441 399 A N -0.656 122.040 122.820 -0.207 0.000 1.903 399 A HA 0.101 4.421 4.320 -0.000 0.000 0.213 399 A C 2.263 179.793 177.584 -0.091 0.000 1.185 399 A CA 1.071 53.022 52.037 -0.144 0.000 0.628 399 A CB -0.317 18.591 19.000 -0.153 0.000 0.830 399 A HN 0.332 nan 8.150 nan 0.000 0.446 400 A N -1.440 121.344 122.820 -0.060 0.000 2.275 400 A HA 0.390 4.710 4.320 -0.000 0.000 0.212 400 A C 1.842 179.412 177.584 -0.024 0.000 1.201 400 A CA 1.305 53.336 52.037 -0.012 0.000 0.843 400 A CB -0.079 18.965 19.000 0.073 0.000 0.873 400 A HN 0.360 nan 8.150 nan 0.000 0.492 401 S N -0.994 114.669 115.700 -0.061 0.000 3.186 401 S HA 0.191 4.661 4.470 -0.000 0.000 0.253 401 S C 1.329 175.857 174.600 -0.121 0.000 1.071 401 S CA 0.160 58.321 58.200 -0.065 0.000 0.796 401 S CB -0.031 63.152 63.200 -0.029 0.000 0.818 401 S HN 0.339 nan 8.310 nan 0.000 0.498 402 I N 2.032 122.475 120.570 -0.211 0.000 2.761 402 I HA 0.131 4.301 4.170 -0.000 0.000 0.261 402 I C 0.306 176.406 176.117 -0.029 0.000 1.198 402 I CA 0.782 61.950 61.300 -0.220 0.000 1.482 402 I CB -0.996 36.757 38.000 -0.412 0.000 1.100 402 I HN 0.287 nan 8.210 nan 0.000 0.445 403 R N 0.414 120.891 120.500 -0.039 0.000 3.525 403 R HA -0.184 4.156 4.340 -0.000 0.000 0.276 403 R C 0.363 176.712 176.300 0.082 0.000 1.116 403 R CA 0.821 56.932 56.100 0.020 0.000 0.745 403 R CB -2.749 27.583 30.300 0.053 0.000 1.185 403 R HN 0.423 nan 8.270 nan 0.000 0.454 404 A N 0.239 123.072 122.820 0.020 0.000 3.218 404 A HA 0.460 4.780 4.320 -0.000 0.000 0.321 404 A C -1.040 176.546 177.584 0.004 0.000 1.012 404 A CA -0.996 51.087 52.037 0.076 0.000 0.948 404 A CB 0.720 19.750 19.000 0.050 0.000 1.050 404 A HN -0.014 nan 8.150 nan 0.000 0.492 405 P HA -0.148 nan 4.420 nan 0.000 0.216 405 P C 1.580 178.856 177.300 -0.039 0.000 1.153 405 P CA 0.554 63.620 63.100 -0.057 0.000 0.844 405 P CB 0.240 31.906 31.700 -0.057 0.000 0.787 406 L N 0.089 121.313 121.223 0.002 0.000 2.081 406 L HA -0.132 4.208 4.340 -0.000 0.000 0.212 406 L C 2.316 179.200 176.870 0.024 0.000 1.080 406 L CA 2.185 57.034 54.840 0.015 0.000 0.754 406 L CB -1.765 40.318 42.059 0.040 0.000 0.893 406 L HN -0.036 nan 8.230 nan 0.000 0.433 407 T N -1.028 113.559 114.554 0.056 0.000 2.737 407 T HA -0.102 4.247 4.350 -0.000 0.000 0.265 407 T C 1.668 176.357 174.700 -0.018 0.000 1.038 407 T CA 1.280 63.426 62.100 0.078 0.000 1.144 407 T CB -0.776 68.220 68.868 0.213 0.000 0.866 407 T HN 0.566 nan 8.240 nan 0.000 0.434 408 G N 1.047 109.797 108.800 -0.084 0.000 2.402 408 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.216 408 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.216 408 G C 1.554 176.369 174.900 -0.142 0.000 1.162 408 G CA 0.452 45.453 45.100 -0.165 0.000 0.777 408 G HN 0.474 nan 8.290 nan 0.000 0.539 409 I N 0.494 120.999 120.570 -0.108 0.000 2.163 409 I HA -0.160 4.010 4.170 -0.000 0.000 0.243 409 I C 2.616 178.693 176.117 -0.067 0.000 1.085 409 I CA 0.969 62.213 61.300 -0.093 0.000 1.347 409 I CB -0.137 37.818 38.000 -0.075 0.000 1.044 409 I HN 0.140 nan 8.210 nan 0.000 0.408 410 I N -0.201 120.341 120.570 -0.046 0.000 2.439 410 I HA -0.257 3.913 4.170 -0.000 0.000 0.251 410 I C 2.405 178.484 176.117 -0.064 0.000 1.139 410 I CA 0.802 62.081 61.300 -0.034 0.000 1.438 410 I CB -0.180 37.815 38.000 -0.010 0.000 1.085 410 I HN 0.230 nan 8.210 nan 0.000 0.427 411 L N 0.442 121.606 121.223 -0.099 0.000 2.012 411 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 411 L C 2.419 179.189 176.870 -0.168 0.000 1.073 411 L CA 1.882 56.622 54.840 -0.166 0.000 0.748 411 L CB -0.445 41.457 42.059 -0.261 0.000 0.891 411 L HN -0.034 nan 8.230 nan 0.000 0.431 412 V N -0.335 119.489 119.914 -0.150 0.000 2.261 412 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 412 V C 2.514 178.556 176.094 -0.086 0.000 1.047 412 V CA 1.801 64.027 62.300 -0.124 0.000 1.015 412 V CB -0.822 30.929 31.823 -0.120 0.000 0.642 412 V HN 0.585 nan 8.190 nan 0.000 0.446 413 L N 0.273 121.458 121.223 -0.064 0.000 2.127 413 L HA -0.185 4.155 4.340 -0.000 0.000 0.211 413 L C 2.196 179.050 176.870 -0.028 0.000 1.089 413 L CA 1.970 56.795 54.840 -0.025 0.000 0.757 413 L CB -0.717 41.350 42.059 0.014 0.000 0.899 413 L HN 0.386 nan 8.230 nan 0.000 0.434 414 E N -1.301 118.870 120.200 -0.048 0.000 2.371 414 E HA -0.087 4.263 4.350 -0.000 0.000 0.194 414 E C 1.962 178.533 176.600 -0.050 0.000 1.012 414 E CA 0.953 57.325 56.400 -0.046 0.000 0.860 414 E CB 0.032 29.701 29.700 -0.052 0.000 0.811 414 E HN 0.606 nan 8.360 nan 0.000 0.502 415 M N -0.619 118.939 119.600 -0.070 0.000 2.657 415 M HA -0.012 4.468 4.480 -0.000 0.000 0.262 415 M C 2.268 178.526 176.300 -0.069 0.000 1.213 415 M CA 1.089 56.340 55.300 -0.082 0.000 1.182 415 M CB 0.283 32.806 32.600 -0.128 0.000 1.303 415 M HN 0.061 nan 8.290 nan 0.000 0.501 416 T N -3.886 110.631 114.554 -0.060 0.000 3.037 416 T HA 0.028 4.378 4.350 -0.000 0.000 0.252 416 T C 0.530 175.212 174.700 -0.029 0.000 1.073 416 T CA 0.245 62.317 62.100 -0.046 0.000 1.091 416 T CB -0.067 68.773 68.868 -0.046 0.000 0.935 416 T HN 0.304 nan 8.240 nan 0.000 0.488 417 D N 2.070 122.458 120.400 -0.021 0.000 2.737 417 D HA -0.159 4.481 4.640 -0.000 0.000 0.238 417 D C -0.962 175.342 176.300 0.007 0.000 1.157 417 D CA 0.352 54.351 54.000 -0.001 0.000 0.694 417 D CB -1.872 38.925 40.800 -0.005 0.000 1.021 417 D HN 0.576 nan 8.370 nan 0.000 0.420 418 N N 1.472 120.175 118.700 0.006 0.000 2.765 418 N HA 0.012 4.752 4.740 -0.000 0.000 0.277 418 N C 0.400 175.901 175.510 -0.015 0.000 1.750 418 N CA -0.441 52.602 53.050 -0.012 0.000 0.827 418 N CB 0.284 38.743 38.487 -0.047 0.000 1.200 418 N HN 0.275 nan 8.380 nan 0.000 0.494 419 Y N 2.630 122.890 120.300 -0.067 0.000 2.403 419 Y HA -0.209 4.340 4.550 -0.000 0.000 0.291 419 Y C 2.557 178.407 175.900 -0.083 0.000 1.143 419 Y CA 1.789 59.846 58.100 -0.071 0.000 1.257 419 Y CB 0.318 38.745 38.460 -0.056 0.000 0.984 419 Y HN 0.369 nan 8.280 nan 0.000 0.550 420 Q N 0.311 119.963 119.800 -0.247 0.000 2.439 420 Q HA -0.160 4.180 4.340 -0.000 0.000 0.211 420 Q C 1.117 176.904 176.000 -0.356 0.000 0.978 420 Q CA 1.645 57.262 55.803 -0.310 0.000 0.897 420 Q CB -0.710 27.935 28.738 -0.155 0.000 0.956 420 Q HN 0.661 nan 8.270 nan 0.000 0.483 421 L N 0.311 121.336 121.223 -0.330 0.000 2.628 421 L HA 0.133 4.472 4.340 -0.000 0.000 0.229 421 L C 1.836 178.484 176.870 -0.370 0.000 1.137 421 L CA -0.375 54.262 54.840 -0.338 0.000 0.909 421 L CB -0.061 41.844 42.059 -0.257 0.000 1.137 421 L HN 0.073 nan 8.230 nan 0.000 0.470 422 I N 0.390 120.696 120.570 -0.441 0.000 2.163 422 I HA -0.330 3.840 4.170 -0.000 0.000 0.243 422 I C 2.213 178.155 176.117 -0.292 0.000 1.085 422 I CA 1.731 62.816 61.300 -0.357 0.000 1.347 422 I CB -0.018 37.694 38.000 -0.481 0.000 1.044 422 I HN 0.215 nan 8.210 nan 0.000 0.408 423 L N 0.531 121.560 121.223 -0.325 0.000 1.970 423 L HA -0.158 4.182 4.340 -0.000 0.000 0.212 423 L C -0.351 176.329 176.870 -0.316 0.000 1.071 423 L CA 1.803 56.486 54.840 -0.262 0.000 0.751 423 L CB -1.629 40.289 42.059 -0.236 0.000 0.889 423 L HN 0.185 nan 8.230 nan 0.000 0.432 424 P HA -0.197 nan 4.420 nan 0.000 0.216 424 P C 1.722 178.760 177.300 -0.437 0.000 1.150 424 P CA 1.719 64.333 63.100 -0.810 0.000 0.843 424 P CB -0.010 30.760 31.700 -1.549 0.000 0.787 425 M N -1.698 117.710 119.600 -0.320 0.000 2.098 425 M HA -0.089 4.391 4.480 -0.000 0.000 0.262 425 M C 2.206 178.415 176.300 -0.151 0.000 1.072 425 M CA 1.732 56.916 55.300 -0.194 0.000 1.133 425 M CB -0.902 31.595 32.600 -0.173 0.000 1.344 425 M HN -0.139 nan 8.290 nan 0.000 0.414 426 I N 0.480 120.964 120.570 -0.144 0.000 2.248 426 I HA -0.323 3.847 4.170 -0.000 0.000 0.248 426 I C 2.294 178.359 176.117 -0.086 0.000 1.107 426 I CA 1.418 62.657 61.300 -0.101 0.000 1.373 426 I CB -0.379 37.569 38.000 -0.086 0.000 1.055 426 I HN 0.293 nan 8.210 nan 0.000 0.418 427 I N 0.045 120.560 120.570 -0.093 0.000 2.193 427 I HA -0.243 3.927 4.170 -0.000 0.000 0.240 427 I C 2.550 178.654 176.117 -0.022 0.000 1.084 427 I CA 1.536 62.811 61.300 -0.043 0.000 1.365 427 I CB -0.565 37.421 38.000 -0.023 0.000 1.064 427 I HN 0.195 nan 8.210 nan 0.000 0.410 428 T N 0.611 115.154 114.554 -0.018 0.000 2.720 428 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 428 T C 1.850 176.488 174.700 -0.102 0.000 1.037 428 T CA 1.522 63.598 62.100 -0.040 0.000 1.144 428 T CB -0.828 68.008 68.868 -0.053 0.000 0.864 428 T HN 0.592 nan 8.240 nan 0.000 0.444 429 G N 1.528 110.255 108.800 -0.121 0.000 2.511 429 G HA2 -0.175 3.784 3.960 -0.000 0.000 0.216 429 G HA3 -0.175 3.784 3.960 -0.000 0.000 0.216 429 G C 1.520 176.366 174.900 -0.089 0.000 1.218 429 G CA 0.998 46.020 45.100 -0.130 0.000 0.788 429 G HN 0.449 nan 8.290 nan 0.000 0.560 430 L N 1.463 122.647 121.223 -0.065 0.000 2.013 430 L HA 0.035 4.375 4.340 -0.000 0.000 0.212 430 L C 2.853 179.697 176.870 -0.044 0.000 1.073 430 L CA 2.659 57.468 54.840 -0.050 0.000 0.753 430 L CB -0.924 41.115 42.059 -0.034 0.000 0.890 430 L HN 0.203 nan 8.230 nan 0.000 0.432 431 G N -1.313 107.472 108.800 -0.025 0.000 2.450 431 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.220 431 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.220 431 G C 1.541 176.439 174.900 -0.003 0.000 1.130 431 G CA 0.888 45.987 45.100 -0.001 0.000 0.760 431 G HN 0.675 nan 8.290 nan 0.000 0.557 432 A N 0.184 122.994 122.820 -0.017 0.000 1.872 432 A HA 0.067 4.387 4.320 -0.000 0.000 0.214 432 A C 2.536 180.102 177.584 -0.031 0.000 1.187 432 A CA 2.255 54.295 52.037 0.006 0.000 0.614 432 A CB -0.859 18.137 19.000 -0.007 0.000 0.826 432 A HN 0.263 nan 8.150 nan 0.000 0.442 433 T N 0.617 115.132 114.554 -0.064 0.000 2.720 433 T HA -0.111 4.238 4.350 -0.000 0.000 0.268 433 T C 1.834 176.446 174.700 -0.147 0.000 1.037 433 T CA 1.372 63.421 62.100 -0.086 0.000 1.144 433 T CB -0.382 68.439 68.868 -0.078 0.000 0.864 433 T HN 0.313 nan 8.240 nan 0.000 0.444 434 L N 0.391 121.512 121.223 -0.171 0.000 1.976 434 L HA -0.068 4.272 4.340 -0.000 0.000 0.209 434 L C 2.507 179.157 176.870 -0.366 0.000 1.071 434 L CA 1.196 55.838 54.840 -0.330 0.000 0.746 434 L CB -0.421 41.520 42.059 -0.196 0.000 0.890 434 L HN 0.252 nan 8.230 nan 0.000 0.432 435 L N -0.711 120.442 121.223 -0.117 0.000 2.201 435 L HA -0.141 4.199 4.340 -0.000 0.000 0.212 435 L C 2.763 179.627 176.870 -0.009 0.000 1.105 435 L CA 1.438 56.278 54.840 0.000 0.000 0.775 435 L CB -1.300 40.800 42.059 0.069 0.000 0.913 435 L HN 0.273 nan 8.230 nan 0.000 0.440 436 A N -0.568 122.225 122.820 -0.045 0.000 1.877 436 A HA -0.271 4.048 4.320 -0.000 0.000 0.216 436 A C 2.267 179.821 177.584 -0.049 0.000 1.186 436 A CA 1.693 53.709 52.037 -0.035 0.000 0.620 436 A CB -0.485 18.494 19.000 -0.035 0.000 0.822 436 A HN 0.458 nan 8.150 nan 0.000 0.443 437 Q N -1.287 118.436 119.800 -0.129 0.000 1.975 437 Q HA -0.195 4.145 4.340 -0.000 0.000 0.205 437 Q C 1.831 177.832 176.000 0.002 0.000 0.990 437 Q CA 2.013 57.737 55.803 -0.133 0.000 0.845 437 Q CB -0.301 28.250 28.738 -0.313 0.000 0.913 437 Q HN 0.586 nan 8.270 nan 0.000 0.420 438 F N 0.601 120.562 119.950 0.018 0.000 2.250 438 F HA -0.131 4.395 4.527 -0.000 0.000 0.301 438 F C 2.514 178.323 175.800 0.015 0.000 1.077 438 F CA 1.578 59.588 58.000 0.017 0.000 1.348 438 F CB -1.140 37.872 39.000 0.019 0.000 1.040 438 F HN 0.264 nan 8.300 nan 0.000 0.509 439 T N -2.669 111.990 114.554 0.175 0.000 3.129 439 T HA 0.415 4.765 4.350 -0.000 0.000 0.251 439 T C 1.199 175.938 174.700 0.066 0.000 1.117 439 T CA 0.370 62.531 62.100 0.102 0.000 1.034 439 T CB -0.492 68.415 68.868 0.066 0.000 0.968 439 T HN 0.485 nan 8.240 nan 0.000 0.526 440 G N -0.117 108.727 108.800 0.072 0.000 2.623 440 G HA2 0.291 4.250 3.960 -0.000 0.000 0.281 440 G HA3 0.291 4.250 3.960 -0.000 0.000 0.281 440 G C 0.028 174.940 174.900 0.020 0.000 1.087 440 G CA -0.473 44.658 45.100 0.050 0.000 1.244 440 G HN 1.039 nan 8.290 nan 0.000 0.544 441 G N 0.442 109.250 108.800 0.012 0.000 2.798 441 G HA2 1.006 4.966 3.960 -0.000 0.000 0.286 441 G HA3 1.006 4.966 3.960 -0.000 0.000 0.286 441 G C -0.709 174.194 174.900 0.005 0.000 1.389 441 G CA -0.137 44.960 45.100 -0.006 0.000 0.894 441 G HN 1.097 nan 8.290 nan 0.000 0.488 442 K N -0.557 119.847 120.400 0.006 0.000 2.568 442 K HA 0.427 4.746 4.320 -0.000 0.000 0.273 442 K C -3.313 173.307 176.600 0.034 0.000 0.951 442 K CA -1.929 54.374 56.287 0.026 0.000 0.854 442 K CB 1.501 34.022 32.500 0.036 0.000 1.424 442 K HN 0.205 nan 8.250 nan 0.000 0.427 443 P HA -0.043 nan 4.420 nan 0.000 0.257 443 P C 0.904 178.261 177.300 0.096 0.000 1.189 443 P CA -0.182 62.974 63.100 0.094 0.000 0.780 443 P CB 0.232 32.022 31.700 0.150 0.000 0.772 444 L N 5.150 126.393 121.223 0.033 0.000 2.042 444 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 444 L C 1.538 178.510 176.870 0.170 0.000 1.076 444 L CA 2.053 56.913 54.840 0.032 0.000 0.749 444 L CB -1.001 41.011 42.059 -0.079 0.000 0.893 444 L HN 0.323 nan 8.230 nan 0.000 0.432 445 Y N -0.844 119.577 120.300 0.202 0.000 2.639 445 Y HA -0.025 4.525 4.550 -0.001 0.000 0.297 445 Y C 2.578 178.582 175.900 0.173 0.000 1.151 445 Y CA 0.675 58.915 58.100 0.234 0.000 1.335 445 Y CB -0.802 37.857 38.460 0.332 0.000 0.994 445 Y HN 0.269 nan 8.280 nan 0.000 0.548 446 S N -0.881 114.980 115.700 0.268 0.000 2.460 446 S HA 0.084 4.554 4.470 -0.000 0.000 0.226 446 S C 2.301 176.965 174.600 0.107 0.000 1.057 446 S CA 0.506 58.791 58.200 0.141 0.000 0.948 446 S CB -0.251 63.004 63.200 0.092 0.000 0.822 446 S HN 0.393 nan 8.310 nan 0.000 0.512 447 A N 1.420 124.309 122.820 0.114 0.000 2.019 447 A HA 0.018 4.338 4.320 -0.000 0.000 0.219 447 A C 1.940 179.583 177.584 0.098 0.000 1.164 447 A CA 1.074 53.163 52.037 0.087 0.000 0.644 447 A CB -0.625 18.419 19.000 0.074 0.000 0.805 447 A HN 0.480 nan 8.150 nan 0.000 0.449 448 I N -1.383 119.277 120.570 0.150 0.000 2.400 448 I HA -0.109 4.061 4.170 -0.000 0.000 0.248 448 I C 2.269 178.448 176.117 0.104 0.000 1.109 448 I CA 0.596 61.986 61.300 0.151 0.000 1.425 448 I CB -0.087 38.062 38.000 0.248 0.000 1.094 448 I HN 0.354 nan 8.210 nan 0.000 0.425 449 L N 1.106 122.390 121.223 0.101 0.000 2.141 449 L HA -0.074 4.266 4.340 -0.000 0.000 0.209 449 L C 2.493 179.377 176.870 0.024 0.000 1.094 449 L CA 1.903 56.773 54.840 0.051 0.000 0.763 449 L CB -0.641 41.441 42.059 0.038 0.000 0.908 449 L HN 0.174 nan 8.230 nan 0.000 0.437 450 A N -0.460 122.376 122.820 0.027 0.000 1.898 450 A HA -0.197 4.122 4.320 -0.000 0.000 0.216 450 A C 2.438 180.031 177.584 0.015 0.000 1.181 450 A CA 1.639 53.682 52.037 0.010 0.000 0.620 450 A CB -0.516 18.493 19.000 0.015 0.000 0.819 450 A HN 0.464 nan 8.150 nan 0.000 0.442 451 R N -1.075 119.441 120.500 0.027 0.000 2.096 451 R HA -0.082 4.258 4.340 -0.000 0.000 0.235 451 R C 2.104 178.412 176.300 0.012 0.000 1.127 451 R CA 1.765 57.877 56.100 0.020 0.000 0.968 451 R CB -0.492 29.824 30.300 0.027 0.000 0.861 451 R HN 0.521 nan 8.270 nan 0.000 0.440 452 T N 0.994 115.559 114.554 0.018 0.000 2.896 452 T HA 0.041 4.391 4.350 -0.000 0.000 0.263 452 T C 1.715 176.418 174.700 0.005 0.000 1.050 452 T CA 0.714 62.821 62.100 0.012 0.000 1.140 452 T CB 0.094 68.972 68.868 0.017 0.000 0.877 452 T HN 0.124 nan 8.240 nan 0.000 0.457 453 L N 0.565 121.788 121.223 0.001 0.000 2.341 453 L HA 0.200 4.540 4.340 -0.000 0.000 0.214 453 L C 2.688 179.556 176.870 -0.003 0.000 1.115 453 L CA 0.440 55.277 54.840 -0.005 0.000 0.820 453 L CB -0.384 41.666 42.059 -0.015 0.000 0.944 453 L HN 0.201 nan 8.230 nan 0.000 0.452 454 A N -0.354 122.466 122.820 -0.000 0.000 2.169 454 A HA -0.053 4.267 4.320 -0.000 0.000 0.212 454 A C 2.114 179.698 177.584 0.000 0.000 1.153 454 A CA 0.752 52.790 52.037 0.001 0.000 0.756 454 A CB -0.072 18.930 19.000 0.004 0.000 0.813 454 A HN 0.260 nan 8.150 nan 0.000 0.471 455 K N -1.120 119.280 120.400 -0.001 0.000 2.354 455 K HA 0.102 4.422 4.320 -0.000 0.000 0.194 455 K C 1.955 178.556 176.600 0.002 0.000 1.038 455 K CA 0.233 56.519 56.287 -0.002 0.000 1.052 455 K CB 0.191 32.686 32.500 -0.008 0.000 0.861 455 K HN 0.499 nan 8.250 nan 0.000 0.535 456 Q N 0.774 120.575 119.800 0.002 0.000 2.163 456 Q HA -0.101 4.238 4.340 -0.000 0.000 0.198 456 Q C 1.644 177.647 176.000 0.005 0.000 0.954 456 Q CA 1.214 57.019 55.803 0.004 0.000 0.851 456 Q CB 0.455 29.195 28.738 0.003 0.000 0.928 456 Q HN 0.282 nan 8.270 nan 0.000 0.459 457 E N -0.838 119.364 120.200 0.004 0.000 2.162 457 E HA 0.113 4.462 4.350 -0.000 0.000 0.193 457 E C 0.000 176.604 176.600 0.006 0.000 0.953 457 E CA 0.317 56.720 56.400 0.005 0.000 0.849 457 E CB 0.448 30.151 29.700 0.005 0.000 0.810 457 E HN 0.241 nan 8.360 nan 0.000 0.470 458 A N 0.000 122.823 122.820 0.005 0.000 2.254 458 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 458 A CA 0.000 52.040 52.037 0.005 0.000 0.836 458 A CB 0.000 19.003 19.000 0.005 0.000 0.831 458 A HN 0.000 nan 8.150 nan 0.000 0.486