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 2vh4_1_A DATA FIRST_RESID 43 DATA SEQUENCE DRIKANPVSE KNIDEKFIYN TADFSIELFK NSIDDKENSL ISPLSAMLAL DATA SEQUENCE AMTANGADNE TLAQMEKALG KDISIEDLNK YLYTYMKKLP NEEKSKLTIA DATA SEQUENCE NSIWFKENDF MPSKDFLQII ADYYKADIFK AAFDSSTVSD INNWVKSKTN DATA SEQUENCE GMIDKILNKI DPEDVMYLIN AVAFDAEWET VYEKASVHED IFTDVYGNRQ DATA SEQUENCE KVEFMNSEEN LYIEEENAIG FVKPYAKNHY SFVAILPDEN ISVNEYIKTL DATA SEQUENCE TGQKFIDLIK NAKITLVRAS LPKFKYEYTI KMNETLESLG MTDAFLPDKA DATA SEQUENCE DFSKLGKSDI GNLYISEVLH KTFISVDELG TKAGAVTSVD ITAAGIPVNF DATA SEQUENCE KTVKLNRPFI FAIIDNSTNL PIFIGTVLSL 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 43 D HA 0.000 nan 4.640 nan 0.000 0.175 43 D C 0.000 176.284 176.300 -0.026 0.000 2.045 43 D CA 0.000 53.976 54.000 -0.039 0.000 0.868 43 D CB 0.000 40.779 40.800 -0.034 0.000 0.688 44 R N 0.557 121.045 120.500 -0.020 0.000 2.052 44 R HA 0.353 4.694 4.340 0.001 0.000 0.224 44 R C 0.001 176.288 176.300 -0.022 0.000 1.149 44 R CA 0.592 56.686 56.100 -0.010 0.000 0.962 44 R CB -0.275 30.031 30.300 0.009 0.000 0.856 44 R HN 0.128 nan 8.270 nan 0.000 0.433 45 I N 2.557 123.110 120.570 -0.029 0.000 2.494 45 I HA 0.019 4.190 4.170 0.001 0.000 0.289 45 I C -0.309 175.777 176.117 -0.052 0.000 1.106 45 I CA 0.754 62.028 61.300 -0.043 0.000 1.369 45 I CB 0.780 38.748 38.000 -0.052 0.000 1.410 45 I HN 0.039 nan 8.210 nan 0.000 0.523 46 K N 6.175 126.546 120.400 -0.049 0.000 2.263 46 K HA 0.655 4.975 4.320 0.001 0.000 0.272 46 K C -0.042 176.522 176.600 -0.059 0.000 1.033 46 K CA -0.679 55.579 56.287 -0.048 0.000 0.884 46 K CB 1.295 33.772 32.500 -0.040 0.000 1.107 46 K HN 0.661 nan 8.250 nan 0.000 0.460 47 A N 4.145 126.930 122.820 -0.059 0.000 2.546 47 A HA -0.017 4.303 4.320 0.001 0.000 0.243 47 A C -0.178 177.354 177.584 -0.088 0.000 1.063 47 A CA 0.096 52.089 52.037 -0.074 0.000 0.757 47 A CB -0.045 18.925 19.000 -0.050 0.000 0.991 47 A HN 0.768 nan 8.150 nan 0.000 0.503 48 N N 2.292 120.915 118.700 -0.128 0.000 2.456 48 N HA 0.397 5.138 4.740 0.001 0.000 0.296 48 N C -2.759 172.640 175.510 -0.185 0.000 1.102 48 N CA -1.226 51.742 53.050 -0.138 0.000 0.924 48 N CB 1.186 39.588 38.487 -0.141 0.000 1.186 48 N HN 0.365 nan 8.380 nan 0.000 0.492 49 P HA -0.002 nan 4.420 nan 0.000 0.265 49 P C -0.531 176.610 177.300 -0.264 0.000 1.193 49 P CA -0.090 62.910 63.100 -0.166 0.000 0.765 49 P CB 0.618 32.259 31.700 -0.098 0.000 0.823 50 V N -0.365 119.321 119.914 -0.380 0.000 3.074 50 V HA 0.628 4.749 4.120 0.001 0.000 0.314 50 V C -0.146 175.768 176.094 -0.300 0.000 1.117 50 V CA -0.878 61.138 62.300 -0.474 0.000 1.014 50 V CB 2.026 33.284 31.823 -0.941 0.000 1.057 50 V HN 0.343 nan 8.190 nan 0.000 0.438 51 S N 1.315 116.912 115.700 -0.172 0.000 2.565 51 S HA 0.356 4.827 4.470 0.001 0.000 0.274 51 S C -0.035 174.572 174.600 0.013 0.000 1.309 51 S CA -0.419 57.749 58.200 -0.054 0.000 1.043 51 S CB 0.456 63.638 63.200 -0.031 0.000 0.939 51 S HN 0.850 nan 8.310 nan 0.000 0.504 52 E N 1.494 121.745 120.200 0.085 0.000 2.373 52 E HA 0.197 4.548 4.350 0.001 0.000 0.263 52 E C -0.215 176.402 176.600 0.029 0.000 1.073 52 E CA -0.153 56.330 56.400 0.138 0.000 0.894 52 E CB 0.622 30.397 29.700 0.125 0.000 1.008 52 E HN 0.315 nan 8.360 nan 0.000 0.420 53 K N 2.551 122.940 120.400 -0.017 0.000 2.559 53 K HA 0.179 4.500 4.320 0.001 0.000 0.249 53 K C -1.006 175.560 176.600 -0.057 0.000 0.958 53 K CA -0.729 55.475 56.287 -0.138 0.000 0.901 53 K CB 0.586 32.834 32.500 -0.420 0.000 1.124 53 K HN 0.348 nan 8.250 nan 0.000 0.437 54 N N 3.683 122.387 118.700 0.007 0.000 2.357 54 N HA -0.069 4.671 4.740 0.001 0.000 0.257 54 N C 0.096 175.697 175.510 0.150 0.000 1.250 54 N CA 0.282 53.372 53.050 0.066 0.000 0.862 54 N CB 0.314 38.840 38.487 0.064 0.000 1.066 54 N HN 0.463 nan 8.380 nan 0.000 0.468 55 I N 2.427 123.076 120.570 0.131 0.000 2.710 55 I HA -0.055 4.116 4.170 0.001 0.000 0.286 55 I C 0.739 176.963 176.117 0.178 0.000 1.181 55 I CA 0.267 61.651 61.300 0.140 0.000 1.430 55 I CB -0.383 37.675 38.000 0.098 0.000 1.367 55 I HN 0.592 nan 8.210 nan 0.000 0.577 56 D N 3.755 124.281 120.400 0.210 0.000 2.652 56 D HA 0.242 4.883 4.640 0.001 0.000 0.285 56 D C 0.388 176.797 176.300 0.181 0.000 1.173 56 D CA -0.664 53.450 54.000 0.191 0.000 0.981 56 D CB 0.593 41.525 40.800 0.219 0.000 1.440 56 D HN 0.391 nan 8.370 nan 0.000 0.485 57 E N -0.288 120.027 120.200 0.191 0.000 2.085 57 E HA -0.246 4.105 4.350 0.001 0.000 0.194 57 E C 1.556 178.318 176.600 0.269 0.000 0.994 57 E CA 1.195 57.762 56.400 0.277 0.000 0.801 57 E CB 0.025 29.861 29.700 0.227 0.000 0.743 57 E HN 0.465 nan 8.360 nan 0.000 0.453 58 K N 0.533 121.029 120.400 0.160 0.000 2.009 58 K HA -0.208 4.113 4.320 0.001 0.000 0.210 58 K C 2.068 178.657 176.600 -0.019 0.000 1.049 58 K CA 1.449 57.792 56.287 0.095 0.000 0.929 58 K CB -0.273 32.297 32.500 0.117 0.000 0.714 58 K HN 0.045 nan 8.250 nan 0.000 0.440 59 F N 1.502 121.258 119.950 -0.324 0.000 2.102 59 F HA -0.124 4.404 4.527 0.001 0.000 0.298 59 F C 1.817 177.429 175.800 -0.313 0.000 1.105 59 F CA 1.353 59.017 58.000 -0.560 0.000 1.239 59 F CB -0.163 38.261 39.000 -0.961 0.000 0.991 59 F HN 0.001 nan 8.300 nan 0.000 0.474 60 I N -0.816 119.669 120.570 -0.140 0.000 2.127 60 I HA -0.380 3.791 4.170 0.001 0.000 0.241 60 I C 2.102 178.009 176.117 -0.351 0.000 1.075 60 I CA 1.844 62.989 61.300 -0.259 0.000 1.334 60 I CB -0.677 37.219 38.000 -0.172 0.000 1.040 60 I HN 0.130 nan 8.210 nan 0.000 0.405 61 Y N 0.366 120.586 120.300 -0.133 0.000 2.337 61 Y HA -0.136 4.414 4.550 0.001 0.000 0.293 61 Y C 2.387 178.209 175.900 -0.130 0.000 1.123 61 Y CA 1.023 59.065 58.100 -0.097 0.000 1.201 61 Y CB -0.379 38.053 38.460 -0.047 0.000 1.011 61 Y HN 0.193 nan 8.280 nan 0.000 0.545 62 N N -0.893 117.774 118.700 -0.053 0.000 2.171 62 N HA -0.113 4.628 4.740 0.001 0.000 0.184 62 N C 1.716 177.120 175.510 -0.176 0.000 1.021 62 N CA 1.828 54.818 53.050 -0.100 0.000 0.854 62 N CB -0.562 37.853 38.487 -0.120 0.000 0.994 62 N HN 0.181 nan 8.380 nan 0.000 0.426 63 T N 0.063 114.377 114.554 -0.400 0.000 2.951 63 T HA 0.077 4.427 4.350 0.001 0.000 0.268 63 T C 1.880 176.456 174.700 -0.206 0.000 1.073 63 T CA 0.943 62.791 62.100 -0.421 0.000 1.134 63 T CB -0.218 68.065 68.868 -0.975 0.000 0.884 63 T HN 0.274 nan 8.240 nan 0.000 0.479 64 A N 1.774 124.460 122.820 -0.223 0.000 1.902 64 A HA -0.145 4.176 4.320 0.001 0.000 0.217 64 A C 2.081 179.605 177.584 -0.100 0.000 1.181 64 A CA 1.986 53.928 52.037 -0.159 0.000 0.623 64 A CB -0.782 18.133 19.000 -0.141 0.000 0.818 64 A HN 0.485 nan 8.150 nan 0.000 0.443 65 D N -1.409 118.967 120.400 -0.040 0.000 2.097 65 D HA -0.171 4.470 4.640 0.001 0.000 0.195 65 D C 1.666 177.964 176.300 -0.004 0.000 0.989 65 D CA 1.567 55.562 54.000 -0.009 0.000 0.827 65 D CB -0.253 40.560 40.800 0.022 0.000 0.966 65 D HN 0.394 nan 8.370 nan 0.000 0.456 66 F N 0.772 120.653 119.950 -0.115 0.000 2.095 66 F HA -0.170 4.357 4.527 0.001 0.000 0.298 66 F C 2.343 178.079 175.800 -0.106 0.000 1.104 66 F CA 1.678 59.618 58.000 -0.099 0.000 1.232 66 F CB -0.550 38.386 39.000 -0.107 0.000 0.987 66 F HN -0.111 nan 8.300 nan 0.000 0.475 67 S N 1.162 116.725 115.700 -0.230 0.000 2.353 67 S HA -0.182 4.288 4.470 0.001 0.000 0.222 67 S C 2.008 176.398 174.600 -0.349 0.000 1.035 67 S CA 1.595 59.585 58.200 -0.350 0.000 1.025 67 S CB -0.491 62.560 63.200 -0.247 0.000 0.902 67 S HN 0.325 nan 8.310 nan 0.000 0.440 68 I N 1.848 122.245 120.570 -0.287 0.000 2.315 68 I HA -0.069 4.102 4.170 0.001 0.000 0.248 68 I C 2.383 178.430 176.117 -0.116 0.000 1.117 68 I CA 1.170 62.353 61.300 -0.196 0.000 1.404 68 I CB -1.406 36.487 38.000 -0.179 0.000 1.071 68 I HN 0.250 nan 8.210 nan 0.000 0.419 69 E N 0.461 120.559 120.200 -0.169 0.000 2.106 69 E HA -0.193 4.158 4.350 0.001 0.000 0.192 69 E C 2.235 178.703 176.600 -0.220 0.000 0.984 69 E CA 0.779 57.083 56.400 -0.160 0.000 0.806 69 E CB -0.474 29.152 29.700 -0.123 0.000 0.750 69 E HN 0.318 nan 8.360 nan 0.000 0.458 70 L N 0.470 121.460 121.223 -0.389 0.000 2.046 70 L HA -0.157 4.183 4.340 0.001 0.000 0.208 70 L C 2.253 179.010 176.870 -0.188 0.000 1.077 70 L CA 1.374 55.971 54.840 -0.404 0.000 0.747 70 L CB -0.566 41.049 42.059 -0.740 0.000 0.896 70 L HN 0.017 nan 8.230 nan 0.000 0.432 71 F N 1.355 121.127 119.950 -0.298 0.000 2.051 71 F HA -0.249 4.279 4.527 0.001 0.000 0.296 71 F C 2.489 178.196 175.800 -0.155 0.000 1.122 71 F CA 2.361 60.231 58.000 -0.217 0.000 1.201 71 F CB -0.604 38.246 39.000 -0.251 0.000 0.978 71 F HN 0.236 nan 8.300 nan 0.000 0.472 72 K N -0.324 119.904 120.400 -0.287 0.000 2.362 72 K HA -0.122 4.199 4.320 0.001 0.000 0.200 72 K C 1.071 177.514 176.600 -0.262 0.000 1.046 72 K CA 1.860 57.932 56.287 -0.358 0.000 0.952 72 K CB -0.707 31.682 32.500 -0.185 0.000 0.753 72 K HN 0.365 nan 8.250 nan 0.000 0.466 73 N N 0.143 118.722 118.700 -0.201 0.000 2.299 73 N HA 0.070 4.811 4.740 0.001 0.000 0.187 73 N C 0.875 176.309 175.510 -0.126 0.000 1.099 73 N CA 0.085 53.050 53.050 -0.142 0.000 0.867 73 N CB 0.774 39.198 38.487 -0.104 0.000 0.974 73 N HN 0.098 nan 8.380 nan 0.000 0.477 74 S N 0.754 116.360 115.700 -0.155 0.000 2.404 74 S HA 0.121 4.592 4.470 0.001 0.000 0.223 74 S C 0.880 175.437 174.600 -0.072 0.000 1.040 74 S CA -0.063 58.092 58.200 -0.074 0.000 0.957 74 S CB -0.149 63.040 63.200 -0.018 0.000 0.826 74 S HN 0.372 nan 8.310 nan 0.000 0.491 75 I N 2.273 122.701 120.570 -0.236 0.000 2.752 75 I HA 0.262 4.432 4.170 0.001 0.000 0.287 75 I C -0.029 176.034 176.117 -0.090 0.000 1.188 75 I CA -0.372 60.801 61.300 -0.211 0.000 1.427 75 I CB 0.382 38.133 38.000 -0.415 0.000 1.365 75 I HN 0.117 nan 8.210 nan 0.000 0.585 76 D N 3.641 124.032 120.400 -0.014 0.000 3.076 76 D HA 0.080 4.721 4.640 0.001 0.000 0.301 76 D C 0.458 176.776 176.300 0.029 0.000 1.260 76 D CA 0.052 54.062 54.000 0.017 0.000 1.027 76 D CB -0.373 40.462 40.800 0.058 0.000 1.370 76 D HN 0.681 nan 8.370 nan 0.000 0.602 77 D N -0.094 120.335 120.400 0.048 0.000 2.263 77 D HA -0.153 4.488 4.640 0.001 0.000 0.208 77 D C -0.204 176.139 176.300 0.071 0.000 0.971 77 D CA 0.522 54.556 54.000 0.057 0.000 0.867 77 D CB -0.053 40.783 40.800 0.060 0.000 0.929 77 D HN 0.252 nan 8.370 nan 0.000 0.492 78 K N 1.328 121.781 120.400 0.087 0.000 2.436 78 K HA -0.002 4.318 4.320 0.001 0.000 0.282 78 K C 1.120 177.741 176.600 0.035 0.000 1.044 78 K CA -0.031 56.313 56.287 0.095 0.000 1.028 78 K CB 1.314 33.941 32.500 0.211 0.000 0.919 78 K HN 0.128 nan 8.250 nan 0.000 0.474 79 E N 2.782 122.993 120.200 0.018 0.000 2.028 79 E HA -0.156 4.195 4.350 0.001 0.000 0.191 79 E C -0.174 176.355 176.600 -0.118 0.000 0.988 79 E CA 0.875 57.267 56.400 -0.013 0.000 0.799 79 E CB 0.300 30.015 29.700 0.024 0.000 0.755 79 E HN 0.450 nan 8.360 nan 0.000 0.447 80 N N 1.108 119.663 118.700 -0.241 0.000 2.422 80 N HA 0.092 4.832 4.740 0.001 0.000 0.264 80 N C -1.034 174.191 175.510 -0.476 0.000 1.063 80 N CA 0.078 52.768 53.050 -0.598 0.000 0.959 80 N CB 1.627 39.413 38.487 -1.168 0.000 1.087 80 N HN 0.106 nan 8.380 nan 0.000 0.483 81 S N 1.472 116.906 115.700 -0.443 0.000 2.588 81 S HA 0.792 5.262 4.470 0.001 0.000 0.275 81 S C -1.183 173.202 174.600 -0.359 0.000 1.130 81 S CA -0.863 56.830 58.200 -0.845 0.000 0.855 81 S CB 1.963 64.720 63.200 -0.739 0.000 1.116 81 S HN 0.335 nan 8.310 nan 0.000 0.472 82 L N 1.853 122.776 121.223 -0.500 0.000 2.588 82 L HA 0.727 5.068 4.340 0.001 0.000 0.263 82 L C -1.574 175.476 176.870 0.299 0.000 0.935 82 L CA -0.480 54.413 54.840 0.088 0.000 0.891 82 L CB 1.619 43.867 42.059 0.316 0.000 1.318 82 L HN 1.001 nan 8.230 nan 0.000 0.409 83 I N 0.658 121.414 120.570 0.309 0.000 2.740 83 I HA 0.803 4.974 4.170 0.001 0.000 0.303 83 I C -0.724 175.577 176.117 0.308 0.000 1.044 83 I CA -0.562 60.997 61.300 0.432 0.000 1.064 83 I CB 2.394 40.545 38.000 0.251 0.000 1.249 83 I HN 0.576 nan 8.210 nan 0.000 0.433 84 S N 4.588 120.511 115.700 0.371 0.000 2.577 84 S HA 0.522 4.992 4.470 0.001 0.000 0.294 84 S C -1.895 172.690 174.600 -0.025 0.000 1.161 84 S CA -1.487 56.643 58.200 -0.117 0.000 1.143 84 S CB 0.700 63.631 63.200 -0.449 0.000 0.991 84 S HN 0.591 nan 8.310 nan 0.000 0.475 85 P HA -0.109 nan 4.420 nan 0.000 0.218 85 P C 1.534 178.936 177.300 0.170 0.000 1.148 85 P CA 0.414 63.531 63.100 0.029 0.000 0.822 85 P CB 0.133 31.800 31.700 -0.054 0.000 0.784 86 L N -0.517 120.755 121.223 0.081 0.000 2.017 86 L HA -0.139 4.202 4.340 0.001 0.000 0.208 86 L C 2.415 179.383 176.870 0.163 0.000 1.073 86 L CA 2.153 57.080 54.840 0.145 0.000 0.745 86 L CB -1.661 40.482 42.059 0.140 0.000 0.894 86 L HN -0.091 nan 8.230 nan 0.000 0.432 87 S N -0.891 114.885 115.700 0.126 0.000 2.356 87 S HA -0.157 4.314 4.470 0.001 0.000 0.223 87 S C 2.116 176.855 174.600 0.232 0.000 1.032 87 S CA 1.282 59.599 58.200 0.196 0.000 1.005 87 S CB -0.497 62.840 63.200 0.228 0.000 0.867 87 S HN 0.677 nan 8.310 nan 0.000 0.449 88 A N 1.280 124.223 122.820 0.206 0.000 1.898 88 A HA -0.012 4.309 4.320 0.001 0.000 0.216 88 A C 2.160 179.864 177.584 0.201 0.000 1.181 88 A CA 1.872 54.018 52.037 0.182 0.000 0.620 88 A CB -0.789 18.250 19.000 0.065 0.000 0.819 88 A HN 0.642 nan 8.150 nan 0.000 0.442 89 M N 0.117 119.838 119.600 0.201 0.000 2.073 89 M HA -0.155 4.326 4.480 0.001 0.000 0.258 89 M C 1.835 178.183 176.300 0.080 0.000 1.070 89 M CA 1.924 57.226 55.300 0.004 0.000 1.103 89 M CB -0.716 31.877 32.600 -0.012 0.000 1.321 89 M HN 0.333 nan 8.290 nan 0.000 0.405 90 L N -0.374 120.957 121.223 0.179 0.000 2.027 90 L HA -0.121 4.220 4.340 0.001 0.000 0.206 90 L C 2.621 179.576 176.870 0.141 0.000 1.074 90 L CA 1.212 56.199 54.840 0.245 0.000 0.745 90 L CB -1.172 41.072 42.059 0.309 0.000 0.898 90 L HN 0.494 nan 8.230 nan 0.000 0.433 91 A N -0.082 122.826 122.820 0.147 0.000 1.933 91 A HA -0.144 4.177 4.320 0.001 0.000 0.218 91 A C 2.231 179.857 177.584 0.070 0.000 1.175 91 A CA 1.467 53.574 52.037 0.116 0.000 0.628 91 A CB -0.623 18.477 19.000 0.167 0.000 0.814 91 A HN 0.377 nan 8.150 nan 0.000 0.444 92 L N -1.172 120.098 121.223 0.078 0.000 2.179 92 L HA -0.044 4.297 4.340 0.001 0.000 0.208 92 L C 3.000 179.888 176.870 0.030 0.000 1.096 92 L CA 0.727 55.603 54.840 0.060 0.000 0.779 92 L CB -0.404 41.701 42.059 0.077 0.000 0.922 92 L HN 0.405 nan 8.230 nan 0.000 0.443 93 A N -0.081 122.749 122.820 0.018 0.000 1.898 93 A HA -0.205 4.115 4.320 0.001 0.000 0.216 93 A C 2.335 179.877 177.584 -0.071 0.000 1.181 93 A CA 1.470 53.529 52.037 0.037 0.000 0.620 93 A CB -0.407 18.701 19.000 0.181 0.000 0.819 93 A HN 0.293 nan 8.150 nan 0.000 0.442 94 M N -0.696 118.738 119.600 -0.277 0.000 2.108 94 M HA -0.143 4.338 4.480 0.001 0.000 0.261 94 M C 2.178 178.517 176.300 0.066 0.000 1.066 94 M CA 2.073 57.163 55.300 -0.351 0.000 1.107 94 M CB -0.740 31.654 32.600 -0.343 0.000 1.356 94 M HN 0.462 nan 8.290 nan 0.000 0.406 95 T N 0.587 115.186 114.554 0.075 0.000 2.857 95 T HA 0.003 4.354 4.350 0.001 0.000 0.266 95 T C 1.882 176.698 174.700 0.193 0.000 1.048 95 T CA 1.256 63.420 62.100 0.106 0.000 1.139 95 T CB -0.318 68.554 68.868 0.007 0.000 0.874 95 T HN 0.483 nan 8.240 nan 0.000 0.455 96 A N 2.576 125.489 122.820 0.156 0.000 1.986 96 A HA -0.182 4.139 4.320 0.001 0.000 0.220 96 A C 2.155 179.831 177.584 0.153 0.000 1.171 96 A CA 1.342 53.463 52.037 0.140 0.000 0.640 96 A CB -0.632 18.417 19.000 0.082 0.000 0.811 96 A HN 0.426 nan 8.150 nan 0.000 0.451 97 N N -0.241 118.592 118.700 0.223 0.000 2.520 97 N HA -0.092 4.649 4.740 0.001 0.000 0.185 97 N C 1.473 177.172 175.510 0.316 0.000 1.068 97 N CA 1.124 54.354 53.050 0.300 0.000 0.911 97 N CB -0.147 38.559 38.487 0.366 0.000 0.961 97 N HN 0.543 nan 8.380 nan 0.000 0.446 98 G N -0.677 108.205 108.800 0.136 0.000 3.126 98 G HA2 0.353 4.314 3.960 0.001 0.000 0.224 98 G HA3 0.353 4.314 3.960 0.001 0.000 0.224 98 G C 0.378 175.318 174.900 0.066 0.000 1.142 98 G CA 0.056 45.078 45.100 -0.130 0.000 0.759 98 G HN 0.293 nan 8.290 nan 0.000 0.550 99 A N -0.001 122.855 122.820 0.060 0.000 2.302 99 A HA 0.640 4.961 4.320 0.001 0.000 0.285 99 A C -0.839 176.664 177.584 -0.134 0.000 1.105 99 A CA -0.289 51.633 52.037 -0.191 0.000 0.816 99 A CB 1.121 19.951 19.000 -0.284 0.000 1.067 99 A HN 0.130 nan 8.150 nan 0.000 0.489 100 D N -0.381 119.904 120.400 -0.191 0.000 2.552 100 D HA 0.373 5.013 4.640 0.001 0.000 0.239 100 D C 0.288 176.512 176.300 -0.125 0.000 1.139 100 D CA 0.055 53.987 54.000 -0.113 0.000 0.914 100 D CB 1.066 41.819 40.800 -0.078 0.000 1.461 100 D HN 0.617 nan 8.370 nan 0.000 0.462 101 N N 0.649 119.300 118.700 -0.081 0.000 1.222 101 N HA -0.317 4.424 4.740 0.001 0.000 0.134 101 N C 0.900 176.363 175.510 -0.078 0.000 0.787 101 N CA 1.368 54.376 53.050 -0.070 0.000 0.929 101 N CB -0.870 37.575 38.487 -0.069 0.000 1.170 101 N HN 0.576 nan 8.380 nan 0.000 0.541 102 E N 0.901 121.051 120.200 -0.083 0.000 2.152 102 E HA 0.058 4.409 4.350 0.001 0.000 0.192 102 E C 1.682 178.220 176.600 -0.103 0.000 0.983 102 E CA 2.076 58.432 56.400 -0.074 0.000 0.818 102 E CB -0.356 29.309 29.700 -0.059 0.000 0.758 102 E HN 0.544 nan 8.360 nan 0.000 0.467 103 T N 0.992 115.444 114.554 -0.169 0.000 2.746 103 T HA -0.138 4.212 4.350 0.001 0.000 0.267 103 T C 1.643 176.213 174.700 -0.216 0.000 1.039 103 T CA 1.215 63.161 62.100 -0.256 0.000 1.142 103 T CB -0.319 68.253 68.868 -0.493 0.000 0.866 103 T HN 0.136 nan 8.240 nan 0.000 0.444 104 L N 1.627 122.741 121.223 -0.182 0.000 1.994 104 L HA 0.107 4.448 4.340 0.001 0.000 0.208 104 L C 2.631 179.468 176.870 -0.056 0.000 1.071 104 L CA 2.051 56.829 54.840 -0.103 0.000 0.745 104 L CB -1.211 40.803 42.059 -0.075 0.000 0.892 104 L HN 0.209 nan 8.230 nan 0.000 0.431 105 A N -1.127 121.663 122.820 -0.050 0.000 1.908 105 A HA -0.281 4.040 4.320 0.001 0.000 0.218 105 A C 2.225 179.800 177.584 -0.015 0.000 1.181 105 A CA 1.963 53.985 52.037 -0.025 0.000 0.627 105 A CB -0.660 18.325 19.000 -0.024 0.000 0.818 105 A HN 0.686 nan 8.150 nan 0.000 0.445 106 Q N -1.177 118.609 119.800 -0.023 0.000 2.124 106 Q HA -0.112 4.229 4.340 0.001 0.000 0.202 106 Q C 2.207 178.216 176.000 0.016 0.000 0.977 106 Q CA 1.710 57.513 55.803 -0.000 0.000 0.850 106 Q CB -0.223 28.514 28.738 -0.002 0.000 0.901 106 Q HN 0.734 nan 8.270 nan 0.000 0.429 107 M N -0.126 119.474 119.600 -0.001 0.000 2.156 107 M HA -0.136 4.345 4.480 0.001 0.000 0.264 107 M C 1.819 178.125 176.300 0.011 0.000 1.067 107 M CA 1.291 56.600 55.300 0.016 0.000 1.131 107 M CB -0.128 32.478 32.600 0.011 0.000 1.368 107 M HN 0.163 nan 8.290 nan 0.000 0.416 108 E N 0.586 120.789 120.200 0.005 0.000 2.058 108 E HA -0.264 4.087 4.350 0.001 0.000 0.194 108 E C 1.958 178.563 176.600 0.008 0.000 0.997 108 E CA 1.433 57.837 56.400 0.007 0.000 0.801 108 E CB -0.137 29.569 29.700 0.011 0.000 0.746 108 E HN 0.268 nan 8.360 nan 0.000 0.450 109 K N 1.103 121.512 120.400 0.016 0.000 2.057 109 K HA -0.114 4.207 4.320 0.001 0.000 0.207 109 K C 1.902 178.528 176.600 0.043 0.000 1.049 109 K CA 1.439 57.741 56.287 0.026 0.000 0.931 109 K CB -0.257 32.258 32.500 0.025 0.000 0.714 109 K HN 0.092 nan 8.250 nan 0.000 0.440 110 A N 0.314 123.169 122.820 0.059 0.000 1.930 110 A HA -0.027 4.294 4.320 0.001 0.000 0.217 110 A C 2.110 179.775 177.584 0.134 0.000 1.175 110 A CA 1.441 53.548 52.037 0.116 0.000 0.627 110 A CB -0.445 18.639 19.000 0.141 0.000 0.815 110 A HN 0.323 nan 8.150 nan 0.000 0.443 111 L N -2.071 119.136 121.223 -0.027 0.000 2.200 111 L HA 0.156 4.496 4.340 0.001 0.000 0.200 111 L C 2.316 179.057 176.870 -0.216 0.000 1.072 111 L CA 0.999 55.663 54.840 -0.293 0.000 0.787 111 L CB -0.166 41.706 42.059 -0.311 0.000 0.957 111 L HN 0.449 nan 8.230 nan 0.000 0.459 112 G N -2.205 106.544 108.800 -0.086 0.000 3.377 112 G HA2 0.141 4.101 3.960 0.001 0.000 0.257 112 G HA3 0.141 4.101 3.960 0.001 0.000 0.257 112 G C 0.769 175.662 174.900 -0.011 0.000 1.038 112 G CA -0.113 44.954 45.100 -0.055 0.000 0.809 112 G HN 0.061 nan 8.290 nan 0.000 0.526 113 K N 0.256 120.660 120.400 0.007 0.000 10.479 113 K HA -0.266 4.054 4.320 0.001 0.000 0.489 113 K C 1.156 177.769 176.600 0.022 0.000 0.452 113 K CA 2.413 58.712 56.287 0.020 0.000 1.755 113 K CB -1.148 31.362 32.500 0.017 0.000 0.798 113 K HN 0.504 nan 8.250 nan 0.000 1.199 114 D N 0.610 121.026 120.400 0.027 0.000 2.469 114 D HA 0.142 4.783 4.640 0.001 0.000 0.213 114 D C 0.447 176.779 176.300 0.053 0.000 1.135 114 D CA -0.074 53.946 54.000 0.034 0.000 0.834 114 D CB 0.172 40.992 40.800 0.033 0.000 1.009 114 D HN 0.284 nan 8.370 nan 0.000 0.507 115 I N 2.543 123.151 120.570 0.063 0.000 2.416 115 I HA 0.014 4.184 4.170 0.001 0.000 0.288 115 I C 1.089 177.252 176.117 0.077 0.000 1.051 115 I CA -0.388 60.976 61.300 0.106 0.000 1.375 115 I CB 1.327 39.416 38.000 0.149 0.000 1.407 115 I HN -0.005 nan 8.210 nan 0.000 0.516 116 S N 5.559 121.303 115.700 0.072 0.000 2.593 116 S HA 0.123 4.594 4.470 0.001 0.000 0.269 116 S C 1.054 175.683 174.600 0.047 0.000 1.334 116 S CA -0.638 57.589 58.200 0.045 0.000 1.015 116 S CB 1.208 64.426 63.200 0.030 0.000 0.912 116 S HN 0.589 nan 8.310 nan 0.000 0.541 117 I N 1.533 122.124 120.570 0.036 0.000 2.335 117 I HA -0.111 4.060 4.170 0.001 0.000 0.251 117 I C 2.035 178.154 176.117 0.002 0.000 1.129 117 I CA 1.590 62.914 61.300 0.039 0.000 1.402 117 I CB -0.901 37.129 38.000 0.051 0.000 1.069 117 I HN 0.846 nan 8.210 nan 0.000 0.424 118 E N 0.378 120.567 120.200 -0.019 0.000 2.051 118 E HA -0.212 4.139 4.350 0.001 0.000 0.192 118 E C 1.887 178.397 176.600 -0.149 0.000 0.991 118 E CA 1.653 58.003 56.400 -0.083 0.000 0.799 118 E CB -0.317 29.361 29.700 -0.036 0.000 0.748 118 E HN 0.466 nan 8.360 nan 0.000 0.449 119 D N -0.305 120.052 120.400 -0.071 0.000 2.224 119 D HA -0.082 4.559 4.640 0.001 0.000 0.205 119 D C 1.760 178.067 176.300 0.011 0.000 0.965 119 D CA 0.351 54.291 54.000 -0.100 0.000 0.852 119 D CB -0.060 40.732 40.800 -0.013 0.000 0.947 119 D HN 0.053 nan 8.370 nan 0.000 0.494 120 L N 0.934 122.222 121.223 0.109 0.000 2.093 120 L HA -0.082 4.259 4.340 0.001 0.000 0.208 120 L C 1.586 178.491 176.870 0.058 0.000 1.085 120 L CA 1.362 56.323 54.840 0.202 0.000 0.755 120 L CB -0.467 41.685 42.059 0.156 0.000 0.904 120 L HN -0.118 nan 8.230 nan 0.000 0.435 121 N N 0.181 118.790 118.700 -0.151 0.000 2.043 121 N HA -0.215 4.525 4.740 0.001 0.000 0.193 121 N C 1.762 176.889 175.510 -0.639 0.000 1.037 121 N CA 1.702 54.443 53.050 -0.515 0.000 0.851 121 N CB -0.219 37.665 38.487 -1.005 0.000 1.027 121 N HN 0.397 nan 8.380 nan 0.000 0.422 122 K N -0.266 119.808 120.400 -0.543 0.000 2.026 122 K HA -0.098 4.222 4.320 0.001 0.000 0.208 122 K C 2.151 178.709 176.600 -0.070 0.000 1.048 122 K CA 1.086 57.242 56.287 -0.218 0.000 0.929 122 K CB -0.347 32.014 32.500 -0.232 0.000 0.713 122 K HN 0.284 nan 8.250 nan 0.000 0.439 123 Y N 1.143 121.361 120.300 -0.137 0.000 2.128 123 Y HA -0.231 4.319 4.550 0.001 0.000 0.284 123 Y C 2.189 177.898 175.900 -0.319 0.000 1.154 123 Y CA 0.870 58.793 58.100 -0.295 0.000 1.149 123 Y CB -0.054 38.221 38.460 -0.309 0.000 0.976 123 Y HN -0.014 nan 8.280 nan 0.000 0.505 124 L N -1.680 119.572 121.223 0.048 0.000 2.109 124 L HA -0.228 4.113 4.340 0.001 0.000 0.207 124 L C 2.305 179.211 176.870 0.059 0.000 1.086 124 L CA 1.127 56.027 54.840 0.100 0.000 0.760 124 L CB -0.713 41.442 42.059 0.160 0.000 0.910 124 L HN 0.296 nan 8.230 nan 0.000 0.437 125 Y N 1.349 121.579 120.300 -0.116 0.000 2.053 125 Y HA -0.347 4.204 4.550 0.001 0.000 0.277 125 Y C 2.653 178.547 175.900 -0.011 0.000 1.159 125 Y CA 2.442 60.507 58.100 -0.059 0.000 1.125 125 Y CB -0.688 37.805 38.460 0.056 0.000 0.969 125 Y HN 0.078 nan 8.280 nan 0.000 0.492 126 T N -0.121 114.440 114.554 0.010 0.000 2.720 126 T HA -0.288 4.063 4.350 0.001 0.000 0.268 126 T C 1.513 176.169 174.700 -0.072 0.000 1.037 126 T CA 1.837 63.894 62.100 -0.072 0.000 1.144 126 T CB -0.932 67.957 68.868 0.036 0.000 0.864 126 T HN 0.557 nan 8.240 nan 0.000 0.444 127 Y N 1.408 121.607 120.300 -0.169 0.000 2.200 127 Y HA 0.000 4.551 4.550 0.001 0.000 0.290 127 Y C 2.341 178.211 175.900 -0.051 0.000 1.137 127 Y CA 0.962 58.994 58.100 -0.113 0.000 1.163 127 Y CB -0.452 37.936 38.460 -0.120 0.000 0.988 127 Y HN 0.136 nan 8.280 nan 0.000 0.518 128 M N -0.304 119.238 119.600 -0.097 0.000 2.175 128 M HA -0.214 4.267 4.480 0.001 0.000 0.264 128 M C 2.335 178.513 176.300 -0.204 0.000 1.063 128 M CA 1.675 56.886 55.300 -0.149 0.000 1.119 128 M CB -0.287 32.280 32.600 -0.056 0.000 1.377 128 M HN 0.097 nan 8.290 nan 0.000 0.415 129 K N 0.740 120.971 120.400 -0.281 0.000 2.057 129 K HA -0.159 4.162 4.320 0.001 0.000 0.207 129 K C 1.455 177.943 176.600 -0.185 0.000 1.049 129 K CA 1.381 57.496 56.287 -0.285 0.000 0.931 129 K CB 0.155 32.400 32.500 -0.425 0.000 0.714 129 K HN 0.270 nan 8.250 nan 0.000 0.440 130 K N 0.108 120.406 120.400 -0.169 0.000 2.353 130 K HA 0.173 4.494 4.320 0.001 0.000 0.195 130 K C 0.090 176.607 176.600 -0.140 0.000 1.031 130 K CA -0.250 55.964 56.287 -0.122 0.000 1.079 130 K CB 0.417 32.876 32.500 -0.069 0.000 0.857 130 K HN 0.064 nan 8.250 nan 0.000 0.535 131 L N 3.721 124.825 121.223 -0.199 0.000 2.534 131 L HA 0.046 4.387 4.340 0.001 0.000 0.271 131 L C -2.148 174.670 176.870 -0.087 0.000 1.178 131 L CA -1.633 53.110 54.840 -0.163 0.000 0.907 131 L CB -0.054 41.881 42.059 -0.207 0.000 1.164 131 L HN -0.124 nan 8.230 nan 0.000 0.482 132 P HA 0.113 nan 4.420 nan 0.000 0.269 132 P C -1.035 176.244 177.300 -0.036 0.000 1.209 132 P CA -0.202 62.736 63.100 -0.269 0.000 0.776 132 P CB 0.551 31.720 31.700 -0.884 0.000 0.876 133 N N 1.173 119.831 118.700 -0.070 0.000 2.616 133 N HA 0.249 4.989 4.740 0.001 0.000 0.281 133 N C -1.582 173.917 175.510 -0.018 0.000 1.145 133 N CA -0.512 52.536 53.050 -0.004 0.000 0.919 133 N CB 1.165 39.645 38.487 -0.013 0.000 1.509 133 N HN 0.564 nan 8.380 nan 0.000 0.537 134 E N 0.621 120.825 120.200 0.007 0.000 2.439 134 E HA 0.337 4.688 4.350 0.001 0.000 0.279 134 E C -1.208 175.395 176.600 0.005 0.000 1.077 134 E CA -0.904 55.503 56.400 0.012 0.000 0.849 134 E CB 0.658 30.385 29.700 0.045 0.000 1.408 134 E HN 0.162 nan 8.360 nan 0.000 0.457 135 E N 0.810 121.012 120.200 0.002 0.000 2.608 135 E HA -0.081 4.270 4.350 0.001 0.000 0.259 135 E C -0.423 176.174 176.600 -0.005 0.000 0.951 135 E CA 1.429 57.822 56.400 -0.011 0.000 0.945 135 E CB 0.157 29.855 29.700 -0.003 0.000 0.916 135 E HN 0.618 nan 8.360 nan 0.000 0.477 136 K N 0.968 121.342 120.400 -0.043 0.000 3.547 136 K HA -0.223 4.098 4.320 0.001 0.000 0.309 136 K C -0.191 176.367 176.600 -0.070 0.000 1.324 136 K CA 1.109 57.366 56.287 -0.050 0.000 0.988 136 K CB -1.702 30.800 32.500 0.003 0.000 1.261 136 K HN 0.368 nan 8.250 nan 0.000 0.444 137 S N 0.646 116.309 115.700 -0.062 0.000 2.593 137 S HA 0.229 4.700 4.470 0.001 0.000 0.178 137 S C -0.987 173.568 174.600 -0.074 0.000 1.114 137 S CA -0.783 57.403 58.200 -0.023 0.000 1.199 137 S CB 0.350 63.707 63.200 0.262 0.000 1.564 137 S HN 0.189 nan 8.310 nan 0.000 0.407 138 K N 1.573 121.803 120.400 -0.283 0.000 2.234 138 K HA 0.575 4.896 4.320 0.001 0.000 0.282 138 K C -1.009 175.434 176.600 -0.262 0.000 1.039 138 K CA -0.595 55.562 56.287 -0.217 0.000 0.928 138 K CB 1.445 33.821 32.500 -0.207 0.000 1.039 138 K HN 0.372 nan 8.250 nan 0.000 0.470 139 L N 2.393 123.562 121.223 -0.090 0.000 2.476 139 L HA 0.318 4.659 4.340 0.001 0.000 0.269 139 L C -1.025 175.850 176.870 0.009 0.000 0.965 139 L CA -0.021 54.809 54.840 -0.016 0.000 0.845 139 L CB 2.117 44.186 42.059 0.017 0.000 1.259 139 L HN 0.770 nan 8.230 nan 0.000 0.403 140 T N 2.715 117.280 114.554 0.019 0.000 2.887 140 T HA 0.816 5.167 4.350 0.001 0.000 0.288 140 T C -0.385 174.341 174.700 0.043 0.000 1.021 140 T CA -0.633 61.475 62.100 0.013 0.000 1.000 140 T CB 1.680 70.539 68.868 -0.014 0.000 1.034 140 T HN 0.426 nan 8.240 nan 0.000 0.467 141 I N 1.189 121.788 120.570 0.048 0.000 2.533 141 I HA 0.691 4.862 4.170 0.001 0.000 0.290 141 I C -0.455 175.730 176.117 0.114 0.000 1.056 141 I CA -1.254 60.100 61.300 0.091 0.000 1.057 141 I CB 2.047 40.108 38.000 0.103 0.000 1.240 141 I HN 0.993 nan 8.210 nan 0.000 0.423 142 A N 5.488 128.408 122.820 0.167 0.000 2.449 142 A HA 0.796 5.117 4.320 0.001 0.000 0.302 142 A C -1.328 176.562 177.584 0.509 0.000 1.048 142 A CA -0.713 51.483 52.037 0.264 0.000 0.708 142 A CB 1.617 20.653 19.000 0.061 0.000 1.274 142 A HN 0.684 nan 8.150 nan 0.000 0.410 143 N N 0.625 119.648 118.700 0.537 0.000 2.240 143 N HA 0.745 5.486 4.740 0.001 0.000 0.302 143 N C -0.923 174.774 175.510 0.311 0.000 1.106 143 N CA -0.212 53.103 53.050 0.443 0.000 0.778 143 N CB 2.132 40.807 38.487 0.313 0.000 1.431 143 N HN 0.879 nan 8.380 nan 0.000 0.479 144 S N 0.520 116.235 115.700 0.025 0.000 2.556 144 S HA 0.644 5.115 4.470 0.001 0.000 0.271 144 S C -1.285 173.279 174.600 -0.060 0.000 1.135 144 S CA -0.841 57.219 58.200 -0.233 0.000 0.858 144 S CB 1.400 64.110 63.200 -0.817 0.000 1.114 144 S HN 0.307 nan 8.310 nan 0.000 0.468 145 I N 1.763 122.264 120.570 -0.115 0.000 2.406 145 I HA 0.460 4.631 4.170 0.001 0.000 0.290 145 I C -1.448 174.725 176.117 0.093 0.000 0.999 145 I CA -0.503 60.867 61.300 0.117 0.000 1.124 145 I CB 1.269 39.359 38.000 0.149 0.000 1.289 145 I HN 0.820 nan 8.210 nan 0.000 0.441 146 W N 7.716 129.190 121.300 0.289 0.000 2.532 146 W HA 0.608 5.268 4.660 0.001 0.000 0.321 146 W C -0.419 176.453 176.519 0.589 0.000 1.037 146 W CA -0.705 56.861 57.345 0.368 0.000 1.220 146 W CB 1.381 30.974 29.460 0.221 0.000 1.361 146 W HN 0.322 nan 8.180 nan 0.000 0.468 147 F N 0.340 120.647 119.950 0.596 0.000 2.588 147 F HA 0.676 5.204 4.527 0.001 0.000 0.314 147 F C -0.376 175.422 175.800 -0.004 0.000 1.069 147 F CA -2.183 55.987 58.000 0.283 0.000 0.931 147 F CB 1.316 40.484 39.000 0.280 0.000 1.260 147 F HN 0.154 nan 8.300 nan 0.000 0.465 148 K N 2.059 122.212 120.400 -0.411 0.000 2.368 148 K HA 0.062 4.383 4.320 0.001 0.000 0.282 148 K C 1.093 177.711 176.600 0.031 0.000 1.035 148 K CA 0.152 56.133 56.287 -0.510 0.000 0.973 148 K CB 0.807 32.909 32.500 -0.663 0.000 0.957 148 K HN 0.954 nan 8.250 nan 0.000 0.474 149 E N 3.349 123.546 120.200 -0.004 0.000 2.347 149 E HA -0.191 4.160 4.350 0.001 0.000 0.196 149 E C 0.231 176.878 176.600 0.078 0.000 1.008 149 E CA 0.752 57.193 56.400 0.068 0.000 0.852 149 E CB 0.149 29.868 29.700 0.032 0.000 0.783 149 E HN 0.508 nan 8.360 nan 0.000 0.505 150 N N 1.396 120.125 118.700 0.048 0.000 2.358 150 N HA -0.037 4.704 4.740 0.001 0.000 0.209 150 N C 1.102 176.642 175.510 0.051 0.000 1.033 150 N CA 0.714 53.789 53.050 0.041 0.000 1.021 150 N CB -0.238 38.265 38.487 0.027 0.000 1.244 150 N HN 0.097 nan 8.380 nan 0.000 0.523 151 D N -0.266 120.166 120.400 0.052 0.000 2.340 151 D HA 0.060 4.701 4.640 0.001 0.000 0.220 151 D C -0.548 175.830 176.300 0.130 0.000 1.039 151 D CA 0.188 54.227 54.000 0.064 0.000 0.866 151 D CB 0.097 40.923 40.800 0.043 0.000 0.913 151 D HN 0.086 nan 8.370 nan 0.000 0.523 152 F N 1.253 121.180 119.950 -0.039 0.000 2.529 152 F HA 0.438 4.966 4.527 0.001 0.000 0.320 152 F C -1.053 174.736 175.800 -0.017 0.000 1.118 152 F CA -1.300 56.674 58.000 -0.043 0.000 0.915 152 F CB 1.670 40.626 39.000 -0.073 0.000 1.161 152 F HN -0.345 nan 8.300 nan 0.000 0.445 153 M N 9.995 129.101 119.600 -0.822 0.000 2.044 153 M HA 0.491 4.972 4.480 0.001 0.000 0.333 153 M C -2.699 172.881 176.300 -1.201 0.000 1.004 153 M CA -3.075 51.785 55.300 -0.733 0.000 0.954 153 M CB 0.939 33.316 32.600 -0.372 0.000 1.468 153 M HN 0.252 nan 8.290 nan 0.000 0.414 154 P HA 0.110 nan 4.420 nan 0.000 0.272 154 P C -0.779 176.292 177.300 -0.382 0.000 1.223 154 P CA -0.206 62.454 63.100 -0.733 0.000 0.784 154 P CB 0.719 32.008 31.700 -0.686 0.000 0.923 155 S N 1.090 116.688 115.700 -0.169 0.000 2.505 155 S HA 0.047 4.518 4.470 0.001 0.000 0.276 155 S C 1.549 176.144 174.600 -0.008 0.000 1.274 155 S CA -0.394 57.769 58.200 -0.063 0.000 1.053 155 S CB 0.227 63.438 63.200 0.017 0.000 0.919 155 S HN 0.348 nan 8.310 nan 0.000 0.490 156 K N 3.768 124.140 120.400 -0.046 0.000 2.103 156 K HA -0.107 4.214 4.320 0.001 0.000 0.207 156 K C 1.403 177.998 176.600 -0.007 0.000 1.048 156 K CA 2.240 58.505 56.287 -0.038 0.000 0.930 156 K CB -0.878 31.597 32.500 -0.042 0.000 0.716 156 K HN 0.861 nan 8.250 nan 0.000 0.444 157 D N -1.069 119.345 120.400 0.023 0.000 2.144 157 D HA -0.073 4.568 4.640 0.001 0.000 0.200 157 D C 1.692 178.041 176.300 0.082 0.000 0.978 157 D CA 1.272 55.297 54.000 0.041 0.000 0.833 157 D CB -0.197 40.633 40.800 0.050 0.000 0.961 157 D HN 0.400 nan 8.370 nan 0.000 0.470 158 F N 1.663 121.606 119.950 -0.012 0.000 2.113 158 F HA -0.092 4.436 4.527 0.001 0.000 0.297 158 F C 2.175 177.979 175.800 0.006 0.000 1.103 158 F CA 1.007 59.012 58.000 0.008 0.000 1.248 158 F CB -0.472 38.533 39.000 0.008 0.000 0.999 158 F HN -0.160 nan 8.300 nan 0.000 0.475 159 L N -0.022 121.100 121.223 -0.168 0.000 2.127 159 L HA -0.229 4.112 4.340 0.001 0.000 0.211 159 L C 2.504 179.244 176.870 -0.216 0.000 1.089 159 L CA 1.557 56.241 54.840 -0.260 0.000 0.757 159 L CB -0.765 41.231 42.059 -0.105 0.000 0.899 159 L HN 0.270 nan 8.230 nan 0.000 0.434 160 Q N 0.527 120.248 119.800 -0.132 0.000 2.046 160 Q HA -0.188 4.153 4.340 0.001 0.000 0.200 160 Q C 2.099 178.042 176.000 -0.094 0.000 0.975 160 Q CA 1.627 57.372 55.803 -0.097 0.000 0.836 160 Q CB -0.259 28.441 28.738 -0.062 0.000 0.896 160 Q HN 0.482 nan 8.270 nan 0.000 0.428 161 I N -0.261 120.266 120.570 -0.070 0.000 2.493 161 I HA -0.219 3.952 4.170 0.001 0.000 0.254 161 I C 1.235 177.415 176.117 0.105 0.000 1.160 161 I CA 0.569 61.893 61.300 0.041 0.000 1.445 161 I CB 0.059 38.135 38.000 0.126 0.000 1.086 161 I HN 0.257 nan 8.210 nan 0.000 0.433 162 I N 0.967 121.480 120.570 -0.096 0.000 2.233 162 I HA -0.190 3.980 4.170 0.001 0.000 0.243 162 I C 2.805 178.975 176.117 0.088 0.000 1.093 162 I CA 1.569 62.849 61.300 -0.032 0.000 1.380 162 I CB -1.883 35.877 38.000 -0.401 0.000 1.067 162 I HN 0.233 nan 8.210 nan 0.000 0.413 163 A N 0.700 123.499 122.820 -0.035 0.000 1.940 163 A HA -0.227 4.094 4.320 0.001 0.000 0.219 163 A C 1.989 179.562 177.584 -0.019 0.000 1.176 163 A CA 2.035 54.058 52.037 -0.023 0.000 0.631 163 A CB -0.612 18.347 19.000 -0.069 0.000 0.814 163 A HN 0.357 nan 8.150 nan 0.000 0.446 164 D N -1.655 118.695 120.400 -0.084 0.000 2.097 164 D HA -0.107 4.534 4.640 0.001 0.000 0.197 164 D C 1.526 177.632 176.300 -0.322 0.000 0.984 164 D CA 1.484 55.328 54.000 -0.259 0.000 0.826 164 D CB -0.286 40.260 40.800 -0.424 0.000 0.973 164 D HN 0.676 nan 8.370 nan 0.000 0.460 165 Y N -1.951 118.314 120.300 -0.059 0.000 2.509 165 Y HA 0.068 4.619 4.550 0.001 0.000 0.270 165 Y C 1.042 176.817 175.900 -0.209 0.000 1.103 165 Y CA 0.211 58.199 58.100 -0.188 0.000 1.278 165 Y CB 0.421 38.695 38.460 -0.309 0.000 1.087 165 Y HN -0.026 nan 8.280 nan 0.000 0.542 166 Y N -0.849 119.597 120.300 0.244 0.000 2.500 166 Y HA 0.283 4.834 4.550 0.001 0.000 0.246 166 Y C 1.390 177.379 175.900 0.149 0.000 1.146 166 Y CA -0.023 58.195 58.100 0.197 0.000 1.230 166 Y CB 0.205 38.753 38.460 0.146 0.000 1.214 166 Y HN -0.111 nan 8.280 nan 0.000 0.526 167 K N 0.502 121.034 120.400 0.221 0.000 3.012 167 K HA -0.098 4.223 4.320 0.001 0.000 0.259 167 K C 0.263 176.942 176.600 0.130 0.000 0.989 167 K CA 0.748 57.121 56.287 0.144 0.000 0.728 167 K CB -2.597 29.984 32.500 0.134 0.000 1.260 167 K HN 0.673 nan 8.250 nan 0.000 0.480 168 A N 1.288 124.176 122.820 0.113 0.000 2.425 168 A HA 0.487 4.808 4.320 0.001 0.000 0.249 168 A C 0.019 177.568 177.584 -0.058 0.000 1.084 168 A CA -0.063 52.012 52.037 0.063 0.000 0.781 168 A CB 0.476 19.489 19.000 0.021 0.000 1.019 168 A HN 0.536 nan 8.150 nan 0.000 0.490 169 D N 1.415 121.755 120.400 -0.100 0.000 2.383 169 D HA 0.304 4.945 4.640 0.001 0.000 0.252 169 D C -0.363 175.488 176.300 -0.749 0.000 1.166 169 D CA 0.877 54.624 54.000 -0.423 0.000 0.879 169 D CB 0.823 41.424 40.800 -0.332 0.000 1.164 169 D HN 0.368 nan 8.370 nan 0.000 0.462 170 I N 2.856 122.947 120.570 -0.799 0.000 2.362 170 I HA 0.273 4.444 4.170 0.001 0.000 0.289 170 I C -0.499 175.122 176.117 -0.827 0.000 0.994 170 I CA -0.618 60.328 61.300 -0.591 0.000 1.158 170 I CB 0.721 38.604 38.000 -0.196 0.000 1.315 170 I HN 0.105 nan 8.210 nan 0.000 0.451 171 F N 5.438 125.143 119.950 -0.408 0.000 2.477 171 F HA 0.428 4.956 4.527 0.001 0.000 0.335 171 F C 0.199 175.693 175.800 -0.511 0.000 1.130 171 F CA -0.903 56.799 58.000 -0.497 0.000 0.948 171 F CB 1.565 39.983 39.000 -0.970 0.000 1.154 171 F HN 0.291 nan 8.300 nan 0.000 0.439 172 K N 2.882 123.041 120.400 -0.401 0.000 2.258 172 K HA 0.779 5.100 4.320 0.001 0.000 0.284 172 K C -0.874 175.593 176.600 -0.222 0.000 1.051 172 K CA -0.157 55.663 56.287 -0.778 0.000 0.923 172 K CB 0.789 33.006 32.500 -0.471 0.000 1.046 172 K HN 0.794 nan 8.250 nan 0.000 0.474 173 A N 2.836 125.601 122.820 -0.091 0.000 2.527 173 A HA 0.673 4.994 4.320 0.001 0.000 0.293 173 A C 0.079 177.807 177.584 0.241 0.000 1.117 173 A CA -0.338 51.814 52.037 0.191 0.000 0.723 173 A CB 1.395 20.648 19.000 0.422 0.000 1.313 173 A HN 0.762 nan 8.150 nan 0.000 0.411 174 A N -0.393 122.565 122.820 0.230 0.000 2.067 174 A HA 0.433 4.754 4.320 0.001 0.000 0.217 174 A C 0.372 178.153 177.584 0.327 0.000 1.156 174 A CA 0.791 52.945 52.037 0.194 0.000 0.683 174 A CB -0.706 18.364 19.000 0.117 0.000 0.808 174 A HN 1.573 nan 8.150 nan 0.000 0.455 175 F N 0.110 120.086 119.950 0.042 0.000 3.040 175 F HA -0.182 4.346 4.527 0.001 0.000 0.298 175 F C 0.153 175.962 175.800 0.016 0.000 0.948 175 F CA 0.385 58.411 58.000 0.044 0.000 1.022 175 F CB -2.096 36.951 39.000 0.079 0.000 1.023 175 F HN 0.634 nan 8.300 nan 0.000 0.742 176 D N -2.761 117.695 120.400 0.093 0.000 2.668 176 D HA 0.509 5.150 4.640 0.001 0.000 0.249 176 D C 1.236 177.513 176.300 -0.039 0.000 1.150 176 D CA 0.055 54.075 54.000 0.033 0.000 1.090 176 D CB 0.147 40.970 40.800 0.039 0.000 1.244 176 D HN -0.184 nan 8.370 nan 0.000 0.636 177 S N -1.259 114.418 115.700 -0.038 0.000 2.399 177 S HA -0.164 4.307 4.470 0.001 0.000 0.231 177 S C 1.824 176.372 174.600 -0.086 0.000 1.022 177 S CA 1.807 59.967 58.200 -0.066 0.000 0.983 177 S CB -0.785 62.388 63.200 -0.045 0.000 0.803 177 S HN 0.525 nan 8.310 nan 0.000 0.480 178 S N -0.011 115.652 115.700 -0.062 0.000 2.406 178 S HA -0.068 4.403 4.470 0.001 0.000 0.228 178 S C 1.844 176.383 174.600 -0.101 0.000 1.020 178 S CA 1.447 59.609 58.200 -0.063 0.000 0.965 178 S CB -1.122 62.062 63.200 -0.027 0.000 0.798 178 S HN 0.525 nan 8.310 nan 0.000 0.488 179 T N 2.355 116.836 114.554 -0.121 0.000 2.788 179 T HA -0.005 4.346 4.350 0.001 0.000 0.268 179 T C 1.867 176.328 174.700 -0.399 0.000 1.044 179 T CA 1.253 63.221 62.100 -0.220 0.000 1.139 179 T CB -0.605 68.127 68.868 -0.227 0.000 0.867 179 T HN 0.276 nan 8.240 nan 0.000 0.454 180 V N 2.356 122.070 119.914 -0.334 0.000 2.287 180 V HA -0.205 3.916 4.120 0.001 0.000 0.248 180 V C 2.886 178.800 176.094 -0.300 0.000 1.053 180 V CA 2.177 64.264 62.300 -0.354 0.000 1.027 180 V CB -0.941 30.735 31.823 -0.246 0.000 0.646 180 V HN 0.690 nan 8.190 nan 0.000 0.447 181 S N -0.516 115.060 115.700 -0.207 0.000 2.383 181 S HA -0.222 4.249 4.470 0.001 0.000 0.227 181 S C 1.697 176.204 174.600 -0.155 0.000 1.026 181 S CA 1.439 59.548 58.200 -0.152 0.000 0.981 181 S CB -0.530 62.611 63.200 -0.099 0.000 0.818 181 S HN 0.559 nan 8.310 nan 0.000 0.472 182 D N 1.907 122.199 120.400 -0.180 0.000 2.104 182 D HA -0.023 4.618 4.640 0.001 0.000 0.194 182 D C 1.925 178.073 176.300 -0.253 0.000 0.994 182 D CA 1.316 55.233 54.000 -0.139 0.000 0.830 182 D CB -0.379 40.381 40.800 -0.067 0.000 0.959 182 D HN 0.464 nan 8.370 nan 0.000 0.452 183 I N 0.981 121.156 120.570 -0.658 0.000 2.202 183 I HA -0.222 3.949 4.170 0.001 0.000 0.242 183 I C 1.927 177.874 176.117 -0.283 0.000 1.091 183 I CA 0.723 61.501 61.300 -0.870 0.000 1.368 183 I CB -0.219 37.041 38.000 -1.233 0.000 1.058 183 I HN -0.041 nan 8.210 nan 0.000 0.410 184 N N 1.203 119.757 118.700 -0.242 0.000 2.166 184 N HA -0.157 4.583 4.740 0.001 0.000 0.186 184 N C 1.536 177.028 175.510 -0.031 0.000 1.019 184 N CA 1.113 54.093 53.050 -0.116 0.000 0.856 184 N CB -0.654 37.752 38.487 -0.134 0.000 0.993 184 N HN 0.352 nan 8.380 nan 0.000 0.426 185 N N 0.418 119.106 118.700 -0.020 0.000 2.069 185 N HA -0.176 4.565 4.740 0.001 0.000 0.191 185 N C 1.547 177.118 175.510 0.102 0.000 1.031 185 N CA 0.745 53.811 53.050 0.027 0.000 0.852 185 N CB -0.603 37.902 38.487 0.030 0.000 1.018 185 N HN 0.405 nan 8.380 nan 0.000 0.423 186 W N 1.921 123.226 121.300 0.008 0.000 2.333 186 W HA -0.202 4.459 4.660 0.001 0.000 0.316 186 W C 2.351 178.915 176.519 0.076 0.000 1.215 186 W CA 2.460 59.870 57.345 0.109 0.000 1.278 186 W CB -0.583 29.057 29.460 0.301 0.000 1.154 186 W HN -0.035 nan 8.180 nan 0.000 0.486 187 V N 0.364 120.443 119.914 0.273 0.000 2.515 187 V HA -0.214 3.907 4.120 0.001 0.000 0.250 187 V C 2.215 178.284 176.094 -0.042 0.000 1.058 187 V CA 2.421 64.785 62.300 0.106 0.000 1.064 187 V CB -0.888 31.047 31.823 0.186 0.000 0.675 187 V HN 0.318 nan 8.190 nan 0.000 0.461 188 K N 0.254 120.631 120.400 -0.038 0.000 2.026 188 K HA -0.184 4.137 4.320 0.001 0.000 0.208 188 K C 2.480 179.018 176.600 -0.104 0.000 1.048 188 K CA 1.868 58.112 56.287 -0.071 0.000 0.929 188 K CB -0.403 32.061 32.500 -0.060 0.000 0.713 188 K HN 0.540 nan 8.250 nan 0.000 0.439 189 S N 0.392 116.017 115.700 -0.124 0.000 2.348 189 S HA -0.062 4.408 4.470 0.001 0.000 0.221 189 S C 1.594 176.060 174.600 -0.223 0.000 1.033 189 S CA 1.193 59.297 58.200 -0.161 0.000 1.010 189 S CB -0.044 63.058 63.200 -0.165 0.000 0.891 189 S HN 0.253 nan 8.310 nan 0.000 0.442 190 K N 1.070 121.252 120.400 -0.362 0.000 2.504 190 K HA 0.053 4.373 4.320 0.001 0.000 0.195 190 K C 1.659 178.142 176.600 -0.196 0.000 1.036 190 K CA 1.053 57.102 56.287 -0.396 0.000 0.984 190 K CB -0.582 31.434 32.500 -0.805 0.000 0.788 190 K HN 0.665 nan 8.250 nan 0.000 0.488 191 T N -2.865 111.610 114.554 -0.132 0.000 3.085 191 T HA 0.126 4.477 4.350 0.001 0.000 0.264 191 T C 0.053 174.713 174.700 -0.066 0.000 1.019 191 T CA -0.436 61.632 62.100 -0.053 0.000 0.910 191 T CB -0.553 68.306 68.868 -0.014 0.000 1.059 191 T HN 0.269 nan 8.240 nan 0.000 0.542 192 N N 1.317 119.961 118.700 -0.094 0.000 2.735 192 N HA -0.206 4.535 4.740 0.001 0.000 0.248 192 N C 0.949 176.394 175.510 -0.110 0.000 1.083 192 N CA 0.130 53.124 53.050 -0.093 0.000 0.703 192 N CB -1.590 36.850 38.487 -0.078 0.000 1.005 192 N HN 0.844 nan 8.380 nan 0.000 0.550 193 G N -0.839 107.888 108.800 -0.122 0.000 2.179 193 G HA2 -0.385 3.576 3.960 0.001 0.000 0.260 193 G HA3 -0.385 3.576 3.960 0.001 0.000 0.260 193 G C 0.816 175.575 174.900 -0.235 0.000 0.977 193 G CA 0.631 45.641 45.100 -0.149 0.000 0.641 193 G HN 0.416 nan 8.290 nan 0.000 0.533 194 M N -0.654 118.795 119.600 -0.253 0.000 2.254 194 M HA 0.265 4.746 4.480 0.001 0.000 0.265 194 M C 0.838 176.914 176.300 -0.372 0.000 1.066 194 M CA 1.447 56.462 55.300 -0.475 0.000 1.123 194 M CB 0.210 32.671 32.600 -0.232 0.000 1.388 194 M HN 0.279 nan 8.290 nan 0.000 0.425 195 I N 0.517 120.992 120.570 -0.159 0.000 2.476 195 I HA 0.083 4.253 4.170 0.001 0.000 0.281 195 I C -0.394 175.680 176.117 -0.073 0.000 1.040 195 I CA -0.517 60.733 61.300 -0.082 0.000 1.094 195 I CB 1.478 39.480 38.000 0.002 0.000 1.219 195 I HN 0.113 nan 8.210 nan 0.000 0.450 196 D N 3.840 124.190 120.400 -0.083 0.000 2.346 196 D HA 0.074 4.715 4.640 0.001 0.000 0.206 196 D C 0.125 176.388 176.300 -0.061 0.000 1.001 196 D CA 0.439 54.396 54.000 -0.072 0.000 0.871 196 D CB 0.349 41.101 40.800 -0.081 0.000 0.943 196 D HN 0.233 nan 8.370 nan 0.000 0.518 197 K N -0.311 120.055 120.400 -0.057 0.000 2.482 197 K HA 0.408 4.729 4.320 0.001 0.000 0.251 197 K C -0.588 175.974 176.600 -0.062 0.000 0.936 197 K CA -0.663 55.582 56.287 -0.069 0.000 0.791 197 K CB 2.798 35.255 32.500 -0.071 0.000 1.213 197 K HN -0.114 nan 8.250 nan 0.000 0.428 198 I N 2.064 122.578 120.570 -0.092 0.000 4.124 198 I HA 0.218 4.389 4.170 0.001 0.000 0.311 198 I C -0.638 175.397 176.117 -0.137 0.000 1.259 198 I CA 0.283 61.529 61.300 -0.090 0.000 1.315 198 I CB 0.783 38.740 38.000 -0.071 0.000 1.223 198 I HN 0.422 nan 8.210 nan 0.000 0.441 199 L N 0.211 121.313 121.223 -0.201 0.000 2.319 199 L HA 0.426 4.767 4.340 0.001 0.000 0.267 199 L C 0.151 176.917 176.870 -0.173 0.000 1.011 199 L CA -0.317 54.386 54.840 -0.229 0.000 0.818 199 L CB 1.831 43.655 42.059 -0.391 0.000 1.316 199 L HN -0.038 nan 8.230 nan 0.000 0.432 200 N N -1.050 117.566 118.700 -0.141 0.000 2.211 200 N HA 0.025 4.765 4.740 0.001 0.000 0.216 200 N C -1.297 174.149 175.510 -0.107 0.000 1.240 200 N CA -0.187 52.796 53.050 -0.112 0.000 0.895 200 N CB 1.012 39.453 38.487 -0.077 0.000 1.102 200 N HN 0.386 nan 8.380 nan 0.000 0.498 201 K N -0.316 120.016 120.400 -0.112 0.000 2.587 201 K HA 0.503 4.823 4.320 0.001 0.000 0.276 201 K C -1.805 174.747 176.600 -0.081 0.000 0.956 201 K CA -0.754 55.480 56.287 -0.088 0.000 0.857 201 K CB 0.535 33.006 32.500 -0.048 0.000 1.431 201 K HN 0.021 nan 8.250 nan 0.000 0.420 202 I N 1.544 122.082 120.570 -0.054 0.000 2.362 202 I HA 0.299 4.470 4.170 0.001 0.000 0.289 202 I C -0.182 175.977 176.117 0.070 0.000 0.994 202 I CA -0.723 60.588 61.300 0.018 0.000 1.158 202 I CB 1.648 39.638 38.000 -0.017 0.000 1.315 202 I HN 0.710 nan 8.210 nan 0.000 0.451 203 D N 8.205 128.660 120.400 0.092 0.000 2.455 203 D HA 0.033 4.673 4.640 0.001 0.000 0.241 203 D C -1.523 174.832 176.300 0.092 0.000 1.138 203 D CA -0.813 53.229 54.000 0.070 0.000 0.877 203 D CB 1.532 42.358 40.800 0.044 0.000 1.187 203 D HN 0.274 nan 8.370 nan 0.000 0.451 204 P HA -0.127 nan 4.420 nan 0.000 0.221 204 P C 0.314 177.642 177.300 0.047 0.000 1.145 204 P CA 1.177 64.316 63.100 0.065 0.000 0.795 204 P CB 0.334 32.060 31.700 0.044 0.000 0.775 205 E N -1.528 118.688 120.200 0.025 0.000 2.481 205 E HA 0.051 4.402 4.350 0.001 0.000 0.198 205 E C -0.013 176.546 176.600 -0.068 0.000 1.027 205 E CA -0.025 56.367 56.400 -0.013 0.000 0.900 205 E CB -0.378 29.318 29.700 -0.006 0.000 0.993 205 E HN 0.263 nan 8.360 nan 0.000 0.482 206 D N 0.215 120.597 120.400 -0.030 0.000 2.414 206 D HA 0.015 4.656 4.640 0.001 0.000 0.242 206 D C 1.051 177.267 176.300 -0.140 0.000 1.129 206 D CA 0.097 54.048 54.000 -0.082 0.000 0.885 206 D CB 1.745 42.575 40.800 0.051 0.000 1.198 206 D HN 0.026 nan 8.370 nan 0.000 0.437 207 V N -0.701 119.010 119.914 -0.339 0.000 3.480 207 V HA 0.388 4.509 4.120 0.001 0.000 0.263 207 V C 0.284 176.047 176.094 -0.551 0.000 1.442 207 V CA -0.118 61.828 62.300 -0.590 0.000 1.053 207 V CB 0.092 31.491 31.823 -0.707 0.000 0.846 207 V HN 0.461 nan 8.190 nan 0.000 0.440 208 M N 0.611 120.023 119.600 -0.313 0.000 2.365 208 M HA 0.603 5.084 4.480 0.001 0.000 0.287 208 M C -2.517 173.681 176.300 -0.170 0.000 1.154 208 M CA -0.468 54.800 55.300 -0.054 0.000 0.941 208 M CB 2.733 35.191 32.600 -0.237 0.000 1.704 208 M HN 0.203 nan 8.290 nan 0.000 0.479 209 Y N 4.279 124.735 120.300 0.260 0.000 2.331 209 Y HA 0.561 5.111 4.550 0.001 0.000 0.334 209 Y C -1.065 174.944 175.900 0.182 0.000 0.960 209 Y CA -0.709 57.460 58.100 0.116 0.000 1.130 209 Y CB 1.527 39.972 38.460 -0.026 0.000 1.164 209 Y HN 0.492 nan 8.280 nan 0.000 0.458 210 L N 5.612 126.969 121.223 0.223 0.000 2.272 210 L HA 0.556 4.897 4.340 0.001 0.000 0.289 210 L C -0.658 176.327 176.870 0.192 0.000 1.032 210 L CA -0.057 54.900 54.840 0.194 0.000 0.810 210 L CB 0.645 42.776 42.059 0.119 0.000 1.205 210 L HN 0.485 nan 8.230 nan 0.000 0.422 211 I N 3.353 124.040 120.570 0.195 0.000 2.466 211 I HA 0.384 4.555 4.170 0.001 0.000 0.289 211 I C -0.489 175.796 176.117 0.281 0.000 1.026 211 I CA -0.460 60.966 61.300 0.210 0.000 1.078 211 I CB 1.857 39.955 38.000 0.164 0.000 1.249 211 I HN 0.607 nan 8.210 nan 0.000 0.429 212 N N 5.053 123.941 118.700 0.314 0.000 2.362 212 N HA 0.739 5.480 4.740 0.001 0.000 0.298 212 N C -1.463 174.269 175.510 0.370 0.000 1.048 212 N CA -0.217 53.050 53.050 0.362 0.000 0.858 212 N CB 2.400 41.057 38.487 0.283 0.000 1.218 212 N HN 0.738 nan 8.380 nan 0.000 0.488 213 A N 2.567 125.611 122.820 0.373 0.000 2.374 213 A HA 0.716 5.036 4.320 0.001 0.000 0.317 213 A C -1.025 176.655 177.584 0.160 0.000 1.094 213 A CA -0.536 51.637 52.037 0.227 0.000 0.765 213 A CB 1.488 20.555 19.000 0.110 0.000 1.268 213 A HN 0.399 nan 8.150 nan 0.000 0.438 214 V N 0.448 120.452 119.914 0.150 0.000 2.760 214 V HA 0.788 4.909 4.120 0.001 0.000 0.309 214 V C -0.129 176.087 176.094 0.203 0.000 1.077 214 V CA -0.121 62.273 62.300 0.156 0.000 0.910 214 V CB 1.865 33.763 31.823 0.126 0.000 1.008 214 V HN 1.497 nan 8.190 nan 0.000 0.424 215 A N 4.185 127.109 122.820 0.173 0.000 2.381 215 A HA 0.865 5.186 4.320 0.001 0.000 0.299 215 A C -1.552 176.138 177.584 0.176 0.000 1.049 215 A CA -0.375 51.758 52.037 0.161 0.000 0.715 215 A CB 1.210 20.238 19.000 0.046 0.000 1.222 215 A HN 0.847 nan 8.150 nan 0.000 0.428 216 F N 2.624 122.578 119.950 0.007 0.000 2.477 216 F HA 0.654 5.182 4.527 0.001 0.000 0.335 216 F C -0.995 174.692 175.800 -0.188 0.000 1.130 216 F CA -0.498 57.430 58.000 -0.120 0.000 0.948 216 F CB 1.749 40.686 39.000 -0.105 0.000 1.154 216 F HN 0.490 nan 8.300 nan 0.000 0.439 217 D N 5.258 125.180 120.400 -0.798 0.000 2.386 217 D HA 0.600 5.240 4.640 0.001 0.000 0.247 217 D C -1.663 174.148 176.300 -0.816 0.000 1.336 217 D CA -0.052 53.565 54.000 -0.638 0.000 0.976 217 D CB 1.539 42.146 40.800 -0.320 0.000 1.257 217 D HN 0.781 nan 8.370 nan 0.000 0.570 218 A N 3.253 125.514 122.820 -0.932 0.000 2.539 218 A HA 0.674 4.995 4.320 0.001 0.000 0.296 218 A C -0.498 176.827 177.584 -0.432 0.000 1.073 218 A CA -0.738 50.868 52.037 -0.719 0.000 0.700 218 A CB 1.522 19.908 19.000 -1.024 0.000 1.296 218 A HN 0.409 nan 8.150 nan 0.000 0.405 219 E N 0.535 120.625 120.200 -0.182 0.000 2.242 219 E HA 0.273 4.624 4.350 0.001 0.000 0.275 219 E C -1.025 175.654 176.600 0.131 0.000 1.002 219 E CA -0.368 55.987 56.400 -0.074 0.000 0.841 219 E CB 1.031 30.730 29.700 -0.003 0.000 1.109 219 E HN 0.649 nan 8.360 nan 0.000 0.394 220 W N 1.342 122.775 121.300 0.223 0.000 2.231 220 W HA -0.050 4.611 4.660 0.001 0.000 0.341 220 W C 1.658 178.212 176.519 0.059 0.000 1.298 220 W CA 0.008 57.421 57.345 0.112 0.000 1.266 220 W CB 0.298 29.742 29.460 -0.026 0.000 1.172 220 W HN 0.753 nan 8.180 nan 0.000 0.568 221 E N 0.873 121.267 120.200 0.323 0.000 2.085 221 E HA -0.147 4.204 4.350 0.001 0.000 0.194 221 E C 0.236 176.894 176.600 0.096 0.000 0.994 221 E CA 1.370 57.869 56.400 0.165 0.000 0.801 221 E CB 0.044 29.814 29.700 0.117 0.000 0.743 221 E HN 0.251 nan 8.360 nan 0.000 0.453 222 T N 2.145 116.728 114.554 0.048 0.000 2.934 222 T HA 0.370 4.721 4.350 0.001 0.000 0.328 222 T C -0.432 174.179 174.700 -0.147 0.000 1.068 222 T CA -0.328 61.732 62.100 -0.066 0.000 1.018 222 T CB 1.164 69.939 68.868 -0.154 0.000 1.009 222 T HN 0.219 nan 8.240 nan 0.000 0.471 223 V N 1.803 121.708 119.914 -0.016 0.000 3.287 223 V HA 0.416 4.537 4.120 0.001 0.000 0.306 223 V C -0.589 175.407 176.094 -0.164 0.000 1.103 223 V CA -0.481 61.842 62.300 0.039 0.000 1.159 223 V CB -0.100 31.809 31.823 0.142 0.000 1.036 223 V HN 0.688 nan 8.190 nan 0.000 0.487 224 Y N 0.749 121.053 120.300 0.008 0.000 2.327 224 Y HA 0.448 4.999 4.550 0.001 0.000 0.336 224 Y C 0.838 176.738 175.900 -0.000 0.000 1.035 224 Y CA -0.297 57.780 58.100 -0.038 0.000 1.165 224 Y CB 0.537 38.959 38.460 -0.062 0.000 1.181 224 Y HN 0.719 nan 8.280 nan 0.000 0.494 225 E N 1.771 122.046 120.200 0.125 0.000 2.398 225 E HA -0.019 4.331 4.350 0.001 0.000 0.263 225 E C 0.777 177.435 176.600 0.097 0.000 1.046 225 E CA -0.275 56.176 56.400 0.086 0.000 0.908 225 E CB 0.844 30.573 29.700 0.048 0.000 0.963 225 E HN 0.473 nan 8.360 nan 0.000 0.431 226 K N 2.354 122.794 120.400 0.067 0.000 2.209 226 K HA -0.142 4.179 4.320 0.001 0.000 0.204 226 K C 1.586 178.215 176.600 0.049 0.000 1.048 226 K CA 1.434 57.751 56.287 0.050 0.000 0.940 226 K CB -0.183 32.338 32.500 0.035 0.000 0.729 226 K HN 0.552 nan 8.250 nan 0.000 0.451 227 A N -0.522 122.327 122.820 0.047 0.000 2.125 227 A HA -0.055 4.265 4.320 0.001 0.000 0.219 227 A C 1.779 179.391 177.584 0.047 0.000 1.156 227 A CA 1.655 53.717 52.037 0.042 0.000 0.671 227 A CB -0.303 18.715 19.000 0.029 0.000 0.794 227 A HN 0.259 nan 8.150 nan 0.000 0.459 228 S N -0.876 114.862 115.700 0.064 0.000 2.575 228 S HA 0.257 4.728 4.470 0.001 0.000 0.215 228 S C 0.197 174.834 174.600 0.062 0.000 0.966 228 S CA -0.000 58.245 58.200 0.076 0.000 0.911 228 S CB 0.042 63.326 63.200 0.139 0.000 0.780 228 S HN 0.241 nan 8.310 nan 0.000 0.514 229 V N 1.708 121.655 119.914 0.055 0.000 2.555 229 V HA 0.537 4.658 4.120 0.001 0.000 0.302 229 V C -0.708 175.462 176.094 0.126 0.000 1.038 229 V CA -0.830 61.495 62.300 0.040 0.000 0.887 229 V CB 1.595 33.404 31.823 -0.024 0.000 0.991 229 V HN 0.382 nan 8.190 nan 0.000 0.434 230 H N 1.807 120.896 119.070 0.033 0.000 2.966 230 H HA 0.449 5.006 4.556 0.001 0.000 0.347 230 H C -0.855 174.531 175.328 0.096 0.000 1.048 230 H CA -0.395 55.688 56.048 0.058 0.000 1.295 230 H CB 1.703 31.501 29.762 0.061 0.000 1.744 230 H HN 0.735 nan 8.280 nan 0.000 0.513 231 E N 3.973 123.943 120.200 -0.383 0.000 2.130 231 E HA 0.164 4.515 4.350 0.001 0.000 0.284 231 E C -0.925 175.502 176.600 -0.288 0.000 1.018 231 E CA -0.745 55.513 56.400 -0.238 0.000 0.817 231 E CB 0.549 30.160 29.700 -0.149 0.000 1.078 231 E HN 0.544 nan 8.360 nan 0.000 0.396 232 D N 4.419 124.821 120.400 0.003 0.000 2.168 232 D HA 0.331 4.972 4.640 0.001 0.000 0.246 232 D C -0.179 176.254 176.300 0.222 0.000 1.050 232 D CA -0.292 53.789 54.000 0.134 0.000 0.857 232 D CB 1.415 42.396 40.800 0.302 0.000 1.169 232 D HN 0.412 nan 8.370 nan 0.000 0.453 233 I N 2.736 123.416 120.570 0.183 0.000 2.377 233 I HA 0.428 4.599 4.170 0.001 0.000 0.293 233 I C -0.220 176.069 176.117 0.286 0.000 0.987 233 I CA -0.782 60.614 61.300 0.159 0.000 1.185 233 I CB 0.670 38.698 38.000 0.048 0.000 1.341 233 I HN 0.276 nan 8.210 nan 0.000 0.455 234 F N 2.059 122.030 119.950 0.035 0.000 2.685 234 F HA 0.759 5.287 4.527 0.001 0.000 0.315 234 F C -0.744 175.073 175.800 0.029 0.000 1.126 234 F CA -0.916 57.106 58.000 0.037 0.000 0.950 234 F CB 1.440 40.471 39.000 0.052 0.000 1.360 234 F HN 0.328 nan 8.300 nan 0.000 0.469 235 T N -0.288 114.315 114.554 0.081 0.000 2.779 235 T HA 0.471 4.822 4.350 0.001 0.000 0.280 235 T C -0.699 174.056 174.700 0.091 0.000 0.987 235 T CA -0.719 61.368 62.100 -0.021 0.000 0.966 235 T CB 1.215 70.095 68.868 0.020 0.000 0.933 235 T HN 0.764 nan 8.240 nan 0.000 0.442 236 D N 2.416 122.821 120.400 0.009 0.000 2.380 236 D HA 0.222 4.863 4.640 0.001 0.000 0.254 236 D C 2.074 178.376 176.300 0.005 0.000 1.288 236 D CA -0.202 53.856 54.000 0.098 0.000 1.008 236 D CB -0.285 40.571 40.800 0.093 0.000 1.099 236 D HN 0.473 nan 8.370 nan 0.000 0.537 237 V N -0.967 118.863 119.914 -0.139 0.000 2.392 237 V HA -0.264 3.857 4.120 0.001 0.000 0.249 237 V C 2.146 178.020 176.094 -0.368 0.000 1.059 237 V CA 1.820 63.911 62.300 -0.349 0.000 1.051 237 V CB -1.385 30.051 31.823 -0.645 0.000 0.658 237 V HN 0.582 nan 8.190 nan 0.000 0.455 238 Y N 0.396 120.712 120.300 0.028 0.000 2.466 238 Y HA 0.459 5.010 4.550 0.001 0.000 0.272 238 Y C 1.823 177.727 175.900 0.007 0.000 1.169 238 Y CA 0.483 58.592 58.100 0.015 0.000 1.285 238 Y CB 0.335 38.801 38.460 0.010 0.000 1.078 238 Y HN 0.448 nan 8.280 nan 0.000 0.523 239 G N 0.375 109.232 108.800 0.095 0.000 2.163 239 G HA2 -0.259 3.701 3.960 0.001 0.000 0.213 239 G HA3 -0.259 3.701 3.960 0.001 0.000 0.213 239 G C -0.313 174.608 174.900 0.036 0.000 0.991 239 G CA -0.398 44.735 45.100 0.056 0.000 0.653 239 G HN 0.443 nan 8.290 nan 0.000 0.518 240 N N 0.396 119.121 118.700 0.042 0.000 2.472 240 N HA 0.431 5.172 4.740 0.001 0.000 0.277 240 N C 0.402 175.860 175.510 -0.086 0.000 1.081 240 N CA -0.634 52.412 53.050 -0.006 0.000 0.973 240 N CB 0.736 39.232 38.487 0.015 0.000 1.105 240 N HN 0.338 nan 8.380 nan 0.000 0.470 241 R N 2.366 122.808 120.500 -0.098 0.000 2.480 241 R HA -0.040 4.301 4.340 0.001 0.000 0.303 241 R C -0.610 175.538 176.300 -0.254 0.000 0.985 241 R CA 0.355 56.359 56.100 -0.160 0.000 1.051 241 R CB 0.219 30.461 30.300 -0.097 0.000 0.935 241 R HN 0.484 nan 8.270 nan 0.000 0.410 242 Q N 3.705 123.206 119.800 -0.499 0.000 2.387 242 Q HA 0.371 4.711 4.340 0.001 0.000 0.273 242 Q C -1.051 174.639 176.000 -0.517 0.000 1.089 242 Q CA -0.852 54.587 55.803 -0.607 0.000 0.824 242 Q CB 2.524 30.666 28.738 -0.993 0.000 1.367 242 Q HN 0.486 nan 8.270 nan 0.000 0.443 243 K N 0.843 121.106 120.400 -0.228 0.000 2.545 243 K HA 0.548 4.869 4.320 0.001 0.000 0.252 243 K C -1.209 175.400 176.600 0.015 0.000 0.948 243 K CA -0.393 55.861 56.287 -0.055 0.000 0.827 243 K CB 2.105 34.572 32.500 -0.056 0.000 1.128 243 K HN 0.220 nan 8.250 nan 0.000 0.429 244 V N 2.806 122.786 119.914 0.111 0.000 2.448 244 V HA 0.234 4.354 4.120 0.001 0.000 0.295 244 V C -0.318 175.645 176.094 -0.218 0.000 1.025 244 V CA -0.866 61.388 62.300 -0.077 0.000 0.859 244 V CB 1.671 33.415 31.823 -0.132 0.000 0.988 244 V HN 0.693 nan 8.190 nan 0.000 0.431 245 E N 4.052 124.094 120.200 -0.264 0.000 2.229 245 E HA 0.395 4.745 4.350 0.001 0.000 0.283 245 E C -1.303 175.070 176.600 -0.379 0.000 1.030 245 E CA -0.109 56.160 56.400 -0.219 0.000 0.836 245 E CB 1.132 30.740 29.700 -0.153 0.000 1.068 245 E HN 0.484 nan 8.360 nan 0.000 0.401 246 F N 2.610 122.531 119.950 -0.049 0.000 2.421 246 F HA 0.358 4.886 4.527 0.001 0.000 0.337 246 F C 0.444 176.162 175.800 -0.136 0.000 1.105 246 F CA -0.737 57.220 58.000 -0.073 0.000 1.049 246 F CB 1.071 40.064 39.000 -0.011 0.000 1.139 246 F HN 0.176 nan 8.300 nan 0.000 0.479 247 M N 3.291 122.841 119.600 -0.082 0.000 2.114 247 M HA 0.340 4.821 4.480 0.001 0.000 0.332 247 M C -1.119 175.084 176.300 -0.162 0.000 1.014 247 M CA -0.576 54.490 55.300 -0.390 0.000 0.956 247 M CB 1.413 33.303 32.600 -1.183 0.000 1.551 247 M HN 0.466 nan 8.290 nan 0.000 0.427 248 N N 1.751 120.460 118.700 0.015 0.000 2.438 248 N HA 0.549 5.290 4.740 0.001 0.000 0.282 248 N C -1.049 174.557 175.510 0.161 0.000 1.037 248 N CA -0.133 52.964 53.050 0.078 0.000 0.942 248 N CB 1.416 39.916 38.487 0.022 0.000 1.136 248 N HN 0.699 nan 8.380 nan 0.000 0.481 249 S N 0.511 116.230 115.700 0.031 0.000 2.588 249 S HA 0.451 4.922 4.470 0.001 0.000 0.275 249 S C -1.087 173.408 174.600 -0.176 0.000 1.130 249 S CA -1.048 57.084 58.200 -0.113 0.000 0.855 249 S CB 1.678 64.715 63.200 -0.272 0.000 1.116 249 S HN 0.386 nan 8.310 nan 0.000 0.472 250 E N 1.266 121.363 120.200 -0.172 0.000 2.167 250 E HA 0.393 4.744 4.350 0.001 0.000 0.284 250 E C -0.557 175.937 176.600 -0.177 0.000 1.016 250 E CA -0.553 55.752 56.400 -0.158 0.000 0.817 250 E CB 0.850 30.481 29.700 -0.115 0.000 1.080 250 E HN 0.490 nan 8.360 nan 0.000 0.397 251 E N 1.771 121.864 120.200 -0.179 0.000 2.281 251 E HA 0.306 4.657 4.350 0.001 0.000 0.262 251 E C 0.093 176.667 176.600 -0.043 0.000 0.933 251 E CA -0.736 55.589 56.400 -0.124 0.000 0.809 251 E CB 1.195 30.798 29.700 -0.162 0.000 1.242 251 E HN 0.359 nan 8.360 nan 0.000 0.418 252 N N 0.488 119.194 118.700 0.011 0.000 2.170 252 N HA 0.213 4.954 4.740 0.001 0.000 0.222 252 N C -0.668 174.889 175.510 0.080 0.000 1.218 252 N CA 0.141 53.210 53.050 0.031 0.000 0.889 252 N CB 0.948 39.442 38.487 0.012 0.000 1.083 252 N HN 0.259 nan 8.380 nan 0.000 0.520 253 L N 1.295 122.595 121.223 0.129 0.000 2.343 253 L HA 0.350 4.691 4.340 0.001 0.000 0.278 253 L C -1.295 175.723 176.870 0.247 0.000 0.996 253 L CA -0.853 54.080 54.840 0.155 0.000 0.831 253 L CB 1.538 43.672 42.059 0.125 0.000 1.232 253 L HN -0.007 nan 8.230 nan 0.000 0.413 254 Y N 4.898 125.243 120.300 0.075 0.000 2.328 254 Y HA 0.564 5.114 4.550 0.001 0.000 0.333 254 Y C -0.528 175.403 175.900 0.053 0.000 0.958 254 Y CA -0.820 57.331 58.100 0.085 0.000 1.167 254 Y CB 1.093 39.589 38.460 0.060 0.000 1.151 254 Y HN 0.405 nan 8.280 nan 0.000 0.470 255 I N 5.930 126.278 120.570 -0.369 0.000 2.371 255 I HA 0.234 4.405 4.170 0.001 0.000 0.290 255 I C -0.269 175.425 176.117 -0.706 0.000 1.028 255 I CA -0.001 61.053 61.300 -0.410 0.000 1.345 255 I CB 1.032 38.883 38.000 -0.247 0.000 1.407 255 I HN 0.639 nan 8.210 nan 0.000 0.501 256 E N 5.753 125.659 120.200 -0.490 0.000 2.502 256 E HA 0.398 4.749 4.350 0.001 0.000 0.261 256 E C -0.556 175.952 176.600 -0.154 0.000 0.974 256 E CA -0.158 56.017 56.400 -0.375 0.000 0.795 256 E CB 0.910 30.404 29.700 -0.344 0.000 1.385 256 E HN 0.710 nan 8.360 nan 0.000 0.400 257 E N 2.176 122.317 120.200 -0.097 0.000 2.504 257 E HA 0.172 4.522 4.350 0.001 0.000 0.253 257 E C 0.716 177.318 176.600 0.004 0.000 1.151 257 E CA 0.173 56.556 56.400 -0.028 0.000 0.972 257 E CB 0.310 30.017 29.700 0.011 0.000 1.247 257 E HN 0.698 nan 8.360 nan 0.000 0.519 258 E N -0.424 119.792 120.200 0.026 0.000 2.216 258 E HA -0.127 4.224 4.350 0.001 0.000 0.192 258 E C 0.785 177.420 176.600 0.058 0.000 0.988 258 E CA 1.290 57.711 56.400 0.035 0.000 0.834 258 E CB 0.031 29.749 29.700 0.030 0.000 0.772 258 E HN 0.485 nan 8.360 nan 0.000 0.479 259 N N 1.157 119.920 118.700 0.104 0.000 2.204 259 N HA 0.301 5.041 4.740 0.001 0.000 0.219 259 N C -0.388 175.201 175.510 0.132 0.000 1.151 259 N CA 0.159 53.310 53.050 0.167 0.000 0.867 259 N CB 1.306 39.976 38.487 0.305 0.000 1.043 259 N HN 0.251 nan 8.380 nan 0.000 0.516 260 A N -0.388 122.471 122.820 0.065 0.000 2.608 260 A HA 0.710 5.031 4.320 0.001 0.000 0.292 260 A C -1.823 175.729 177.584 -0.053 0.000 1.066 260 A CA -0.619 51.402 52.037 -0.027 0.000 0.676 260 A CB 0.872 19.890 19.000 0.031 0.000 1.277 260 A HN 0.073 nan 8.150 nan 0.000 0.413 261 I N -0.224 120.303 120.570 -0.071 0.000 2.892 261 I HA 0.859 5.030 4.170 0.001 0.000 0.306 261 I C 0.608 176.682 176.117 -0.073 0.000 1.078 261 I CA 0.534 61.797 61.300 -0.062 0.000 1.032 261 I CB 2.475 40.522 38.000 0.079 0.000 1.229 261 I HN 1.318 nan 8.210 nan 0.000 0.435 262 G N 3.071 111.831 108.800 -0.067 0.000 2.430 262 G HA2 0.606 4.566 3.960 0.001 0.000 0.300 262 G HA3 0.606 4.566 3.960 0.001 0.000 0.300 262 G C -1.861 173.145 174.900 0.177 0.000 1.330 262 G CA -0.541 44.551 45.100 -0.014 0.000 0.813 262 G HN 0.643 nan 8.290 nan 0.000 0.487 263 F N -1.753 118.237 119.950 0.066 0.000 2.662 263 F HA 0.842 5.369 4.527 0.001 0.000 0.312 263 F C -1.242 174.621 175.800 0.105 0.000 1.113 263 F CA -1.494 56.572 58.000 0.110 0.000 0.951 263 F CB 1.705 40.803 39.000 0.162 0.000 1.344 263 F HN 0.456 nan 8.300 nan 0.000 0.462 264 V N 1.829 121.923 119.914 0.300 0.000 2.487 264 V HA 0.493 4.614 4.120 0.001 0.000 0.298 264 V C -0.773 175.523 176.094 0.337 0.000 1.028 264 V CA -0.854 61.573 62.300 0.211 0.000 0.860 264 V CB 1.523 33.412 31.823 0.109 0.000 0.991 264 V HN 0.833 nan 8.190 nan 0.000 0.427 265 K N 6.928 127.540 120.400 0.355 0.000 2.358 265 K HA 0.571 4.892 4.320 0.001 0.000 0.260 265 K C -2.774 173.930 176.600 0.174 0.000 0.956 265 K CA -1.950 54.473 56.287 0.227 0.000 0.834 265 K CB 2.413 34.979 32.500 0.110 0.000 1.102 265 K HN 0.409 nan 8.250 nan 0.000 0.431 266 P HA 0.099 nan 4.420 nan 0.000 0.282 266 P C -1.094 176.313 177.300 0.180 0.000 1.249 266 P CA -0.166 63.026 63.100 0.154 0.000 0.806 266 P CB 0.548 32.328 31.700 0.132 0.000 0.984 267 Y N 0.568 121.112 120.300 0.407 0.000 2.316 267 Y HA 0.398 4.948 4.550 0.001 0.000 0.324 267 Y C 1.531 177.554 175.900 0.205 0.000 1.267 267 Y CA -0.727 57.566 58.100 0.321 0.000 1.311 267 Y CB 0.446 39.092 38.460 0.310 0.000 1.267 267 Y HN 0.429 nan 8.280 nan 0.000 0.516 268 A N 2.113 125.122 122.820 0.315 0.000 2.547 268 A HA 0.127 4.448 4.320 0.001 0.000 0.233 268 A C 0.905 178.568 177.584 0.131 0.000 1.067 268 A CA -0.037 52.104 52.037 0.173 0.000 0.763 268 A CB -0.031 19.044 19.000 0.126 0.000 1.007 268 A HN 0.926 nan 8.150 nan 0.000 0.506 269 K N -0.070 120.353 120.400 0.038 0.000 3.572 269 K HA -0.279 4.042 4.320 0.001 0.000 0.306 269 K C 0.308 176.699 176.600 -0.348 0.000 1.286 269 K CA 1.433 57.665 56.287 -0.093 0.000 1.010 269 K CB -2.077 30.438 32.500 0.026 0.000 1.268 269 K HN 1.151 nan 8.250 nan 0.000 0.438 270 N N -0.368 118.249 118.700 -0.139 0.000 2.754 270 N HA -0.200 4.540 4.740 0.001 0.000 0.248 270 N C 0.441 175.821 175.510 -0.217 0.000 1.093 270 N CA 1.064 54.044 53.050 -0.117 0.000 0.699 270 N CB -0.527 37.904 38.487 -0.093 0.000 1.016 270 N HN 0.432 nan 8.380 nan 0.000 0.552 271 H N -1.955 117.129 119.070 0.024 0.000 2.516 271 H HA 0.155 4.712 4.556 0.001 0.000 0.284 271 H C -0.064 175.008 175.328 -0.426 0.000 0.999 271 H CA 0.945 56.836 56.048 -0.262 0.000 1.303 271 H CB 0.328 29.838 29.762 -0.420 0.000 1.452 271 H HN 0.304 nan 8.280 nan 0.000 0.530 272 Y N -0.173 120.383 120.300 0.427 0.000 2.536 272 Y HA 0.471 5.022 4.550 0.001 0.000 0.347 272 Y C 0.123 176.391 175.900 0.613 0.000 1.000 272 Y CA -0.786 57.617 58.100 0.504 0.000 1.051 272 Y CB 2.111 40.930 38.460 0.599 0.000 1.259 272 Y HN -0.212 nan 8.280 nan 0.000 0.468 273 S N 1.287 117.392 115.700 0.676 0.000 2.632 273 S HA 0.552 5.022 4.470 0.001 0.000 0.289 273 S C -1.871 173.056 174.600 0.545 0.000 1.115 273 S CA -0.810 57.676 58.200 0.476 0.000 0.889 273 S CB 1.678 65.047 63.200 0.282 0.000 1.116 273 S HN 0.496 nan 8.310 nan 0.000 0.486 274 F N 2.178 122.269 119.950 0.235 0.000 2.411 274 F HA 0.649 5.176 4.527 0.001 0.000 0.352 274 F C -0.847 175.057 175.800 0.174 0.000 1.123 274 F CA -0.516 57.675 58.000 0.319 0.000 1.044 274 F CB 0.705 39.972 39.000 0.444 0.000 1.135 274 F HN 0.251 nan 8.300 nan 0.000 0.461 275 V N 5.980 125.742 119.914 -0.253 0.000 2.427 275 V HA 0.752 4.873 4.120 0.001 0.000 0.286 275 V C -0.153 175.660 176.094 -0.468 0.000 1.034 275 V CA -0.553 61.585 62.300 -0.270 0.000 0.893 275 V CB 1.116 32.826 31.823 -0.189 0.000 0.982 275 V HN 0.929 nan 8.190 nan 0.000 0.452 276 A N 6.572 129.106 122.820 -0.477 0.000 2.330 276 A HA 0.906 5.227 4.320 0.001 0.000 0.313 276 A C -0.915 176.363 177.584 -0.510 0.000 1.124 276 A CA -0.475 51.268 52.037 -0.490 0.000 0.774 276 A CB 0.872 19.569 19.000 -0.506 0.000 1.198 276 A HN 0.753 nan 8.150 nan 0.000 0.465 277 I N 2.374 122.628 120.570 -0.527 0.000 2.499 277 I HA 0.302 4.473 4.170 0.001 0.000 0.288 277 I C -1.297 174.562 176.117 -0.430 0.000 1.048 277 I CA -0.664 60.422 61.300 -0.357 0.000 1.062 277 I CB 2.119 40.012 38.000 -0.179 0.000 1.238 277 I HN 0.458 nan 8.210 nan 0.000 0.426 278 L N 9.390 130.441 121.223 -0.287 0.000 2.313 278 L HA 0.521 4.862 4.340 0.001 0.000 0.273 278 L C -2.242 174.480 176.870 -0.247 0.000 1.028 278 L CA -1.869 52.839 54.840 -0.221 0.000 0.871 278 L CB 0.862 42.879 42.059 -0.070 0.000 1.242 278 L HN 0.264 nan 8.230 nan 0.000 0.434 279 P HA 0.077 nan 4.420 nan 0.000 0.272 279 P C -0.506 176.597 177.300 -0.329 0.000 1.223 279 P CA -0.335 62.371 63.100 -0.658 0.000 0.784 279 P CB 0.882 31.883 31.700 -1.166 0.000 0.923 280 D N 0.975 121.229 120.400 -0.243 0.000 2.378 280 D HA 0.052 4.692 4.640 0.001 0.000 0.238 280 D C 1.586 177.841 176.300 -0.075 0.000 1.180 280 D CA 0.351 54.292 54.000 -0.098 0.000 0.895 280 D CB 0.750 41.530 40.800 -0.034 0.000 1.192 280 D HN 0.517 nan 8.370 nan 0.000 0.438 281 E N 1.123 121.300 120.200 -0.038 0.000 2.318 281 E HA -0.123 4.228 4.350 0.001 0.000 0.193 281 E C 1.220 177.816 176.600 -0.006 0.000 0.998 281 E CA 0.627 57.014 56.400 -0.022 0.000 0.859 281 E CB -0.876 28.815 29.700 -0.016 0.000 0.812 281 E HN 0.639 nan 8.360 nan 0.000 0.492 282 N N -0.345 118.354 118.700 -0.001 0.000 2.567 282 N HA 0.295 5.035 4.740 0.001 0.000 0.195 282 N C 0.275 175.797 175.510 0.019 0.000 1.242 282 N CA 0.833 53.889 53.050 0.009 0.000 0.884 282 N CB -0.025 38.469 38.487 0.011 0.000 1.007 282 N HN 0.604 nan 8.380 nan 0.000 0.450 283 I N -2.183 118.401 120.570 0.024 0.000 3.074 283 I HA 0.846 5.017 4.170 0.001 0.000 0.310 283 I C 0.544 176.684 176.117 0.040 0.000 1.153 283 I CA -1.132 60.193 61.300 0.042 0.000 0.993 283 I CB 0.767 38.815 38.000 0.079 0.000 1.237 283 I HN 0.341 nan 8.210 nan 0.000 0.443 284 S N 0.693 116.419 115.700 0.043 0.000 2.585 284 S HA 0.499 4.970 4.470 0.001 0.000 0.273 284 S C 1.236 175.873 174.600 0.062 0.000 1.339 284 S CA 0.296 58.519 58.200 0.038 0.000 1.028 284 S CB 0.500 63.718 63.200 0.029 0.000 0.906 284 S HN 1.711 nan 8.310 nan 0.000 0.528 285 V N 2.488 122.430 119.914 0.047 0.000 2.358 285 V HA -0.178 3.943 4.120 0.001 0.000 0.246 285 V C 2.980 179.117 176.094 0.073 0.000 1.047 285 V CA 2.400 64.737 62.300 0.062 0.000 1.035 285 V CB -1.807 30.035 31.823 0.032 0.000 0.658 285 V HN 0.971 nan 8.190 nan 0.000 0.452 286 N N 0.164 118.887 118.700 0.038 0.000 2.244 286 N HA -0.209 4.531 4.740 0.001 0.000 0.183 286 N C 1.968 177.491 175.510 0.023 0.000 1.016 286 N CA 2.038 55.099 53.050 0.018 0.000 0.866 286 N CB -0.654 37.835 38.487 0.004 0.000 0.980 286 N HN 0.721 nan 8.380 nan 0.000 0.430 287 E N -0.600 119.625 120.200 0.042 0.000 2.072 287 E HA -0.129 4.222 4.350 0.001 0.000 0.191 287 E C 1.857 178.489 176.600 0.052 0.000 0.985 287 E CA 1.176 57.599 56.400 0.039 0.000 0.801 287 E CB -1.028 28.700 29.700 0.047 0.000 0.750 287 E HN 0.877 nan 8.360 nan 0.000 0.452 288 Y N 0.756 121.052 120.300 -0.007 0.000 2.181 288 Y HA -0.069 4.482 4.550 0.001 0.000 0.288 288 Y C 2.848 178.749 175.900 0.002 0.000 1.146 288 Y CA 2.501 60.601 58.100 -0.000 0.000 1.164 288 Y CB -0.486 37.976 38.460 0.004 0.000 0.982 288 Y HN 0.301 nan 8.280 nan 0.000 0.515 289 I N 0.397 120.967 120.570 0.001 0.000 2.286 289 I HA -0.187 3.984 4.170 0.001 0.000 0.248 289 I C 2.299 178.333 176.117 -0.139 0.000 1.115 289 I CA 2.817 64.070 61.300 -0.077 0.000 1.392 289 I CB -2.191 35.782 38.000 -0.044 0.000 1.065 289 I HN 0.400 nan 8.210 nan 0.000 0.418 290 K N 0.865 121.203 120.400 -0.104 0.000 2.211 290 K HA -0.144 4.177 4.320 0.001 0.000 0.203 290 K C 2.199 178.732 176.600 -0.113 0.000 1.050 290 K CA 1.991 58.224 56.287 -0.090 0.000 0.945 290 K CB -1.874 30.592 32.500 -0.055 0.000 0.732 290 K HN 0.973 nan 8.250 nan 0.000 0.451 291 T N -1.488 112.965 114.554 -0.168 0.000 3.055 291 T HA 0.170 4.521 4.350 0.001 0.000 0.265 291 T C 0.916 175.502 174.700 -0.190 0.000 1.111 291 T CA -0.066 61.932 62.100 -0.170 0.000 1.118 291 T CB -0.368 68.387 68.868 -0.188 0.000 0.909 291 T HN 0.301 nan 8.240 nan 0.000 0.501 292 L N 3.002 124.079 121.223 -0.243 0.000 2.367 292 L HA 0.428 4.769 4.340 0.001 0.000 0.275 292 L C 0.518 177.342 176.870 -0.077 0.000 1.129 292 L CA -0.238 54.495 54.840 -0.180 0.000 0.839 292 L CB 0.938 42.887 42.059 -0.185 0.000 1.133 292 L HN 0.469 nan 8.230 nan 0.000 0.453 293 T N -0.285 114.253 114.554 -0.026 0.000 2.887 293 T HA 0.418 4.769 4.350 0.001 0.000 0.292 293 T C 0.914 175.637 174.700 0.038 0.000 1.087 293 T CA -0.177 61.921 62.100 -0.003 0.000 1.009 293 T CB 1.565 70.436 68.868 0.005 0.000 1.203 293 T HN 0.525 nan 8.240 nan 0.000 0.518 294 G N 0.295 109.111 108.800 0.027 0.000 2.433 294 G HA2 -0.206 3.754 3.960 0.001 0.000 0.216 294 G HA3 -0.206 3.754 3.960 0.001 0.000 0.216 294 G C 1.347 176.328 174.900 0.135 0.000 1.186 294 G CA 1.273 46.398 45.100 0.040 0.000 0.779 294 G HN 1.011 nan 8.290 nan 0.000 0.543 295 Q N 0.149 120.063 119.800 0.190 0.000 2.119 295 Q HA 0.031 4.372 4.340 0.001 0.000 0.201 295 Q C 2.316 178.446 176.000 0.218 0.000 0.972 295 Q CA 1.460 57.459 55.803 0.327 0.000 0.847 295 Q CB -0.288 28.614 28.738 0.273 0.000 0.903 295 Q HN 0.384 nan 8.270 nan 0.000 0.433 296 K N 0.040 120.519 120.400 0.131 0.000 2.063 296 K HA -0.143 4.177 4.320 0.001 0.000 0.208 296 K C 1.796 178.447 176.600 0.085 0.000 1.048 296 K CA 1.662 57.999 56.287 0.083 0.000 0.928 296 K CB -0.275 32.251 32.500 0.043 0.000 0.713 296 K HN 0.219 nan 8.250 nan 0.000 0.442 297 F N 1.495 121.428 119.950 -0.028 0.000 2.134 297 F HA -0.220 4.308 4.527 0.001 0.000 0.299 297 F C 1.814 177.578 175.800 -0.060 0.000 1.097 297 F CA 1.109 59.075 58.000 -0.057 0.000 1.264 297 F CB 0.061 39.011 39.000 -0.083 0.000 1.001 297 F HN -0.086 nan 8.300 nan 0.000 0.479 298 I N 0.535 121.172 120.570 0.112 0.000 2.179 298 I HA -0.268 3.903 4.170 0.001 0.000 0.242 298 I C 1.939 178.025 176.117 -0.052 0.000 1.088 298 I CA 1.480 62.761 61.300 -0.031 0.000 1.357 298 I CB -1.420 36.450 38.000 -0.216 0.000 1.051 298 I HN 0.152 nan 8.210 nan 0.000 0.409 299 D N 0.872 121.289 120.400 0.028 0.000 2.149 299 D HA -0.112 4.529 4.640 0.001 0.000 0.201 299 D C 2.218 178.493 176.300 -0.042 0.000 0.972 299 D CA 0.925 54.945 54.000 0.033 0.000 0.835 299 D CB -0.302 40.545 40.800 0.080 0.000 0.966 299 D HN 0.383 nan 8.370 nan 0.000 0.476 300 L N -0.974 120.191 121.223 -0.097 0.000 2.131 300 L HA -0.011 4.329 4.340 0.001 0.000 0.210 300 L C 2.064 178.831 176.870 -0.172 0.000 1.092 300 L CA 1.364 56.122 54.840 -0.135 0.000 0.759 300 L CB -0.834 41.131 42.059 -0.157 0.000 0.903 300 L HN -0.095 nan 8.230 nan 0.000 0.435 301 I N -0.330 120.101 120.570 -0.231 0.000 2.286 301 I HA -0.209 3.962 4.170 0.001 0.000 0.245 301 I C 2.676 178.738 176.117 -0.092 0.000 1.104 301 I CA 1.061 62.247 61.300 -0.192 0.000 1.397 301 I CB -0.395 37.454 38.000 -0.252 0.000 1.072 301 I HN 0.112 nan 8.210 nan 0.000 0.417 302 K N 0.538 120.898 120.400 -0.067 0.000 2.063 302 K HA -0.142 4.179 4.320 0.001 0.000 0.208 302 K C 1.456 178.051 176.600 -0.010 0.000 1.048 302 K CA 1.781 58.057 56.287 -0.018 0.000 0.928 302 K CB -0.971 31.535 32.500 0.010 0.000 0.713 302 K HN 0.578 nan 8.250 nan 0.000 0.442 303 N N 0.014 118.700 118.700 -0.022 0.000 2.398 303 N HA 0.199 4.940 4.740 0.001 0.000 0.188 303 N C 0.096 175.595 175.510 -0.020 0.000 1.122 303 N CA 0.001 53.043 53.050 -0.014 0.000 0.866 303 N CB 0.266 38.744 38.487 -0.015 0.000 0.970 303 N HN 0.281 nan 8.380 nan 0.000 0.462 304 A N 2.362 125.162 122.820 -0.032 0.000 2.573 304 A HA -0.062 4.259 4.320 0.001 0.000 0.250 304 A C 0.449 178.050 177.584 0.029 0.000 1.049 304 A CA 0.161 52.186 52.037 -0.019 0.000 0.767 304 A CB -0.054 18.939 19.000 -0.012 0.000 0.965 304 A HN 0.339 nan 8.150 nan 0.000 0.514 305 K N 3.165 123.603 120.400 0.063 0.000 2.249 305 K HA 0.447 4.768 4.320 0.001 0.000 0.280 305 K C -0.803 175.859 176.600 0.103 0.000 1.033 305 K CA -0.411 55.930 56.287 0.090 0.000 0.946 305 K CB 0.860 33.430 32.500 0.117 0.000 1.005 305 K HN 0.505 nan 8.250 nan 0.000 0.469 306 I N 3.025 123.637 120.570 0.070 0.000 2.453 306 I HA -0.001 4.170 4.170 0.001 0.000 0.300 306 I C 0.057 176.205 176.117 0.052 0.000 1.159 306 I CA 0.414 61.749 61.300 0.058 0.000 1.379 306 I CB 0.044 38.067 38.000 0.039 0.000 1.460 306 I HN 0.705 nan 8.210 nan 0.000 0.601 307 T N 5.762 120.353 114.554 0.061 0.000 2.889 307 T HA 0.389 4.740 4.350 0.001 0.000 0.315 307 T C -0.878 173.819 174.700 -0.005 0.000 1.291 307 T CA -0.599 61.514 62.100 0.022 0.000 1.028 307 T CB 1.343 70.222 68.868 0.018 0.000 1.235 307 T HN 0.172 nan 8.240 nan 0.000 0.491 308 L N 3.642 124.838 121.223 -0.045 0.000 2.410 308 L HA 0.639 4.980 4.340 0.001 0.000 0.273 308 L C -0.298 176.503 176.870 -0.114 0.000 1.152 308 L CA 0.445 55.244 54.840 -0.068 0.000 0.855 308 L CB 0.958 42.975 42.059 -0.069 0.000 1.129 308 L HN 0.449 nan 8.230 nan 0.000 0.463 309 V N 4.722 124.570 119.914 -0.111 0.000 2.668 309 V HA 0.695 4.816 4.120 0.001 0.000 0.304 309 V C -0.078 175.919 176.094 -0.161 0.000 1.071 309 V CA -0.464 61.749 62.300 -0.144 0.000 0.894 309 V CB 1.663 33.442 31.823 -0.073 0.000 1.008 309 V HN 0.839 nan 8.190 nan 0.000 0.425 310 R N 4.696 125.107 120.500 -0.149 0.000 2.309 310 R HA 0.806 5.147 4.340 0.001 0.000 0.331 310 R C 0.147 176.343 176.300 -0.174 0.000 1.116 310 R CA 0.334 56.346 56.100 -0.147 0.000 0.970 310 R CB 0.345 30.580 30.300 -0.108 0.000 1.024 310 R HN 1.856 nan 8.270 nan 0.000 0.472 311 A N 1.748 124.393 122.820 -0.291 0.000 2.305 311 A HA 0.678 4.999 4.320 0.001 0.000 0.322 311 A C -0.175 177.288 177.584 -0.201 0.000 1.187 311 A CA -0.461 51.300 52.037 -0.460 0.000 0.825 311 A CB 1.122 19.312 19.000 -1.350 0.000 1.164 311 A HN 0.731 nan 8.150 nan 0.000 0.498 312 S N 1.626 117.334 115.700 0.014 0.000 2.474 312 S HA 0.490 4.961 4.470 0.001 0.000 0.321 312 S C -0.850 173.961 174.600 0.351 0.000 1.080 312 S CA -0.386 57.897 58.200 0.139 0.000 1.106 312 S CB 0.889 64.129 63.200 0.065 0.000 0.984 312 S HN 0.706 nan 8.310 nan 0.000 0.464 313 L N 6.135 127.509 121.223 0.252 0.000 2.298 313 L HA 0.580 4.921 4.340 0.001 0.000 0.284 313 L C -2.614 174.258 176.870 0.003 0.000 1.013 313 L CA -2.244 52.731 54.840 0.225 0.000 0.824 313 L CB 0.889 43.049 42.059 0.169 0.000 1.221 313 L HN 0.272 nan 8.230 nan 0.000 0.418 314 P HA 0.051 nan 4.420 nan 0.000 0.268 314 P C -1.117 176.070 177.300 -0.189 0.000 1.204 314 P CA -0.185 62.729 63.100 -0.310 0.000 0.768 314 P CB 0.624 32.112 31.700 -0.353 0.000 0.842 315 K N 3.817 124.052 120.400 -0.275 0.000 2.276 315 K HA 0.398 4.719 4.320 0.001 0.000 0.283 315 K C -0.647 175.892 176.600 -0.102 0.000 1.044 315 K CA -0.331 55.792 56.287 -0.274 0.000 0.944 315 K CB -0.016 32.342 32.500 -0.236 0.000 1.012 315 K HN 0.454 nan 8.250 nan 0.000 0.472 316 F N 0.907 120.765 119.950 -0.153 0.000 2.641 316 F HA 0.505 5.033 4.527 0.001 0.000 0.308 316 F C -1.485 174.251 175.800 -0.106 0.000 1.105 316 F CA -1.135 56.823 58.000 -0.070 0.000 0.964 316 F CB 1.382 40.398 39.000 0.027 0.000 1.294 316 F HN 0.347 nan 8.300 nan 0.000 0.442 317 K N 3.031 123.543 120.400 0.188 0.000 2.615 317 K HA 0.568 4.888 4.320 0.001 0.000 0.249 317 K C -2.267 174.432 176.600 0.164 0.000 0.977 317 K CA -0.591 55.684 56.287 -0.020 0.000 0.833 317 K CB 2.020 34.501 32.500 -0.032 0.000 1.208 317 K HN 0.915 nan 8.250 nan 0.000 0.443 318 Y N -0.384 119.921 120.300 0.009 0.000 2.689 318 Y HA 0.496 5.047 4.550 0.001 0.000 0.333 318 Y C -1.311 174.695 175.900 0.178 0.000 1.208 318 Y CA -1.195 56.976 58.100 0.118 0.000 1.055 318 Y CB 1.059 39.602 38.460 0.139 0.000 1.304 318 Y HN 0.428 nan 8.280 nan 0.000 0.455 319 E N 0.621 121.110 120.200 0.481 0.000 2.221 319 E HA 0.499 4.849 4.350 0.001 0.000 0.268 319 E C -2.126 174.800 176.600 0.543 0.000 0.933 319 E CA -1.128 55.544 56.400 0.453 0.000 0.809 319 E CB 2.793 32.698 29.700 0.343 0.000 1.190 319 E HN 0.609 nan 8.360 nan 0.000 0.406 320 Y N 0.174 120.657 120.300 0.305 0.000 2.513 320 Y HA 0.347 4.898 4.550 0.002 0.000 0.340 320 Y C -1.431 174.576 175.900 0.179 0.000 1.055 320 Y CA -0.417 57.839 58.100 0.260 0.000 1.020 320 Y CB 2.153 40.818 38.460 0.342 0.000 1.301 320 Y HN 0.411 nan 8.280 nan 0.000 0.453 321 T N 7.343 121.646 114.554 -0.419 0.000 2.848 321 T HA 0.580 4.930 4.350 0.001 0.000 0.285 321 T C -1.473 172.888 174.700 -0.564 0.000 0.995 321 T CA -0.489 61.414 62.100 -0.329 0.000 0.970 321 T CB 1.141 69.925 68.868 -0.141 0.000 0.976 321 T HN 0.624 nan 8.240 nan 0.000 0.441 322 I N 1.860 122.267 120.570 -0.272 0.000 2.499 322 I HA 0.650 4.821 4.170 0.001 0.000 0.288 322 I C -0.191 175.928 176.117 0.004 0.000 1.048 322 I CA -0.832 60.384 61.300 -0.141 0.000 1.062 322 I CB 1.081 39.081 38.000 0.001 0.000 1.238 322 I HN 0.665 nan 8.210 nan 0.000 0.426 323 K N 7.206 127.594 120.400 -0.019 0.000 2.310 323 K HA 0.335 4.656 4.320 0.001 0.000 0.290 323 K C 0.025 176.624 176.600 -0.003 0.000 1.077 323 K CA -0.157 56.131 56.287 0.001 0.000 0.922 323 K CB 0.482 32.964 32.500 -0.031 0.000 1.057 323 K HN 0.828 nan 8.250 nan 0.000 0.479 324 M N 2.043 121.661 119.600 0.030 0.000 2.563 324 M HA -0.016 4.464 4.480 0.001 0.000 0.231 324 M C 0.771 177.025 176.300 -0.076 0.000 1.136 324 M CA 0.179 55.487 55.300 0.013 0.000 1.026 324 M CB -0.035 32.604 32.600 0.065 0.000 1.597 324 M HN 0.794 nan 8.290 nan 0.000 0.495 325 N N 1.398 119.980 118.700 -0.197 0.000 2.018 325 N HA -0.204 4.537 4.740 0.001 0.000 0.196 325 N C 1.365 176.538 175.510 -0.562 0.000 1.043 325 N CA 1.573 54.237 53.050 -0.643 0.000 0.856 325 N CB -0.282 37.866 38.487 -0.565 0.000 1.042 325 N HN 0.414 nan 8.380 nan 0.000 0.423 326 E N -0.399 119.627 120.200 -0.289 0.000 2.110 326 E HA -0.100 4.251 4.350 0.001 0.000 0.193 326 E C 1.654 178.182 176.600 -0.119 0.000 0.988 326 E CA 1.219 57.511 56.400 -0.180 0.000 0.804 326 E CB -0.178 29.464 29.700 -0.097 0.000 0.745 326 E HN 0.395 nan 8.360 nan 0.000 0.458 327 T N 1.473 115.970 114.554 -0.095 0.000 2.746 327 T HA -0.103 4.248 4.350 0.001 0.000 0.267 327 T C 1.952 176.637 174.700 -0.024 0.000 1.039 327 T CA 0.817 62.883 62.100 -0.057 0.000 1.142 327 T CB -0.074 68.765 68.868 -0.048 0.000 0.866 327 T HN 0.089 nan 8.240 nan 0.000 0.444 328 L N 0.340 121.565 121.223 0.005 0.000 2.179 328 L HA 0.055 4.396 4.340 0.001 0.000 0.208 328 L C 2.598 179.567 176.870 0.165 0.000 1.096 328 L CA 0.966 55.891 54.840 0.141 0.000 0.779 328 L CB -0.420 41.834 42.059 0.325 0.000 0.922 328 L HN 0.262 nan 8.230 nan 0.000 0.443 329 E N 0.057 120.292 120.200 0.059 0.000 2.110 329 E HA -0.203 4.148 4.350 0.001 0.000 0.193 329 E C 2.184 178.815 176.600 0.051 0.000 0.988 329 E CA 1.566 58.011 56.400 0.075 0.000 0.804 329 E CB -0.036 29.647 29.700 -0.028 0.000 0.745 329 E HN 0.474 nan 8.360 nan 0.000 0.458 330 S N 0.186 115.895 115.700 0.015 0.000 2.561 330 S HA 0.022 4.493 4.470 0.001 0.000 0.225 330 S C 1.657 176.267 174.600 0.017 0.000 0.977 330 S CA 0.293 58.496 58.200 0.006 0.000 0.926 330 S CB -0.067 63.121 63.200 -0.020 0.000 0.769 330 S HN 0.169 nan 8.310 nan 0.000 0.533 331 L N 0.548 121.798 121.223 0.045 0.000 2.607 331 L HA 0.398 4.739 4.340 0.001 0.000 0.228 331 L C 1.750 178.667 176.870 0.078 0.000 1.123 331 L CA 0.369 55.246 54.840 0.061 0.000 0.890 331 L CB -0.297 41.818 42.059 0.094 0.000 1.103 331 L HN 0.581 nan 8.230 nan 0.000 0.468 332 G N 0.491 109.338 108.800 0.079 0.000 2.179 332 G HA2 -0.286 3.675 3.960 0.001 0.000 0.220 332 G HA3 -0.286 3.675 3.960 0.001 0.000 0.220 332 G C 0.283 175.240 174.900 0.095 0.000 0.990 332 G CA -0.065 45.079 45.100 0.073 0.000 0.646 332 G HN 0.250 nan 8.290 nan 0.000 0.517 333 M N 3.118 122.806 119.600 0.146 0.000 2.923 333 M HA 0.414 4.894 4.480 0.001 0.000 0.311 333 M C 1.549 178.016 176.300 0.280 0.000 1.376 333 M CA 0.704 56.114 55.300 0.183 0.000 1.468 333 M CB 0.060 32.800 32.600 0.233 0.000 1.151 333 M HN 0.332 nan 8.290 nan 0.000 0.517 334 T N -1.491 113.174 114.554 0.185 0.000 3.056 334 T HA 0.112 4.462 4.350 0.001 0.000 0.241 334 T C 1.031 175.839 174.700 0.179 0.000 1.006 334 T CA 0.378 62.609 62.100 0.217 0.000 1.115 334 T CB -0.031 68.908 68.868 0.118 0.000 0.939 334 T HN 0.442 nan 8.240 nan 0.000 0.462 335 D N 2.492 122.932 120.400 0.066 0.000 2.144 335 D HA 0.106 4.747 4.640 0.001 0.000 0.199 335 D C 2.322 178.613 176.300 -0.016 0.000 0.984 335 D CA 1.381 55.384 54.000 0.005 0.000 0.834 335 D CB -0.545 40.222 40.800 -0.056 0.000 0.955 335 D HN 0.549 nan 8.370 nan 0.000 0.465 336 A N -0.361 122.407 122.820 -0.085 0.000 2.024 336 A HA -0.148 4.173 4.320 0.001 0.000 0.220 336 A C 1.561 179.100 177.584 -0.075 0.000 1.164 336 A CA 0.966 52.936 52.037 -0.112 0.000 0.643 336 A CB -0.782 18.067 19.000 -0.252 0.000 0.806 336 A HN 0.273 nan 8.150 nan 0.000 0.451 337 F N -1.052 119.010 119.950 0.187 0.000 2.727 337 F HA 0.357 4.884 4.527 0.001 0.000 0.302 337 F C 0.178 176.009 175.800 0.052 0.000 1.097 337 F CA 0.009 58.118 58.000 0.182 0.000 1.330 337 F CB 0.287 39.358 39.000 0.118 0.000 1.084 337 F HN -0.063 nan 8.300 nan 0.000 0.578 338 L N 2.464 123.749 121.223 0.104 0.000 2.324 338 L HA 0.302 4.643 4.340 0.001 0.000 0.274 338 L C -1.525 175.235 176.870 -0.184 0.000 1.012 338 L CA -1.870 52.927 54.840 -0.071 0.000 0.859 338 L CB 1.431 43.484 42.059 -0.010 0.000 1.224 338 L HN -0.229 nan 8.230 nan 0.000 0.429 339 P HA -0.214 nan 4.420 nan 0.000 0.218 339 P C 0.728 177.950 177.300 -0.129 0.000 1.146 339 P CA 1.237 64.077 63.100 -0.432 0.000 0.820 339 P CB 0.439 31.764 31.700 -0.625 0.000 0.778 340 D N -1.542 118.791 120.400 -0.113 0.000 2.348 340 D HA -0.034 4.607 4.640 0.001 0.000 0.211 340 D C 1.693 177.970 176.300 -0.037 0.000 0.998 340 D CA 0.774 54.740 54.000 -0.056 0.000 0.873 340 D CB 0.136 40.905 40.800 -0.052 0.000 0.925 340 D HN -0.026 nan 8.370 nan 0.000 0.524 341 K N -0.195 120.181 120.400 -0.040 0.000 2.380 341 K HA 0.329 4.649 4.320 0.001 0.000 0.200 341 K C 0.653 177.224 176.600 -0.048 0.000 1.201 341 K CA 0.060 56.326 56.287 -0.036 0.000 0.916 341 K CB 0.017 32.499 32.500 -0.030 0.000 1.187 341 K HN 0.003 nan 8.250 nan 0.000 0.498 342 A N 2.822 125.624 122.820 -0.029 0.000 2.587 342 A HA -0.047 4.273 4.320 0.001 0.000 0.235 342 A C -0.175 177.338 177.584 -0.119 0.000 1.044 342 A CA 0.567 52.561 52.037 -0.071 0.000 0.754 342 A CB -0.053 19.025 19.000 0.129 0.000 0.968 342 A HN 0.188 nan 8.150 nan 0.000 0.509 343 D N 2.081 122.291 120.400 -0.317 0.000 2.446 343 D HA 0.416 5.057 4.640 0.001 0.000 0.251 343 D C -1.108 174.925 176.300 -0.445 0.000 1.137 343 D CA -0.173 53.672 54.000 -0.258 0.000 0.890 343 D CB 0.122 40.805 40.800 -0.194 0.000 1.071 343 D HN 0.352 nan 8.370 nan 0.000 0.528 344 F N 1.609 121.522 119.950 -0.062 0.000 2.908 344 F HA 0.055 4.582 4.527 0.001 0.000 0.328 344 F C 2.100 177.842 175.800 -0.096 0.000 1.211 344 F CA -0.345 57.592 58.000 -0.105 0.000 1.291 344 F CB 0.640 39.558 39.000 -0.137 0.000 0.962 344 F HN 0.261 nan 8.300 nan 0.000 0.505 345 S N -1.133 114.590 115.700 0.038 0.000 2.515 345 S HA -0.102 4.369 4.470 0.001 0.000 0.231 345 S C 1.656 176.256 174.600 -0.000 0.000 0.987 345 S CA 0.625 58.838 58.200 0.022 0.000 0.936 345 S CB -0.183 63.016 63.200 -0.002 0.000 0.766 345 S HN 0.419 nan 8.310 nan 0.000 0.528 346 K N 0.549 120.939 120.400 -0.016 0.000 2.400 346 K HA 0.313 4.634 4.320 0.001 0.000 0.194 346 K C 1.533 178.066 176.600 -0.113 0.000 1.033 346 K CA 0.156 56.428 56.287 -0.025 0.000 1.021 346 K CB -0.175 32.330 32.500 0.008 0.000 0.808 346 K HN 0.392 nan 8.250 nan 0.000 0.505 347 L N -0.141 120.951 121.223 -0.218 0.000 2.109 347 L HA -0.037 4.304 4.340 0.001 0.000 0.207 347 L C 1.222 178.062 176.870 -0.050 0.000 1.086 347 L CA 0.852 55.439 54.840 -0.422 0.000 0.760 347 L CB -0.233 41.624 42.059 -0.336 0.000 0.910 347 L HN 0.305 nan 8.230 nan 0.000 0.437 348 G N -0.735 108.065 108.800 0.000 0.000 2.350 348 G HA2 -0.001 3.960 3.960 0.001 0.000 0.282 348 G HA3 -0.001 3.960 3.960 0.001 0.000 0.282 348 G C -1.660 173.178 174.900 -0.104 0.000 1.314 348 G CA -0.766 44.242 45.100 -0.154 0.000 0.915 348 G HN -0.108 nan 8.290 nan 0.000 0.499 349 K N 0.199 120.428 120.400 -0.284 0.000 2.201 349 K HA 0.618 4.939 4.320 0.001 0.000 0.278 349 K C -0.390 176.172 176.600 -0.063 0.000 1.027 349 K CA -0.164 56.038 56.287 -0.140 0.000 0.909 349 K CB 1.258 33.669 32.500 -0.148 0.000 1.062 349 K HN 0.611 nan 8.250 nan 0.000 0.465 350 S N 2.142 117.895 115.700 0.088 0.000 2.501 350 S HA 0.364 4.835 4.470 0.001 0.000 0.301 350 S C 0.102 174.742 174.600 0.067 0.000 1.096 350 S CA -0.010 58.280 58.200 0.151 0.000 1.063 350 S CB 1.427 64.730 63.200 0.171 0.000 1.042 350 S HN 0.692 nan 8.310 nan 0.000 0.494 351 D N 1.848 122.284 120.400 0.061 0.000 2.431 351 D HA 0.483 5.124 4.640 0.001 0.000 0.213 351 D C 0.916 177.238 176.300 0.037 0.000 1.130 351 D CA 0.627 54.648 54.000 0.035 0.000 0.834 351 D CB -0.295 40.518 40.800 0.023 0.000 0.985 351 D HN 0.813 nan 8.370 nan 0.000 0.504 352 I N -1.527 119.070 120.570 0.046 0.000 4.181 352 I HA 0.698 4.869 4.170 0.001 0.000 0.331 352 I C 1.446 177.588 176.117 0.041 0.000 1.312 352 I CA 0.888 62.211 61.300 0.037 0.000 1.146 352 I CB 0.286 38.303 38.000 0.028 0.000 1.074 352 I HN 0.905 nan 8.210 nan 0.000 0.402 353 G N -0.298 108.531 108.800 0.049 0.000 2.369 353 G HA2 0.113 4.074 3.960 0.001 0.000 0.295 353 G HA3 0.113 4.074 3.960 0.001 0.000 0.295 353 G C -0.840 174.104 174.900 0.073 0.000 1.298 353 G CA -0.138 44.997 45.100 0.058 0.000 0.940 353 G HN 0.577 nan 8.290 nan 0.000 0.536 354 N N 0.270 119.023 118.700 0.089 0.000 2.475 354 N HA 0.243 4.983 4.740 0.001 0.000 0.267 354 N C 0.247 175.863 175.510 0.176 0.000 1.169 354 N CA -0.106 53.011 53.050 0.112 0.000 0.947 354 N CB 0.219 38.762 38.487 0.094 0.000 1.061 354 N HN 0.431 nan 8.380 nan 0.000 0.466 355 L N 4.633 125.942 121.223 0.143 0.000 2.349 355 L HA 0.275 4.615 4.340 0.001 0.000 0.275 355 L C -0.336 176.685 176.870 0.251 0.000 1.115 355 L CA -0.538 54.354 54.840 0.087 0.000 0.820 355 L CB 0.253 42.301 42.059 -0.018 0.000 1.135 355 L HN 0.596 nan 8.230 nan 0.000 0.445 356 Y N 0.827 121.130 120.300 0.005 0.000 2.638 356 Y HA 0.612 5.163 4.550 0.001 0.000 0.335 356 Y C -0.856 174.969 175.900 -0.125 0.000 1.155 356 Y CA -1.481 56.660 58.100 0.067 0.000 1.046 356 Y CB 0.885 39.398 38.460 0.088 0.000 1.303 356 Y HN 0.262 nan 8.280 nan 0.000 0.460 357 I N 3.158 123.699 120.570 -0.049 0.000 2.379 357 I HA 0.129 4.300 4.170 0.001 0.000 0.290 357 I C 0.854 177.050 176.117 0.132 0.000 1.063 357 I CA 0.180 61.380 61.300 -0.168 0.000 1.351 357 I CB 1.345 39.193 38.000 -0.253 0.000 1.410 357 I HN 0.875 nan 8.210 nan 0.000 0.505 358 S N 4.593 120.233 115.700 -0.101 0.000 2.406 358 S HA 0.001 4.472 4.470 0.001 0.000 0.224 358 S C 0.449 175.163 174.600 0.189 0.000 1.030 358 S CA 0.116 58.384 58.200 0.113 0.000 0.958 358 S CB -0.093 63.065 63.200 -0.071 0.000 0.811 358 S HN 0.805 nan 8.310 nan 0.000 0.489 359 E N -0.450 119.833 120.200 0.138 0.000 2.375 359 E HA 0.533 4.884 4.350 0.001 0.000 0.280 359 E C -1.932 174.780 176.600 0.186 0.000 0.972 359 E CA -1.177 55.328 56.400 0.175 0.000 0.782 359 E CB 1.743 31.501 29.700 0.096 0.000 1.229 359 E HN -0.042 nan 8.360 nan 0.000 0.439 360 V N 2.906 122.958 119.914 0.230 0.000 2.294 360 V HA 0.254 4.375 4.120 0.001 0.000 0.272 360 V C -0.497 175.695 176.094 0.164 0.000 1.027 360 V CA -0.692 61.733 62.300 0.207 0.000 0.823 360 V CB 0.615 32.596 31.823 0.263 0.000 1.030 360 V HN 0.620 nan 8.190 nan 0.000 0.457 361 L N 4.702 126.017 121.223 0.154 0.000 2.305 361 L HA 0.554 4.894 4.340 0.001 0.000 0.281 361 L C -0.450 176.546 176.870 0.211 0.000 1.085 361 L CA 0.110 55.033 54.840 0.138 0.000 0.813 361 L CB 0.794 42.907 42.059 0.089 0.000 1.157 361 L HN 0.690 nan 8.230 nan 0.000 0.436 362 H N 4.005 123.124 119.070 0.081 0.000 2.800 362 H HA 0.514 5.071 4.556 0.001 0.000 0.322 362 H C -1.222 174.175 175.328 0.116 0.000 0.979 362 H CA -0.513 55.606 56.048 0.118 0.000 1.277 362 H CB 0.801 30.648 29.762 0.140 0.000 1.484 362 H HN 0.565 nan 8.280 nan 0.000 0.512 363 K N 3.573 123.894 120.400 -0.131 0.000 2.270 363 K HA 0.465 4.785 4.320 0.001 0.000 0.255 363 K C -0.771 175.805 176.600 -0.039 0.000 0.936 363 K CA -0.836 55.427 56.287 -0.040 0.000 0.809 363 K CB 1.986 34.496 32.500 0.016 0.000 1.131 363 K HN 0.739 nan 8.250 nan 0.000 0.427 364 T N -1.089 113.552 114.554 0.145 0.000 2.883 364 T HA 0.705 5.055 4.350 0.001 0.000 0.296 364 T C -1.131 173.770 174.700 0.335 0.000 1.117 364 T CA -0.852 61.403 62.100 0.259 0.000 1.006 364 T CB 1.195 70.278 68.868 0.359 0.000 1.191 364 T HN 0.482 nan 8.240 nan 0.000 0.508 365 F N 0.743 120.753 119.950 0.100 0.000 2.608 365 F HA 0.813 5.341 4.527 0.001 0.000 0.309 365 F C -2.058 173.663 175.800 -0.132 0.000 1.103 365 F CA -1.208 56.788 58.000 -0.006 0.000 0.954 365 F CB 1.520 40.521 39.000 0.001 0.000 1.267 365 F HN 0.911 nan 8.300 nan 0.000 0.444 366 I N 3.785 123.654 120.570 -1.167 0.000 2.827 366 I HA 0.580 4.751 4.170 0.001 0.000 0.298 366 I C -1.698 173.742 176.117 -1.130 0.000 1.235 366 I CA -0.280 60.423 61.300 -0.995 0.000 1.021 366 I CB 2.209 39.909 38.000 -0.501 0.000 1.259 366 I HN 0.607 nan 8.210 nan 0.000 0.427 367 S N 5.658 120.894 115.700 -0.774 0.000 2.779 367 S HA 0.576 5.047 4.470 0.001 0.000 0.293 367 S C -1.376 172.940 174.600 -0.474 0.000 1.150 367 S CA -0.435 57.441 58.200 -0.539 0.000 1.057 367 S CB 1.134 64.144 63.200 -0.316 0.000 1.021 367 S HN 0.356 nan 8.310 nan 0.000 0.485 368 V N 6.421 125.928 119.914 -0.679 0.000 2.347 368 V HA 0.498 4.619 4.120 0.001 0.000 0.280 368 V C -0.143 175.705 176.094 -0.409 0.000 1.021 368 V CA -0.456 61.467 62.300 -0.629 0.000 0.847 368 V CB 1.176 32.334 31.823 -1.107 0.000 0.990 368 V HN 0.957 nan 8.190 nan 0.000 0.444 369 D N 3.117 123.420 120.400 -0.161 0.000 2.846 369 D HA 0.281 4.922 4.640 0.001 0.000 0.273 369 D C 0.600 177.007 176.300 0.179 0.000 1.145 369 D CA -0.618 53.346 54.000 -0.061 0.000 1.091 369 D CB 1.035 41.796 40.800 -0.065 0.000 1.364 369 D HN 0.155 nan 8.370 nan 0.000 0.613 370 E N -0.879 119.418 120.200 0.161 0.000 2.274 370 E HA 0.112 4.463 4.350 0.001 0.000 0.194 370 E C 1.583 178.493 176.600 0.517 0.000 0.996 370 E CA 0.825 57.431 56.400 0.343 0.000 0.840 370 E CB -0.148 29.662 29.700 0.183 0.000 0.772 370 E HN 0.364 nan 8.360 nan 0.000 0.491 371 L N -1.735 119.672 121.223 0.307 0.000 2.470 371 L HA 0.361 4.702 4.340 0.001 0.000 0.219 371 L C 1.214 178.079 176.870 -0.009 0.000 1.071 371 L CA 0.365 55.327 54.840 0.202 0.000 0.850 371 L CB 0.421 42.520 42.059 0.066 0.000 1.040 371 L HN 0.210 nan 8.230 nan 0.000 0.475 372 G N -1.162 107.462 108.800 -0.293 0.000 2.512 372 G HA2 0.268 4.229 3.960 0.001 0.000 0.181 372 G HA3 0.268 4.229 3.960 0.001 0.000 0.181 372 G C -1.267 173.263 174.900 -0.616 0.000 1.173 372 G CA -0.203 44.366 45.100 -0.884 0.000 0.988 372 G HN -0.209 nan 8.290 nan 0.000 0.485 373 T N 0.956 115.222 114.554 -0.479 0.000 3.032 373 T HA 0.593 4.943 4.350 0.001 0.000 0.312 373 T C -0.974 173.579 174.700 -0.244 0.000 1.078 373 T CA -0.592 61.330 62.100 -0.297 0.000 1.028 373 T CB 1.964 70.767 68.868 -0.107 0.000 1.091 373 T HN 0.512 nan 8.240 nan 0.000 0.457 374 K N 1.685 121.973 120.400 -0.188 0.000 2.206 374 K HA 0.840 5.161 4.320 0.001 0.000 0.264 374 K C -0.843 175.688 176.600 -0.115 0.000 0.967 374 K CA -0.759 55.469 56.287 -0.098 0.000 0.844 374 K CB 1.947 34.457 32.500 0.018 0.000 1.099 374 K HN 0.705 nan 8.250 nan 0.000 0.441 375 A N 1.637 124.428 122.820 -0.048 0.000 2.488 375 A HA 0.772 5.093 4.320 0.001 0.000 0.298 375 A C -0.872 176.713 177.584 0.003 0.000 1.044 375 A CA -0.666 51.184 52.037 -0.310 0.000 0.693 375 A CB 1.818 20.181 19.000 -1.062 0.000 1.272 375 A HN 0.739 nan 8.150 nan 0.000 0.402 376 G N -0.173 108.739 108.800 0.186 0.000 2.563 376 G HA2 0.881 4.842 3.960 0.001 0.000 0.302 376 G HA3 0.881 4.842 3.960 0.001 0.000 0.302 376 G C -0.754 174.440 174.900 0.491 0.000 1.301 376 G CA 0.010 45.340 45.100 0.384 0.000 0.965 376 G HN 1.921 nan 8.290 nan 0.000 0.480 377 A N 0.273 123.325 122.820 0.385 0.000 2.520 377 A HA 0.800 5.120 4.320 0.001 0.000 0.298 377 A C -1.301 176.359 177.584 0.127 0.000 1.051 377 A CA -0.542 51.622 52.037 0.212 0.000 0.690 377 A CB 1.993 21.080 19.000 0.146 0.000 1.281 377 A HN 1.366 nan 8.150 nan 0.000 0.402 378 V N 1.226 121.167 119.914 0.044 0.000 2.638 378 V HA 0.688 4.809 4.120 0.001 0.000 0.306 378 V C -0.324 175.849 176.094 0.133 0.000 1.052 378 V CA -0.463 61.907 62.300 0.117 0.000 0.885 378 V CB 2.062 33.956 31.823 0.118 0.000 0.999 378 V HN 0.910 nan 8.190 nan 0.000 0.424 379 T N 2.884 117.589 114.554 0.252 0.000 2.791 379 T HA 0.480 4.831 4.350 0.001 0.000 0.288 379 T C -0.117 174.723 174.700 0.232 0.000 0.999 379 T CA -0.423 61.863 62.100 0.311 0.000 0.952 379 T CB 1.289 70.377 68.868 0.367 0.000 0.938 379 T HN 0.835 nan 8.240 nan 0.000 0.444 380 S N 2.769 118.586 115.700 0.195 0.000 2.454 380 S HA 0.667 5.138 4.470 0.001 0.000 0.306 380 S C -0.462 174.242 174.600 0.173 0.000 1.100 380 S CA -0.640 57.666 58.200 0.176 0.000 1.087 380 S CB 0.925 64.202 63.200 0.128 0.000 1.019 380 S HN 0.407 nan 8.310 nan 0.000 0.480 381 V N 3.939 123.943 119.914 0.149 0.000 2.370 381 V HA 0.421 4.542 4.120 0.001 0.000 0.283 381 V C -0.386 175.697 176.094 -0.019 0.000 1.023 381 V CA -0.669 61.672 62.300 0.068 0.000 0.857 381 V CB 1.380 33.214 31.823 0.019 0.000 0.985 381 V HN 0.961 nan 8.190 nan 0.000 0.443 382 D N 4.979 125.328 120.400 -0.086 0.000 2.373 382 D HA 0.336 4.977 4.640 0.001 0.000 0.227 382 D C -0.561 175.486 176.300 -0.421 0.000 1.091 382 D CA -0.410 53.409 54.000 -0.301 0.000 0.840 382 D CB 1.059 41.767 40.800 -0.153 0.000 1.060 382 D HN 0.205 nan 8.370 nan 0.000 0.502 383 I N 3.266 123.508 120.570 -0.547 0.000 2.304 383 I HA 0.253 4.424 4.170 0.001 0.000 0.291 383 I C 0.802 176.585 176.117 -0.557 0.000 1.018 383 I CA -0.228 60.722 61.300 -0.584 0.000 1.260 383 I CB 0.711 38.346 38.000 -0.608 0.000 1.390 383 I HN 0.264 nan 8.210 nan 0.000 0.475 384 T N 3.864 118.050 114.554 -0.613 0.000 2.883 384 T HA 0.699 5.050 4.350 0.001 0.000 0.296 384 T C 0.637 175.080 174.700 -0.428 0.000 1.117 384 T CA 0.039 61.838 62.100 -0.502 0.000 1.006 384 T CB 1.977 70.570 68.868 -0.458 0.000 1.191 384 T HN 0.601 nan 8.240 nan 0.000 0.508 385 A N 1.173 123.884 122.820 -0.182 0.000 2.014 385 A HA 0.796 5.117 4.320 0.001 0.000 0.210 385 A C 1.019 178.694 177.584 0.151 0.000 1.188 385 A CA 0.897 52.928 52.037 -0.009 0.000 0.731 385 A CB -0.314 18.681 19.000 -0.008 0.000 0.858 385 A HN 1.085 nan 8.150 nan 0.000 0.464 386 A N -2.363 120.550 122.820 0.156 0.000 2.486 386 A HA 0.732 5.052 4.320 0.001 0.000 0.289 386 A C 0.661 178.407 177.584 0.271 0.000 1.176 386 A CA -0.080 52.077 52.037 0.201 0.000 0.757 386 A CB 0.159 19.217 19.000 0.097 0.000 1.337 386 A HN 2.101 nan 8.150 nan 0.000 0.423 387 G N -1.432 107.471 108.800 0.172 0.000 2.741 387 G HA2 0.291 4.252 3.960 0.001 0.000 0.222 387 G HA3 0.291 4.252 3.960 0.001 0.000 0.222 387 G C -0.678 174.303 174.900 0.135 0.000 1.364 387 G CA 0.243 45.427 45.100 0.140 0.000 0.866 387 G HN 2.208 nan 8.290 nan 0.000 0.555 388 I N 0.718 121.348 120.570 0.099 0.000 2.649 388 I HA 0.602 4.773 4.170 0.001 0.000 0.289 388 I C -2.264 173.896 176.117 0.071 0.000 1.222 388 I CA -1.814 59.509 61.300 0.039 0.000 1.046 388 I CB 2.059 40.040 38.000 -0.031 0.000 1.272 388 I HN 0.597 nan 8.210 nan 0.000 0.425 389 P HA 0.376 nan 4.420 nan 0.000 0.271 389 P C -1.385 175.911 177.300 -0.006 0.000 1.218 389 P CA -0.285 62.852 63.100 0.062 0.000 0.780 389 P CB 0.763 32.525 31.700 0.103 0.000 0.901 390 V N 3.231 123.108 119.914 -0.061 0.000 2.531 390 V HA 0.390 4.511 4.120 0.001 0.000 0.301 390 V C -0.388 175.568 176.094 -0.231 0.000 1.034 390 V CA -0.527 61.702 62.300 -0.119 0.000 0.865 390 V CB 1.642 33.389 31.823 -0.126 0.000 0.995 390 V HN 0.579 nan 8.190 nan 0.000 0.424 391 N N 3.682 122.261 118.700 -0.202 0.000 2.225 391 N HA 0.772 5.513 4.740 0.001 0.000 0.298 391 N C -1.512 173.961 175.510 -0.061 0.000 1.076 391 N CA -0.562 52.361 53.050 -0.211 0.000 0.792 391 N CB 2.112 40.532 38.487 -0.112 0.000 1.498 391 N HN 0.395 nan 8.380 nan 0.000 0.474 392 F N 0.616 120.549 119.950 -0.027 0.000 2.523 392 F HA 0.615 5.142 4.527 0.001 0.000 0.329 392 F C 0.309 176.092 175.800 -0.027 0.000 1.061 392 F CA -0.974 57.011 58.000 -0.025 0.000 0.967 392 F CB 1.452 40.441 39.000 -0.018 0.000 1.218 392 F HN 0.182 nan 8.300 nan 0.000 0.480 393 K N 0.431 120.941 120.400 0.183 0.000 2.513 393 K HA 0.503 4.824 4.320 0.001 0.000 0.251 393 K C -1.099 175.533 176.600 0.053 0.000 0.939 393 K CA -0.531 55.806 56.287 0.083 0.000 0.793 393 K CB 2.033 34.557 32.500 0.040 0.000 1.241 393 K HN 0.843 nan 8.250 nan 0.000 0.431 394 T N -0.944 113.636 114.554 0.043 0.000 2.925 394 T HA 0.541 4.892 4.350 0.001 0.000 0.285 394 T C -0.144 174.563 174.700 0.012 0.000 1.021 394 T CA -0.766 61.350 62.100 0.027 0.000 1.042 394 T CB 1.450 70.340 68.868 0.036 0.000 1.037 394 T HN 0.133 nan 8.240 nan 0.000 0.481 395 V N 2.050 121.967 119.914 0.005 0.000 2.472 395 V HA 0.477 4.598 4.120 0.001 0.000 0.290 395 V C 0.398 176.491 176.094 -0.002 0.000 1.037 395 V CA -1.125 61.171 62.300 -0.007 0.000 0.908 395 V CB 1.258 33.075 31.823 -0.010 0.000 0.985 395 V HN 0.997 nan 8.190 nan 0.000 0.454 396 K N 3.424 123.814 120.400 -0.017 0.000 2.416 396 K HA 0.456 4.777 4.320 0.001 0.000 0.283 396 K C 0.191 176.789 176.600 -0.003 0.000 1.037 396 K CA 0.641 56.920 56.287 -0.013 0.000 0.995 396 K CB 0.702 33.177 32.500 -0.043 0.000 0.938 396 K HN 0.654 nan 8.250 nan 0.000 0.475 397 L N 2.392 123.622 121.223 0.010 0.000 2.840 397 L HA 0.402 4.743 4.340 0.001 0.000 0.249 397 L C 0.271 177.148 176.870 0.012 0.000 1.119 397 L CA -0.093 54.754 54.840 0.011 0.000 0.930 397 L CB -0.579 41.489 42.059 0.016 0.000 1.295 397 L HN 0.602 nan 8.230 nan 0.000 0.534 398 N N 0.309 119.019 118.700 0.016 0.000 2.417 398 N HA 0.469 5.210 4.740 0.001 0.000 0.300 398 N C -0.445 175.076 175.510 0.019 0.000 1.102 398 N CA -0.516 52.543 53.050 0.015 0.000 0.886 398 N CB 1.710 40.210 38.487 0.021 0.000 1.203 398 N HN 0.446 nan 8.380 nan 0.000 0.496 399 R N 2.069 122.579 120.500 0.015 0.000 2.351 399 R HA 0.217 4.558 4.340 0.001 0.000 0.318 399 R C -2.263 174.059 176.300 0.036 0.000 1.055 399 R CA -0.885 55.222 56.100 0.012 0.000 0.968 399 R CB 0.269 30.565 30.300 -0.006 0.000 0.974 399 R HN 0.372 nan 8.270 nan 0.000 0.439 400 P HA 0.092 nan 4.420 nan 0.000 0.293 400 P C -1.156 176.226 177.300 0.138 0.000 1.291 400 P CA -0.600 62.561 63.100 0.101 0.000 0.867 400 P CB 0.813 32.571 31.700 0.095 0.000 1.074 401 F N 3.437 123.428 119.950 0.068 0.000 2.494 401 F HA 0.292 4.820 4.527 0.001 0.000 0.369 401 F C -0.083 175.811 175.800 0.157 0.000 1.098 401 F CA -0.121 57.948 58.000 0.116 0.000 1.154 401 F CB -0.102 38.994 39.000 0.161 0.000 1.103 401 F HN 0.126 nan 8.300 nan 0.000 0.549 402 I N 7.748 128.256 120.570 -0.105 0.000 2.440 402 I HA 0.337 4.508 4.170 0.001 0.000 0.294 402 I C -0.508 175.570 176.117 -0.065 0.000 0.995 402 I CA -0.593 60.689 61.300 -0.030 0.000 1.306 402 I CB 1.060 39.059 38.000 -0.002 0.000 1.407 402 I HN 0.585 nan 8.210 nan 0.000 0.501 403 F N 3.969 123.871 119.950 -0.080 0.000 2.643 403 F HA 0.954 5.482 4.527 0.001 0.000 0.314 403 F C -1.024 174.626 175.800 -0.250 0.000 1.096 403 F CA -1.002 56.877 58.000 -0.203 0.000 0.953 403 F CB 1.474 40.472 39.000 -0.004 0.000 1.345 403 F HN 0.452 nan 8.300 nan 0.000 0.468 404 A N 1.901 124.630 122.820 -0.151 0.000 2.574 404 A HA 0.756 5.076 4.320 0.001 0.000 0.297 404 A C -1.743 175.838 177.584 -0.006 0.000 1.062 404 A CA -0.729 51.268 52.037 -0.068 0.000 0.686 404 A CB 1.314 20.337 19.000 0.040 0.000 1.285 404 A HN 0.826 nan 8.150 nan 0.000 0.403 405 I N 2.831 123.478 120.570 0.128 0.000 2.321 405 I HA 0.432 4.603 4.170 0.001 0.000 0.291 405 I C -0.248 175.966 176.117 0.161 0.000 0.998 405 I CA -0.365 61.023 61.300 0.147 0.000 1.227 405 I CB 1.062 39.013 38.000 -0.082 0.000 1.368 405 I HN 0.634 nan 8.210 nan 0.000 0.466 406 I N 2.069 122.795 120.570 0.259 0.000 2.530 406 I HA 0.543 4.714 4.170 0.001 0.000 0.297 406 I C -0.568 175.789 176.117 0.399 0.000 1.011 406 I CA -0.847 60.622 61.300 0.283 0.000 1.107 406 I CB 1.870 40.010 38.000 0.232 0.000 1.285 406 I HN 0.400 nan 8.210 nan 0.000 0.436 407 D N 4.169 124.797 120.400 0.380 0.000 2.339 407 D HA 0.121 4.762 4.640 0.001 0.000 0.256 407 D C 0.539 176.946 176.300 0.179 0.000 1.214 407 D CA 0.032 54.227 54.000 0.325 0.000 0.877 407 D CB 0.725 41.751 40.800 0.376 0.000 1.111 407 D HN 0.532 nan 8.370 nan 0.000 0.478 408 N N 1.820 120.575 118.700 0.090 0.000 2.453 408 N HA -0.144 4.597 4.740 0.001 0.000 0.183 408 N C 1.356 176.910 175.510 0.073 0.000 1.041 408 N CA 0.900 54.002 53.050 0.085 0.000 0.900 408 N CB -0.016 38.512 38.487 0.068 0.000 0.961 408 N HN 0.548 nan 8.380 nan 0.000 0.443 409 S N -1.580 114.167 115.700 0.079 0.000 2.548 409 S HA 0.039 4.510 4.470 0.001 0.000 0.215 409 S C 1.525 176.190 174.600 0.108 0.000 0.976 409 S CA 0.921 59.174 58.200 0.087 0.000 0.908 409 S CB 0.027 63.278 63.200 0.085 0.000 0.781 409 S HN 0.370 nan 8.310 nan 0.000 0.519 410 T N -2.689 111.939 114.554 0.125 0.000 2.980 410 T HA 0.290 4.641 4.350 0.001 0.000 0.252 410 T C 0.566 175.287 174.700 0.035 0.000 0.962 410 T CA 0.355 62.511 62.100 0.092 0.000 0.932 410 T CB -0.202 68.755 68.868 0.148 0.000 1.188 410 T HN 0.247 nan 8.240 nan 0.000 0.500 411 N N 0.708 119.456 118.700 0.081 0.000 2.936 411 N HA -0.106 4.635 4.740 0.001 0.000 0.236 411 N C -0.399 175.205 175.510 0.156 0.000 0.930 411 N CA 0.529 53.629 53.050 0.082 0.000 0.966 411 N CB -1.946 36.541 38.487 0.000 0.000 1.090 411 N HN 0.535 nan 8.380 nan 0.000 0.592 412 L N 1.961 123.262 121.223 0.129 0.000 2.490 412 L HA 0.159 4.500 4.340 0.001 0.000 0.274 412 L C -1.656 175.308 176.870 0.156 0.000 1.201 412 L CA -0.988 53.912 54.840 0.100 0.000 0.869 412 L CB 0.204 42.289 42.059 0.043 0.000 1.123 412 L HN -0.129 nan 8.230 nan 0.000 0.484 413 P HA 0.118 nan 4.420 nan 0.000 0.284 413 P C 0.623 177.919 177.300 -0.006 0.000 1.343 413 P CA -0.418 62.693 63.100 0.018 0.000 0.826 413 P CB 0.735 32.293 31.700 -0.236 0.000 0.956 414 I N 2.236 122.841 120.570 0.058 0.000 2.226 414 I HA -0.098 4.073 4.170 0.001 0.000 0.245 414 I C 0.952 176.905 176.117 -0.274 0.000 1.100 414 I CA 1.450 62.727 61.300 -0.039 0.000 1.374 414 I CB -1.018 36.987 38.000 0.008 0.000 1.057 414 I HN 0.184 nan 8.210 nan 0.000 0.413 415 F N -0.473 119.443 119.950 -0.057 0.000 2.563 415 F HA 0.626 5.154 4.527 0.001 0.000 0.316 415 F C -0.134 175.571 175.800 -0.158 0.000 1.076 415 F CA -0.762 57.210 58.000 -0.047 0.000 0.921 415 F CB 2.636 41.636 39.000 -0.001 0.000 1.209 415 F HN -0.306 nan 8.300 nan 0.000 0.462 416 I N 1.679 122.199 120.570 -0.083 0.000 2.607 416 I HA 0.797 4.968 4.170 0.001 0.000 0.290 416 I C -0.834 174.965 176.117 -0.529 0.000 1.129 416 I CA 0.042 61.053 61.300 -0.483 0.000 1.042 416 I CB 1.627 39.144 38.000 -0.805 0.000 1.242 416 I HN 0.673 nan 8.210 nan 0.000 0.421 417 G N 3.424 111.655 108.800 -0.948 0.000 2.721 417 G HA2 0.700 4.660 3.960 0.001 0.000 0.296 417 G HA3 0.700 4.660 3.960 0.001 0.000 0.296 417 G C -1.339 173.146 174.900 -0.693 0.000 1.383 417 G CA -0.304 44.370 45.100 -0.710 0.000 0.788 417 G HN 0.584 nan 8.290 nan 0.000 0.500 418 T N -2.355 112.094 114.554 -0.176 0.000 2.900 418 T HA 0.783 5.134 4.350 0.001 0.000 0.295 418 T C -0.463 174.321 174.700 0.141 0.000 1.044 418 T CA -0.392 61.750 62.100 0.070 0.000 0.995 418 T CB 1.434 70.345 68.868 0.073 0.000 1.072 418 T HN 1.714 nan 8.240 nan 0.000 0.473 419 V N 0.482 120.506 119.914 0.183 0.000 3.078 419 V HA 0.901 5.022 4.120 0.001 0.000 0.311 419 V C -0.346 175.777 176.094 0.048 0.000 1.138 419 V CA -1.596 60.679 62.300 -0.042 0.000 1.007 419 V CB 0.865 32.459 31.823 -0.383 0.000 1.045 419 V HN 1.343 nan 8.190 nan 0.000 0.432 420 L N -0.149 121.076 121.223 0.003 0.000 0.587 420 L HA -0.108 4.233 4.340 0.001 0.000 0.356 420 L C 0.032 176.953 176.870 0.086 0.000 0.981 420 L CA 0.737 55.617 54.840 0.066 0.000 1.223 420 L CB -0.817 41.288 42.059 0.077 0.000 0.020 420 L HN 1.084 nan 8.230 nan 0.000 0.091 421 S N 0.925 116.677 115.700 0.087 0.000 2.664 421 S HA 0.665 5.136 4.470 0.001 0.000 0.262 421 S C -0.259 174.366 174.600 0.041 0.000 1.229 421 S CA -0.685 57.554 58.200 0.066 0.000 1.151 421 S CB 0.321 63.559 63.200 0.064 0.000 1.054 421 S HN 0.402 nan 8.310 nan 0.000 0.483 422 L N 0.000 121.252 121.223 0.048 0.000 2.949 422 L HA 0.000 4.341 4.340 0.001 0.000 0.249 422 L CA 0.000 54.858 54.840 0.030 0.000 0.813 422 L CB 0.000 42.094 42.059 0.058 0.000 0.961 422 L HN 0.000 nan 8.230 nan 0.000 0.502