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_B 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 SFVAILPXXX XXXXEYIKTL DATA SEQUENCE TGQKFIDLIK NAKITLVRAS LPKFKYEYTI KMNETLESLG MTDAFLPDKA DATA SEQUENCE DFSKLGKSDI GNLYISEVLH KTFISVDELG TKAGAVTSVD ITAAGIPVNF DATA SEQUENCE KTVKLNRPFI FAIIDNSTNL PIFIGTVLSL K 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 0.000 176.316 176.300 0.027 0.000 2.045 43 D CA 0.000 54.015 54.000 0.026 0.000 0.868 43 D CB 0.000 40.804 40.800 0.007 0.000 0.688 44 R N 1.165 121.675 120.500 0.015 0.000 2.267 44 R HA 0.669 5.009 4.340 0.001 0.000 0.319 44 R C -0.319 175.977 176.300 -0.007 0.000 1.067 44 R CA -0.274 55.831 56.100 0.007 0.000 0.936 44 R CB 0.193 30.495 30.300 0.004 0.000 1.006 44 R HN 0.454 nan 8.270 nan 0.000 0.452 45 I N 2.356 122.917 120.570 -0.014 0.000 2.363 45 I HA 0.379 4.550 4.170 0.001 0.000 0.292 45 I C 0.517 176.611 176.117 -0.038 0.000 1.075 45 I CA -0.439 60.843 61.300 -0.030 0.000 1.333 45 I CB 0.192 38.169 38.000 -0.040 0.000 1.415 45 I HN 0.805 nan 8.210 nan 0.000 0.502 46 K N 5.295 125.672 120.400 -0.038 0.000 2.248 46 K HA 0.871 5.191 4.320 0.001 0.000 0.281 46 K C 0.380 176.944 176.600 -0.060 0.000 1.054 46 K CA -0.029 56.233 56.287 -0.043 0.000 0.903 46 K CB 0.759 33.238 32.500 -0.035 0.000 1.077 46 K HN 2.408 nan 8.250 nan 0.000 0.474 47 A N 2.829 125.607 122.820 -0.070 0.000 2.462 47 A HA 0.374 4.695 4.320 0.001 0.000 0.243 47 A C 0.021 177.537 177.584 -0.115 0.000 1.076 47 A CA -0.139 51.837 52.037 -0.103 0.000 0.773 47 A CB -0.213 18.724 19.000 -0.104 0.000 1.010 47 A HN 0.923 nan 8.150 nan 0.000 0.493 48 N N 1.889 120.495 118.700 -0.157 0.000 2.361 48 N HA 0.474 5.215 4.740 0.001 0.000 0.302 48 N C -2.790 172.589 175.510 -0.219 0.000 1.074 48 N CA -1.569 51.388 53.050 -0.155 0.000 0.850 48 N CB 1.420 39.826 38.487 -0.134 0.000 1.228 48 N HN 0.477 nan 8.380 nan 0.000 0.491 49 P HA -0.056 nan 4.420 nan 0.000 0.261 49 P C -0.606 176.535 177.300 -0.264 0.000 1.183 49 P CA 0.088 63.076 63.100 -0.187 0.000 0.761 49 P CB 0.335 31.971 31.700 -0.107 0.000 0.785 50 V N 0.555 120.226 119.914 -0.405 0.000 2.919 50 V HA 0.589 4.709 4.120 0.001 0.000 0.316 50 V C 0.135 176.075 176.094 -0.257 0.000 1.077 50 V CA -0.941 61.078 62.300 -0.468 0.000 0.977 50 V CB 1.785 33.007 31.823 -1.001 0.000 1.039 50 V HN 0.408 nan 8.190 nan 0.000 0.441 51 S N 1.714 117.341 115.700 -0.122 0.000 2.565 51 S HA 0.350 4.821 4.470 0.001 0.000 0.274 51 S C -0.041 174.611 174.600 0.087 0.000 1.309 51 S CA -0.486 57.710 58.200 -0.006 0.000 1.043 51 S CB 0.488 63.687 63.200 -0.003 0.000 0.939 51 S HN 0.856 nan 8.310 nan 0.000 0.504 52 E N 1.450 121.730 120.200 0.133 0.000 2.371 52 E HA 0.257 4.607 4.350 0.001 0.000 0.257 52 E C -0.196 176.440 176.600 0.059 0.000 1.134 52 E CA -0.237 56.258 56.400 0.159 0.000 0.919 52 E CB 0.614 30.379 29.700 0.108 0.000 1.025 52 E HN 0.347 nan 8.360 nan 0.000 0.438 53 K N 2.341 122.760 120.400 0.031 0.000 2.690 53 K HA 0.152 4.472 4.320 0.001 0.000 0.243 53 K C -1.129 175.503 176.600 0.053 0.000 0.982 53 K CA -0.649 55.611 56.287 -0.044 0.000 0.955 53 K CB 0.529 32.862 32.500 -0.278 0.000 1.185 53 K HN 0.394 nan 8.250 nan 0.000 0.467 54 N N 3.624 122.367 118.700 0.071 0.000 2.219 54 N HA -0.108 4.632 4.740 0.001 0.000 0.263 54 N C 0.173 175.776 175.510 0.157 0.000 1.269 54 N CA 0.487 53.593 53.050 0.093 0.000 0.831 54 N CB 0.401 38.934 38.487 0.077 0.000 1.059 54 N HN 0.483 nan 8.380 nan 0.000 0.475 55 I N 2.822 123.438 120.570 0.076 0.000 2.671 55 I HA -0.096 4.074 4.170 0.001 0.000 0.285 55 I C 0.758 176.917 176.117 0.070 0.000 1.148 55 I CA 0.128 61.423 61.300 -0.007 0.000 1.386 55 I CB -1.096 36.896 38.000 -0.013 0.000 1.406 55 I HN 0.530 nan 8.210 nan 0.000 0.540 56 D N 4.427 124.880 120.400 0.088 0.000 2.621 56 D HA 0.467 5.108 4.640 0.001 0.000 0.255 56 D C 0.933 177.293 176.300 0.101 0.000 1.122 56 D CA -0.284 53.785 54.000 0.115 0.000 1.096 56 D CB 0.386 41.285 40.800 0.165 0.000 1.282 56 D HN 0.331 nan 8.370 nan 0.000 0.619 57 E N -0.193 120.079 120.200 0.120 0.000 2.153 57 E HA -0.211 4.139 4.350 0.001 0.000 0.194 57 E C 1.703 178.419 176.600 0.192 0.000 0.988 57 E CA 1.797 58.294 56.400 0.162 0.000 0.811 57 E CB -0.725 29.098 29.700 0.205 0.000 0.746 57 E HN 0.537 nan 8.360 nan 0.000 0.466 58 K N -1.183 119.303 120.400 0.143 0.000 2.026 58 K HA -0.096 4.224 4.320 0.001 0.000 0.208 58 K C 2.081 178.692 176.600 0.020 0.000 1.048 58 K CA 1.578 57.934 56.287 0.115 0.000 0.929 58 K CB -0.397 32.187 32.500 0.140 0.000 0.713 58 K HN 0.393 nan 8.250 nan 0.000 0.439 59 F N 1.845 121.626 119.950 -0.281 0.000 2.102 59 F HA -0.174 4.354 4.527 0.001 0.000 0.298 59 F C 1.857 177.474 175.800 -0.306 0.000 1.105 59 F CA 1.466 59.159 58.000 -0.512 0.000 1.239 59 F CB -0.195 38.190 39.000 -1.026 0.000 0.991 59 F HN -0.012 nan 8.300 nan 0.000 0.474 60 I N -0.854 119.595 120.570 -0.202 0.000 2.127 60 I HA -0.378 3.793 4.170 0.001 0.000 0.241 60 I C 2.189 178.094 176.117 -0.355 0.000 1.075 60 I CA 1.859 62.974 61.300 -0.310 0.000 1.334 60 I CB -0.793 37.073 38.000 -0.223 0.000 1.040 60 I HN 0.148 nan 8.210 nan 0.000 0.405 61 Y N 0.894 121.109 120.300 -0.142 0.000 2.200 61 Y HA -0.219 4.331 4.550 0.001 0.000 0.290 61 Y C 2.514 178.335 175.900 -0.131 0.000 1.137 61 Y CA 1.359 59.400 58.100 -0.099 0.000 1.163 61 Y CB -0.320 38.110 38.460 -0.049 0.000 0.988 61 Y HN 0.229 nan 8.280 nan 0.000 0.518 62 N N -0.818 117.861 118.700 -0.036 0.000 2.106 62 N HA -0.133 4.607 4.740 0.001 0.000 0.188 62 N C 1.783 177.193 175.510 -0.168 0.000 1.029 62 N CA 1.939 54.936 53.050 -0.088 0.000 0.848 62 N CB -0.894 37.533 38.487 -0.100 0.000 1.007 62 N HN 0.210 nan 8.380 nan 0.000 0.423 63 T N 0.720 115.029 114.554 -0.408 0.000 2.720 63 T HA -0.089 4.261 4.350 0.001 0.000 0.268 63 T C 1.949 176.550 174.700 -0.165 0.000 1.037 63 T CA 1.397 63.256 62.100 -0.402 0.000 1.144 63 T CB -0.453 67.899 68.868 -0.861 0.000 0.864 63 T HN 0.336 nan 8.240 nan 0.000 0.444 64 A N 2.020 124.729 122.820 -0.186 0.000 1.902 64 A HA -0.179 4.141 4.320 0.001 0.000 0.217 64 A C 2.162 179.701 177.584 -0.075 0.000 1.181 64 A CA 1.766 53.728 52.037 -0.124 0.000 0.623 64 A CB -0.706 18.244 19.000 -0.083 0.000 0.818 64 A HN 0.338 nan 8.150 nan 0.000 0.443 65 D N -1.014 119.377 120.400 -0.014 0.000 2.092 65 D HA -0.164 4.476 4.640 0.001 0.000 0.193 65 D C 1.657 177.958 176.300 0.001 0.000 0.994 65 D CA 1.587 55.590 54.000 0.005 0.000 0.828 65 D CB -0.499 40.321 40.800 0.033 0.000 0.963 65 D HN 0.485 nan 8.370 nan 0.000 0.450 66 F N 1.735 121.624 119.950 -0.102 0.000 2.134 66 F HA -0.208 4.319 4.527 0.001 0.000 0.299 66 F C 2.398 178.138 175.800 -0.100 0.000 1.097 66 F CA 1.449 59.395 58.000 -0.090 0.000 1.264 66 F CB -0.256 38.689 39.000 -0.092 0.000 1.001 66 F HN -0.169 nan 8.300 nan 0.000 0.479 67 S N 1.135 116.704 115.700 -0.219 0.000 2.353 67 S HA -0.170 4.301 4.470 0.001 0.000 0.222 67 S C 2.022 176.417 174.600 -0.341 0.000 1.035 67 S CA 1.537 59.532 58.200 -0.341 0.000 1.025 67 S CB -0.458 62.598 63.200 -0.241 0.000 0.902 67 S HN 0.313 nan 8.310 nan 0.000 0.440 68 I N 1.896 122.305 120.570 -0.269 0.000 2.202 68 I HA -0.076 4.095 4.170 0.001 0.000 0.242 68 I C 2.460 178.498 176.117 -0.131 0.000 1.091 68 I CA 1.205 62.397 61.300 -0.180 0.000 1.368 68 I CB -1.522 36.381 38.000 -0.161 0.000 1.058 68 I HN 0.215 nan 8.210 nan 0.000 0.410 69 E N 0.606 120.699 120.200 -0.178 0.000 2.085 69 E HA -0.222 4.128 4.350 0.001 0.000 0.194 69 E C 2.239 178.698 176.600 -0.236 0.000 0.994 69 E CA 0.977 57.272 56.400 -0.176 0.000 0.801 69 E CB -0.604 29.016 29.700 -0.134 0.000 0.743 69 E HN 0.309 nan 8.360 nan 0.000 0.453 70 L N 0.295 121.290 121.223 -0.380 0.000 2.046 70 L HA -0.144 4.197 4.340 0.001 0.000 0.208 70 L C 2.250 178.983 176.870 -0.230 0.000 1.077 70 L CA 1.351 55.952 54.840 -0.398 0.000 0.747 70 L CB -0.549 41.082 42.059 -0.713 0.000 0.896 70 L HN 0.070 nan 8.230 nan 0.000 0.432 71 F N 1.186 120.936 119.950 -0.333 0.000 2.113 71 F HA -0.206 4.321 4.527 0.001 0.000 0.297 71 F C 2.395 178.069 175.800 -0.211 0.000 1.103 71 F CA 2.074 59.912 58.000 -0.270 0.000 1.248 71 F CB -0.515 38.298 39.000 -0.311 0.000 0.999 71 F HN 0.202 nan 8.300 nan 0.000 0.475 72 K N -0.242 119.882 120.400 -0.459 0.000 2.442 72 K HA -0.101 4.219 4.320 0.001 0.000 0.198 72 K C 0.768 177.139 176.600 -0.382 0.000 1.042 72 K CA 1.767 57.737 56.287 -0.528 0.000 0.958 72 K CB -0.731 31.595 32.500 -0.290 0.000 0.766 72 K HN 0.374 nan 8.250 nan 0.000 0.474 73 N N 0.169 118.693 118.700 -0.293 0.000 2.205 73 N HA 0.076 4.817 4.740 0.001 0.000 0.201 73 N C 0.084 175.496 175.510 -0.164 0.000 1.128 73 N CA -0.143 52.786 53.050 -0.201 0.000 0.867 73 N CB 1.035 39.431 38.487 -0.150 0.000 0.996 73 N HN 0.046 nan 8.380 nan 0.000 0.503 74 S N 0.243 115.817 115.700 -0.209 0.000 2.568 74 S HA 0.298 4.769 4.470 0.001 0.000 0.232 74 S C 0.321 174.880 174.600 -0.068 0.000 0.975 74 S CA -0.263 57.892 58.200 -0.075 0.000 0.949 74 S CB 0.249 63.436 63.200 -0.022 0.000 0.829 74 S HN 0.191 nan 8.310 nan 0.000 0.479 75 I N 2.099 122.541 120.570 -0.214 0.000 2.371 75 I HA 0.242 4.413 4.170 0.001 0.000 0.290 75 I C 0.187 176.262 176.117 -0.069 0.000 1.028 75 I CA -0.378 60.794 61.300 -0.214 0.000 1.345 75 I CB 0.605 38.403 38.000 -0.336 0.000 1.407 75 I HN 0.021 nan 8.210 nan 0.000 0.501 76 D N 4.271 124.662 120.400 -0.016 0.000 2.229 76 D HA 0.192 4.832 4.640 0.001 0.000 0.249 76 D C 0.589 176.885 176.300 -0.008 0.000 1.027 76 D CA 0.128 54.163 54.000 0.059 0.000 0.923 76 D CB 1.861 42.784 40.800 0.205 0.000 1.174 76 D HN 0.703 nan 8.370 nan 0.000 0.443 77 D N 1.497 121.895 120.400 -0.002 0.000 2.333 77 D HA 0.042 4.682 4.640 0.001 0.000 0.208 77 D C 1.416 177.677 176.300 -0.066 0.000 0.984 77 D CA 1.416 55.396 54.000 -0.034 0.000 0.873 77 D CB -0.026 40.757 40.800 -0.028 0.000 0.935 77 D HN 0.451 nan 8.370 nan 0.000 0.521 78 K N 0.058 120.431 120.400 -0.044 0.000 2.312 78 K HA 0.335 4.655 4.320 0.001 0.000 0.206 78 K C 1.065 177.631 176.600 -0.057 0.000 1.121 78 K CA 0.500 56.706 56.287 -0.136 0.000 0.923 78 K CB -0.047 32.422 32.500 -0.052 0.000 1.162 78 K HN 0.475 nan 8.250 nan 0.000 0.478 79 E N 1.876 122.132 120.200 0.093 0.000 2.343 79 E HA 0.232 4.583 4.350 0.001 0.000 0.269 79 E C -0.885 175.691 176.600 -0.041 0.000 1.047 79 E CA -0.961 55.516 56.400 0.129 0.000 0.874 79 E CB 0.826 30.697 29.700 0.286 0.000 1.033 79 E HN 0.330 nan 8.360 nan 0.000 0.409 80 N N 1.618 120.184 118.700 -0.223 0.000 2.447 80 N HA -0.012 4.728 4.740 0.001 0.000 0.263 80 N C -0.605 174.575 175.510 -0.551 0.000 1.226 80 N CA 0.083 52.819 53.050 -0.523 0.000 0.906 80 N CB 0.664 38.462 38.487 -1.148 0.000 1.060 80 N HN 0.416 nan 8.380 nan 0.000 0.468 81 S N 1.656 117.056 115.700 -0.499 0.000 2.608 81 S HA 0.743 5.213 4.470 0.001 0.000 0.291 81 S C -0.452 173.985 174.600 -0.272 0.000 1.146 81 S CA -0.817 56.812 58.200 -0.951 0.000 1.043 81 S CB 1.537 64.233 63.200 -0.840 0.000 1.037 81 S HN 0.433 nan 8.310 nan 0.000 0.520 82 L N 2.288 123.392 121.223 -0.199 0.000 2.526 82 L HA 0.742 5.082 4.340 0.001 0.000 0.263 82 L C -1.284 175.815 176.870 0.381 0.000 0.943 82 L CA -0.592 54.392 54.840 0.240 0.000 0.859 82 L CB 1.720 44.053 42.059 0.456 0.000 1.313 82 L HN 0.990 nan 8.230 nan 0.000 0.406 83 I N 0.470 121.230 120.570 0.316 0.000 3.042 83 I HA 0.820 4.990 4.170 0.001 0.000 0.310 83 I C -0.943 175.293 176.117 0.199 0.000 1.117 83 I CA -0.667 60.861 61.300 0.379 0.000 1.003 83 I CB 2.448 40.517 38.000 0.115 0.000 1.228 83 I HN 0.584 nan 8.210 nan 0.000 0.443 84 S N 3.508 119.315 115.700 0.178 0.000 2.622 84 S HA 0.536 5.006 4.470 0.001 0.000 0.283 84 S C -1.983 172.582 174.600 -0.059 0.000 1.197 84 S CA -1.472 56.564 58.200 -0.274 0.000 1.146 84 S CB 0.869 63.634 63.200 -0.724 0.000 1.007 84 S HN 0.580 nan 8.310 nan 0.000 0.478 85 P HA -0.153 nan 4.420 nan 0.000 0.216 85 P C 1.629 179.009 177.300 0.133 0.000 1.157 85 P CA 0.622 63.722 63.100 0.000 0.000 0.880 85 P CB 0.086 31.743 31.700 -0.072 0.000 0.791 86 L N -0.447 120.816 121.223 0.065 0.000 1.997 86 L HA -0.218 4.123 4.340 0.001 0.000 0.216 86 L C 2.480 179.445 176.870 0.159 0.000 1.074 86 L CA 2.291 57.215 54.840 0.140 0.000 0.763 86 L CB -1.646 40.481 42.059 0.114 0.000 0.890 86 L HN -0.063 nan 8.230 nan 0.000 0.434 87 S N -1.280 114.486 115.700 0.111 0.000 2.368 87 S HA -0.166 4.304 4.470 0.001 0.000 0.225 87 S C 2.076 176.820 174.600 0.240 0.000 1.030 87 S CA 1.247 59.551 58.200 0.172 0.000 0.999 87 S CB -0.441 62.848 63.200 0.148 0.000 0.844 87 S HN 0.665 nan 8.310 nan 0.000 0.459 88 A N 1.202 124.186 122.820 0.273 0.000 1.873 88 A HA -0.008 4.313 4.320 0.001 0.000 0.215 88 A C 2.154 179.891 177.584 0.255 0.000 1.186 88 A CA 1.861 54.068 52.037 0.284 0.000 0.616 88 A CB -0.803 18.343 19.000 0.244 0.000 0.823 88 A HN 0.606 nan 8.150 nan 0.000 0.442 89 M N 0.128 119.878 119.600 0.250 0.000 2.073 89 M HA -0.146 4.334 4.480 0.001 0.000 0.258 89 M C 1.868 178.228 176.300 0.099 0.000 1.070 89 M CA 1.839 57.181 55.300 0.070 0.000 1.103 89 M CB -0.755 31.903 32.600 0.097 0.000 1.321 89 M HN 0.350 nan 8.290 nan 0.000 0.405 90 L N -0.546 120.783 121.223 0.176 0.000 2.017 90 L HA -0.135 4.205 4.340 0.001 0.000 0.208 90 L C 2.577 179.483 176.870 0.061 0.000 1.073 90 L CA 1.245 56.198 54.840 0.188 0.000 0.745 90 L CB -1.203 41.009 42.059 0.256 0.000 0.894 90 L HN 0.465 nan 8.230 nan 0.000 0.432 91 A N -0.036 122.846 122.820 0.102 0.000 1.933 91 A HA -0.127 4.193 4.320 0.001 0.000 0.218 91 A C 2.232 179.841 177.584 0.041 0.000 1.175 91 A CA 1.425 53.509 52.037 0.078 0.000 0.628 91 A CB -0.624 18.463 19.000 0.145 0.000 0.814 91 A HN 0.372 nan 8.150 nan 0.000 0.444 92 L N -1.075 120.184 121.223 0.060 0.000 2.179 92 L HA -0.048 4.293 4.340 0.001 0.000 0.208 92 L C 3.015 179.888 176.870 0.006 0.000 1.096 92 L CA 0.725 55.592 54.840 0.045 0.000 0.779 92 L CB -0.466 41.632 42.059 0.064 0.000 0.922 92 L HN 0.399 nan 8.230 nan 0.000 0.443 93 A N 0.117 122.925 122.820 -0.020 0.000 1.877 93 A HA -0.232 4.088 4.320 0.001 0.000 0.216 93 A C 2.354 179.870 177.584 -0.113 0.000 1.186 93 A CA 1.688 53.720 52.037 -0.008 0.000 0.620 93 A CB -0.459 18.611 19.000 0.118 0.000 0.822 93 A HN 0.292 nan 8.150 nan 0.000 0.443 94 M N -0.775 118.614 119.600 -0.352 0.000 2.080 94 M HA -0.162 4.318 4.480 0.001 0.000 0.260 94 M C 2.300 178.638 176.300 0.063 0.000 1.068 94 M CA 2.183 57.261 55.300 -0.371 0.000 1.109 94 M CB -0.976 31.392 32.600 -0.386 0.000 1.342 94 M HN 0.478 nan 8.290 nan 0.000 0.405 95 T N 0.912 115.511 114.554 0.076 0.000 2.720 95 T HA -0.137 4.213 4.350 0.001 0.000 0.268 95 T C 1.832 176.670 174.700 0.229 0.000 1.037 95 T CA 1.613 63.792 62.100 0.131 0.000 1.144 95 T CB -0.441 68.451 68.868 0.040 0.000 0.864 95 T HN 0.530 nan 8.240 nan 0.000 0.444 96 A N 2.214 125.134 122.820 0.167 0.000 2.024 96 A HA -0.145 4.175 4.320 0.001 0.000 0.220 96 A C 2.158 179.838 177.584 0.160 0.000 1.164 96 A CA 1.244 53.366 52.037 0.142 0.000 0.643 96 A CB -0.575 18.469 19.000 0.073 0.000 0.806 96 A HN 0.454 nan 8.150 nan 0.000 0.451 97 N N -0.150 118.696 118.700 0.244 0.000 2.520 97 N HA -0.088 4.652 4.740 0.001 0.000 0.185 97 N C 1.530 177.294 175.510 0.423 0.000 1.068 97 N CA 1.071 54.320 53.050 0.331 0.000 0.911 97 N CB -0.120 38.572 38.487 0.342 0.000 0.961 97 N HN 0.536 nan 8.380 nan 0.000 0.446 98 G N -0.388 108.566 108.800 0.256 0.000 2.939 98 G HA2 0.302 4.262 3.960 0.001 0.000 0.210 98 G HA3 0.302 4.262 3.960 0.001 0.000 0.210 98 G C 0.453 175.404 174.900 0.085 0.000 1.160 98 G CA 0.087 45.139 45.100 -0.081 0.000 0.770 98 G HN 0.296 nan 8.290 nan 0.000 0.543 99 A N -0.109 122.739 122.820 0.047 0.000 2.286 99 A HA 0.641 4.961 4.320 0.001 0.000 0.286 99 A C -0.774 176.713 177.584 -0.162 0.000 1.097 99 A CA -0.292 51.597 52.037 -0.246 0.000 0.821 99 A CB 1.114 19.925 19.000 -0.315 0.000 1.076 99 A HN 0.140 nan 8.150 nan 0.000 0.490 100 D N -0.615 119.651 120.400 -0.223 0.000 2.579 100 D HA 0.348 4.989 4.640 0.001 0.000 0.257 100 D C 0.287 176.506 176.300 -0.135 0.000 1.176 100 D CA 0.013 53.935 54.000 -0.131 0.000 0.914 100 D CB 1.004 41.749 40.800 -0.093 0.000 1.431 100 D HN 0.566 nan 8.370 nan 0.000 0.454 101 N N 0.499 119.147 118.700 -0.086 0.000 1.156 101 N HA -0.325 4.415 4.740 0.001 0.000 0.125 101 N C 1.015 176.477 175.510 -0.080 0.000 0.726 101 N CA 1.487 54.493 53.050 -0.072 0.000 0.887 101 N CB -0.912 37.534 38.487 -0.067 0.000 1.163 101 N HN 0.606 nan 8.380 nan 0.000 0.564 102 E N 0.868 121.022 120.200 -0.078 0.000 2.153 102 E HA -0.024 4.326 4.350 0.001 0.000 0.194 102 E C 1.661 178.208 176.600 -0.089 0.000 0.988 102 E CA 2.236 58.596 56.400 -0.067 0.000 0.811 102 E CB -0.470 29.199 29.700 -0.052 0.000 0.746 102 E HN 0.565 nan 8.360 nan 0.000 0.466 103 T N 0.736 115.200 114.554 -0.150 0.000 2.737 103 T HA -0.111 4.240 4.350 0.001 0.000 0.265 103 T C 1.659 176.249 174.700 -0.184 0.000 1.038 103 T CA 1.135 63.105 62.100 -0.216 0.000 1.144 103 T CB -0.368 68.239 68.868 -0.436 0.000 0.866 103 T HN 0.153 nan 8.240 nan 0.000 0.434 104 L N 1.686 122.804 121.223 -0.176 0.000 2.017 104 L HA 0.056 4.396 4.340 0.001 0.000 0.208 104 L C 2.602 179.438 176.870 -0.057 0.000 1.073 104 L CA 1.949 56.726 54.840 -0.105 0.000 0.745 104 L CB -1.201 40.808 42.059 -0.084 0.000 0.894 104 L HN 0.223 nan 8.230 nan 0.000 0.432 105 A N -0.908 121.881 122.820 -0.052 0.000 1.873 105 A HA -0.327 3.994 4.320 0.001 0.000 0.218 105 A C 2.219 179.793 177.584 -0.016 0.000 1.193 105 A CA 2.223 54.243 52.037 -0.028 0.000 0.629 105 A CB -0.795 18.189 19.000 -0.027 0.000 0.826 105 A HN 0.666 nan 8.150 nan 0.000 0.447 106 Q N -1.222 118.567 119.800 -0.018 0.000 2.124 106 Q HA -0.134 4.207 4.340 0.001 0.000 0.202 106 Q C 2.257 178.269 176.000 0.020 0.000 0.977 106 Q CA 1.760 57.567 55.803 0.007 0.000 0.850 106 Q CB -0.251 28.495 28.738 0.014 0.000 0.901 106 Q HN 0.732 nan 8.270 nan 0.000 0.429 107 M N 0.013 119.616 119.600 0.005 0.000 2.132 107 M HA -0.164 4.317 4.480 0.001 0.000 0.263 107 M C 1.874 178.173 176.300 -0.001 0.000 1.065 107 M CA 1.376 56.686 55.300 0.016 0.000 1.122 107 M CB -0.170 32.438 32.600 0.012 0.000 1.365 107 M HN 0.179 nan 8.290 nan 0.000 0.411 108 E N 0.350 120.548 120.200 -0.004 0.000 2.049 108 E HA -0.217 4.133 4.350 0.001 0.000 0.198 108 E C 2.078 178.676 176.600 -0.002 0.000 1.007 108 E CA 1.192 57.591 56.400 -0.003 0.000 0.809 108 E CB -0.057 29.646 29.700 0.003 0.000 0.749 108 E HN 0.352 nan 8.360 nan 0.000 0.450 109 K N 0.275 120.680 120.400 0.008 0.000 2.032 109 K HA -0.144 4.176 4.320 0.001 0.000 0.209 109 K C 2.201 178.818 176.600 0.028 0.000 1.048 109 K CA 1.151 57.449 56.287 0.018 0.000 0.927 109 K CB -0.407 32.105 32.500 0.022 0.000 0.712 109 K HN 0.098 nan 8.250 nan 0.000 0.441 110 A N 1.429 124.275 122.820 0.043 0.000 1.908 110 A HA -0.132 4.188 4.320 0.001 0.000 0.218 110 A C 2.310 179.927 177.584 0.055 0.000 1.181 110 A CA 1.378 53.472 52.037 0.096 0.000 0.627 110 A CB -0.560 18.523 19.000 0.138 0.000 0.818 110 A HN 0.186 nan 8.150 nan 0.000 0.445 111 L N -2.148 119.002 121.223 -0.123 0.000 2.162 111 L HA 0.149 4.489 4.340 0.001 0.000 0.205 111 L C 1.957 178.683 176.870 -0.239 0.000 1.086 111 L CA 0.994 55.589 54.840 -0.408 0.000 0.778 111 L CB -0.101 41.732 42.059 -0.377 0.000 0.928 111 L HN 0.493 nan 8.230 nan 0.000 0.446 112 G N -1.773 106.971 108.800 -0.093 0.000 4.765 112 G HA2 0.207 4.167 3.960 0.001 0.000 0.276 112 G HA3 0.207 4.167 3.960 0.001 0.000 0.276 112 G C 0.376 175.278 174.900 0.003 0.000 0.986 112 G CA -0.239 44.833 45.100 -0.046 0.000 0.755 112 G HN 0.024 nan 8.290 nan 0.000 0.391 113 K N 0.378 120.784 120.400 0.009 0.000 3.860 113 K HA -0.301 4.020 4.320 0.001 0.000 0.215 113 K C 1.262 177.878 176.600 0.027 0.000 0.729 113 K CA 2.300 58.599 56.287 0.020 0.000 0.634 113 K CB -0.985 31.527 32.500 0.020 0.000 0.774 113 K HN 0.406 nan 8.250 nan 0.000 0.793 114 D N 1.589 122.010 120.400 0.035 0.000 2.340 114 D HA 0.092 4.732 4.640 0.001 0.000 0.220 114 D C 0.696 177.031 176.300 0.059 0.000 1.039 114 D CA 0.377 54.401 54.000 0.040 0.000 0.866 114 D CB -0.290 40.533 40.800 0.038 0.000 0.913 114 D HN 0.348 nan 8.370 nan 0.000 0.523 115 I N 2.075 122.694 120.570 0.082 0.000 2.452 115 I HA 0.017 4.188 4.170 0.001 0.000 0.287 115 I C 1.034 177.199 176.117 0.080 0.000 1.079 115 I CA -0.458 60.916 61.300 0.124 0.000 1.387 115 I CB 0.770 38.899 38.000 0.215 0.000 1.404 115 I HN -0.041 nan 8.210 nan 0.000 0.522 116 S N 5.574 121.308 115.700 0.057 0.000 2.600 116 S HA 0.127 4.597 4.470 0.001 0.000 0.265 116 S C 1.045 175.660 174.600 0.025 0.000 1.325 116 S CA -0.629 57.588 58.200 0.027 0.000 1.002 116 S CB 1.215 64.418 63.200 0.007 0.000 0.921 116 S HN 0.590 nan 8.310 nan 0.000 0.554 117 I N 1.275 121.851 120.570 0.010 0.000 2.361 117 I HA -0.075 4.095 4.170 0.001 0.000 0.251 117 I C 2.082 178.172 176.117 -0.045 0.000 1.133 117 I CA 1.560 62.864 61.300 0.007 0.000 1.413 117 I CB -0.860 37.149 38.000 0.015 0.000 1.073 117 I HN 0.822 nan 8.210 nan 0.000 0.424 118 E N 0.464 120.623 120.200 -0.068 0.000 2.077 118 E HA -0.207 4.143 4.350 0.001 0.000 0.193 118 E C 1.885 178.385 176.600 -0.165 0.000 0.989 118 E CA 1.575 57.896 56.400 -0.133 0.000 0.800 118 E CB -0.290 29.361 29.700 -0.081 0.000 0.746 118 E HN 0.479 nan 8.360 nan 0.000 0.452 119 D N -0.349 119.983 120.400 -0.113 0.000 2.183 119 D HA -0.085 4.556 4.640 0.001 0.000 0.203 119 D C 1.836 178.057 176.300 -0.131 0.000 0.969 119 D CA 0.385 54.274 54.000 -0.185 0.000 0.842 119 D CB -0.109 40.600 40.800 -0.151 0.000 0.957 119 D HN 0.062 nan 8.370 nan 0.000 0.484 120 L N 1.253 122.510 121.223 0.056 0.000 2.027 120 L HA -0.125 4.215 4.340 0.001 0.000 0.206 120 L C 1.643 178.580 176.870 0.113 0.000 1.074 120 L CA 1.478 56.447 54.840 0.215 0.000 0.745 120 L CB -0.666 41.504 42.059 0.185 0.000 0.898 120 L HN -0.112 nan 8.230 nan 0.000 0.433 121 N N 0.204 118.863 118.700 -0.068 0.000 2.037 121 N HA -0.250 4.491 4.740 0.001 0.000 0.196 121 N C 1.753 177.137 175.510 -0.211 0.000 1.034 121 N CA 1.913 54.770 53.050 -0.321 0.000 0.861 121 N CB -0.291 37.654 38.487 -0.903 0.000 1.039 121 N HN 0.419 nan 8.380 nan 0.000 0.427 122 K N -0.227 120.077 120.400 -0.159 0.000 2.002 122 K HA -0.122 4.198 4.320 0.001 0.000 0.209 122 K C 2.207 178.860 176.600 0.089 0.000 1.048 122 K CA 1.185 57.514 56.287 0.070 0.000 0.930 122 K CB -0.448 32.024 32.500 -0.047 0.000 0.714 122 K HN 0.308 nan 8.250 nan 0.000 0.438 123 Y N 1.246 121.521 120.300 -0.042 0.000 2.081 123 Y HA -0.276 4.274 4.550 0.001 0.000 0.280 123 Y C 2.298 178.053 175.900 -0.242 0.000 1.163 123 Y CA 0.905 58.863 58.100 -0.236 0.000 1.135 123 Y CB -0.138 38.128 38.460 -0.322 0.000 0.970 123 Y HN 0.011 nan 8.280 nan 0.000 0.498 124 L N -1.586 119.710 121.223 0.122 0.000 2.156 124 L HA -0.229 4.112 4.340 0.001 0.000 0.208 124 L C 2.329 179.290 176.870 0.151 0.000 1.095 124 L CA 1.002 55.946 54.840 0.173 0.000 0.770 124 L CB -0.584 41.645 42.059 0.283 0.000 0.914 124 L HN 0.331 nan 8.230 nan 0.000 0.439 125 Y N 0.980 121.274 120.300 -0.010 0.000 2.181 125 Y HA -0.279 4.272 4.550 0.001 0.000 0.288 125 Y C 2.538 178.449 175.900 0.019 0.000 1.146 125 Y CA 2.165 60.255 58.100 -0.016 0.000 1.164 125 Y CB -0.629 37.849 38.460 0.029 0.000 0.982 125 Y HN 0.049 nan 8.280 nan 0.000 0.515 126 T N 0.027 114.505 114.554 -0.127 0.000 2.708 126 T HA -0.232 4.118 4.350 0.001 0.000 0.266 126 T C 1.476 176.116 174.700 -0.100 0.000 1.037 126 T CA 1.713 63.699 62.100 -0.191 0.000 1.146 126 T CB -0.875 67.979 68.868 -0.023 0.000 0.865 126 T HN 0.493 nan 8.240 nan 0.000 0.435 127 Y N 1.700 121.900 120.300 -0.167 0.000 2.114 127 Y HA -0.095 4.456 4.550 0.001 0.000 0.284 127 Y C 2.422 178.293 175.900 -0.048 0.000 1.143 127 Y CA 1.098 59.136 58.100 -0.105 0.000 1.135 127 Y CB -0.565 37.842 38.460 -0.089 0.000 0.980 127 Y HN 0.120 nan 8.280 nan 0.000 0.499 128 M N -0.165 119.427 119.600 -0.013 0.000 2.108 128 M HA -0.283 4.197 4.480 0.001 0.000 0.261 128 M C 2.356 178.574 176.300 -0.137 0.000 1.066 128 M CA 2.038 57.298 55.300 -0.066 0.000 1.107 128 M CB -0.399 32.221 32.600 0.034 0.000 1.356 128 M HN 0.143 nan 8.290 nan 0.000 0.406 129 K N 0.610 120.874 120.400 -0.226 0.000 2.097 129 K HA -0.152 4.169 4.320 0.001 0.000 0.205 129 K C 1.388 177.884 176.600 -0.174 0.000 1.050 129 K CA 1.319 57.455 56.287 -0.252 0.000 0.938 129 K CB 0.155 32.378 32.500 -0.462 0.000 0.718 129 K HN 0.286 nan 8.250 nan 0.000 0.442 130 K N 0.166 120.467 120.400 -0.165 0.000 2.353 130 K HA 0.181 4.501 4.320 0.001 0.000 0.195 130 K C 0.049 176.565 176.600 -0.141 0.000 1.031 130 K CA -0.272 55.939 56.287 -0.127 0.000 1.079 130 K CB 0.456 32.903 32.500 -0.088 0.000 0.857 130 K HN 0.063 nan 8.250 nan 0.000 0.535 131 L N 3.648 124.758 121.223 -0.187 0.000 2.534 131 L HA 0.049 4.390 4.340 0.001 0.000 0.271 131 L C -2.136 174.686 176.870 -0.080 0.000 1.178 131 L CA -1.671 53.068 54.840 -0.168 0.000 0.907 131 L CB 0.030 41.963 42.059 -0.210 0.000 1.164 131 L HN -0.138 nan 8.230 nan 0.000 0.482 132 P HA 0.039 nan 4.420 nan 0.000 0.265 132 P C -1.022 176.281 177.300 0.006 0.000 1.193 132 P CA 0.089 63.049 63.100 -0.234 0.000 0.765 132 P CB 0.425 31.711 31.700 -0.690 0.000 0.823 133 N N 1.790 120.464 118.700 -0.044 0.000 2.629 133 N HA 0.231 4.971 4.740 0.001 0.000 0.277 133 N C -1.379 174.131 175.510 -0.000 0.000 1.188 133 N CA -0.541 52.521 53.050 0.020 0.000 0.835 133 N CB 1.144 39.635 38.487 0.006 0.000 1.420 133 N HN 0.496 nan 8.380 nan 0.000 0.542 134 E N 0.534 120.753 120.200 0.032 0.000 2.460 134 E HA 0.436 4.786 4.350 0.001 0.000 0.277 134 E C -1.117 175.499 176.600 0.026 0.000 1.010 134 E CA -0.915 55.505 56.400 0.032 0.000 0.838 134 E CB 0.745 30.483 29.700 0.063 0.000 1.448 134 E HN 0.113 nan 8.360 nan 0.000 0.462 135 E N 0.713 120.923 120.200 0.018 0.000 2.465 135 E HA -0.009 4.342 4.350 0.001 0.000 0.260 135 E C -0.542 176.061 176.600 0.004 0.000 0.980 135 E CA 1.002 57.402 56.400 -0.001 0.000 0.927 135 E CB 0.212 29.913 29.700 0.002 0.000 0.934 135 E HN 0.603 nan 8.360 nan 0.000 0.459 136 K N 1.010 121.389 120.400 -0.035 0.000 3.472 136 K HA -0.216 4.105 4.320 0.001 0.000 0.315 136 K C -0.241 176.330 176.600 -0.049 0.000 1.320 136 K CA 1.019 57.278 56.287 -0.046 0.000 0.962 136 K CB -1.668 30.830 32.500 -0.003 0.000 1.251 136 K HN 0.325 nan 8.250 nan 0.000 0.443 137 S N 0.508 116.186 115.700 -0.037 0.000 2.630 137 S HA 0.228 4.699 4.470 0.001 0.000 0.173 137 S C -0.945 173.643 174.600 -0.021 0.000 1.048 137 S CA -0.754 57.453 58.200 0.012 0.000 1.172 137 S CB 0.346 63.705 63.200 0.265 0.000 1.638 137 S HN 0.203 nan 8.310 nan 0.000 0.429 138 K N 1.350 121.623 120.400 -0.212 0.000 2.249 138 K HA 0.587 4.908 4.320 0.001 0.000 0.280 138 K C -0.917 175.564 176.600 -0.198 0.000 1.033 138 K CA -0.524 55.662 56.287 -0.168 0.000 0.946 138 K CB 1.228 33.620 32.500 -0.181 0.000 1.005 138 K HN 0.323 nan 8.250 nan 0.000 0.469 139 L N 2.359 123.546 121.223 -0.061 0.000 2.528 139 L HA 0.308 4.648 4.340 0.001 0.000 0.267 139 L C -1.061 175.817 176.870 0.013 0.000 0.961 139 L CA -0.040 54.795 54.840 -0.009 0.000 0.866 139 L CB 1.941 43.987 42.059 -0.021 0.000 1.248 139 L HN 0.771 nan 8.230 nan 0.000 0.404 140 T N 2.644 117.210 114.554 0.020 0.000 2.885 140 T HA 0.840 5.190 4.350 0.001 0.000 0.285 140 T C -0.258 174.472 174.700 0.050 0.000 1.019 140 T CA -0.570 61.541 62.100 0.019 0.000 1.010 140 T CB 1.566 70.428 68.868 -0.011 0.000 1.022 140 T HN 0.431 nan 8.240 nan 0.000 0.466 141 I N 1.477 122.082 120.570 0.059 0.000 2.545 141 I HA 0.707 4.878 4.170 0.001 0.000 0.292 141 I C -0.278 175.909 176.117 0.116 0.000 1.040 141 I CA -1.113 60.247 61.300 0.100 0.000 1.068 141 I CB 2.069 40.138 38.000 0.115 0.000 1.251 141 I HN 1.007 nan 8.210 nan 0.000 0.424 142 A N 5.472 128.389 122.820 0.163 0.000 2.449 142 A HA 0.786 5.107 4.320 0.001 0.000 0.302 142 A C -1.358 176.496 177.584 0.450 0.000 1.048 142 A CA -0.731 51.453 52.037 0.245 0.000 0.708 142 A CB 1.492 20.538 19.000 0.077 0.000 1.274 142 A HN 0.667 nan 8.150 nan 0.000 0.410 143 N N 0.548 119.530 118.700 0.470 0.000 2.292 143 N HA 0.768 5.509 4.740 0.001 0.000 0.303 143 N C -0.961 174.708 175.510 0.265 0.000 1.140 143 N CA -0.258 53.028 53.050 0.393 0.000 0.788 143 N CB 2.164 40.812 38.487 0.267 0.000 1.361 143 N HN 0.872 nan 8.380 nan 0.000 0.489 144 S N 0.112 115.812 115.700 -0.000 0.000 2.537 144 S HA 0.597 5.067 4.470 0.001 0.000 0.270 144 S C -1.240 173.284 174.600 -0.126 0.000 1.142 144 S CA -0.872 57.143 58.200 -0.309 0.000 0.870 144 S CB 1.411 64.045 63.200 -0.942 0.000 1.112 144 S HN 0.324 nan 8.310 nan 0.000 0.466 145 I N 1.811 122.254 120.570 -0.212 0.000 2.389 145 I HA 0.428 4.598 4.170 0.001 0.000 0.288 145 I C -1.451 174.659 176.117 -0.013 0.000 0.999 145 I CA -0.491 60.840 61.300 0.051 0.000 1.129 145 I CB 1.145 39.222 38.000 0.129 0.000 1.288 145 I HN 0.821 nan 8.210 nan 0.000 0.444 146 W N 7.974 129.416 121.300 0.237 0.000 2.532 146 W HA 0.589 5.250 4.660 0.001 0.000 0.321 146 W C -0.397 176.449 176.519 0.544 0.000 1.037 146 W CA -0.685 56.845 57.345 0.309 0.000 1.220 146 W CB 1.379 30.955 29.460 0.193 0.000 1.361 146 W HN 0.312 nan 8.180 nan 0.000 0.468 147 F N 0.775 121.069 119.950 0.574 0.000 2.576 147 F HA 0.645 5.173 4.527 0.001 0.000 0.313 147 F C -0.446 175.321 175.800 -0.054 0.000 1.078 147 F CA -2.105 56.067 58.000 0.287 0.000 0.921 147 F CB 1.282 40.464 39.000 0.303 0.000 1.232 147 F HN 0.154 nan 8.300 nan 0.000 0.459 148 K N 1.547 121.608 120.400 -0.564 0.000 2.249 148 K HA 0.404 4.725 4.320 0.001 0.000 0.280 148 K C 1.038 177.631 176.600 -0.011 0.000 1.033 148 K CA 0.752 56.580 56.287 -0.765 0.000 0.946 148 K CB 1.530 33.329 32.500 -1.168 0.000 1.005 148 K HN 1.029 nan 8.250 nan 0.000 0.469 149 E N 3.765 123.962 120.200 -0.005 0.000 2.028 149 E HA -0.138 4.213 4.350 0.001 0.000 0.191 149 E C 0.397 177.051 176.600 0.091 0.000 0.988 149 E CA 1.334 57.790 56.400 0.093 0.000 0.799 149 E CB -0.549 29.185 29.700 0.057 0.000 0.755 149 E HN 0.712 nan 8.360 nan 0.000 0.447 150 N N 0.859 119.588 118.700 0.048 0.000 2.483 150 N HA 0.169 4.910 4.740 0.001 0.000 0.269 150 N C -0.150 175.404 175.510 0.072 0.000 1.209 150 N CA 0.317 53.397 53.050 0.050 0.000 0.969 150 N CB 1.303 39.812 38.487 0.037 0.000 1.173 150 N HN 0.348 nan 8.380 nan 0.000 0.475 151 D N -1.463 118.977 120.400 0.068 0.000 2.921 151 D HA -0.263 4.377 4.640 0.001 0.000 0.202 151 D C -0.466 175.927 176.300 0.155 0.000 1.082 151 D CA 1.385 55.435 54.000 0.083 0.000 1.014 151 D CB -0.991 39.847 40.800 0.063 0.000 1.120 151 D HN 0.416 nan 8.370 nan 0.000 0.416 152 F N 0.469 120.395 119.950 -0.039 0.000 2.561 152 F HA 0.568 5.096 4.527 0.001 0.000 0.313 152 F C -1.200 174.575 175.800 -0.042 0.000 1.126 152 F CA -1.198 56.772 58.000 -0.050 0.000 0.918 152 F CB 1.665 40.619 39.000 -0.077 0.000 1.199 152 F HN -0.236 nan 8.300 nan 0.000 0.444 153 M N 9.488 128.613 119.600 -0.792 0.000 2.043 153 M HA 0.471 4.952 4.480 0.001 0.000 0.322 153 M C -2.612 172.993 176.300 -1.158 0.000 0.962 153 M CA -2.856 51.997 55.300 -0.746 0.000 0.927 153 M CB 1.118 33.501 32.600 -0.361 0.000 1.466 153 M HN 0.258 nan 8.290 nan 0.000 0.412 154 P HA 0.113 nan 4.420 nan 0.000 0.272 154 P C -0.775 176.272 177.300 -0.421 0.000 1.223 154 P CA -0.242 62.355 63.100 -0.839 0.000 0.784 154 P CB 0.793 32.019 31.700 -0.790 0.000 0.923 155 S N 1.229 116.801 115.700 -0.214 0.000 2.439 155 S HA 0.103 4.573 4.470 0.001 0.000 0.282 155 S C 1.433 176.030 174.600 -0.005 0.000 1.170 155 S CA -0.612 57.540 58.200 -0.080 0.000 1.054 155 S CB -0.068 63.129 63.200 -0.005 0.000 0.956 155 S HN 0.412 nan 8.310 nan 0.000 0.490 156 K N 3.842 124.212 120.400 -0.049 0.000 2.103 156 K HA -0.142 4.179 4.320 0.001 0.000 0.207 156 K C 0.741 177.345 176.600 0.006 0.000 1.048 156 K CA 1.650 57.916 56.287 -0.034 0.000 0.930 156 K CB -0.333 32.141 32.500 -0.044 0.000 0.716 156 K HN 0.479 nan 8.250 nan 0.000 0.444 157 D N 0.688 121.106 120.400 0.029 0.000 2.149 157 D HA -0.165 4.476 4.640 0.001 0.000 0.198 157 D C 1.717 178.070 176.300 0.087 0.000 0.990 157 D CA 0.997 55.024 54.000 0.045 0.000 0.839 157 D CB -0.304 40.524 40.800 0.047 0.000 0.948 157 D HN 0.244 nan 8.370 nan 0.000 0.460 158 F N 1.729 121.674 119.950 -0.009 0.000 2.051 158 F HA -0.148 4.379 4.527 0.001 0.000 0.296 158 F C 2.191 178.008 175.800 0.027 0.000 1.122 158 F CA 1.211 59.220 58.000 0.015 0.000 1.201 158 F CB -0.557 38.448 39.000 0.009 0.000 0.978 158 F HN -0.148 nan 8.300 nan 0.000 0.472 159 L N 0.065 121.189 121.223 -0.165 0.000 2.079 159 L HA -0.250 4.090 4.340 0.001 0.000 0.210 159 L C 2.553 179.317 176.870 -0.177 0.000 1.081 159 L CA 1.671 56.367 54.840 -0.240 0.000 0.752 159 L CB -0.946 41.072 42.059 -0.069 0.000 0.896 159 L HN 0.294 nan 8.230 nan 0.000 0.433 160 Q N 0.825 120.566 119.800 -0.099 0.000 2.061 160 Q HA -0.202 4.138 4.340 0.001 0.000 0.204 160 Q C 2.080 178.044 176.000 -0.059 0.000 0.984 160 Q CA 1.871 57.633 55.803 -0.068 0.000 0.846 160 Q CB -0.280 28.435 28.738 -0.038 0.000 0.902 160 Q HN 0.478 nan 8.270 nan 0.000 0.421 161 I N -0.132 120.414 120.570 -0.040 0.000 2.226 161 I HA -0.265 3.905 4.170 0.001 0.000 0.245 161 I C 1.778 177.967 176.117 0.120 0.000 1.100 161 I CA 0.605 61.952 61.300 0.079 0.000 1.374 161 I CB -0.320 37.729 38.000 0.082 0.000 1.057 161 I HN 0.286 nan 8.210 nan 0.000 0.413 162 I N 1.067 121.575 120.570 -0.102 0.000 2.127 162 I HA -0.289 3.882 4.170 0.001 0.000 0.241 162 I C 2.885 179.054 176.117 0.087 0.000 1.075 162 I CA 1.830 63.123 61.300 -0.013 0.000 1.334 162 I CB -1.762 36.022 38.000 -0.360 0.000 1.040 162 I HN 0.188 nan 8.210 nan 0.000 0.405 163 A N 0.768 123.569 122.820 -0.031 0.000 1.883 163 A HA -0.246 4.075 4.320 0.001 0.000 0.217 163 A C 1.999 179.546 177.584 -0.061 0.000 1.186 163 A CA 2.237 54.252 52.037 -0.036 0.000 0.624 163 A CB -0.767 18.192 19.000 -0.068 0.000 0.822 163 A HN 0.394 nan 8.150 nan 0.000 0.444 164 D N -1.776 118.548 120.400 -0.128 0.000 2.117 164 D HA -0.126 4.514 4.640 0.001 0.000 0.197 164 D C 1.479 177.453 176.300 -0.543 0.000 0.987 164 D CA 1.554 55.339 54.000 -0.359 0.000 0.829 164 D CB -0.269 40.237 40.800 -0.489 0.000 0.961 164 D HN 0.694 nan 8.370 nan 0.000 0.460 165 Y N -2.221 117.933 120.300 -0.244 0.000 2.535 165 Y HA 0.127 4.678 4.550 0.001 0.000 0.266 165 Y C 1.067 176.713 175.900 -0.423 0.000 1.088 165 Y CA 0.187 58.029 58.100 -0.430 0.000 1.285 165 Y CB 0.377 38.482 38.460 -0.591 0.000 1.166 165 Y HN -0.038 nan 8.280 nan 0.000 0.525 166 Y N -1.059 119.354 120.300 0.188 0.000 2.500 166 Y HA 0.244 4.794 4.550 0.001 0.000 0.246 166 Y C 0.829 176.801 175.900 0.119 0.000 1.146 166 Y CA -0.859 57.340 58.100 0.165 0.000 1.230 166 Y CB 0.598 39.133 38.460 0.124 0.000 1.214 166 Y HN -0.278 nan 8.280 nan 0.000 0.526 167 K N 1.107 121.611 120.400 0.173 0.000 3.012 167 K HA -0.216 4.104 4.320 0.001 0.000 0.259 167 K C -0.160 176.503 176.600 0.106 0.000 0.989 167 K CA 0.580 56.933 56.287 0.109 0.000 0.728 167 K CB -1.341 31.230 32.500 0.118 0.000 1.260 167 K HN 0.398 nan 8.250 nan 0.000 0.480 168 A N 0.782 123.656 122.820 0.090 0.000 2.388 168 A HA 0.268 4.589 4.320 0.001 0.000 0.257 168 A C -0.204 177.319 177.584 -0.101 0.000 1.095 168 A CA -0.333 51.727 52.037 0.038 0.000 0.791 168 A CB 0.343 19.352 19.000 0.015 0.000 1.029 168 A HN 0.315 nan 8.150 nan 0.000 0.489 169 D N 1.454 121.749 120.400 -0.174 0.000 2.401 169 D HA 0.225 4.866 4.640 0.001 0.000 0.254 169 D C -0.327 175.443 176.300 -0.883 0.000 1.192 169 D CA 1.001 54.673 54.000 -0.547 0.000 0.885 169 D CB 0.636 41.102 40.800 -0.557 0.000 1.147 169 D HN 0.367 nan 8.370 nan 0.000 0.478 170 I N 3.463 123.537 120.570 -0.827 0.000 2.330 170 I HA 0.271 4.441 4.170 0.001 0.000 0.289 170 I C -0.261 175.425 176.117 -0.718 0.000 1.001 170 I CA -0.509 60.455 61.300 -0.560 0.000 1.193 170 I CB 0.597 38.498 38.000 -0.164 0.000 1.345 170 I HN 0.095 nan 8.210 nan 0.000 0.461 171 F N 5.219 124.919 119.950 -0.416 0.000 2.520 171 F HA 0.466 4.994 4.527 0.001 0.000 0.322 171 F C 0.158 175.542 175.800 -0.693 0.000 1.103 171 F CA -0.974 56.694 58.000 -0.553 0.000 0.926 171 F CB 1.910 40.318 39.000 -0.986 0.000 1.154 171 F HN 0.285 nan 8.300 nan 0.000 0.453 172 K N 2.644 122.794 120.400 -0.417 0.000 2.240 172 K HA 0.816 5.137 4.320 0.001 0.000 0.271 172 K C -1.238 175.254 176.600 -0.181 0.000 1.018 172 K CA -0.314 55.569 56.287 -0.673 0.000 0.874 172 K CB 1.175 33.438 32.500 -0.395 0.000 1.098 172 K HN 0.789 nan 8.250 nan 0.000 0.458 173 A N 2.694 125.487 122.820 -0.045 0.000 2.515 173 A HA 0.656 4.977 4.320 0.001 0.000 0.296 173 A C 0.256 177.976 177.584 0.228 0.000 1.094 173 A CA -0.331 51.816 52.037 0.184 0.000 0.718 173 A CB 1.409 20.646 19.000 0.395 0.000 1.307 173 A HN 0.775 nan 8.150 nan 0.000 0.408 174 A N -0.031 122.909 122.820 0.200 0.000 1.969 174 A HA 0.343 4.663 4.320 0.001 0.000 0.218 174 A C 0.528 178.300 177.584 0.312 0.000 1.169 174 A CA 1.360 53.502 52.037 0.175 0.000 0.635 174 A CB -0.732 18.333 19.000 0.108 0.000 0.810 174 A HN 1.661 nan 8.150 nan 0.000 0.445 175 F N -0.291 119.679 119.950 0.033 0.000 3.030 175 F HA -0.155 4.372 4.527 0.001 0.000 0.309 175 F C 0.160 175.963 175.800 0.006 0.000 0.941 175 F CA 0.317 58.336 58.000 0.031 0.000 1.082 175 F CB -1.981 37.062 39.000 0.071 0.000 1.113 175 F HN 0.644 nan 8.300 nan 0.000 0.716 176 D N -2.439 118.012 120.400 0.085 0.000 2.720 176 D HA 0.473 5.113 4.640 0.001 0.000 0.232 176 D C 1.306 177.579 176.300 -0.046 0.000 1.173 176 D CA 0.231 54.248 54.000 0.027 0.000 1.082 176 D CB 0.125 40.947 40.800 0.037 0.000 1.235 176 D HN -0.169 nan 8.370 nan 0.000 0.636 177 S N -1.205 114.470 115.700 -0.041 0.000 2.423 177 S HA -0.130 4.340 4.470 0.001 0.000 0.231 177 S C 1.824 176.376 174.600 -0.081 0.000 1.014 177 S CA 1.718 59.879 58.200 -0.065 0.000 0.965 177 S CB -0.750 62.423 63.200 -0.044 0.000 0.785 177 S HN 0.516 nan 8.310 nan 0.000 0.495 178 S N 0.088 115.753 115.700 -0.059 0.000 2.387 178 S HA -0.062 4.409 4.470 0.001 0.000 0.226 178 S C 1.862 176.403 174.600 -0.098 0.000 1.026 178 S CA 1.443 59.606 58.200 -0.060 0.000 0.972 178 S CB -1.172 62.012 63.200 -0.027 0.000 0.814 178 S HN 0.531 nan 8.310 nan 0.000 0.477 179 T N 2.480 116.965 114.554 -0.115 0.000 2.777 179 T HA -0.001 4.349 4.350 0.001 0.000 0.266 179 T C 1.906 176.372 174.700 -0.391 0.000 1.040 179 T CA 1.306 63.279 62.100 -0.212 0.000 1.141 179 T CB -0.663 68.089 68.868 -0.193 0.000 0.868 179 T HN 0.275 nan 8.240 nan 0.000 0.444 180 V N 2.535 122.250 119.914 -0.332 0.000 2.282 180 V HA -0.222 3.899 4.120 0.001 0.000 0.249 180 V C 2.857 178.767 176.094 -0.306 0.000 1.057 180 V CA 2.265 64.354 62.300 -0.353 0.000 1.032 180 V CB -1.020 30.658 31.823 -0.242 0.000 0.645 180 V HN 0.682 nan 8.190 nan 0.000 0.447 181 S N -0.860 114.712 115.700 -0.213 0.000 2.414 181 S HA -0.164 4.307 4.470 0.001 0.000 0.227 181 S C 1.632 176.140 174.600 -0.154 0.000 1.022 181 S CA 1.117 59.223 58.200 -0.157 0.000 0.958 181 S CB -0.396 62.742 63.200 -0.103 0.000 0.797 181 S HN 0.551 nan 8.310 nan 0.000 0.493 182 D N 2.078 122.366 120.400 -0.186 0.000 2.097 182 D HA 0.032 4.672 4.640 0.001 0.000 0.195 182 D C 1.909 178.072 176.300 -0.228 0.000 0.989 182 D CA 1.066 54.986 54.000 -0.134 0.000 0.827 182 D CB -0.417 40.338 40.800 -0.074 0.000 0.966 182 D HN 0.409 nan 8.370 nan 0.000 0.456 183 I N 1.165 121.329 120.570 -0.676 0.000 2.127 183 I HA -0.297 3.874 4.170 0.001 0.000 0.241 183 I C 1.962 177.928 176.117 -0.252 0.000 1.075 183 I CA 0.947 61.734 61.300 -0.856 0.000 1.334 183 I CB -0.252 37.036 38.000 -1.187 0.000 1.040 183 I HN -0.030 nan 8.210 nan 0.000 0.405 184 N N 1.023 119.586 118.700 -0.229 0.000 2.166 184 N HA -0.167 4.573 4.740 0.001 0.000 0.186 184 N C 1.552 177.052 175.510 -0.017 0.000 1.019 184 N CA 1.209 54.197 53.050 -0.104 0.000 0.856 184 N CB -0.656 37.756 38.487 -0.126 0.000 0.993 184 N HN 0.353 nan 8.380 nan 0.000 0.426 185 N N -0.059 118.640 118.700 -0.002 0.000 2.120 185 N HA -0.144 4.596 4.740 0.001 0.000 0.188 185 N C 1.540 177.122 175.510 0.120 0.000 1.024 185 N CA 0.567 53.641 53.050 0.040 0.000 0.852 185 N CB -0.520 37.990 38.487 0.037 0.000 1.003 185 N HN 0.420 nan 8.380 nan 0.000 0.424 186 W N 1.970 123.289 121.300 0.033 0.000 2.358 186 W HA -0.156 4.504 4.660 0.001 0.000 0.303 186 W C 2.126 178.707 176.519 0.105 0.000 1.208 186 W CA 1.825 59.257 57.345 0.145 0.000 1.274 186 W CB -0.188 29.496 29.460 0.373 0.000 1.138 186 W HN -0.047 nan 8.180 nan 0.000 0.515 187 V N -0.538 119.571 119.914 0.326 0.000 2.548 187 V HA -0.184 3.936 4.120 0.001 0.000 0.249 187 V C 2.214 178.296 176.094 -0.021 0.000 1.055 187 V CA 2.234 64.630 62.300 0.160 0.000 1.065 187 V CB -1.013 30.934 31.823 0.208 0.000 0.681 187 V HN 0.266 nan 8.190 nan 0.000 0.462 188 K N 0.848 121.234 120.400 -0.023 0.000 2.026 188 K HA -0.193 4.127 4.320 0.001 0.000 0.208 188 K C 2.515 179.054 176.600 -0.103 0.000 1.048 188 K CA 1.804 58.053 56.287 -0.064 0.000 0.929 188 K CB -0.362 32.106 32.500 -0.053 0.000 0.713 188 K HN 0.586 nan 8.250 nan 0.000 0.439 189 S N 0.706 116.331 115.700 -0.125 0.000 2.353 189 S HA -0.117 4.354 4.470 0.001 0.000 0.222 189 S C 1.751 176.211 174.600 -0.234 0.000 1.035 189 S CA 1.277 59.375 58.200 -0.169 0.000 1.025 189 S CB -0.136 62.956 63.200 -0.181 0.000 0.902 189 S HN 0.242 nan 8.310 nan 0.000 0.440 190 K N 1.013 121.188 120.400 -0.376 0.000 2.365 190 K HA 0.046 4.366 4.320 0.001 0.000 0.199 190 K C 1.842 178.329 176.600 -0.189 0.000 1.045 190 K CA 1.315 57.366 56.287 -0.394 0.000 0.962 190 K CB -0.804 31.237 32.500 -0.765 0.000 0.759 190 K HN 0.761 nan 8.250 nan 0.000 0.469 191 T N -2.515 111.962 114.554 -0.129 0.000 3.145 191 T HA 0.136 4.486 4.350 0.001 0.000 0.255 191 T C 0.037 174.695 174.700 -0.070 0.000 1.039 191 T CA -0.392 61.676 62.100 -0.053 0.000 0.928 191 T CB -0.626 68.235 68.868 -0.011 0.000 1.029 191 T HN 0.243 nan 8.240 nan 0.000 0.554 192 N N 1.133 119.775 118.700 -0.096 0.000 2.725 192 N HA -0.206 4.534 4.740 0.001 0.000 0.249 192 N C 0.981 176.426 175.510 -0.107 0.000 1.103 192 N CA 0.349 53.341 53.050 -0.096 0.000 0.707 192 N CB -1.515 36.920 38.487 -0.086 0.000 1.043 192 N HN 0.830 nan 8.380 nan 0.000 0.553 193 G N -1.367 107.363 108.800 -0.117 0.000 2.175 193 G HA2 -0.368 3.593 3.960 0.001 0.000 0.244 193 G HA3 -0.368 3.593 3.960 0.001 0.000 0.244 193 G C 0.786 175.558 174.900 -0.214 0.000 0.982 193 G CA 0.490 45.506 45.100 -0.140 0.000 0.641 193 G HN 0.365 nan 8.290 nan 0.000 0.527 194 M N -0.454 119.013 119.600 -0.223 0.000 2.254 194 M HA 0.275 4.755 4.480 0.001 0.000 0.265 194 M C 0.789 176.892 176.300 -0.327 0.000 1.066 194 M CA 1.427 56.487 55.300 -0.399 0.000 1.123 194 M CB 0.177 32.678 32.600 -0.165 0.000 1.388 194 M HN 0.282 nan 8.290 nan 0.000 0.425 195 I N 0.441 120.932 120.570 -0.132 0.000 2.439 195 I HA 0.093 4.264 4.170 0.001 0.000 0.283 195 I C -0.277 175.802 176.117 -0.062 0.000 1.023 195 I CA -0.499 60.763 61.300 -0.063 0.000 1.100 195 I CB 1.486 39.498 38.000 0.021 0.000 1.238 195 I HN 0.108 nan 8.210 nan 0.000 0.445 196 D N 3.819 124.177 120.400 -0.071 0.000 2.379 196 D HA 0.133 4.773 4.640 0.001 0.000 0.208 196 D C 0.142 176.412 176.300 -0.050 0.000 1.065 196 D CA 0.185 54.147 54.000 -0.063 0.000 0.848 196 D CB 0.478 41.232 40.800 -0.077 0.000 0.949 196 D HN 0.233 nan 8.370 nan 0.000 0.509 197 K N -0.455 119.920 120.400 -0.043 0.000 2.525 197 K HA 0.397 4.717 4.320 0.001 0.000 0.254 197 K C -0.866 175.709 176.600 -0.042 0.000 0.934 197 K CA -0.669 55.587 56.287 -0.052 0.000 0.802 197 K CB 2.582 35.050 32.500 -0.053 0.000 1.295 197 K HN -0.074 nan 8.250 nan 0.000 0.433 198 I N 2.139 122.669 120.570 -0.068 0.000 4.607 198 I HA 0.251 4.421 4.170 0.001 0.000 0.324 198 I C -1.087 174.975 176.117 -0.092 0.000 1.279 198 I CA 0.267 61.532 61.300 -0.059 0.000 1.286 198 I CB 0.863 38.838 38.000 -0.042 0.000 1.265 198 I HN 0.389 nan 8.210 nan 0.000 0.446 199 L N 0.785 121.918 121.223 -0.150 0.000 2.346 199 L HA 0.469 4.809 4.340 0.001 0.000 0.274 199 L C 0.328 177.116 176.870 -0.135 0.000 1.007 199 L CA -0.294 54.444 54.840 -0.169 0.000 0.818 199 L CB 1.726 43.599 42.059 -0.309 0.000 1.284 199 L HN -0.037 nan 8.230 nan 0.000 0.424 200 N N 0.901 119.541 118.700 -0.101 0.000 2.322 200 N HA 0.062 4.802 4.740 0.001 0.000 0.181 200 N C -0.782 174.677 175.510 -0.086 0.000 1.088 200 N CA -0.023 52.978 53.050 -0.081 0.000 0.885 200 N CB 0.532 38.987 38.487 -0.053 0.000 1.013 200 N HN 0.520 nan 8.380 nan 0.000 0.472 201 K N -0.289 120.052 120.400 -0.099 0.000 2.642 201 K HA 0.442 4.763 4.320 0.001 0.000 0.290 201 K C -1.928 174.615 176.600 -0.096 0.000 1.006 201 K CA -0.718 55.519 56.287 -0.083 0.000 0.869 201 K CB 1.349 33.824 32.500 -0.041 0.000 1.499 201 K HN -0.185 nan 8.250 nan 0.000 0.403 202 I N 1.763 122.290 120.570 -0.073 0.000 2.447 202 I HA 0.229 4.399 4.170 0.001 0.000 0.287 202 I C -0.913 175.229 176.117 0.042 0.000 1.023 202 I CA -0.934 60.354 61.300 -0.019 0.000 1.083 202 I CB 1.865 39.795 38.000 -0.117 0.000 1.245 202 I HN 0.583 nan 8.210 nan 0.000 0.434 203 D N 8.722 129.163 120.400 0.069 0.000 2.424 203 D HA 0.081 4.721 4.640 0.001 0.000 0.244 203 D C -1.399 174.950 176.300 0.083 0.000 1.134 203 D CA -1.355 52.678 54.000 0.056 0.000 0.881 203 D CB 1.001 41.821 40.800 0.033 0.000 1.191 203 D HN 0.312 nan 8.370 nan 0.000 0.445 204 P HA -0.143 nan 4.420 nan 0.000 0.227 204 P C 0.110 177.452 177.300 0.069 0.000 1.145 204 P CA 1.178 64.322 63.100 0.073 0.000 0.769 204 P CB 0.408 32.138 31.700 0.050 0.000 0.769 205 E N -1.536 118.697 120.200 0.054 0.000 2.601 205 E HA 0.083 4.433 4.350 0.001 0.000 0.219 205 E C -0.003 176.585 176.600 -0.020 0.000 0.964 205 E CA -0.234 56.179 56.400 0.021 0.000 1.050 205 E CB -0.206 29.506 29.700 0.020 0.000 1.068 205 E HN 0.167 nan 8.360 nan 0.000 0.496 206 D N 0.937 121.350 120.400 0.023 0.000 2.455 206 D HA -0.018 4.623 4.640 0.001 0.000 0.241 206 D C 1.197 177.518 176.300 0.035 0.000 1.138 206 D CA 0.214 54.207 54.000 -0.013 0.000 0.877 206 D CB 1.832 42.660 40.800 0.045 0.000 1.187 206 D HN 0.069 nan 8.370 nan 0.000 0.451 207 V N -0.153 119.623 119.914 -0.229 0.000 3.484 207 V HA 0.345 4.466 4.120 0.001 0.000 0.252 207 V C 0.438 176.218 176.094 -0.523 0.000 1.282 207 V CA -0.000 61.940 62.300 -0.599 0.000 1.104 207 V CB 0.217 31.404 31.823 -1.060 0.000 0.868 207 V HN 0.457 nan 8.190 nan 0.000 0.457 208 M N 0.515 119.971 119.600 -0.240 0.000 2.371 208 M HA 0.603 5.083 4.480 0.001 0.000 0.287 208 M C -2.403 173.845 176.300 -0.087 0.000 1.149 208 M CA -0.549 54.759 55.300 0.012 0.000 0.929 208 M CB 2.668 35.173 32.600 -0.158 0.000 1.683 208 M HN 0.208 nan 8.290 nan 0.000 0.470 209 Y N 4.325 124.775 120.300 0.250 0.000 2.352 209 Y HA 0.605 5.155 4.550 0.001 0.000 0.339 209 Y C -1.079 174.931 175.900 0.183 0.000 0.992 209 Y CA -0.610 57.559 58.100 0.114 0.000 1.100 209 Y CB 1.588 40.037 38.460 -0.019 0.000 1.192 209 Y HN 0.515 nan 8.280 nan 0.000 0.458 210 L N 5.568 126.927 121.223 0.226 0.000 2.298 210 L HA 0.562 4.902 4.340 0.001 0.000 0.284 210 L C -0.799 176.181 176.870 0.182 0.000 1.013 210 L CA -0.092 54.862 54.840 0.190 0.000 0.824 210 L CB 0.967 43.095 42.059 0.115 0.000 1.221 210 L HN 0.489 nan 8.230 nan 0.000 0.418 211 I N 3.298 123.980 120.570 0.188 0.000 2.447 211 I HA 0.378 4.549 4.170 0.001 0.000 0.287 211 I C -0.498 175.766 176.117 0.246 0.000 1.023 211 I CA -0.431 60.987 61.300 0.195 0.000 1.083 211 I CB 1.821 39.917 38.000 0.160 0.000 1.245 211 I HN 0.625 nan 8.210 nan 0.000 0.434 212 N N 5.203 124.064 118.700 0.269 0.000 2.362 212 N HA 0.733 5.474 4.740 0.001 0.000 0.298 212 N C -1.435 174.270 175.510 0.324 0.000 1.048 212 N CA -0.210 53.028 53.050 0.312 0.000 0.858 212 N CB 2.377 41.005 38.487 0.236 0.000 1.218 212 N HN 0.719 nan 8.380 nan 0.000 0.488 213 A N 2.560 125.586 122.820 0.342 0.000 2.374 213 A HA 0.687 5.007 4.320 0.001 0.000 0.317 213 A C -1.100 176.577 177.584 0.155 0.000 1.094 213 A CA -0.544 51.621 52.037 0.214 0.000 0.765 213 A CB 1.542 20.623 19.000 0.136 0.000 1.268 213 A HN 0.395 nan 8.150 nan 0.000 0.438 214 V N 0.864 120.865 119.914 0.145 0.000 2.577 214 V HA 0.713 4.833 4.120 0.001 0.000 0.303 214 V C -0.058 176.163 176.094 0.213 0.000 1.042 214 V CA -0.182 62.215 62.300 0.163 0.000 0.872 214 V CB 1.702 33.610 31.823 0.142 0.000 0.998 214 V HN 1.390 nan 8.190 nan 0.000 0.423 215 A N 4.980 127.897 122.820 0.161 0.000 2.319 215 A HA 0.854 5.174 4.320 0.001 0.000 0.310 215 A C -1.310 176.361 177.584 0.144 0.000 1.152 215 A CA -0.379 51.739 52.037 0.135 0.000 0.783 215 A CB 0.867 19.884 19.000 0.027 0.000 1.184 215 A HN 0.797 nan 8.150 nan 0.000 0.474 216 F N 2.632 122.562 119.950 -0.034 0.000 2.469 216 F HA 0.702 5.229 4.527 0.001 0.000 0.332 216 F C -0.849 174.819 175.800 -0.220 0.000 1.103 216 F CA -0.631 57.268 58.000 -0.168 0.000 0.979 216 F CB 1.824 40.694 39.000 -0.216 0.000 1.137 216 F HN 0.489 nan 8.300 nan 0.000 0.463 217 D N 4.738 124.486 120.400 -1.086 0.000 2.452 217 D HA 0.544 5.184 4.640 0.001 0.000 0.226 217 D C -1.849 173.865 176.300 -0.976 0.000 1.366 217 D CA -0.049 53.442 54.000 -0.848 0.000 0.986 217 D CB 1.370 41.927 40.800 -0.404 0.000 1.420 217 D HN 0.857 nan 8.370 nan 0.000 0.583 218 A N 3.238 125.404 122.820 -1.089 0.000 2.539 218 A HA 0.719 5.040 4.320 0.001 0.000 0.296 218 A C -0.669 176.656 177.584 -0.430 0.000 1.073 218 A CA -0.747 50.845 52.037 -0.742 0.000 0.700 218 A CB 1.538 19.974 19.000 -0.939 0.000 1.296 218 A HN 0.382 nan 8.150 nan 0.000 0.405 219 E N 0.633 120.731 120.200 -0.170 0.000 2.231 219 E HA 0.290 4.640 4.350 0.001 0.000 0.277 219 E C -1.039 175.646 176.600 0.141 0.000 0.999 219 E CA -0.404 55.953 56.400 -0.072 0.000 0.827 219 E CB 1.111 30.804 29.700 -0.012 0.000 1.101 219 E HN 0.649 nan 8.360 nan 0.000 0.393 220 W N 1.557 122.980 121.300 0.206 0.000 2.274 220 W HA -0.080 4.580 4.660 0.001 0.000 0.345 220 W C 1.697 178.239 176.519 0.038 0.000 1.265 220 W CA -0.050 57.346 57.345 0.086 0.000 1.293 220 W CB 0.280 29.705 29.460 -0.059 0.000 1.175 220 W HN 0.704 nan 8.180 nan 0.000 0.577 221 E N 0.922 121.298 120.200 0.293 0.000 2.072 221 E HA -0.108 4.243 4.350 0.001 0.000 0.191 221 E C 0.267 176.909 176.600 0.071 0.000 0.985 221 E CA 1.326 57.813 56.400 0.146 0.000 0.801 221 E CB -0.121 29.643 29.700 0.106 0.000 0.750 221 E HN 0.219 nan 8.360 nan 0.000 0.452 222 T N 2.284 116.843 114.554 0.008 0.000 2.809 222 T HA 0.440 4.791 4.350 0.001 0.000 0.296 222 T C -0.388 174.205 174.700 -0.180 0.000 1.015 222 T CA -0.343 61.700 62.100 -0.094 0.000 0.954 222 T CB 1.275 70.040 68.868 -0.171 0.000 0.950 222 T HN 0.169 nan 8.240 nan 0.000 0.450 223 V N 1.884 121.759 119.914 -0.066 0.000 3.185 223 V HA 0.490 4.610 4.120 0.001 0.000 0.305 223 V C -0.564 175.408 176.094 -0.204 0.000 1.090 223 V CA -0.756 61.531 62.300 -0.022 0.000 1.107 223 V CB -0.057 31.833 31.823 0.111 0.000 1.061 223 V HN 0.711 nan 8.190 nan 0.000 0.480 224 Y N 0.034 120.334 120.300 0.000 0.000 2.316 224 Y HA 0.564 5.115 4.550 0.001 0.000 0.331 224 Y C 0.980 176.874 175.900 -0.009 0.000 1.083 224 Y CA 0.551 58.621 58.100 -0.049 0.000 1.206 224 Y CB 0.443 38.855 38.460 -0.080 0.000 1.195 224 Y HN 0.993 nan 8.280 nan 0.000 0.497 225 E N 1.534 121.807 120.200 0.122 0.000 2.319 225 E HA 0.438 4.789 4.350 0.001 0.000 0.268 225 E C 1.148 177.795 176.600 0.079 0.000 1.050 225 E CA -0.095 56.352 56.400 0.078 0.000 0.878 225 E CB 0.494 30.220 29.700 0.042 0.000 1.066 225 E HN 0.762 nan 8.360 nan 0.000 0.406 226 K N 0.238 120.671 120.400 0.055 0.000 2.152 226 K HA 0.089 4.410 4.320 0.001 0.000 0.206 226 K C 2.389 179.013 176.600 0.040 0.000 1.048 226 K CA 2.160 58.471 56.287 0.041 0.000 0.933 226 K CB -0.974 31.545 32.500 0.031 0.000 0.721 226 K HN 1.269 nan 8.250 nan 0.000 0.447 227 A N 0.056 122.900 122.820 0.041 0.000 2.125 227 A HA -0.004 4.316 4.320 0.001 0.000 0.219 227 A C 2.372 179.989 177.584 0.054 0.000 1.156 227 A CA 1.864 53.926 52.037 0.041 0.000 0.671 227 A CB -0.373 18.645 19.000 0.031 0.000 0.794 227 A HN 0.467 nan 8.150 nan 0.000 0.459 228 S N -1.117 114.620 115.700 0.062 0.000 2.575 228 S HA 0.272 4.743 4.470 0.001 0.000 0.215 228 S C 0.130 174.758 174.600 0.047 0.000 0.966 228 S CA -0.019 58.226 58.200 0.075 0.000 0.911 228 S CB -0.168 63.102 63.200 0.117 0.000 0.780 228 S HN 0.188 nan 8.310 nan 0.000 0.514 229 V N 4.512 124.439 119.914 0.020 0.000 2.448 229 V HA 0.473 4.594 4.120 0.001 0.000 0.295 229 V C -0.241 175.862 176.094 0.015 0.000 1.025 229 V CA -0.932 61.331 62.300 -0.062 0.000 0.859 229 V CB 1.328 33.097 31.823 -0.091 0.000 0.988 229 V HN 0.489 nan 8.190 nan 0.000 0.431 230 H N 1.921 121.006 119.070 0.026 0.000 2.797 230 H HA 0.919 5.476 4.556 0.001 0.000 0.372 230 H C -0.517 174.842 175.328 0.052 0.000 1.168 230 H CA -0.476 55.597 56.048 0.042 0.000 1.163 230 H CB 2.315 32.109 29.762 0.054 0.000 1.778 230 H HN 0.625 nan 8.280 nan 0.000 0.551 231 E N 1.835 122.150 120.200 0.191 0.000 2.195 231 E HA 0.396 4.746 4.350 0.001 0.000 0.271 231 E C -1.319 175.394 176.600 0.188 0.000 0.923 231 E CA -0.924 55.545 56.400 0.116 0.000 0.790 231 E CB 1.852 31.591 29.700 0.064 0.000 1.155 231 E HN 0.711 nan 8.360 nan 0.000 0.402 232 D N 0.795 121.299 120.400 0.173 0.000 2.671 232 D HA 0.424 5.064 4.640 0.001 0.000 0.232 232 D C -0.350 176.078 176.300 0.212 0.000 1.114 232 D CA -0.414 53.713 54.000 0.212 0.000 0.858 232 D CB 1.705 42.684 40.800 0.299 0.000 1.544 232 D HN 0.403 nan 8.370 nan 0.000 0.471 233 I N 1.770 122.449 120.570 0.182 0.000 2.385 233 I HA 0.484 4.654 4.170 0.001 0.000 0.294 233 I C -0.012 176.250 176.117 0.240 0.000 0.988 233 I CA -0.683 60.704 61.300 0.146 0.000 1.265 233 I CB 0.297 38.332 38.000 0.058 0.000 1.388 233 I HN 0.336 nan 8.210 nan 0.000 0.480 234 F N 1.564 121.537 119.950 0.039 0.000 2.654 234 F HA 0.591 5.118 4.527 0.001 0.000 0.308 234 F C -0.608 175.215 175.800 0.039 0.000 1.108 234 F CA -0.841 57.186 58.000 0.044 0.000 0.957 234 F CB 1.254 40.286 39.000 0.053 0.000 1.309 234 F HN 0.232 nan 8.300 nan 0.000 0.446 235 T N 2.894 117.488 114.554 0.067 0.000 2.749 235 T HA 0.285 4.636 4.350 0.001 0.000 0.295 235 T C -0.295 174.475 174.700 0.115 0.000 0.936 235 T CA -0.361 61.727 62.100 -0.020 0.000 1.060 235 T CB 0.430 69.323 68.868 0.041 0.000 0.904 235 T HN 0.730 nan 8.240 nan 0.000 0.500 236 D N 2.146 122.535 120.400 -0.018 0.000 2.440 236 D HA 0.025 4.666 4.640 0.001 0.000 0.269 236 D C 1.648 178.005 176.300 0.096 0.000 1.249 236 D CA -0.745 53.361 54.000 0.175 0.000 1.055 236 D CB 0.122 41.012 40.800 0.150 0.000 1.104 236 D HN 0.297 nan 8.370 nan 0.000 0.561 237 V N -2.780 117.130 119.914 -0.007 0.000 3.510 237 V HA -0.023 4.098 4.120 0.001 0.000 0.270 237 V C 1.330 177.253 176.094 -0.284 0.000 1.201 237 V CA 0.788 62.984 62.300 -0.173 0.000 1.166 237 V CB -1.675 29.982 31.823 -0.276 0.000 0.825 237 V HN 0.492 nan 8.190 nan 0.000 0.484 238 Y N 1.621 121.941 120.300 0.034 0.000 2.497 238 Y HA 0.570 5.121 4.550 0.001 0.000 0.265 238 Y C 2.139 178.045 175.900 0.010 0.000 1.111 238 Y CA 0.533 58.645 58.100 0.019 0.000 1.288 238 Y CB 0.391 38.859 38.460 0.013 0.000 1.082 238 Y HN 0.397 nan 8.280 nan 0.000 0.536 239 G N 0.091 108.965 108.800 0.123 0.000 2.148 239 G HA2 -0.224 3.737 3.960 0.001 0.000 0.203 239 G HA3 -0.224 3.737 3.960 0.001 0.000 0.203 239 G C -0.502 174.425 174.900 0.045 0.000 0.993 239 G CA -0.492 44.650 45.100 0.070 0.000 0.661 239 G HN 0.230 nan 8.290 nan 0.000 0.518 240 N N 0.374 119.100 118.700 0.044 0.000 2.361 240 N HA 0.507 5.247 4.740 0.001 0.000 0.302 240 N C 0.227 175.676 175.510 -0.101 0.000 1.074 240 N CA -0.625 52.417 53.050 -0.014 0.000 0.850 240 N CB 1.126 39.611 38.487 -0.004 0.000 1.228 240 N HN 0.285 nan 8.380 nan 0.000 0.491 241 R N 1.142 121.574 120.500 -0.113 0.000 2.489 241 R HA 0.114 4.455 4.340 0.001 0.000 0.287 241 R C -0.066 176.075 176.300 -0.266 0.000 1.053 241 R CA 0.202 56.193 56.100 -0.183 0.000 1.036 241 R CB 0.347 30.586 30.300 -0.101 0.000 0.966 241 R HN 0.460 nan 8.270 nan 0.000 0.432 242 Q N 1.285 120.788 119.800 -0.495 0.000 2.501 242 Q HA 0.365 4.705 4.340 0.001 0.000 0.288 242 Q C -1.562 174.203 176.000 -0.393 0.000 1.051 242 Q CA -0.795 54.690 55.803 -0.530 0.000 0.788 242 Q CB 1.998 30.230 28.738 -0.843 0.000 1.469 242 Q HN 0.349 nan 8.270 nan 0.000 0.416 243 K N 0.678 121.015 120.400 -0.106 0.000 2.182 243 K HA 0.762 5.082 4.320 0.001 0.000 0.262 243 K C -1.567 175.147 176.600 0.190 0.000 0.957 243 K CA -0.683 55.640 56.287 0.061 0.000 0.842 243 K CB 1.557 34.071 32.500 0.023 0.000 1.099 243 K HN 0.420 nan 8.250 nan 0.000 0.438 244 V N 3.662 123.679 119.914 0.172 0.000 2.638 244 V HA 0.245 4.366 4.120 0.001 0.000 0.306 244 V C -1.220 174.731 176.094 -0.239 0.000 1.052 244 V CA -0.757 61.503 62.300 -0.067 0.000 0.885 244 V CB 2.076 33.730 31.823 -0.281 0.000 0.999 244 V HN 0.806 nan 8.190 nan 0.000 0.424 245 E N 4.828 124.845 120.200 -0.304 0.000 2.134 245 E HA 0.425 4.776 4.350 0.001 0.000 0.278 245 E C -1.397 174.916 176.600 -0.478 0.000 0.959 245 E CA -0.256 55.964 56.400 -0.299 0.000 0.783 245 E CB 1.719 31.308 29.700 -0.185 0.000 1.095 245 E HN 0.491 nan 8.360 nan 0.000 0.399 246 F N 2.843 122.565 119.950 -0.380 0.000 2.405 246 F HA 0.299 4.826 4.527 0.001 0.000 0.355 246 F C 0.533 176.020 175.800 -0.522 0.000 1.121 246 F CA -0.739 56.989 58.000 -0.452 0.000 1.112 246 F CB 0.867 39.577 39.000 -0.484 0.000 1.126 246 F HN 0.216 nan 8.300 nan 0.000 0.481 247 M N 4.101 123.526 119.600 -0.292 0.000 2.063 247 M HA 0.267 4.747 4.480 0.001 0.000 0.348 247 M C -0.857 175.238 176.300 -0.342 0.000 1.180 247 M CA -0.359 54.610 55.300 -0.552 0.000 1.059 247 M CB 0.605 32.452 32.600 -1.254 0.000 1.544 247 M HN 0.466 nan 8.290 nan 0.000 0.447 248 N N 1.738 120.367 118.700 -0.118 0.000 2.473 248 N HA 0.623 5.364 4.740 0.001 0.000 0.291 248 N C -0.920 174.651 175.510 0.102 0.000 1.083 248 N CA -0.207 52.844 53.050 0.002 0.000 0.951 248 N CB 1.552 40.060 38.487 0.035 0.000 1.164 248 N HN 0.714 nan 8.380 nan 0.000 0.480 249 S N -0.194 115.513 115.700 0.011 0.000 2.643 249 S HA 0.432 4.902 4.470 0.001 0.000 0.270 249 S C -1.329 173.180 174.600 -0.152 0.000 1.166 249 S CA -1.060 57.101 58.200 -0.065 0.000 0.815 249 S CB 1.425 64.536 63.200 -0.148 0.000 1.139 249 S HN 0.402 nan 8.310 nan 0.000 0.472 250 E N 0.668 120.776 120.200 -0.153 0.000 2.174 250 E HA 0.473 4.823 4.350 0.001 0.000 0.282 250 E C -0.725 175.772 176.600 -0.172 0.000 0.992 250 E CA -0.601 55.709 56.400 -0.150 0.000 0.803 250 E CB 0.949 30.586 29.700 -0.106 0.000 1.090 250 E HN 0.423 nan 8.360 nan 0.000 0.396 251 E N 1.757 121.852 120.200 -0.175 0.000 2.263 251 E HA 0.318 4.669 4.350 0.001 0.000 0.264 251 E C -0.038 176.536 176.600 -0.043 0.000 0.923 251 E CA -0.692 55.635 56.400 -0.122 0.000 0.802 251 E CB 1.268 30.869 29.700 -0.165 0.000 1.228 251 E HN 0.398 nan 8.360 nan 0.000 0.417 252 N N 0.556 119.261 118.700 0.008 0.000 2.170 252 N HA 0.204 4.944 4.740 0.001 0.000 0.222 252 N C -0.352 175.203 175.510 0.075 0.000 1.218 252 N CA 0.108 53.173 53.050 0.026 0.000 0.889 252 N CB 1.383 39.875 38.487 0.008 0.000 1.083 252 N HN 0.243 nan 8.380 nan 0.000 0.520 253 L N 0.904 122.203 121.223 0.126 0.000 2.365 253 L HA 0.397 4.738 4.340 0.001 0.000 0.273 253 L C -1.422 175.605 176.870 0.262 0.000 1.000 253 L CA -0.895 54.042 54.840 0.162 0.000 0.819 253 L CB 1.954 44.092 42.059 0.132 0.000 1.284 253 L HN -0.014 nan 8.230 nan 0.000 0.418 254 Y N 4.406 124.749 120.300 0.072 0.000 2.329 254 Y HA 0.533 5.083 4.550 0.001 0.000 0.328 254 Y C -0.630 175.294 175.900 0.040 0.000 0.992 254 Y CA -0.853 57.292 58.100 0.076 0.000 1.151 254 Y CB 1.083 39.575 38.460 0.054 0.000 1.150 254 Y HN 0.377 nan 8.280 nan 0.000 0.450 255 I N 5.609 125.943 120.570 -0.394 0.000 2.441 255 I HA 0.274 4.445 4.170 0.001 0.000 0.287 255 I C -0.251 175.387 176.117 -0.798 0.000 1.049 255 I CA 0.176 61.204 61.300 -0.454 0.000 1.381 255 I CB 1.014 38.844 38.000 -0.282 0.000 1.409 255 I HN 0.622 nan 8.210 nan 0.000 0.523 256 E N 4.680 124.565 120.200 -0.525 0.000 2.291 256 E HA 0.621 4.972 4.350 0.001 0.000 0.276 256 E C -0.999 175.491 176.600 -0.184 0.000 0.896 256 E CA -0.249 55.918 56.400 -0.388 0.000 0.774 256 E CB 1.583 31.082 29.700 -0.335 0.000 1.227 256 E HN 0.673 nan 8.360 nan 0.000 0.413 257 E N 1.600 121.716 120.200 -0.140 0.000 2.450 257 E HA 0.543 4.893 4.350 0.001 0.000 0.272 257 E C 0.636 177.202 176.600 -0.056 0.000 0.967 257 E CA 0.221 56.578 56.400 -0.073 0.000 0.818 257 E CB 0.134 29.809 29.700 -0.042 0.000 1.401 257 E HN 0.535 nan 8.360 nan 0.000 0.450 258 E N 0.497 120.687 120.200 -0.017 0.000 2.065 258 E HA -0.217 4.134 4.350 0.001 0.000 0.201 258 E C 0.835 177.414 176.600 -0.035 0.000 1.016 258 E CA 1.971 58.366 56.400 -0.008 0.000 0.818 258 E CB -0.443 29.270 29.700 0.022 0.000 0.749 258 E HN 0.518 nan 8.360 nan 0.000 0.453 259 N N 0.008 118.669 118.700 -0.065 0.000 2.541 259 N HA 0.532 5.273 4.740 0.001 0.000 0.297 259 N C -0.821 174.432 175.510 -0.428 0.000 1.503 259 N CA 0.695 53.651 53.050 -0.155 0.000 0.919 259 N CB 1.464 39.920 38.487 -0.051 0.000 1.305 259 N HN 0.555 nan 8.380 nan 0.000 0.501 260 A N -0.069 122.552 122.820 -0.331 0.000 2.532 260 A HA 0.740 5.060 4.320 0.001 0.000 0.296 260 A C -0.954 176.494 177.584 -0.227 0.000 1.058 260 A CA -0.539 51.261 52.037 -0.396 0.000 0.729 260 A CB 0.640 19.329 19.000 -0.518 0.000 1.285 260 A HN 0.152 nan 8.150 nan 0.000 0.396 261 I N 0.019 120.487 120.570 -0.170 0.000 2.769 261 I HA 1.035 5.205 4.170 0.001 0.000 0.298 261 I C 0.406 176.492 176.117 -0.051 0.000 1.128 261 I CA -0.051 61.180 61.300 -0.115 0.000 1.031 261 I CB 1.320 39.339 38.000 0.031 0.000 1.235 261 I HN 2.229 nan 8.210 nan 0.000 0.423 262 G N 1.906 110.685 108.800 -0.035 0.000 2.364 262 G HA2 0.831 4.791 3.960 0.001 0.000 0.286 262 G HA3 0.831 4.791 3.960 0.001 0.000 0.286 262 G C -1.306 173.737 174.900 0.238 0.000 1.241 262 G CA 0.360 45.519 45.100 0.097 0.000 0.887 262 G HN 2.313 nan 8.290 nan 0.000 0.484 263 F N -1.521 118.500 119.950 0.119 0.000 2.662 263 F HA 0.848 5.375 4.527 0.001 0.000 0.312 263 F C -1.188 174.689 175.800 0.128 0.000 1.113 263 F CA -1.498 56.586 58.000 0.139 0.000 0.951 263 F CB 1.823 40.925 39.000 0.170 0.000 1.344 263 F HN 0.445 nan 8.300 nan 0.000 0.462 264 V N 2.055 122.150 119.914 0.301 0.000 2.444 264 V HA 0.434 4.554 4.120 0.001 0.000 0.294 264 V C -0.703 175.590 176.094 0.332 0.000 1.022 264 V CA -0.830 61.596 62.300 0.211 0.000 0.850 264 V CB 1.454 33.344 31.823 0.112 0.000 0.992 264 V HN 0.814 nan 8.190 nan 0.000 0.426 265 K N 7.407 128.027 120.400 0.367 0.000 2.339 265 K HA 0.532 4.853 4.320 0.001 0.000 0.264 265 K C -2.675 174.027 176.600 0.170 0.000 0.986 265 K CA -1.964 54.471 56.287 0.247 0.000 0.866 265 K CB 2.120 34.718 32.500 0.163 0.000 1.103 265 K HN 0.383 nan 8.250 nan 0.000 0.441 266 P HA 0.069 nan 4.420 nan 0.000 0.278 266 P C -1.084 176.307 177.300 0.151 0.000 1.238 266 P CA -0.078 63.109 63.100 0.145 0.000 0.794 266 P CB 0.526 32.300 31.700 0.124 0.000 0.955 267 Y N 0.436 120.965 120.300 0.380 0.000 2.374 267 Y HA 0.439 4.989 4.550 0.001 0.000 0.322 267 Y C 1.412 177.435 175.900 0.204 0.000 1.275 267 Y CA -0.816 57.477 58.100 0.321 0.000 1.307 267 Y CB 0.519 39.174 38.460 0.326 0.000 1.282 267 Y HN 0.411 nan 8.280 nan 0.000 0.509 268 A N 1.815 124.830 122.820 0.326 0.000 2.520 268 A HA 0.201 4.521 4.320 0.001 0.000 0.235 268 A C 0.762 178.431 177.584 0.142 0.000 1.065 268 A CA -0.146 51.999 52.037 0.180 0.000 0.764 268 A CB -0.040 19.040 19.000 0.134 0.000 1.002 268 A HN 0.902 nan 8.150 nan 0.000 0.502 269 K N 0.145 120.573 120.400 0.046 0.000 3.584 269 K HA -0.250 4.071 4.320 0.001 0.000 0.300 269 K C 0.345 176.749 176.600 -0.327 0.000 1.285 269 K CA 1.291 57.529 56.287 -0.082 0.000 1.008 269 K CB -1.944 30.581 32.500 0.042 0.000 1.271 269 K HN 1.424 nan 8.250 nan 0.000 0.447 270 N N 0.066 118.697 118.700 -0.115 0.000 2.754 270 N HA -0.195 4.546 4.740 0.001 0.000 0.248 270 N C 0.339 175.731 175.510 -0.196 0.000 1.093 270 N CA 1.498 54.488 53.050 -0.099 0.000 0.699 270 N CB -0.840 37.589 38.487 -0.097 0.000 1.016 270 N HN 0.532 nan 8.380 nan 0.000 0.552 271 H N -1.975 117.113 119.070 0.030 0.000 2.516 271 H HA 0.196 4.752 4.556 0.001 0.000 0.284 271 H C -0.051 175.005 175.328 -0.453 0.000 0.999 271 H CA 0.947 56.846 56.048 -0.249 0.000 1.303 271 H CB 0.255 29.804 29.762 -0.354 0.000 1.452 271 H HN 0.356 nan 8.280 nan 0.000 0.530 272 Y N -0.362 120.177 120.300 0.398 0.000 2.536 272 Y HA 0.495 5.046 4.550 0.001 0.000 0.347 272 Y C 0.151 176.415 175.900 0.607 0.000 1.000 272 Y CA -0.763 57.598 58.100 0.435 0.000 1.051 272 Y CB 2.114 40.827 38.460 0.421 0.000 1.259 272 Y HN -0.216 nan 8.280 nan 0.000 0.468 273 S N 0.882 116.991 115.700 0.683 0.000 2.627 273 S HA 0.551 5.022 4.470 0.001 0.000 0.283 273 S C -1.966 172.969 174.600 0.559 0.000 1.127 273 S CA -0.791 57.715 58.200 0.510 0.000 0.863 273 S CB 1.684 65.059 63.200 0.292 0.000 1.121 273 S HN 0.469 nan 8.310 nan 0.000 0.479 274 F N 2.072 122.177 119.950 0.258 0.000 2.427 274 F HA 0.648 5.176 4.527 0.001 0.000 0.346 274 F C -0.738 175.159 175.800 0.162 0.000 1.120 274 F CA -0.476 57.713 58.000 0.314 0.000 1.033 274 F CB 0.841 40.095 39.000 0.423 0.000 1.126 274 F HN 0.246 nan 8.300 nan 0.000 0.462 275 V N 5.768 125.513 119.914 -0.281 0.000 2.398 275 V HA 0.727 4.848 4.120 0.001 0.000 0.286 275 V C -0.217 175.621 176.094 -0.426 0.000 1.026 275 V CA -0.631 61.509 62.300 -0.267 0.000 0.868 275 V CB 1.128 32.838 31.823 -0.189 0.000 0.982 275 V HN 0.913 nan 8.190 nan 0.000 0.443 276 A N 6.569 129.136 122.820 -0.421 0.000 2.318 276 A HA 0.889 5.210 4.320 0.001 0.000 0.317 276 A C -0.836 176.539 177.584 -0.348 0.000 1.159 276 A CA -0.447 51.355 52.037 -0.391 0.000 0.799 276 A CB 0.684 19.410 19.000 -0.458 0.000 1.194 276 A HN 0.770 nan 8.150 nan 0.000 0.479 277 I N 3.707 124.035 120.570 -0.403 0.000 2.410 277 I HA 0.257 4.427 4.170 0.001 0.000 0.286 277 I C -0.431 175.571 176.117 -0.192 0.000 1.009 277 I CA -0.341 60.814 61.300 -0.242 0.000 1.111 277 I CB 1.581 39.474 38.000 -0.177 0.000 1.262 277 I HN 0.573 nan 8.210 nan 0.000 0.443 278 L N 7.151 128.386 121.223 0.021 0.000 2.464 278 L HA 0.320 4.660 4.340 0.001 0.000 0.264 278 L C -1.813 175.099 176.870 0.069 0.000 1.199 278 L CA -1.496 53.447 54.840 0.172 0.000 0.818 278 L CB -0.492 41.674 42.059 0.177 0.000 1.102 278 L HN 0.307 nan 8.230 nan 0.000 0.473 288 Y N 2.277 122.571 120.300 -0.009 0.000 2.145 288 Y HA -0.114 4.436 4.550 0.001 0.000 0.286 288 Y C 2.118 178.016 175.900 -0.002 0.000 1.145 288 Y CA 2.729 60.828 58.100 -0.003 0.000 1.148 288 Y CB 0.057 38.518 38.460 0.001 0.000 0.981 288 Y HN 0.349 nan 8.280 nan 0.000 0.507 289 I N 0.382 120.906 120.570 -0.076 0.000 2.315 289 I HA -0.162 4.009 4.170 0.001 0.000 0.248 289 I C 2.420 178.425 176.117 -0.187 0.000 1.117 289 I CA 1.836 63.031 61.300 -0.176 0.000 1.404 289 I CB -2.215 35.734 38.000 -0.084 0.000 1.071 289 I HN 0.294 nan 8.210 nan 0.000 0.419 290 K N 1.572 121.899 120.400 -0.123 0.000 2.217 290 K HA -0.067 4.254 4.320 0.001 0.000 0.202 290 K C 1.986 178.521 176.600 -0.108 0.000 1.051 290 K CA 1.646 57.870 56.287 -0.106 0.000 0.952 290 K CB -1.512 30.947 32.500 -0.069 0.000 0.736 290 K HN 0.675 nan 8.250 nan 0.000 0.453 291 T N -1.775 112.705 114.554 -0.123 0.000 3.060 291 T HA 0.291 4.641 4.350 0.001 0.000 0.249 291 T C 0.668 175.279 174.700 -0.150 0.000 1.079 291 T CA -0.279 61.759 62.100 -0.105 0.000 1.013 291 T CB -0.257 68.578 68.868 -0.055 0.000 0.975 291 T HN 0.184 nan 8.240 nan 0.000 0.518 292 L N 4.335 125.405 121.223 -0.256 0.000 2.499 292 L HA 0.416 4.757 4.340 0.001 0.000 0.273 292 L C 0.378 177.173 176.870 -0.126 0.000 1.195 292 L CA 0.584 55.261 54.840 -0.271 0.000 0.882 292 L CB 0.352 42.174 42.059 -0.395 0.000 1.133 292 L HN 0.504 nan 8.230 nan 0.000 0.483 293 T N 0.819 115.336 114.554 -0.061 0.000 2.888 293 T HA 0.610 4.961 4.350 0.001 0.000 0.288 293 T C 1.008 175.728 174.700 0.034 0.000 1.063 293 T CA -0.316 61.773 62.100 -0.019 0.000 1.010 293 T CB 1.151 70.017 68.868 -0.004 0.000 1.214 293 T HN 0.558 nan 8.240 nan 0.000 0.533 294 G N -0.433 108.391 108.800 0.040 0.000 2.433 294 G HA2 -0.208 3.753 3.960 0.001 0.000 0.216 294 G HA3 -0.208 3.753 3.960 0.001 0.000 0.216 294 G C 1.280 176.300 174.900 0.200 0.000 1.186 294 G CA 1.119 46.267 45.100 0.081 0.000 0.779 294 G HN 0.860 nan 8.290 nan 0.000 0.543 295 Q N 0.237 120.182 119.800 0.242 0.000 2.077 295 Q HA -0.205 4.135 4.340 0.001 0.000 0.206 295 Q C 2.554 178.689 176.000 0.226 0.000 0.989 295 Q CA 1.910 57.911 55.803 0.330 0.000 0.853 295 Q CB -0.184 28.623 28.738 0.115 0.000 0.907 295 Q HN 0.466 nan 8.270 nan 0.000 0.418 296 K N -0.534 119.949 120.400 0.139 0.000 2.063 296 K HA -0.171 4.150 4.320 0.001 0.000 0.208 296 K C 1.925 178.597 176.600 0.121 0.000 1.048 296 K CA 1.502 57.852 56.287 0.105 0.000 0.928 296 K CB -0.290 32.251 32.500 0.068 0.000 0.713 296 K HN 0.215 nan 8.250 nan 0.000 0.442 297 F N 1.501 121.451 119.950 0.000 0.000 2.113 297 F HA -0.175 4.353 4.527 0.001 0.000 0.297 297 F C 1.890 177.672 175.800 -0.030 0.000 1.103 297 F CA 1.082 59.065 58.000 -0.028 0.000 1.248 297 F CB 0.028 38.984 39.000 -0.074 0.000 0.999 297 F HN -0.123 nan 8.300 nan 0.000 0.475 298 I N 0.666 121.321 120.570 0.141 0.000 2.226 298 I HA -0.274 3.897 4.170 0.001 0.000 0.245 298 I C 1.863 177.945 176.117 -0.059 0.000 1.100 298 I CA 1.518 62.813 61.300 -0.009 0.000 1.374 298 I CB -1.322 36.611 38.000 -0.111 0.000 1.057 298 I HN 0.193 nan 8.210 nan 0.000 0.413 299 D N 0.617 121.034 120.400 0.029 0.000 2.224 299 D HA -0.097 4.543 4.640 0.001 0.000 0.205 299 D C 2.293 178.565 176.300 -0.046 0.000 0.965 299 D CA 0.633 54.649 54.000 0.027 0.000 0.852 299 D CB -0.083 40.767 40.800 0.082 0.000 0.947 299 D HN 0.404 nan 8.370 nan 0.000 0.494 300 L N -1.061 120.101 121.223 -0.102 0.000 2.291 300 L HA 0.039 4.380 4.340 0.001 0.000 0.214 300 L C 1.815 178.564 176.870 -0.202 0.000 1.120 300 L CA 0.945 55.699 54.840 -0.143 0.000 0.799 300 L CB -0.141 41.834 42.059 -0.140 0.000 0.925 300 L HN -0.123 nan 8.230 nan 0.000 0.446 301 I N -0.207 120.209 120.570 -0.257 0.000 2.585 301 I HA -0.103 4.068 4.170 0.001 0.000 0.254 301 I C 2.438 178.487 176.117 -0.113 0.000 1.129 301 I CA 0.551 61.718 61.300 -0.221 0.000 1.455 301 I CB -0.111 37.708 38.000 -0.301 0.000 1.111 301 I HN 0.159 nan 8.210 nan 0.000 0.433 302 K N 0.989 121.338 120.400 -0.085 0.000 2.103 302 K HA -0.155 4.165 4.320 0.001 0.000 0.207 302 K C 0.897 177.484 176.600 -0.022 0.000 1.048 302 K CA 1.543 57.810 56.287 -0.033 0.000 0.930 302 K CB -0.250 32.247 32.500 -0.005 0.000 0.716 302 K HN 0.291 nan 8.250 nan 0.000 0.444 303 N N 0.253 118.933 118.700 -0.034 0.000 2.322 303 N HA 0.098 4.838 4.740 0.001 0.000 0.216 303 N C -0.855 174.637 175.510 -0.031 0.000 1.144 303 N CA -0.328 52.708 53.050 -0.023 0.000 0.830 303 N CB 0.697 39.172 38.487 -0.021 0.000 1.034 303 N HN 0.139 nan 8.380 nan 0.000 0.484 304 A N 0.691 123.490 122.820 -0.035 0.000 2.488 304 A HA 0.487 4.807 4.320 0.001 0.000 0.249 304 A C 0.668 178.273 177.584 0.035 0.000 1.083 304 A CA -0.187 51.839 52.037 -0.018 0.000 0.768 304 A CB -0.039 18.954 19.000 -0.011 0.000 1.017 304 A HN 0.344 nan 8.150 nan 0.000 0.496 305 K N 2.742 123.193 120.400 0.086 0.000 2.159 305 K HA 0.595 4.915 4.320 0.001 0.000 0.266 305 K C -0.337 176.335 176.600 0.120 0.000 0.975 305 K CA -0.544 55.809 56.287 0.110 0.000 0.865 305 K CB 0.530 33.119 32.500 0.149 0.000 1.087 305 K HN 0.674 nan 8.250 nan 0.000 0.446 306 I N 3.069 123.684 120.570 0.076 0.000 2.455 306 I HA 0.127 4.297 4.170 0.001 0.000 0.303 306 I C 0.687 176.831 176.117 0.045 0.000 1.180 306 I CA 0.295 61.630 61.300 0.059 0.000 1.469 306 I CB 0.013 38.036 38.000 0.038 0.000 1.480 306 I HN 0.718 nan 8.210 nan 0.000 0.669 307 T N 5.565 120.149 114.554 0.049 0.000 2.894 307 T HA 0.452 4.802 4.350 0.001 0.000 0.309 307 T C -0.905 173.778 174.700 -0.027 0.000 1.208 307 T CA -0.689 61.410 62.100 -0.003 0.000 1.016 307 T CB 1.399 70.245 68.868 -0.037 0.000 1.192 307 T HN 0.237 nan 8.240 nan 0.000 0.491 308 L N 4.923 126.110 121.223 -0.060 0.000 2.367 308 L HA 0.674 5.015 4.340 0.001 0.000 0.275 308 L C -0.314 176.490 176.870 -0.110 0.000 1.129 308 L CA 0.139 54.936 54.840 -0.071 0.000 0.839 308 L CB 0.723 42.741 42.059 -0.068 0.000 1.133 308 L HN 0.560 nan 8.230 nan 0.000 0.453 309 V N 1.808 121.660 119.914 -0.102 0.000 2.735 309 V HA 0.794 4.914 4.120 0.001 0.000 0.310 309 V C 0.117 176.125 176.094 -0.143 0.000 1.061 309 V CA -0.595 61.632 62.300 -0.123 0.000 0.913 309 V CB 1.465 33.249 31.823 -0.065 0.000 1.005 309 V HN 0.827 nan 8.190 nan 0.000 0.428 310 R N 2.772 123.195 120.500 -0.128 0.000 3.266 310 R HA 0.812 5.153 4.340 0.001 0.000 0.224 310 R C 0.401 176.604 176.300 -0.162 0.000 1.525 310 R CA 0.212 56.235 56.100 -0.128 0.000 1.364 310 R CB -0.472 29.773 30.300 -0.091 0.000 1.276 310 R HN 2.037 nan 8.270 nan 0.000 0.660 311 A N 1.060 123.710 122.820 -0.283 0.000 2.401 311 A HA 0.586 4.907 4.320 0.001 0.000 0.259 311 A C 0.055 177.479 177.584 -0.267 0.000 1.103 311 A CA -0.136 51.623 52.037 -0.463 0.000 0.789 311 A CB 0.613 18.895 19.000 -1.198 0.000 1.035 311 A HN 0.637 nan 8.150 nan 0.000 0.491 312 S N 1.116 116.738 115.700 -0.130 0.000 2.498 312 S HA 0.548 5.018 4.470 0.001 0.000 0.317 312 S C -0.922 173.753 174.600 0.126 0.000 1.090 312 S CA -0.362 57.806 58.200 -0.054 0.000 1.089 312 S CB 0.999 64.094 63.200 -0.175 0.000 0.997 312 S HN 0.670 nan 8.310 nan 0.000 0.470 313 L N 6.023 127.317 121.223 0.118 0.000 2.356 313 L HA 0.647 4.987 4.340 0.001 0.000 0.277 313 L C -2.527 174.405 176.870 0.102 0.000 0.996 313 L CA -1.925 53.034 54.840 0.199 0.000 0.822 313 L CB 1.524 43.677 42.059 0.156 0.000 1.256 313 L HN 0.312 nan 8.230 nan 0.000 0.413 314 P HA 0.116 nan 4.420 nan 0.000 0.274 314 P C -1.580 175.699 177.300 -0.036 0.000 1.231 314 P CA -0.455 62.614 63.100 -0.052 0.000 0.790 314 P CB 0.731 32.392 31.700 -0.065 0.000 0.951 315 K N 2.971 123.275 120.400 -0.160 0.000 2.316 315 K HA 0.432 4.752 4.320 0.001 0.000 0.267 315 K C -1.060 175.503 176.600 -0.061 0.000 1.025 315 K CA -0.596 55.563 56.287 -0.212 0.000 0.896 315 K CB -0.015 32.358 32.500 -0.211 0.000 1.124 315 K HN 0.420 nan 8.250 nan 0.000 0.451 316 F N 1.368 121.271 119.950 -0.078 0.000 2.588 316 F HA 0.575 5.103 4.527 0.001 0.000 0.310 316 F C -1.231 174.555 175.800 -0.022 0.000 1.082 316 F CA -1.078 56.923 58.000 0.002 0.000 0.929 316 F CB 1.508 40.563 39.000 0.092 0.000 1.254 316 F HN 0.246 nan 8.300 nan 0.000 0.455 317 K N 3.189 123.728 120.400 0.232 0.000 2.565 317 K HA 0.549 4.870 4.320 0.001 0.000 0.249 317 K C -2.277 174.449 176.600 0.210 0.000 0.958 317 K CA -0.596 55.705 56.287 0.024 0.000 0.806 317 K CB 2.300 34.806 32.500 0.010 0.000 1.194 317 K HN 0.969 nan 8.250 nan 0.000 0.434 318 Y N -0.439 119.850 120.300 -0.018 0.000 2.677 318 Y HA 0.441 4.992 4.550 0.001 0.000 0.334 318 Y C -1.467 174.523 175.900 0.150 0.000 1.196 318 Y CA -1.128 57.044 58.100 0.120 0.000 1.059 318 Y CB 0.985 39.554 38.460 0.182 0.000 1.315 318 Y HN 0.471 nan 8.280 nan 0.000 0.455 319 E N 0.786 121.270 120.200 0.473 0.000 2.222 319 E HA 0.482 4.833 4.350 0.001 0.000 0.267 319 E C -2.151 174.805 176.600 0.593 0.000 0.963 319 E CA -1.197 55.479 56.400 0.460 0.000 0.837 319 E CB 2.764 32.694 29.700 0.384 0.000 1.183 319 E HN 0.608 nan 8.360 nan 0.000 0.403 320 Y N 0.482 120.989 120.300 0.345 0.000 2.362 320 Y HA 0.260 4.810 4.550 0.001 0.000 0.326 320 Y C -1.357 174.687 175.900 0.239 0.000 1.083 320 Y CA -0.454 57.835 58.100 0.315 0.000 1.073 320 Y CB 1.836 40.532 38.460 0.393 0.000 1.211 320 Y HN 0.376 nan 8.280 nan 0.000 0.433 321 T N 7.526 121.936 114.554 -0.239 0.000 2.807 321 T HA 0.653 5.004 4.350 0.001 0.000 0.279 321 T C -1.217 173.246 174.700 -0.394 0.000 0.993 321 T CA -0.488 61.500 62.100 -0.186 0.000 0.970 321 T CB 1.167 69.995 68.868 -0.067 0.000 0.950 321 T HN 0.611 nan 8.240 nan 0.000 0.441 322 I N 2.055 122.524 120.570 -0.168 0.000 2.656 322 I HA 0.452 4.622 4.170 0.001 0.000 0.292 322 I C -0.860 175.273 176.117 0.027 0.000 1.144 322 I CA -0.932 60.301 61.300 -0.112 0.000 1.038 322 I CB 1.931 39.901 38.000 -0.051 0.000 1.244 322 I HN 0.414 nan 8.210 nan 0.000 0.420 323 K N 7.183 127.591 120.400 0.012 0.000 2.285 323 K HA 0.333 4.654 4.320 0.001 0.000 0.286 323 K C 0.156 176.772 176.600 0.027 0.000 1.072 323 K CA -0.387 55.922 56.287 0.036 0.000 0.913 323 K CB 1.054 33.567 32.500 0.021 0.000 1.067 323 K HN 0.758 nan 8.250 nan 0.000 0.479 324 M N 3.247 122.876 119.600 0.049 0.000 2.495 324 M HA -0.033 4.448 4.480 0.001 0.000 0.237 324 M C 0.767 177.041 176.300 -0.044 0.000 1.131 324 M CA 0.060 55.373 55.300 0.021 0.000 1.032 324 M CB 0.070 32.705 32.600 0.058 0.000 1.513 324 M HN 0.614 nan 8.290 nan 0.000 0.488 325 N N 1.225 119.848 118.700 -0.128 0.000 2.049 325 N HA -0.240 4.501 4.740 0.001 0.000 0.198 325 N C 1.490 176.690 175.510 -0.518 0.000 1.030 325 N CA 1.666 54.383 53.050 -0.555 0.000 0.870 325 N CB -0.315 37.874 38.487 -0.498 0.000 1.045 325 N HN 0.273 nan 8.380 nan 0.000 0.434 326 E N -0.293 119.750 120.200 -0.261 0.000 2.077 326 E HA -0.057 4.293 4.350 0.001 0.000 0.193 326 E C 1.859 178.378 176.600 -0.134 0.000 0.989 326 E CA 1.315 57.608 56.400 -0.178 0.000 0.800 326 E CB -0.409 29.233 29.700 -0.096 0.000 0.746 326 E HN 0.340 nan 8.360 nan 0.000 0.452 327 T N 0.681 115.172 114.554 -0.104 0.000 2.674 327 T HA -0.134 4.217 4.350 0.001 0.000 0.265 327 T C 1.874 176.548 174.700 -0.044 0.000 1.039 327 T CA 1.302 63.355 62.100 -0.079 0.000 1.150 327 T CB -0.348 68.470 68.868 -0.083 0.000 0.864 327 T HN 0.104 nan 8.240 nan 0.000 0.427 328 L N 0.606 121.824 121.223 -0.009 0.000 2.079 328 L HA -0.147 4.193 4.340 0.001 0.000 0.210 328 L C 2.730 179.668 176.870 0.113 0.000 1.081 328 L CA 1.478 56.388 54.840 0.117 0.000 0.752 328 L CB -0.610 41.619 42.059 0.284 0.000 0.896 328 L HN 0.342 nan 8.230 nan 0.000 0.433 329 E N -0.011 120.182 120.200 -0.011 0.000 2.058 329 E HA -0.218 4.133 4.350 0.001 0.000 0.194 329 E C 2.154 178.766 176.600 0.019 0.000 0.997 329 E CA 1.660 58.066 56.400 0.012 0.000 0.801 329 E CB -0.101 29.537 29.700 -0.104 0.000 0.746 329 E HN 0.497 nan 8.360 nan 0.000 0.450 330 S N 0.146 115.836 115.700 -0.017 0.000 2.595 330 S HA -0.021 4.449 4.470 0.001 0.000 0.235 330 S C 1.460 176.062 174.600 0.003 0.000 0.974 330 S CA 0.454 58.644 58.200 -0.017 0.000 0.942 330 S CB -0.088 63.086 63.200 -0.044 0.000 0.766 330 S HN 0.175 nan 8.310 nan 0.000 0.536 331 L N 0.275 121.519 121.223 0.035 0.000 2.728 331 L HA 0.419 4.759 4.340 0.001 0.000 0.238 331 L C 1.697 178.613 176.870 0.077 0.000 1.143 331 L CA 0.284 55.160 54.840 0.060 0.000 0.937 331 L CB -0.022 42.096 42.059 0.099 0.000 1.225 331 L HN 0.558 nan 8.230 nan 0.000 0.507 332 G N 0.030 108.874 108.800 0.073 0.000 2.194 332 G HA2 -0.284 3.677 3.960 0.001 0.000 0.236 332 G HA3 -0.284 3.677 3.960 0.001 0.000 0.236 332 G C 0.471 175.433 174.900 0.104 0.000 0.987 332 G CA -0.330 44.813 45.100 0.072 0.000 0.635 332 G HN 0.209 nan 8.290 nan 0.000 0.520 333 M N 3.032 122.729 119.600 0.161 0.000 3.442 333 M HA 0.192 4.673 4.480 0.001 0.000 0.232 333 M C 1.936 178.438 176.300 0.336 0.000 1.508 333 M CA 1.095 56.538 55.300 0.239 0.000 1.647 333 M CB -0.147 32.665 32.600 0.354 0.000 1.126 333 M HN 0.485 nan 8.290 nan 0.000 0.557 334 T N -3.482 111.200 114.554 0.214 0.000 3.004 334 T HA 0.017 4.368 4.350 0.001 0.000 0.243 334 T C 1.163 175.989 174.700 0.210 0.000 1.020 334 T CA 0.506 62.738 62.100 0.219 0.000 1.145 334 T CB 0.005 68.939 68.868 0.111 0.000 0.876 334 T HN 0.306 nan 8.240 nan 0.000 0.449 335 D N 2.465 122.928 120.400 0.105 0.000 2.158 335 D HA 0.041 4.682 4.640 0.001 0.000 0.197 335 D C 2.309 178.641 176.300 0.053 0.000 0.995 335 D CA 1.504 55.531 54.000 0.046 0.000 0.846 335 D CB -0.567 40.219 40.800 -0.024 0.000 0.941 335 D HN 0.583 nan 8.370 nan 0.000 0.456 336 A N -0.512 122.322 122.820 0.023 0.000 2.070 336 A HA -0.109 4.211 4.320 0.001 0.000 0.220 336 A C 1.462 179.028 177.584 -0.031 0.000 1.159 336 A CA 0.838 52.867 52.037 -0.013 0.000 0.656 336 A CB -0.661 18.246 19.000 -0.156 0.000 0.800 336 A HN 0.249 nan 8.150 nan 0.000 0.453 337 F N -0.932 119.155 119.950 0.229 0.000 2.693 337 F HA 0.377 4.904 4.527 0.001 0.000 0.303 337 F C 0.025 175.915 175.800 0.150 0.000 1.097 337 F CA 0.008 58.160 58.000 0.254 0.000 1.330 337 F CB 0.214 39.313 39.000 0.165 0.000 1.067 337 F HN -0.069 nan 8.300 nan 0.000 0.565 338 L N 2.293 123.607 121.223 0.152 0.000 2.319 338 L HA 0.337 4.677 4.340 0.001 0.000 0.281 338 L C -1.496 175.244 176.870 -0.216 0.000 1.005 338 L CA -1.888 52.901 54.840 -0.084 0.000 0.828 338 L CB 1.693 43.744 42.059 -0.013 0.000 1.227 338 L HN -0.266 nan 8.230 nan 0.000 0.415 339 P HA -0.197 nan 4.420 nan 0.000 0.218 339 P C 0.498 177.717 177.300 -0.135 0.000 1.146 339 P CA 1.308 64.146 63.100 -0.437 0.000 0.813 339 P CB 0.160 31.501 31.700 -0.598 0.000 0.778 340 D N -1.044 119.281 120.400 -0.125 0.000 2.323 340 D HA -0.046 4.594 4.640 0.001 0.000 0.209 340 D C 1.398 177.676 176.300 -0.036 0.000 0.973 340 D CA 0.610 54.574 54.000 -0.060 0.000 0.874 340 D CB -0.386 40.381 40.800 -0.055 0.000 0.930 340 D HN 0.142 nan 8.370 nan 0.000 0.521 341 K N -0.439 119.941 120.400 -0.034 0.000 2.436 341 K HA 0.450 4.770 4.320 0.001 0.000 0.198 341 K C 0.940 177.523 176.600 -0.028 0.000 1.174 341 K CA 0.255 56.528 56.287 -0.023 0.000 0.951 341 K CB 0.777 33.269 32.500 -0.013 0.000 1.040 341 K HN 0.377 nan 8.250 nan 0.000 0.536 342 A N 2.011 124.834 122.820 0.004 0.000 2.511 342 A HA 0.239 4.560 4.320 0.001 0.000 0.242 342 A C -0.229 177.302 177.584 -0.088 0.000 1.069 342 A CA 0.299 52.326 52.037 -0.017 0.000 0.763 342 A CB -0.000 19.136 19.000 0.227 0.000 1.001 342 A HN 0.256 nan 8.150 nan 0.000 0.498 343 D N 2.216 122.434 120.400 -0.303 0.000 2.462 343 D HA 0.409 5.050 4.640 0.001 0.000 0.249 343 D C -1.090 174.927 176.300 -0.472 0.000 1.117 343 D CA -0.100 53.741 54.000 -0.266 0.000 0.900 343 D CB 0.010 40.686 40.800 -0.208 0.000 1.039 343 D HN 0.352 nan 8.370 nan 0.000 0.516 344 F N 1.359 121.278 119.950 -0.053 0.000 2.923 344 F HA 0.064 4.592 4.527 0.001 0.000 0.314 344 F C 2.135 177.881 175.800 -0.089 0.000 1.196 344 F CA -0.349 57.596 58.000 -0.092 0.000 1.320 344 F CB 0.505 39.435 39.000 -0.116 0.000 0.953 344 F HN 0.218 nan 8.300 nan 0.000 0.505 345 S N -0.949 114.767 115.700 0.026 0.000 2.423 345 S HA -0.148 4.322 4.470 0.001 0.000 0.231 345 S C 1.843 176.435 174.600 -0.014 0.000 1.014 345 S CA 0.734 58.940 58.200 0.009 0.000 0.965 345 S CB -0.173 63.021 63.200 -0.010 0.000 0.785 345 S HN 0.418 nan 8.310 nan 0.000 0.495 346 K N 0.293 120.679 120.400 -0.024 0.000 2.288 346 K HA 0.178 4.499 4.320 0.001 0.000 0.201 346 K C 1.838 178.375 176.600 -0.104 0.000 1.048 346 K CA 0.620 56.895 56.287 -0.020 0.000 0.956 346 K CB -0.234 32.277 32.500 0.019 0.000 0.746 346 K HN 0.288 nan 8.250 nan 0.000 0.461 347 L N -0.570 120.530 121.223 -0.206 0.000 2.095 347 L HA 0.049 4.389 4.340 0.001 0.000 0.204 347 L C 0.811 177.566 176.870 -0.192 0.000 1.080 347 L CA 1.481 56.022 54.840 -0.499 0.000 0.759 347 L CB 0.275 42.108 42.059 -0.375 0.000 0.914 347 L HN 0.214 nan 8.230 nan 0.000 0.439 348 G N -2.624 106.149 108.800 -0.044 0.000 2.327 348 G HA2 0.421 4.382 3.960 0.001 0.000 0.291 348 G HA3 0.421 4.382 3.960 0.001 0.000 0.291 348 G C -1.690 173.215 174.900 0.009 0.000 1.290 348 G CA -0.307 44.739 45.100 -0.090 0.000 0.857 348 G HN 0.132 nan 8.290 nan 0.000 0.520 349 K N -1.202 119.129 120.400 -0.115 0.000 2.345 349 K HA 1.015 5.335 4.320 0.001 0.000 0.255 349 K C 0.036 176.703 176.600 0.112 0.000 0.934 349 K CA 0.434 56.719 56.287 -0.003 0.000 0.801 349 K CB 1.166 33.626 32.500 -0.066 0.000 1.137 349 K HN 2.274 nan 8.250 nan 0.000 0.424 350 S N -0.194 115.609 115.700 0.171 0.000 2.565 350 S HA 0.587 5.057 4.470 0.001 0.000 0.290 350 S C 1.053 175.706 174.600 0.088 0.000 1.150 350 S CA 0.203 58.508 58.200 0.176 0.000 1.058 350 S CB 0.626 63.911 63.200 0.142 0.000 1.032 350 S HN 0.980 nan 8.310 nan 0.000 0.510 351 D N 0.985 121.430 120.400 0.075 0.000 2.271 351 D HA 0.175 4.815 4.640 0.001 0.000 0.206 351 D C 1.553 177.879 176.300 0.043 0.000 0.967 351 D CA 1.086 55.113 54.000 0.046 0.000 0.867 351 D CB -0.404 40.418 40.800 0.037 0.000 0.960 351 D HN 0.630 nan 8.370 nan 0.000 0.509 352 I N -0.101 120.500 120.570 0.051 0.000 2.339 352 I HA 0.384 4.554 4.170 0.001 0.000 0.245 352 I C 1.606 177.752 176.117 0.048 0.000 1.096 352 I CA 1.000 62.327 61.300 0.045 0.000 1.408 352 I CB 0.403 38.429 38.000 0.045 0.000 1.092 352 I HN 0.390 nan 8.210 nan 0.000 0.423 353 G N -0.077 108.759 108.800 0.060 0.000 2.523 353 G HA2 0.098 4.058 3.960 0.001 0.000 0.291 353 G HA3 0.098 4.058 3.960 0.001 0.000 0.291 353 G C -1.475 173.476 174.900 0.086 0.000 1.450 353 G CA -0.668 44.472 45.100 0.066 0.000 0.790 353 G HN 0.037 nan 8.290 nan 0.000 0.496 354 N N -0.002 118.751 118.700 0.088 0.000 2.458 354 N HA 0.072 4.812 4.740 0.001 0.000 0.258 354 N C 0.040 175.660 175.510 0.183 0.000 1.219 354 N CA 0.082 53.198 53.050 0.110 0.000 0.902 354 N CB 0.372 38.908 38.487 0.082 0.000 1.076 354 N HN 0.339 nan 8.380 nan 0.000 0.455 355 L N 4.279 125.606 121.223 0.174 0.000 2.349 355 L HA 0.272 4.612 4.340 0.001 0.000 0.275 355 L C -0.198 176.851 176.870 0.299 0.000 1.115 355 L CA -0.522 54.407 54.840 0.148 0.000 0.820 355 L CB 0.306 42.387 42.059 0.037 0.000 1.135 355 L HN 0.616 nan 8.230 nan 0.000 0.445 356 Y N 0.726 121.014 120.300 -0.019 0.000 2.705 356 Y HA 0.632 5.182 4.550 0.001 0.000 0.332 356 Y C -0.916 174.858 175.900 -0.210 0.000 1.221 356 Y CA -1.432 56.670 58.100 0.004 0.000 1.059 356 Y CB 1.051 39.553 38.460 0.070 0.000 1.298 356 Y HN 0.231 nan 8.280 nan 0.000 0.459 357 I N 3.007 123.428 120.570 -0.248 0.000 2.301 357 I HA 0.146 4.316 4.170 0.001 0.000 0.292 357 I C 0.867 176.916 176.117 -0.113 0.000 1.046 357 I CA -0.028 61.051 61.300 -0.368 0.000 1.282 357 I CB 1.479 39.198 38.000 -0.468 0.000 1.409 357 I HN 0.872 nan 8.210 nan 0.000 0.484 358 S N 4.823 120.327 115.700 -0.326 0.000 2.371 358 S HA -0.048 4.422 4.470 0.001 0.000 0.224 358 S C 0.448 175.128 174.600 0.134 0.000 1.029 358 S CA 0.309 58.475 58.200 -0.057 0.000 0.978 358 S CB -0.213 62.877 63.200 -0.183 0.000 0.833 358 S HN 0.772 nan 8.310 nan 0.000 0.466 359 E N -0.372 119.876 120.200 0.079 0.000 2.352 359 E HA 0.609 4.959 4.350 0.001 0.000 0.280 359 E C -1.870 174.824 176.600 0.157 0.000 0.930 359 E CA -1.160 55.328 56.400 0.147 0.000 0.765 359 E CB 1.981 31.733 29.700 0.087 0.000 1.219 359 E HN -0.036 nan 8.360 nan 0.000 0.434 360 V N 3.098 123.148 119.914 0.227 0.000 2.311 360 V HA 0.284 4.405 4.120 0.001 0.000 0.275 360 V C -0.702 175.495 176.094 0.170 0.000 1.022 360 V CA -0.667 61.756 62.300 0.204 0.000 0.830 360 V CB 0.748 32.734 31.823 0.272 0.000 1.012 360 V HN 0.635 nan 8.190 nan 0.000 0.452 361 L N 4.723 126.041 121.223 0.158 0.000 2.325 361 L HA 0.589 4.929 4.340 0.001 0.000 0.279 361 L C -0.325 176.671 176.870 0.210 0.000 1.054 361 L CA 0.116 55.045 54.840 0.148 0.000 0.804 361 L CB 1.135 43.255 42.059 0.102 0.000 1.200 361 L HN 0.650 nan 8.230 nan 0.000 0.436 362 H N 4.818 123.937 119.070 0.082 0.000 2.924 362 H HA 0.392 4.949 4.556 0.001 0.000 0.333 362 H C -1.311 174.083 175.328 0.109 0.000 0.979 362 H CA -0.645 55.468 56.048 0.109 0.000 1.326 362 H CB 1.315 31.149 29.762 0.121 0.000 1.600 362 H HN 0.590 nan 8.280 nan 0.000 0.520 363 K N 3.287 123.626 120.400 -0.102 0.000 2.270 363 K HA 0.341 4.662 4.320 0.001 0.000 0.255 363 K C -0.620 175.986 176.600 0.009 0.000 0.936 363 K CA -0.729 55.564 56.287 0.009 0.000 0.809 363 K CB 2.196 34.719 32.500 0.039 0.000 1.131 363 K HN 0.674 nan 8.250 nan 0.000 0.427 364 T N -0.831 113.844 114.554 0.202 0.000 2.906 364 T HA 0.641 4.991 4.350 0.001 0.000 0.295 364 T C -1.052 173.862 174.700 0.357 0.000 1.061 364 T CA -0.816 61.467 62.100 0.305 0.000 1.000 364 T CB 1.124 70.249 68.868 0.427 0.000 1.103 364 T HN 0.449 nan 8.240 nan 0.000 0.486 365 F N 1.754 121.787 119.950 0.139 0.000 2.569 365 F HA 0.812 5.339 4.527 0.001 0.000 0.312 365 F C -1.611 174.147 175.800 -0.069 0.000 1.109 365 F CA -1.283 56.734 58.000 0.029 0.000 0.919 365 F CB 1.462 40.476 39.000 0.023 0.000 1.211 365 F HN 0.865 nan 8.300 nan 0.000 0.446 366 I N 3.928 123.893 120.570 -1.007 0.000 2.828 366 I HA 0.615 4.786 4.170 0.001 0.000 0.302 366 I C -1.522 173.954 176.117 -1.069 0.000 1.101 366 I CA -0.418 60.386 61.300 -0.826 0.000 1.031 366 I CB 2.160 39.919 38.000 -0.403 0.000 1.231 366 I HN 0.592 nan 8.210 nan 0.000 0.427 367 S N 5.232 120.553 115.700 -0.632 0.000 2.736 367 S HA 0.609 5.079 4.470 0.001 0.000 0.285 367 S C -1.567 172.797 174.600 -0.395 0.000 1.163 367 S CA -0.431 57.497 58.200 -0.455 0.000 1.025 367 S CB 1.329 64.400 63.200 -0.215 0.000 1.030 367 S HN 0.352 nan 8.310 nan 0.000 0.486 368 V N 5.709 125.291 119.914 -0.552 0.000 2.378 368 V HA 0.582 4.702 4.120 0.001 0.000 0.288 368 V C -0.583 175.318 176.094 -0.321 0.000 1.016 368 V CA -0.501 61.492 62.300 -0.512 0.000 0.840 368 V CB 1.471 32.729 31.823 -0.941 0.000 0.994 368 V HN 0.992 nan 8.190 nan 0.000 0.431 369 D N 2.708 123.051 120.400 -0.095 0.000 2.867 369 D HA 0.311 4.952 4.640 0.001 0.000 0.308 369 D C 0.922 177.359 176.300 0.229 0.000 1.202 369 D CA -0.555 53.439 54.000 -0.011 0.000 1.035 369 D CB 0.520 41.300 40.800 -0.034 0.000 1.427 369 D HN 0.277 nan 8.370 nan 0.000 0.570 370 E N -0.272 120.038 120.200 0.182 0.000 2.153 370 E HA -0.136 4.215 4.350 0.001 0.000 0.194 370 E C 1.903 178.786 176.600 0.471 0.000 0.988 370 E CA 0.763 57.374 56.400 0.352 0.000 0.811 370 E CB -0.353 29.464 29.700 0.195 0.000 0.746 370 E HN 0.398 nan 8.360 nan 0.000 0.466 371 L N 0.189 121.562 121.223 0.250 0.000 2.095 371 L HA 0.147 4.487 4.340 0.001 0.000 0.204 371 L C 1.154 178.024 176.870 -0.000 0.000 1.080 371 L CA 2.002 56.931 54.840 0.149 0.000 0.759 371 L CB -0.049 42.028 42.059 0.030 0.000 0.914 371 L HN 0.311 nan 8.230 nan 0.000 0.439 372 G N -2.561 106.078 108.800 -0.268 0.000 2.512 372 G HA2 0.252 4.213 3.960 0.001 0.000 0.181 372 G HA3 0.252 4.213 3.960 0.001 0.000 0.181 372 G C -1.218 173.301 174.900 -0.633 0.000 1.173 372 G CA 0.011 44.535 45.100 -0.960 0.000 0.988 372 G HN -0.052 nan 8.290 nan 0.000 0.485 373 T N 1.372 115.610 114.554 -0.527 0.000 2.848 373 T HA 0.638 4.988 4.350 0.001 0.000 0.285 373 T C -0.795 173.721 174.700 -0.306 0.000 0.995 373 T CA -0.562 61.359 62.100 -0.298 0.000 0.970 373 T CB 1.811 70.660 68.868 -0.030 0.000 0.976 373 T HN 0.452 nan 8.240 nan 0.000 0.441 374 K N 1.797 122.075 120.400 -0.203 0.000 2.323 374 K HA 0.789 5.109 4.320 0.001 0.000 0.259 374 K C -0.943 175.613 176.600 -0.074 0.000 0.947 374 K CA -0.782 55.420 56.287 -0.141 0.000 0.819 374 K CB 2.148 34.617 32.500 -0.051 0.000 1.109 374 K HN 0.694 nan 8.250 nan 0.000 0.429 375 A N 1.747 124.536 122.820 -0.051 0.000 2.449 375 A HA 0.810 5.130 4.320 0.001 0.000 0.302 375 A C -0.694 176.878 177.584 -0.020 0.000 1.048 375 A CA -0.695 51.197 52.037 -0.241 0.000 0.708 375 A CB 1.903 20.335 19.000 -0.947 0.000 1.274 375 A HN 0.732 nan 8.150 nan 0.000 0.410 376 G N -0.307 108.603 108.800 0.184 0.000 2.563 376 G HA2 0.844 4.804 3.960 0.001 0.000 0.302 376 G HA3 0.844 4.804 3.960 0.001 0.000 0.302 376 G C -0.748 174.431 174.900 0.465 0.000 1.301 376 G CA 0.004 45.305 45.100 0.335 0.000 0.965 376 G HN 1.823 nan 8.290 nan 0.000 0.480 377 A N 0.334 123.378 122.820 0.374 0.000 2.486 377 A HA 0.808 5.129 4.320 0.001 0.000 0.300 377 A C -1.302 176.326 177.584 0.074 0.000 1.048 377 A CA -0.542 51.605 52.037 0.183 0.000 0.696 377 A CB 2.068 21.110 19.000 0.070 0.000 1.278 377 A HN 1.267 nan 8.150 nan 0.000 0.405 378 V N 1.329 121.224 119.914 -0.032 0.000 2.656 378 V HA 0.705 4.825 4.120 0.001 0.000 0.307 378 V C -0.306 175.767 176.094 -0.034 0.000 1.051 378 V CA -0.410 61.910 62.300 0.033 0.000 0.893 378 V CB 2.192 34.062 31.823 0.078 0.000 0.999 378 V HN 0.954 nan 8.190 nan 0.000 0.426 379 T N 2.620 117.242 114.554 0.114 0.000 2.812 379 T HA 0.497 4.847 4.350 0.001 0.000 0.282 379 T C -0.434 174.377 174.700 0.186 0.000 0.990 379 T CA -0.478 61.743 62.100 0.202 0.000 0.960 379 T CB 1.557 70.618 68.868 0.321 0.000 0.948 379 T HN 0.597 nan 8.240 nan 0.000 0.438 380 S N 2.532 118.335 115.700 0.173 0.000 2.659 380 S HA 0.579 5.049 4.470 0.001 0.000 0.312 380 S C -0.530 174.162 174.600 0.153 0.000 1.114 380 S CA -0.585 57.715 58.200 0.166 0.000 1.063 380 S CB 0.459 63.745 63.200 0.143 0.000 0.996 380 S HN 0.494 nan 8.310 nan 0.000 0.478 381 V N 4.736 124.720 119.914 0.117 0.000 2.407 381 V HA 0.431 4.551 4.120 0.001 0.000 0.278 381 V C -0.177 175.857 176.094 -0.100 0.000 1.037 381 V CA -0.712 61.600 62.300 0.020 0.000 0.900 381 V CB 1.547 33.358 31.823 -0.020 0.000 0.983 381 V HN 0.820 nan 8.190 nan 0.000 0.459 382 D N 4.567 124.841 120.400 -0.211 0.000 2.344 382 D HA 0.424 5.065 4.640 0.001 0.000 0.239 382 D C -0.743 175.249 176.300 -0.513 0.000 1.064 382 D CA -0.424 53.270 54.000 -0.509 0.000 0.829 382 D CB 1.192 41.756 40.800 -0.393 0.000 1.129 382 D HN 0.221 nan 8.370 nan 0.000 0.506 383 I N 3.523 123.736 120.570 -0.595 0.000 2.339 383 I HA 0.327 4.497 4.170 0.001 0.000 0.290 383 I C 0.404 176.200 176.117 -0.535 0.000 0.994 383 I CA -0.462 60.485 61.300 -0.588 0.000 1.191 383 I CB 0.958 38.612 38.000 -0.577 0.000 1.343 383 I HN 0.287 nan 8.210 nan 0.000 0.458 384 T N 3.312 117.511 114.554 -0.592 0.000 2.930 384 T HA 0.645 4.995 4.350 0.001 0.000 0.290 384 T C 0.700 175.249 174.700 -0.252 0.000 1.052 384 T CA -0.546 61.292 62.100 -0.437 0.000 1.017 384 T CB 2.391 70.970 68.868 -0.482 0.000 1.137 384 T HN 0.604 nan 8.240 nan 0.000 0.511 385 A N -0.162 122.613 122.820 -0.074 0.000 2.288 385 A HA 0.785 5.106 4.320 0.001 0.000 0.216 385 A C 0.859 178.533 177.584 0.149 0.000 1.199 385 A CA 0.351 52.423 52.037 0.058 0.000 0.891 385 A CB -0.061 18.955 19.000 0.027 0.000 0.923 385 A HN 1.096 nan 8.150 nan 0.000 0.500 386 A N -2.015 120.905 122.820 0.167 0.000 2.530 386 A HA 0.776 5.096 4.320 0.001 0.000 0.288 386 A C 0.575 178.303 177.584 0.240 0.000 1.172 386 A CA -0.094 52.047 52.037 0.173 0.000 0.733 386 A CB 0.190 19.245 19.000 0.091 0.000 1.320 386 A HN 2.040 nan 8.150 nan 0.000 0.419 387 G N -1.337 107.556 108.800 0.155 0.000 2.741 387 G HA2 0.313 4.274 3.960 0.001 0.000 0.222 387 G HA3 0.313 4.274 3.960 0.001 0.000 0.222 387 G C -0.651 174.331 174.900 0.135 0.000 1.364 387 G CA 0.262 45.447 45.100 0.141 0.000 0.866 387 G HN 2.277 nan 8.290 nan 0.000 0.555 388 I N 0.527 121.165 120.570 0.113 0.000 2.680 388 I HA 0.611 4.782 4.170 0.001 0.000 0.291 388 I C -2.281 173.898 176.117 0.103 0.000 1.244 388 I CA -1.755 59.575 61.300 0.050 0.000 1.042 388 I CB 2.111 40.094 38.000 -0.028 0.000 1.277 388 I HN 0.644 nan 8.210 nan 0.000 0.423 389 P HA 0.353 nan 4.420 nan 0.000 0.274 389 P C -1.287 176.058 177.300 0.075 0.000 1.231 389 P CA -0.356 62.820 63.100 0.128 0.000 0.790 389 P CB 0.751 32.556 31.700 0.175 0.000 0.951 390 V N 3.047 122.999 119.914 0.063 0.000 2.364 390 V HA 0.181 4.302 4.120 0.001 0.000 0.272 390 V C 0.458 176.600 176.094 0.080 0.000 1.036 390 V CA -0.834 61.501 62.300 0.060 0.000 0.880 390 V CB 0.504 32.355 31.823 0.047 0.000 0.991 390 V HN 0.506 nan 8.190 nan 0.000 0.460 391 N N 3.647 122.393 118.700 0.076 0.000 2.492 391 N HA 0.381 5.121 4.740 0.001 0.000 0.262 391 N C -0.927 174.687 175.510 0.173 0.000 1.202 391 N CA 0.260 53.356 53.050 0.077 0.000 0.926 391 N CB 1.158 39.661 38.487 0.027 0.000 1.078 391 N HN 0.665 nan 8.380 nan 0.000 0.454 392 F N 1.393 121.322 119.950 -0.035 0.000 2.651 392 F HA 0.307 4.834 4.527 0.001 0.000 0.329 392 F C -1.194 174.584 175.800 -0.036 0.000 1.186 392 F CA -0.721 57.262 58.000 -0.029 0.000 1.046 392 F CB 1.154 40.142 39.000 -0.020 0.000 1.296 392 F HN 0.200 nan 8.300 nan 0.000 0.497 393 K N 4.081 124.175 120.400 -0.510 0.000 2.422 393 K HA 0.685 5.005 4.320 0.001 0.000 0.251 393 K C -1.287 175.021 176.600 -0.487 0.000 0.933 393 K CA -1.035 55.044 56.287 -0.347 0.000 0.798 393 K CB 2.613 34.988 32.500 -0.208 0.000 1.238 393 K HN 0.523 nan 8.250 nan 0.000 0.428 394 T N 0.308 114.709 114.554 -0.256 0.000 2.856 394 T HA 0.399 4.750 4.350 0.001 0.000 0.283 394 T C -0.046 174.586 174.700 -0.112 0.000 1.008 394 T CA -0.807 61.185 62.100 -0.179 0.000 0.997 394 T CB 1.591 70.424 68.868 -0.059 0.000 0.992 394 T HN 0.525 nan 8.240 nan 0.000 0.454 395 V N 3.309 123.164 119.914 -0.099 0.000 2.470 395 V HA 0.452 4.572 4.120 0.001 0.000 0.276 395 V C 0.388 176.447 176.094 -0.058 0.000 1.040 395 V CA -0.027 62.226 62.300 -0.077 0.000 1.008 395 V CB 0.097 31.878 31.823 -0.069 0.000 0.990 395 V HN 0.607 nan 8.190 nan 0.000 0.477 396 K N 6.048 126.411 120.400 -0.062 0.000 2.281 396 K HA 0.673 4.994 4.320 0.001 0.000 0.272 396 K C -0.366 176.198 176.600 -0.059 0.000 1.048 396 K CA -0.179 56.075 56.287 -0.056 0.000 0.898 396 K CB 1.396 33.857 32.500 -0.066 0.000 1.128 396 K HN 0.903 nan 8.250 nan 0.000 0.460 397 L N 0.989 122.184 121.223 -0.046 0.000 2.828 397 L HA 0.366 4.707 4.340 0.001 0.000 0.233 397 L C 0.392 177.240 176.870 -0.037 0.000 1.250 397 L CA -0.508 54.308 54.840 -0.040 0.000 1.125 397 L CB -0.786 41.255 42.059 -0.030 0.000 1.432 397 L HN 0.717 nan 8.230 nan 0.000 0.444 398 N N -0.040 118.631 118.700 -0.048 0.000 2.407 398 N HA 0.782 5.522 4.740 0.001 0.000 0.277 398 N C 0.152 175.641 175.510 -0.035 0.000 0.995 398 N CA 0.011 53.035 53.050 -0.042 0.000 0.903 398 N CB 1.287 39.741 38.487 -0.056 0.000 1.218 398 N HN 1.209 nan 8.380 nan 0.000 0.487 399 R N 2.031 122.527 120.500 -0.005 0.000 2.664 399 R HA 0.651 4.992 4.340 0.001 0.000 0.281 399 R C -2.640 173.688 176.300 0.046 0.000 1.383 399 R CA -1.152 54.962 56.100 0.023 0.000 1.563 399 R CB -0.677 29.644 30.300 0.035 0.000 1.131 399 R HN 0.726 nan 8.270 nan 0.000 0.599 400 P HA 0.491 nan 4.420 nan 0.000 0.304 400 P C -0.718 176.670 177.300 0.147 0.000 1.310 400 P CA -1.261 61.892 63.100 0.087 0.000 0.796 400 P CB 0.513 32.247 31.700 0.057 0.000 1.297 401 F N 0.682 120.662 119.950 0.049 0.000 2.543 401 F HA 0.303 4.831 4.527 0.001 0.000 0.375 401 F C -0.168 175.703 175.800 0.118 0.000 1.075 401 F CA 0.010 58.062 58.000 0.086 0.000 1.225 401 F CB -0.249 38.806 39.000 0.092 0.000 1.099 401 F HN 0.006 nan 8.300 nan 0.000 0.561 402 I N 7.819 128.061 120.570 -0.547 0.000 2.460 402 I HA 0.412 4.582 4.170 0.001 0.000 0.298 402 I C -0.692 175.026 176.117 -0.665 0.000 0.989 402 I CA -0.866 60.180 61.300 -0.424 0.000 1.173 402 I CB 1.410 39.316 38.000 -0.156 0.000 1.338 402 I HN 0.591 nan 8.210 nan 0.000 0.456 403 F N 3.543 123.223 119.950 -0.450 0.000 2.613 403 F HA 0.967 5.495 4.527 0.001 0.000 0.314 403 F C -0.982 174.582 175.800 -0.394 0.000 1.075 403 F CA -1.059 56.667 58.000 -0.457 0.000 0.945 403 F CB 1.590 40.491 39.000 -0.166 0.000 1.310 403 F HN 0.476 nan 8.300 nan 0.000 0.467 404 A N 2.296 124.941 122.820 -0.292 0.000 2.520 404 A HA 0.751 5.071 4.320 0.001 0.000 0.298 404 A C -1.656 175.869 177.584 -0.098 0.000 1.051 404 A CA -0.710 51.227 52.037 -0.167 0.000 0.690 404 A CB 1.231 20.199 19.000 -0.053 0.000 1.281 404 A HN 0.819 nan 8.150 nan 0.000 0.402 405 I N 3.397 124.009 120.570 0.070 0.000 2.312 405 I HA 0.384 4.554 4.170 0.001 0.000 0.290 405 I C -0.069 176.121 176.117 0.121 0.000 1.008 405 I CA -0.281 61.077 61.300 0.097 0.000 1.226 405 I CB 0.821 38.729 38.000 -0.154 0.000 1.371 405 I HN 0.644 nan 8.210 nan 0.000 0.468 406 I N 1.819 122.520 120.570 0.219 0.000 2.707 406 I HA 0.579 4.749 4.170 0.001 0.000 0.309 406 I C -0.367 175.970 176.117 0.368 0.000 1.001 406 I CA -0.827 60.624 61.300 0.253 0.000 1.129 406 I CB 1.542 39.672 38.000 0.218 0.000 1.308 406 I HN 0.323 nan 8.210 nan 0.000 0.466 407 D N 2.861 123.458 120.400 0.328 0.000 2.295 407 D HA 0.155 4.796 4.640 0.001 0.000 0.248 407 D C 0.488 176.876 176.300 0.145 0.000 1.154 407 D CA -0.041 54.117 54.000 0.264 0.000 0.857 407 D CB 0.895 41.877 40.800 0.303 0.000 1.117 407 D HN 0.542 nan 8.370 nan 0.000 0.468 408 N N 1.423 120.156 118.700 0.055 0.000 2.309 408 N HA -0.150 4.590 4.740 0.001 0.000 0.182 408 N C 1.438 176.981 175.510 0.055 0.000 1.018 408 N CA 0.969 54.055 53.050 0.060 0.000 0.876 408 N CB -0.009 38.501 38.487 0.038 0.000 0.972 408 N HN 0.498 nan 8.380 nan 0.000 0.434 409 S N -1.535 114.199 115.700 0.057 0.000 2.548 409 S HA 0.055 4.525 4.470 0.001 0.000 0.215 409 S C 1.446 176.100 174.600 0.089 0.000 0.976 409 S CA 0.906 59.146 58.200 0.067 0.000 0.908 409 S CB -0.015 63.223 63.200 0.062 0.000 0.781 409 S HN 0.374 nan 8.310 nan 0.000 0.519 410 T N -2.723 111.899 114.554 0.114 0.000 2.966 410 T HA 0.299 4.649 4.350 0.001 0.000 0.254 410 T C 0.512 175.243 174.700 0.050 0.000 0.961 410 T CA 0.279 62.438 62.100 0.099 0.000 0.915 410 T CB -0.222 68.758 68.868 0.187 0.000 1.186 410 T HN 0.246 nan 8.240 nan 0.000 0.505 411 N N 0.675 119.426 118.700 0.085 0.000 2.909 411 N HA -0.104 4.637 4.740 0.001 0.000 0.242 411 N C -0.480 175.130 175.510 0.166 0.000 0.975 411 N CA 0.431 53.532 53.050 0.085 0.000 0.921 411 N CB -1.916 36.573 38.487 0.003 0.000 1.112 411 N HN 0.536 nan 8.380 nan 0.000 0.581 412 L N 2.022 123.339 121.223 0.157 0.000 2.416 412 L HA 0.215 4.555 4.340 0.001 0.000 0.272 412 L C -1.589 175.377 176.870 0.159 0.000 1.161 412 L CA -1.167 53.755 54.840 0.136 0.000 0.845 412 L CB 0.481 42.606 42.059 0.110 0.000 1.119 412 L HN -0.137 nan 8.230 nan 0.000 0.464 413 P HA 0.071 nan 4.420 nan 0.000 0.279 413 P C 0.662 177.946 177.300 -0.026 0.000 1.318 413 P CA -0.334 62.752 63.100 -0.023 0.000 0.819 413 P CB 0.648 32.158 31.700 -0.316 0.000 0.927 414 I N 2.172 122.775 120.570 0.056 0.000 2.286 414 I HA -0.085 4.086 4.170 0.001 0.000 0.248 414 I C 0.941 176.922 176.117 -0.228 0.000 1.115 414 I CA 1.410 62.707 61.300 -0.005 0.000 1.392 414 I CB -1.044 36.997 38.000 0.068 0.000 1.065 414 I HN 0.170 nan 8.210 nan 0.000 0.418 415 F N -0.570 119.332 119.950 -0.080 0.000 2.588 415 F HA 0.644 5.171 4.527 0.001 0.000 0.310 415 F C -0.264 175.419 175.800 -0.195 0.000 1.082 415 F CA -0.860 57.099 58.000 -0.069 0.000 0.929 415 F CB 2.690 41.688 39.000 -0.004 0.000 1.254 415 F HN -0.316 nan 8.300 nan 0.000 0.455 416 I N 1.589 122.081 120.570 -0.130 0.000 2.649 416 I HA 0.772 4.943 4.170 0.001 0.000 0.289 416 I C -0.951 174.796 176.117 -0.617 0.000 1.222 416 I CA 0.131 61.093 61.300 -0.565 0.000 1.046 416 I CB 1.631 39.096 38.000 -0.891 0.000 1.272 416 I HN 0.666 nan 8.210 nan 0.000 0.425 417 G N 3.369 111.537 108.800 -1.053 0.000 2.663 417 G HA2 0.689 4.649 3.960 0.001 0.000 0.299 417 G HA3 0.689 4.649 3.960 0.001 0.000 0.299 417 G C -1.352 173.141 174.900 -0.680 0.000 1.372 417 G CA -0.213 44.441 45.100 -0.744 0.000 0.781 417 G HN 0.598 nan 8.290 nan 0.000 0.491 418 T N -2.534 111.923 114.554 -0.162 0.000 2.876 418 T HA 0.685 5.035 4.350 0.001 0.000 0.289 418 T C -1.075 173.710 174.700 0.142 0.000 1.014 418 T CA -0.710 61.412 62.100 0.036 0.000 0.986 418 T CB 1.859 70.729 68.868 0.003 0.000 1.021 418 T HN 0.745 nan 8.240 nan 0.000 0.458 419 V N 3.915 123.977 119.914 0.247 0.000 2.409 419 V HA 0.432 4.553 4.120 0.001 0.000 0.291 419 V C 0.228 176.351 176.094 0.048 0.000 1.020 419 V CA -0.896 61.434 62.300 0.050 0.000 0.848 419 V CB 1.156 32.939 31.823 -0.066 0.000 0.990 419 V HN 0.863 nan 8.190 nan 0.000 0.430 420 L N 2.891 124.090 121.223 -0.040 0.000 2.490 420 L HA 0.389 4.730 4.340 0.001 0.000 0.245 420 L C 1.594 178.448 176.870 -0.028 0.000 1.185 420 L CA 0.104 54.931 54.840 -0.022 0.000 0.813 420 L CB 0.831 42.860 42.059 -0.050 0.000 1.233 420 L HN 0.843 nan 8.230 nan 0.000 0.489 421 S N -0.932 114.762 115.700 -0.010 0.000 2.608 421 S HA -0.178 4.293 4.470 0.001 0.000 0.256 421 S C 0.007 174.553 174.600 -0.089 0.000 1.270 421 S CA 0.789 58.979 58.200 -0.017 0.000 1.465 421 S CB -1.169 62.063 63.200 0.053 0.000 1.833 421 S HN 0.400 nan 8.310 nan 0.000 0.641 422 L N 2.035 123.217 121.223 -0.069 0.000 2.281 422 L HA 0.360 4.700 4.340 0.001 0.000 0.285 422 L C 0.635 177.523 176.870 0.031 0.000 1.074 422 L CA 0.023 54.837 54.840 -0.042 0.000 0.817 422 L CB 0.638 42.659 42.059 -0.064 0.000 1.168 422 L HN 0.105 nan 8.230 nan 0.000 0.434 423 K N 0.000 120.413 120.400 0.021 0.000 2.780 423 K HA 0.000 4.320 4.320 0.001 0.000 0.191 423 K CA 0.000 56.309 56.287 0.036 0.000 0.838 423 K CB 0.000 32.515 32.500 0.024 0.000 1.064 423 K HN 0.000 nan 8.250 nan 0.000 0.543