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 3gok_1_E DATA FIRST_RESID 46 DATA SEQUENCE FHVKSGLQIK KNAIIDDYKV TSQVLGLGIN GKVLQIFNKR TQEKFALKML DATA SEQUENCE QDCPKARREV ELHWRASQCP HIVRIVDVYE NLYAGRKCLL IVMECLDGGE DATA SEQUENCE LFSRIQDRGD QAFTEREASE IMKSIGEAIQ YLHSINIAHR DVKPENLLYT DATA SEQUENCE SKRPNAILKL TDFGFAKETT XXXXXXXXXX XPYYVAPEVL GPEKYDKSCD DATA SEQUENCE MWSLGVIMYI LLCGYPPFYS NXXXXISPGM KTRIRMGQYE FPNPEWSEVS DATA SEQUENCE EEVKMLIRNL LKTEPTQRMT ITEFMNHPWI MQSTKVPQTP LHTSRVLKED DATA SEQUENCE KERWE 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 46 F HA 0.000 nan 4.527 nan 0.000 0.279 46 F C 0.000 175.922 175.800 0.203 0.000 0.967 46 F CA 0.000 58.084 58.000 0.140 0.000 1.383 46 F CB 0.000 39.044 39.000 0.074 0.000 1.145 47 H N 3.793 122.811 119.070 -0.086 0.000 2.724 47 H HA 0.584 5.107 4.556 -0.054 0.000 0.278 47 H C -0.409 174.887 175.328 -0.053 0.000 1.159 47 H CA -0.509 55.528 56.048 -0.019 0.000 1.254 47 H CB 0.837 30.578 29.762 -0.036 0.000 1.412 47 H HN 0.311 nan 8.280 nan 0.000 0.488 48 V N 0.702 120.702 119.914 0.144 0.000 2.630 48 V HA 0.601 4.688 4.120 -0.056 0.000 0.305 48 V C -0.106 176.046 176.094 0.097 0.000 1.046 48 V CA -0.982 61.386 62.300 0.113 0.000 0.934 48 V CB 2.157 34.080 31.823 0.167 0.000 1.003 48 V HN 0.329 nan 8.190 nan 0.000 0.451 49 K N 2.373 122.826 120.400 0.088 0.000 2.267 49 K HA 0.537 4.824 4.320 -0.056 0.000 0.246 49 K C 0.105 176.782 176.600 0.127 0.000 0.954 49 K CA -0.281 56.053 56.287 0.079 0.000 0.824 49 K CB 2.112 34.633 32.500 0.036 0.000 1.167 49 K HN 1.062 nan 8.250 nan 0.000 0.431 50 S N -0.076 115.717 115.700 0.155 0.000 2.579 50 S HA 0.359 4.796 4.470 -0.056 0.000 0.275 50 S C 0.672 175.487 174.600 0.358 0.000 1.345 50 S CA -0.469 57.853 58.200 0.203 0.000 1.031 50 S CB 0.897 64.201 63.200 0.173 0.000 0.892 50 S HN 0.624 nan 8.310 nan 0.000 0.529 51 G N 0.308 109.259 108.800 0.253 0.000 2.535 51 G HA2 0.479 4.405 3.960 -0.056 0.000 0.282 51 G HA3 0.479 4.405 3.960 -0.056 0.000 0.282 51 G C -0.780 174.089 174.900 -0.051 0.000 1.350 51 G CA -0.920 44.332 45.100 0.253 0.000 1.039 51 G HN 0.788 nan 8.290 nan 0.000 0.509 52 L N -0.303 120.621 121.223 -0.498 0.000 2.260 52 L HA 0.473 4.780 4.340 -0.056 0.000 0.289 52 L C -0.032 176.525 176.870 -0.521 0.000 1.057 52 L CA -0.567 53.669 54.840 -1.008 0.000 0.811 52 L CB 1.369 42.633 42.059 -1.323 0.000 1.184 52 L HN 0.432 nan 8.230 nan 0.000 0.429 53 Q N 5.318 124.845 119.800 -0.455 0.000 2.368 53 Q HA 0.413 4.719 4.340 -0.056 0.000 0.256 53 Q C -1.041 174.765 176.000 -0.322 0.000 0.980 53 Q CA -0.228 55.397 55.803 -0.296 0.000 0.887 53 Q CB 0.625 29.237 28.738 -0.210 0.000 1.221 53 Q HN 0.632 nan 8.270 nan 0.000 0.458 54 I N 4.433 124.838 120.570 -0.274 0.000 2.379 54 I HA 0.138 4.275 4.170 -0.056 0.000 0.290 54 I C 0.413 176.382 176.117 -0.247 0.000 1.063 54 I CA -0.277 60.865 61.300 -0.264 0.000 1.351 54 I CB 0.497 38.382 38.000 -0.191 0.000 1.410 54 I HN 0.504 nan 8.210 nan 0.000 0.505 55 K N 6.286 126.468 120.400 -0.363 0.000 2.350 55 K HA 0.112 4.398 4.320 -0.056 0.000 0.279 55 K C 0.742 177.247 176.600 -0.158 0.000 1.027 55 K CA -0.353 55.725 56.287 -0.348 0.000 0.969 55 K CB 1.392 33.452 32.500 -0.734 0.000 0.954 55 K HN 0.404 nan 8.250 nan 0.000 0.474 56 K N 1.370 121.738 120.400 -0.053 0.000 2.367 56 K HA 0.005 4.291 4.320 -0.056 0.000 0.195 56 K C 0.574 177.222 176.600 0.080 0.000 1.060 56 K CA 0.188 56.485 56.287 0.016 0.000 1.022 56 K CB 0.048 32.544 32.500 -0.006 0.000 0.894 56 K HN 0.728 nan 8.250 nan 0.000 0.540 57 N N 1.579 120.342 118.700 0.105 0.000 2.415 57 N HA 0.020 4.726 4.740 -0.056 0.000 0.248 57 N C -0.206 175.410 175.510 0.176 0.000 1.271 57 N CA 0.033 53.157 53.050 0.124 0.000 0.913 57 N CB 0.714 39.268 38.487 0.111 0.000 1.129 57 N HN -0.123 nan 8.380 nan 0.000 0.444 58 A N 1.447 124.324 122.820 0.094 0.000 2.540 58 A HA 0.054 4.341 4.320 -0.056 0.000 0.239 58 A C 1.502 179.070 177.584 -0.026 0.000 1.061 58 A CA -0.483 51.580 52.037 0.043 0.000 0.758 58 A CB -0.290 18.724 19.000 0.023 0.000 0.991 58 A HN 0.866 nan 8.150 nan 0.000 0.502 59 I N 2.588 123.050 120.570 -0.180 0.000 2.394 59 I HA -0.200 3.936 4.170 -0.056 0.000 0.251 59 I C 1.927 177.938 176.117 -0.176 0.000 1.136 59 I CA 1.718 62.734 61.300 -0.473 0.000 1.425 59 I CB -0.078 37.518 38.000 -0.672 0.000 1.079 59 I HN 0.828 nan 8.210 nan 0.000 0.425 60 I N -2.175 118.343 120.570 -0.087 0.000 3.083 60 I HA -0.165 3.971 4.170 -0.056 0.000 0.273 60 I C 1.364 177.474 176.117 -0.011 0.000 1.297 60 I CA 0.938 62.224 61.300 -0.023 0.000 1.452 60 I CB -0.728 37.266 38.000 -0.010 0.000 1.078 60 I HN 0.084 nan 8.210 nan 0.000 0.484 61 D N 1.911 122.300 120.400 -0.017 0.000 2.144 61 D HA -0.132 4.475 4.640 -0.056 0.000 0.200 61 D C 1.583 177.858 176.300 -0.043 0.000 0.978 61 D CA 1.265 55.258 54.000 -0.011 0.000 0.833 61 D CB -0.062 40.745 40.800 0.012 0.000 0.961 61 D HN 0.506 nan 8.370 nan 0.000 0.470 62 D N -1.712 118.642 120.400 -0.077 0.000 2.422 62 D HA 0.038 4.644 4.640 -0.056 0.000 0.218 62 D C -0.060 175.980 176.300 -0.433 0.000 1.047 62 D CA 0.274 54.126 54.000 -0.247 0.000 0.885 62 D CB 0.702 41.354 40.800 -0.247 0.000 1.035 62 D HN 0.219 nan 8.370 nan 0.000 0.502 63 Y N 0.325 120.590 120.300 -0.060 0.000 2.512 63 Y HA 0.348 4.865 4.550 -0.055 0.000 0.348 63 Y C 0.119 176.026 175.900 0.012 0.000 0.990 63 Y CA -1.162 56.927 58.100 -0.018 0.000 1.033 63 Y CB 1.896 40.308 38.460 -0.081 0.000 1.259 63 Y HN -0.447 nan 8.280 nan 0.000 0.461 64 K N 1.655 122.209 120.400 0.256 0.000 2.234 64 K HA 0.595 4.881 4.320 -0.056 0.000 0.277 64 K C -1.607 175.122 176.600 0.214 0.000 1.038 64 K CA -0.397 56.015 56.287 0.208 0.000 0.888 64 K CB 0.697 33.336 32.500 0.232 0.000 1.091 64 K HN 0.517 nan 8.250 nan 0.000 0.467 65 V N 5.367 125.352 119.914 0.118 0.000 2.304 65 V HA 0.123 4.210 4.120 -0.056 0.000 0.269 65 V C 0.578 176.716 176.094 0.074 0.000 1.036 65 V CA -0.686 61.648 62.300 0.058 0.000 0.840 65 V CB 0.521 32.333 31.823 -0.019 0.000 1.036 65 V HN 1.007 nan 8.190 nan 0.000 0.466 66 T N 1.633 116.250 114.554 0.104 0.000 2.754 66 T HA 0.215 4.532 4.350 -0.056 0.000 0.286 66 T C 0.912 175.638 174.700 0.044 0.000 0.997 66 T CA 0.138 62.301 62.100 0.105 0.000 0.982 66 T CB 1.349 70.324 68.868 0.178 0.000 1.027 66 T HN 0.730 nan 8.240 nan 0.000 0.529 67 S N -0.837 114.890 115.700 0.046 0.000 2.664 67 S HA 0.190 4.626 4.470 -0.056 0.000 0.245 67 S C 0.339 174.956 174.600 0.029 0.000 1.019 67 S CA -0.695 57.521 58.200 0.026 0.000 0.996 67 S CB -0.392 62.825 63.200 0.028 0.000 0.878 67 S HN 0.837 nan 8.310 nan 0.000 0.493 68 Q N 2.046 121.867 119.800 0.035 0.000 2.286 68 Q HA 0.272 4.579 4.340 -0.056 0.000 0.265 68 Q C -0.827 175.181 176.000 0.015 0.000 1.080 68 Q CA -0.222 55.600 55.803 0.032 0.000 0.906 68 Q CB 0.683 29.449 28.738 0.046 0.000 1.227 68 Q HN 0.339 nan 8.270 nan 0.000 0.409 69 V N 6.933 126.858 119.914 0.019 0.000 2.521 69 V HA -0.043 4.043 4.120 -0.056 0.000 0.286 69 V C 1.066 177.170 176.094 0.017 0.000 1.034 69 V CA 0.447 62.756 62.300 0.016 0.000 1.045 69 V CB 0.852 32.688 31.823 0.023 0.000 0.974 69 V HN 0.877 nan 8.190 nan 0.000 0.480 70 L N 4.300 125.529 121.223 0.011 0.000 2.616 70 L HA 0.512 4.818 4.340 -0.056 0.000 0.229 70 L C 0.905 177.792 176.870 0.028 0.000 1.110 70 L CA 0.555 55.404 54.840 0.016 0.000 0.884 70 L CB 0.354 42.414 42.059 0.002 0.000 1.115 70 L HN 0.856 nan 8.230 nan 0.000 0.481 71 G N -0.141 108.678 108.800 0.031 0.000 2.361 71 G HA2 0.363 4.290 3.960 -0.056 0.000 0.299 71 G HA3 0.363 4.290 3.960 -0.056 0.000 0.299 71 G C -2.090 172.833 174.900 0.040 0.000 1.544 71 G CA -0.742 44.382 45.100 0.039 0.000 0.860 71 G HN -0.175 nan 8.290 nan 0.000 0.610 72 L N 1.726 122.975 121.223 0.043 0.000 2.276 72 L HA 0.653 4.959 4.340 -0.056 0.000 0.286 72 L C 1.142 178.047 176.870 0.057 0.000 1.024 72 L CA 0.072 54.939 54.840 0.046 0.000 0.826 72 L CB 1.464 43.548 42.059 0.040 0.000 1.211 72 L HN 0.864 nan 8.230 nan 0.000 0.422 73 G N 1.967 110.807 108.800 0.066 0.000 2.547 73 G HA2 0.339 4.265 3.960 -0.056 0.000 0.291 73 G HA3 0.339 4.265 3.960 -0.056 0.000 0.291 73 G C 0.990 175.948 174.900 0.097 0.000 1.211 73 G CA -0.266 44.887 45.100 0.088 0.000 0.950 73 G HN 0.757 nan 8.290 nan 0.000 0.504 74 I N -1.714 118.935 120.570 0.132 0.000 2.394 74 I HA 0.005 4.141 4.170 -0.056 0.000 0.251 74 I C 0.869 177.048 176.117 0.105 0.000 1.136 74 I CA 1.212 62.613 61.300 0.168 0.000 1.425 74 I CB -0.201 38.002 38.000 0.338 0.000 1.079 74 I HN 0.540 nan 8.210 nan 0.000 0.425 75 N N 0.425 119.171 118.700 0.077 0.000 2.733 75 N HA 0.542 5.249 4.740 -0.056 0.000 0.271 75 N C -0.157 175.382 175.510 0.048 0.000 1.720 75 N CA -0.193 52.885 53.050 0.047 0.000 0.803 75 N CB 0.926 39.424 38.487 0.018 0.000 1.208 75 N HN 0.513 nan 8.380 nan 0.000 0.498 76 G N 1.736 110.566 108.800 0.050 0.000 2.627 76 G HA2 -0.127 3.800 3.960 -0.056 0.000 0.680 76 G HA3 -0.127 3.800 3.960 -0.056 0.000 0.680 76 G C -1.042 173.884 174.900 0.043 0.000 1.341 76 G CA -1.180 43.945 45.100 0.042 0.000 0.835 76 G HN 0.516 nan 8.290 nan 0.000 0.643 77 K N -0.176 120.244 120.400 0.032 0.000 2.107 77 K HA 0.753 5.040 4.320 -0.056 0.000 0.251 77 K C -0.216 176.395 176.600 0.017 0.000 1.012 77 K CA -0.873 55.432 56.287 0.029 0.000 0.920 77 K CB 1.682 34.196 32.500 0.025 0.000 1.033 77 K HN 0.448 nan 8.250 nan 0.000 0.478 78 V N 2.507 122.432 119.914 0.018 0.000 2.417 78 V HA 0.337 4.423 4.120 -0.056 0.000 0.291 78 V C -0.288 175.801 176.094 -0.009 0.000 1.024 78 V CA -0.860 61.444 62.300 0.008 0.000 0.861 78 V CB 0.943 32.782 31.823 0.026 0.000 0.985 78 V HN 0.587 nan 8.190 nan 0.000 0.436 79 L N 3.236 124.438 121.223 -0.034 0.000 2.330 79 L HA 0.625 4.932 4.340 -0.056 0.000 0.271 79 L C -0.223 176.602 176.870 -0.076 0.000 1.013 79 L CA -0.859 53.954 54.840 -0.046 0.000 0.816 79 L CB 1.826 43.853 42.059 -0.054 0.000 1.287 79 L HN 0.573 nan 8.230 nan 0.000 0.435 80 Q N 2.735 122.482 119.800 -0.089 0.000 2.286 80 Q HA 0.603 4.910 4.340 -0.056 0.000 0.257 80 Q C -0.970 174.881 176.000 -0.248 0.000 0.941 80 Q CA -0.041 55.653 55.803 -0.182 0.000 0.912 80 Q CB 1.037 29.675 28.738 -0.168 0.000 1.192 80 Q HN 0.494 nan 8.270 nan 0.000 0.410 81 I N -0.626 119.735 120.570 -0.349 0.000 3.074 81 I HA 0.698 4.834 4.170 -0.056 0.000 0.310 81 I C -1.366 174.519 176.117 -0.386 0.000 1.153 81 I CA -1.276 59.873 61.300 -0.252 0.000 0.993 81 I CB 1.926 39.861 38.000 -0.108 0.000 1.237 81 I HN 0.453 nan 8.210 nan 0.000 0.443 82 F N 1.295 121.389 119.950 0.240 0.000 2.540 82 F HA 0.408 4.902 4.527 -0.055 0.000 0.317 82 F C 0.164 176.177 175.800 0.356 0.000 1.104 82 F CA -0.580 57.585 58.000 0.275 0.000 0.913 82 F CB 1.758 40.843 39.000 0.142 0.000 1.170 82 F HN 0.549 nan 8.300 nan 0.000 0.450 83 N N 2.798 121.843 118.700 0.575 0.000 2.438 83 N HA 0.022 4.729 4.740 -0.056 0.000 0.267 83 N C 1.097 176.682 175.510 0.125 0.000 1.222 83 N CA 0.052 53.249 53.050 0.244 0.000 0.930 83 N CB 0.670 39.349 38.487 0.319 0.000 1.083 83 N HN 0.615 nan 8.380 nan 0.000 0.476 84 K N 2.482 122.877 120.400 -0.008 0.000 2.044 84 K HA -0.197 4.090 4.320 -0.056 0.000 0.210 84 K C 1.774 178.373 176.600 -0.001 0.000 1.049 84 K CA 1.266 57.557 56.287 0.007 0.000 0.927 84 K CB 0.056 32.537 32.500 -0.031 0.000 0.713 84 K HN 0.554 nan 8.250 nan 0.000 0.443 85 R N -0.444 120.036 120.500 -0.033 0.000 2.062 85 R HA -0.074 4.233 4.340 -0.056 0.000 0.229 85 R C 2.114 178.426 176.300 0.020 0.000 1.128 85 R CA 1.459 57.551 56.100 -0.014 0.000 0.960 85 R CB -0.200 30.081 30.300 -0.032 0.000 0.855 85 R HN 0.113 nan 8.270 nan 0.000 0.432 86 T N -0.446 114.138 114.554 0.051 0.000 3.065 86 T HA 0.002 4.319 4.350 -0.056 0.000 0.252 86 T C 0.367 175.128 174.700 0.102 0.000 1.099 86 T CA 0.245 62.396 62.100 0.084 0.000 1.063 86 T CB 0.248 69.190 68.868 0.124 0.000 0.948 86 T HN 0.215 nan 8.240 nan 0.000 0.506 87 Q N 0.044 119.917 119.800 0.122 0.000 2.261 87 Q HA -0.162 4.145 4.340 -0.056 0.000 0.155 87 Q C 0.182 176.318 176.000 0.226 0.000 0.598 87 Q CA 1.269 57.150 55.803 0.129 0.000 1.376 87 Q CB -1.336 27.432 28.738 0.050 0.000 1.356 87 Q HN 0.741 nan 8.270 nan 0.000 0.947 88 E N 1.734 122.062 120.200 0.212 0.000 2.418 88 E HA 0.116 4.432 4.350 -0.056 0.000 0.261 88 E C 0.157 176.827 176.600 0.116 0.000 1.070 88 E CA 0.124 56.598 56.400 0.124 0.000 0.931 88 E CB 0.515 30.242 29.700 0.045 0.000 0.954 88 E HN 0.172 nan 8.360 nan 0.000 0.439 89 K N 2.537 122.849 120.400 -0.147 0.000 2.130 89 K HA 0.415 4.702 4.320 -0.056 0.000 0.268 89 K C -0.960 175.276 176.600 -0.608 0.000 0.983 89 K CA -0.444 55.674 56.287 -0.282 0.000 0.893 89 K CB 0.991 33.359 32.500 -0.219 0.000 1.066 89 K HN 0.228 nan 8.250 nan 0.000 0.450 90 F N -0.082 119.775 119.950 -0.156 0.000 2.692 90 F HA 0.562 5.056 4.527 -0.057 0.000 0.320 90 F C -0.709 174.984 175.800 -0.178 0.000 1.123 90 F CA -1.162 56.771 58.000 -0.111 0.000 0.961 90 F CB 2.187 41.150 39.000 -0.062 0.000 1.383 90 F HN 0.700 nan 8.300 nan 0.000 0.483 91 A N 1.479 124.352 122.820 0.087 0.000 2.330 91 A HA 0.785 5.072 4.320 -0.056 0.000 0.327 91 A C -1.920 175.635 177.584 -0.048 0.000 1.155 91 A CA -0.569 51.462 52.037 -0.009 0.000 0.803 91 A CB 1.346 20.355 19.000 0.015 0.000 1.208 91 A HN 0.683 nan 8.150 nan 0.000 0.477 92 L N 1.853 123.024 121.223 -0.087 0.000 2.325 92 L HA 0.591 4.898 4.340 -0.056 0.000 0.281 92 L C -0.200 176.629 176.870 -0.067 0.000 1.004 92 L CA -0.238 54.532 54.840 -0.117 0.000 0.823 92 L CB 1.389 43.342 42.059 -0.176 0.000 1.236 92 L HN 0.678 nan 8.230 nan 0.000 0.415 93 K N 5.798 126.171 120.400 -0.044 0.000 2.206 93 K HA 0.511 4.797 4.320 -0.056 0.000 0.264 93 K C -1.156 175.428 176.600 -0.026 0.000 0.967 93 K CA -0.563 55.717 56.287 -0.012 0.000 0.844 93 K CB 1.115 33.635 32.500 0.033 0.000 1.099 93 K HN 0.707 nan 8.250 nan 0.000 0.441 94 M N 6.175 125.759 119.600 -0.026 0.000 2.149 94 M HA 0.349 4.796 4.480 -0.056 0.000 0.342 94 M C -1.155 175.145 176.300 0.001 0.000 1.068 94 M CA -0.681 54.598 55.300 -0.036 0.000 0.991 94 M CB 0.939 33.497 32.600 -0.069 0.000 1.596 94 M HN 0.471 nan 8.290 nan 0.000 0.439 95 L N 2.467 123.695 121.223 0.010 0.000 2.370 95 L HA 0.480 4.787 4.340 -0.056 0.000 0.266 95 L C -0.246 176.644 176.870 0.033 0.000 1.002 95 L CA -0.794 54.061 54.840 0.025 0.000 0.818 95 L CB 2.296 44.371 42.059 0.027 0.000 1.325 95 L HN 0.595 nan 8.230 nan 0.000 0.418 96 Q N 1.948 121.770 119.800 0.038 0.000 2.294 96 Q HA 0.082 4.388 4.340 -0.056 0.000 0.257 96 Q C -0.849 175.167 176.000 0.026 0.000 0.955 96 Q CA -0.602 55.226 55.803 0.042 0.000 0.936 96 Q CB 1.320 30.085 28.738 0.044 0.000 1.188 96 Q HN 0.439 nan 8.270 nan 0.000 0.420 97 D N 2.787 123.202 120.400 0.026 0.000 2.493 97 D HA 0.059 4.666 4.640 -0.056 0.000 0.240 97 D C -0.554 175.751 176.300 0.008 0.000 1.142 97 D CA 0.409 54.417 54.000 0.014 0.000 0.872 97 D CB 0.115 40.924 40.800 0.014 0.000 1.173 97 D HN 0.662 nan 8.370 nan 0.000 0.467 98 C N 2.525 121.826 119.300 0.002 0.000 3.167 98 C HA 0.399 4.826 4.460 -0.056 0.000 0.348 98 C C -2.000 172.986 174.990 -0.006 0.000 1.394 98 C CA -0.866 58.150 59.018 -0.003 0.000 1.204 98 C CB 0.884 28.621 27.740 -0.005 0.000 1.467 98 C HN 0.366 nan 8.230 nan 0.000 0.446 99 P HA -0.125 nan 4.420 nan 0.000 0.215 99 P C 1.398 178.691 177.300 -0.012 0.000 1.153 99 P CA 1.946 65.040 63.100 -0.011 0.000 0.853 99 P CB 0.021 31.712 31.700 -0.014 0.000 0.788 100 K N -0.175 120.213 120.400 -0.019 0.000 2.009 100 K HA -0.112 4.175 4.320 -0.056 0.000 0.210 100 K C 2.298 178.893 176.600 -0.009 0.000 1.049 100 K CA 1.747 58.018 56.287 -0.027 0.000 0.929 100 K CB -0.604 31.870 32.500 -0.044 0.000 0.714 100 K HN 0.028 nan 8.250 nan 0.000 0.440 101 A N 1.337 124.156 122.820 -0.002 0.000 1.930 101 A HA -0.124 4.163 4.320 -0.056 0.000 0.217 101 A C 1.997 179.591 177.584 0.016 0.000 1.175 101 A CA 1.033 53.078 52.037 0.013 0.000 0.627 101 A CB -0.273 18.734 19.000 0.013 0.000 0.815 101 A HN 0.151 nan 8.150 nan 0.000 0.443 102 R N -0.484 120.020 120.500 0.006 0.000 2.096 102 R HA -0.094 4.213 4.340 -0.056 0.000 0.235 102 R C 2.290 178.600 176.300 0.016 0.000 1.127 102 R CA 1.459 57.561 56.100 0.003 0.000 0.968 102 R CB -0.546 29.751 30.300 -0.004 0.000 0.861 102 R HN 0.621 nan 8.270 nan 0.000 0.440 103 R N 0.862 121.375 120.500 0.021 0.000 2.062 103 R HA -0.113 4.194 4.340 -0.056 0.000 0.229 103 R C 2.097 178.437 176.300 0.067 0.000 1.128 103 R CA 1.430 57.551 56.100 0.036 0.000 0.960 103 R CB -0.090 30.225 30.300 0.025 0.000 0.855 103 R HN 0.258 nan 8.270 nan 0.000 0.432 104 E N -0.078 120.168 120.200 0.076 0.000 2.048 104 E HA -0.217 4.100 4.350 -0.056 0.000 0.202 104 E C 1.837 178.517 176.600 0.133 0.000 1.021 104 E CA 2.192 58.673 56.400 0.135 0.000 0.825 104 E CB -0.021 29.758 29.700 0.133 0.000 0.756 104 E HN 0.171 nan 8.360 nan 0.000 0.454 105 V N 1.477 121.442 119.914 0.084 0.000 2.287 105 V HA -0.243 3.844 4.120 -0.056 0.000 0.248 105 V C 2.538 178.684 176.094 0.087 0.000 1.053 105 V CA 2.082 64.417 62.300 0.058 0.000 1.027 105 V CB -0.633 31.192 31.823 0.004 0.000 0.646 105 V HN 0.332 nan 8.190 nan 0.000 0.447 106 E N 0.148 120.392 120.200 0.073 0.000 2.038 106 E HA -0.187 4.129 4.350 -0.056 0.000 0.195 106 E C 2.238 178.917 176.600 0.132 0.000 1.000 106 E CA 1.554 58.012 56.400 0.097 0.000 0.803 106 E CB -0.266 29.470 29.700 0.060 0.000 0.750 106 E HN 0.539 nan 8.360 nan 0.000 0.448 107 L N -0.484 120.794 121.223 0.091 0.000 2.017 107 L HA -0.198 4.108 4.340 -0.056 0.000 0.208 107 L C 2.688 179.491 176.870 -0.111 0.000 1.073 107 L CA 1.491 56.368 54.840 0.061 0.000 0.745 107 L CB -0.633 41.508 42.059 0.136 0.000 0.894 107 L HN 0.308 nan 8.230 nan 0.000 0.432 108 H N -0.854 117.974 119.070 -0.403 0.000 2.352 108 H HA -0.286 4.238 4.556 -0.053 0.000 0.299 108 H C 2.215 177.342 175.328 -0.334 0.000 1.097 108 H CA 1.754 57.297 56.048 -0.842 0.000 1.311 108 H CB -0.056 29.366 29.762 -0.567 0.000 1.377 108 H HN 0.453 nan 8.280 nan 0.000 0.504 109 W N 1.879 123.128 121.300 -0.084 0.000 2.363 109 W HA -0.216 4.410 4.660 -0.056 0.000 0.296 109 W C 2.124 178.637 176.519 -0.011 0.000 1.212 109 W CA 1.292 58.601 57.345 -0.061 0.000 1.260 109 W CB -0.227 29.196 29.460 -0.063 0.000 1.131 109 W HN 0.195 nan 8.180 nan 0.000 0.530 110 R N 0.534 121.010 120.500 -0.039 0.000 2.081 110 R HA -0.118 4.189 4.340 -0.056 0.000 0.235 110 R C 2.484 178.765 176.300 -0.032 0.000 1.131 110 R CA 2.190 58.251 56.100 -0.065 0.000 0.960 110 R CB -0.702 29.630 30.300 0.053 0.000 0.856 110 R HN 0.119 nan 8.270 nan 0.000 0.436 111 A N -1.052 121.764 122.820 -0.007 0.000 2.178 111 A HA 0.010 4.297 4.320 -0.056 0.000 0.211 111 A C 1.868 179.451 177.584 -0.001 0.000 1.157 111 A CA 0.870 53.001 52.037 0.157 0.000 0.780 111 A CB -0.236 18.855 19.000 0.151 0.000 0.828 111 A HN 0.322 nan 8.150 nan 0.000 0.476 112 S N -0.156 115.458 115.700 -0.143 0.000 2.419 112 S HA -0.221 4.216 4.470 -0.056 0.000 0.233 112 S C 1.967 176.430 174.600 -0.230 0.000 1.016 112 S CA 1.626 59.732 58.200 -0.157 0.000 0.974 112 S CB -0.376 62.654 63.200 -0.283 0.000 0.786 112 S HN 0.715 nan 8.310 nan 0.000 0.492 113 Q N -0.011 119.614 119.800 -0.292 0.000 2.124 113 Q HA -0.066 4.241 4.340 -0.056 0.000 0.202 113 Q C 1.418 177.210 176.000 -0.347 0.000 0.977 113 Q CA 0.828 56.462 55.803 -0.282 0.000 0.850 113 Q CB -0.556 28.055 28.738 -0.210 0.000 0.901 113 Q HN 0.654 nan 8.270 nan 0.000 0.429 114 C N 2.425 121.401 119.300 -0.540 0.000 2.596 114 C HA 0.034 4.461 4.460 -0.056 0.000 0.414 114 C C -1.121 173.706 174.990 -0.271 0.000 1.396 114 C CA -1.494 57.167 59.018 -0.595 0.000 1.698 114 C CB 0.380 27.713 27.740 -0.678 0.000 2.572 114 C HN 0.308 nan 8.230 nan 0.000 0.604 115 P HA -0.093 nan 4.420 nan 0.000 0.221 115 P C 0.690 177.782 177.300 -0.347 0.000 1.145 115 P CA 1.606 64.545 63.100 -0.269 0.000 0.795 115 P CB -0.152 31.363 31.700 -0.309 0.000 0.775 116 H N -1.668 117.353 119.070 -0.082 0.000 2.487 116 H HA 0.346 4.869 4.556 -0.056 0.000 0.290 116 H C 0.395 175.702 175.328 -0.035 0.000 1.081 116 H CA -0.179 55.835 56.048 -0.058 0.000 1.116 116 H CB 0.331 30.058 29.762 -0.058 0.000 1.560 116 H HN 0.201 nan 8.280 nan 0.000 0.548 117 I N 0.876 121.478 120.570 0.054 0.000 2.498 117 I HA 0.065 4.202 4.170 -0.056 0.000 0.290 117 I C 0.164 176.347 176.117 0.110 0.000 1.032 117 I CA -0.914 60.451 61.300 0.108 0.000 1.073 117 I CB 3.222 41.317 38.000 0.158 0.000 1.251 117 I HN -0.178 nan 8.210 nan 0.000 0.426 118 V N 7.329 127.347 119.914 0.173 0.000 2.584 118 V HA -0.015 4.072 4.120 -0.056 0.000 0.303 118 V C 0.547 176.782 176.094 0.236 0.000 1.035 118 V CA 0.411 62.828 62.300 0.194 0.000 1.172 118 V CB 0.361 32.324 31.823 0.233 0.000 0.896 118 V HN 0.734 nan 8.190 nan 0.000 0.486 119 R N 5.930 126.507 120.500 0.127 0.000 2.298 119 R HA 0.407 4.713 4.340 -0.056 0.000 0.310 119 R C -0.223 176.122 176.300 0.076 0.000 1.068 119 R CA -0.541 55.606 56.100 0.079 0.000 0.957 119 R CB 0.554 30.880 30.300 0.044 0.000 1.003 119 R HN 0.804 nan 8.270 nan 0.000 0.454 120 I N 4.899 125.487 120.570 0.030 0.000 2.471 120 I HA -0.053 4.083 4.170 -0.056 0.000 0.286 120 I C 1.159 177.351 176.117 0.125 0.000 1.079 120 I CA -0.166 61.150 61.300 0.028 0.000 1.398 120 I CB 1.626 39.644 38.000 0.031 0.000 1.403 120 I HN 0.563 nan 8.210 nan 0.000 0.530 121 V N 4.726 124.684 119.914 0.073 0.000 2.500 121 V HA 0.072 4.158 4.120 -0.056 0.000 0.243 121 V C 0.209 176.321 176.094 0.030 0.000 1.039 121 V CA 1.364 63.697 62.300 0.056 0.000 1.053 121 V CB -0.259 31.536 31.823 -0.047 0.000 0.695 121 V HN 0.748 nan 8.190 nan 0.000 0.463 122 D N -2.036 118.354 120.400 -0.017 0.000 2.663 122 D HA 0.457 5.064 4.640 -0.056 0.000 0.233 122 D C -1.513 174.715 176.300 -0.119 0.000 1.240 122 D CA -0.093 53.849 54.000 -0.097 0.000 0.774 122 D CB 3.046 43.818 40.800 -0.047 0.000 1.443 122 D HN -0.126 nan 8.370 nan 0.000 0.441 123 V N 2.051 121.809 119.914 -0.260 0.000 2.531 123 V HA 0.428 4.515 4.120 -0.056 0.000 0.301 123 V C -1.044 174.877 176.094 -0.288 0.000 1.034 123 V CA -0.661 61.528 62.300 -0.185 0.000 0.865 123 V CB 1.257 32.963 31.823 -0.195 0.000 0.995 123 V HN 0.419 nan 8.190 nan 0.000 0.424 124 Y N 1.954 122.200 120.300 -0.091 0.000 2.387 124 Y HA 0.531 5.048 4.550 -0.056 0.000 0.336 124 Y C 0.414 176.280 175.900 -0.058 0.000 1.067 124 Y CA -0.601 57.460 58.100 -0.065 0.000 1.114 124 Y CB 1.784 40.213 38.460 -0.051 0.000 1.208 124 Y HN 0.620 nan 8.280 nan 0.000 0.458 125 E N 3.431 123.683 120.200 0.087 0.000 2.145 125 E HA 0.358 4.674 4.350 -0.056 0.000 0.262 125 E C -1.421 175.226 176.600 0.078 0.000 0.883 125 E CA -0.294 56.138 56.400 0.053 0.000 0.748 125 E CB 0.491 30.193 29.700 0.003 0.000 1.140 125 E HN 0.836 nan 8.360 nan 0.000 0.417 126 N N 3.273 122.019 118.700 0.077 0.000 2.469 126 N HA 0.446 5.153 4.740 -0.056 0.000 0.286 126 N C -1.110 174.447 175.510 0.079 0.000 1.275 126 N CA -0.820 52.276 53.050 0.076 0.000 0.790 126 N CB 1.626 40.152 38.487 0.065 0.000 1.446 126 N HN 0.273 nan 8.380 nan 0.000 0.501 127 L N 2.213 123.487 121.223 0.085 0.000 2.265 127 L HA 0.343 4.650 4.340 -0.056 0.000 0.289 127 L C -1.341 175.628 176.870 0.165 0.000 1.033 127 L CA -0.469 54.428 54.840 0.095 0.000 0.814 127 L CB 0.328 42.423 42.059 0.059 0.000 1.203 127 L HN 0.518 nan 8.230 nan 0.000 0.423 128 Y N 3.929 124.231 120.300 0.004 0.000 2.332 128 Y HA 0.516 5.032 4.550 -0.056 0.000 0.326 128 Y C 0.405 176.306 175.900 0.002 0.000 0.978 128 Y CA -1.092 57.010 58.100 0.002 0.000 1.205 128 Y CB 1.507 39.967 38.460 0.000 0.000 1.131 128 Y HN 0.685 nan 8.280 nan 0.000 0.462 129 A N 4.188 126.779 122.820 -0.380 0.000 2.519 129 A HA 0.008 4.295 4.320 -0.056 0.000 0.297 129 A C 1.568 179.057 177.584 -0.158 0.000 1.472 129 A CA 1.470 53.303 52.037 -0.340 0.000 0.739 129 A CB -2.043 16.633 19.000 -0.540 0.000 1.096 129 A HN 2.456 nan 8.150 nan 0.000 0.414 130 G N -1.274 107.481 108.800 -0.075 0.000 2.269 130 G HA2 -0.314 3.612 3.960 -0.056 0.000 0.277 130 G HA3 -0.314 3.612 3.960 -0.056 0.000 0.277 130 G C 0.250 175.137 174.900 -0.023 0.000 1.008 130 G CA 1.363 46.442 45.100 -0.036 0.000 0.774 130 G HN 1.250 nan 8.290 nan 0.000 0.511 131 R N -0.696 119.796 120.500 -0.013 0.000 2.750 131 R HA 0.446 4.753 4.340 -0.056 0.000 0.281 131 R C 0.255 176.584 176.300 0.047 0.000 0.972 131 R CA -0.975 55.132 56.100 0.012 0.000 0.912 131 R CB 1.437 31.740 30.300 0.005 0.000 1.187 131 R HN 0.145 nan 8.270 nan 0.000 0.464 132 K N 0.831 121.254 120.400 0.039 0.000 2.319 132 K HA 0.205 4.492 4.320 -0.056 0.000 0.265 132 K C -0.763 175.873 176.600 0.059 0.000 1.000 132 K CA 0.152 56.466 56.287 0.045 0.000 0.943 132 K CB 0.680 33.196 32.500 0.026 0.000 0.950 132 K HN 0.436 nan 8.250 nan 0.000 0.485 133 C N 3.058 122.394 119.300 0.059 0.000 2.701 133 C HA 0.303 4.730 4.460 -0.056 0.000 0.336 133 C C -1.232 173.780 174.990 0.037 0.000 1.123 133 C CA -1.054 57.998 59.018 0.057 0.000 1.326 133 C CB 0.888 28.673 27.740 0.074 0.000 1.833 133 C HN 0.544 nan 8.230 nan 0.000 0.473 134 L N 4.671 125.909 121.223 0.024 0.000 2.265 134 L HA 0.553 4.860 4.340 -0.056 0.000 0.288 134 L C -0.206 176.671 176.870 0.012 0.000 1.058 134 L CA 0.266 55.115 54.840 0.015 0.000 0.809 134 L CB 0.743 42.804 42.059 0.004 0.000 1.179 134 L HN 0.555 nan 8.230 nan 0.000 0.429 135 L N 5.665 126.904 121.223 0.028 0.000 2.298 135 L HA 0.548 4.854 4.340 -0.056 0.000 0.284 135 L C -0.181 176.702 176.870 0.022 0.000 1.013 135 L CA -0.373 54.469 54.840 0.004 0.000 0.824 135 L CB 1.698 43.741 42.059 -0.026 0.000 1.221 135 L HN 0.402 nan 8.230 nan 0.000 0.418 136 I N 3.815 124.373 120.570 -0.020 0.000 2.321 136 I HA 0.304 4.441 4.170 -0.056 0.000 0.291 136 I C -0.210 175.867 176.117 -0.066 0.000 0.998 136 I CA -0.771 60.507 61.300 -0.036 0.000 1.227 136 I CB 1.898 39.869 38.000 -0.049 0.000 1.368 136 I HN 0.227 nan 8.210 nan 0.000 0.466 137 V N 7.692 127.559 119.914 -0.078 0.000 2.383 137 V HA 0.429 4.515 4.120 -0.056 0.000 0.275 137 V C 0.290 176.346 176.094 -0.064 0.000 1.036 137 V CA -0.377 61.832 62.300 -0.152 0.000 0.889 137 V CB 1.079 32.717 31.823 -0.309 0.000 0.985 137 V HN 0.698 nan 8.190 nan 0.000 0.459 138 M N 2.879 122.484 119.600 0.007 0.000 2.644 138 M HA 0.683 5.129 4.480 -0.056 0.000 0.304 138 M C -0.092 176.341 176.300 0.221 0.000 1.215 138 M CA -0.866 54.487 55.300 0.088 0.000 0.871 138 M CB 1.926 34.567 32.600 0.067 0.000 1.740 138 M HN 0.716 nan 8.290 nan 0.000 0.464 139 E N 0.393 120.741 120.200 0.246 0.000 2.492 139 E HA 0.032 4.348 4.350 -0.056 0.000 0.266 139 E C -1.041 175.622 176.600 0.106 0.000 1.047 139 E CA -0.422 56.117 56.400 0.233 0.000 0.968 139 E CB 0.663 30.451 29.700 0.145 0.000 0.960 139 E HN 0.674 nan 8.360 nan 0.000 0.452 140 C N 4.545 123.837 119.300 -0.013 0.000 2.303 140 C HA 0.274 4.701 4.460 -0.056 0.000 0.341 140 C C 0.288 175.269 174.990 -0.016 0.000 1.244 140 C CA -0.588 58.403 59.018 -0.044 0.000 1.765 140 C CB -1.404 26.249 27.740 -0.144 0.000 2.379 140 C HN 0.664 nan 8.230 nan 0.000 0.530 141 L N 6.433 127.664 121.223 0.015 0.000 2.556 141 L HA 0.259 4.566 4.340 -0.056 0.000 0.245 141 L C 0.747 177.639 176.870 0.037 0.000 1.174 141 L CA -0.075 54.785 54.840 0.034 0.000 1.117 141 L CB -0.026 42.060 42.059 0.045 0.000 1.409 141 L HN 0.750 nan 8.230 nan 0.000 0.411 142 D N -0.889 119.525 120.400 0.023 0.000 2.349 142 D HA -0.064 4.543 4.640 -0.056 0.000 0.224 142 D C 1.844 178.170 176.300 0.043 0.000 1.029 142 D CA 0.284 54.299 54.000 0.024 0.000 0.879 142 D CB 0.257 41.060 40.800 0.004 0.000 0.906 142 D HN 0.363 nan 8.370 nan 0.000 0.528 143 G N -0.232 108.611 108.800 0.072 0.000 2.559 143 G HA2 0.280 4.207 3.960 -0.056 0.000 0.216 143 G HA3 0.280 4.207 3.960 -0.056 0.000 0.216 143 G C 1.022 175.991 174.900 0.114 0.000 1.126 143 G CA 0.086 45.241 45.100 0.092 0.000 0.778 143 G HN 0.726 nan 8.290 nan 0.000 0.543 144 G N -0.389 108.474 108.800 0.106 0.000 2.782 144 G HA2 -0.188 3.738 3.960 -0.056 0.000 0.228 144 G HA3 -0.188 3.738 3.960 -0.056 0.000 0.228 144 G C -0.254 174.722 174.900 0.125 0.000 1.372 144 G CA -0.277 44.882 45.100 0.099 0.000 0.862 144 G HN 0.496 nan 8.290 nan 0.000 0.547 145 E N -0.562 119.700 120.200 0.104 0.000 2.392 145 E HA 0.319 4.635 4.350 -0.056 0.000 0.259 145 E C 1.606 178.260 176.600 0.089 0.000 1.108 145 E CA -0.139 56.309 56.400 0.081 0.000 0.916 145 E CB 1.053 30.818 29.700 0.108 0.000 0.989 145 E HN 0.615 nan 8.360 nan 0.000 0.432 146 L N 1.501 122.691 121.223 -0.056 0.000 2.017 146 L HA -0.168 4.139 4.340 -0.056 0.000 0.208 146 L C 1.597 178.388 176.870 -0.132 0.000 1.073 146 L CA 1.810 56.562 54.840 -0.148 0.000 0.745 146 L CB -0.256 41.497 42.059 -0.509 0.000 0.894 146 L HN 0.595 nan 8.230 nan 0.000 0.432 147 F N -1.183 118.825 119.950 0.098 0.000 2.748 147 F HA -0.020 4.472 4.527 -0.057 0.000 0.299 147 F C 2.275 178.084 175.800 0.016 0.000 1.154 147 F CA 0.493 58.523 58.000 0.050 0.000 1.446 147 F CB -0.183 38.897 39.000 0.134 0.000 1.112 147 F HN 0.060 nan 8.300 nan 0.000 0.584 148 S N -0.267 115.546 115.700 0.189 0.000 2.377 148 S HA -0.055 4.382 4.470 -0.056 0.000 0.223 148 S C 2.127 176.755 174.600 0.047 0.000 1.030 148 S CA 0.482 58.750 58.200 0.112 0.000 0.970 148 S CB -0.101 63.166 63.200 0.110 0.000 0.830 148 S HN 0.265 nan 8.310 nan 0.000 0.473 149 R N 0.871 121.394 120.500 0.039 0.000 2.092 149 R HA 0.029 4.335 4.340 -0.056 0.000 0.231 149 R C 1.977 178.225 176.300 -0.087 0.000 1.119 149 R CA 0.896 56.972 56.100 -0.040 0.000 0.970 149 R CB -0.514 29.731 30.300 -0.093 0.000 0.864 149 R HN 0.367 nan 8.270 nan 0.000 0.440 150 I N 0.779 121.290 120.570 -0.099 0.000 2.252 150 I HA -0.225 3.912 4.170 -0.056 0.000 0.245 150 I C 2.289 178.304 176.117 -0.171 0.000 1.102 150 I CA 1.174 62.325 61.300 -0.248 0.000 1.385 150 I CB -1.145 36.665 38.000 -0.317 0.000 1.064 150 I HN 0.220 nan 8.210 nan 0.000 0.414 151 Q N 0.491 120.239 119.800 -0.086 0.000 2.508 151 Q HA -0.170 4.137 4.340 -0.056 0.000 0.214 151 Q C -0.464 175.498 176.000 -0.062 0.000 0.979 151 Q CA 0.804 56.560 55.803 -0.079 0.000 0.911 151 Q CB 0.079 28.785 28.738 -0.053 0.000 0.969 151 Q HN 0.394 nan 8.270 nan 0.000 0.504 152 D N 0.011 120.375 120.400 -0.060 0.000 2.683 152 D HA 0.260 4.866 4.640 -0.056 0.000 0.309 152 D C -0.541 175.732 176.300 -0.045 0.000 1.238 152 D CA -0.104 53.869 54.000 -0.044 0.000 0.936 152 D CB 0.652 41.431 40.800 -0.035 0.000 1.001 152 D HN 0.085 nan 8.370 nan 0.000 0.505 153 R N -0.867 119.608 120.500 -0.041 0.000 2.936 153 R HA 0.805 5.112 4.340 -0.056 0.000 0.095 153 R C 0.980 177.266 176.300 -0.023 0.000 0.565 153 R CA -0.384 55.700 56.100 -0.028 0.000 0.363 153 R CB 0.110 30.399 30.300 -0.019 0.000 0.398 153 R HN 0.163 nan 8.270 nan 0.000 0.321 154 G N 0.881 109.670 108.800 -0.017 0.000 3.700 154 G HA2 -0.315 3.611 3.960 -0.056 0.000 0.211 154 G HA3 -0.315 3.611 3.960 -0.056 0.000 0.211 154 G C -0.736 174.155 174.900 -0.015 0.000 1.777 154 G CA 0.080 45.168 45.100 -0.019 0.000 1.460 154 G HN 0.733 nan 8.290 nan 0.000 0.615 155 D N 2.383 122.774 120.400 -0.015 0.000 5.758 155 D HA 0.147 4.754 4.640 -0.056 0.000 0.222 155 D C 0.570 176.867 176.300 -0.006 0.000 1.450 155 D CA 1.843 55.836 54.000 -0.012 0.000 0.892 155 D CB -0.651 40.141 40.800 -0.014 0.000 1.395 155 D HN 1.002 nan 8.370 nan 0.000 0.804 156 Q N 1.371 121.169 119.800 -0.003 0.000 2.401 156 Q HA -0.259 4.047 4.340 -0.056 0.000 0.355 156 Q C -0.691 175.325 176.000 0.028 0.000 1.355 156 Q CA 0.200 56.007 55.803 0.007 0.000 0.971 156 Q CB -1.216 27.526 28.738 0.007 0.000 1.102 156 Q HN 0.850 nan 8.270 nan 0.000 0.309 157 A N 3.793 126.627 122.820 0.023 0.000 2.567 157 A HA 0.258 4.544 4.320 -0.056 0.000 0.236 157 A C -0.164 177.495 177.584 0.125 0.000 1.088 157 A CA 0.511 52.579 52.037 0.052 0.000 0.776 157 A CB 0.173 19.180 19.000 0.010 0.000 1.033 157 A HN 0.654 nan 8.150 nan 0.000 0.513 158 F N 0.919 120.847 119.950 -0.037 0.000 2.410 158 F HA 0.472 4.965 4.527 -0.057 0.000 0.348 158 F C 1.027 176.812 175.800 -0.026 0.000 1.106 158 F CA 0.216 58.201 58.000 -0.025 0.000 1.163 158 F CB 1.103 40.094 39.000 -0.015 0.000 1.129 158 F HN 0.762 nan 8.300 nan 0.000 0.516 159 T N 0.984 115.252 114.554 -0.477 0.000 2.940 159 T HA 0.230 4.546 4.350 -0.056 0.000 0.288 159 T C 0.744 175.145 174.700 -0.499 0.000 1.033 159 T CA -0.744 61.132 62.100 -0.373 0.000 1.033 159 T CB 1.752 70.496 68.868 -0.207 0.000 1.079 159 T HN 0.815 nan 8.240 nan 0.000 0.496 160 E N 0.422 120.467 120.200 -0.258 0.000 2.118 160 E HA -0.227 4.089 4.350 -0.056 0.000 0.195 160 E C 2.165 178.663 176.600 -0.170 0.000 0.992 160 E CA 1.030 57.353 56.400 -0.128 0.000 0.804 160 E CB -0.010 29.704 29.700 0.024 0.000 0.741 160 E HN 0.694 nan 8.360 nan 0.000 0.458 161 R N 0.564 120.935 120.500 -0.215 0.000 2.096 161 R HA -0.161 4.145 4.340 -0.056 0.000 0.235 161 R C 1.902 178.026 176.300 -0.293 0.000 1.127 161 R CA 1.811 57.755 56.100 -0.261 0.000 0.968 161 R CB -0.008 30.179 30.300 -0.190 0.000 0.861 161 R HN 0.191 nan 8.270 nan 0.000 0.440 162 E N -0.124 119.891 120.200 -0.308 0.000 2.152 162 E HA -0.120 4.197 4.350 -0.056 0.000 0.192 162 E C 1.939 178.421 176.600 -0.196 0.000 0.983 162 E CA 0.941 57.199 56.400 -0.237 0.000 0.818 162 E CB -0.039 29.521 29.700 -0.233 0.000 0.758 162 E HN 0.478 nan 8.360 nan 0.000 0.467 163 A N 0.983 123.606 122.820 -0.329 0.000 1.902 163 A HA -0.223 4.064 4.320 -0.056 0.000 0.217 163 A C 2.256 179.802 177.584 -0.064 0.000 1.181 163 A CA 1.801 53.819 52.037 -0.032 0.000 0.623 163 A CB -0.674 18.359 19.000 0.054 0.000 0.818 163 A HN 0.244 nan 8.150 nan 0.000 0.443 164 S N -0.512 114.932 115.700 -0.426 0.000 2.382 164 S HA -0.213 4.223 4.470 -0.056 0.000 0.228 164 S C 1.849 176.197 174.600 -0.419 0.000 1.027 164 S CA 1.812 59.476 58.200 -0.893 0.000 0.991 164 S CB -0.337 62.046 63.200 -1.361 0.000 0.823 164 S HN 0.656 nan 8.310 nan 0.000 0.469 165 E N 0.212 120.257 120.200 -0.259 0.000 2.107 165 E HA 0.005 4.321 4.350 -0.056 0.000 0.191 165 E C 1.980 178.547 176.600 -0.054 0.000 0.982 165 E CA 1.233 57.550 56.400 -0.138 0.000 0.809 165 E CB -0.146 29.500 29.700 -0.090 0.000 0.756 165 E HN 0.580 nan 8.360 nan 0.000 0.459 166 I N 0.403 120.975 120.570 0.003 0.000 2.163 166 I HA -0.267 3.869 4.170 -0.056 0.000 0.240 166 I C 2.235 178.364 176.117 0.021 0.000 1.081 166 I CA 0.708 62.036 61.300 0.047 0.000 1.353 166 I CB -0.159 37.921 38.000 0.134 0.000 1.054 166 I HN 0.181 nan 8.210 nan 0.000 0.407 167 M N 0.568 120.214 119.600 0.077 0.000 2.149 167 M HA -0.251 4.196 4.480 -0.056 0.000 0.261 167 M C 2.272 178.664 176.300 0.153 0.000 1.064 167 M CA 1.706 57.108 55.300 0.171 0.000 1.102 167 M CB -1.188 31.625 32.600 0.354 0.000 1.369 167 M HN 0.189 nan 8.290 nan 0.000 0.408 168 K N 0.138 120.559 120.400 0.035 0.000 2.097 168 K HA -0.131 4.156 4.320 -0.056 0.000 0.206 168 K C 2.027 178.583 176.600 -0.074 0.000 1.049 168 K CA 1.837 58.127 56.287 0.006 0.000 0.933 168 K CB 0.031 32.485 32.500 -0.076 0.000 0.717 168 K HN 0.396 nan 8.250 nan 0.000 0.442 169 S N 0.078 115.676 115.700 -0.170 0.000 2.446 169 S HA -0.025 4.412 4.470 -0.056 0.000 0.225 169 S C 1.960 176.290 174.600 -0.450 0.000 1.016 169 S CA 0.490 58.400 58.200 -0.483 0.000 0.943 169 S CB -0.368 62.541 63.200 -0.486 0.000 0.786 169 S HN 0.314 nan 8.310 nan 0.000 0.508 170 I N 2.433 122.876 120.570 -0.211 0.000 2.202 170 I HA -0.038 4.099 4.170 -0.056 0.000 0.242 170 I C 2.954 178.979 176.117 -0.154 0.000 1.091 170 I CA 1.162 62.358 61.300 -0.174 0.000 1.368 170 I CB -1.120 36.803 38.000 -0.128 0.000 1.058 170 I HN 0.469 nan 8.210 nan 0.000 0.410 171 G N 0.456 109.221 108.800 -0.059 0.000 2.469 171 G HA2 -0.272 3.655 3.960 -0.056 0.000 0.219 171 G HA3 -0.272 3.655 3.960 -0.056 0.000 0.219 171 G C 1.527 176.411 174.900 -0.028 0.000 1.150 171 G CA 0.841 45.941 45.100 -0.001 0.000 0.763 171 G HN 0.423 nan 8.290 nan 0.000 0.561 172 E N 0.409 120.573 120.200 -0.059 0.000 2.118 172 E HA -0.078 4.238 4.350 -0.056 0.000 0.195 172 E C 2.955 179.561 176.600 0.010 0.000 0.992 172 E CA 0.724 57.104 56.400 -0.033 0.000 0.804 172 E CB -0.184 29.456 29.700 -0.099 0.000 0.741 172 E HN 0.436 nan 8.360 nan 0.000 0.458 173 A N 1.515 124.308 122.820 -0.045 0.000 1.858 173 A HA -0.190 4.096 4.320 -0.056 0.000 0.216 173 A C 2.126 179.719 177.584 0.015 0.000 1.190 173 A CA 1.182 53.237 52.037 0.029 0.000 0.617 173 A CB -0.473 18.521 19.000 -0.010 0.000 0.827 173 A HN 0.119 nan 8.150 nan 0.000 0.443 174 I N 0.222 120.721 120.570 -0.119 0.000 2.208 174 I HA -0.282 3.854 4.170 -0.056 0.000 0.245 174 I C 2.663 178.602 176.117 -0.297 0.000 1.097 174 I CA 2.064 63.202 61.300 -0.270 0.000 1.363 174 I CB -1.577 36.175 38.000 -0.412 0.000 1.051 174 I HN 0.650 nan 8.210 nan 0.000 0.413 175 Q N 0.354 120.075 119.800 -0.131 0.000 2.096 175 Q HA -0.282 4.025 4.340 -0.056 0.000 0.204 175 Q C 2.468 178.511 176.000 0.072 0.000 0.982 175 Q CA 1.918 57.706 55.803 -0.024 0.000 0.850 175 Q CB -0.451 28.320 28.738 0.055 0.000 0.901 175 Q HN 0.516 nan 8.270 nan 0.000 0.422 176 Y N 0.511 120.815 120.300 0.007 0.000 2.163 176 Y HA -0.168 4.356 4.550 -0.044 0.000 0.288 176 Y C 1.756 177.704 175.900 0.080 0.000 1.136 176 Y CA 1.623 59.751 58.100 0.046 0.000 1.147 176 Y CB -0.130 38.360 38.460 0.050 0.000 0.987 176 Y HN 0.120 nan 8.280 nan 0.000 0.509 177 L N -0.796 120.529 121.223 0.170 0.000 2.012 177 L HA -0.308 3.998 4.340 -0.056 0.000 0.210 177 L C 2.479 179.461 176.870 0.186 0.000 1.073 177 L CA 1.925 56.871 54.840 0.177 0.000 0.748 177 L CB -0.836 41.383 42.059 0.267 0.000 0.891 177 L HN 0.388 nan 8.230 nan 0.000 0.431 178 H N -1.016 118.062 119.070 0.014 0.000 2.353 178 H HA -0.143 4.434 4.556 0.035 0.000 0.300 178 H C 2.549 177.852 175.328 -0.042 0.000 1.090 178 H CA 1.275 57.323 56.048 0.001 0.000 1.327 178 H CB 0.089 29.863 29.762 0.020 0.000 1.383 178 H HN 0.419 nan 8.280 nan 0.000 0.508 179 S N 1.453 117.183 115.700 0.050 0.000 2.442 179 S HA -0.106 4.331 4.470 -0.056 0.000 0.236 179 S C 1.740 176.269 174.600 -0.118 0.000 1.007 179 S CA 1.063 59.238 58.200 -0.041 0.000 0.965 179 S CB -0.670 62.489 63.200 -0.068 0.000 0.773 179 S HN 0.574 nan 8.310 nan 0.000 0.504 180 I N -2.121 118.343 120.570 -0.176 0.000 3.889 180 I HA 0.477 4.614 4.170 -0.056 0.000 0.332 180 I C -0.307 175.772 176.117 -0.064 0.000 1.493 180 I CA -0.632 60.569 61.300 -0.165 0.000 1.158 180 I CB -1.144 36.689 38.000 -0.279 0.000 1.117 180 I HN 0.023 nan 8.210 nan 0.000 0.411 181 N N 1.668 120.351 118.700 -0.030 0.000 2.758 181 N HA -0.134 4.573 4.740 -0.056 0.000 0.248 181 N C -0.919 174.598 175.510 0.012 0.000 1.076 181 N CA 0.725 53.766 53.050 -0.016 0.000 0.696 181 N CB -1.053 37.420 38.487 -0.023 0.000 0.979 181 N HN 0.571 nan 8.380 nan 0.000 0.550 182 I N -0.105 120.499 120.570 0.057 0.000 2.466 182 I HA 0.619 4.756 4.170 -0.056 0.000 0.289 182 I C 0.040 176.248 176.117 0.152 0.000 1.026 182 I CA -0.894 60.472 61.300 0.109 0.000 1.078 182 I CB 1.891 39.995 38.000 0.174 0.000 1.249 182 I HN 0.128 nan 8.210 nan 0.000 0.429 183 A N 3.804 126.684 122.820 0.101 0.000 2.305 183 A HA 0.377 4.663 4.320 -0.056 0.000 0.322 183 A C 0.308 177.983 177.584 0.153 0.000 1.187 183 A CA -0.258 51.855 52.037 0.126 0.000 0.825 183 A CB 0.447 19.469 19.000 0.036 0.000 1.164 183 A HN 0.925 nan 8.150 nan 0.000 0.498 184 H N 1.456 120.572 119.070 0.077 0.000 2.384 184 H HA 0.045 4.564 4.556 -0.062 0.000 0.300 184 H C 0.927 176.243 175.328 -0.020 0.000 1.057 184 H CA 1.752 57.767 56.048 -0.055 0.000 1.370 184 H CB 0.061 29.727 29.762 -0.160 0.000 1.417 184 H HN 0.776 nan 8.280 nan 0.000 0.527 185 R N -0.755 119.844 120.500 0.165 0.000 3.954 185 R HA -0.192 4.115 4.340 -0.056 0.000 0.422 185 R C -0.690 175.618 176.300 0.012 0.000 1.091 185 R CA 1.169 57.327 56.100 0.096 0.000 1.168 185 R CB -2.055 28.318 30.300 0.123 0.000 1.752 185 R HN 0.500 nan 8.270 nan 0.000 0.547 186 D N -0.059 120.453 120.400 0.187 0.000 3.216 186 D HA 0.144 4.751 4.640 -0.056 0.000 0.348 186 D C -0.911 175.458 176.300 0.116 0.000 1.407 186 D CA -0.103 53.910 54.000 0.022 0.000 0.744 186 D CB 0.756 41.462 40.800 -0.156 0.000 1.264 186 D HN -0.034 nan 8.370 nan 0.000 0.543 187 V N 2.863 122.783 119.914 0.011 0.000 2.370 187 V HA 0.291 4.377 4.120 -0.056 0.000 0.257 187 V C 0.438 176.483 176.094 -0.083 0.000 1.064 187 V CA 0.105 62.297 62.300 -0.180 0.000 0.975 187 V CB 0.086 31.773 31.823 -0.227 0.000 1.067 187 V HN 0.189 nan 8.190 nan 0.000 0.485 188 K N 4.347 124.705 120.400 -0.069 0.000 2.433 188 K HA 0.672 4.959 4.320 -0.056 0.000 0.252 188 K C -2.556 174.049 176.600 0.007 0.000 1.015 188 K CA -2.056 54.221 56.287 -0.016 0.000 0.860 188 K CB 1.475 33.959 32.500 -0.026 0.000 1.359 188 K HN -0.035 nan 8.250 nan 0.000 0.452 189 P HA -0.235 nan 4.420 nan 0.000 0.218 189 P C 0.282 177.631 177.300 0.082 0.000 1.154 189 P CA 1.613 64.828 63.100 0.190 0.000 0.872 189 P CB 0.097 32.058 31.700 0.436 0.000 0.790 190 E N -1.376 118.857 120.200 0.056 0.000 2.338 190 E HA -0.103 4.214 4.350 -0.056 0.000 0.197 190 E C 1.149 177.757 176.600 0.014 0.000 1.007 190 E CA 0.855 57.279 56.400 0.039 0.000 0.849 190 E CB -0.821 28.894 29.700 0.024 0.000 0.774 190 E HN 0.462 nan 8.360 nan 0.000 0.506 191 N N -0.353 118.338 118.700 -0.014 0.000 2.280 191 N HA 0.146 4.852 4.740 -0.056 0.000 0.192 191 N C -0.650 174.815 175.510 -0.075 0.000 1.109 191 N CA -0.123 52.911 53.050 -0.027 0.000 0.855 191 N CB 0.505 38.975 38.487 -0.027 0.000 0.974 191 N HN 0.015 nan 8.380 nan 0.000 0.482 192 L N 2.253 123.414 121.223 -0.104 0.000 2.283 192 L HA 0.466 4.773 4.340 -0.056 0.000 0.281 192 L C -0.874 175.885 176.870 -0.185 0.000 1.033 192 L CA -0.324 54.410 54.840 -0.177 0.000 0.848 192 L CB 0.779 42.690 42.059 -0.246 0.000 1.226 192 L HN -0.074 nan 8.230 nan 0.000 0.429 193 L N 1.942 123.066 121.223 -0.165 0.000 2.323 193 L HA 0.567 4.874 4.340 -0.056 0.000 0.265 193 L C -1.002 175.759 176.870 -0.182 0.000 1.012 193 L CA -0.968 53.806 54.840 -0.110 0.000 0.820 193 L CB 1.850 43.904 42.059 -0.008 0.000 1.334 193 L HN 0.231 nan 8.230 nan 0.000 0.427 194 Y N -0.655 119.640 120.300 -0.008 0.000 2.387 194 Y HA 0.166 4.684 4.550 -0.053 0.000 0.330 194 Y C 1.594 177.492 175.900 -0.002 0.000 1.133 194 Y CA -0.200 57.897 58.100 -0.004 0.000 1.152 194 Y CB 1.923 40.376 38.460 -0.011 0.000 1.215 194 Y HN 0.743 nan 8.280 nan 0.000 0.466 195 T N -2.048 112.615 114.554 0.180 0.000 2.746 195 T HA -0.044 4.272 4.350 -0.056 0.000 0.267 195 T C 0.608 175.348 174.700 0.067 0.000 1.039 195 T CA 1.351 63.504 62.100 0.089 0.000 1.142 195 T CB -0.309 68.593 68.868 0.057 0.000 0.866 195 T HN 0.551 nan 8.240 nan 0.000 0.444 196 S N -0.868 114.877 115.700 0.075 0.000 2.794 196 S HA 0.552 4.989 4.470 -0.056 0.000 0.299 196 S C 0.185 174.786 174.600 0.002 0.000 1.179 196 S CA -1.182 57.035 58.200 0.028 0.000 0.838 196 S CB 2.026 65.230 63.200 0.007 0.000 1.206 196 S HN 0.082 nan 8.310 nan 0.000 0.523 197 K N -0.135 120.252 120.400 -0.021 0.000 2.361 197 K HA 0.176 4.462 4.320 -0.056 0.000 0.196 197 K C 0.092 176.648 176.600 -0.073 0.000 1.039 197 K CA 0.093 56.348 56.287 -0.053 0.000 1.001 197 K CB -0.008 32.472 32.500 -0.033 0.000 0.795 197 K HN 0.454 nan 8.250 nan 0.000 0.495 198 R N 1.795 122.266 120.500 -0.049 0.000 2.638 198 R HA -0.051 4.256 4.340 -0.056 0.000 0.268 198 R C -1.612 174.646 176.300 -0.070 0.000 1.006 198 R CA -0.616 55.456 56.100 -0.047 0.000 1.088 198 R CB 0.026 30.310 30.300 -0.026 0.000 0.950 198 R HN 0.025 nan 8.270 nan 0.000 0.419 199 P HA -0.105 nan 4.420 nan 0.000 0.234 199 P C -0.482 176.779 177.300 -0.066 0.000 1.167 199 P CA 1.086 64.137 63.100 -0.083 0.000 0.763 199 P CB 0.053 31.720 31.700 -0.056 0.000 0.835 200 N N -1.097 117.581 118.700 -0.037 0.000 2.238 200 N HA 0.302 5.009 4.740 -0.056 0.000 0.222 200 N C 0.401 175.922 175.510 0.019 0.000 1.133 200 N CA -0.499 52.547 53.050 -0.007 0.000 0.854 200 N CB -0.101 38.384 38.487 -0.004 0.000 1.041 200 N HN -0.056 nan 8.380 nan 0.000 0.510 201 A N 0.768 123.595 122.820 0.013 0.000 2.466 201 A HA 0.330 4.617 4.320 -0.056 0.000 0.238 201 A C 0.236 177.941 177.584 0.202 0.000 1.074 201 A CA -0.229 51.859 52.037 0.086 0.000 0.774 201 A CB 0.175 19.225 19.000 0.084 0.000 1.015 201 A HN 0.287 nan 8.150 nan 0.000 0.498 202 I N 1.407 122.081 120.570 0.173 0.000 2.396 202 I HA 0.221 4.357 4.170 -0.056 0.000 0.292 202 I C 0.051 176.246 176.117 0.130 0.000 0.999 202 I CA -0.457 60.925 61.300 0.136 0.000 1.310 202 I CB 0.952 38.936 38.000 -0.026 0.000 1.404 202 I HN 0.580 nan 8.210 nan 0.000 0.496 203 L N 7.515 128.759 121.223 0.034 0.000 2.326 203 L HA 0.365 4.672 4.340 -0.056 0.000 0.278 203 L C -0.210 176.619 176.870 -0.068 0.000 1.092 203 L CA 0.327 54.982 54.840 -0.308 0.000 0.810 203 L CB 0.187 41.986 42.059 -0.434 0.000 1.153 203 L HN 0.524 nan 8.230 nan 0.000 0.439 204 K N 4.617 124.938 120.400 -0.131 0.000 2.426 204 K HA 0.499 4.785 4.320 -0.056 0.000 0.251 204 K C -1.634 174.934 176.600 -0.053 0.000 0.941 204 K CA -1.054 55.214 56.287 -0.031 0.000 0.808 204 K CB 2.477 34.976 32.500 -0.002 0.000 1.265 204 K HN 0.432 nan 8.250 nan 0.000 0.432 205 L N 1.682 122.896 121.223 -0.016 0.000 2.307 205 L HA 0.439 4.746 4.340 -0.056 0.000 0.282 205 L C -0.295 176.594 176.870 0.032 0.000 1.051 205 L CA 0.400 55.201 54.840 -0.063 0.000 0.804 205 L CB 1.491 43.467 42.059 -0.138 0.000 1.197 205 L HN 0.851 nan 8.230 nan 0.000 0.431 206 T N 0.100 114.669 114.554 0.025 0.000 2.888 206 T HA 0.576 4.893 4.350 -0.056 0.000 0.288 206 T C -0.760 174.026 174.700 0.145 0.000 1.063 206 T CA -0.651 61.535 62.100 0.143 0.000 1.010 206 T CB 1.359 70.311 68.868 0.139 0.000 1.214 206 T HN 0.740 nan 8.240 nan 0.000 0.533 207 D N -0.213 120.327 120.400 0.234 0.000 4.669 207 D HA -0.151 4.456 4.640 -0.056 0.000 0.240 207 D C -0.938 175.338 176.300 -0.041 0.000 1.111 207 D CA 0.127 54.239 54.000 0.187 0.000 1.179 207 D CB -1.016 39.865 40.800 0.136 0.000 0.750 207 D HN 0.561 nan 8.370 nan 0.000 0.360 208 F N 1.066 121.014 119.950 -0.003 0.000 2.730 208 F HA 0.347 4.837 4.527 -0.061 0.000 0.295 208 F C 2.192 177.972 175.800 -0.033 0.000 1.143 208 F CA 0.258 58.199 58.000 -0.099 0.000 1.367 208 F CB 0.632 39.607 39.000 -0.041 0.000 0.970 208 F HN 0.395 nan 8.300 nan 0.000 0.514 209 G N -0.823 108.052 108.800 0.125 0.000 2.509 209 G HA2 -0.225 3.701 3.960 -0.056 0.000 0.218 209 G HA3 -0.225 3.701 3.960 -0.056 0.000 0.218 209 G C 1.210 176.093 174.900 -0.028 0.000 1.124 209 G CA 0.682 45.835 45.100 0.089 0.000 0.776 209 G HN 0.404 nan 8.290 nan 0.000 0.547 210 F N 0.581 120.462 119.950 -0.114 0.000 2.706 210 F HA 0.536 5.026 4.527 -0.062 0.000 0.313 210 F C 1.586 177.317 175.800 -0.115 0.000 1.096 210 F CA -0.632 57.306 58.000 -0.103 0.000 1.219 210 F CB 0.652 39.587 39.000 -0.109 0.000 1.051 210 F HN 0.131 nan 8.300 nan 0.000 0.568 211 A N 1.645 124.465 122.820 0.001 0.000 2.498 211 A HA 0.338 4.625 4.320 -0.056 0.000 0.239 211 A C 0.122 177.745 177.584 0.066 0.000 1.068 211 A CA 0.208 52.256 52.037 0.018 0.000 0.766 211 A CB 0.281 19.356 19.000 0.125 0.000 1.003 211 A HN 0.271 nan 8.150 nan 0.000 0.497 212 K N 1.524 121.965 120.400 0.068 0.000 2.464 212 K HA 0.299 4.585 4.320 -0.056 0.000 0.253 212 K C -0.798 175.830 176.600 0.047 0.000 0.933 212 K CA -0.479 55.836 56.287 0.046 0.000 0.801 212 K CB 1.672 34.189 32.500 0.029 0.000 1.271 212 K HN 0.868 nan 8.250 nan 0.000 0.430 213 E N 0.782 121.002 120.200 0.034 0.000 2.373 213 E HA 0.006 4.323 4.350 -0.056 0.000 0.267 213 E C 0.515 177.114 176.600 -0.000 0.000 1.032 213 E CA 0.128 56.541 56.400 0.022 0.000 0.889 213 E CB 0.989 30.700 29.700 0.018 0.000 0.984 213 E HN 0.657 nan 8.360 nan 0.000 0.425 214 T N -1.315 113.232 114.554 -0.012 0.000 3.107 214 T HA 0.017 4.334 4.350 -0.056 0.000 0.249 214 T C 0.778 175.457 174.700 -0.035 0.000 1.096 214 T CA 0.015 62.095 62.100 -0.033 0.000 1.012 214 T CB -0.011 68.822 68.868 -0.059 0.000 0.977 214 T HN 0.468 nan 8.240 nan 0.000 0.527 228 Y N -0.340 119.527 120.300 -0.722 0.000 2.584 228 Y HA 0.376 4.891 4.550 -0.058 0.000 0.254 228 Y C 0.668 176.432 175.900 -0.226 0.000 1.177 228 Y CA -0.450 57.450 58.100 -0.334 0.000 1.216 228 Y CB -0.060 38.335 38.460 -0.109 0.000 1.172 228 Y HN 0.328 nan 8.280 nan 0.000 0.529 229 Y N -2.518 117.712 120.300 -0.117 0.000 2.563 229 Y HA 0.456 4.973 4.550 -0.054 0.000 0.250 229 Y C 0.303 176.170 175.900 -0.054 0.000 1.126 229 Y CA -1.481 56.558 58.100 -0.102 0.000 1.231 229 Y CB -0.742 37.605 38.460 -0.187 0.000 1.288 229 Y HN -0.032 nan 8.280 nan 0.000 0.537 230 V N 2.121 121.887 119.914 -0.247 0.000 3.237 230 V HA 0.579 4.666 4.120 -0.056 0.000 0.305 230 V C 0.570 176.655 176.094 -0.015 0.000 1.096 230 V CA -0.150 62.093 62.300 -0.094 0.000 1.130 230 V CB 0.908 32.626 31.823 -0.175 0.000 1.048 230 V HN 0.494 nan 8.190 nan 0.000 0.484 231 A N 4.975 127.800 122.820 0.009 0.000 2.282 231 A HA 0.705 4.991 4.320 -0.056 0.000 0.319 231 A C -1.779 175.809 177.584 0.008 0.000 1.121 231 A CA -1.380 50.668 52.037 0.018 0.000 0.836 231 A CB 0.736 19.753 19.000 0.028 0.000 1.146 231 A HN 0.728 nan 8.150 nan 0.000 0.494 232 P HA -0.098 nan 4.420 nan 0.000 0.220 232 P C 0.593 177.896 177.300 0.006 0.000 1.148 232 P CA 1.367 64.472 63.100 0.010 0.000 0.803 232 P CB 0.202 31.913 31.700 0.018 0.000 0.782 233 E N -0.709 119.497 120.200 0.010 0.000 2.152 233 E HA -0.080 4.237 4.350 -0.056 0.000 0.192 233 E C 1.758 178.358 176.600 0.000 0.000 0.983 233 E CA 0.773 57.177 56.400 0.007 0.000 0.818 233 E CB -1.074 28.633 29.700 0.012 0.000 0.758 233 E HN 0.057 nan 8.360 nan 0.000 0.467 234 V N 1.014 120.928 119.914 0.001 0.000 2.970 234 V HA -0.068 4.018 4.120 -0.056 0.000 0.260 234 V C 1.020 177.108 176.094 -0.010 0.000 1.100 234 V CA 0.850 63.148 62.300 -0.003 0.000 1.122 234 V CB -0.454 31.369 31.823 -0.001 0.000 0.721 234 V HN 0.253 nan 8.190 nan 0.000 0.483 235 L N 1.804 123.020 121.223 -0.012 0.000 2.598 235 L HA 0.601 4.907 4.340 -0.056 0.000 0.241 235 L C 0.732 177.593 176.870 -0.014 0.000 1.244 235 L CA 0.069 54.900 54.840 -0.015 0.000 1.198 235 L CB -0.443 41.606 42.059 -0.016 0.000 1.448 235 L HN 0.365 nan 8.230 nan 0.000 0.406 236 G N 1.384 110.175 108.800 -0.015 0.000 2.777 236 G HA2 -0.152 3.775 3.960 -0.056 0.000 0.686 236 G HA3 -0.152 3.775 3.960 -0.056 0.000 0.686 236 G C -2.362 172.526 174.900 -0.021 0.000 1.177 236 G CA -1.047 44.042 45.100 -0.018 0.000 0.775 236 G HN 0.342 nan 8.290 nan 0.000 0.613 237 P HA 0.117 nan 4.420 nan 0.000 0.198 237 P C 0.584 177.860 177.300 -0.041 0.000 1.043 237 P CA 1.325 64.405 63.100 -0.034 0.000 0.892 237 P CB -0.007 31.668 31.700 -0.041 0.000 0.701 238 E N -1.568 118.600 120.200 -0.054 0.000 7.468 238 E HA -0.120 4.197 4.350 -0.056 0.000 0.282 238 E C -0.028 176.516 176.600 -0.092 0.000 0.816 238 E CA -0.227 56.135 56.400 -0.063 0.000 1.479 238 E CB -0.313 29.360 29.700 -0.044 0.000 0.915 238 E HN 0.260 nan 8.360 nan 0.000 0.264 239 K N 3.794 124.110 120.400 -0.141 0.000 2.918 239 K HA 0.102 4.388 4.320 -0.056 0.000 0.318 239 K C 0.548 177.042 176.600 -0.177 0.000 0.995 239 K CA 0.181 56.299 56.287 -0.283 0.000 1.187 239 K CB -0.110 32.174 32.500 -0.359 0.000 1.413 239 K HN 0.577 nan 8.250 nan 0.000 0.556 240 Y N 0.849 121.132 120.300 -0.029 0.000 2.537 240 Y HA 0.073 4.576 4.550 -0.079 0.000 0.303 240 Y C 1.117 176.997 175.900 -0.033 0.000 1.176 240 Y CA -0.671 57.411 58.100 -0.030 0.000 1.273 240 Y CB -0.092 38.350 38.460 -0.030 0.000 1.110 240 Y HN 0.412 nan 8.280 nan 0.000 0.518 241 D N 1.398 121.828 120.400 0.051 0.000 2.133 241 D HA -0.187 4.419 4.640 -0.056 0.000 0.195 241 D C 1.640 177.949 176.300 0.015 0.000 0.997 241 D CA 1.424 55.440 54.000 0.027 0.000 0.840 241 D CB 0.103 40.897 40.800 -0.011 0.000 0.947 241 D HN 0.437 nan 8.370 nan 0.000 0.452 242 K N 0.669 121.036 120.400 -0.056 0.000 2.062 242 K HA -0.057 4.229 4.320 -0.056 0.000 0.205 242 K C 2.254 178.873 176.600 0.033 0.000 1.051 242 K CA 1.112 57.289 56.287 -0.184 0.000 0.941 242 K CB -0.048 32.191 32.500 -0.435 0.000 0.719 242 K HN 0.070 nan 8.250 nan 0.000 0.440 243 S N 0.379 116.122 115.700 0.071 0.000 2.595 243 S HA -0.138 4.299 4.470 -0.056 0.000 0.235 243 S C 2.088 176.761 174.600 0.122 0.000 0.974 243 S CA 0.950 59.215 58.200 0.109 0.000 0.942 243 S CB -0.699 62.552 63.200 0.085 0.000 0.766 243 S HN 0.467 nan 8.310 nan 0.000 0.536 244 C N 0.952 120.319 119.300 0.111 0.000 2.512 244 C HA 0.136 4.563 4.460 -0.056 0.000 0.276 244 C C 2.072 177.152 174.990 0.151 0.000 1.368 244 C CA 0.426 59.504 59.018 0.099 0.000 1.755 244 C CB -1.043 26.729 27.740 0.054 0.000 2.008 244 C HN 0.484 nan 8.230 nan 0.000 0.511 245 D N 1.112 121.606 120.400 0.156 0.000 2.144 245 D HA -0.092 4.515 4.640 -0.056 0.000 0.199 245 D C 2.186 178.534 176.300 0.079 0.000 0.984 245 D CA 1.273 55.352 54.000 0.131 0.000 0.834 245 D CB -0.312 40.607 40.800 0.198 0.000 0.955 245 D HN 0.394 nan 8.370 nan 0.000 0.465 246 M N -0.413 119.254 119.600 0.111 0.000 2.213 246 M HA -0.130 4.317 4.480 -0.056 0.000 0.263 246 M C 2.060 178.403 176.300 0.073 0.000 1.062 246 M CA 0.722 56.045 55.300 0.039 0.000 1.105 246 M CB -1.145 31.504 32.600 0.081 0.000 1.385 246 M HN 0.327 nan 8.290 nan 0.000 0.417 247 W N 1.325 122.605 121.300 -0.033 0.000 2.354 247 W HA -0.182 4.440 4.660 -0.063 0.000 0.315 247 W C 2.019 178.515 176.519 -0.038 0.000 1.206 247 W CA 1.895 59.221 57.345 -0.031 0.000 1.290 247 W CB -0.576 28.864 29.460 -0.033 0.000 1.152 247 W HN 0.218 nan 8.180 nan 0.000 0.489 248 S N 1.612 117.411 115.700 0.166 0.000 2.380 248 S HA -0.267 4.169 4.470 -0.056 0.000 0.229 248 S C 1.744 176.293 174.600 -0.086 0.000 1.043 248 S CA 1.815 60.036 58.200 0.035 0.000 1.038 248 S CB -0.907 62.318 63.200 0.042 0.000 0.872 248 S HN 0.222 nan 8.310 nan 0.000 0.456 249 L N 1.542 122.694 121.223 -0.117 0.000 2.093 249 L HA 0.037 4.344 4.340 -0.056 0.000 0.208 249 L C 2.373 179.172 176.870 -0.119 0.000 1.085 249 L CA 1.581 56.321 54.840 -0.166 0.000 0.755 249 L CB -1.152 40.703 42.059 -0.341 0.000 0.904 249 L HN 0.362 nan 8.230 nan 0.000 0.435 250 G N -1.649 107.047 108.800 -0.172 0.000 2.402 250 G HA2 -0.165 3.762 3.960 -0.056 0.000 0.216 250 G HA3 -0.165 3.762 3.960 -0.056 0.000 0.216 250 G C 1.546 176.310 174.900 -0.226 0.000 1.162 250 G CA 0.904 45.888 45.100 -0.194 0.000 0.777 250 G HN 0.270 nan 8.290 nan 0.000 0.539 251 V N 1.073 120.780 119.914 -0.346 0.000 2.343 251 V HA -0.128 3.959 4.120 -0.056 0.000 0.247 251 V C 2.759 178.850 176.094 -0.005 0.000 1.051 251 V CA 1.439 63.585 62.300 -0.256 0.000 1.036 251 V CB -0.359 31.313 31.823 -0.251 0.000 0.654 251 V HN 0.372 nan 8.190 nan 0.000 0.451 252 I N -0.748 119.849 120.570 0.045 0.000 2.226 252 I HA -0.308 3.829 4.170 -0.056 0.000 0.245 252 I C 2.483 178.745 176.117 0.241 0.000 1.100 252 I CA 1.872 63.287 61.300 0.191 0.000 1.374 252 I CB -0.243 37.840 38.000 0.138 0.000 1.057 252 I HN 0.312 nan 8.210 nan 0.000 0.413 253 M N -0.476 119.229 119.600 0.174 0.000 2.159 253 M HA -0.280 4.167 4.480 -0.056 0.000 0.263 253 M C 2.428 178.869 176.300 0.236 0.000 1.063 253 M CA 1.888 57.317 55.300 0.215 0.000 1.110 253 M CB -0.218 32.491 32.600 0.182 0.000 1.374 253 M HN 0.225 nan 8.290 nan 0.000 0.411 254 Y N 1.055 121.407 120.300 0.087 0.000 2.114 254 Y HA -0.242 4.274 4.550 -0.056 0.000 0.284 254 Y C 1.858 177.818 175.900 0.100 0.000 1.143 254 Y CA 2.193 60.389 58.100 0.159 0.000 1.135 254 Y CB -0.369 38.053 38.460 -0.063 0.000 0.980 254 Y HN 0.197 nan 8.280 nan 0.000 0.499 255 I N -0.301 120.435 120.570 0.276 0.000 2.286 255 I HA -0.342 3.795 4.170 -0.056 0.000 0.248 255 I C 2.387 178.513 176.117 0.015 0.000 1.115 255 I CA 1.254 62.596 61.300 0.070 0.000 1.392 255 I CB -0.465 37.529 38.000 -0.010 0.000 1.065 255 I HN 0.272 nan 8.210 nan 0.000 0.418 256 L N 0.086 121.447 121.223 0.230 0.000 2.191 256 L HA -0.193 4.114 4.340 -0.056 0.000 0.212 256 L C 2.207 179.195 176.870 0.197 0.000 1.103 256 L CA 1.247 56.293 54.840 0.344 0.000 0.769 256 L CB -0.149 42.161 42.059 0.418 0.000 0.908 256 L HN 0.328 nan 8.230 nan 0.000 0.438 257 L N -1.574 119.613 121.223 -0.060 0.000 2.529 257 L HA -0.046 4.260 4.340 -0.056 0.000 0.223 257 L C 1.940 178.420 176.870 -0.649 0.000 1.113 257 L CA 0.197 54.835 54.840 -0.336 0.000 0.861 257 L CB 0.140 41.894 42.059 -0.508 0.000 1.012 257 L HN 0.500 nan 8.230 nan 0.000 0.461 258 C N -4.773 114.154 119.300 -0.622 0.000 4.272 258 C HA 0.631 5.057 4.460 -0.056 0.000 0.504 258 C C 1.549 176.289 174.990 -0.415 0.000 1.555 258 C CA 0.135 58.729 59.018 -0.706 0.000 2.276 258 C CB 0.668 27.713 27.740 -1.159 0.000 3.414 258 C HN 0.527 nan 8.230 nan 0.000 0.636 259 G N 0.691 109.284 108.800 -0.346 0.000 2.195 259 G HA2 -0.083 3.844 3.960 -0.056 0.000 0.224 259 G HA3 -0.083 3.844 3.960 -0.056 0.000 0.224 259 G C -0.291 174.513 174.900 -0.160 0.000 0.990 259 G CA 0.619 45.574 45.100 -0.242 0.000 0.639 259 G HN 1.419 nan 8.290 nan 0.000 0.514 260 Y N -0.789 119.505 120.300 -0.010 0.000 2.605 260 Y HA 0.870 5.387 4.550 -0.055 0.000 0.343 260 Y C -2.668 173.341 175.900 0.182 0.000 1.036 260 Y CA -3.134 55.013 58.100 0.080 0.000 1.065 260 Y CB 0.914 39.451 38.460 0.130 0.000 1.288 260 Y HN 0.053 nan 8.280 nan 0.000 0.481 261 P HA 0.177 nan 4.420 nan 0.000 0.276 261 P C -2.299 174.751 177.300 -0.417 0.000 1.244 261 P CA -1.787 61.298 63.100 -0.024 0.000 0.801 261 P CB 1.455 33.154 31.700 -0.002 0.000 1.006 262 P HA 0.029 nan 4.420 nan 0.000 0.225 262 P C -0.158 176.388 177.300 -1.257 0.000 1.156 262 P CA 1.070 63.169 63.100 -1.668 0.000 0.787 262 P CB 0.145 30.426 31.700 -2.366 0.000 0.802 263 F N -1.081 118.612 119.950 -0.428 0.000 2.449 263 F HA 0.388 4.881 4.527 -0.057 0.000 0.342 263 F C 0.958 176.669 175.800 -0.147 0.000 1.127 263 F CA -1.111 56.764 58.000 -0.209 0.000 0.975 263 F CB 1.044 39.995 39.000 -0.081 0.000 1.146 263 F HN -0.217 nan 8.300 nan 0.000 0.444 264 Y N 0.500 120.908 120.300 0.181 0.000 2.486 264 Y HA 0.244 4.761 4.550 -0.054 0.000 0.356 264 Y C 1.515 177.474 175.900 0.100 0.000 1.330 264 Y CA 0.150 58.321 58.100 0.118 0.000 1.557 264 Y CB 1.140 39.647 38.460 0.079 0.000 1.647 264 Y HN 0.613 nan 8.280 nan 0.000 0.585 265 S N -1.181 114.706 115.700 0.312 0.000 2.891 265 S HA 0.242 4.678 4.470 -0.056 0.000 0.247 265 S C -0.098 174.562 174.600 0.101 0.000 1.063 265 S CA 0.258 58.555 58.200 0.162 0.000 0.857 265 S CB -0.212 63.060 63.200 0.120 0.000 0.800 265 S HN 0.821 nan 8.310 nan 0.000 0.540 272 S N 3.951 119.669 115.700 0.029 0.000 2.741 272 S HA 0.356 4.793 4.470 -0.056 0.000 0.245 272 S C -1.045 173.573 174.600 0.030 0.000 1.083 272 S CA 0.458 58.680 58.200 0.037 0.000 0.873 272 S CB 0.061 63.279 63.200 0.031 0.000 0.814 272 S HN 0.633 nan 8.310 nan 0.000 0.476 273 P HA 0.095 nan 4.420 nan 0.000 0.230 273 P C 1.144 178.449 177.300 0.010 0.000 1.158 273 P CA 0.828 63.933 63.100 0.009 0.000 0.769 273 P CB -0.517 31.186 31.700 0.005 0.000 0.807 274 G N -0.292 108.521 108.800 0.021 0.000 2.985 274 G HA2 -0.062 3.864 3.960 -0.056 0.000 0.209 274 G HA3 -0.062 3.864 3.960 -0.056 0.000 0.209 274 G C 1.319 176.249 174.900 0.049 0.000 1.165 274 G CA 0.011 45.128 45.100 0.028 0.000 0.776 274 G HN 0.229 nan 8.290 nan 0.000 0.541 275 M N 0.126 119.759 119.600 0.055 0.000 2.156 275 M HA 0.130 4.576 4.480 -0.056 0.000 0.264 275 M C 2.403 178.709 176.300 0.010 0.000 1.067 275 M CA 1.378 56.724 55.300 0.077 0.000 1.131 275 M CB -0.164 32.491 32.600 0.091 0.000 1.368 275 M HN 0.160 nan 8.290 nan 0.000 0.416 276 K N -0.208 120.181 120.400 -0.017 0.000 2.113 276 K HA -0.175 4.111 4.320 -0.056 0.000 0.208 276 K C 1.574 178.126 176.600 -0.079 0.000 1.047 276 K CA 2.222 58.472 56.287 -0.062 0.000 0.928 276 K CB -0.117 32.355 32.500 -0.047 0.000 0.716 276 K HN 0.599 nan 8.250 nan 0.000 0.446 277 T N -1.445 113.085 114.554 -0.040 0.000 2.978 277 T HA 0.026 4.342 4.350 -0.056 0.000 0.262 277 T C 1.733 176.421 174.700 -0.020 0.000 1.063 277 T CA 0.343 62.423 62.100 -0.034 0.000 1.140 277 T CB -0.116 68.746 68.868 -0.011 0.000 0.886 277 T HN 0.217 nan 8.240 nan 0.000 0.470 278 R N 0.545 121.056 120.500 0.018 0.000 2.148 278 R HA 0.165 4.472 4.340 -0.056 0.000 0.227 278 R C 2.202 178.503 176.300 0.002 0.000 1.103 278 R CA 0.915 57.073 56.100 0.098 0.000 0.983 278 R CB -0.503 29.932 30.300 0.225 0.000 0.874 278 R HN 0.447 nan 8.270 nan 0.000 0.451 279 I N 0.768 121.169 120.570 -0.281 0.000 2.277 279 I HA -0.228 3.908 4.170 -0.056 0.000 0.243 279 I C 2.487 178.404 176.117 -0.333 0.000 1.094 279 I CA 1.129 62.023 61.300 -0.677 0.000 1.393 279 I CB -0.168 37.438 38.000 -0.657 0.000 1.078 279 I HN 0.134 nan 8.210 nan 0.000 0.417 280 R N 0.600 120.971 120.500 -0.216 0.000 2.148 280 R HA -0.047 4.260 4.340 -0.056 0.000 0.223 280 R C 1.951 178.211 176.300 -0.067 0.000 1.088 280 R CA 0.996 57.003 56.100 -0.155 0.000 0.985 280 R CB -0.358 29.864 30.300 -0.130 0.000 0.880 280 R HN 0.243 nan 8.270 nan 0.000 0.451 281 M N 0.494 120.082 119.600 -0.021 0.000 2.388 281 M HA 0.150 4.597 4.480 -0.056 0.000 0.265 281 M C 0.907 177.261 176.300 0.090 0.000 1.088 281 M CA 1.275 56.592 55.300 0.028 0.000 1.134 281 M CB -0.172 32.449 32.600 0.035 0.000 1.384 281 M HN 0.600 nan 8.290 nan 0.000 0.447 282 G N 2.184 111.089 108.800 0.175 0.000 2.248 282 G HA2 -0.229 3.697 3.960 -0.056 0.000 0.263 282 G HA3 -0.229 3.697 3.960 -0.056 0.000 0.263 282 G C -0.252 174.852 174.900 0.339 0.000 1.082 282 G CA -0.117 45.207 45.100 0.374 0.000 0.863 282 G HN 0.507 nan 8.290 nan 0.000 0.495 283 Q N -0.400 119.611 119.800 0.352 0.000 2.390 283 Q HA 0.622 4.928 4.340 -0.056 0.000 0.249 283 Q C 0.019 176.156 176.000 0.227 0.000 0.996 283 Q CA -0.610 55.298 55.803 0.175 0.000 0.899 283 Q CB 0.630 29.446 28.738 0.130 0.000 1.216 283 Q HN 0.787 nan 8.270 nan 0.000 0.465 284 Y N -0.539 119.681 120.300 -0.134 0.000 2.705 284 Y HA 0.710 5.227 4.550 -0.056 0.000 0.332 284 Y C -0.909 174.759 175.900 -0.387 0.000 1.221 284 Y CA -1.278 56.592 58.100 -0.384 0.000 1.059 284 Y CB 1.530 39.475 38.460 -0.858 0.000 1.298 284 Y HN 0.323 nan 8.280 nan 0.000 0.459 285 E N -0.004 120.027 120.200 -0.282 0.000 2.459 285 E HA 0.505 4.821 4.350 -0.056 0.000 0.275 285 E C -2.010 174.252 176.600 -0.562 0.000 0.987 285 E CA -1.074 55.080 56.400 -0.410 0.000 0.828 285 E CB 2.448 32.058 29.700 -0.150 0.000 1.428 285 E HN 0.549 nan 8.360 nan 0.000 0.457 286 F N 1.866 121.646 119.950 -0.283 0.000 2.366 286 F HA 0.304 4.797 4.527 -0.058 0.000 0.328 286 F C -2.047 173.656 175.800 -0.162 0.000 1.180 286 F CA -1.781 55.787 58.000 -0.721 0.000 1.232 286 F CB 0.527 39.051 39.000 -0.793 0.000 1.513 286 F HN 0.014 nan 8.300 nan 0.000 0.540 287 P HA 0.081 nan 4.420 nan 0.000 0.274 287 P C -0.351 177.163 177.300 0.355 0.000 1.231 287 P CA -0.276 62.990 63.100 0.276 0.000 0.790 287 P CB 0.840 32.699 31.700 0.265 0.000 0.951 288 N N 2.554 121.379 118.700 0.209 0.000 2.467 288 N HA 0.140 4.846 4.740 -0.056 0.000 0.262 288 N C -1.294 174.277 175.510 0.102 0.000 1.234 288 N CA -1.199 51.937 53.050 0.144 0.000 0.952 288 N CB -0.097 38.448 38.487 0.097 0.000 1.158 288 N HN 0.387 nan 8.380 nan 0.000 0.463 289 P HA 0.091 nan 4.420 nan 0.000 0.240 289 P C 0.295 177.460 177.300 -0.225 0.000 1.190 289 P CA 0.709 63.791 63.100 -0.030 0.000 0.781 289 P CB 0.552 32.263 31.700 0.018 0.000 0.931 290 E N -0.314 119.696 120.200 -0.317 0.000 2.077 290 E HA -0.145 4.172 4.350 -0.056 0.000 0.193 290 E C 1.176 177.498 176.600 -0.463 0.000 0.989 290 E CA 1.390 57.399 56.400 -0.651 0.000 0.800 290 E CB -0.742 28.671 29.700 -0.478 0.000 0.746 290 E HN 0.398 nan 8.360 nan 0.000 0.452 291 W N 0.410 121.638 121.300 -0.120 0.000 3.290 291 W HA 0.124 4.750 4.660 -0.057 0.000 0.287 291 W C 1.814 178.288 176.519 -0.075 0.000 1.288 291 W CA 0.496 57.788 57.345 -0.088 0.000 1.725 291 W CB 0.130 29.591 29.460 0.001 0.000 1.103 291 W HN 0.022 nan 8.180 nan 0.000 0.670 292 S N -0.189 115.574 115.700 0.105 0.000 2.447 292 S HA -0.149 4.287 4.470 -0.056 0.000 0.233 292 S C 1.403 176.026 174.600 0.038 0.000 1.006 292 S CA 1.110 59.353 58.200 0.072 0.000 0.957 292 S CB -0.254 62.980 63.200 0.056 0.000 0.773 292 S HN 0.305 nan 8.310 nan 0.000 0.507 293 E N 1.312 121.521 120.200 0.015 0.000 2.318 293 E HA 0.153 4.470 4.350 -0.056 0.000 0.193 293 E C 0.263 176.856 176.600 -0.010 0.000 0.998 293 E CA 0.094 56.496 56.400 0.004 0.000 0.859 293 E CB -0.268 29.433 29.700 0.002 0.000 0.812 293 E HN 0.351 nan 8.360 nan 0.000 0.492 294 V N 3.840 123.744 119.914 -0.017 0.000 2.521 294 V HA -0.018 4.068 4.120 -0.056 0.000 0.286 294 V C 0.758 176.831 176.094 -0.036 0.000 1.034 294 V CA -0.257 62.025 62.300 -0.031 0.000 1.045 294 V CB 0.784 32.599 31.823 -0.013 0.000 0.974 294 V HN 0.179 nan 8.190 nan 0.000 0.480 295 S N 2.962 118.631 115.700 -0.051 0.000 2.568 295 S HA 0.041 4.478 4.470 -0.056 0.000 0.282 295 S C 1.014 175.540 174.600 -0.125 0.000 1.338 295 S CA -0.153 58.011 58.200 -0.061 0.000 1.045 295 S CB 0.908 64.094 63.200 -0.023 0.000 0.873 295 S HN 0.813 nan 8.310 nan 0.000 0.516 296 E N 1.047 121.184 120.200 -0.105 0.000 2.204 296 E HA -0.200 4.117 4.350 -0.056 0.000 0.195 296 E C 1.791 178.305 176.600 -0.144 0.000 0.990 296 E CA 1.705 58.023 56.400 -0.136 0.000 0.821 296 E CB -0.275 29.375 29.700 -0.083 0.000 0.750 296 E HN 0.857 nan 8.360 nan 0.000 0.477 297 E N -0.537 119.600 120.200 -0.105 0.000 2.110 297 E HA -0.156 4.161 4.350 -0.056 0.000 0.193 297 E C 1.809 178.296 176.600 -0.189 0.000 0.988 297 E CA 1.524 57.881 56.400 -0.072 0.000 0.804 297 E CB 0.161 29.864 29.700 0.006 0.000 0.745 297 E HN 0.247 nan 8.360 nan 0.000 0.458 298 V N 1.059 120.753 119.914 -0.367 0.000 2.407 298 V HA -0.180 3.906 4.120 -0.056 0.000 0.245 298 V C 2.225 178.053 176.094 -0.443 0.000 1.041 298 V CA 1.645 63.564 62.300 -0.635 0.000 1.040 298 V CB -0.409 30.935 31.823 -0.798 0.000 0.671 298 V HN 0.167 nan 8.190 nan 0.000 0.455 299 K N -0.512 119.630 120.400 -0.430 0.000 2.103 299 K HA -0.216 4.071 4.320 -0.056 0.000 0.207 299 K C 2.128 178.547 176.600 -0.301 0.000 1.048 299 K CA 1.755 57.654 56.287 -0.647 0.000 0.930 299 K CB -0.269 31.669 32.500 -0.937 0.000 0.716 299 K HN 0.261 nan 8.250 nan 0.000 0.444 300 M N 0.695 120.180 119.600 -0.193 0.000 2.200 300 M HA -0.065 4.382 4.480 -0.056 0.000 0.265 300 M C 1.844 178.134 176.300 -0.017 0.000 1.066 300 M CA 1.074 56.340 55.300 -0.058 0.000 1.127 300 M CB -0.213 32.372 32.600 -0.025 0.000 1.379 300 M HN 0.098 nan 8.290 nan 0.000 0.420 301 L N -0.127 121.039 121.223 -0.094 0.000 2.017 301 L HA -0.109 4.198 4.340 -0.056 0.000 0.208 301 L C 2.060 178.902 176.870 -0.046 0.000 1.073 301 L CA 1.876 56.642 54.840 -0.123 0.000 0.745 301 L CB -0.694 41.094 42.059 -0.451 0.000 0.894 301 L HN 0.357 nan 8.230 nan 0.000 0.432 302 I N -0.789 119.748 120.570 -0.056 0.000 2.226 302 I HA -0.296 3.841 4.170 -0.056 0.000 0.245 302 I C 2.702 178.878 176.117 0.098 0.000 1.100 302 I CA 1.183 62.505 61.300 0.036 0.000 1.374 302 I CB -0.367 37.711 38.000 0.131 0.000 1.057 302 I HN 0.263 nan 8.210 nan 0.000 0.413 303 R N 0.530 121.146 120.500 0.192 0.000 2.105 303 R HA -0.222 4.085 4.340 -0.056 0.000 0.239 303 R C 1.915 178.313 176.300 0.164 0.000 1.135 303 R CA 1.934 58.185 56.100 0.252 0.000 0.967 303 R CB -0.326 30.110 30.300 0.227 0.000 0.861 303 R HN 0.360 nan 8.270 nan 0.000 0.442 304 N N -0.333 118.435 118.700 0.114 0.000 2.416 304 N HA 0.006 4.713 4.740 -0.056 0.000 0.177 304 N C 1.356 176.932 175.510 0.109 0.000 1.036 304 N CA 0.338 53.454 53.050 0.111 0.000 0.901 304 N CB 0.258 38.810 38.487 0.107 0.000 0.976 304 N HN 0.116 nan 8.380 nan 0.000 0.444 305 L N -0.306 120.963 121.223 0.077 0.000 2.375 305 L HA 0.125 4.432 4.340 -0.056 0.000 0.215 305 L C 0.775 177.659 176.870 0.022 0.000 1.108 305 L CA 0.453 55.325 54.840 0.052 0.000 0.830 305 L CB 0.132 42.191 42.059 0.000 0.000 0.959 305 L HN 0.181 nan 8.230 nan 0.000 0.457 306 L N -0.066 121.140 121.223 -0.028 0.000 2.848 306 L HA 0.152 4.459 4.340 -0.056 0.000 0.240 306 L C 0.321 177.366 176.870 0.292 0.000 1.232 306 L CA -0.093 54.668 54.840 -0.131 0.000 1.031 306 L CB -0.116 41.657 42.059 -0.478 0.000 1.338 306 L HN 0.061 nan 8.230 nan 0.000 0.509 307 K N 0.392 120.961 120.400 0.283 0.000 2.350 307 K HA 0.047 4.334 4.320 -0.056 0.000 0.279 307 K C 1.452 178.232 176.600 0.300 0.000 1.027 307 K CA 0.183 56.626 56.287 0.260 0.000 0.969 307 K CB 1.317 33.913 32.500 0.159 0.000 0.954 307 K HN 0.133 nan 8.250 nan 0.000 0.474 308 T N -1.263 113.419 114.554 0.214 0.000 2.904 308 T HA -0.132 4.185 4.350 -0.056 0.000 0.267 308 T C 0.758 175.429 174.700 -0.049 0.000 1.059 308 T CA 0.508 62.650 62.100 0.070 0.000 1.137 308 T CB 0.024 68.911 68.868 0.032 0.000 0.879 308 T HN 0.482 nan 8.240 nan 0.000 0.467 309 E N 3.849 124.038 120.200 -0.020 0.000 2.166 309 E HA 0.191 4.508 4.350 -0.056 0.000 0.279 309 E C -1.484 175.054 176.600 -0.104 0.000 1.095 309 E CA -2.908 53.444 56.400 -0.081 0.000 0.888 309 E CB 1.127 30.800 29.700 -0.045 0.000 1.041 309 E HN 0.134 nan 8.360 nan 0.000 0.414 310 P HA -0.189 nan 4.420 nan 0.000 0.218 310 P C 0.897 178.122 177.300 -0.126 0.000 1.148 310 P CA 1.542 64.506 63.100 -0.227 0.000 0.822 310 P CB 0.046 31.425 31.700 -0.534 0.000 0.784 311 T N -3.967 110.508 114.554 -0.133 0.000 3.043 311 T HA -0.001 4.316 4.350 -0.056 0.000 0.263 311 T C 1.956 176.662 174.700 0.011 0.000 1.094 311 T CA 0.457 62.538 62.100 -0.032 0.000 1.127 311 T CB -0.728 68.133 68.868 -0.012 0.000 0.905 311 T HN 0.114 nan 8.240 nan 0.000 0.490 312 Q N 0.257 120.062 119.800 0.008 0.000 2.436 312 Q HA 0.139 4.446 4.340 -0.056 0.000 0.209 312 Q C 1.049 177.086 176.000 0.063 0.000 0.965 312 Q CA 0.221 56.046 55.803 0.037 0.000 0.910 312 Q CB 0.096 28.856 28.738 0.038 0.000 0.980 312 Q HN 0.486 nan 8.270 nan 0.000 0.491 313 R N 0.849 121.389 120.500 0.067 0.000 2.539 313 R HA 0.162 4.469 4.340 -0.056 0.000 0.275 313 R C 0.054 176.415 176.300 0.103 0.000 1.077 313 R CA -0.177 55.982 56.100 0.099 0.000 1.097 313 R CB 0.564 30.930 30.300 0.110 0.000 1.018 313 R HN 0.113 nan 8.270 nan 0.000 0.483 314 M N 2.674 122.347 119.600 0.122 0.000 2.249 314 M HA 0.006 4.453 4.480 -0.056 0.000 0.340 314 M C 0.105 176.491 176.300 0.143 0.000 1.166 314 M CA 0.397 55.781 55.300 0.140 0.000 1.115 314 M CB 0.785 33.493 32.600 0.179 0.000 1.606 314 M HN 0.769 nan 8.290 nan 0.000 0.448 315 T N 1.543 116.185 114.554 0.147 0.000 2.847 315 T HA 0.208 4.525 4.350 -0.056 0.000 0.279 315 T C 0.843 175.652 174.700 0.182 0.000 0.984 315 T CA -0.812 61.380 62.100 0.153 0.000 0.988 315 T CB 0.884 69.833 68.868 0.135 0.000 1.040 315 T HN 0.735 nan 8.240 nan 0.000 0.528 316 I N 0.859 121.536 120.570 0.179 0.000 2.493 316 I HA -0.034 4.103 4.170 -0.056 0.000 0.254 316 I C 2.311 178.551 176.117 0.206 0.000 1.160 316 I CA 1.659 63.045 61.300 0.144 0.000 1.445 316 I CB -0.762 37.249 38.000 0.017 0.000 1.086 316 I HN 0.890 nan 8.210 nan 0.000 0.433 317 T N 0.154 114.811 114.554 0.172 0.000 2.812 317 T HA -0.123 4.194 4.350 -0.056 0.000 0.264 317 T C 1.699 176.495 174.700 0.160 0.000 1.042 317 T CA 1.549 63.737 62.100 0.148 0.000 1.140 317 T CB -0.235 68.700 68.868 0.111 0.000 0.870 317 T HN 0.446 nan 8.240 nan 0.000 0.445 318 E N 0.290 120.592 120.200 0.170 0.000 2.153 318 E HA -0.086 4.231 4.350 -0.056 0.000 0.194 318 E C 1.758 178.491 176.600 0.221 0.000 0.988 318 E CA 0.824 57.325 56.400 0.168 0.000 0.811 318 E CB -0.224 29.572 29.700 0.161 0.000 0.746 318 E HN 0.513 nan 8.360 nan 0.000 0.466 319 F N 0.961 120.975 119.950 0.106 0.000 2.128 319 F HA -0.136 4.360 4.527 -0.053 0.000 0.295 319 F C 2.054 177.926 175.800 0.120 0.000 1.100 319 F CA 1.058 59.124 58.000 0.110 0.000 1.260 319 F CB 0.065 39.105 39.000 0.067 0.000 1.009 319 F HN -0.084 nan 8.300 nan 0.000 0.476 320 M N 0.436 120.181 119.600 0.242 0.000 2.460 320 M HA -0.139 4.308 4.480 -0.056 0.000 0.263 320 M C 1.133 177.451 176.300 0.029 0.000 1.071 320 M CA 0.981 56.343 55.300 0.104 0.000 1.096 320 M CB -1.306 31.392 32.600 0.164 0.000 1.408 320 M HN 0.240 nan 8.290 nan 0.000 0.463 321 N N -0.784 117.949 118.700 0.056 0.000 2.373 321 N HA -0.042 4.664 4.740 -0.056 0.000 0.181 321 N C 0.495 176.023 175.510 0.031 0.000 1.082 321 N CA 0.174 53.248 53.050 0.039 0.000 0.885 321 N CB -0.128 38.387 38.487 0.046 0.000 0.977 321 N HN 0.374 nan 8.380 nan 0.000 0.462 322 H N 3.347 122.375 119.070 -0.069 0.000 2.964 322 H HA 0.019 4.540 4.556 -0.058 0.000 0.328 322 H C -1.356 173.951 175.328 -0.035 0.000 1.030 322 H CA -0.820 55.194 56.048 -0.057 0.000 1.445 322 H CB 1.381 31.076 29.762 -0.111 0.000 1.449 322 H HN 0.019 nan 8.280 nan 0.000 0.581 323 P HA -0.187 nan 4.420 nan 0.000 0.218 323 P C 1.542 178.951 177.300 0.181 0.000 1.146 323 P CA 1.140 64.256 63.100 0.026 0.000 0.813 323 P CB -0.156 31.508 31.700 -0.061 0.000 0.778 324 W N 0.434 121.874 121.300 0.234 0.000 2.425 324 W HA -0.072 4.552 4.660 -0.059 0.000 0.277 324 W C 1.910 178.402 176.519 -0.045 0.000 1.231 324 W CA 1.020 58.411 57.345 0.078 0.000 1.248 324 W CB -0.229 29.251 29.460 0.034 0.000 1.117 324 W HN -0.230 nan 8.180 nan 0.000 0.568 325 I N -0.676 119.916 120.570 0.037 0.000 2.556 325 I HA -0.193 3.943 4.170 -0.056 0.000 0.251 325 I C 2.311 178.343 176.117 -0.142 0.000 1.105 325 I CA 0.812 62.004 61.300 -0.181 0.000 1.436 325 I CB -1.377 36.435 38.000 -0.314 0.000 1.139 325 I HN -0.037 nan 8.210 nan 0.000 0.438 326 M N 0.682 120.242 119.600 -0.067 0.000 2.110 326 M HA -0.223 4.224 4.480 -0.056 0.000 0.257 326 M C 0.620 176.878 176.300 -0.070 0.000 1.071 326 M CA 1.853 57.123 55.300 -0.051 0.000 1.096 326 M CB -0.913 31.672 32.600 -0.023 0.000 1.300 326 M HN 0.244 nan 8.290 nan 0.000 0.411 327 Q N -0.345 119.408 119.800 -0.079 0.000 2.730 327 Q HA 0.227 4.533 4.340 -0.056 0.000 0.244 327 Q C 1.018 176.923 176.000 -0.159 0.000 1.176 327 Q CA -0.332 55.416 55.803 -0.092 0.000 1.024 327 Q CB 0.532 29.235 28.738 -0.060 0.000 1.215 327 Q HN 0.189 nan 8.270 nan 0.000 0.542 328 S N 0.088 115.667 115.700 -0.201 0.000 2.387 328 S HA -0.179 4.258 4.470 -0.056 0.000 0.230 328 S C 1.891 176.355 174.600 -0.227 0.000 1.035 328 S CA 1.966 59.993 58.200 -0.289 0.000 1.014 328 S CB -0.177 62.877 63.200 -0.244 0.000 0.836 328 S HN 0.785 nan 8.310 nan 0.000 0.466 329 T N -0.487 113.979 114.554 -0.147 0.000 3.148 329 T HA 0.167 4.484 4.350 -0.056 0.000 0.253 329 T C 1.051 175.697 174.700 -0.091 0.000 1.134 329 T CA 0.432 62.466 62.100 -0.109 0.000 1.051 329 T CB -0.117 68.704 68.868 -0.077 0.000 0.959 329 T HN 0.416 nan 8.240 nan 0.000 0.525 330 K N 1.137 121.479 120.400 -0.097 0.000 2.414 330 K HA 0.306 4.593 4.320 -0.056 0.000 0.204 330 K C -0.430 176.132 176.600 -0.064 0.000 1.026 330 K CA -0.246 56.001 56.287 -0.066 0.000 1.108 330 K CB 0.637 33.108 32.500 -0.048 0.000 0.855 330 K HN 0.192 nan 8.250 nan 0.000 0.517 331 V N 4.479 124.325 119.914 -0.113 0.000 2.498 331 V HA 0.220 4.306 4.120 -0.056 0.000 0.279 331 V C -2.090 173.968 176.094 -0.060 0.000 1.048 331 V CA -1.893 60.347 62.300 -0.099 0.000 0.967 331 V CB 1.099 32.752 31.823 -0.283 0.000 0.988 331 V HN 0.312 nan 8.190 nan 0.000 0.473 332 P HA -0.021 nan 4.420 nan 0.000 0.265 332 P C 0.017 177.294 177.300 -0.038 0.000 1.187 332 P CA 0.113 63.206 63.100 -0.012 0.000 0.766 332 P CB 0.572 32.281 31.700 0.016 0.000 0.820 333 Q N 0.100 119.872 119.800 -0.047 0.000 2.431 333 Q HA -0.011 4.295 4.340 -0.056 0.000 0.210 333 Q C 0.773 176.735 176.000 -0.063 0.000 0.958 333 Q CA 0.355 56.119 55.803 -0.065 0.000 0.957 333 Q CB -0.616 28.089 28.738 -0.055 0.000 1.007 333 Q HN 0.550 nan 8.270 nan 0.000 0.511 334 T N 2.240 116.767 114.554 -0.046 0.000 2.891 334 T HA 0.052 4.369 4.350 -0.056 0.000 0.296 334 T C -2.470 172.194 174.700 -0.060 0.000 1.025 334 T CA -1.030 61.046 62.100 -0.039 0.000 1.149 334 T CB 0.601 69.457 68.868 -0.020 0.000 1.007 334 T HN -0.016 nan 8.240 nan 0.000 0.528 335 P HA 0.401 nan 4.420 nan 0.000 0.284 335 P C -0.844 176.440 177.300 -0.028 0.000 1.253 335 P CA -0.805 62.264 63.100 -0.052 0.000 0.800 335 P CB 0.615 32.287 31.700 -0.047 0.000 0.961 336 L N 2.753 123.966 121.223 -0.015 0.000 2.332 336 L HA 0.341 4.648 4.340 -0.056 0.000 0.269 336 L C 1.536 178.468 176.870 0.103 0.000 1.016 336 L CA -0.550 54.318 54.840 0.046 0.000 0.809 336 L CB -0.155 41.901 42.059 -0.004 0.000 1.280 336 L HN 0.432 nan 8.230 nan 0.000 0.447 337 H N -0.746 118.275 119.070 -0.082 0.000 2.551 337 H HA 0.025 4.547 4.556 -0.056 0.000 0.266 337 H C 1.489 176.792 175.328 -0.040 0.000 0.977 337 H CA 0.828 56.845 56.048 -0.052 0.000 1.163 337 H CB -0.144 29.582 29.762 -0.060 0.000 1.381 337 H HN 0.639 nan 8.280 nan 0.000 0.581 338 T N -0.631 113.975 114.554 0.087 0.000 2.653 338 T HA -0.291 4.025 4.350 -0.056 0.000 0.268 338 T C 2.319 176.993 174.700 -0.044 0.000 1.035 338 T CA 1.823 63.930 62.100 0.011 0.000 1.154 338 T CB -0.462 68.469 68.868 0.106 0.000 0.862 338 T HN 0.377 nan 8.240 nan 0.000 0.441 339 S N 0.233 115.922 115.700 -0.018 0.000 2.365 339 S HA -0.176 4.261 4.470 -0.056 0.000 0.225 339 S C 2.196 176.754 174.600 -0.070 0.000 1.039 339 S CA 1.630 59.787 58.200 -0.071 0.000 1.033 339 S CB -0.214 62.971 63.200 -0.025 0.000 0.887 339 S HN 0.475 nan 8.310 nan 0.000 0.447 340 R N -0.082 120.393 120.500 -0.042 0.000 2.112 340 R HA 0.076 4.383 4.340 -0.056 0.000 0.216 340 R C 2.081 178.357 176.300 -0.040 0.000 1.080 340 R CA 1.068 57.144 56.100 -0.041 0.000 0.996 340 R CB -0.283 29.998 30.300 -0.031 0.000 0.902 340 R HN 0.354 nan 8.270 nan 0.000 0.449 341 V N 1.724 121.630 119.914 -0.013 0.000 2.568 341 V HA -0.231 3.855 4.120 -0.056 0.000 0.253 341 V C 2.145 178.178 176.094 -0.101 0.000 1.072 341 V CA 1.130 63.429 62.300 -0.001 0.000 1.084 341 V CB -0.418 31.453 31.823 0.080 0.000 0.676 341 V HN 0.271 nan 8.190 nan 0.000 0.469 342 L N 0.676 121.794 121.223 -0.175 0.000 2.068 342 L HA -0.083 4.224 4.340 -0.056 0.000 0.204 342 L C 2.577 179.281 176.870 -0.276 0.000 1.076 342 L CA 1.963 56.605 54.840 -0.329 0.000 0.753 342 L CB -0.738 41.123 42.059 -0.330 0.000 0.910 342 L HN 0.453 nan 8.230 nan 0.000 0.439 343 K N -1.105 119.199 120.400 -0.160 0.000 2.103 343 K HA -0.165 4.122 4.320 -0.056 0.000 0.204 343 K C 1.781 178.335 176.600 -0.077 0.000 1.052 343 K CA 1.335 57.558 56.287 -0.107 0.000 0.945 343 K CB -0.531 31.928 32.500 -0.068 0.000 0.722 343 K HN 0.271 nan 8.250 nan 0.000 0.443 344 E N 0.832 120.992 120.200 -0.066 0.000 2.510 344 E HA -0.132 4.184 4.350 -0.056 0.000 0.202 344 E C -0.040 176.539 176.600 -0.034 0.000 1.072 344 E CA 0.473 56.851 56.400 -0.036 0.000 0.883 344 E CB 0.197 29.886 29.700 -0.020 0.000 0.818 344 E HN 0.223 nan 8.360 nan 0.000 0.548 345 D N -0.625 119.733 120.400 -0.069 0.000 2.952 345 D HA 0.085 4.692 4.640 -0.056 0.000 0.373 345 D C 0.469 176.745 176.300 -0.039 0.000 1.360 345 D CA -0.100 53.874 54.000 -0.044 0.000 0.788 345 D CB 0.318 41.086 40.800 -0.054 0.000 1.192 345 D HN -0.097 nan 8.370 nan 0.000 0.462 346 K N 0.261 120.651 120.400 -0.016 0.000 2.211 346 K HA -0.103 4.183 4.320 -0.056 0.000 0.203 346 K C 1.683 178.358 176.600 0.124 0.000 1.050 346 K CA 1.154 57.463 56.287 0.036 0.000 0.945 346 K CB 0.463 32.980 32.500 0.027 0.000 0.732 346 K HN 0.108 nan 8.250 nan 0.000 0.451 347 E N 0.831 121.093 120.200 0.104 0.000 1.998 347 E HA -0.209 4.107 4.350 -0.056 0.000 0.196 347 E C 1.084 177.778 176.600 0.156 0.000 1.003 347 E CA 1.452 57.918 56.400 0.110 0.000 0.829 347 E CB -0.620 29.127 29.700 0.077 0.000 0.777 347 E HN 0.428 nan 8.360 nan 0.000 0.460 348 R N 0.220 120.825 120.500 0.176 0.000 4.160 348 R HA 0.089 4.396 4.340 -0.056 0.000 0.216 348 R C 0.676 177.172 176.300 0.327 0.000 2.009 348 R CA 0.060 56.280 56.100 0.201 0.000 1.664 348 R CB -0.859 29.550 30.300 0.182 0.000 1.216 348 R HN 0.271 nan 8.270 nan 0.000 0.648 349 W N 0.944 122.267 121.300 0.038 0.000 2.075 349 W HA 0.221 4.848 4.660 -0.056 0.000 0.332 349 W C -0.622 175.919 176.519 0.037 0.000 0.905 349 W CA 0.095 57.461 57.345 0.035 0.000 2.126 349 W CB 0.659 30.135 29.460 0.027 0.000 1.143 349 W HN 0.409 nan 8.180 nan 0.000 0.542 350 E N 0.000 120.257 120.200 0.095 0.000 2.725 350 E HA 0.000 4.317 4.350 -0.056 0.000 0.291 350 E CA 0.000 56.429 56.400 0.049 0.000 0.976 350 E CB 0.000 29.744 29.700 0.073 0.000 0.812 350 E HN 0.000 nan 8.360 nan 0.000 0.440