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 2veo_1_B DATA FIRST_RESID 11 DATA SEQUENCE AALPNPYDDP FYTTPSNIGT FAKGQVIQSR KVPTDIGNAN NAASFQLQYR DATA SEQUENCE TTNTQNEAVA DVATVWIPAK PASPPKIFSY QVYEDATALD cAPSYSYLTG DATA SEQUENCE LDQPNKVTAV LDTPIIIGWA LQQGYYVVSS DHEGFKAAFI AGYEEGMAIL DATA SEQUENCE DGIRALKNYQ NLPSDSKVAL EGYSGGAHAT VWATSLADSY APELNIVGAS DATA SEQUENCE HGGTPVSAKD TFTFLNGGPF AGFALAGVSG LSLAHPDMES FIEARLNAKG DATA SEQUENCE QQTLKQIRGR GFcLPQVVLT YPFLNVFSLV NDTNLLNEAP IAGILKQETV DATA SEQUENCE VQAEASYTVS VPKFPRFIWH AIPDEIVPYQ PAATYVKEQc AKGANINFSP DATA SEQUENCE YPIAEHLTAE IFGLVPSLWF IKQAFDGTTP KVIcGTPIPA IAGITTPSAD DATA SEQUENCE QVLGSDLANQ LRSLNGKQSA FGKPFGPITP 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 11 A HA 0.000 nan 4.320 nan 0.000 0.244 11 A C 0.000 177.604 177.584 0.033 0.000 1.274 11 A CA 0.000 52.026 52.037 -0.018 0.000 0.836 11 A CB 0.000 18.899 19.000 -0.169 0.000 0.831 12 A N -0.856 121.976 122.820 0.020 0.000 2.067 12 A HA 0.440 4.759 4.320 -0.001 0.000 0.219 12 A C 0.760 178.376 177.584 0.054 0.000 1.158 12 A CA 1.550 53.605 52.037 0.029 0.000 0.661 12 A CB -0.534 18.474 19.000 0.014 0.000 0.801 12 A HN 0.765 nan 8.150 nan 0.000 0.452 13 L N -0.793 120.496 121.223 0.110 0.000 2.309 13 L HA 0.408 4.747 4.340 -0.001 0.000 0.261 13 L C -2.292 174.687 176.870 0.182 0.000 1.021 13 L CA -2.578 52.338 54.840 0.126 0.000 0.823 13 L CB 2.034 44.172 42.059 0.132 0.000 1.366 13 L HN -0.027 nan 8.230 nan 0.000 0.423 14 P HA -0.013 nan 4.420 nan 0.000 0.272 14 P C -0.862 176.426 177.300 -0.021 0.000 1.240 14 P CA -0.373 62.770 63.100 0.071 0.000 0.791 14 P CB 0.411 32.130 31.700 0.032 0.000 0.978 15 N N 1.547 120.180 118.700 -0.112 0.000 2.357 15 N HA -0.046 4.693 4.740 -0.001 0.000 0.257 15 N C -1.433 173.793 175.510 -0.472 0.000 1.250 15 N CA -0.846 51.945 53.050 -0.432 0.000 0.862 15 N CB 0.277 38.665 38.487 -0.165 0.000 1.066 15 N HN 0.151 nan 8.380 nan 0.000 0.468 16 P HA -0.156 nan 4.420 nan 0.000 0.217 16 P C 0.617 177.582 177.300 -0.559 0.000 1.148 16 P CA 1.471 63.979 63.100 -0.987 0.000 0.834 16 P CB -0.047 30.718 31.700 -1.558 0.000 0.783 17 Y N -0.435 119.645 120.300 -0.366 0.000 2.333 17 Y HA -0.157 4.393 4.550 -0.001 0.000 0.290 17 Y C 1.604 177.418 175.900 -0.144 0.000 1.144 17 Y CA 1.112 59.085 58.100 -0.211 0.000 1.228 17 Y CB -0.542 37.822 38.460 -0.161 0.000 0.985 17 Y HN -0.001 nan 8.280 nan 0.000 0.542 18 D N -0.808 119.595 120.400 0.004 0.000 2.340 18 D HA 0.006 4.645 4.640 -0.001 0.000 0.217 18 D C -0.363 175.941 176.300 0.006 0.000 1.081 18 D CA 0.468 54.471 54.000 0.006 0.000 0.842 18 D CB 0.093 40.893 40.800 0.001 0.000 0.934 18 D HN 0.190 nan 8.370 nan 0.000 0.511 19 D N 0.556 120.958 120.400 0.003 0.000 2.425 19 D HA 0.151 4.790 4.640 -0.001 0.000 0.240 19 D C -1.713 174.644 176.300 0.096 0.000 1.080 19 D CA -2.127 51.926 54.000 0.089 0.000 0.836 19 D CB 2.557 43.476 40.800 0.199 0.000 1.125 19 D HN -0.154 nan 8.370 nan 0.000 0.525 20 P HA -0.084 nan 4.420 nan 0.000 0.230 20 P C 1.430 178.741 177.300 0.019 0.000 1.158 20 P CA 0.221 63.336 63.100 0.025 0.000 0.769 20 P CB 0.088 31.808 31.700 0.034 0.000 0.807 21 F N -0.064 119.845 119.950 -0.068 0.000 2.293 21 F HA -0.090 4.436 4.527 -0.001 0.000 0.300 21 F C 1.170 176.762 175.800 -0.348 0.000 1.086 21 F CA 1.104 59.008 58.000 -0.160 0.000 1.375 21 F CB -0.428 38.483 39.000 -0.147 0.000 1.045 21 F HN -0.174 nan 8.300 nan 0.000 0.516 22 Y N 0.416 120.563 120.300 -0.255 0.000 2.882 22 Y HA 0.217 4.766 4.550 -0.001 0.000 0.361 22 Y C 0.457 175.571 175.900 -1.310 0.000 1.058 22 Y CA -0.260 57.320 58.100 -0.867 0.000 1.575 22 Y CB -0.587 37.513 38.460 -0.599 0.000 1.383 22 Y HN -0.132 nan 8.280 nan 0.000 0.515 23 T N -3.976 110.153 114.554 -0.709 0.000 2.906 23 T HA 0.457 4.806 4.350 -0.001 0.000 0.295 23 T C -0.175 174.476 174.700 -0.082 0.000 1.061 23 T CA -0.946 60.914 62.100 -0.400 0.000 1.000 23 T CB 1.897 70.656 68.868 -0.182 0.000 1.103 23 T HN -0.094 nan 8.240 nan 0.000 0.486 24 T N 4.393 118.987 114.554 0.067 0.000 2.743 24 T HA 0.533 4.882 4.350 -0.001 0.000 0.293 24 T C -1.972 172.738 174.700 0.017 0.000 0.945 24 T CA -0.692 61.459 62.100 0.086 0.000 1.030 24 T CB 0.662 69.596 68.868 0.109 0.000 0.912 24 T HN 0.622 nan 8.240 nan 0.000 0.483 25 P HA 0.300 nan 4.420 nan 0.000 0.274 25 P C 0.614 177.943 177.300 0.050 0.000 1.246 25 P CA -0.448 62.665 63.100 0.020 0.000 0.795 25 P CB 0.800 32.518 31.700 0.029 0.000 1.006 26 S N 0.303 116.035 115.700 0.053 0.000 2.402 26 S HA -0.112 4.358 4.470 -0.001 0.000 0.229 26 S C 1.259 175.900 174.600 0.068 0.000 1.021 26 S CA 1.243 59.473 58.200 0.050 0.000 0.974 26 S CB -0.692 62.530 63.200 0.037 0.000 0.800 26 S HN 0.697 nan 8.310 nan 0.000 0.484 27 N N 1.399 120.162 118.700 0.106 0.000 2.389 27 N HA 0.093 4.832 4.740 -0.001 0.000 0.237 27 N C 0.824 176.472 175.510 0.230 0.000 1.148 27 N CA -0.136 52.984 53.050 0.117 0.000 0.854 27 N CB -0.397 38.140 38.487 0.084 0.000 1.115 27 N HN 0.267 nan 8.380 nan 0.000 0.492 28 I N 0.888 121.587 120.570 0.215 0.000 2.286 28 I HA -0.053 4.116 4.170 -0.001 0.000 0.248 28 I C 2.018 178.287 176.117 0.255 0.000 1.115 28 I CA 1.125 62.584 61.300 0.266 0.000 1.392 28 I CB -0.547 37.510 38.000 0.094 0.000 1.065 28 I HN 0.289 nan 8.210 nan 0.000 0.418 29 G N -1.128 107.749 108.800 0.129 0.000 2.509 29 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.218 29 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.218 29 G C 1.519 176.446 174.900 0.045 0.000 1.124 29 G CA 1.129 46.275 45.100 0.077 0.000 0.776 29 G HN 0.518 nan 8.290 nan 0.000 0.547 30 T N -2.286 112.268 114.554 0.000 0.000 3.113 30 T HA 0.285 4.634 4.350 -0.001 0.000 0.256 30 T C 0.477 175.032 174.700 -0.242 0.000 1.131 30 T CA -0.364 61.645 62.100 -0.151 0.000 1.074 30 T CB -0.244 68.467 68.868 -0.262 0.000 0.944 30 T HN -0.006 nan 8.240 nan 0.000 0.516 31 F N 2.112 122.061 119.950 -0.001 0.000 2.394 31 F HA 0.678 5.205 4.527 -0.001 0.000 0.340 31 F C 0.928 176.733 175.800 0.007 0.000 1.105 31 F CA -1.312 56.690 58.000 0.004 0.000 1.124 31 F CB 0.784 39.786 39.000 0.004 0.000 1.145 31 F HN 0.137 nan 8.300 nan 0.000 0.505 32 A N 3.348 126.279 122.820 0.184 0.000 2.366 32 A HA 0.309 4.628 4.320 -0.001 0.000 0.249 32 A C 0.020 177.675 177.584 0.118 0.000 1.084 32 A CA -0.728 51.372 52.037 0.106 0.000 0.794 32 A CB 0.167 19.205 19.000 0.063 0.000 1.034 32 A HN 0.776 nan 8.150 nan 0.000 0.491 33 K N 0.391 120.831 120.400 0.066 0.000 2.436 33 K HA 0.337 4.656 4.320 -0.001 0.000 0.282 33 K C 1.070 177.714 176.600 0.074 0.000 1.044 33 K CA 1.152 57.481 56.287 0.070 0.000 1.028 33 K CB 0.104 32.586 32.500 -0.029 0.000 0.919 33 K HN 1.377 nan 8.250 nan 0.000 0.474 34 G N 2.156 111.042 108.800 0.143 0.000 2.159 34 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.256 34 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.256 34 G C 0.033 174.986 174.900 0.088 0.000 0.977 34 G CA -0.020 45.141 45.100 0.102 0.000 0.652 34 G HN 0.621 nan 8.290 nan 0.000 0.531 35 Q N 0.397 120.274 119.800 0.128 0.000 2.304 35 Q HA 0.488 4.827 4.340 -0.001 0.000 0.260 35 Q C 0.412 176.482 176.000 0.118 0.000 0.965 35 Q CA -0.517 55.370 55.803 0.140 0.000 0.898 35 Q CB 1.028 29.899 28.738 0.221 0.000 1.196 35 Q HN 0.221 nan 8.270 nan 0.000 0.402 36 V N 7.019 126.996 119.914 0.105 0.000 2.439 36 V HA -0.021 4.098 4.120 -0.001 0.000 0.271 36 V C 1.243 177.344 176.094 0.012 0.000 1.040 36 V CA 0.368 62.709 62.300 0.067 0.000 1.002 36 V CB 0.235 32.123 31.823 0.109 0.000 1.000 36 V HN 0.836 nan 8.190 nan 0.000 0.477 37 I N 3.483 123.942 120.570 -0.185 0.000 2.206 37 I HA -0.047 4.122 4.170 -0.001 0.000 0.239 37 I C 1.110 177.165 176.117 -0.103 0.000 1.078 37 I CA 1.060 62.148 61.300 -0.354 0.000 1.367 37 I CB 0.036 37.608 38.000 -0.713 0.000 1.078 37 I HN 0.805 nan 8.210 nan 0.000 0.413 38 Q N 0.187 119.928 119.800 -0.099 0.000 2.511 38 Q HA 0.617 4.956 4.340 -0.001 0.000 0.289 38 Q C -1.140 174.945 176.000 0.141 0.000 1.021 38 Q CA -0.968 54.861 55.803 0.043 0.000 0.785 38 Q CB 2.176 30.955 28.738 0.068 0.000 1.472 38 Q HN 0.160 nan 8.270 nan 0.000 0.411 39 S N 0.148 115.980 115.700 0.219 0.000 2.595 39 S HA 0.898 5.367 4.470 -0.001 0.000 0.281 39 S C -1.091 173.623 174.600 0.190 0.000 1.117 39 S CA -1.012 57.307 58.200 0.198 0.000 0.873 39 S CB 2.068 65.274 63.200 0.010 0.000 1.108 39 S HN 0.896 nan 8.310 nan 0.000 0.477 40 R N 0.384 120.946 120.500 0.103 0.000 2.626 40 R HA 0.558 4.897 4.340 -0.001 0.000 0.274 40 R C -1.400 174.971 176.300 0.119 0.000 1.031 40 R CA -1.005 55.121 56.100 0.044 0.000 0.898 40 R CB 1.513 31.698 30.300 -0.191 0.000 1.222 40 R HN 0.674 nan 8.270 nan 0.000 0.455 41 K N 2.176 122.669 120.400 0.155 0.000 2.368 41 K HA 0.244 4.563 4.320 -0.001 0.000 0.282 41 K C -0.332 176.164 176.600 -0.173 0.000 1.035 41 K CA -0.470 55.771 56.287 -0.075 0.000 0.973 41 K CB 0.974 33.438 32.500 -0.060 0.000 0.957 41 K HN 0.545 nan 8.250 nan 0.000 0.474 42 V N 1.941 121.690 119.914 -0.276 0.000 2.735 42 V HA 0.660 4.780 4.120 -0.001 0.000 0.310 42 V C -2.723 173.269 176.094 -0.171 0.000 1.061 42 V CA -2.626 59.565 62.300 -0.182 0.000 0.913 42 V CB 1.453 33.189 31.823 -0.145 0.000 1.005 42 V HN 0.733 nan 8.190 nan 0.000 0.428 43 P HA 0.457 nan 4.420 nan 0.000 0.293 43 P C -0.386 176.921 177.300 0.011 0.000 1.300 43 P CA 0.216 63.288 63.100 -0.046 0.000 0.792 43 P CB 1.181 32.866 31.700 -0.025 0.000 0.925 44 T N -1.457 113.133 114.554 0.061 0.000 2.907 44 T HA 0.326 4.675 4.350 -0.001 0.000 0.292 44 T C 0.661 175.455 174.700 0.157 0.000 1.043 44 T CA -0.679 61.523 62.100 0.169 0.000 1.003 44 T CB 1.421 70.495 68.868 0.343 0.000 1.084 44 T HN 0.157 nan 8.240 nan 0.000 0.483 45 D N 0.758 121.251 120.400 0.156 0.000 2.117 45 D HA -0.060 4.579 4.640 -0.001 0.000 0.197 45 D C 1.920 178.266 176.300 0.077 0.000 0.987 45 D CA 1.178 55.237 54.000 0.098 0.000 0.829 45 D CB 0.119 40.973 40.800 0.090 0.000 0.961 45 D HN 0.561 nan 8.370 nan 0.000 0.460 46 I N 1.349 121.976 120.570 0.096 0.000 2.315 46 I HA -0.149 4.021 4.170 -0.001 0.000 0.248 46 I C 2.674 178.781 176.117 -0.018 0.000 1.117 46 I CA 1.146 62.413 61.300 -0.055 0.000 1.404 46 I CB -0.396 37.417 38.000 -0.313 0.000 1.071 46 I HN -0.010 nan 8.210 nan 0.000 0.419 47 G N 0.954 109.880 108.800 0.209 0.000 2.433 47 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.216 47 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.216 47 G C 1.435 176.385 174.900 0.083 0.000 1.186 47 G CA 0.827 46.064 45.100 0.230 0.000 0.779 47 G HN 0.292 nan 8.290 nan 0.000 0.543 48 N N 1.290 120.025 118.700 0.060 0.000 2.166 48 N HA -0.054 4.685 4.740 -0.001 0.000 0.186 48 N C 2.331 177.843 175.510 0.004 0.000 1.019 48 N CA 1.281 54.346 53.050 0.024 0.000 0.856 48 N CB -0.487 38.013 38.487 0.022 0.000 0.993 48 N HN 0.326 nan 8.380 nan 0.000 0.426 49 A N 0.318 123.136 122.820 -0.004 0.000 2.066 49 A HA 0.041 4.360 4.320 -0.001 0.000 0.218 49 A C 1.556 179.113 177.584 -0.045 0.000 1.157 49 A CA 0.873 52.894 52.037 -0.026 0.000 0.670 49 A CB -0.024 18.956 19.000 -0.033 0.000 0.804 49 A HN 0.232 nan 8.150 nan 0.000 0.453 50 N N -0.562 118.107 118.700 -0.051 0.000 2.177 50 N HA -0.012 4.727 4.740 -0.001 0.000 0.218 50 N C -0.176 175.303 175.510 -0.051 0.000 1.182 50 N CA 0.243 53.249 53.050 -0.073 0.000 0.882 50 N CB 0.299 38.713 38.487 -0.121 0.000 1.052 50 N HN 0.430 nan 8.380 nan 0.000 0.519 51 N N 1.261 119.947 118.700 -0.024 0.000 2.725 51 N HA -0.216 4.524 4.740 -0.001 0.000 0.251 51 N C -1.195 174.316 175.510 0.002 0.000 1.031 51 N CA 0.671 53.714 53.050 -0.013 0.000 0.720 51 N CB -1.027 37.445 38.487 -0.025 0.000 0.930 51 N HN 0.351 nan 8.380 nan 0.000 0.543 52 A N -0.106 122.736 122.820 0.036 0.000 2.330 52 A HA 0.847 5.167 4.320 -0.001 0.000 0.313 52 A C 0.248 177.903 177.584 0.117 0.000 1.124 52 A CA -0.100 51.989 52.037 0.088 0.000 0.774 52 A CB 1.304 20.377 19.000 0.121 0.000 1.198 52 A HN 0.818 nan 8.150 nan 0.000 0.465 53 A N 2.296 125.171 122.820 0.091 0.000 2.450 53 A HA 0.566 4.885 4.320 -0.001 0.000 0.255 53 A C 0.668 178.182 177.584 -0.117 0.000 1.096 53 A CA 0.420 52.438 52.037 -0.032 0.000 0.778 53 A CB -0.291 18.756 19.000 0.079 0.000 1.031 53 A HN 1.747 nan 8.150 nan 0.000 0.494 54 S N 1.404 116.846 115.700 -0.430 0.000 2.503 54 S HA 0.866 5.335 4.470 -0.001 0.000 0.301 54 S C -0.782 173.321 174.600 -0.828 0.000 1.087 54 S CA -0.558 57.300 58.200 -0.571 0.000 1.042 54 S CB 0.906 63.746 63.200 -0.600 0.000 1.043 54 S HN 0.438 nan 8.310 nan 0.000 0.489 55 F N 0.179 119.952 119.950 -0.294 0.000 2.576 55 F HA 0.486 5.012 4.527 -0.001 0.000 0.313 55 F C 0.244 175.875 175.800 -0.282 0.000 1.078 55 F CA -0.829 57.028 58.000 -0.238 0.000 0.921 55 F CB 2.157 41.022 39.000 -0.225 0.000 1.232 55 F HN 0.498 nan 8.300 nan 0.000 0.459 56 Q N 2.687 122.468 119.800 -0.030 0.000 2.290 56 Q HA 0.608 4.947 4.340 -0.001 0.000 0.259 56 Q C -1.292 174.776 176.000 0.113 0.000 0.941 56 Q CA -0.607 55.198 55.803 0.004 0.000 0.912 56 Q CB 2.032 30.731 28.738 -0.065 0.000 1.244 56 Q HN 0.527 nan 8.270 nan 0.000 0.441 57 L N 2.493 123.786 121.223 0.116 0.000 2.305 57 L HA 0.390 4.729 4.340 -0.001 0.000 0.284 57 L C -0.179 176.791 176.870 0.167 0.000 1.013 57 L CA -0.565 54.329 54.840 0.091 0.000 0.819 57 L CB 1.545 43.566 42.059 -0.063 0.000 1.227 57 L HN 0.473 nan 8.230 nan 0.000 0.417 58 Q N 4.033 123.806 119.800 -0.044 0.000 2.314 58 Q HA 0.331 4.670 4.340 -0.001 0.000 0.257 58 Q C -1.607 174.289 176.000 -0.173 0.000 0.975 58 Q CA -0.454 55.131 55.803 -0.364 0.000 0.933 58 Q CB 0.922 29.115 28.738 -0.909 0.000 1.195 58 Q HN 0.558 nan 8.270 nan 0.000 0.426 59 Y N 0.999 121.142 120.300 -0.261 0.000 2.576 59 Y HA 0.596 5.145 4.550 -0.001 0.000 0.346 59 Y C -1.041 174.726 175.900 -0.223 0.000 1.018 59 Y CA -1.524 56.448 58.100 -0.215 0.000 1.050 59 Y CB 0.911 39.300 38.460 -0.119 0.000 1.280 59 Y HN 0.341 nan 8.280 nan 0.000 0.474 60 R N 2.168 122.625 120.500 -0.071 0.000 2.340 60 R HA 0.470 4.810 4.340 -0.001 0.000 0.300 60 R C -0.816 175.513 176.300 0.049 0.000 1.069 60 R CA 0.442 56.490 56.100 -0.086 0.000 0.984 60 R CB 1.203 31.521 30.300 0.030 0.000 1.003 60 R HN 1.089 nan 8.270 nan 0.000 0.459 61 T N 0.885 115.402 114.554 -0.062 0.000 2.626 61 T HA 0.544 4.894 4.350 -0.001 0.000 0.279 61 T C -1.066 173.653 174.700 0.032 0.000 0.983 61 T CA -0.275 61.862 62.100 0.060 0.000 1.059 61 T CB 1.412 70.303 68.868 0.038 0.000 1.396 61 T HN 0.528 nan 8.240 nan 0.000 0.519 62 T N 2.877 117.461 114.554 0.050 0.000 2.861 62 T HA 0.564 4.913 4.350 -0.001 0.000 0.287 62 T C -0.427 174.221 174.700 -0.086 0.000 1.003 62 T CA -0.934 61.172 62.100 0.009 0.000 0.977 62 T CB 1.233 70.166 68.868 0.108 0.000 0.996 62 T HN 0.773 nan 8.240 nan 0.000 0.448 63 N N 0.382 119.025 118.700 -0.094 0.000 2.448 63 N HA 0.249 4.989 4.740 -0.001 0.000 0.274 63 N C 1.020 176.442 175.510 -0.147 0.000 1.239 63 N CA -0.640 52.334 53.050 -0.127 0.000 0.982 63 N CB -0.395 38.020 38.487 -0.120 0.000 1.199 63 N HN 0.347 nan 8.380 nan 0.000 0.576 64 T N -0.471 113.969 114.554 -0.191 0.000 2.849 64 T HA -0.095 4.255 4.350 -0.001 0.000 0.270 64 T C 0.793 175.339 174.700 -0.256 0.000 1.066 64 T CA 1.225 63.167 62.100 -0.263 0.000 1.130 64 T CB -0.187 68.434 68.868 -0.411 0.000 0.864 64 T HN 0.452 nan 8.240 nan 0.000 0.481 65 Q N 0.956 120.641 119.800 -0.191 0.000 2.247 65 Q HA 0.205 4.544 4.340 -0.001 0.000 0.205 65 Q C 0.600 176.541 176.000 -0.097 0.000 0.896 65 Q CA -0.090 55.629 55.803 -0.140 0.000 0.950 65 Q CB -0.324 28.349 28.738 -0.109 0.000 1.054 65 Q HN 0.444 nan 8.270 nan 0.000 0.482 66 N N 1.355 119.998 118.700 -0.095 0.000 2.741 66 N HA -0.195 4.544 4.740 -0.001 0.000 0.250 66 N C -1.221 174.275 175.510 -0.024 0.000 1.115 66 N CA 0.719 53.740 53.050 -0.048 0.000 0.724 66 N CB -0.579 37.885 38.487 -0.039 0.000 1.090 66 N HN 0.389 nan 8.380 nan 0.000 0.558 67 E N -0.078 120.100 120.200 -0.036 0.000 2.231 67 E HA 0.570 4.920 4.350 -0.001 0.000 0.277 67 E C 0.082 176.673 176.600 -0.014 0.000 0.999 67 E CA -0.283 56.105 56.400 -0.022 0.000 0.827 67 E CB 0.962 30.644 29.700 -0.029 0.000 1.101 67 E HN 0.386 nan 8.360 nan 0.000 0.393 68 A N 2.459 125.282 122.820 0.004 0.000 2.492 68 A HA 0.373 4.692 4.320 -0.001 0.000 0.254 68 A C 0.048 177.621 177.584 -0.018 0.000 1.091 68 A CA -0.341 51.703 52.037 0.011 0.000 0.768 68 A CB -0.251 18.773 19.000 0.041 0.000 1.028 68 A HN 0.408 nan 8.150 nan 0.000 0.498 69 V N -0.632 119.244 119.914 -0.063 0.000 3.130 69 V HA 0.944 5.064 4.120 -0.001 0.000 0.310 69 V C 0.135 176.092 176.094 -0.229 0.000 1.158 69 V CA -0.551 61.676 62.300 -0.121 0.000 1.029 69 V CB 1.235 32.964 31.823 -0.157 0.000 1.057 69 V HN 1.581 nan 8.190 nan 0.000 0.436 70 A N 1.187 123.839 122.820 -0.279 0.000 2.279 70 A HA 0.872 5.191 4.320 -0.001 0.000 0.303 70 A C -0.561 176.415 177.584 -1.012 0.000 1.108 70 A CA -0.114 51.650 52.037 -0.454 0.000 0.830 70 A CB 1.134 20.024 19.000 -0.183 0.000 1.106 70 A HN 1.108 nan 8.150 nan 0.000 0.493 71 D N -1.067 118.654 120.400 -1.132 0.000 2.626 71 D HA 0.595 5.234 4.640 -0.001 0.000 0.278 71 D C -1.585 174.243 176.300 -0.787 0.000 1.211 71 D CA -0.134 53.098 54.000 -1.279 0.000 0.903 71 D CB 2.124 42.282 40.800 -1.071 0.000 1.408 71 D HN 0.303 nan 8.370 nan 0.000 0.454 72 V N 0.532 120.268 119.914 -0.296 0.000 2.604 72 V HA 0.889 5.009 4.120 -0.001 0.000 0.305 72 V C -0.214 176.053 176.094 0.289 0.000 1.043 72 V CA -0.632 61.691 62.300 0.039 0.000 0.888 72 V CB 1.220 33.050 31.823 0.012 0.000 0.995 72 V HN 0.731 nan 8.190 nan 0.000 0.429 73 A N 2.838 125.880 122.820 0.370 0.000 2.413 73 A HA 0.899 5.218 4.320 -0.001 0.000 0.307 73 A C -0.287 177.368 177.584 0.119 0.000 1.087 73 A CA -0.597 51.599 52.037 0.264 0.000 0.750 73 A CB 1.844 20.942 19.000 0.163 0.000 1.296 73 A HN 0.685 nan 8.150 nan 0.000 0.423 74 T N 1.375 115.960 114.554 0.051 0.000 2.794 74 T HA 0.583 4.932 4.350 -0.001 0.000 0.280 74 T C -0.177 174.300 174.700 -0.371 0.000 0.987 74 T CA -0.306 61.649 62.100 -0.241 0.000 0.993 74 T CB 0.995 69.626 68.868 -0.396 0.000 0.939 74 T HN 1.422 nan 8.240 nan 0.000 0.449 75 V N 0.230 119.889 119.914 -0.425 0.000 2.680 75 V HA 0.737 4.856 4.120 -0.001 0.000 0.309 75 V C -1.309 174.628 176.094 -0.261 0.000 1.052 75 V CA -1.101 61.099 62.300 -0.166 0.000 0.908 75 V CB 1.995 33.848 31.823 0.050 0.000 1.001 75 V HN 0.868 nan 8.190 nan 0.000 0.431 76 W N 4.097 125.492 121.300 0.159 0.000 2.587 76 W HA 0.624 5.283 4.660 -0.002 0.000 0.324 76 W C -1.074 175.550 176.519 0.175 0.000 1.040 76 W CA -0.802 56.617 57.345 0.124 0.000 1.222 76 W CB 2.234 31.712 29.460 0.031 0.000 1.381 76 W HN 0.461 nan 8.180 nan 0.000 0.483 77 I N 5.294 126.081 120.570 0.362 0.000 2.312 77 I HA 0.206 4.375 4.170 -0.001 0.000 0.290 77 I C -1.837 174.315 176.117 0.059 0.000 1.008 77 I CA -3.077 58.367 61.300 0.239 0.000 1.226 77 I CB 0.425 38.627 38.000 0.337 0.000 1.371 77 I HN -0.058 nan 8.210 nan 0.000 0.468 78 P HA 0.081 nan 4.420 nan 0.000 0.268 78 P C 0.646 177.872 177.300 -0.123 0.000 1.205 78 P CA -0.097 62.903 63.100 -0.166 0.000 0.771 78 P CB 1.153 32.672 31.700 -0.302 0.000 0.858 79 A N 4.427 127.195 122.820 -0.085 0.000 1.908 79 A HA -0.157 4.162 4.320 -0.001 0.000 0.218 79 A C 0.962 178.502 177.584 -0.074 0.000 1.181 79 A CA 1.510 53.514 52.037 -0.057 0.000 0.627 79 A CB -0.551 18.419 19.000 -0.051 0.000 0.818 79 A HN 0.558 nan 8.150 nan 0.000 0.445 80 K N 0.553 120.886 120.400 -0.111 0.000 2.530 80 K HA 0.361 4.680 4.320 -0.001 0.000 0.230 80 K C -2.972 173.532 176.600 -0.160 0.000 1.002 80 K CA -1.828 54.393 56.287 -0.111 0.000 1.014 80 K CB 1.340 33.781 32.500 -0.098 0.000 1.286 80 K HN 0.147 nan 8.250 nan 0.000 0.480 81 P HA 0.009 nan 4.420 nan 0.000 0.271 81 P C -0.571 176.650 177.300 -0.132 0.000 1.218 81 P CA -0.254 62.695 63.100 -0.250 0.000 0.780 81 P CB 0.740 32.280 31.700 -0.265 0.000 0.901 82 A N 2.209 124.954 122.820 -0.126 0.000 2.407 82 A HA 0.428 4.748 4.320 -0.001 0.000 0.248 82 A C 0.366 177.951 177.584 0.001 0.000 1.082 82 A CA 0.077 52.074 52.037 -0.067 0.000 0.785 82 A CB -0.075 18.883 19.000 -0.070 0.000 1.020 82 A HN 0.445 nan 8.150 nan 0.000 0.489 83 S N 2.380 118.079 115.700 -0.001 0.000 2.478 83 S HA 0.671 5.141 4.470 -0.001 0.000 0.312 83 S C -2.180 172.428 174.600 0.013 0.000 1.094 83 S CA -1.261 56.950 58.200 0.019 0.000 1.081 83 S CB 0.601 63.809 63.200 0.013 0.000 1.007 83 S HN 0.724 nan 8.310 nan 0.000 0.475 84 P HA 0.403 nan 4.420 nan 0.000 0.274 84 P C -2.925 174.403 177.300 0.048 0.000 1.246 84 P CA -1.560 61.559 63.100 0.032 0.000 0.795 84 P CB -0.749 30.968 31.700 0.027 0.000 1.006 85 P HA 0.124 nan 4.420 nan 0.000 0.262 85 P C -0.510 176.839 177.300 0.081 0.000 1.182 85 P CA 0.610 63.796 63.100 0.143 0.000 0.761 85 P CB 0.259 31.996 31.700 0.061 0.000 0.795 86 K N 3.184 123.638 120.400 0.089 0.000 2.397 86 K HA 0.545 4.864 4.320 -0.001 0.000 0.253 86 K C -0.580 176.031 176.600 0.017 0.000 0.932 86 K CA -0.582 55.604 56.287 -0.168 0.000 0.795 86 K CB 1.700 33.711 32.500 -0.815 0.000 1.159 86 K HN 0.351 nan 8.250 nan 0.000 0.424 87 I N 3.177 123.834 120.570 0.144 0.000 2.362 87 I HA 0.308 4.478 4.170 -0.001 0.000 0.289 87 I C -0.893 175.479 176.117 0.425 0.000 0.994 87 I CA -0.741 60.728 61.300 0.282 0.000 1.158 87 I CB 0.867 38.982 38.000 0.190 0.000 1.315 87 I HN 0.486 nan 8.210 nan 0.000 0.451 88 F N 6.312 126.442 119.950 0.301 0.000 2.375 88 F HA 0.439 4.966 4.527 -0.001 0.000 0.361 88 F C 0.206 176.210 175.800 0.339 0.000 1.117 88 F CA -0.233 57.982 58.000 0.359 0.000 1.037 88 F CB 1.256 40.508 39.000 0.418 0.000 1.192 88 F HN 0.345 nan 8.300 nan 0.000 0.452 89 S N 6.715 122.364 115.700 -0.085 0.000 2.410 89 S HA 0.307 4.776 4.470 -0.001 0.000 0.304 89 S C -1.262 173.306 174.600 -0.052 0.000 1.095 89 S CA -0.305 57.910 58.200 0.026 0.000 1.089 89 S CB -0.029 63.189 63.200 0.030 0.000 0.968 89 S HN 0.605 nan 8.310 nan 0.000 0.480 90 Y N 4.332 124.683 120.300 0.085 0.000 2.341 90 Y HA 0.586 5.135 4.550 -0.001 0.000 0.337 90 Y C -0.543 175.506 175.900 0.248 0.000 1.014 90 Y CA -0.616 57.592 58.100 0.180 0.000 1.111 90 Y CB 1.206 39.917 38.460 0.417 0.000 1.194 90 Y HN 0.514 nan 8.280 nan 0.000 0.462 91 Q N 4.755 124.255 119.800 -0.500 0.000 2.333 91 Q HA 0.482 4.821 4.340 -0.001 0.000 0.268 91 Q C -0.966 174.707 176.000 -0.546 0.000 1.007 91 Q CA -0.787 54.817 55.803 -0.331 0.000 0.810 91 Q CB 1.766 30.362 28.738 -0.236 0.000 1.264 91 Q HN 0.609 nan 8.270 nan 0.000 0.452 92 V N 0.048 119.852 119.914 -0.183 0.000 2.785 92 V HA 0.437 4.556 4.120 -0.001 0.000 0.300 92 V C -0.364 175.759 176.094 0.048 0.000 1.062 92 V CA -0.888 61.316 62.300 -0.161 0.000 1.029 92 V CB 0.290 32.086 31.823 -0.045 0.000 1.024 92 V HN 0.710 nan 8.190 nan 0.000 0.477 93 Y N 0.045 120.473 120.300 0.213 0.000 2.570 93 Y HA 0.453 5.003 4.550 -0.001 0.000 0.336 93 Y C 1.286 177.275 175.900 0.149 0.000 1.284 93 Y CA -0.493 57.736 58.100 0.216 0.000 1.761 93 Y CB -0.533 38.089 38.460 0.270 0.000 1.724 93 Y HN 0.880 nan 8.280 nan 0.000 0.455 94 E N 1.827 122.167 120.200 0.234 0.000 2.051 94 E HA -0.244 4.106 4.350 -0.001 0.000 0.192 94 E C -0.027 176.586 176.600 0.021 0.000 0.991 94 E CA 1.201 57.662 56.400 0.102 0.000 0.799 94 E CB -0.048 29.683 29.700 0.051 0.000 0.748 94 E HN 0.809 nan 8.360 nan 0.000 0.449 95 D N 0.085 120.425 120.400 -0.099 0.000 2.697 95 D HA -0.200 4.439 4.640 -0.001 0.000 0.235 95 D C -0.971 175.077 176.300 -0.421 0.000 1.167 95 D CA 1.176 54.801 54.000 -0.625 0.000 0.656 95 D CB -1.293 39.281 40.800 -0.376 0.000 1.025 95 D HN 0.339 nan 8.370 nan 0.000 0.419 96 A N -0.752 121.880 122.820 -0.313 0.000 2.612 96 A HA 0.769 5.088 4.320 -0.001 0.000 0.293 96 A C 0.370 177.990 177.584 0.059 0.000 1.075 96 A CA -0.138 51.871 52.037 -0.046 0.000 0.680 96 A CB 1.442 20.471 19.000 0.048 0.000 1.279 96 A HN 0.298 nan 8.150 nan 0.000 0.411 97 T N -1.539 113.095 114.554 0.135 0.000 3.316 97 T HA 0.656 5.005 4.350 -0.001 0.000 0.253 97 T C -0.032 174.757 174.700 0.147 0.000 0.995 97 T CA 0.463 62.653 62.100 0.150 0.000 1.031 97 T CB -0.172 68.789 68.868 0.155 0.000 1.125 97 T HN 1.932 nan 8.240 nan 0.000 0.539 98 A N 1.121 124.033 122.820 0.153 0.000 2.414 98 A HA 0.756 5.075 4.320 -0.001 0.000 0.306 98 A C 0.768 178.406 177.584 0.090 0.000 1.054 98 A CA -0.830 51.321 52.037 0.190 0.000 0.724 98 A CB 1.317 20.468 19.000 0.253 0.000 1.267 98 A HN 0.356 nan 8.150 nan 0.000 0.418 99 L N 1.341 122.537 121.223 -0.045 0.000 2.042 99 L HA -0.105 4.235 4.340 -0.001 0.000 0.210 99 L C 1.788 178.467 176.870 -0.318 0.000 1.076 99 L CA 2.895 57.526 54.840 -0.348 0.000 0.749 99 L CB -0.378 41.123 42.059 -0.931 0.000 0.893 99 L HN 0.835 nan 8.230 nan 0.000 0.432 100 D N -1.988 118.282 120.400 -0.217 0.000 2.352 100 D HA -0.109 4.530 4.640 -0.001 0.000 0.232 100 D C 1.529 177.872 176.300 0.071 0.000 1.055 100 D CA 0.601 54.504 54.000 -0.160 0.000 0.891 100 D CB -1.143 39.612 40.800 -0.075 0.000 0.897 100 D HN 0.405 nan 8.370 nan 0.000 0.529 101 c N 0.416 119.049 118.600 0.056 0.000 2.697 101 c HA 0.545 5.115 4.570 -0.001 0.000 0.267 101 c C 1.457 175.580 174.090 0.055 0.000 1.278 101 c CA -0.623 55.750 56.329 0.074 0.000 1.708 101 c CB -1.435 41.112 42.510 0.062 0.000 1.860 101 c HN 0.454 nan 8.230 nan 0.000 0.589 102 A N 2.587 125.435 122.820 0.048 0.000 2.565 102 A HA 0.205 4.525 4.320 -0.001 0.000 0.237 102 A C -0.791 176.852 177.584 0.098 0.000 1.053 102 A CA -0.211 51.873 52.037 0.077 0.000 0.755 102 A CB -0.013 19.064 19.000 0.128 0.000 0.980 102 A HN 0.301 nan 8.150 nan 0.000 0.506 103 P HA -0.238 nan 4.420 nan 0.000 0.215 103 P C 1.881 179.232 177.300 0.084 0.000 1.157 103 P CA 2.294 65.367 63.100 -0.045 0.000 0.874 103 P CB -0.094 31.668 31.700 0.104 0.000 0.790 104 S N -1.665 114.243 115.700 0.347 0.000 2.365 104 S HA -0.286 4.183 4.470 -0.001 0.000 0.225 104 S C 2.094 176.938 174.600 0.407 0.000 1.039 104 S CA 1.433 59.906 58.200 0.454 0.000 1.033 104 S CB -1.937 61.526 63.200 0.438 0.000 0.887 104 S HN 0.078 nan 8.310 nan 0.000 0.447 105 Y N 2.843 123.262 120.300 0.200 0.000 2.163 105 Y HA -0.030 4.519 4.550 -0.002 0.000 0.288 105 Y C 2.657 178.601 175.900 0.074 0.000 1.136 105 Y CA 1.142 59.307 58.100 0.109 0.000 1.147 105 Y CB -0.848 37.611 38.460 -0.000 0.000 0.987 105 Y HN 0.322 nan 8.280 nan 0.000 0.509 106 S N -0.654 115.040 115.700 -0.010 0.000 2.419 106 S HA -0.192 4.277 4.470 -0.001 0.000 0.233 106 S C 1.644 176.204 174.600 -0.068 0.000 1.016 106 S CA 1.217 59.334 58.200 -0.139 0.000 0.974 106 S CB -0.627 62.475 63.200 -0.162 0.000 0.786 106 S HN 0.508 nan 8.310 nan 0.000 0.492 107 Y N 1.705 122.078 120.300 0.121 0.000 2.352 107 Y HA 0.166 4.716 4.550 -0.001 0.000 0.292 107 Y C 1.030 177.004 175.900 0.124 0.000 1.136 107 Y CA -0.378 57.838 58.100 0.193 0.000 1.227 107 Y CB -0.786 37.874 38.460 0.334 0.000 0.991 107 Y HN 0.171 nan 8.280 nan 0.000 0.545 108 L N 0.676 122.008 121.223 0.180 0.000 2.483 108 L HA 0.034 4.374 4.340 -0.001 0.000 0.275 108 L C 1.025 177.919 176.870 0.040 0.000 1.220 108 L CA -0.205 54.685 54.840 0.083 0.000 0.833 108 L CB 0.060 42.125 42.059 0.009 0.000 1.102 108 L HN 0.131 nan 8.230 nan 0.000 0.490 109 T N -0.318 114.257 114.554 0.035 0.000 2.940 109 T HA 0.496 4.845 4.350 -0.001 0.000 0.309 109 T C 0.313 175.002 174.700 -0.018 0.000 1.056 109 T CA -0.006 62.104 62.100 0.016 0.000 1.137 109 T CB 1.132 70.010 68.868 0.017 0.000 0.976 109 T HN 1.106 nan 8.240 nan 0.000 0.547 110 G N 0.932 109.719 108.800 -0.021 0.000 2.357 110 G HA2 0.155 4.115 3.960 -0.001 0.000 0.643 110 G HA3 0.155 4.115 3.960 -0.001 0.000 0.643 110 G C -0.298 174.573 174.900 -0.047 0.000 1.358 110 G CA -0.511 44.566 45.100 -0.039 0.000 0.986 110 G HN 0.830 nan 8.290 nan 0.000 0.620 111 L N -0.065 121.133 121.223 -0.042 0.000 3.086 111 L HA 0.266 4.605 4.340 -0.001 0.000 0.274 111 L C 1.630 178.478 176.870 -0.038 0.000 1.184 111 L CA 0.564 55.383 54.840 -0.034 0.000 1.002 111 L CB 0.456 42.507 42.059 -0.014 0.000 1.383 111 L HN 0.714 nan 8.230 nan 0.000 0.582 112 D N -0.859 119.514 120.400 -0.046 0.000 2.349 112 D HA -0.039 4.600 4.640 -0.001 0.000 0.214 112 D C 0.475 176.761 176.300 -0.024 0.000 1.063 112 D CA -0.169 53.818 54.000 -0.021 0.000 0.847 112 D CB 0.048 40.853 40.800 0.008 0.000 0.933 112 D HN 0.187 nan 8.370 nan 0.000 0.513 113 Q N 1.872 121.602 119.800 -0.116 0.000 2.300 113 Q HA 0.130 4.469 4.340 -0.001 0.000 0.280 113 Q C -1.431 174.560 176.000 -0.015 0.000 1.033 113 Q CA -0.823 54.897 55.803 -0.138 0.000 0.903 113 Q CB 0.824 29.317 28.738 -0.410 0.000 1.195 113 Q HN 0.080 nan 8.270 nan 0.000 0.386 114 P HA -0.138 nan 4.420 nan 0.000 0.221 114 P C 0.076 177.381 177.300 0.009 0.000 1.150 114 P CA 1.118 64.240 63.100 0.037 0.000 0.800 114 P CB 0.469 32.210 31.700 0.069 0.000 0.787 115 N N -0.517 118.196 118.700 0.022 0.000 2.273 115 N HA 0.040 4.779 4.740 -0.001 0.000 0.231 115 N C 1.317 176.815 175.510 -0.020 0.000 1.134 115 N CA -0.041 53.010 53.050 0.003 0.000 0.856 115 N CB -0.323 38.174 38.487 0.017 0.000 1.068 115 N HN -0.165 nan 8.380 nan 0.000 0.510 116 K N -0.077 120.304 120.400 -0.032 0.000 2.127 116 K HA -0.090 4.229 4.320 -0.001 0.000 0.208 116 K C 1.595 178.194 176.600 -0.002 0.000 1.047 116 K CA 1.091 57.354 56.287 -0.039 0.000 0.927 116 K CB -0.663 31.813 32.500 -0.040 0.000 0.716 116 K HN 0.057 nan 8.250 nan 0.000 0.450 117 V N 1.059 120.987 119.914 0.023 0.000 2.453 117 V HA -0.263 3.857 4.120 -0.001 0.000 0.252 117 V C 1.884 178.048 176.094 0.117 0.000 1.068 117 V CA 2.776 65.120 62.300 0.073 0.000 1.070 117 V CB -0.849 31.017 31.823 0.072 0.000 0.664 117 V HN 0.798 nan 8.190 nan 0.000 0.461 118 T N -2.266 112.330 114.554 0.069 0.000 3.072 118 T HA 0.122 4.472 4.350 -0.001 0.000 0.266 118 T C 1.375 176.046 174.700 -0.048 0.000 1.127 118 T CA 1.090 63.200 62.100 0.017 0.000 1.107 118 T CB -0.152 68.673 68.868 -0.071 0.000 0.910 118 T HN 0.635 nan 8.240 nan 0.000 0.513 119 A N 0.724 123.536 122.820 -0.014 0.000 2.431 119 A HA 0.588 4.907 4.320 -0.001 0.000 0.239 119 A C 1.918 179.565 177.584 0.106 0.000 1.230 119 A CA 0.274 52.322 52.037 0.017 0.000 0.928 119 A CB 0.297 19.233 19.000 -0.106 0.000 1.006 119 A HN 0.739 nan 8.150 nan 0.000 0.520 120 V N -4.107 115.866 119.914 0.099 0.000 3.502 120 V HA 0.386 4.505 4.120 -0.001 0.000 0.288 120 V C 1.355 177.506 176.094 0.094 0.000 1.461 120 V CA 0.269 62.623 62.300 0.090 0.000 1.029 120 V CB -0.577 31.290 31.823 0.074 0.000 0.843 120 V HN 0.246 nan 8.190 nan 0.000 0.438 121 L N 1.298 122.603 121.223 0.137 0.000 2.496 121 L HA 0.260 4.599 4.340 -0.001 0.000 0.189 121 L C 2.429 179.299 176.870 0.000 0.000 1.308 121 L CA 1.388 56.298 54.840 0.116 0.000 0.912 121 L CB -0.494 41.739 42.059 0.291 0.000 1.148 121 L HN 0.373 nan 8.230 nan 0.000 0.537 122 D N -1.766 118.639 120.400 0.008 0.000 2.305 122 D HA -0.094 4.546 4.640 -0.001 0.000 0.206 122 D C 1.771 178.081 176.300 0.015 0.000 0.974 122 D CA 0.926 54.900 54.000 -0.044 0.000 0.871 122 D CB -0.588 40.170 40.800 -0.069 0.000 0.947 122 D HN 0.149 nan 8.370 nan 0.000 0.516 123 T N 1.965 116.568 114.554 0.083 0.000 2.607 123 T HA -0.103 4.246 4.350 -0.001 0.000 0.267 123 T C -0.758 173.863 174.700 -0.131 0.000 1.049 123 T CA 2.323 64.421 62.100 -0.004 0.000 1.162 123 T CB -1.165 67.806 68.868 0.172 0.000 0.863 123 T HN 0.294 nan 8.240 nan 0.000 0.424 124 P HA 0.089 nan 4.420 nan 0.000 0.223 124 P C 1.464 178.690 177.300 -0.124 0.000 1.151 124 P CA 0.865 63.901 63.100 -0.108 0.000 0.787 124 P CB -0.277 31.396 31.700 -0.045 0.000 0.788 125 I N -0.706 119.809 120.570 -0.092 0.000 2.252 125 I HA -0.196 3.973 4.170 -0.001 0.000 0.245 125 I C 2.556 178.637 176.117 -0.060 0.000 1.102 125 I CA 1.282 62.539 61.300 -0.071 0.000 1.385 125 I CB -0.486 37.469 38.000 -0.075 0.000 1.064 125 I HN -0.168 nan 8.210 nan 0.000 0.414 126 I N 0.507 121.011 120.570 -0.110 0.000 2.193 126 I HA -0.246 3.923 4.170 -0.001 0.000 0.240 126 I C 2.423 178.450 176.117 -0.151 0.000 1.084 126 I CA 1.499 62.744 61.300 -0.093 0.000 1.365 126 I CB -0.190 37.740 38.000 -0.117 0.000 1.064 126 I HN 0.090 nan 8.210 nan 0.000 0.410 127 I N 0.705 121.093 120.570 -0.303 0.000 2.252 127 I HA -0.189 3.981 4.170 -0.001 0.000 0.245 127 I C 2.681 178.595 176.117 -0.338 0.000 1.102 127 I CA 1.499 62.580 61.300 -0.365 0.000 1.385 127 I CB -0.939 36.702 38.000 -0.598 0.000 1.064 127 I HN 0.273 nan 8.210 nan 0.000 0.414 128 G N 0.344 108.985 108.800 -0.266 0.000 2.446 128 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.217 128 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.217 128 G C 1.434 176.240 174.900 -0.156 0.000 1.168 128 G CA 0.705 45.682 45.100 -0.204 0.000 0.771 128 G HN 0.537 nan 8.290 nan 0.000 0.551 129 W N 1.798 122.940 121.300 -0.265 0.000 2.355 129 W HA 0.040 4.700 4.660 -0.001 0.000 0.309 129 W C 2.736 179.051 176.519 -0.339 0.000 1.206 129 W CA 2.339 59.535 57.345 -0.248 0.000 1.284 129 W CB -0.207 29.142 29.460 -0.185 0.000 1.145 129 W HN 0.256 nan 8.180 nan 0.000 0.502 130 A N 0.340 122.953 122.820 -0.345 0.000 1.902 130 A HA -0.186 4.133 4.320 -0.001 0.000 0.217 130 A C 2.081 179.296 177.584 -0.615 0.000 1.181 130 A CA 1.871 53.543 52.037 -0.609 0.000 0.623 130 A CB -1.105 17.482 19.000 -0.689 0.000 0.818 130 A HN 0.411 nan 8.150 nan 0.000 0.443 131 L N -0.729 120.242 121.223 -0.419 0.000 2.083 131 L HA -0.198 4.141 4.340 -0.001 0.000 0.209 131 L C 2.647 179.266 176.870 -0.419 0.000 1.083 131 L CA 1.010 55.644 54.840 -0.343 0.000 0.752 131 L CB -0.443 41.465 42.059 -0.251 0.000 0.899 131 L HN 0.370 nan 8.230 nan 0.000 0.433 132 Q N -0.253 119.265 119.800 -0.470 0.000 2.364 132 Q HA -0.138 4.202 4.340 -0.001 0.000 0.207 132 Q C 2.011 177.651 176.000 -0.601 0.000 0.970 132 Q CA 0.882 56.415 55.803 -0.449 0.000 0.888 132 Q CB -0.063 28.456 28.738 -0.366 0.000 0.951 132 Q HN 0.540 nan 8.270 nan 0.000 0.469 133 Q N -0.931 118.308 119.800 -0.935 0.000 2.432 133 Q HA 0.107 4.446 4.340 -0.001 0.000 0.205 133 Q C 1.007 176.486 176.000 -0.868 0.000 0.945 133 Q CA 0.874 56.009 55.803 -1.113 0.000 0.924 133 Q CB 0.443 27.968 28.738 -2.021 0.000 1.016 133 Q HN 0.492 nan 8.270 nan 0.000 0.503 134 G N 0.393 108.790 108.800 -0.672 0.000 2.131 134 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.223 134 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.223 134 G C -0.556 174.151 174.900 -0.322 0.000 0.990 134 G CA -0.273 44.571 45.100 -0.427 0.000 0.671 134 G HN 0.163 nan 8.290 nan 0.000 0.521 135 Y N 0.013 120.109 120.300 -0.339 0.000 2.319 135 Y HA 0.570 5.119 4.550 -0.001 0.000 0.328 135 Y C 0.985 176.803 175.900 -0.137 0.000 1.133 135 Y CA -1.880 56.078 58.100 -0.237 0.000 1.265 135 Y CB 0.177 38.527 38.460 -0.183 0.000 1.218 135 Y HN 0.203 nan 8.280 nan 0.000 0.508 136 Y N 1.083 121.493 120.300 0.184 0.000 2.442 136 Y HA 0.331 4.880 4.550 -0.001 0.000 0.330 136 Y C 0.149 176.234 175.900 0.308 0.000 1.129 136 Y CA -0.117 58.108 58.100 0.207 0.000 1.365 136 Y CB 0.402 38.957 38.460 0.159 0.000 1.233 136 Y HN 0.204 nan 8.280 nan 0.000 0.529 137 V N 5.191 125.405 119.914 0.500 0.000 2.459 137 V HA 0.453 4.573 4.120 -0.001 0.000 0.295 137 V C -0.660 175.781 176.094 0.578 0.000 1.029 137 V CA -0.903 61.740 62.300 0.572 0.000 0.874 137 V CB 1.715 33.839 31.823 0.502 0.000 0.985 137 V HN 0.520 nan 8.190 nan 0.000 0.438 138 V N 4.160 124.365 119.914 0.484 0.000 2.604 138 V HA 0.778 4.898 4.120 -0.001 0.000 0.305 138 V C -0.326 176.024 176.094 0.427 0.000 1.043 138 V CA 0.080 62.599 62.300 0.364 0.000 0.888 138 V CB 2.323 34.266 31.823 0.200 0.000 0.995 138 V HN 0.907 nan 8.190 nan 0.000 0.429 139 S N 4.635 120.591 115.700 0.428 0.000 2.774 139 S HA 0.593 5.062 4.470 -0.001 0.000 0.297 139 S C -0.389 174.451 174.600 0.400 0.000 1.143 139 S CA -0.431 58.067 58.200 0.496 0.000 1.090 139 S CB 1.160 64.811 63.200 0.752 0.000 1.019 139 S HN 0.904 nan 8.310 nan 0.000 0.482 140 S N 2.779 118.682 115.700 0.338 0.000 2.632 140 S HA 0.315 4.784 4.470 -0.001 0.000 0.271 140 S C -0.557 174.222 174.600 0.299 0.000 1.260 140 S CA -0.677 57.708 58.200 0.308 0.000 1.010 140 S CB 0.636 64.003 63.200 0.279 0.000 0.965 140 S HN 0.689 nan 8.310 nan 0.000 0.534 141 D N 2.033 122.571 120.400 0.230 0.000 2.551 141 D HA 0.071 4.710 4.640 -0.001 0.000 0.223 141 D C 1.453 177.754 176.300 0.001 0.000 1.144 141 D CA -0.067 53.989 54.000 0.092 0.000 1.025 141 D CB -0.268 40.623 40.800 0.153 0.000 1.085 141 D HN 0.615 nan 8.370 nan 0.000 0.506 142 H N 0.091 119.236 119.070 0.126 0.000 2.489 142 H HA -0.066 4.490 4.556 -0.001 0.000 0.295 142 H C 0.594 175.950 175.328 0.047 0.000 1.082 142 H CA 0.785 56.882 56.048 0.081 0.000 1.295 142 H CB 0.208 30.018 29.762 0.081 0.000 1.380 142 H HN 0.370 nan 8.280 nan 0.000 0.548 143 E N 1.185 121.308 120.200 -0.127 0.000 2.427 143 E HA 0.147 4.497 4.350 -0.001 0.000 0.196 143 E C 1.053 177.644 176.600 -0.016 0.000 1.028 143 E CA 0.252 56.652 56.400 -0.001 0.000 0.864 143 E CB 0.190 29.896 29.700 0.011 0.000 0.813 143 E HN 0.655 nan 8.360 nan 0.000 0.514 144 G N 0.855 109.619 108.800 -0.059 0.000 2.796 144 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.226 144 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.226 144 G C 0.130 175.042 174.900 0.019 0.000 1.381 144 G CA -0.263 44.751 45.100 -0.143 0.000 0.867 144 G HN 0.136 nan 8.290 nan 0.000 0.552 145 F N 0.370 120.292 119.950 -0.048 0.000 2.365 145 F HA 0.097 4.624 4.527 -0.001 0.000 0.300 145 F C 2.599 178.367 175.800 -0.052 0.000 1.090 145 F CA 1.647 59.620 58.000 -0.045 0.000 1.408 145 F CB -0.276 38.693 39.000 -0.052 0.000 1.060 145 F HN 0.436 nan 8.300 nan 0.000 0.534 146 K N 0.055 120.534 120.400 0.132 0.000 2.459 146 K HA 0.320 4.639 4.320 -0.001 0.000 0.193 146 K C 0.980 177.624 176.600 0.073 0.000 1.030 146 K CA 0.601 56.936 56.287 0.080 0.000 1.026 146 K CB -0.091 32.437 32.500 0.045 0.000 0.809 146 K HN 0.044 nan 8.250 nan 0.000 0.504 147 A N 1.048 123.910 122.820 0.071 0.000 2.610 147 A HA -0.216 4.103 4.320 -0.001 0.000 0.299 147 A C 0.410 178.060 177.584 0.111 0.000 1.487 147 A CA 0.619 52.705 52.037 0.080 0.000 0.743 147 A CB -2.018 17.029 19.000 0.079 0.000 1.070 147 A HN 0.373 nan 8.150 nan 0.000 0.439 148 A N 0.537 123.408 122.820 0.085 0.000 2.915 148 A HA 0.520 4.839 4.320 -0.001 0.000 0.292 148 A C 0.055 177.713 177.584 0.123 0.000 1.632 148 A CA 0.010 52.096 52.037 0.083 0.000 1.337 148 A CB -0.661 18.347 19.000 0.012 0.000 1.111 148 A HN 1.636 nan 8.150 nan 0.000 0.569 149 F N 2.440 122.413 119.950 0.037 0.000 2.578 149 F HA 0.252 4.778 4.527 -0.001 0.000 0.376 149 F C 0.857 176.649 175.800 -0.014 0.000 1.085 149 F CA 0.301 58.327 58.000 0.042 0.000 1.260 149 F CB 0.118 39.163 39.000 0.075 0.000 1.095 149 F HN 0.503 nan 8.300 nan 0.000 0.573 150 I N 3.121 123.206 120.570 -0.809 0.000 5.548 150 I HA -0.276 3.893 4.170 -0.001 0.000 0.177 150 I C 0.237 176.109 176.117 -0.408 0.000 1.814 150 I CA 0.972 61.692 61.300 -0.967 0.000 2.031 150 I CB -1.682 35.571 38.000 -1.246 0.000 3.357 150 I HN 0.830 nan 8.210 nan 0.000 0.170 151 A N 0.663 123.348 122.820 -0.226 0.000 2.437 151 A HA 0.643 4.963 4.320 -0.001 0.000 0.303 151 A C 1.606 178.974 177.584 -0.359 0.000 1.324 151 A CA 0.402 52.324 52.037 -0.191 0.000 0.983 151 A CB -0.202 18.730 19.000 -0.113 0.000 1.142 151 A HN 0.663 nan 8.150 nan 0.000 0.541 152 G N 1.097 109.415 108.800 -0.804 0.000 2.421 152 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.216 152 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.216 152 G C 1.128 175.231 174.900 -1.329 0.000 1.171 152 G CA 1.339 45.267 45.100 -1.953 0.000 0.775 152 G HN 0.767 nan 8.290 nan 0.000 0.543 153 Y N 0.517 120.295 120.300 -0.871 0.000 2.200 153 Y HA 0.008 4.557 4.550 -0.001 0.000 0.290 153 Y C 2.772 178.474 175.900 -0.330 0.000 1.137 153 Y CA 1.369 59.209 58.100 -0.433 0.000 1.163 153 Y CB -0.338 37.923 38.460 -0.331 0.000 0.988 153 Y HN 0.259 nan 8.280 nan 0.000 0.518 154 E N 0.679 120.784 120.200 -0.158 0.000 2.070 154 E HA -0.234 4.115 4.350 -0.001 0.000 0.197 154 E C 1.878 178.412 176.600 -0.109 0.000 1.004 154 E CA 1.958 58.274 56.400 -0.140 0.000 0.805 154 E CB -0.068 29.555 29.700 -0.128 0.000 0.744 154 E HN 0.519 nan 8.360 nan 0.000 0.451 155 E N -0.916 119.215 120.200 -0.115 0.000 2.047 155 E HA -0.109 4.241 4.350 -0.001 0.000 0.191 155 E C 2.140 178.728 176.600 -0.021 0.000 0.987 155 E CA 0.841 57.234 56.400 -0.012 0.000 0.799 155 E CB -0.357 29.340 29.700 -0.006 0.000 0.752 155 E HN 0.425 nan 8.360 nan 0.000 0.449 156 G N 1.137 109.891 108.800 -0.078 0.000 2.446 156 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.217 156 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.217 156 G C 1.574 176.447 174.900 -0.043 0.000 1.168 156 G CA 0.886 45.978 45.100 -0.014 0.000 0.771 156 G HN 0.090 nan 8.290 nan 0.000 0.551 157 M N 0.612 120.107 119.600 -0.176 0.000 2.229 157 M HA 0.078 4.557 4.480 -0.001 0.000 0.264 157 M C 3.031 179.331 176.300 -0.001 0.000 1.063 157 M CA 1.131 56.230 55.300 -0.335 0.000 1.114 157 M CB -0.133 32.059 32.600 -0.679 0.000 1.387 157 M HN 0.325 nan 8.290 nan 0.000 0.420 158 A N 0.739 123.577 122.820 0.031 0.000 1.898 158 A HA -0.118 4.201 4.320 -0.001 0.000 0.216 158 A C 2.035 179.755 177.584 0.227 0.000 1.181 158 A CA 1.396 53.525 52.037 0.155 0.000 0.620 158 A CB -0.774 18.281 19.000 0.092 0.000 0.819 158 A HN 0.428 nan 8.150 nan 0.000 0.442 159 I N -0.365 120.297 120.570 0.153 0.000 2.202 159 I HA -0.241 3.929 4.170 -0.001 0.000 0.242 159 I C 2.343 178.519 176.117 0.098 0.000 1.091 159 I CA 1.085 62.461 61.300 0.128 0.000 1.368 159 I CB -0.315 37.739 38.000 0.091 0.000 1.058 159 I HN 0.270 nan 8.210 nan 0.000 0.410 160 L N 0.113 121.414 121.223 0.130 0.000 2.083 160 L HA -0.221 4.118 4.340 -0.001 0.000 0.209 160 L C 1.979 178.924 176.870 0.125 0.000 1.083 160 L CA 1.185 56.115 54.840 0.150 0.000 0.752 160 L CB -0.649 41.568 42.059 0.264 0.000 0.899 160 L HN 0.263 nan 8.230 nan 0.000 0.433 161 D N -0.079 120.433 120.400 0.187 0.000 2.269 161 D HA -0.082 4.557 4.640 -0.001 0.000 0.208 161 D C 2.125 178.268 176.300 -0.263 0.000 0.963 161 D CA 1.245 55.313 54.000 0.114 0.000 0.864 161 D CB -0.056 40.956 40.800 0.353 0.000 0.936 161 D HN 0.344 nan 8.370 nan 0.000 0.505 162 G N 0.767 109.362 108.800 -0.341 0.000 2.408 162 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.217 162 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.217 162 G C 1.761 176.484 174.900 -0.295 0.000 1.150 162 G CA 0.120 44.848 45.100 -0.620 0.000 0.776 162 G HN 0.251 nan 8.290 nan 0.000 0.542 163 I N -0.034 120.465 120.570 -0.118 0.000 2.353 163 I HA -0.075 4.094 4.170 -0.001 0.000 0.248 163 I C 2.966 179.042 176.117 -0.068 0.000 1.119 163 I CA 0.686 61.958 61.300 -0.047 0.000 1.417 163 I CB -0.159 37.842 38.000 0.001 0.000 1.078 163 I HN 0.034 nan 8.210 nan 0.000 0.421 164 R N 0.835 121.287 120.500 -0.081 0.000 2.091 164 R HA -0.152 4.187 4.340 -0.001 0.000 0.238 164 R C 2.500 178.746 176.300 -0.089 0.000 1.136 164 R CA 1.582 57.641 56.100 -0.068 0.000 0.959 164 R CB -0.532 29.741 30.300 -0.044 0.000 0.856 164 R HN 0.376 nan 8.270 nan 0.000 0.437 165 A N 1.185 123.895 122.820 -0.184 0.000 1.908 165 A HA -0.187 4.133 4.320 -0.001 0.000 0.218 165 A C 2.082 179.622 177.584 -0.073 0.000 1.181 165 A CA 1.327 53.260 52.037 -0.174 0.000 0.627 165 A CB -0.542 18.200 19.000 -0.430 0.000 0.818 165 A HN 0.277 nan 8.150 nan 0.000 0.445 166 L N -0.272 120.903 121.223 -0.081 0.000 2.046 166 L HA -0.118 4.221 4.340 -0.001 0.000 0.208 166 L C 2.151 179.011 176.870 -0.017 0.000 1.077 166 L CA 2.302 57.140 54.840 -0.003 0.000 0.747 166 L CB -0.541 41.527 42.059 0.015 0.000 0.896 166 L HN 0.344 nan 8.230 nan 0.000 0.432 167 K N -0.477 119.892 120.400 -0.051 0.000 2.057 167 K HA -0.131 4.188 4.320 -0.001 0.000 0.207 167 K C 1.912 178.480 176.600 -0.054 0.000 1.049 167 K CA 1.459 57.702 56.287 -0.074 0.000 0.931 167 K CB -0.242 32.222 32.500 -0.060 0.000 0.714 167 K HN 0.396 nan 8.250 nan 0.000 0.440 168 N N 0.237 118.927 118.700 -0.018 0.000 2.106 168 N HA -0.170 4.570 4.740 -0.001 0.000 0.188 168 N C 1.709 177.232 175.510 0.022 0.000 1.029 168 N CA 1.096 54.148 53.050 0.004 0.000 0.848 168 N CB -0.436 38.067 38.487 0.027 0.000 1.007 168 N HN 0.193 nan 8.380 nan 0.000 0.423 169 Y N 1.712 121.962 120.300 -0.084 0.000 2.181 169 Y HA -0.089 4.460 4.550 -0.001 0.000 0.288 169 Y C 1.848 177.675 175.900 -0.122 0.000 1.146 169 Y CA 1.576 59.616 58.100 -0.100 0.000 1.164 169 Y CB -0.003 38.391 38.460 -0.109 0.000 0.982 169 Y HN 0.027 nan 8.280 nan 0.000 0.515 170 Q N 0.351 120.076 119.800 -0.125 0.000 2.280 170 Q HA 0.042 4.382 4.340 -0.001 0.000 0.201 170 Q C -0.230 175.657 176.000 -0.188 0.000 0.890 170 Q CA 0.314 55.990 55.803 -0.211 0.000 0.947 170 Q CB -0.210 28.426 28.738 -0.170 0.000 1.081 170 Q HN 0.555 nan 8.270 nan 0.000 0.502 171 N N 0.373 118.983 118.700 -0.150 0.000 2.714 171 N HA -0.185 4.554 4.740 -0.001 0.000 0.253 171 N C -1.158 174.284 175.510 -0.113 0.000 1.024 171 N CA 0.289 53.271 53.050 -0.114 0.000 0.726 171 N CB -1.050 37.374 38.487 -0.104 0.000 0.908 171 N HN 0.228 nan 8.380 nan 0.000 0.542 172 L N 0.016 121.157 121.223 -0.136 0.000 2.375 172 L HA 0.489 4.828 4.340 -0.001 0.000 0.271 172 L C -1.446 175.373 176.870 -0.086 0.000 1.107 172 L CA -1.836 52.916 54.840 -0.145 0.000 0.806 172 L CB 0.422 42.346 42.059 -0.226 0.000 1.146 172 L HN -0.020 nan 8.230 nan 0.000 0.447 173 P HA -0.045 nan 4.420 nan 0.000 0.265 173 P C 0.528 177.807 177.300 -0.034 0.000 1.187 173 P CA -0.008 63.070 63.100 -0.038 0.000 0.766 173 P CB 0.646 32.332 31.700 -0.023 0.000 0.820 174 S N 1.022 116.706 115.700 -0.026 0.000 2.442 174 S HA -0.161 4.308 4.470 -0.001 0.000 0.236 174 S C 1.065 175.656 174.600 -0.015 0.000 1.007 174 S CA 1.292 59.478 58.200 -0.023 0.000 0.965 174 S CB -0.666 62.522 63.200 -0.019 0.000 0.773 174 S HN 0.591 nan 8.310 nan 0.000 0.504 175 D N 0.948 121.342 120.400 -0.010 0.000 2.388 175 D HA 0.186 4.825 4.640 -0.001 0.000 0.221 175 D C -0.330 175.975 176.300 0.007 0.000 1.133 175 D CA -0.270 53.729 54.000 -0.001 0.000 0.831 175 D CB -0.402 40.399 40.800 0.002 0.000 0.962 175 D HN 0.204 nan 8.370 nan 0.000 0.502 176 S N 0.804 116.505 115.700 0.003 0.000 2.552 176 S HA 0.010 4.479 4.470 -0.001 0.000 0.289 176 S C 0.457 175.087 174.600 0.050 0.000 1.304 176 S CA -0.164 58.047 58.200 0.019 0.000 1.063 176 S CB 0.741 63.937 63.200 -0.006 0.000 0.848 176 S HN 0.180 nan 8.310 nan 0.000 0.499 177 K N 1.949 122.409 120.400 0.101 0.000 2.412 177 K HA 0.255 4.574 4.320 -0.001 0.000 0.281 177 K C -0.739 176.027 176.600 0.277 0.000 1.027 177 K CA -0.120 56.276 56.287 0.182 0.000 0.989 177 K CB 0.431 33.122 32.500 0.319 0.000 0.935 177 K HN 0.266 nan 8.250 nan 0.000 0.475 178 V N 2.071 122.056 119.914 0.119 0.000 2.540 178 V HA 0.616 4.735 4.120 -0.001 0.000 0.302 178 V C -0.452 175.564 176.094 -0.131 0.000 1.035 178 V CA -0.864 61.479 62.300 0.072 0.000 0.873 178 V CB 1.601 33.416 31.823 -0.015 0.000 0.992 178 V HN 0.916 nan 8.190 nan 0.000 0.428 179 A N 4.846 127.612 122.820 -0.091 0.000 2.454 179 A HA 1.004 5.323 4.320 -0.001 0.000 0.302 179 A C -1.508 175.975 177.584 -0.168 0.000 1.079 179 A CA -0.566 51.319 52.037 -0.253 0.000 0.731 179 A CB 1.584 20.271 19.000 -0.521 0.000 1.299 179 A HN 0.681 nan 8.150 nan 0.000 0.413 180 L N 0.988 122.136 121.223 -0.125 0.000 2.381 180 L HA 0.707 5.046 4.340 -0.001 0.000 0.268 180 L C -0.051 176.815 176.870 -0.005 0.000 0.997 180 L CA -0.145 54.634 54.840 -0.101 0.000 0.818 180 L CB 2.020 44.073 42.059 -0.011 0.000 1.310 180 L HN 0.753 nan 8.230 nan 0.000 0.416 181 E N 0.998 121.180 120.200 -0.031 0.000 2.331 181 E HA 0.814 5.164 4.350 -0.001 0.000 0.275 181 E C -1.255 175.469 176.600 0.206 0.000 0.895 181 E CA -0.593 55.935 56.400 0.213 0.000 0.753 181 E CB 2.721 32.634 29.700 0.355 0.000 1.216 181 E HN 0.713 nan 8.360 nan 0.000 0.434 182 G N 1.723 110.699 108.800 0.293 0.000 2.519 182 G HA2 0.388 4.347 3.960 -0.001 0.000 0.292 182 G HA3 0.388 4.347 3.960 -0.001 0.000 0.292 182 G C -2.360 172.704 174.900 0.274 0.000 1.507 182 G CA -0.630 44.572 45.100 0.171 0.000 0.806 182 G HN 0.309 nan 8.290 nan 0.000 0.523 183 Y N 0.918 121.321 120.300 0.172 0.000 2.499 183 Y HA 0.655 5.204 4.550 -0.001 0.000 0.347 183 Y C 1.001 176.990 175.900 0.149 0.000 0.987 183 Y CA 0.886 59.041 58.100 0.090 0.000 1.044 183 Y CB 2.290 40.868 38.460 0.198 0.000 1.245 183 Y HN 1.483 nan 8.280 nan 0.000 0.461 184 S N 1.837 117.167 115.700 -0.617 0.000 4.116 184 S HA -0.321 4.148 4.470 -0.001 0.000 0.623 184 S C 1.513 176.107 174.600 -0.010 0.000 1.933 184 S CA 1.866 59.914 58.200 -0.252 0.000 4.224 184 S CB -1.658 61.591 63.200 0.082 0.000 0.208 184 S HN 1.554 nan 8.310 nan 0.000 0.527 185 G N 0.755 109.663 108.800 0.181 0.000 2.462 185 G HA2 0.084 4.043 3.960 -0.001 0.000 0.220 185 G HA3 0.084 4.043 3.960 -0.001 0.000 0.220 185 G C 1.460 176.467 174.900 0.178 0.000 1.121 185 G CA 1.337 46.591 45.100 0.257 0.000 0.758 185 G HN 1.310 nan 8.290 nan 0.000 0.559 186 G N 0.718 109.619 108.800 0.169 0.000 2.448 186 G HA2 0.143 4.102 3.960 -0.001 0.000 0.218 186 G HA3 0.143 4.102 3.960 -0.001 0.000 0.218 186 G C 1.911 176.755 174.900 -0.093 0.000 1.135 186 G CA 1.278 46.365 45.100 -0.022 0.000 0.784 186 G HN 0.587 nan 8.290 nan 0.000 0.543 187 A N -0.061 122.719 122.820 -0.066 0.000 1.968 187 A HA -0.010 4.309 4.320 -0.001 0.000 0.217 187 A C 2.053 179.481 177.584 -0.261 0.000 1.169 187 A CA 1.585 53.520 52.037 -0.169 0.000 0.638 187 A CB -0.693 18.185 19.000 -0.204 0.000 0.812 187 A HN 0.497 nan 8.150 nan 0.000 0.446 188 H N 0.317 119.262 119.070 -0.208 0.000 2.321 188 H HA -0.081 4.474 4.556 -0.001 0.000 0.300 188 H C 2.232 177.516 175.328 -0.073 0.000 1.087 188 H CA 1.744 57.711 56.048 -0.135 0.000 1.319 188 H CB -0.184 29.522 29.762 -0.093 0.000 1.379 188 H HN 0.391 nan 8.280 nan 0.000 0.501 189 A N 0.279 123.024 122.820 -0.125 0.000 1.902 189 A HA -0.157 4.163 4.320 -0.001 0.000 0.217 189 A C 2.659 180.127 177.584 -0.194 0.000 1.181 189 A CA 2.183 54.084 52.037 -0.227 0.000 0.623 189 A CB -1.059 17.593 19.000 -0.581 0.000 0.818 189 A HN 0.554 nan 8.150 nan 0.000 0.443 190 T N -0.796 113.621 114.554 -0.228 0.000 2.708 190 T HA -0.135 4.215 4.350 -0.001 0.000 0.266 190 T C 1.841 176.379 174.700 -0.270 0.000 1.037 190 T CA 1.472 63.455 62.100 -0.194 0.000 1.146 190 T CB -0.591 68.188 68.868 -0.149 0.000 0.865 190 T HN 0.176 nan 8.240 nan 0.000 0.435 191 V N -0.364 119.226 119.914 -0.539 0.000 2.490 191 V HA -0.124 3.995 4.120 -0.001 0.000 0.250 191 V C 1.899 177.726 176.094 -0.444 0.000 1.061 191 V CA 1.509 63.447 62.300 -0.604 0.000 1.064 191 V CB -0.493 30.808 31.823 -0.870 0.000 0.670 191 V HN 0.639 nan 8.190 nan 0.000 0.461 192 W N -0.219 120.819 121.300 -0.438 0.000 2.418 192 W HA 0.044 4.703 4.660 -0.001 0.000 0.292 192 W C 2.552 178.940 176.519 -0.218 0.000 1.213 192 W CA 1.469 58.591 57.345 -0.372 0.000 1.283 192 W CB -0.528 28.637 29.460 -0.492 0.000 1.119 192 W HN 0.254 nan 8.180 nan 0.000 0.542 193 A N 0.186 123.032 122.820 0.044 0.000 1.908 193 A HA -0.260 4.059 4.320 -0.001 0.000 0.218 193 A C 1.962 179.597 177.584 0.084 0.000 1.181 193 A CA 2.760 54.831 52.037 0.056 0.000 0.627 193 A CB -1.541 17.479 19.000 0.034 0.000 0.818 193 A HN 0.336 nan 8.150 nan 0.000 0.445 194 T N -3.269 111.333 114.554 0.079 0.000 2.821 194 T HA -0.076 4.274 4.350 -0.001 0.000 0.267 194 T C 1.982 176.758 174.700 0.127 0.000 1.046 194 T CA 1.725 63.946 62.100 0.201 0.000 1.139 194 T CB -0.515 68.525 68.868 0.287 0.000 0.871 194 T HN 0.257 nan 8.240 nan 0.000 0.454 195 S N 1.435 117.130 115.700 -0.009 0.000 2.402 195 S HA 0.203 4.672 4.470 -0.001 0.000 0.229 195 S C 1.780 176.404 174.600 0.040 0.000 1.021 195 S CA 0.824 58.989 58.200 -0.058 0.000 0.974 195 S CB -0.374 62.646 63.200 -0.299 0.000 0.800 195 S HN 0.457 nan 8.310 nan 0.000 0.484 196 L N 0.659 121.936 121.223 0.089 0.000 2.567 196 L HA 0.230 4.570 4.340 -0.001 0.000 0.225 196 L C 2.438 179.425 176.870 0.194 0.000 1.119 196 L CA 0.266 55.197 54.840 0.152 0.000 0.871 196 L CB -0.501 41.644 42.059 0.142 0.000 1.036 196 L HN 0.251 nan 8.230 nan 0.000 0.459 197 A N 0.794 123.720 122.820 0.177 0.000 1.892 197 A HA -0.324 3.996 4.320 -0.001 0.000 0.218 197 A C 1.952 179.633 177.584 0.161 0.000 1.188 197 A CA 2.493 54.638 52.037 0.180 0.000 0.631 197 A CB -0.591 18.528 19.000 0.197 0.000 0.822 197 A HN 0.421 nan 8.150 nan 0.000 0.447 198 D N -0.778 119.714 120.400 0.152 0.000 2.144 198 D HA -0.122 4.517 4.640 -0.001 0.000 0.200 198 D C 2.247 178.613 176.300 0.109 0.000 0.978 198 D CA 1.883 55.955 54.000 0.120 0.000 0.833 198 D CB 0.046 40.907 40.800 0.102 0.000 0.961 198 D HN 0.531 nan 8.370 nan 0.000 0.470 199 S N -1.831 113.952 115.700 0.138 0.000 2.475 199 S HA -0.036 4.433 4.470 -0.001 0.000 0.224 199 S C 1.893 176.595 174.600 0.171 0.000 1.042 199 S CA -0.133 58.151 58.200 0.139 0.000 0.935 199 S CB -0.456 62.834 63.200 0.150 0.000 0.801 199 S HN 0.378 nan 8.310 nan 0.000 0.509 200 Y N 2.230 122.573 120.300 0.072 0.000 2.441 200 Y HA 0.597 5.146 4.550 -0.001 0.000 0.288 200 Y C 1.125 177.057 175.900 0.053 0.000 1.118 200 Y CA 0.288 58.427 58.100 0.066 0.000 1.215 200 Y CB 0.288 38.796 38.460 0.080 0.000 1.118 200 Y HN 0.372 nan 8.280 nan 0.000 0.547 201 A N 0.724 123.587 122.820 0.071 0.000 3.410 201 A HA 0.388 4.707 4.320 -0.001 0.000 0.276 201 A C -2.241 175.360 177.584 0.029 0.000 0.995 201 A CA -0.839 51.191 52.037 -0.011 0.000 0.934 201 A CB -0.143 18.885 19.000 0.046 0.000 1.191 201 A HN 0.177 nan 8.150 nan 0.000 0.511 202 P HA -0.149 nan 4.420 nan 0.000 0.230 202 P C 1.077 178.388 177.300 0.019 0.000 1.158 202 P CA 1.067 64.189 63.100 0.037 0.000 0.769 202 P CB 0.286 32.007 31.700 0.034 0.000 0.807 203 E N 0.764 120.963 120.200 -0.001 0.000 2.358 203 E HA -0.072 4.277 4.350 -0.001 0.000 0.195 203 E C 0.574 177.169 176.600 -0.008 0.000 1.010 203 E CA 0.161 56.557 56.400 -0.007 0.000 0.856 203 E CB -0.821 28.867 29.700 -0.019 0.000 0.795 203 E HN 0.306 nan 8.360 nan 0.000 0.504 204 L N 3.081 124.299 121.223 -0.008 0.000 2.433 204 L HA 0.082 4.421 4.340 -0.001 0.000 0.275 204 L C 0.568 177.417 176.870 -0.036 0.000 1.128 204 L CA -0.338 54.491 54.840 -0.019 0.000 0.875 204 L CB -0.165 41.885 42.059 -0.016 0.000 1.171 204 L HN -0.067 nan 8.230 nan 0.000 0.463 205 N N 5.114 123.793 118.700 -0.035 0.000 2.971 205 N HA 0.149 4.889 4.740 -0.001 0.000 0.294 205 N C -0.314 175.133 175.510 -0.106 0.000 1.210 205 N CA -0.037 52.986 53.050 -0.044 0.000 1.157 205 N CB -0.185 38.294 38.487 -0.012 0.000 1.450 205 N HN 0.431 nan 8.380 nan 0.000 0.527 206 I N 2.085 122.527 120.570 -0.214 0.000 2.436 206 I HA -0.028 4.141 4.170 -0.001 0.000 0.289 206 I C 1.520 177.348 176.117 -0.482 0.000 1.083 206 I CA -0.416 60.614 61.300 -0.450 0.000 1.372 206 I CB 0.968 38.491 38.000 -0.795 0.000 1.408 206 I HN 0.214 nan 8.210 nan 0.000 0.516 207 V N 2.805 122.498 119.914 -0.367 0.000 3.644 207 V HA 0.562 4.682 4.120 -0.001 0.000 0.267 207 V C 0.715 176.689 176.094 -0.200 0.000 1.277 207 V CA 0.386 62.544 62.300 -0.237 0.000 1.096 207 V CB -0.175 31.520 31.823 -0.214 0.000 0.828 207 V HN 0.815 nan 8.190 nan 0.000 0.446 208 G N -0.941 107.699 108.800 -0.267 0.000 2.616 208 G HA2 0.757 4.716 3.960 -0.001 0.000 0.294 208 G HA3 0.757 4.716 3.960 -0.001 0.000 0.294 208 G C -1.480 173.483 174.900 0.106 0.000 1.489 208 G CA -0.072 45.059 45.100 0.050 0.000 0.836 208 G HN 1.014 nan 8.290 nan 0.000 0.527 209 A N -0.232 122.856 122.820 0.446 0.000 2.486 209 A HA 0.917 5.237 4.320 -0.001 0.000 0.300 209 A C -0.634 177.197 177.584 0.411 0.000 1.048 209 A CA -0.239 52.027 52.037 0.382 0.000 0.696 209 A CB 2.041 21.313 19.000 0.453 0.000 1.278 209 A HN 1.829 nan 8.150 nan 0.000 0.405 210 S N 0.777 116.712 115.700 0.391 0.000 2.672 210 S HA 0.718 5.187 4.470 -0.001 0.000 0.291 210 S C -1.140 173.749 174.600 0.480 0.000 1.145 210 S CA -0.447 58.011 58.200 0.431 0.000 1.013 210 S CB 0.387 63.936 63.200 0.582 0.000 1.017 210 S HN 1.446 nan 8.310 nan 0.000 0.487 211 H N 0.812 120.052 119.070 0.283 0.000 2.996 211 H HA 0.824 5.379 4.556 -0.001 0.000 0.368 211 H C -0.204 174.775 175.328 -0.581 0.000 1.185 211 H CA -0.904 55.115 56.048 -0.048 0.000 1.160 211 H CB 1.082 30.797 29.762 -0.079 0.000 1.820 211 H HN 0.720 nan 8.280 nan 0.000 0.547 212 G N -0.721 107.454 108.800 -1.042 0.000 2.642 212 G HA2 0.491 4.450 3.960 -0.001 0.000 0.293 212 G HA3 0.491 4.450 3.960 -0.001 0.000 0.293 212 G C 0.309 174.444 174.900 -1.275 0.000 1.341 212 G CA -0.939 43.195 45.100 -1.611 0.000 0.916 212 G HN 1.542 nan 8.290 nan 0.000 0.474 213 G N 0.070 108.143 108.800 -1.212 0.000 2.366 213 G HA2 -0.128 3.832 3.960 -0.001 0.000 0.299 213 G HA3 -0.128 3.832 3.960 -0.001 0.000 0.299 213 G C 0.325 174.819 174.900 -0.677 0.000 1.020 213 G CA 0.569 44.888 45.100 -1.301 0.000 1.026 213 G HN 1.055 nan 8.290 nan 0.000 0.512 214 T N 1.736 116.118 114.554 -0.288 0.000 2.761 214 T HA 0.473 4.823 4.350 -0.001 0.000 0.296 214 T C -2.190 172.495 174.700 -0.026 0.000 0.934 214 T CA -0.858 61.175 62.100 -0.112 0.000 1.091 214 T CB 1.858 70.717 68.868 -0.016 0.000 0.896 214 T HN 0.195 nan 8.240 nan 0.000 0.515 215 P HA 0.217 nan 4.420 nan 0.000 0.281 215 P C 0.786 178.110 177.300 0.039 0.000 1.286 215 P CA -0.488 62.608 63.100 -0.006 0.000 0.772 215 P CB 0.730 32.416 31.700 -0.023 0.000 0.862 216 V N 0.702 120.579 119.914 -0.062 0.000 3.523 216 V HA 0.217 4.336 4.120 -0.001 0.000 0.255 216 V C 0.693 176.766 176.094 -0.036 0.000 1.226 216 V CA 0.447 62.643 62.300 -0.174 0.000 1.092 216 V CB 0.049 31.655 31.823 -0.362 0.000 0.817 216 V HN 0.466 nan 8.190 nan 0.000 0.458 217 S N 0.074 115.784 115.700 0.017 0.000 2.605 217 S HA 0.773 5.243 4.470 -0.001 0.000 0.308 217 S C 0.950 175.600 174.600 0.083 0.000 1.113 217 S CA 0.102 58.340 58.200 0.064 0.000 1.049 217 S CB 1.756 64.972 63.200 0.026 0.000 1.001 217 S HN 0.669 nan 8.310 nan 0.000 0.480 218 A N 5.169 128.053 122.820 0.107 0.000 1.930 218 A HA -0.015 4.304 4.320 -0.001 0.000 0.217 218 A C 2.032 179.671 177.584 0.092 0.000 1.175 218 A CA 1.490 53.560 52.037 0.055 0.000 0.627 218 A CB -0.491 18.521 19.000 0.021 0.000 0.815 218 A HN 0.842 nan 8.150 nan 0.000 0.443 219 K N -0.546 119.910 120.400 0.093 0.000 2.025 219 K HA -0.169 4.151 4.320 -0.001 0.000 0.207 219 K C 1.300 178.022 176.600 0.203 0.000 1.049 219 K CA 1.544 57.911 56.287 0.134 0.000 0.933 219 K CB -0.181 32.373 32.500 0.089 0.000 0.714 219 K HN 0.345 nan 8.250 nan 0.000 0.438 220 D N 0.000 120.482 120.400 0.137 0.000 2.144 220 D HA -0.116 4.523 4.640 -0.001 0.000 0.199 220 D C 1.763 178.158 176.300 0.158 0.000 0.984 220 D CA 1.427 55.503 54.000 0.127 0.000 0.834 220 D CB -0.354 40.473 40.800 0.046 0.000 0.955 220 D HN 0.266 nan 8.370 nan 0.000 0.465 221 T N 0.375 115.008 114.554 0.133 0.000 2.821 221 T HA -0.114 4.235 4.350 -0.001 0.000 0.267 221 T C 1.732 176.580 174.700 0.246 0.000 1.046 221 T CA 0.510 62.699 62.100 0.147 0.000 1.139 221 T CB -0.416 68.493 68.868 0.068 0.000 0.871 221 T HN 0.145 nan 8.240 nan 0.000 0.454 222 F N 2.815 122.831 119.950 0.110 0.000 2.102 222 F HA -0.186 4.340 4.527 -0.002 0.000 0.298 222 F C 2.630 178.507 175.800 0.129 0.000 1.105 222 F CA 1.843 59.904 58.000 0.102 0.000 1.239 222 F CB -0.772 38.257 39.000 0.047 0.000 0.991 222 F HN 0.216 nan 8.300 nan 0.000 0.474 223 T N -1.929 112.765 114.554 0.234 0.000 2.867 223 T HA -0.218 4.131 4.350 -0.001 0.000 0.268 223 T C 1.890 176.652 174.700 0.103 0.000 1.057 223 T CA 1.193 63.381 62.100 0.146 0.000 1.136 223 T CB -1.281 67.749 68.868 0.271 0.000 0.874 223 T HN 0.359 nan 8.240 nan 0.000 0.466 224 F N 1.474 121.435 119.950 0.018 0.000 2.186 224 F HA 0.262 4.788 4.527 -0.001 0.000 0.299 224 F C 1.851 177.655 175.800 0.006 0.000 1.090 224 F CA 0.901 58.917 58.000 0.026 0.000 1.307 224 F CB -0.144 38.882 39.000 0.044 0.000 1.019 224 F HN 0.088 nan 8.300 nan 0.000 0.489 225 L N -0.738 120.521 121.223 0.060 0.000 2.298 225 L HA 0.006 4.346 4.340 -0.001 0.000 0.209 225 L C 0.507 177.301 176.870 -0.127 0.000 1.084 225 L CA -0.028 54.817 54.840 0.009 0.000 0.816 225 L CB -0.625 41.531 42.059 0.161 0.000 0.967 225 L HN -0.041 nan 8.230 nan 0.000 0.460 226 N N 0.648 119.160 118.700 -0.313 0.000 2.412 226 N HA 0.099 4.838 4.740 -0.001 0.000 0.258 226 N C 1.047 176.465 175.510 -0.154 0.000 1.236 226 N CA 1.405 54.228 53.050 -0.377 0.000 0.882 226 N CB 0.822 38.881 38.487 -0.713 0.000 1.066 226 N HN 0.328 nan 8.380 nan 0.000 0.465 227 G N 1.045 109.797 108.800 -0.079 0.000 2.234 227 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.260 227 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.260 227 G C 0.532 175.498 174.900 0.110 0.000 0.987 227 G CA 0.418 45.537 45.100 0.031 0.000 0.625 227 G HN 0.939 nan 8.290 nan 0.000 0.532 228 G N 0.016 108.833 108.800 0.028 0.000 2.532 228 G HA2 0.668 4.627 3.960 -0.001 0.000 0.291 228 G HA3 0.668 4.627 3.960 -0.001 0.000 0.291 228 G C -0.540 174.228 174.900 -0.221 0.000 1.349 228 G CA -0.111 45.021 45.100 0.052 0.000 1.038 228 G HN 0.096 nan 8.290 nan 0.000 0.518 229 P HA -0.018 nan 4.420 nan 0.000 0.222 229 P C 0.271 177.084 177.300 -0.812 0.000 1.147 229 P CA 0.987 63.545 63.100 -0.903 0.000 0.790 229 P CB 0.109 31.428 31.700 -0.636 0.000 0.780 230 F N -0.787 119.034 119.950 -0.216 0.000 2.850 230 F HA 0.455 4.981 4.527 -0.001 0.000 0.306 230 F C 1.923 177.635 175.800 -0.146 0.000 1.162 230 F CA -0.465 57.436 58.000 -0.164 0.000 1.327 230 F CB -0.502 38.546 39.000 0.079 0.000 0.953 230 F HN -0.124 nan 8.300 nan 0.000 0.507 231 A N 0.111 122.888 122.820 -0.073 0.000 2.172 231 A HA 0.026 4.345 4.320 -0.001 0.000 0.216 231 A C 2.513 180.071 177.584 -0.044 0.000 1.154 231 A CA 1.468 53.470 52.037 -0.058 0.000 0.701 231 A CB -1.025 17.922 19.000 -0.088 0.000 0.789 231 A HN 0.495 nan 8.150 nan 0.000 0.465 232 G N -0.663 108.093 108.800 -0.073 0.000 2.442 232 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.219 232 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.219 232 G C 1.191 176.091 174.900 0.001 0.000 1.141 232 G CA 1.124 46.210 45.100 -0.023 0.000 0.763 232 G HN 0.454 nan 8.290 nan 0.000 0.554 233 F N 1.671 121.728 119.950 0.178 0.000 2.234 233 F HA 0.182 4.708 4.527 -0.001 0.000 0.299 233 F C 2.904 178.861 175.800 0.262 0.000 1.087 233 F CA 0.115 58.246 58.000 0.219 0.000 1.340 233 F CB -0.740 38.411 39.000 0.252 0.000 1.031 233 F HN 0.248 nan 8.300 nan 0.000 0.500 234 A N 0.092 123.097 122.820 0.309 0.000 1.877 234 A HA -0.140 4.179 4.320 -0.001 0.000 0.216 234 A C 2.171 179.931 177.584 0.293 0.000 1.186 234 A CA 1.521 53.702 52.037 0.241 0.000 0.620 234 A CB -1.087 17.823 19.000 -0.151 0.000 0.822 234 A HN 0.328 nan 8.150 nan 0.000 0.443 235 L N -0.235 121.057 121.223 0.114 0.000 2.056 235 L HA -0.014 4.325 4.340 -0.001 0.000 0.207 235 L C 2.621 179.543 176.870 0.087 0.000 1.078 235 L CA 2.155 57.003 54.840 0.014 0.000 0.749 235 L CB -0.769 41.131 42.059 -0.266 0.000 0.901 235 L HN 0.329 nan 8.230 nan 0.000 0.433 236 A N -0.416 122.515 122.820 0.185 0.000 1.908 236 A HA -0.088 4.232 4.320 -0.001 0.000 0.218 236 A C 2.342 180.206 177.584 0.467 0.000 1.181 236 A CA 1.584 53.801 52.037 0.301 0.000 0.627 236 A CB -1.606 17.568 19.000 0.291 0.000 0.818 236 A HN 0.537 nan 8.150 nan 0.000 0.445 237 G N -0.615 108.469 108.800 0.474 0.000 2.418 237 G HA2 -0.111 3.848 3.960 -0.001 0.000 0.217 237 G HA3 -0.111 3.848 3.960 -0.001 0.000 0.217 237 G C 1.502 176.469 174.900 0.112 0.000 1.158 237 G CA 1.241 46.485 45.100 0.239 0.000 0.771 237 G HN 0.326 nan 8.290 nan 0.000 0.545 238 V N 0.740 120.721 119.914 0.111 0.000 2.343 238 V HA -0.174 3.946 4.120 -0.001 0.000 0.247 238 V C 3.019 179.135 176.094 0.035 0.000 1.051 238 V CA 2.180 64.487 62.300 0.011 0.000 1.036 238 V CB -0.341 31.471 31.823 -0.017 0.000 0.654 238 V HN 0.487 nan 8.190 nan 0.000 0.451 239 S N 0.446 116.188 115.700 0.071 0.000 2.348 239 S HA -0.135 4.334 4.470 -0.001 0.000 0.221 239 S C 2.098 176.753 174.600 0.093 0.000 1.033 239 S CA 1.889 60.131 58.200 0.070 0.000 1.010 239 S CB -0.664 62.580 63.200 0.073 0.000 0.891 239 S HN 0.619 nan 8.310 nan 0.000 0.442 240 G N 1.431 110.316 108.800 0.141 0.000 2.418 240 G HA2 -0.081 3.878 3.960 -0.001 0.000 0.217 240 G HA3 -0.081 3.878 3.960 -0.001 0.000 0.217 240 G C 1.471 176.410 174.900 0.065 0.000 1.158 240 G CA 0.836 46.013 45.100 0.128 0.000 0.771 240 G HN 0.511 nan 8.290 nan 0.000 0.545 241 L N 0.767 122.018 121.223 0.047 0.000 2.083 241 L HA -0.076 4.264 4.340 -0.001 0.000 0.209 241 L C 3.170 180.124 176.870 0.140 0.000 1.083 241 L CA 1.169 56.061 54.840 0.086 0.000 0.752 241 L CB -0.349 41.715 42.059 0.009 0.000 0.899 241 L HN 0.182 nan 8.230 nan 0.000 0.433 242 S N 0.060 115.806 115.700 0.076 0.000 2.399 242 S HA -0.110 4.359 4.470 -0.001 0.000 0.231 242 S C 1.931 176.571 174.600 0.067 0.000 1.022 242 S CA 1.068 59.313 58.200 0.074 0.000 0.983 242 S CB -0.213 63.017 63.200 0.050 0.000 0.803 242 S HN 0.299 nan 8.310 nan 0.000 0.480 243 L N 0.586 121.841 121.223 0.053 0.000 2.291 243 L HA -0.001 4.338 4.340 -0.001 0.000 0.214 243 L C 2.435 179.300 176.870 -0.008 0.000 1.120 243 L CA 0.966 55.825 54.840 0.032 0.000 0.799 243 L CB -0.361 41.724 42.059 0.044 0.000 0.925 243 L HN 0.327 nan 8.230 nan 0.000 0.446 244 A N -2.287 120.514 122.820 -0.032 0.000 2.095 244 A HA 0.055 4.374 4.320 -0.001 0.000 0.212 244 A C 0.610 177.977 177.584 -0.360 0.000 1.162 244 A CA 0.236 52.161 52.037 -0.188 0.000 0.753 244 A CB -0.008 18.854 19.000 -0.230 0.000 0.840 244 A HN 0.317 nan 8.150 nan 0.000 0.468 245 H N -0.638 118.407 119.070 -0.042 0.000 2.792 245 H HA 0.223 4.778 4.556 -0.001 0.000 0.298 245 H C -2.232 173.081 175.328 -0.024 0.000 1.042 245 H CA -1.675 54.345 56.048 -0.046 0.000 1.300 245 H CB 1.387 31.115 29.762 -0.057 0.000 1.431 245 H HN 0.134 nan 8.280 nan 0.000 0.496 246 P HA -0.160 nan 4.420 nan 0.000 0.218 246 P C 1.075 178.411 177.300 0.060 0.000 1.149 246 P CA 1.034 64.160 63.100 0.043 0.000 0.817 246 P CB 0.493 32.203 31.700 0.016 0.000 0.785 247 D N -0.437 120.001 120.400 0.064 0.000 2.104 247 D HA -0.207 4.433 4.640 -0.001 0.000 0.194 247 D C 1.920 178.265 176.300 0.076 0.000 0.994 247 D CA 1.205 55.239 54.000 0.056 0.000 0.830 247 D CB -0.757 40.058 40.800 0.025 0.000 0.959 247 D HN 0.210 nan 8.370 nan 0.000 0.452 248 M N 0.634 120.272 119.600 0.064 0.000 2.175 248 M HA -0.178 4.301 4.480 -0.001 0.000 0.264 248 M C 2.198 178.568 176.300 0.117 0.000 1.063 248 M CA 1.418 56.755 55.300 0.061 0.000 1.119 248 M CB 0.119 32.723 32.600 0.006 0.000 1.377 248 M HN -0.182 nan 8.290 nan 0.000 0.415 249 E N 0.191 120.447 120.200 0.093 0.000 2.038 249 E HA -0.178 4.171 4.350 -0.001 0.000 0.195 249 E C 1.774 178.421 176.600 0.079 0.000 1.000 249 E CA 2.441 58.885 56.400 0.074 0.000 0.803 249 E CB -0.336 29.396 29.700 0.054 0.000 0.750 249 E HN 0.470 nan 8.360 nan 0.000 0.448 250 S N -0.575 115.177 115.700 0.086 0.000 2.383 250 S HA -0.128 4.342 4.470 -0.001 0.000 0.229 250 S C 1.621 176.278 174.600 0.095 0.000 1.030 250 S CA 1.084 59.329 58.200 0.075 0.000 1.002 250 S CB -0.524 62.720 63.200 0.072 0.000 0.829 250 S HN 0.398 nan 8.310 nan 0.000 0.467 251 F N 1.830 121.778 119.950 -0.003 0.000 2.102 251 F HA -0.044 4.482 4.527 -0.001 0.000 0.298 251 F C 1.845 177.642 175.800 -0.004 0.000 1.105 251 F CA 1.282 59.279 58.000 -0.005 0.000 1.239 251 F CB -0.229 38.765 39.000 -0.011 0.000 0.991 251 F HN 0.124 nan 8.300 nan 0.000 0.474 252 I N -0.107 120.542 120.570 0.133 0.000 2.286 252 I HA -0.206 3.963 4.170 -0.001 0.000 0.245 252 I C 2.283 178.382 176.117 -0.031 0.000 1.104 252 I CA 0.982 62.305 61.300 0.039 0.000 1.397 252 I CB -0.565 37.485 38.000 0.083 0.000 1.072 252 I HN 0.101 nan 8.210 nan 0.000 0.417 253 E N 1.184 121.377 120.200 -0.011 0.000 2.097 253 E HA -0.262 4.087 4.350 -0.001 0.000 0.196 253 E C 2.248 178.817 176.600 -0.051 0.000 1.000 253 E CA 1.669 58.056 56.400 -0.023 0.000 0.804 253 E CB -0.234 29.462 29.700 -0.006 0.000 0.740 253 E HN 0.530 nan 8.360 nan 0.000 0.454 254 A N 0.705 123.474 122.820 -0.085 0.000 2.119 254 A HA -0.067 4.253 4.320 -0.001 0.000 0.217 254 A C 1.948 179.449 177.584 -0.138 0.000 1.153 254 A CA 0.763 52.734 52.037 -0.110 0.000 0.692 254 A CB -0.081 18.838 19.000 -0.134 0.000 0.799 254 A HN 0.040 nan 8.150 nan 0.000 0.458 255 R N -1.299 119.105 120.500 -0.160 0.000 2.404 255 R HA 0.354 4.693 4.340 -0.001 0.000 0.237 255 R C -0.407 175.852 176.300 -0.069 0.000 0.907 255 R CA -0.281 55.732 56.100 -0.145 0.000 1.063 255 R CB 0.180 30.340 30.300 -0.233 0.000 1.134 255 R HN 0.348 nan 8.270 nan 0.000 0.529 256 L N 3.121 124.313 121.223 -0.051 0.000 2.410 256 L HA 0.049 4.388 4.340 -0.001 0.000 0.273 256 L C 0.217 177.074 176.870 -0.021 0.000 1.152 256 L CA -0.406 54.419 54.840 -0.025 0.000 0.855 256 L CB 0.234 42.279 42.059 -0.023 0.000 1.129 256 L HN 0.240 nan 8.230 nan 0.000 0.463 257 N N 2.647 121.342 118.700 -0.008 0.000 2.366 257 N HA 0.221 4.960 4.740 -0.001 0.000 0.277 257 N C 0.799 176.306 175.510 -0.005 0.000 1.275 257 N CA -0.014 53.033 53.050 -0.005 0.000 0.964 257 N CB 0.353 38.843 38.487 0.005 0.000 1.167 257 N HN 0.542 nan 8.380 nan 0.000 0.568 258 A N -0.500 122.319 122.820 -0.003 0.000 1.908 258 A HA -0.240 4.079 4.320 -0.001 0.000 0.218 258 A C 2.033 179.617 177.584 -0.000 0.000 1.181 258 A CA 1.855 53.891 52.037 -0.003 0.000 0.627 258 A CB -0.931 18.069 19.000 -0.001 0.000 0.818 258 A HN 0.795 nan 8.150 nan 0.000 0.445 259 K N -0.784 119.619 120.400 0.006 0.000 2.057 259 K HA -0.112 4.207 4.320 -0.001 0.000 0.207 259 K C 2.058 178.660 176.600 0.004 0.000 1.049 259 K CA 1.416 57.710 56.287 0.011 0.000 0.931 259 K CB -0.524 31.988 32.500 0.020 0.000 0.714 259 K HN 0.400 nan 8.250 nan 0.000 0.440 260 G N 0.640 109.440 108.800 -0.001 0.000 2.408 260 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.217 260 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.217 260 G C 1.303 176.190 174.900 -0.022 0.000 1.150 260 G CA 0.442 45.534 45.100 -0.013 0.000 0.776 260 G HN 0.404 nan 8.290 nan 0.000 0.542 261 Q N -0.451 119.339 119.800 -0.017 0.000 2.079 261 Q HA -0.093 4.247 4.340 -0.001 0.000 0.200 261 Q C 2.794 178.779 176.000 -0.025 0.000 0.974 261 Q CA 1.079 56.870 55.803 -0.021 0.000 0.840 261 Q CB -0.105 28.623 28.738 -0.017 0.000 0.898 261 Q HN 0.348 nan 8.270 nan 0.000 0.430 262 Q N -0.329 119.460 119.800 -0.018 0.000 2.123 262 Q HA -0.066 4.273 4.340 -0.001 0.000 0.199 262 Q C 2.060 178.044 176.000 -0.027 0.000 0.966 262 Q CA 1.355 57.147 55.803 -0.019 0.000 0.845 262 Q CB -0.284 28.450 28.738 -0.007 0.000 0.907 262 Q HN 0.370 nan 8.270 nan 0.000 0.439 263 T N 1.721 116.262 114.554 -0.021 0.000 2.777 263 T HA -0.096 4.254 4.350 -0.001 0.000 0.266 263 T C 1.887 176.530 174.700 -0.094 0.000 1.040 263 T CA 0.713 62.797 62.100 -0.026 0.000 1.141 263 T CB -0.210 68.641 68.868 -0.029 0.000 0.868 263 T HN 0.076 nan 8.240 nan 0.000 0.444 264 L N 1.088 122.260 121.223 -0.085 0.000 2.093 264 L HA 0.027 4.366 4.340 -0.001 0.000 0.208 264 L C 2.204 179.022 176.870 -0.086 0.000 1.085 264 L CA 1.729 56.517 54.840 -0.087 0.000 0.755 264 L CB -0.366 41.661 42.059 -0.053 0.000 0.904 264 L HN 0.090 nan 8.230 nan 0.000 0.435 265 K N -1.041 119.315 120.400 -0.073 0.000 2.097 265 K HA -0.230 4.090 4.320 -0.001 0.000 0.206 265 K C 2.098 178.626 176.600 -0.120 0.000 1.049 265 K CA 1.588 57.832 56.287 -0.073 0.000 0.933 265 K CB -0.208 32.260 32.500 -0.054 0.000 0.717 265 K HN 0.467 nan 8.250 nan 0.000 0.442 266 Q N 1.105 120.805 119.800 -0.166 0.000 2.050 266 Q HA -0.134 4.205 4.340 -0.001 0.000 0.202 266 Q C 2.111 177.720 176.000 -0.652 0.000 0.980 266 Q CA 1.287 56.907 55.803 -0.306 0.000 0.840 266 Q CB -0.016 28.576 28.738 -0.243 0.000 0.898 266 Q HN 0.341 nan 8.270 nan 0.000 0.424 267 I N 0.087 120.327 120.570 -0.549 0.000 2.676 267 I HA -0.170 3.999 4.170 -0.001 0.000 0.259 267 I C 1.530 177.556 176.117 -0.151 0.000 1.194 267 I CA 0.794 61.781 61.300 -0.522 0.000 1.473 267 I CB 0.145 38.014 38.000 -0.218 0.000 1.096 267 I HN 0.108 nan 8.210 nan 0.000 0.443 268 R N 0.420 120.860 120.500 -0.100 0.000 2.334 268 R HA 0.183 4.523 4.340 -0.001 0.000 0.216 268 R C 0.850 177.168 176.300 0.029 0.000 0.905 268 R CA 0.107 56.214 56.100 0.013 0.000 1.064 268 R CB 0.239 30.548 30.300 0.015 0.000 1.046 268 R HN 0.303 nan 8.270 nan 0.000 0.508 269 G N 1.120 109.905 108.800 -0.024 0.000 2.483 269 G HA2 0.025 3.984 3.960 -0.001 0.000 0.248 269 G HA3 0.025 3.984 3.960 -0.001 0.000 0.248 269 G C -0.558 174.377 174.900 0.058 0.000 1.248 269 G CA -0.503 44.589 45.100 -0.013 0.000 0.838 269 G HN 0.211 nan 8.290 nan 0.000 0.566 270 R N 0.808 121.259 120.500 -0.081 0.000 2.502 270 R HA 0.331 4.670 4.340 -0.001 0.000 0.292 270 R C 1.417 177.757 176.300 0.066 0.000 0.998 270 R CA 1.305 57.351 56.100 -0.090 0.000 1.056 270 R CB -0.159 29.894 30.300 -0.412 0.000 0.939 270 R HN 1.246 nan 8.270 nan 0.000 0.411 271 G N 3.706 112.594 108.800 0.148 0.000 2.199 271 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.254 271 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.254 271 G C -0.080 174.894 174.900 0.124 0.000 0.982 271 G CA 0.057 45.230 45.100 0.122 0.000 0.632 271 G HN 0.609 nan 8.290 nan 0.000 0.529 272 F N 2.524 122.499 119.950 0.042 0.000 2.423 272 F HA 0.562 5.087 4.527 -0.002 0.000 0.356 272 F C 1.055 176.881 175.800 0.043 0.000 1.170 272 F CA -0.300 57.720 58.000 0.034 0.000 1.163 272 F CB -0.014 39.012 39.000 0.043 0.000 1.318 272 F HN 0.222 nan 8.300 nan 0.000 0.569 273 c N 4.273 122.826 118.600 -0.078 0.000 2.924 273 c HA 0.271 4.840 4.570 -0.001 0.000 0.399 273 c C 1.926 175.964 174.090 -0.088 0.000 1.795 273 c CA -0.846 55.474 56.329 -0.015 0.000 1.685 273 c CB 0.886 43.396 42.510 -0.000 0.000 2.218 273 c HN 0.918 nan 8.230 nan 0.000 0.474 274 L N 1.629 122.829 121.223 -0.038 0.000 1.997 274 L HA -0.126 4.213 4.340 -0.001 0.000 0.216 274 L C -0.835 175.971 176.870 -0.106 0.000 1.074 274 L CA 2.403 57.228 54.840 -0.024 0.000 0.763 274 L CB -1.225 40.821 42.059 -0.022 0.000 0.890 274 L HN 0.536 nan 8.230 nan 0.000 0.434 275 P HA -0.188 nan 4.420 nan 0.000 0.216 275 P C 1.230 178.368 177.300 -0.269 0.000 1.150 275 P CA 1.326 64.326 63.100 -0.167 0.000 0.837 275 P CB 0.041 31.658 31.700 -0.138 0.000 0.786 276 Q N -0.961 118.583 119.800 -0.427 0.000 2.167 276 Q HA -0.071 4.269 4.340 -0.001 0.000 0.202 276 Q C 2.121 177.721 176.000 -0.666 0.000 0.970 276 Q CA 1.025 56.364 55.803 -0.773 0.000 0.855 276 Q CB -1.335 26.505 28.738 -1.497 0.000 0.911 276 Q HN 0.084 nan 8.270 nan 0.000 0.438 277 V N -0.417 119.296 119.914 -0.335 0.000 2.295 277 V HA -0.228 3.891 4.120 -0.001 0.000 0.246 277 V C 2.061 178.056 176.094 -0.165 0.000 1.049 277 V CA 1.481 63.792 62.300 0.019 0.000 1.024 277 V CB -0.553 31.300 31.823 0.050 0.000 0.648 277 V HN 0.182 nan 8.190 nan 0.000 0.447 278 V N -0.304 119.448 119.914 -0.270 0.000 2.295 278 V HA -0.236 3.884 4.120 -0.001 0.000 0.246 278 V C 2.246 178.170 176.094 -0.283 0.000 1.049 278 V CA 1.991 64.121 62.300 -0.282 0.000 1.024 278 V CB -0.501 31.244 31.823 -0.130 0.000 0.648 278 V HN 0.434 nan 8.190 nan 0.000 0.447 279 L N -0.527 120.538 121.223 -0.262 0.000 2.179 279 L HA -0.085 4.254 4.340 -0.001 0.000 0.208 279 L C 2.491 179.201 176.870 -0.268 0.000 1.096 279 L CA 1.530 56.222 54.840 -0.246 0.000 0.779 279 L CB -0.657 41.273 42.059 -0.215 0.000 0.922 279 L HN 0.358 nan 8.230 nan 0.000 0.443 280 T N -1.874 112.468 114.554 -0.353 0.000 2.937 280 T HA -0.061 4.289 4.350 -0.001 0.000 0.260 280 T C 0.716 175.121 174.700 -0.491 0.000 1.051 280 T CA 0.944 62.753 62.100 -0.484 0.000 1.141 280 T CB -0.070 68.392 68.868 -0.676 0.000 0.879 280 T HN 0.176 nan 8.240 nan 0.000 0.459 281 Y N 1.045 121.294 120.300 -0.085 0.000 2.681 281 Y HA 0.307 4.857 4.550 -0.001 0.000 0.267 281 Y C -2.388 173.383 175.900 -0.215 0.000 1.166 281 Y CA -3.358 54.679 58.100 -0.105 0.000 1.209 281 Y CB -0.461 37.957 38.460 -0.070 0.000 1.161 281 Y HN 0.107 nan 8.280 nan 0.000 0.534 282 P HA -0.037 nan 4.420 nan 0.000 0.267 282 P C -0.185 176.853 177.300 -0.437 0.000 1.205 282 P CA 0.568 63.310 63.100 -0.595 0.000 0.765 282 P CB 0.449 31.656 31.700 -0.822 0.000 0.828 283 F N -1.794 118.125 119.950 -0.052 0.000 2.884 283 F HA -0.223 4.302 4.527 -0.002 0.000 0.294 283 F C 0.622 176.416 175.800 -0.010 0.000 0.723 283 F CA -0.094 57.884 58.000 -0.035 0.000 1.294 283 F CB -2.489 36.489 39.000 -0.037 0.000 1.551 283 F HN 0.205 nan 8.300 nan 0.000 0.363 284 L N 1.920 123.198 121.223 0.092 0.000 2.410 284 L HA 0.411 4.751 4.340 -0.001 0.000 0.273 284 L C 0.404 177.292 176.870 0.030 0.000 1.152 284 L CA -0.070 54.815 54.840 0.074 0.000 0.855 284 L CB 0.505 42.605 42.059 0.069 0.000 1.129 284 L HN 0.183 nan 8.230 nan 0.000 0.463 285 N N 3.813 122.542 118.700 0.048 0.000 2.439 285 N HA 0.140 4.879 4.740 -0.001 0.000 0.249 285 N C 0.714 176.233 175.510 0.015 0.000 1.003 285 N CA -0.341 52.736 53.050 0.044 0.000 0.942 285 N CB 1.264 39.822 38.487 0.119 0.000 1.115 285 N HN 0.540 nan 8.380 nan 0.000 0.505 286 V N 3.595 123.455 119.914 -0.091 0.000 2.469 286 V HA -0.218 3.901 4.120 -0.001 0.000 0.251 286 V C 1.386 177.434 176.094 -0.077 0.000 1.064 286 V CA 1.460 63.697 62.300 -0.107 0.000 1.066 286 V CB -0.895 30.890 31.823 -0.064 0.000 0.667 286 V HN 0.575 nan 8.190 nan 0.000 0.461 287 F N 1.169 121.203 119.950 0.140 0.000 2.365 287 F HA -0.126 4.400 4.527 -0.002 0.000 0.300 287 F C 2.621 178.460 175.800 0.065 0.000 1.090 287 F CA 1.285 59.350 58.000 0.109 0.000 1.408 287 F CB -0.953 38.114 39.000 0.112 0.000 1.060 287 F HN 0.300 nan 8.300 nan 0.000 0.534 288 S N -0.299 115.522 115.700 0.201 0.000 2.555 288 S HA -0.040 4.430 4.470 -0.001 0.000 0.230 288 S C 1.550 176.199 174.600 0.082 0.000 0.978 288 S CA 0.594 58.868 58.200 0.124 0.000 0.934 288 S CB -0.748 62.510 63.200 0.096 0.000 0.766 288 S HN 0.471 nan 8.310 nan 0.000 0.533 289 L N 1.275 122.541 121.223 0.071 0.000 2.554 289 L HA 0.319 4.658 4.340 -0.001 0.000 0.225 289 L C 0.537 177.430 176.870 0.039 0.000 1.104 289 L CA -0.214 54.648 54.840 0.036 0.000 0.866 289 L CB 0.181 42.242 42.059 0.002 0.000 1.047 289 L HN 0.352 nan 8.230 nan 0.000 0.468 290 V N -3.829 116.130 119.914 0.074 0.000 3.113 290 V HA 0.387 4.506 4.120 -0.001 0.000 0.316 290 V C 0.650 176.781 176.094 0.062 0.000 1.125 290 V CA -0.751 61.587 62.300 0.063 0.000 1.026 290 V CB 1.561 33.438 31.823 0.089 0.000 1.080 290 V HN 0.202 nan 8.190 nan 0.000 0.444 291 N N -0.340 118.375 118.700 0.026 0.000 2.461 291 N HA 0.060 4.799 4.740 -0.001 0.000 0.188 291 N C -0.321 175.204 175.510 0.025 0.000 1.134 291 N CA 0.402 53.462 53.050 0.016 0.000 0.878 291 N CB 0.011 38.490 38.487 -0.013 0.000 0.972 291 N HN 0.831 nan 8.380 nan 0.000 0.456 292 D N -0.762 119.670 120.400 0.054 0.000 2.788 292 D HA 0.289 4.929 4.640 -0.001 0.000 0.247 292 D C 0.017 176.371 176.300 0.091 0.000 1.236 292 D CA -0.351 53.683 54.000 0.057 0.000 0.898 292 D CB 1.813 42.647 40.800 0.055 0.000 1.401 292 D HN -0.061 nan 8.370 nan 0.000 0.549 293 T N 1.671 116.220 114.554 -0.009 0.000 3.023 293 T HA -0.020 4.329 4.350 -0.001 0.000 0.266 293 T C 1.294 175.832 174.700 -0.270 0.000 1.093 293 T CA 0.271 62.245 62.100 -0.209 0.000 1.129 293 T CB 0.022 68.738 68.868 -0.253 0.000 0.899 293 T HN 0.407 nan 8.240 nan 0.000 0.491 294 N N 0.923 119.581 118.700 -0.070 0.000 2.322 294 N HA 0.098 4.837 4.740 -0.001 0.000 0.216 294 N C 1.286 176.846 175.510 0.083 0.000 1.144 294 N CA -0.165 52.872 53.050 -0.021 0.000 0.830 294 N CB -0.000 38.485 38.487 -0.002 0.000 1.034 294 N HN 0.175 nan 8.380 nan 0.000 0.484 295 L N 0.505 121.833 121.223 0.175 0.000 2.013 295 L HA -0.169 4.170 4.340 -0.001 0.000 0.212 295 L C 1.807 178.773 176.870 0.160 0.000 1.073 295 L CA 1.520 56.519 54.840 0.265 0.000 0.753 295 L CB -0.222 42.045 42.059 0.348 0.000 0.890 295 L HN 0.221 nan 8.230 nan 0.000 0.432 296 L N -0.904 120.411 121.223 0.153 0.000 2.291 296 L HA -0.106 4.234 4.340 -0.001 0.000 0.214 296 L C 1.627 178.501 176.870 0.006 0.000 1.120 296 L CA 1.439 56.307 54.840 0.048 0.000 0.799 296 L CB -0.874 41.241 42.059 0.093 0.000 0.925 296 L HN 0.371 nan 8.230 nan 0.000 0.446 297 N N -1.236 117.478 118.700 0.023 0.000 2.322 297 N HA 0.077 4.817 4.740 -0.001 0.000 0.194 297 N C -0.170 175.327 175.510 -0.022 0.000 1.126 297 N CA 0.024 53.074 53.050 0.001 0.000 0.845 297 N CB 0.368 38.862 38.487 0.011 0.000 0.976 297 N HN 0.370 nan 8.380 nan 0.000 0.475 298 E N 0.271 120.442 120.200 -0.049 0.000 2.235 298 E HA 0.601 4.951 4.350 -0.001 0.000 0.265 298 E C -0.685 175.769 176.600 -0.244 0.000 0.940 298 E CA -1.058 55.288 56.400 -0.090 0.000 0.819 298 E CB 1.666 31.371 29.700 0.009 0.000 1.206 298 E HN 0.098 nan 8.360 nan 0.000 0.409 299 A N 2.370 125.052 122.820 -0.231 0.000 2.425 299 A HA 0.236 4.555 4.320 -0.001 0.000 0.249 299 A C -1.692 175.535 177.584 -0.594 0.000 1.084 299 A CA -0.915 50.949 52.037 -0.290 0.000 0.781 299 A CB -0.060 18.851 19.000 -0.149 0.000 1.019 299 A HN 0.471 nan 8.150 nan 0.000 0.490 300 P HA 0.100 nan 4.420 nan 0.000 0.251 300 P C 1.157 178.269 177.300 -0.313 0.000 1.223 300 P CA 0.292 63.199 63.100 -0.322 0.000 0.796 300 P CB 0.081 31.648 31.700 -0.221 0.000 1.068 301 I N 0.527 120.852 120.570 -0.408 0.000 2.208 301 I HA -0.256 3.914 4.170 -0.001 0.000 0.245 301 I C 2.490 178.486 176.117 -0.202 0.000 1.097 301 I CA 1.524 62.650 61.300 -0.290 0.000 1.363 301 I CB -0.856 36.988 38.000 -0.261 0.000 1.051 301 I HN -0.060 nan 8.210 nan 0.000 0.413 302 A N 1.028 123.744 122.820 -0.174 0.000 1.883 302 A HA -0.170 4.150 4.320 -0.001 0.000 0.217 302 A C 2.448 179.983 177.584 -0.082 0.000 1.186 302 A CA 2.122 54.097 52.037 -0.102 0.000 0.624 302 A CB -1.474 17.477 19.000 -0.081 0.000 0.822 302 A HN 0.474 nan 8.150 nan 0.000 0.444 303 G N -0.400 108.341 108.800 -0.098 0.000 2.408 303 G HA2 -0.107 3.853 3.960 -0.001 0.000 0.217 303 G HA3 -0.107 3.853 3.960 -0.001 0.000 0.217 303 G C 1.506 176.362 174.900 -0.073 0.000 1.150 303 G CA 0.981 46.041 45.100 -0.067 0.000 0.776 303 G HN 0.478 nan 8.290 nan 0.000 0.542 304 I N 0.367 120.846 120.570 -0.151 0.000 2.286 304 I HA -0.106 4.063 4.170 -0.001 0.000 0.248 304 I C 2.555 178.595 176.117 -0.128 0.000 1.115 304 I CA 0.671 61.830 61.300 -0.235 0.000 1.392 304 I CB -0.105 37.620 38.000 -0.457 0.000 1.065 304 I HN 0.115 nan 8.210 nan 0.000 0.418 305 L N 0.282 121.452 121.223 -0.090 0.000 2.201 305 L HA -0.170 4.169 4.340 -0.001 0.000 0.212 305 L C 2.319 179.228 176.870 0.065 0.000 1.105 305 L CA 1.209 56.038 54.840 -0.018 0.000 0.775 305 L CB -0.439 41.600 42.059 -0.034 0.000 0.913 305 L HN 0.188 nan 8.230 nan 0.000 0.440 306 K N -0.431 120.009 120.400 0.067 0.000 2.296 306 K HA -0.104 4.215 4.320 -0.001 0.000 0.200 306 K C 2.041 178.802 176.600 0.268 0.000 1.048 306 K CA 0.757 57.120 56.287 0.127 0.000 0.966 306 K CB 0.070 32.622 32.500 0.086 0.000 0.754 306 K HN 0.394 nan 8.250 nan 0.000 0.466 307 Q N 0.499 120.446 119.800 0.246 0.000 2.163 307 Q HA -0.028 4.312 4.340 -0.001 0.000 0.198 307 Q C 0.415 176.752 176.000 0.561 0.000 0.954 307 Q CA 0.682 56.704 55.803 0.366 0.000 0.851 307 Q CB 0.418 29.251 28.738 0.158 0.000 0.928 307 Q HN 0.126 nan 8.270 nan 0.000 0.459 308 E N 1.259 121.684 120.200 0.374 0.000 2.368 308 E HA 0.102 4.451 4.350 -0.001 0.000 0.283 308 E C -0.594 176.285 176.600 0.464 0.000 1.476 308 E CA 0.169 56.789 56.400 0.367 0.000 1.786 308 E CB 0.433 30.215 29.700 0.137 0.000 1.518 308 E HN 0.009 nan 8.360 nan 0.000 0.456 309 T N -1.586 113.309 114.554 0.570 0.000 2.942 309 T HA 0.221 4.570 4.350 -0.001 0.000 0.327 309 T C 0.351 175.091 174.700 0.067 0.000 1.360 309 T CA -0.612 61.666 62.100 0.296 0.000 1.055 309 T CB 1.355 70.313 68.868 0.151 0.000 1.261 309 T HN -0.032 nan 8.240 nan 0.000 0.485 310 V N 1.773 121.549 119.914 -0.229 0.000 3.483 310 V HA 0.493 4.613 4.120 -0.001 0.000 0.301 310 V C 0.376 176.408 176.094 -0.104 0.000 1.389 310 V CA -0.162 61.926 62.300 -0.354 0.000 1.101 310 V CB 0.199 31.597 31.823 -0.708 0.000 0.971 310 V HN 0.570 nan 8.190 nan 0.000 0.434 311 V N 2.063 121.930 119.914 -0.078 0.000 2.405 311 V HA 0.175 4.294 4.120 -0.001 0.000 0.264 311 V C 1.567 177.598 176.094 -0.106 0.000 1.048 311 V CA 0.295 62.571 62.300 -0.040 0.000 0.966 311 V CB 0.814 32.613 31.823 -0.040 0.000 1.015 311 V HN 0.555 nan 8.190 nan 0.000 0.477 312 Q N 5.754 125.471 119.800 -0.138 0.000 2.181 312 Q HA -0.172 4.167 4.340 -0.001 0.000 0.205 312 Q C 2.109 178.026 176.000 -0.138 0.000 0.980 312 Q CA 2.207 57.898 55.803 -0.186 0.000 0.862 312 Q CB -0.220 28.407 28.738 -0.186 0.000 0.905 312 Q HN 0.886 nan 8.270 nan 0.000 0.429 313 A N -0.094 122.665 122.820 -0.102 0.000 2.070 313 A HA -0.191 4.128 4.320 -0.001 0.000 0.220 313 A C 1.714 179.265 177.584 -0.055 0.000 1.159 313 A CA 1.699 53.692 52.037 -0.074 0.000 0.656 313 A CB -0.323 18.639 19.000 -0.063 0.000 0.800 313 A HN 0.554 nan 8.150 nan 0.000 0.453 314 E N -0.663 119.505 120.200 -0.053 0.000 2.340 314 E HA 0.307 4.657 4.350 -0.001 0.000 0.198 314 E C 0.881 177.471 176.600 -0.017 0.000 0.961 314 E CA 0.165 56.552 56.400 -0.022 0.000 0.905 314 E CB 0.085 29.784 29.700 -0.001 0.000 0.884 314 E HN 0.547 nan 8.360 nan 0.000 0.491 315 A N 1.391 124.168 122.820 -0.071 0.000 2.445 315 A HA 0.110 4.429 4.320 -0.001 0.000 0.242 315 A C 0.989 178.550 177.584 -0.038 0.000 1.075 315 A CA 0.132 52.115 52.037 -0.090 0.000 0.777 315 A CB 0.324 19.053 19.000 -0.452 0.000 1.013 315 A HN 0.186 nan 8.150 nan 0.000 0.493 316 S N 0.130 115.899 115.700 0.116 0.000 2.597 316 S HA 0.358 4.827 4.470 -0.001 0.000 0.224 316 S C -0.030 174.688 174.600 0.196 0.000 0.955 316 S CA 0.189 58.464 58.200 0.126 0.000 0.933 316 S CB -0.825 62.455 63.200 0.134 0.000 0.788 316 S HN 0.981 nan 8.310 nan 0.000 0.488 317 Y N -1.593 118.734 120.300 0.046 0.000 2.638 317 Y HA 0.740 5.289 4.550 -0.001 0.000 0.339 317 Y C -0.733 175.185 175.900 0.030 0.000 1.084 317 Y CA -1.371 56.758 58.100 0.048 0.000 1.068 317 Y CB 0.484 38.998 38.460 0.089 0.000 1.294 317 Y HN -0.177 nan 8.280 nan 0.000 0.480 318 T N 3.001 117.580 114.554 0.042 0.000 2.727 318 T HA 0.353 4.703 4.350 -0.001 0.000 0.295 318 T C -0.214 174.443 174.700 -0.070 0.000 0.915 318 T CA -0.475 61.582 62.100 -0.072 0.000 1.066 318 T CB 0.008 68.881 68.868 0.009 0.000 0.891 318 T HN 0.539 nan 8.240 nan 0.000 0.516 319 V N 3.890 123.618 119.914 -0.310 0.000 2.637 319 V HA 0.157 4.276 4.120 -0.001 0.000 0.296 319 V C 1.044 177.099 176.094 -0.066 0.000 1.046 319 V CA -0.505 61.677 62.300 -0.197 0.000 1.066 319 V CB 1.270 32.910 31.823 -0.304 0.000 0.968 319 V HN 0.929 nan 8.190 nan 0.000 0.483 320 S N 3.695 119.399 115.700 0.007 0.000 2.572 320 S HA 0.263 4.732 4.470 -0.001 0.000 0.279 320 S C -0.267 174.287 174.600 -0.076 0.000 1.341 320 S CA -0.468 57.726 58.200 -0.011 0.000 1.043 320 S CB 0.720 63.938 63.200 0.029 0.000 0.887 320 S HN 0.553 nan 8.310 nan 0.000 0.516 321 V N 7.222 127.079 119.914 -0.095 0.000 2.276 321 V HA 0.331 4.450 4.120 -0.001 0.000 0.268 321 V C -2.323 173.665 176.094 -0.176 0.000 1.032 321 V CA -1.736 60.469 62.300 -0.158 0.000 0.810 321 V CB 0.580 32.303 31.823 -0.166 0.000 1.060 321 V HN 0.740 nan 8.190 nan 0.000 0.446 322 P HA 0.127 nan 4.420 nan 0.000 0.264 322 P C 0.514 177.501 177.300 -0.521 0.000 1.193 322 P CA 0.091 62.929 63.100 -0.437 0.000 0.763 322 P CB 0.730 32.015 31.700 -0.692 0.000 0.810 323 K N 2.454 122.616 120.400 -0.396 0.000 2.354 323 K HA 0.130 4.450 4.320 -0.001 0.000 0.194 323 K C 0.796 177.308 176.600 -0.147 0.000 1.038 323 K CA 0.182 56.340 56.287 -0.215 0.000 1.052 323 K CB -0.241 32.216 32.500 -0.071 0.000 0.861 323 K HN 0.493 nan 8.250 nan 0.000 0.535 324 F N 2.176 122.144 119.950 0.030 0.000 2.490 324 F HA 0.349 4.876 4.527 -0.001 0.000 0.336 324 F C -2.255 173.597 175.800 0.087 0.000 1.178 324 F CA -3.297 54.729 58.000 0.043 0.000 1.301 324 F CB -1.053 37.968 39.000 0.034 0.000 1.175 324 F HN -0.240 nan 8.300 nan 0.000 0.593 325 P HA 0.228 nan 4.420 nan 0.000 0.265 325 P C -1.042 176.627 177.300 0.615 0.000 1.193 325 P CA 0.059 63.400 63.100 0.401 0.000 0.765 325 P CB 0.517 32.415 31.700 0.330 0.000 0.823 326 R N 1.929 122.678 120.500 0.415 0.000 2.744 326 R HA 0.633 4.972 4.340 -0.001 0.000 0.279 326 R C -1.257 174.908 176.300 -0.226 0.000 0.977 326 R CA -0.667 55.548 56.100 0.191 0.000 0.906 326 R CB 1.591 31.932 30.300 0.070 0.000 1.197 326 R HN 0.362 nan 8.270 nan 0.000 0.463 327 F N 3.710 123.242 119.950 -0.697 0.000 2.477 327 F HA 0.594 5.120 4.527 -0.001 0.000 0.335 327 F C -1.193 174.501 175.800 -0.176 0.000 1.130 327 F CA -0.788 56.831 58.000 -0.636 0.000 0.948 327 F CB 0.868 39.224 39.000 -1.072 0.000 1.154 327 F HN 0.316 nan 8.300 nan 0.000 0.439 328 I N 6.614 126.814 120.570 -0.615 0.000 2.447 328 I HA 0.347 4.517 4.170 -0.001 0.000 0.287 328 I C -1.473 174.498 176.117 -0.242 0.000 1.023 328 I CA -0.687 60.377 61.300 -0.393 0.000 1.083 328 I CB 1.350 39.204 38.000 -0.243 0.000 1.245 328 I HN 0.755 nan 8.210 nan 0.000 0.434 329 W N 5.705 126.791 121.300 -0.356 0.000 2.882 329 W HA 0.819 5.479 4.660 -0.001 0.000 0.345 329 W C -1.421 175.188 176.519 0.151 0.000 1.125 329 W CA -0.907 56.338 57.345 -0.168 0.000 1.167 329 W CB 0.859 30.266 29.460 -0.089 0.000 1.431 329 W HN 0.461 nan 8.180 nan 0.000 0.543 330 H N 1.199 120.397 119.070 0.213 0.000 3.123 330 H HA 0.489 5.044 4.556 -0.001 0.000 0.346 330 H C -0.867 174.645 175.328 0.306 0.000 1.138 330 H CA -0.443 55.734 56.048 0.217 0.000 1.273 330 H CB 1.884 31.831 29.762 0.307 0.000 1.926 330 H HN 0.872 nan 8.280 nan 0.000 0.524 331 A N 4.773 127.854 122.820 0.435 0.000 2.451 331 A HA 0.197 4.516 4.320 -0.001 0.000 0.266 331 A C 1.135 178.850 177.584 0.218 0.000 1.119 331 A CA -0.200 52.045 52.037 0.347 0.000 0.786 331 A CB -0.290 18.868 19.000 0.264 0.000 1.061 331 A HN 0.791 nan 8.150 nan 0.000 0.503 332 I N 3.134 123.633 120.570 -0.119 0.000 2.179 332 I HA -0.109 4.060 4.170 -0.001 0.000 0.242 332 I C -0.744 175.314 176.117 -0.099 0.000 1.088 332 I CA 1.103 62.096 61.300 -0.512 0.000 1.357 332 I CB -0.800 36.814 38.000 -0.643 0.000 1.051 332 I HN 0.460 nan 8.210 nan 0.000 0.409 333 P HA 0.048 nan 4.420 nan 0.000 0.249 333 P C -0.273 177.130 177.300 0.171 0.000 1.593 333 P CA 0.056 63.219 63.100 0.104 0.000 0.896 333 P CB -0.516 31.239 31.700 0.091 0.000 1.581 334 D N 2.075 122.604 120.400 0.215 0.000 2.493 334 D HA -0.083 4.556 4.640 -0.001 0.000 0.240 334 D C 1.105 177.584 176.300 0.298 0.000 1.142 334 D CA 0.503 54.651 54.000 0.247 0.000 0.872 334 D CB 0.943 41.937 40.800 0.323 0.000 1.173 334 D HN 0.248 nan 8.370 nan 0.000 0.467 335 E N 4.246 124.596 120.200 0.250 0.000 2.498 335 E HA 0.032 4.381 4.350 -0.001 0.000 0.203 335 E C 1.056 177.844 176.600 0.313 0.000 1.013 335 E CA 0.180 56.763 56.400 0.305 0.000 0.927 335 E CB 0.179 29.991 29.700 0.187 0.000 1.012 335 E HN 0.564 nan 8.360 nan 0.000 0.482 336 I N -0.046 120.600 120.570 0.126 0.000 3.873 336 I HA 0.114 4.283 4.170 -0.001 0.000 0.284 336 I C 0.222 176.311 176.117 -0.047 0.000 1.186 336 I CA 0.088 61.309 61.300 -0.133 0.000 1.362 336 I CB 1.147 38.618 38.000 -0.882 0.000 1.432 336 I HN -0.195 nan 8.210 nan 0.000 0.454 337 V N 4.344 124.106 119.914 -0.254 0.000 2.357 337 V HA 0.327 4.446 4.120 -0.001 0.000 0.284 337 V C -2.381 173.529 176.094 -0.306 0.000 1.018 337 V CA -1.769 60.390 62.300 -0.234 0.000 0.841 337 V CB 1.241 32.963 31.823 -0.169 0.000 0.991 337 V HN 0.015 nan 8.190 nan 0.000 0.437 338 P HA -0.024 nan 4.420 nan 0.000 0.267 338 P C 0.008 177.064 177.300 -0.407 0.000 1.205 338 P CA 0.211 62.749 63.100 -0.937 0.000 0.765 338 P CB 0.777 31.923 31.700 -0.922 0.000 0.828 339 Y N 4.275 124.330 120.300 -0.410 0.000 2.163 339 Y HA -0.224 4.325 4.550 -0.001 0.000 0.288 339 Y C 2.293 177.973 175.900 -0.366 0.000 1.136 339 Y CA 1.816 59.591 58.100 -0.543 0.000 1.147 339 Y CB -0.461 37.862 38.460 -0.227 0.000 0.987 339 Y HN 0.235 nan 8.280 nan 0.000 0.509 340 Q N 0.050 119.649 119.800 -0.335 0.000 2.084 340 Q HA -0.127 4.212 4.340 -0.001 0.000 0.202 340 Q C -0.269 175.533 176.000 -0.330 0.000 0.978 340 Q CA 1.980 57.578 55.803 -0.341 0.000 0.844 340 Q CB -1.849 26.839 28.738 -0.084 0.000 0.898 340 Q HN 0.447 nan 8.270 nan 0.000 0.426 341 P HA -0.116 nan 4.420 nan 0.000 0.216 341 P C 1.007 178.168 177.300 -0.233 0.000 1.150 341 P CA 1.953 64.932 63.100 -0.200 0.000 0.837 341 P CB -0.155 31.450 31.700 -0.158 0.000 0.786 342 A N -0.057 122.559 122.820 -0.341 0.000 1.898 342 A HA -0.049 4.270 4.320 -0.001 0.000 0.216 342 A C 2.323 179.704 177.584 -0.339 0.000 1.181 342 A CA 1.918 53.781 52.037 -0.291 0.000 0.620 342 A CB -1.553 17.258 19.000 -0.316 0.000 0.819 342 A HN 0.187 nan 8.150 nan 0.000 0.442 343 A N -0.856 121.635 122.820 -0.549 0.000 1.902 343 A HA -0.074 4.245 4.320 -0.001 0.000 0.217 343 A C 2.293 179.659 177.584 -0.363 0.000 1.181 343 A CA 2.266 54.004 52.037 -0.498 0.000 0.623 343 A CB -1.252 17.405 19.000 -0.572 0.000 0.818 343 A HN 0.425 nan 8.150 nan 0.000 0.443 344 T N -1.390 113.001 114.554 -0.271 0.000 2.708 344 T HA -0.199 4.150 4.350 -0.001 0.000 0.266 344 T C 1.789 176.376 174.700 -0.188 0.000 1.037 344 T CA 1.715 63.700 62.100 -0.190 0.000 1.146 344 T CB -0.499 68.287 68.868 -0.137 0.000 0.865 344 T HN 0.585 nan 8.240 nan 0.000 0.435 345 Y N 1.969 122.097 120.300 -0.286 0.000 2.114 345 Y HA -0.206 4.343 4.550 -0.001 0.000 0.282 345 Y C 2.290 178.000 175.900 -0.317 0.000 1.165 345 Y CA 0.992 58.925 58.100 -0.278 0.000 1.148 345 Y CB -0.719 37.583 38.460 -0.264 0.000 0.972 345 Y HN -0.016 nan 8.280 nan 0.000 0.504 346 V N 1.013 120.659 119.914 -0.446 0.000 2.343 346 V HA -0.306 3.813 4.120 -0.001 0.000 0.247 346 V C 2.473 178.262 176.094 -0.507 0.000 1.051 346 V CA 2.308 64.239 62.300 -0.616 0.000 1.036 346 V CB -0.732 30.499 31.823 -0.987 0.000 0.654 346 V HN 0.393 nan 8.190 nan 0.000 0.451 347 K N 0.105 120.261 120.400 -0.407 0.000 2.032 347 K HA -0.244 4.075 4.320 -0.001 0.000 0.209 347 K C 2.121 178.563 176.600 -0.263 0.000 1.048 347 K CA 2.024 58.144 56.287 -0.278 0.000 0.927 347 K CB -0.130 32.247 32.500 -0.204 0.000 0.712 347 K HN 0.574 nan 8.250 nan 0.000 0.441 348 E N 0.025 120.048 120.200 -0.296 0.000 2.051 348 E HA -0.191 4.158 4.350 -0.001 0.000 0.192 348 E C 2.324 178.730 176.600 -0.323 0.000 0.991 348 E CA 1.077 57.310 56.400 -0.278 0.000 0.799 348 E CB 0.068 29.603 29.700 -0.275 0.000 0.748 348 E HN 0.335 nan 8.360 nan 0.000 0.449 349 Q N 0.032 119.551 119.800 -0.468 0.000 2.084 349 Q HA -0.154 4.185 4.340 -0.001 0.000 0.202 349 Q C 2.457 178.272 176.000 -0.309 0.000 0.978 349 Q CA 1.083 56.613 55.803 -0.456 0.000 0.844 349 Q CB -0.544 27.795 28.738 -0.664 0.000 0.898 349 Q HN 0.390 nan 8.270 nan 0.000 0.426 350 c N 0.504 118.933 118.600 -0.286 0.000 2.422 350 c HA -0.042 4.527 4.570 -0.001 0.000 0.279 350 c C 2.740 176.738 174.090 -0.152 0.000 1.305 350 c CA 0.596 56.806 56.329 -0.197 0.000 1.757 350 c CB -1.117 41.285 42.510 -0.179 0.000 1.962 350 c HN 0.556 nan 8.230 nan 0.000 0.499 351 A N -0.058 122.667 122.820 -0.159 0.000 2.119 351 A HA -0.092 4.228 4.320 -0.001 0.000 0.217 351 A C 1.877 179.392 177.584 -0.115 0.000 1.153 351 A CA 1.166 53.129 52.037 -0.123 0.000 0.692 351 A CB -0.276 18.651 19.000 -0.121 0.000 0.799 351 A HN 0.720 nan 8.150 nan 0.000 0.458 352 K N -1.371 118.946 120.400 -0.139 0.000 2.440 352 K HA 0.318 4.637 4.320 -0.001 0.000 0.206 352 K C 0.660 177.191 176.600 -0.114 0.000 1.025 352 K CA 0.385 56.598 56.287 -0.123 0.000 1.135 352 K CB 0.364 32.780 32.500 -0.139 0.000 0.856 352 K HN 0.536 nan 8.250 nan 0.000 0.502 353 G N 1.159 109.891 108.800 -0.112 0.000 2.134 353 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.209 353 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.209 353 G C 0.227 175.063 174.900 -0.108 0.000 0.993 353 G CA -0.074 44.970 45.100 -0.093 0.000 0.669 353 G HN 0.424 nan 8.290 nan 0.000 0.519 354 A N -0.264 122.468 122.820 -0.147 0.000 2.386 354 A HA 0.621 4.940 4.320 -0.001 0.000 0.246 354 A C 0.589 178.103 177.584 -0.115 0.000 1.089 354 A CA 0.527 52.463 52.037 -0.168 0.000 0.790 354 A CB 0.407 19.266 19.000 -0.235 0.000 1.042 354 A HN 0.860 nan 8.150 nan 0.000 0.497 355 N N 0.435 119.076 118.700 -0.098 0.000 2.776 355 N HA 0.415 5.154 4.740 -0.001 0.000 0.245 355 N C -1.498 174.015 175.510 0.005 0.000 1.121 355 N CA -0.149 52.888 53.050 -0.021 0.000 0.852 355 N CB -0.124 38.379 38.487 0.026 0.000 1.142 355 N HN 0.476 nan 8.380 nan 0.000 0.514 356 I N 1.464 122.021 120.570 -0.022 0.000 2.389 356 I HA 0.276 4.445 4.170 -0.001 0.000 0.288 356 I C -0.006 176.136 176.117 0.041 0.000 0.999 356 I CA -0.977 60.307 61.300 -0.026 0.000 1.129 356 I CB 1.462 39.387 38.000 -0.126 0.000 1.288 356 I HN 0.272 nan 8.210 nan 0.000 0.444 357 N N 6.539 125.287 118.700 0.080 0.000 2.437 357 N HA 0.171 4.910 4.740 -0.001 0.000 0.243 357 N C -1.292 174.285 175.510 0.112 0.000 1.041 357 N CA -0.151 52.997 53.050 0.163 0.000 0.940 357 N CB 0.469 39.134 38.487 0.297 0.000 1.133 357 N HN 0.286 nan 8.380 nan 0.000 0.506 358 F N 2.855 122.760 119.950 -0.075 0.000 2.410 358 F HA 0.366 4.892 4.527 -0.001 0.000 0.349 358 F C 0.300 176.028 175.800 -0.119 0.000 1.117 358 F CA -1.176 56.741 58.000 -0.138 0.000 1.104 358 F CB 1.049 40.001 39.000 -0.081 0.000 1.122 358 F HN 0.335 nan 8.300 nan 0.000 0.483 359 S N 8.144 123.564 115.700 -0.466 0.000 2.130 359 S HA 0.491 4.961 4.470 -0.001 0.000 0.165 359 S C -2.991 171.188 174.600 -0.702 0.000 1.677 359 S CA -1.494 56.396 58.200 -0.516 0.000 1.227 359 S CB -0.047 62.980 63.200 -0.288 0.000 1.115 359 S HN 0.342 nan 8.310 nan 0.000 0.452 360 P HA 0.302 nan 4.420 nan 0.000 0.287 360 P C -1.320 175.707 177.300 -0.454 0.000 1.281 360 P CA -0.388 62.385 63.100 -0.545 0.000 0.781 360 P CB 0.151 31.534 31.700 -0.528 0.000 0.903 361 Y N 5.142 125.418 120.300 -0.040 0.000 2.425 361 Y HA 0.207 4.756 4.550 -0.001 0.000 0.347 361 Y C -0.966 174.904 175.900 -0.049 0.000 0.976 361 Y CA -1.953 56.151 58.100 0.006 0.000 1.190 361 Y CB 0.658 39.220 38.460 0.170 0.000 1.136 361 Y HN 0.403 nan 8.280 nan 0.000 0.517 362 P HA -0.091 nan 4.420 nan 0.000 0.219 362 P C 0.027 177.357 177.300 0.048 0.000 1.150 362 P CA 1.425 64.521 63.100 -0.007 0.000 0.814 362 P CB 0.817 32.504 31.700 -0.021 0.000 0.787 363 I N -0.303 120.328 120.570 0.100 0.000 2.502 363 I HA 0.597 4.766 4.170 -0.001 0.000 0.276 363 I C -0.109 176.130 176.117 0.203 0.000 1.057 363 I CA -0.616 60.751 61.300 0.111 0.000 1.163 363 I CB 1.135 39.176 38.000 0.068 0.000 1.288 363 I HN -0.067 nan 8.210 nan 0.000 0.479 364 A N 4.840 127.788 122.820 0.212 0.000 2.544 364 A HA 0.784 5.103 4.320 -0.001 0.000 0.291 364 A C -1.435 176.240 177.584 0.152 0.000 1.055 364 A CA -0.695 51.497 52.037 0.259 0.000 0.651 364 A CB 1.616 20.836 19.000 0.367 0.000 1.296 364 A HN 0.531 nan 8.150 nan 0.000 0.431 365 E N -1.370 118.879 120.200 0.081 0.000 2.431 365 E HA 0.414 4.763 4.350 -0.001 0.000 0.268 365 E C 0.230 176.858 176.600 0.047 0.000 0.953 365 E CA -0.822 55.624 56.400 0.076 0.000 0.810 365 E CB 1.415 31.146 29.700 0.052 0.000 1.369 365 E HN 0.806 nan 8.360 nan 0.000 0.440 366 H N 0.366 119.403 119.070 -0.054 0.000 2.319 366 H HA -0.121 4.434 4.556 -0.001 0.000 0.297 366 H C 1.534 176.796 175.328 -0.110 0.000 1.097 366 H CA 1.938 57.928 56.048 -0.097 0.000 1.285 366 H CB 0.199 29.799 29.762 -0.269 0.000 1.368 366 H HN 0.223 nan 8.280 nan 0.000 0.495 367 L N 0.099 121.220 121.223 -0.170 0.000 2.270 367 L HA -0.041 4.298 4.340 -0.001 0.000 0.210 367 L C 2.484 179.226 176.870 -0.213 0.000 1.104 367 L CA 1.727 56.430 54.840 -0.229 0.000 0.804 367 L CB -1.422 40.475 42.059 -0.270 0.000 0.937 367 L HN 0.564 nan 8.230 nan 0.000 0.450 368 T N -2.891 111.479 114.554 -0.307 0.000 2.896 368 T HA -0.005 4.344 4.350 -0.001 0.000 0.263 368 T C 1.942 175.997 174.700 -1.075 0.000 1.050 368 T CA 0.853 62.562 62.100 -0.652 0.000 1.140 368 T CB -0.220 68.292 68.868 -0.594 0.000 0.877 368 T HN 0.173 nan 8.240 nan 0.000 0.457 369 A N 1.514 123.999 122.820 -0.557 0.000 2.067 369 A HA 0.021 4.340 4.320 -0.001 0.000 0.219 369 A C 2.253 179.780 177.584 -0.094 0.000 1.158 369 A CA 1.491 53.380 52.037 -0.247 0.000 0.661 369 A CB -0.764 18.338 19.000 0.170 0.000 0.801 369 A HN 0.670 nan 8.150 nan 0.000 0.452 370 E N -0.133 119.803 120.200 -0.440 0.000 2.118 370 E HA -0.188 4.161 4.350 -0.001 0.000 0.195 370 E C 1.630 178.055 176.600 -0.291 0.000 0.992 370 E CA 1.523 57.480 56.400 -0.738 0.000 0.804 370 E CB -0.074 29.173 29.700 -0.755 0.000 0.741 370 E HN 0.556 nan 8.360 nan 0.000 0.458 371 I N 0.073 120.460 120.570 -0.306 0.000 2.400 371 I HA -0.133 4.036 4.170 -0.001 0.000 0.248 371 I C 1.973 178.001 176.117 -0.147 0.000 1.109 371 I CA 0.695 61.849 61.300 -0.243 0.000 1.425 371 I CB -1.287 36.568 38.000 -0.241 0.000 1.094 371 I HN 0.116 nan 8.210 nan 0.000 0.425 372 F N 1.948 121.742 119.950 -0.260 0.000 2.120 372 F HA -0.125 4.401 4.527 -0.001 0.000 0.300 372 F C 2.604 178.202 175.800 -0.336 0.000 1.095 372 F CA 1.259 59.028 58.000 -0.386 0.000 1.249 372 F CB -1.776 36.721 39.000 -0.838 0.000 0.995 372 F HN 0.107 nan 8.300 nan 0.000 0.480 373 G N -1.009 107.645 108.800 -0.244 0.000 2.880 373 G HA2 0.018 3.977 3.960 -0.001 0.000 0.209 373 G HA3 0.018 3.977 3.960 -0.001 0.000 0.209 373 G C 1.726 176.140 174.900 -0.811 0.000 1.157 373 G CA 0.085 44.710 45.100 -0.792 0.000 0.779 373 G HN 0.367 nan 8.290 nan 0.000 0.539 374 L N 0.223 121.209 121.223 -0.395 0.000 2.005 374 L HA -0.050 4.289 4.340 -0.001 0.000 0.207 374 L C 2.847 179.561 176.870 -0.259 0.000 1.072 374 L CA 1.153 55.840 54.840 -0.254 0.000 0.744 374 L CB -0.191 41.781 42.059 -0.145 0.000 0.895 374 L HN 0.087 nan 8.230 nan 0.000 0.433 375 V N 0.423 120.202 119.914 -0.226 0.000 2.261 375 V HA -0.180 3.940 4.120 -0.001 0.000 0.246 375 V C -0.224 175.756 176.094 -0.191 0.000 1.047 375 V CA 2.197 64.370 62.300 -0.212 0.000 1.015 375 V CB -1.799 29.924 31.823 -0.166 0.000 0.642 375 V HN 0.390 nan 8.190 nan 0.000 0.446 376 P HA -0.157 nan 4.420 nan 0.000 0.216 376 P C 2.094 179.104 177.300 -0.484 0.000 1.150 376 P CA 2.021 64.936 63.100 -0.308 0.000 0.837 376 P CB -0.110 31.381 31.700 -0.348 0.000 0.786 377 S N -1.024 114.412 115.700 -0.439 0.000 2.359 377 S HA -0.125 4.344 4.470 -0.001 0.000 0.224 377 S C 1.778 176.384 174.600 0.010 0.000 1.035 377 S CA 1.165 59.262 58.200 -0.171 0.000 1.018 377 S CB -0.934 62.205 63.200 -0.102 0.000 0.876 377 S HN -0.009 nan 8.310 nan 0.000 0.448 378 L N -0.158 120.975 121.223 -0.148 0.000 2.131 378 L HA 0.021 4.360 4.340 -0.001 0.000 0.206 378 L C 2.428 179.211 176.870 -0.146 0.000 1.087 378 L CA 0.944 55.561 54.840 -0.372 0.000 0.767 378 L CB -0.632 40.784 42.059 -1.072 0.000 0.917 378 L HN 0.574 nan 8.230 nan 0.000 0.441 379 W N 0.875 122.050 121.300 -0.208 0.000 2.363 379 W HA -0.308 4.351 4.660 -0.001 0.000 0.296 379 W C 2.400 178.946 176.519 0.044 0.000 1.212 379 W CA 1.315 58.637 57.345 -0.038 0.000 1.260 379 W CB -0.233 29.178 29.460 -0.083 0.000 1.131 379 W HN 0.140 nan 8.180 nan 0.000 0.530 380 F N 1.360 121.206 119.950 -0.174 0.000 2.134 380 F HA -0.212 4.314 4.527 -0.001 0.000 0.299 380 F C 2.181 177.911 175.800 -0.116 0.000 1.097 380 F CA 2.291 60.157 58.000 -0.223 0.000 1.264 380 F CB -0.791 38.068 39.000 -0.235 0.000 1.001 380 F HN -0.263 nan 8.300 nan 0.000 0.479 381 I N 0.149 120.788 120.570 0.115 0.000 2.315 381 I HA -0.271 3.898 4.170 -0.001 0.000 0.248 381 I C 2.360 178.556 176.117 0.131 0.000 1.117 381 I CA 1.382 62.752 61.300 0.116 0.000 1.404 381 I CB -0.451 37.830 38.000 0.468 0.000 1.071 381 I HN 0.073 nan 8.210 nan 0.000 0.419 382 K N 1.088 121.669 120.400 0.301 0.000 2.032 382 K HA -0.237 4.082 4.320 -0.001 0.000 0.209 382 K C 2.106 178.651 176.600 -0.091 0.000 1.048 382 K CA 1.711 58.169 56.287 0.284 0.000 0.927 382 K CB -0.129 32.533 32.500 0.270 0.000 0.712 382 K HN 0.307 nan 8.250 nan 0.000 0.441 383 Q N -0.707 118.833 119.800 -0.433 0.000 2.119 383 Q HA -0.078 4.261 4.340 -0.001 0.000 0.201 383 Q C 2.122 177.892 176.000 -0.385 0.000 0.972 383 Q CA 1.332 56.843 55.803 -0.486 0.000 0.847 383 Q CB -0.176 28.178 28.738 -0.641 0.000 0.903 383 Q HN 0.460 nan 8.270 nan 0.000 0.433 384 A N 0.406 122.919 122.820 -0.511 0.000 1.902 384 A HA -0.175 4.144 4.320 -0.001 0.000 0.217 384 A C 1.714 179.112 177.584 -0.310 0.000 1.181 384 A CA 1.214 52.954 52.037 -0.494 0.000 0.623 384 A CB -0.671 17.950 19.000 -0.630 0.000 0.818 384 A HN 0.289 nan 8.150 nan 0.000 0.443 385 F N 0.642 120.501 119.950 -0.151 0.000 2.186 385 F HA -0.087 4.439 4.527 -0.001 0.000 0.299 385 F C 1.685 177.440 175.800 -0.075 0.000 1.090 385 F CA 1.461 59.396 58.000 -0.108 0.000 1.307 385 F CB -0.312 38.619 39.000 -0.116 0.000 1.019 385 F HN 0.219 nan 8.300 nan 0.000 0.489 386 D N -0.774 119.680 120.400 0.089 0.000 2.347 386 D HA 0.099 4.738 4.640 -0.001 0.000 0.213 386 D C 1.982 178.270 176.300 -0.019 0.000 0.985 386 D CA 1.075 55.090 54.000 0.025 0.000 0.879 386 D CB -0.339 40.449 40.800 -0.020 0.000 0.919 386 D HN 0.300 nan 8.370 nan 0.000 0.526 387 G N 1.119 109.885 108.800 -0.057 0.000 2.176 387 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.252 387 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.252 387 G C 0.765 175.621 174.900 -0.074 0.000 1.024 387 G CA 0.900 45.962 45.100 -0.063 0.000 0.755 387 G HN 0.409 nan 8.290 nan 0.000 0.507 388 T N -1.829 112.654 114.554 -0.118 0.000 3.266 388 T HA 0.475 4.824 4.350 -0.001 0.000 0.278 388 T C 0.875 175.496 174.700 -0.131 0.000 1.010 388 T CA 0.730 62.770 62.100 -0.100 0.000 0.909 388 T CB 0.209 69.023 68.868 -0.089 0.000 1.122 388 T HN 1.207 nan 8.240 nan 0.000 0.536 389 T N 2.359 116.811 114.554 -0.169 0.000 2.928 389 T HA 0.345 4.694 4.350 -0.001 0.000 0.305 389 T C -2.127 172.568 174.700 -0.008 0.000 1.035 389 T CA -1.150 60.859 62.100 -0.150 0.000 1.145 389 T CB 0.120 68.867 68.868 -0.202 0.000 0.963 389 T HN 0.185 nan 8.240 nan 0.000 0.545 390 P HA 0.196 nan 4.420 nan 0.000 0.271 390 P C -0.385 176.972 177.300 0.096 0.000 1.216 390 P CA -0.529 62.622 63.100 0.086 0.000 0.776 390 P CB 0.558 32.331 31.700 0.123 0.000 0.881 391 K N 1.955 122.398 120.400 0.073 0.000 2.349 391 K HA 0.286 4.606 4.320 -0.001 0.000 0.288 391 K C 0.187 176.831 176.600 0.073 0.000 1.058 391 K CA -0.208 56.119 56.287 0.067 0.000 0.953 391 K CB 0.501 33.030 32.500 0.047 0.000 0.997 391 K HN 0.382 nan 8.250 nan 0.000 0.477 392 V N 0.349 120.311 119.914 0.080 0.000 3.040 392 V HA 0.495 4.614 4.120 -0.001 0.000 0.312 392 V C 0.006 176.133 176.094 0.056 0.000 1.115 392 V CA -1.309 61.037 62.300 0.077 0.000 0.998 392 V CB 1.885 33.771 31.823 0.106 0.000 1.042 392 V HN 0.355 nan 8.190 nan 0.000 0.433 393 I N 2.018 122.617 120.570 0.047 0.000 2.517 393 I HA 0.129 4.298 4.170 -0.001 0.000 0.285 393 I C 0.922 177.057 176.117 0.030 0.000 1.106 393 I CA 0.197 61.515 61.300 0.030 0.000 1.402 393 I CB 0.481 38.497 38.000 0.025 0.000 1.399 393 I HN 0.946 nan 8.210 nan 0.000 0.535 394 c N 6.744 125.349 118.600 0.008 0.000 2.590 394 c HA 0.307 4.876 4.570 -0.001 0.000 0.411 394 c C 1.641 175.719 174.090 -0.020 0.000 1.420 394 c CA 1.236 57.556 56.329 -0.014 0.000 1.643 394 c CB -1.278 41.199 42.510 -0.054 0.000 2.528 394 c HN 1.119 nan 8.230 nan 0.000 0.606 395 G N 4.384 113.183 108.800 -0.003 0.000 2.176 395 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.253 395 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.253 395 G C 0.376 175.361 174.900 0.142 0.000 0.979 395 G CA 0.600 45.697 45.100 -0.004 0.000 0.641 395 G HN 1.288 nan 8.290 nan 0.000 0.530 396 T N 3.249 117.874 114.554 0.119 0.000 2.817 396 T HA 0.468 4.817 4.350 -0.001 0.000 0.295 396 T C -1.805 172.981 174.700 0.144 0.000 0.958 396 T CA -0.465 61.705 62.100 0.115 0.000 1.157 396 T CB 0.809 69.718 68.868 0.068 0.000 0.898 396 T HN 0.173 nan 8.240 nan 0.000 0.536 397 P HA 0.298 nan 4.420 nan 0.000 0.271 397 P C -0.862 176.396 177.300 -0.069 0.000 1.380 397 P CA 0.035 63.140 63.100 0.007 0.000 0.992 397 P CB -0.357 31.363 31.700 0.034 0.000 1.230 398 I N 6.120 126.630 120.570 -0.099 0.000 2.410 398 I HA 0.286 4.456 4.170 -0.001 0.000 0.286 398 I C -2.327 173.690 176.117 -0.165 0.000 1.009 398 I CA -3.027 58.223 61.300 -0.083 0.000 1.111 398 I CB 2.360 40.359 38.000 -0.002 0.000 1.262 398 I HN -0.019 nan 8.210 nan 0.000 0.443 399 P HA 0.094 nan 4.420 nan 0.000 0.264 399 P C -0.442 176.787 177.300 -0.118 0.000 1.229 399 P CA -0.141 62.764 63.100 -0.324 0.000 0.780 399 P CB 0.579 32.173 31.700 -0.177 0.000 0.808 400 A N 5.165 127.941 122.820 -0.074 0.000 2.404 400 A HA 0.436 4.755 4.320 -0.001 0.000 0.273 400 A C -0.024 177.666 177.584 0.176 0.000 1.144 400 A CA -0.175 51.934 52.037 0.119 0.000 0.806 400 A CB -0.499 18.662 19.000 0.267 0.000 1.080 400 A HN 0.506 nan 8.150 nan 0.000 0.509 401 I N 2.306 122.917 120.570 0.068 0.000 2.466 401 I HA 0.419 4.588 4.170 -0.001 0.000 0.289 401 I C 0.670 176.762 176.117 -0.042 0.000 1.026 401 I CA -0.500 60.811 61.300 0.017 0.000 1.078 401 I CB 1.991 39.981 38.000 -0.017 0.000 1.249 401 I HN 0.716 nan 8.210 nan 0.000 0.429 402 A N 4.337 127.117 122.820 -0.067 0.000 2.548 402 A HA 0.468 4.787 4.320 -0.001 0.000 0.247 402 A C 1.275 178.794 177.584 -0.108 0.000 1.067 402 A CA 0.940 52.912 52.037 -0.108 0.000 0.757 402 A CB -0.367 18.568 19.000 -0.108 0.000 0.996 402 A HN 1.310 nan 8.150 nan 0.000 0.504 403 G N 1.367 110.085 108.800 -0.136 0.000 2.241 403 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.244 403 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.244 403 G C 0.671 175.514 174.900 -0.095 0.000 0.998 403 G CA 0.512 45.541 45.100 -0.118 0.000 0.621 403 G HN 0.608 nan 8.290 nan 0.000 0.519 404 I N 1.005 121.526 120.570 -0.080 0.000 3.341 404 I HA 0.137 4.306 4.170 -0.001 0.000 0.243 404 I C 2.785 178.875 176.117 -0.045 0.000 1.094 404 I CA 2.361 63.628 61.300 -0.055 0.000 1.507 404 I CB -1.482 36.494 38.000 -0.041 0.000 1.441 404 I HN 0.378 nan 8.210 nan 0.000 0.465 405 T N -1.573 112.960 114.554 -0.034 0.000 3.081 405 T HA 0.096 4.445 4.350 -0.001 0.000 0.250 405 T C 0.811 175.502 174.700 -0.015 0.000 1.100 405 T CA 0.446 62.545 62.100 -0.002 0.000 1.038 405 T CB -0.497 68.388 68.868 0.029 0.000 0.962 405 T HN 0.431 nan 8.240 nan 0.000 0.516 406 T N -1.219 113.268 114.554 -0.111 0.000 2.865 406 T HA 0.691 5.040 4.350 -0.001 0.000 0.294 406 T C -3.320 171.138 174.700 -0.403 0.000 1.119 406 T CA -2.140 59.783 62.100 -0.296 0.000 1.007 406 T CB 1.703 70.388 68.868 -0.305 0.000 1.225 406 T HN -0.190 nan 8.240 nan 0.000 0.515 407 P HA 0.212 nan 4.420 nan 0.000 0.271 407 P C 0.174 177.256 177.300 -0.363 0.000 1.244 407 P CA -0.369 62.418 63.100 -0.521 0.000 0.793 407 P CB 0.198 31.453 31.700 -0.742 0.000 0.984 408 S N -0.005 115.548 115.700 -0.245 0.000 2.580 408 S HA 0.170 4.639 4.470 -0.001 0.000 0.266 408 S C 1.469 175.971 174.600 -0.163 0.000 1.354 408 S CA 0.129 58.227 58.200 -0.170 0.000 1.008 408 S CB -0.043 63.084 63.200 -0.121 0.000 0.898 408 S HN 0.513 nan 8.310 nan 0.000 0.555 409 A N 1.339 124.086 122.820 -0.122 0.000 1.908 409 A HA -0.138 4.182 4.320 -0.001 0.000 0.218 409 A C 1.883 179.423 177.584 -0.074 0.000 1.181 409 A CA 1.815 53.790 52.037 -0.103 0.000 0.627 409 A CB -1.093 17.856 19.000 -0.084 0.000 0.818 409 A HN 0.918 nan 8.150 nan 0.000 0.445 410 D N -0.622 119.740 120.400 -0.064 0.000 2.144 410 D HA -0.150 4.489 4.640 -0.001 0.000 0.199 410 D C 2.136 178.417 176.300 -0.033 0.000 0.984 410 D CA 1.503 55.479 54.000 -0.041 0.000 0.834 410 D CB -0.309 40.467 40.800 -0.041 0.000 0.955 410 D HN 0.651 nan 8.370 nan 0.000 0.465 411 Q N 0.016 119.776 119.800 -0.067 0.000 2.172 411 Q HA -0.043 4.296 4.340 -0.001 0.000 0.200 411 Q C 2.338 178.322 176.000 -0.026 0.000 0.964 411 Q CA 0.554 56.315 55.803 -0.070 0.000 0.855 411 Q CB 0.376 29.029 28.738 -0.141 0.000 0.918 411 Q HN 0.121 nan 8.270 nan 0.000 0.444 412 V N 0.306 120.193 119.914 -0.045 0.000 2.379 412 V HA -0.151 3.968 4.120 -0.001 0.000 0.243 412 V C 1.878 178.125 176.094 0.255 0.000 1.035 412 V CA 1.357 63.713 62.300 0.092 0.000 1.035 412 V CB -0.168 31.635 31.823 -0.033 0.000 0.673 412 V HN 0.304 nan 8.190 nan 0.000 0.457 413 L N -0.407 120.888 121.223 0.121 0.000 2.354 413 L HA 0.482 4.821 4.340 -0.001 0.000 0.212 413 L C 1.099 178.085 176.870 0.192 0.000 1.091 413 L CA 0.754 55.714 54.840 0.200 0.000 0.828 413 L CB -0.330 41.745 42.059 0.026 0.000 0.973 413 L HN 0.532 nan 8.230 nan 0.000 0.461 414 G N -0.634 108.222 108.800 0.094 0.000 2.692 414 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.686 414 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.686 414 G C 0.347 175.256 174.900 0.015 0.000 1.243 414 G CA -0.250 44.875 45.100 0.043 0.000 0.782 414 G HN -0.026 nan 8.290 nan 0.000 0.625 415 S N -0.136 115.563 115.700 -0.002 0.000 2.382 415 S HA -0.134 4.336 4.470 -0.001 0.000 0.228 415 S C 1.929 176.521 174.600 -0.012 0.000 1.027 415 S CA 1.795 59.988 58.200 -0.012 0.000 0.991 415 S CB -0.224 62.967 63.200 -0.015 0.000 0.823 415 S HN 0.809 nan 8.310 nan 0.000 0.469 416 D N 1.524 121.918 120.400 -0.011 0.000 2.084 416 D HA -0.057 4.582 4.640 -0.001 0.000 0.194 416 D C 1.824 178.116 176.300 -0.014 0.000 0.990 416 D CA 1.100 55.091 54.000 -0.015 0.000 0.826 416 D CB -0.302 40.486 40.800 -0.020 0.000 0.971 416 D HN 0.305 nan 8.370 nan 0.000 0.453 417 L N 0.145 121.367 121.223 -0.002 0.000 2.156 417 L HA -0.025 4.314 4.340 -0.001 0.000 0.208 417 L C 2.610 179.468 176.870 -0.020 0.000 1.095 417 L CA 0.869 55.708 54.840 -0.001 0.000 0.770 417 L CB -0.309 41.775 42.059 0.043 0.000 0.914 417 L HN 0.010 nan 8.230 nan 0.000 0.439 418 A N 0.235 123.044 122.820 -0.018 0.000 1.898 418 A HA -0.193 4.127 4.320 -0.001 0.000 0.216 418 A C 2.033 179.595 177.584 -0.037 0.000 1.181 418 A CA 1.690 53.706 52.037 -0.036 0.000 0.620 418 A CB -0.474 18.506 19.000 -0.033 0.000 0.819 418 A HN 0.393 nan 8.150 nan 0.000 0.442 419 N N -0.031 118.652 118.700 -0.028 0.000 2.166 419 N HA -0.150 4.589 4.740 -0.001 0.000 0.186 419 N C 1.858 177.351 175.510 -0.028 0.000 1.019 419 N CA 1.459 54.494 53.050 -0.025 0.000 0.856 419 N CB -0.428 38.048 38.487 -0.019 0.000 0.993 419 N HN 0.662 nan 8.380 nan 0.000 0.426 420 Q N -0.165 119.616 119.800 -0.032 0.000 2.119 420 Q HA -0.071 4.268 4.340 -0.001 0.000 0.201 420 Q C 1.859 177.824 176.000 -0.059 0.000 0.972 420 Q CA 0.733 56.513 55.803 -0.039 0.000 0.847 420 Q CB -0.081 28.634 28.738 -0.039 0.000 0.903 420 Q HN 0.207 nan 8.270 nan 0.000 0.433 421 L N 0.635 121.816 121.223 -0.070 0.000 2.109 421 L HA -0.101 4.238 4.340 -0.001 0.000 0.207 421 L C 2.036 178.857 176.870 -0.082 0.000 1.086 421 L CA 1.569 56.349 54.840 -0.101 0.000 0.760 421 L CB -0.129 41.867 42.059 -0.105 0.000 0.910 421 L HN -0.013 nan 8.230 nan 0.000 0.437 422 R N -0.878 119.591 120.500 -0.052 0.000 2.148 422 R HA -0.079 4.260 4.340 -0.001 0.000 0.227 422 R C 2.318 178.607 176.300 -0.017 0.000 1.103 422 R CA 1.222 57.304 56.100 -0.030 0.000 0.983 422 R CB -0.332 29.955 30.300 -0.022 0.000 0.874 422 R HN 0.614 nan 8.270 nan 0.000 0.451 423 S N 0.374 116.061 115.700 -0.021 0.000 2.481 423 S HA -0.001 4.469 4.470 -0.001 0.000 0.231 423 S C 1.868 176.473 174.600 0.009 0.000 0.996 423 S CA 0.503 58.700 58.200 -0.004 0.000 0.942 423 S CB -0.136 63.062 63.200 -0.005 0.000 0.768 423 S HN 0.241 nan 8.310 nan 0.000 0.520 424 L N 1.116 122.327 121.223 -0.020 0.000 2.376 424 L HA 0.106 4.445 4.340 -0.001 0.000 0.219 424 L C 1.020 177.951 176.870 0.102 0.000 1.133 424 L CA 0.105 54.944 54.840 -0.001 0.000 0.816 424 L CB -0.837 41.086 42.059 -0.226 0.000 0.933 424 L HN 0.306 nan 8.230 nan 0.000 0.449 425 N N 1.080 119.815 118.700 0.060 0.000 2.414 425 N HA 0.036 4.776 4.740 -0.001 0.000 0.268 425 N C 1.059 176.624 175.510 0.092 0.000 1.286 425 N CA 1.262 54.360 53.050 0.081 0.000 0.896 425 N CB 0.665 39.180 38.487 0.047 0.000 1.093 425 N HN 0.335 nan 8.380 nan 0.000 0.480 426 G N 2.667 111.531 108.800 0.107 0.000 2.199 426 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.254 426 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.254 426 G C 0.035 174.987 174.900 0.087 0.000 0.982 426 G CA 0.165 45.312 45.100 0.078 0.000 0.632 426 G HN 0.614 nan 8.290 nan 0.000 0.529 427 K N 0.947 121.434 120.400 0.146 0.000 2.298 427 K HA 0.312 4.632 4.320 -0.001 0.000 0.280 427 K C 0.618 177.287 176.600 0.116 0.000 1.032 427 K CA -0.391 55.989 56.287 0.155 0.000 0.958 427 K CB 0.951 33.577 32.500 0.210 0.000 0.978 427 K HN 0.406 nan 8.250 nan 0.000 0.472 428 Q N 2.038 121.871 119.800 0.055 0.000 2.337 428 Q HA 0.004 4.343 4.340 -0.001 0.000 0.270 428 Q C -0.126 175.847 176.000 -0.044 0.000 1.002 428 Q CA -0.058 55.734 55.803 -0.018 0.000 0.888 428 Q CB 0.792 29.536 28.738 0.010 0.000 1.222 428 Q HN 0.742 nan 8.270 nan 0.000 0.400 429 S N 2.353 117.923 115.700 -0.216 0.000 2.690 429 S HA 0.504 4.973 4.470 -0.001 0.000 0.285 429 S C 0.905 175.521 174.600 0.027 0.000 1.135 429 S CA -0.206 57.873 58.200 -0.201 0.000 1.020 429 S CB 1.010 63.839 63.200 -0.619 0.000 1.159 429 S HN 0.733 nan 8.310 nan 0.000 0.534 430 A N -0.248 122.627 122.820 0.092 0.000 2.070 430 A HA 0.136 4.455 4.320 -0.001 0.000 0.220 430 A C 1.433 178.938 177.584 -0.131 0.000 1.159 430 A CA 0.986 53.002 52.037 -0.035 0.000 0.656 430 A CB -1.069 17.885 19.000 -0.075 0.000 0.800 430 A HN 0.741 nan 8.150 nan 0.000 0.453 431 F N -1.133 118.866 119.950 0.081 0.000 2.765 431 F HA 0.336 4.863 4.527 -0.001 0.000 0.302 431 F C 1.949 177.867 175.800 0.197 0.000 1.111 431 F CA 0.667 58.792 58.000 0.209 0.000 1.359 431 F CB 0.143 39.229 39.000 0.143 0.000 1.097 431 F HN 0.356 nan 8.300 nan 0.000 0.577 432 G N -0.062 108.854 108.800 0.194 0.000 2.205 432 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.261 432 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.261 432 G C 0.477 175.425 174.900 0.081 0.000 0.980 432 G CA -0.246 44.914 45.100 0.100 0.000 0.632 432 G HN 0.217 nan 8.290 nan 0.000 0.533 433 K N 1.606 122.071 120.400 0.109 0.000 2.143 433 K HA 0.451 4.770 4.320 -0.001 0.000 0.272 433 K C -2.435 174.085 176.600 -0.134 0.000 1.001 433 K CA -1.670 54.633 56.287 0.025 0.000 0.915 433 K CB 2.165 34.702 32.500 0.061 0.000 1.047 433 K HN 0.166 nan 8.250 nan 0.000 0.458 434 P HA 0.175 nan 4.420 nan 0.000 0.278 434 P C -0.540 176.639 177.300 -0.203 0.000 1.238 434 P CA -0.357 62.653 63.100 -0.150 0.000 0.794 434 P CB 0.402 32.084 31.700 -0.031 0.000 0.955 435 F N 0.636 120.577 119.950 -0.016 0.000 2.440 435 F HA 0.459 4.985 4.527 -0.001 0.000 0.323 435 F C 1.761 177.509 175.800 -0.086 0.000 1.192 435 F CA 0.922 58.876 58.000 -0.078 0.000 1.252 435 F CB -0.121 38.842 39.000 -0.062 0.000 1.214 435 F HN 0.371 nan 8.300 nan 0.000 0.578 436 G N -0.050 108.788 108.800 0.063 0.000 3.119 436 G HA2 0.655 4.614 3.960 -0.001 0.000 0.206 436 G HA3 0.655 4.614 3.960 -0.001 0.000 0.206 436 G C -2.852 172.069 174.900 0.035 0.000 1.313 436 G CA -1.290 43.818 45.100 0.013 0.000 1.010 436 G HN 0.376 nan 8.290 nan 0.000 0.578 437 P HA 0.332 nan 4.420 nan 0.000 0.279 437 P C 0.800 178.205 177.300 0.176 0.000 1.276 437 P CA -0.545 62.626 63.100 0.117 0.000 0.801 437 P CB 1.622 33.397 31.700 0.124 0.000 1.127 438 I N -0.931 119.700 120.570 0.102 0.000 2.315 438 I HA -0.092 4.077 4.170 -0.001 0.000 0.248 438 I C 1.263 177.464 176.117 0.141 0.000 1.117 438 I CA 1.538 62.889 61.300 0.085 0.000 1.404 438 I CB -0.535 37.463 38.000 -0.004 0.000 1.071 438 I HN 0.449 nan 8.210 nan 0.000 0.419 439 T N -1.835 112.746 114.554 0.045 0.000 2.885 439 T HA 0.513 4.863 4.350 -0.001 0.000 0.285 439 T C -2.439 172.043 174.700 -0.362 0.000 1.019 439 T CA -1.994 60.001 62.100 -0.174 0.000 1.010 439 T CB 1.851 70.639 68.868 -0.133 0.000 1.022 439 T HN -0.240 nan 8.240 nan 0.000 0.466 440 P HA 0.000 nan 4.420 nan 0.000 0.216 440 P CA 0.000 62.615 63.100 -0.808 0.000 0.800 440 P CB 0.000 31.203 31.700 -0.828 0.000 0.726