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 2rjt_1_B DATA FIRST_RESID 2 DATA SEQUENCE KLNRVVVTGY GVTSPIGNTP AEFWNSLATG KIGIGGITKF DHSDFDVHNA DATA SEQUENCE AEIQDFPFDK YFVKKDTNRF DNYSLYALYA AQEAVNHANL DVAALNRDRF DATA SEQUENCE GVIVASGIGG IKEIEDQVLR LHEKGPKRVK PMTLPKALPN MASGNVAMRF DATA SEQUENCE GANGVCKSIN TACSSSNDAI GDAFRSIKFG FQDVMLVGGT EASITPFAIA DATA SEQUENCE GFQALTALST TEDPTRASIP FDKDRNGFVM GEGSGMLVLE SLEHAEKRGA DATA SEQUENCE TILAEVVGYG NTCDAYHMTS PHPEGQGAIK AIKLALEEAE ISPEQVAYVN DATA SEQUENCE AHGTSTPANE KGESGAIVAV LGKAVPVSST KSFTGHLLGA AGAVEAIVTI DATA SEQUENCE EAMRHNFVPM TAGTSEVSDY IEANVVYGQG LAKEIPYAIS NTFGFGGHNA DATA SEQUENCE VLAFKRWA 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.515 176.600 -0.141 0.000 0.988 2 K CA 0.000 56.240 56.287 -0.079 0.000 0.838 2 K CB 0.000 32.464 32.500 -0.060 0.000 1.064 3 L N 1.778 122.896 121.223 -0.175 0.000 2.331 3 L HA 0.500 4.841 4.340 0.001 0.000 0.275 3 L C 0.014 176.778 176.870 -0.177 0.000 1.022 3 L CA -1.136 53.536 54.840 -0.279 0.000 0.812 3 L CB 1.363 43.191 42.059 -0.385 0.000 1.257 3 L HN 0.374 nan 8.230 nan 0.000 0.435 4 N N 0.509 119.100 118.700 -0.181 0.000 2.466 4 N HA 0.482 5.223 4.740 0.001 0.000 0.294 4 N C -0.842 174.642 175.510 -0.043 0.000 1.129 4 N CA -0.828 52.170 53.050 -0.087 0.000 0.931 4 N CB 1.203 39.648 38.487 -0.069 0.000 1.193 4 N HN 0.420 nan 8.380 nan 0.000 0.500 5 R N 0.321 120.835 120.500 0.024 0.000 2.531 5 R HA 0.506 4.847 4.340 0.001 0.000 0.273 5 R C -0.835 175.525 176.300 0.100 0.000 1.070 5 R CA -0.577 55.578 56.100 0.092 0.000 1.112 5 R CB 0.772 31.145 30.300 0.122 0.000 1.049 5 R HN 0.237 nan 8.270 nan 0.000 0.508 6 V N 3.644 123.661 119.914 0.172 0.000 2.444 6 V HA 0.355 4.475 4.120 0.001 0.000 0.294 6 V C -0.129 176.030 176.094 0.108 0.000 1.022 6 V CA -0.720 61.681 62.300 0.168 0.000 0.850 6 V CB 1.500 33.534 31.823 0.353 0.000 0.992 6 V HN 0.592 nan 8.190 nan 0.000 0.426 7 V N 3.005 122.929 119.914 0.016 0.000 2.960 7 V HA 0.793 4.914 4.120 0.001 0.000 0.315 7 V C -0.425 175.632 176.094 -0.062 0.000 1.087 7 V CA -0.880 61.379 62.300 -0.069 0.000 0.982 7 V CB 2.139 33.798 31.823 -0.273 0.000 1.039 7 V HN 0.450 nan 8.190 nan 0.000 0.437 8 V N 2.773 122.645 119.914 -0.070 0.000 2.383 8 V HA 0.414 4.535 4.120 0.001 0.000 0.275 8 V C 1.285 177.294 176.094 -0.142 0.000 1.036 8 V CA 0.557 62.834 62.300 -0.038 0.000 0.889 8 V CB 0.892 32.747 31.823 0.054 0.000 0.985 8 V HN 1.172 nan 8.190 nan 0.000 0.459 9 T N 0.245 114.697 114.554 -0.171 0.000 3.023 9 T HA 0.521 4.872 4.350 0.001 0.000 0.253 9 T C 0.624 175.071 174.700 -0.421 0.000 1.038 9 T CA 0.375 62.315 62.100 -0.267 0.000 0.962 9 T CB 0.548 69.285 68.868 -0.218 0.000 1.018 9 T HN 1.112 nan 8.240 nan 0.000 0.521 10 G N 0.527 109.081 108.800 -0.410 0.000 2.387 10 G HA2 0.519 4.480 3.960 0.001 0.000 0.294 10 G HA3 0.519 4.480 3.960 0.001 0.000 0.294 10 G C -2.115 172.624 174.900 -0.269 0.000 1.509 10 G CA -0.969 43.685 45.100 -0.743 0.000 0.806 10 G HN 0.489 nan 8.290 nan 0.000 0.546 11 Y N -1.941 118.403 120.300 0.074 0.000 2.624 11 Y HA 0.854 5.405 4.550 0.002 0.000 0.334 11 Y C 0.091 176.054 175.900 0.106 0.000 1.155 11 Y CA -1.146 57.002 58.100 0.079 0.000 1.046 11 Y CB 1.229 39.701 38.460 0.020 0.000 1.316 11 Y HN 1.234 nan 8.280 nan 0.000 0.457 12 G N 0.129 109.044 108.800 0.192 0.000 2.612 12 G HA2 0.662 4.623 3.960 0.001 0.000 0.298 12 G HA3 0.662 4.623 3.960 0.001 0.000 0.298 12 G C -2.177 172.771 174.900 0.080 0.000 1.336 12 G CA -1.139 44.006 45.100 0.076 0.000 0.953 12 G HN 1.272 nan 8.290 nan 0.000 0.482 13 V N -0.327 119.644 119.914 0.094 0.000 3.048 13 V HA 0.857 4.978 4.120 0.001 0.000 0.303 13 V C -1.236 175.014 176.094 0.261 0.000 1.214 13 V CA -0.304 62.040 62.300 0.073 0.000 0.984 13 V CB 2.312 33.999 31.823 -0.226 0.000 1.054 13 V HN 1.108 nan 8.190 nan 0.000 0.430 14 T N 3.950 118.646 114.554 0.237 0.000 2.881 14 T HA 0.823 5.174 4.350 0.001 0.000 0.291 14 T C -0.708 174.022 174.700 0.050 0.000 0.990 14 T CA 0.417 62.639 62.100 0.204 0.000 0.976 14 T CB 0.874 69.897 68.868 0.257 0.000 0.970 14 T HN 1.766 nan 8.240 nan 0.000 0.438 15 S N 4.234 119.986 115.700 0.086 0.000 2.643 15 S HA 0.621 5.092 4.470 0.001 0.000 0.270 15 S C -2.737 171.929 174.600 0.110 0.000 1.166 15 S CA -1.128 57.134 58.200 0.104 0.000 0.815 15 S CB 1.316 64.683 63.200 0.278 0.000 1.139 15 S HN 0.370 nan 8.310 nan 0.000 0.472 16 P HA 0.181 nan 4.420 nan 0.000 0.234 16 P C 0.922 178.283 177.300 0.102 0.000 1.167 16 P CA 0.577 63.731 63.100 0.090 0.000 0.763 16 P CB -0.305 31.447 31.700 0.086 0.000 0.835 17 I N -6.417 114.235 120.570 0.138 0.000 4.081 17 I HA 0.593 4.764 4.170 0.001 0.000 0.333 17 I C 0.324 176.519 176.117 0.130 0.000 1.413 17 I CA -0.375 60.978 61.300 0.088 0.000 1.110 17 I CB 0.666 38.656 38.000 -0.018 0.000 1.082 17 I HN -0.179 nan 8.210 nan 0.000 0.402 18 G N 1.289 110.215 108.800 0.210 0.000 2.343 18 G HA2 0.031 3.992 3.960 0.001 0.000 0.298 18 G HA3 0.031 3.992 3.960 0.001 0.000 0.298 18 G C -1.075 173.975 174.900 0.250 0.000 1.644 18 G CA -0.653 44.582 45.100 0.226 0.000 0.958 18 G HN 0.040 nan 8.290 nan 0.000 0.702 19 N N 0.067 118.887 118.700 0.201 0.000 2.234 19 N HA 0.211 4.952 4.740 0.001 0.000 0.227 19 N C 0.361 176.040 175.510 0.282 0.000 1.151 19 N CA 0.741 53.934 53.050 0.238 0.000 0.865 19 N CB 1.456 40.025 38.487 0.137 0.000 1.066 19 N HN 1.019 nan 8.380 nan 0.000 0.515 20 T N -3.833 110.846 114.554 0.210 0.000 2.894 20 T HA 0.375 4.726 4.350 0.001 0.000 0.309 20 T C -2.569 172.235 174.700 0.173 0.000 1.208 20 T CA -1.466 60.721 62.100 0.144 0.000 1.016 20 T CB 2.844 71.769 68.868 0.095 0.000 1.192 20 T HN -0.369 nan 8.240 nan 0.000 0.491 21 P HA -0.020 nan 4.420 nan 0.000 0.216 21 P C 1.708 179.190 177.300 0.304 0.000 1.150 21 P CA 1.612 64.861 63.100 0.248 0.000 0.837 21 P CB -0.224 31.611 31.700 0.225 0.000 0.786 22 A N 0.731 123.662 122.820 0.184 0.000 1.851 22 A HA -0.274 4.047 4.320 0.001 0.000 0.216 22 A C 2.124 179.824 177.584 0.192 0.000 1.195 22 A CA 2.139 54.285 52.037 0.182 0.000 0.622 22 A CB -1.336 17.724 19.000 0.099 0.000 0.831 22 A HN 0.283 nan 8.150 nan 0.000 0.444 23 E N -1.406 118.893 120.200 0.165 0.000 2.110 23 E HA -0.189 4.162 4.350 0.001 0.000 0.193 23 E C 1.839 178.530 176.600 0.153 0.000 0.988 23 E CA 1.272 57.751 56.400 0.132 0.000 0.804 23 E CB -0.426 29.344 29.700 0.116 0.000 0.745 23 E HN 0.629 nan 8.360 nan 0.000 0.458 24 F N 1.816 121.812 119.950 0.077 0.000 2.069 24 F HA -0.214 4.314 4.527 0.001 0.000 0.298 24 F C 2.185 177.994 175.800 0.014 0.000 1.113 24 F CA 1.738 59.773 58.000 0.059 0.000 1.214 24 F CB -0.263 38.802 39.000 0.108 0.000 0.978 24 F HN 0.143 nan 8.300 nan 0.000 0.474 25 W N 1.202 122.522 121.300 0.034 0.000 2.388 25 W HA -0.261 4.400 4.660 0.001 0.000 0.294 25 W C 2.096 178.470 176.519 -0.243 0.000 1.212 25 W CA 1.659 58.901 57.345 -0.171 0.000 1.271 25 W CB -0.851 28.520 29.460 -0.149 0.000 1.126 25 W HN 0.193 nan 8.180 nan 0.000 0.535 26 N N 0.286 118.912 118.700 -0.124 0.000 2.149 26 N HA -0.179 4.562 4.740 0.001 0.000 0.188 26 N C 1.845 177.177 175.510 -0.296 0.000 1.019 26 N CA 2.546 55.480 53.050 -0.194 0.000 0.857 26 N CB -0.506 37.961 38.487 -0.033 0.000 0.997 26 N HN -0.121 nan 8.380 nan 0.000 0.426 27 S N -0.071 115.462 115.700 -0.278 0.000 2.368 27 S HA -0.019 4.452 4.470 0.001 0.000 0.225 27 S C 1.860 176.220 174.600 -0.399 0.000 1.030 27 S CA 0.754 58.809 58.200 -0.243 0.000 0.999 27 S CB -0.298 62.786 63.200 -0.194 0.000 0.844 27 S HN 0.313 nan 8.310 nan 0.000 0.459 28 L N 1.016 121.749 121.223 -0.817 0.000 2.046 28 L HA -0.139 4.202 4.340 0.001 0.000 0.208 28 L C 2.763 179.155 176.870 -0.797 0.000 1.077 28 L CA 1.306 55.410 54.840 -1.227 0.000 0.747 28 L CB -0.658 40.573 42.059 -1.380 0.000 0.896 28 L HN 0.333 nan 8.230 nan 0.000 0.432 29 A N -0.361 121.915 122.820 -0.907 0.000 2.015 29 A HA -0.160 4.161 4.320 0.001 0.000 0.219 29 A C 2.182 179.584 177.584 -0.303 0.000 1.163 29 A CA 1.953 53.584 52.037 -0.677 0.000 0.646 29 A CB -0.660 17.860 19.000 -0.801 0.000 0.806 29 A HN 0.518 nan 8.150 nan 0.000 0.448 30 T N -4.828 109.594 114.554 -0.220 0.000 3.069 30 T HA 0.417 4.768 4.350 0.001 0.000 0.252 30 T C 1.217 175.920 174.700 0.005 0.000 1.053 30 T CA 0.966 63.013 62.100 -0.089 0.000 0.964 30 T CB 0.006 68.824 68.868 -0.083 0.000 1.005 30 T HN 1.626 nan 8.240 nan 0.000 0.532 31 G N 1.885 110.747 108.800 0.104 0.000 2.225 31 G HA2 -0.271 3.690 3.960 0.001 0.000 0.267 31 G HA3 -0.271 3.690 3.960 0.001 0.000 0.267 31 G C -0.048 174.946 174.900 0.156 0.000 1.024 31 G CA 0.125 45.373 45.100 0.246 0.000 0.784 31 G HN 0.652 nan 8.290 nan 0.000 0.507 32 K N 0.834 121.341 120.400 0.179 0.000 2.284 32 K HA 0.425 4.746 4.320 0.001 0.000 0.287 32 K C 1.400 178.087 176.600 0.146 0.000 1.081 32 K CA -0.615 55.724 56.287 0.087 0.000 0.910 32 K CB 0.265 32.789 32.500 0.041 0.000 1.088 32 K HN 0.604 nan 8.250 nan 0.000 0.478 33 I N -0.093 120.478 120.570 0.002 0.000 2.886 33 I HA 0.341 4.512 4.170 0.001 0.000 0.299 33 I C 0.854 176.992 176.117 0.034 0.000 1.044 33 I CA -0.222 61.066 61.300 -0.019 0.000 1.310 33 I CB 1.288 39.178 38.000 -0.183 0.000 1.441 33 I HN 0.554 nan 8.210 nan 0.000 0.578 34 G N 4.437 113.269 108.800 0.054 0.000 3.324 34 G HA2 0.336 4.296 3.960 0.001 0.000 0.251 34 G HA3 0.336 4.296 3.960 0.001 0.000 0.251 34 G C 0.316 175.234 174.900 0.029 0.000 1.072 34 G CA -0.232 44.899 45.100 0.051 0.000 0.787 34 G HN 0.505 nan 8.290 nan 0.000 0.537 35 I N 1.371 121.946 120.570 0.008 0.000 2.474 35 I HA 0.570 4.740 4.170 0.001 0.000 0.287 35 I C 0.855 176.962 176.117 -0.018 0.000 1.048 35 I CA 0.104 61.402 61.300 -0.004 0.000 1.383 35 I CB 1.629 39.620 38.000 -0.014 0.000 1.412 35 I HN 0.087 nan 8.210 nan 0.000 0.531 36 G N 3.208 111.992 108.800 -0.026 0.000 2.663 36 G HA2 0.549 4.510 3.960 0.001 0.000 0.299 36 G HA3 0.549 4.510 3.960 0.001 0.000 0.299 36 G C -0.678 174.186 174.900 -0.061 0.000 1.372 36 G CA -0.624 44.455 45.100 -0.034 0.000 0.781 36 G HN 0.780 nan 8.290 nan 0.000 0.491 37 G N -0.793 107.973 108.800 -0.056 0.000 2.414 37 G HA2 0.411 4.372 3.960 0.001 0.000 0.236 37 G HA3 0.411 4.372 3.960 0.001 0.000 0.236 37 G C 0.273 175.081 174.900 -0.154 0.000 1.293 37 G CA -0.292 44.754 45.100 -0.090 0.000 0.869 37 G HN 0.603 nan 8.290 nan 0.000 0.556 38 I N 1.322 121.677 120.570 -0.358 0.000 2.618 38 I HA 0.059 4.230 4.170 0.001 0.000 0.284 38 I C 1.769 177.757 176.117 -0.216 0.000 1.146 38 I CA 0.540 61.589 61.300 -0.418 0.000 1.425 38 I CB 1.317 38.799 38.000 -0.862 0.000 1.383 38 I HN 0.716 nan 8.210 nan 0.000 0.562 39 T N 1.023 115.489 114.554 -0.147 0.000 2.959 39 T HA 0.143 4.493 4.350 0.001 0.000 0.254 39 T C 1.354 176.024 174.700 -0.050 0.000 1.003 39 T CA -0.308 61.756 62.100 -0.060 0.000 0.950 39 T CB 0.105 68.963 68.868 -0.017 0.000 1.090 39 T HN 0.482 nan 8.240 nan 0.000 0.503 40 K N 0.817 121.175 120.400 -0.071 0.000 2.283 40 K HA 0.198 4.518 4.320 0.001 0.000 0.202 40 K C 0.109 176.818 176.600 0.181 0.000 1.048 40 K CA 0.884 57.211 56.287 0.067 0.000 0.948 40 K CB -0.137 32.462 32.500 0.164 0.000 0.742 40 K HN 0.682 nan 8.250 nan 0.000 0.458 41 F N -2.327 117.643 119.950 0.034 0.000 2.741 41 F HA 0.288 4.816 4.527 0.001 0.000 0.313 41 F C -1.470 174.351 175.800 0.034 0.000 1.153 41 F CA -2.008 56.004 58.000 0.021 0.000 0.931 41 F CB 0.686 39.681 39.000 -0.009 0.000 1.335 41 F HN -0.329 nan 8.300 nan 0.000 0.460 42 D N 1.010 121.560 120.400 0.249 0.000 2.344 42 D HA 0.135 4.775 4.640 0.001 0.000 0.253 42 D C 0.215 176.608 176.300 0.155 0.000 1.255 42 D CA 0.167 54.218 54.000 0.085 0.000 0.894 42 D CB 0.119 40.982 40.800 0.105 0.000 1.067 42 D HN 0.749 nan 8.370 nan 0.000 0.492 43 H N 0.379 119.406 119.070 -0.070 0.000 2.487 43 H HA 0.240 4.797 4.556 0.001 0.000 0.290 43 H C 1.348 176.857 175.328 0.302 0.000 1.081 43 H CA 0.109 56.114 56.048 -0.071 0.000 1.116 43 H CB 0.036 29.539 29.762 -0.431 0.000 1.560 43 H HN 0.188 nan 8.280 nan 0.000 0.548 44 S N -0.381 115.348 115.700 0.048 0.000 2.419 44 S HA -0.191 4.280 4.470 0.001 0.000 0.233 44 S C 1.134 175.908 174.600 0.290 0.000 1.016 44 S CA 1.188 59.457 58.200 0.116 0.000 0.974 44 S CB -0.063 63.136 63.200 -0.003 0.000 0.786 44 S HN 0.421 nan 8.310 nan 0.000 0.492 45 D N 0.322 120.938 120.400 0.360 0.000 2.340 45 D HA 0.298 4.939 4.640 0.001 0.000 0.220 45 D C -0.250 176.177 176.300 0.212 0.000 1.039 45 D CA 0.108 54.255 54.000 0.246 0.000 0.866 45 D CB -0.100 40.790 40.800 0.150 0.000 0.913 45 D HN 0.337 nan 8.370 nan 0.000 0.523 46 F N 0.701 120.736 119.950 0.141 0.000 2.380 46 F HA 0.182 4.709 4.527 0.001 0.000 0.319 46 F C 1.670 177.412 175.800 -0.097 0.000 1.113 46 F CA -0.725 57.294 58.000 0.031 0.000 1.056 46 F CB 0.794 39.818 39.000 0.040 0.000 1.289 46 F HN -0.317 nan 8.300 nan 0.000 0.515 47 D N -0.274 120.135 120.400 0.015 0.000 2.355 47 D HA 0.088 4.729 4.640 0.001 0.000 0.206 47 D C -0.113 176.025 176.300 -0.270 0.000 1.010 47 D CA 0.761 54.724 54.000 -0.061 0.000 0.875 47 D CB 0.379 41.171 40.800 -0.014 0.000 0.966 47 D HN -0.011 nan 8.370 nan 0.000 0.512 48 V N 1.826 121.592 119.914 -0.248 0.000 2.407 48 V HA 0.165 4.286 4.120 0.001 0.000 0.278 48 V C 0.521 176.313 176.094 -0.502 0.000 1.037 48 V CA -0.306 61.840 62.300 -0.256 0.000 0.900 48 V CB 1.524 33.306 31.823 -0.069 0.000 0.983 48 V HN 0.229 nan 8.190 nan 0.000 0.459 49 H N 2.470 121.489 119.070 -0.085 0.000 3.058 49 H HA 0.361 4.918 4.556 0.001 0.000 0.266 49 H C -0.118 174.952 175.328 -0.430 0.000 1.135 49 H CA -0.238 55.623 56.048 -0.313 0.000 1.174 49 H CB 0.850 30.601 29.762 -0.018 0.000 1.581 49 H HN 0.511 nan 8.280 nan 0.000 0.553 50 N N 0.812 119.399 118.700 -0.189 0.000 2.328 50 N HA 0.667 5.408 4.740 0.001 0.000 0.299 50 N C -0.628 174.801 175.510 -0.136 0.000 1.179 50 N CA -0.301 52.658 53.050 -0.152 0.000 0.793 50 N CB 3.013 41.458 38.487 -0.069 0.000 1.366 50 N HN 0.199 nan 8.380 nan 0.000 0.493 51 A N -0.344 122.418 122.820 -0.096 0.000 2.601 51 A HA 0.751 5.072 4.320 0.001 0.000 0.291 51 A C -1.670 175.911 177.584 -0.005 0.000 1.075 51 A CA -0.667 51.349 52.037 -0.034 0.000 0.671 51 A CB 0.840 19.820 19.000 -0.033 0.000 1.277 51 A HN 0.604 nan 8.150 nan 0.000 0.417 52 A N 1.152 123.995 122.820 0.038 0.000 2.444 52 A HA 0.624 4.944 4.320 0.001 0.000 0.332 52 A C -0.142 177.474 177.584 0.053 0.000 1.430 52 A CA -0.217 51.849 52.037 0.049 0.000 0.975 52 A CB -0.319 18.727 19.000 0.076 0.000 1.147 52 A HN 0.664 nan 8.150 nan 0.000 0.524 53 E N 1.456 121.678 120.200 0.038 0.000 2.250 53 E HA 0.458 4.809 4.350 0.001 0.000 0.269 53 E C -0.867 175.757 176.600 0.039 0.000 1.018 53 E CA -0.661 55.766 56.400 0.044 0.000 0.873 53 E CB 1.853 31.576 29.700 0.038 0.000 1.134 53 E HN 0.626 nan 8.360 nan 0.000 0.403 54 I N 2.645 123.231 120.570 0.027 0.000 2.287 54 I HA 0.018 4.189 4.170 0.001 0.000 0.290 54 I C 0.809 176.974 176.117 0.079 0.000 1.069 54 I CA 0.202 61.515 61.300 0.022 0.000 1.237 54 I CB 0.367 38.310 38.000 -0.095 0.000 1.418 54 I HN 0.405 nan 8.210 nan 0.000 0.481 55 Q N 3.449 123.295 119.800 0.076 0.000 2.360 55 Q HA 0.004 4.344 4.340 0.001 0.000 0.202 55 Q C -0.222 175.834 176.000 0.094 0.000 0.915 55 Q CA 0.307 56.158 55.803 0.080 0.000 0.943 55 Q CB 0.283 29.053 28.738 0.053 0.000 1.064 55 Q HN 0.693 nan 8.270 nan 0.000 0.511 56 D N -0.786 119.679 120.400 0.108 0.000 2.895 56 D HA 0.012 4.653 4.640 0.001 0.000 0.350 56 D C -0.599 175.775 176.300 0.123 0.000 1.389 56 D CA -0.691 53.367 54.000 0.097 0.000 0.812 56 D CB -0.704 40.131 40.800 0.058 0.000 1.164 56 D HN -0.075 nan 8.370 nan 0.000 0.455 57 F N 2.714 122.683 119.950 0.033 0.000 2.602 57 F HA 0.260 4.788 4.527 0.001 0.000 0.385 57 F C -1.811 174.009 175.800 0.034 0.000 1.063 57 F CA -2.087 55.922 58.000 0.015 0.000 1.233 57 F CB 0.767 39.862 39.000 0.159 0.000 1.067 57 F HN -0.133 nan 8.300 nan 0.000 0.564 58 P HA 0.029 nan 4.420 nan 0.000 0.226 58 P C 0.737 177.663 177.300 -0.624 0.000 1.783 58 P CA 0.260 63.035 63.100 -0.542 0.000 0.980 58 P CB -0.611 30.794 31.700 -0.491 0.000 1.967 59 F N 2.038 121.706 119.950 -0.469 0.000 2.120 59 F HA -0.246 4.282 4.527 0.001 0.000 0.300 59 F C 1.518 177.341 175.800 0.038 0.000 1.095 59 F CA 1.819 59.804 58.000 -0.024 0.000 1.249 59 F CB -0.095 39.063 39.000 0.264 0.000 0.995 59 F HN 0.037 nan 8.300 nan 0.000 0.480 60 D N 0.213 120.695 120.400 0.137 0.000 2.263 60 D HA -0.178 4.463 4.640 0.001 0.000 0.208 60 D C 2.124 178.310 176.300 -0.190 0.000 0.971 60 D CA 0.806 54.828 54.000 0.036 0.000 0.867 60 D CB -0.349 40.497 40.800 0.076 0.000 0.929 60 D HN 0.384 nan 8.370 nan 0.000 0.492 61 K N -0.446 119.744 120.400 -0.350 0.000 2.063 61 K HA -0.177 4.144 4.320 0.001 0.000 0.208 61 K C 1.069 177.211 176.600 -0.763 0.000 1.048 61 K CA 1.360 57.295 56.287 -0.587 0.000 0.928 61 K CB 0.067 32.112 32.500 -0.760 0.000 0.713 61 K HN 0.266 nan 8.250 nan 0.000 0.442 62 Y N -2.304 117.690 120.300 -0.510 0.000 2.425 62 Y HA 0.252 4.803 4.550 0.001 0.000 0.261 62 Y C 0.022 175.500 175.900 -0.702 0.000 1.084 62 Y CA -1.090 56.610 58.100 -0.666 0.000 1.248 62 Y CB 0.698 38.608 38.460 -0.915 0.000 1.270 62 Y HN -0.164 nan 8.280 nan 0.000 0.524 63 F N 0.488 120.311 119.950 -0.211 0.000 2.523 63 F HA 0.607 5.134 4.527 0.001 0.000 0.329 63 F C 0.082 175.741 175.800 -0.235 0.000 1.061 63 F CA -1.720 56.058 58.000 -0.371 0.000 0.967 63 F CB 1.435 39.840 39.000 -0.992 0.000 1.218 63 F HN -0.367 nan 8.300 nan 0.000 0.480 64 V N -0.824 119.222 119.914 0.220 0.000 3.019 64 V HA 0.450 4.571 4.120 0.001 0.000 0.317 64 V C 0.798 177.204 176.094 0.520 0.000 1.094 64 V CA -1.078 61.413 62.300 0.319 0.000 1.000 64 V CB 1.800 33.744 31.823 0.201 0.000 1.060 64 V HN 0.892 nan 8.190 nan 0.000 0.443 65 K N 1.018 121.680 120.400 0.436 0.000 2.059 65 K HA -0.255 4.066 4.320 0.001 0.000 0.212 65 K C 1.946 178.700 176.600 0.257 0.000 1.050 65 K CA 2.545 59.022 56.287 0.316 0.000 0.927 65 K CB -0.213 32.380 32.500 0.156 0.000 0.714 65 K HN 0.801 nan 8.250 nan 0.000 0.447 66 K N 0.364 120.881 120.400 0.195 0.000 2.281 66 K HA -0.145 4.176 4.320 0.001 0.000 0.203 66 K C 1.400 178.083 176.600 0.138 0.000 1.046 66 K CA 1.595 57.959 56.287 0.129 0.000 0.938 66 K CB 0.051 32.608 32.500 0.094 0.000 0.737 66 K HN 0.251 nan 8.250 nan 0.000 0.458 67 D N -0.411 120.137 120.400 0.246 0.000 2.218 67 D HA -0.129 4.512 4.640 0.001 0.000 0.204 67 D C 1.700 178.113 176.300 0.189 0.000 0.976 67 D CA 1.615 55.763 54.000 0.245 0.000 0.853 67 D CB -0.182 40.846 40.800 0.381 0.000 0.939 67 D HN 0.415 nan 8.370 nan 0.000 0.481 68 T N -1.486 113.203 114.554 0.224 0.000 3.051 68 T HA -0.075 4.275 4.350 0.001 0.000 0.269 68 T C 1.507 176.227 174.700 0.033 0.000 1.127 68 T CA 0.533 62.714 62.100 0.136 0.000 1.107 68 T CB -0.040 68.887 68.868 0.098 0.000 0.898 68 T HN -0.086 nan 8.240 nan 0.000 0.517 69 N N 2.257 120.956 118.700 -0.002 0.000 2.331 69 N HA -0.022 4.719 4.740 0.001 0.000 0.180 69 N C 1.885 177.325 175.510 -0.116 0.000 1.019 69 N CA 1.117 54.140 53.050 -0.045 0.000 0.881 69 N CB -0.174 38.289 38.487 -0.041 0.000 0.972 69 N HN 0.792 nan 8.380 nan 0.000 0.435 70 R N -1.532 118.823 120.500 -0.240 0.000 2.476 70 R HA 0.251 4.592 4.340 0.001 0.000 0.276 70 R C -0.517 175.463 176.300 -0.532 0.000 0.941 70 R CA -0.090 55.752 56.100 -0.431 0.000 1.088 70 R CB 0.117 30.054 30.300 -0.606 0.000 1.216 70 R HN -0.064 nan 8.270 nan 0.000 0.533 71 F N 1.293 121.219 119.950 -0.040 0.000 2.539 71 F HA 0.319 4.847 4.527 0.001 0.000 0.318 71 F C -0.283 175.469 175.800 -0.080 0.000 1.135 71 F CA -1.398 56.549 58.000 -0.088 0.000 0.915 71 F CB 2.068 40.958 39.000 -0.182 0.000 1.176 71 F HN -0.078 nan 8.300 nan 0.000 0.440 72 D N 1.303 121.785 120.400 0.136 0.000 2.354 72 D HA 0.135 4.776 4.640 0.001 0.000 0.247 72 D C 0.982 177.244 176.300 -0.063 0.000 1.138 72 D CA -0.124 53.922 54.000 0.077 0.000 0.958 72 D CB 0.839 41.756 40.800 0.195 0.000 1.144 72 D HN 0.375 nan 8.370 nan 0.000 0.458 73 N N 0.285 118.877 118.700 -0.179 0.000 2.205 73 N HA -0.236 4.505 4.740 0.001 0.000 0.186 73 N C 1.433 176.493 175.510 -0.750 0.000 1.015 73 N CA 1.133 53.835 53.050 -0.580 0.000 0.862 73 N CB -0.551 37.542 38.487 -0.657 0.000 0.986 73 N HN 0.604 nan 8.380 nan 0.000 0.429 74 Y N 0.068 120.120 120.300 -0.412 0.000 2.256 74 Y HA -0.064 4.487 4.550 0.001 0.000 0.288 74 Y C 2.160 177.972 175.900 -0.146 0.000 1.155 74 Y CA 1.388 59.349 58.100 -0.232 0.000 1.203 74 Y CB -0.460 37.965 38.460 -0.059 0.000 0.980 74 Y HN -0.091 nan 8.280 nan 0.000 0.530 75 S N 0.801 116.041 115.700 -0.768 0.000 2.377 75 S HA -0.002 4.469 4.470 0.001 0.000 0.223 75 S C 1.907 176.246 174.600 -0.434 0.000 1.030 75 S CA 0.985 58.790 58.200 -0.659 0.000 0.970 75 S CB -0.420 62.524 63.200 -0.427 0.000 0.830 75 S HN 0.493 nan 8.310 nan 0.000 0.473 76 L N 0.203 121.157 121.223 -0.448 0.000 2.042 76 L HA -0.185 4.156 4.340 0.001 0.000 0.210 76 L C 2.149 179.086 176.870 0.111 0.000 1.076 76 L CA 1.618 56.221 54.840 -0.395 0.000 0.749 76 L CB -0.744 41.046 42.059 -0.449 0.000 0.893 76 L HN 0.441 nan 8.230 nan 0.000 0.432 77 Y N -0.478 119.774 120.300 -0.081 0.000 2.181 77 Y HA -0.267 4.284 4.550 0.001 0.000 0.288 77 Y C 2.717 178.747 175.900 0.218 0.000 1.146 77 Y CA 0.265 58.409 58.100 0.073 0.000 1.164 77 Y CB -0.307 38.134 38.460 -0.033 0.000 0.982 77 Y HN 0.211 nan 8.280 nan 0.000 0.515 78 A N 0.432 123.381 122.820 0.216 0.000 1.898 78 A HA -0.145 4.176 4.320 0.001 0.000 0.216 78 A C 2.171 179.859 177.584 0.174 0.000 1.181 78 A CA 1.272 53.396 52.037 0.145 0.000 0.620 78 A CB -1.022 17.976 19.000 -0.004 0.000 0.819 78 A HN 0.438 nan 8.150 nan 0.000 0.442 79 L N -2.031 119.284 121.223 0.153 0.000 2.046 79 L HA -0.211 4.130 4.340 0.001 0.000 0.208 79 L C 2.600 179.633 176.870 0.271 0.000 1.077 79 L CA 1.964 56.911 54.840 0.179 0.000 0.747 79 L CB -0.700 41.431 42.059 0.119 0.000 0.896 79 L HN 0.618 nan 8.230 nan 0.000 0.432 80 Y N 0.651 121.191 120.300 0.401 0.000 2.114 80 Y HA -0.297 4.253 4.550 0.001 0.000 0.284 80 Y C 2.488 178.534 175.900 0.243 0.000 1.143 80 Y CA 1.522 59.844 58.100 0.370 0.000 1.135 80 Y CB -0.361 38.489 38.460 0.650 0.000 0.980 80 Y HN 0.089 nan 8.280 nan 0.000 0.499 81 A N 0.639 123.652 122.820 0.322 0.000 1.933 81 A HA -0.125 4.196 4.320 0.001 0.000 0.218 81 A C 2.390 179.976 177.584 0.005 0.000 1.175 81 A CA 1.963 54.077 52.037 0.129 0.000 0.628 81 A CB -1.519 17.620 19.000 0.231 0.000 0.814 81 A HN 0.661 nan 8.150 nan 0.000 0.444 82 A N -1.077 121.773 122.820 0.050 0.000 1.898 82 A HA -0.143 4.178 4.320 0.001 0.000 0.216 82 A C 2.140 179.673 177.584 -0.086 0.000 1.181 82 A CA 1.995 54.025 52.037 -0.012 0.000 0.620 82 A CB -0.468 18.591 19.000 0.097 0.000 0.819 82 A HN 0.522 nan 8.150 nan 0.000 0.442 83 Q N -0.002 119.788 119.800 -0.017 0.000 2.084 83 Q HA -0.162 4.179 4.340 0.001 0.000 0.202 83 Q C 1.863 177.741 176.000 -0.204 0.000 0.978 83 Q CA 1.913 57.649 55.803 -0.113 0.000 0.844 83 Q CB -0.223 28.094 28.738 -0.701 0.000 0.898 83 Q HN 0.628 nan 8.270 nan 0.000 0.426 84 E N -0.156 119.888 120.200 -0.259 0.000 2.077 84 E HA -0.155 4.196 4.350 0.001 0.000 0.193 84 E C 1.858 178.397 176.600 -0.102 0.000 0.989 84 E CA 1.176 57.458 56.400 -0.197 0.000 0.800 84 E CB -0.419 29.100 29.700 -0.303 0.000 0.746 84 E HN 0.477 nan 8.360 nan 0.000 0.452 85 A N 1.063 123.828 122.820 -0.092 0.000 1.902 85 A HA -0.136 4.185 4.320 0.001 0.000 0.217 85 A C 2.627 180.141 177.584 -0.117 0.000 1.181 85 A CA 1.433 53.434 52.037 -0.061 0.000 0.623 85 A CB -0.686 18.282 19.000 -0.054 0.000 0.818 85 A HN 0.133 nan 8.150 nan 0.000 0.443 86 V N 0.925 120.725 119.914 -0.189 0.000 2.343 86 V HA -0.255 3.866 4.120 0.001 0.000 0.247 86 V C 2.326 178.352 176.094 -0.114 0.000 1.051 86 V CA 2.163 64.334 62.300 -0.216 0.000 1.036 86 V CB -0.976 30.636 31.823 -0.353 0.000 0.654 86 V HN 0.557 nan 8.190 nan 0.000 0.451 87 N N -0.367 118.292 118.700 -0.070 0.000 2.058 87 N HA -0.188 4.552 4.740 0.001 0.000 0.191 87 N C 1.833 177.337 175.510 -0.009 0.000 1.037 87 N CA 1.896 54.928 53.050 -0.031 0.000 0.848 87 N CB -0.729 37.749 38.487 -0.016 0.000 1.021 87 N HN 0.679 nan 8.380 nan 0.000 0.422 88 H N 0.118 119.099 119.070 -0.149 0.000 2.321 88 H HA -0.108 4.449 4.556 0.001 0.000 0.295 88 H C 1.467 176.680 175.328 -0.192 0.000 1.102 88 H CA 1.444 57.376 56.048 -0.193 0.000 1.266 88 H CB 0.124 29.717 29.762 -0.282 0.000 1.363 88 H HN 0.279 nan 8.280 nan 0.000 0.492 89 A N 0.364 123.096 122.820 -0.148 0.000 2.167 89 A HA -0.098 4.223 4.320 0.001 0.000 0.214 89 A C 1.133 178.630 177.584 -0.145 0.000 1.151 89 A CA 0.789 52.694 52.037 -0.219 0.000 0.735 89 A CB -0.184 18.684 19.000 -0.219 0.000 0.802 89 A HN 0.763 nan 8.150 nan 0.000 0.467 90 N N -1.999 116.643 118.700 -0.098 0.000 2.721 90 N HA -0.167 4.574 4.740 0.001 0.000 0.249 90 N C -0.478 174.976 175.510 -0.093 0.000 1.072 90 N CA 0.704 53.707 53.050 -0.078 0.000 0.710 90 N CB -1.886 36.559 38.487 -0.070 0.000 0.993 90 N HN 0.452 nan 8.380 nan 0.000 0.547 91 L N 0.687 121.840 121.223 -0.117 0.000 2.361 91 L HA 0.324 4.665 4.340 0.001 0.000 0.278 91 L C -0.015 176.786 176.870 -0.116 0.000 1.113 91 L CA -0.116 54.639 54.840 -0.141 0.000 0.849 91 L CB 0.678 42.611 42.059 -0.210 0.000 1.155 91 L HN 0.127 nan 8.230 nan 0.000 0.452 92 D N 3.727 124.066 120.400 -0.101 0.000 2.456 92 D HA 0.092 4.733 4.640 0.001 0.000 0.219 92 D C 1.199 177.450 176.300 -0.082 0.000 1.126 92 D CA -0.155 53.805 54.000 -0.067 0.000 0.890 92 D CB 1.151 41.919 40.800 -0.053 0.000 1.025 92 D HN 0.437 nan 8.370 nan 0.000 0.511 93 V N 2.683 122.561 119.914 -0.059 0.000 2.720 93 V HA -0.118 4.003 4.120 0.001 0.000 0.256 93 V C 1.853 177.948 176.094 0.001 0.000 1.082 93 V CA 1.686 63.952 62.300 -0.056 0.000 1.101 93 V CB -0.967 30.921 31.823 0.108 0.000 0.693 93 V HN 0.464 nan 8.190 nan 0.000 0.479 94 A N -0.058 122.769 122.820 0.011 0.000 2.206 94 A HA 0.575 4.896 4.320 0.001 0.000 0.211 94 A C 2.138 179.724 177.584 0.002 0.000 1.158 94 A CA 1.084 53.131 52.037 0.018 0.000 0.761 94 A CB -0.442 18.568 19.000 0.017 0.000 0.801 94 A HN 0.957 nan 8.150 nan 0.000 0.473 95 A N -0.811 121.998 122.820 -0.018 0.000 2.348 95 A HA 0.550 4.871 4.320 0.001 0.000 0.224 95 A C 0.646 178.222 177.584 -0.014 0.000 1.227 95 A CA -0.208 51.814 52.037 -0.025 0.000 0.885 95 A CB -0.054 18.918 19.000 -0.047 0.000 0.933 95 A HN 0.382 nan 8.150 nan 0.000 0.506 96 L N -0.031 121.186 121.223 -0.011 0.000 2.416 96 L HA 0.319 4.660 4.340 0.001 0.000 0.262 96 L C 0.152 177.054 176.870 0.054 0.000 1.093 96 L CA -0.954 53.897 54.840 0.018 0.000 0.801 96 L CB 0.582 42.587 42.059 -0.091 0.000 1.191 96 L HN 0.196 nan 8.230 nan 0.000 0.459 97 N N 0.960 119.707 118.700 0.079 0.000 2.437 97 N HA 0.127 4.868 4.740 0.001 0.000 0.243 97 N C 0.660 176.240 175.510 0.117 0.000 1.041 97 N CA -0.023 53.076 53.050 0.082 0.000 0.940 97 N CB 0.731 39.263 38.487 0.076 0.000 1.133 97 N HN 0.448 nan 8.380 nan 0.000 0.506 98 R N 1.692 122.273 120.500 0.136 0.000 2.241 98 R HA -0.054 4.287 4.340 0.001 0.000 0.224 98 R C 0.070 176.466 176.300 0.160 0.000 1.101 98 R CA 0.908 57.131 56.100 0.205 0.000 0.995 98 R CB 0.267 30.674 30.300 0.178 0.000 0.870 98 R HN 0.554 nan 8.270 nan 0.000 0.463 99 D N 0.003 120.469 120.400 0.110 0.000 2.347 99 D HA -0.031 4.610 4.640 0.001 0.000 0.213 99 D C 1.148 177.502 176.300 0.090 0.000 0.985 99 D CA 0.693 54.742 54.000 0.082 0.000 0.879 99 D CB 0.249 41.087 40.800 0.063 0.000 0.919 99 D HN 0.112 nan 8.370 nan 0.000 0.526 100 R N 0.125 120.692 120.500 0.111 0.000 2.468 100 R HA 0.128 4.469 4.340 0.001 0.000 0.280 100 R C -0.162 176.222 176.300 0.139 0.000 0.963 100 R CA -0.387 55.771 56.100 0.097 0.000 1.083 100 R CB 0.282 30.618 30.300 0.060 0.000 1.200 100 R HN 0.011 nan 8.270 nan 0.000 0.541 101 F N 1.085 121.019 119.950 -0.026 0.000 2.403 101 F HA 0.667 5.195 4.527 0.001 0.000 0.355 101 F C -0.149 175.642 175.800 -0.015 0.000 1.119 101 F CA -1.747 56.227 58.000 -0.042 0.000 1.007 101 F CB 1.170 40.154 39.000 -0.027 0.000 1.194 101 F HN 0.007 nan 8.300 nan 0.000 0.443 102 G N 3.834 112.634 108.800 -0.001 0.000 2.644 102 G HA2 0.684 4.645 3.960 0.001 0.000 0.307 102 G HA3 0.684 4.645 3.960 0.001 0.000 0.307 102 G C -2.026 172.764 174.900 -0.183 0.000 1.250 102 G CA -0.915 44.101 45.100 -0.139 0.000 0.996 102 G HN 0.545 nan 8.290 nan 0.000 0.489 103 V N 0.283 120.113 119.914 -0.141 0.000 2.808 103 V HA 0.503 4.624 4.120 0.001 0.000 0.308 103 V C -0.826 175.243 176.094 -0.041 0.000 1.099 103 V CA -0.458 61.783 62.300 -0.098 0.000 0.920 103 V CB 1.854 33.604 31.823 -0.122 0.000 1.014 103 V HN 0.630 nan 8.190 nan 0.000 0.425 104 I N 4.600 125.162 120.570 -0.013 0.000 2.468 104 I HA 0.510 4.681 4.170 0.001 0.000 0.285 104 I C -1.030 175.099 176.117 0.020 0.000 1.039 104 I CA -0.764 60.538 61.300 0.003 0.000 1.074 104 I CB 2.174 40.176 38.000 0.004 0.000 1.228 104 I HN 0.266 nan 8.210 nan 0.000 0.436 105 V N 5.598 125.532 119.914 0.033 0.000 2.349 105 V HA 0.554 4.674 4.120 0.001 0.000 0.284 105 V C 0.538 176.680 176.094 0.081 0.000 1.014 105 V CA -0.591 61.742 62.300 0.055 0.000 0.826 105 V CB 1.387 33.239 31.823 0.049 0.000 1.009 105 V HN 0.812 nan 8.190 nan 0.000 0.431 106 A N 3.697 126.565 122.820 0.079 0.000 2.351 106 A HA 0.806 5.127 4.320 0.001 0.000 0.257 106 A C 0.275 177.936 177.584 0.128 0.000 1.087 106 A CA -0.061 52.027 52.037 0.084 0.000 0.798 106 A CB 1.012 20.048 19.000 0.061 0.000 1.033 106 A HN 0.946 nan 8.150 nan 0.000 0.488 107 S N -0.280 115.492 115.700 0.120 0.000 2.548 107 S HA 0.516 4.987 4.470 0.001 0.000 0.278 107 S C 0.675 175.322 174.600 0.078 0.000 1.150 107 S CA 0.095 58.378 58.200 0.138 0.000 0.907 107 S CB 1.082 64.413 63.200 0.219 0.000 1.108 107 S HN 1.429 nan 8.310 nan 0.000 0.459 108 G N 2.319 111.166 108.800 0.078 0.000 2.539 108 G HA2 0.186 4.147 3.960 0.001 0.000 0.215 108 G HA3 0.186 4.147 3.960 0.001 0.000 0.215 108 G C 0.802 175.738 174.900 0.060 0.000 1.141 108 G CA 0.490 45.638 45.100 0.080 0.000 0.806 108 G HN 0.718 nan 8.290 nan 0.000 0.533 109 I N -0.814 119.769 120.570 0.022 0.000 4.655 109 I HA 0.297 4.468 4.170 0.001 0.000 0.333 109 I C 1.489 177.507 176.117 -0.165 0.000 1.312 109 I CA 0.139 61.430 61.300 -0.014 0.000 1.270 109 I CB 0.376 38.413 38.000 0.061 0.000 1.318 109 I HN 0.268 nan 8.210 nan 0.000 0.456 110 G N 1.936 110.525 108.800 -0.352 0.000 2.552 110 G HA2 -0.271 3.690 3.960 0.001 0.000 0.265 110 G HA3 -0.271 3.690 3.960 0.001 0.000 0.265 110 G C 0.553 174.837 174.900 -1.027 0.000 1.234 110 G CA -0.168 44.349 45.100 -0.970 0.000 0.944 110 G HN 0.543 nan 8.290 nan 0.000 0.568 111 G N -0.708 107.580 108.800 -0.853 0.000 3.197 111 G HA2 0.443 4.404 3.960 0.001 0.000 0.257 111 G HA3 0.443 4.404 3.960 0.001 0.000 0.257 111 G C 1.161 175.990 174.900 -0.118 0.000 0.835 111 G CA 0.668 45.615 45.100 -0.255 0.000 2.001 111 G HN 0.981 nan 8.290 nan 0.000 0.625 112 I N 0.476 120.986 120.570 -0.100 0.000 2.454 112 I HA -0.086 4.085 4.170 0.001 0.000 0.254 112 I C 2.477 178.598 176.117 0.006 0.000 1.156 112 I CA 1.287 62.576 61.300 -0.019 0.000 1.433 112 I CB 0.092 38.132 38.000 0.066 0.000 1.082 112 I HN 0.377 nan 8.210 nan 0.000 0.432 113 K N 0.168 120.580 120.400 0.020 0.000 2.057 113 K HA -0.255 4.066 4.320 0.001 0.000 0.206 113 K C 2.138 178.738 176.600 0.001 0.000 1.050 113 K CA 1.617 57.918 56.287 0.023 0.000 0.935 113 K CB -0.140 32.382 32.500 0.036 0.000 0.715 113 K HN 0.260 nan 8.250 nan 0.000 0.439 114 E N 1.127 121.328 120.200 0.000 0.000 2.085 114 E HA -0.168 4.183 4.350 0.001 0.000 0.194 114 E C 1.777 178.360 176.600 -0.029 0.000 0.994 114 E CA 1.579 57.976 56.400 -0.005 0.000 0.801 114 E CB -0.175 29.532 29.700 0.011 0.000 0.743 114 E HN 0.401 nan 8.360 nan 0.000 0.453 115 I N 0.479 121.017 120.570 -0.052 0.000 2.127 115 I HA -0.266 3.905 4.170 0.001 0.000 0.241 115 I C 2.631 178.682 176.117 -0.110 0.000 1.075 115 I CA 1.793 63.040 61.300 -0.088 0.000 1.334 115 I CB -0.448 37.479 38.000 -0.123 0.000 1.040 115 I HN 0.284 nan 8.210 nan 0.000 0.405 116 E N 1.188 121.317 120.200 -0.118 0.000 2.051 116 E HA -0.269 4.081 4.350 0.001 0.000 0.192 116 E C 1.687 178.250 176.600 -0.063 0.000 0.991 116 E CA 1.782 58.106 56.400 -0.126 0.000 0.799 116 E CB 0.062 29.715 29.700 -0.078 0.000 0.748 116 E HN 0.384 nan 8.360 nan 0.000 0.449 117 D N 0.188 120.568 120.400 -0.034 0.000 2.117 117 D HA -0.155 4.486 4.640 0.001 0.000 0.197 117 D C 1.985 178.277 176.300 -0.012 0.000 0.987 117 D CA 0.942 54.934 54.000 -0.014 0.000 0.829 117 D CB -0.146 40.651 40.800 -0.004 0.000 0.961 117 D HN 0.233 nan 8.370 nan 0.000 0.460 118 Q N 0.054 119.842 119.800 -0.020 0.000 2.311 118 Q HA 0.027 4.367 4.340 0.001 0.000 0.203 118 Q C 2.376 178.373 176.000 -0.005 0.000 0.954 118 Q CA 0.165 55.958 55.803 -0.016 0.000 0.885 118 Q CB -0.080 28.645 28.738 -0.022 0.000 0.963 118 Q HN 0.220 nan 8.270 nan 0.000 0.471 119 V N 1.158 121.067 119.914 -0.008 0.000 2.358 119 V HA -0.214 3.907 4.120 0.001 0.000 0.246 119 V C 2.306 178.472 176.094 0.121 0.000 1.047 119 V CA 1.280 63.607 62.300 0.046 0.000 1.035 119 V CB -0.441 31.360 31.823 -0.037 0.000 0.658 119 V HN 0.248 nan 8.190 nan 0.000 0.452 120 L N -0.552 120.698 121.223 0.044 0.000 2.093 120 L HA -0.159 4.182 4.340 0.001 0.000 0.208 120 L C 2.678 179.581 176.870 0.056 0.000 1.085 120 L CA 1.679 56.552 54.840 0.054 0.000 0.755 120 L CB -0.550 41.520 42.059 0.018 0.000 0.904 120 L HN 0.238 nan 8.230 nan 0.000 0.435 121 R N 0.249 120.764 120.500 0.025 0.000 2.081 121 R HA -0.212 4.129 4.340 0.001 0.000 0.235 121 R C 2.325 178.613 176.300 -0.019 0.000 1.131 121 R CA 1.453 57.555 56.100 0.003 0.000 0.960 121 R CB -0.283 30.013 30.300 -0.007 0.000 0.856 121 R HN 0.181 nan 8.270 nan 0.000 0.436 122 L N 0.277 121.478 121.223 -0.036 0.000 2.012 122 L HA -0.189 4.152 4.340 0.001 0.000 0.210 122 L C 1.626 178.340 176.870 -0.259 0.000 1.073 122 L CA 2.081 56.833 54.840 -0.147 0.000 0.748 122 L CB -0.603 41.350 42.059 -0.178 0.000 0.891 122 L HN 0.259 nan 8.230 nan 0.000 0.431 123 H N -0.959 118.094 119.070 -0.028 0.000 2.462 123 H HA 0.004 4.561 4.556 0.001 0.000 0.292 123 H C 2.110 177.428 175.328 -0.018 0.000 1.049 123 H CA 1.435 57.469 56.048 -0.024 0.000 1.334 123 H CB 0.158 29.903 29.762 -0.028 0.000 1.404 123 H HN 0.504 nan 8.280 nan 0.000 0.544 124 E N 0.252 120.484 120.200 0.053 0.000 2.060 124 E HA -0.024 4.327 4.350 0.001 0.000 0.189 124 E C 1.235 177.834 176.600 -0.001 0.000 0.974 124 E CA 0.796 57.213 56.400 0.028 0.000 0.808 124 E CB 0.302 30.017 29.700 0.026 0.000 0.768 124 E HN 0.364 nan 8.360 nan 0.000 0.453 125 K N -0.579 119.809 120.400 -0.019 0.000 2.373 125 K HA 0.257 4.578 4.320 0.001 0.000 0.200 125 K C 0.135 176.708 176.600 -0.046 0.000 1.054 125 K CA 0.295 56.566 56.287 -0.027 0.000 1.065 125 K CB 1.878 34.366 32.500 -0.020 0.000 0.886 125 K HN 0.165 nan 8.250 nan 0.000 0.546 126 G N 2.026 110.780 108.800 -0.076 0.000 2.662 126 G HA2 -0.158 3.803 3.960 0.001 0.000 0.686 126 G HA3 -0.158 3.803 3.960 0.001 0.000 0.686 126 G C -2.474 172.370 174.900 -0.093 0.000 1.271 126 G CA -0.847 44.197 45.100 -0.093 0.000 0.816 126 G HN -0.171 nan 8.290 nan 0.000 0.608 127 P HA -0.064 nan 4.420 nan 0.000 0.218 127 P C 1.610 178.877 177.300 -0.056 0.000 1.148 127 P CA 1.550 64.602 63.100 -0.080 0.000 0.822 127 P CB 0.002 31.658 31.700 -0.072 0.000 0.784 128 K N -0.754 119.618 120.400 -0.046 0.000 2.360 128 K HA -0.085 4.236 4.320 0.001 0.000 0.201 128 K C 1.742 178.322 176.600 -0.032 0.000 1.046 128 K CA 0.844 57.110 56.287 -0.035 0.000 0.945 128 K CB -0.078 32.404 32.500 -0.029 0.000 0.750 128 K HN -0.064 nan 8.250 nan 0.000 0.464 129 R N -0.011 120.468 120.500 -0.036 0.000 2.300 129 R HA 0.112 4.453 4.340 0.001 0.000 0.199 129 R C 0.001 176.283 176.300 -0.029 0.000 0.920 129 R CA 0.017 56.099 56.100 -0.030 0.000 1.046 129 R CB -0.337 29.946 30.300 -0.028 0.000 0.984 129 R HN -0.088 nan 8.270 nan 0.000 0.493 130 V N 3.083 122.976 119.914 -0.036 0.000 2.572 130 V HA 0.009 4.130 4.120 0.001 0.000 0.291 130 V C 0.714 176.792 176.094 -0.027 0.000 1.039 130 V CA -0.265 62.015 62.300 -0.033 0.000 1.055 130 V CB 0.668 32.467 31.823 -0.040 0.000 0.969 130 V HN 0.029 nan 8.190 nan 0.000 0.482 131 K N 6.689 127.075 120.400 -0.023 0.000 2.401 131 K HA 0.138 4.459 4.320 0.001 0.000 0.278 131 K C -1.531 175.055 176.600 -0.023 0.000 1.018 131 K CA -1.610 54.664 56.287 -0.022 0.000 0.981 131 K CB 0.709 33.197 32.500 -0.019 0.000 0.933 131 K HN 0.332 nan 8.250 nan 0.000 0.477 132 P HA -0.067 nan 4.420 nan 0.000 0.218 132 P C 0.910 178.193 177.300 -0.027 0.000 1.148 132 P CA 1.170 64.255 63.100 -0.025 0.000 0.822 132 P CB 0.238 31.923 31.700 -0.026 0.000 0.784 133 M N -1.818 117.763 119.600 -0.032 0.000 2.628 133 M HA 0.051 4.532 4.480 0.001 0.000 0.232 133 M C 1.388 177.675 176.300 -0.022 0.000 1.128 133 M CA 0.887 56.164 55.300 -0.037 0.000 1.040 133 M CB -1.491 31.074 32.600 -0.059 0.000 1.608 133 M HN -0.070 nan 8.290 nan 0.000 0.507 134 T N 1.599 116.143 114.554 -0.017 0.000 2.607 134 T HA -0.165 4.186 4.350 0.001 0.000 0.267 134 T C 1.962 176.660 174.700 -0.002 0.000 1.049 134 T CA 1.457 63.550 62.100 -0.011 0.000 1.162 134 T CB -0.224 68.633 68.868 -0.018 0.000 0.863 134 T HN 0.374 nan 8.240 nan 0.000 0.424 135 L N 0.529 121.750 121.223 -0.004 0.000 2.072 135 L HA -0.015 4.326 4.340 0.001 0.000 0.205 135 L C -0.560 176.325 176.870 0.025 0.000 1.079 135 L CA 1.073 55.916 54.840 0.005 0.000 0.752 135 L CB -1.554 40.505 42.059 -0.001 0.000 0.906 135 L HN 0.199 nan 8.230 nan 0.000 0.436 136 P HA -0.151 nan 4.420 nan 0.000 0.220 136 P C 1.327 178.668 177.300 0.069 0.000 1.148 136 P CA 1.367 64.486 63.100 0.031 0.000 0.803 136 P CB 0.071 31.766 31.700 -0.008 0.000 0.782 137 K N -1.165 119.272 120.400 0.061 0.000 2.211 137 K HA 0.128 4.449 4.320 0.001 0.000 0.201 137 K C 1.997 178.708 176.600 0.184 0.000 1.052 137 K CA 1.048 57.403 56.287 0.114 0.000 0.973 137 K CB -0.209 32.327 32.500 0.060 0.000 0.766 137 K HN 0.014 nan 8.250 nan 0.000 0.466 138 A N 1.154 124.030 122.820 0.094 0.000 1.943 138 A HA 0.122 4.442 4.320 0.001 0.000 0.213 138 A C 0.865 178.443 177.584 -0.010 0.000 1.181 138 A CA 0.047 52.103 52.037 0.031 0.000 0.653 138 A CB -0.252 18.738 19.000 -0.016 0.000 0.833 138 A HN 0.093 nan 8.150 nan 0.000 0.451 139 L N 0.603 121.849 121.223 0.040 0.000 2.540 139 L HA 0.045 4.386 4.340 0.001 0.000 0.276 139 L C -1.594 175.313 176.870 0.062 0.000 1.212 139 L CA -1.091 53.766 54.840 0.029 0.000 0.893 139 L CB 0.338 42.423 42.059 0.044 0.000 1.138 139 L HN 0.135 nan 8.230 nan 0.000 0.491 140 P HA -0.128 nan 4.420 nan 0.000 0.225 140 P C 0.822 178.226 177.300 0.174 0.000 1.148 140 P CA 0.967 64.073 63.100 0.010 0.000 0.779 140 P CB -0.033 31.647 31.700 -0.033 0.000 0.780 141 N N -1.400 117.381 118.700 0.135 0.000 2.422 141 N HA -0.032 4.709 4.740 0.001 0.000 0.181 141 N C 1.281 176.879 175.510 0.145 0.000 1.080 141 N CA 0.664 53.788 53.050 0.123 0.000 0.893 141 N CB -0.624 37.906 38.487 0.072 0.000 0.973 141 N HN 0.053 nan 8.380 nan 0.000 0.456 142 M N 1.361 121.081 119.600 0.201 0.000 2.149 142 M HA -0.006 4.475 4.480 0.001 0.000 0.261 142 M C 2.381 178.732 176.300 0.085 0.000 1.064 142 M CA 1.207 56.602 55.300 0.159 0.000 1.102 142 M CB -1.323 31.389 32.600 0.187 0.000 1.369 142 M HN 0.290 nan 8.290 nan 0.000 0.408 143 A N 0.969 123.802 122.820 0.021 0.000 1.908 143 A HA -0.197 4.124 4.320 0.001 0.000 0.218 143 A C 2.484 180.042 177.584 -0.043 0.000 1.181 143 A CA 2.774 54.706 52.037 -0.175 0.000 0.627 143 A CB -1.000 17.777 19.000 -0.370 0.000 0.818 143 A HN 0.631 nan 8.150 nan 0.000 0.445 144 S N -0.448 115.265 115.700 0.021 0.000 2.356 144 S HA -0.005 4.466 4.470 0.001 0.000 0.223 144 S C 2.079 176.685 174.600 0.011 0.000 1.032 144 S CA 1.472 59.683 58.200 0.019 0.000 1.005 144 S CB -1.299 61.918 63.200 0.028 0.000 0.867 144 S HN 0.727 nan 8.310 nan 0.000 0.449 145 G N 2.300 111.115 108.800 0.025 0.000 2.418 145 G HA2 -0.197 3.764 3.960 0.001 0.000 0.217 145 G HA3 -0.197 3.764 3.960 0.001 0.000 0.217 145 G C 1.531 176.449 174.900 0.030 0.000 1.158 145 G CA 0.851 45.966 45.100 0.024 0.000 0.771 145 G HN 0.527 nan 8.290 nan 0.000 0.545 146 N N 0.415 119.139 118.700 0.041 0.000 2.120 146 N HA -0.097 4.644 4.740 0.001 0.000 0.188 146 N C 2.359 177.867 175.510 -0.005 0.000 1.024 146 N CA 1.120 54.202 53.050 0.053 0.000 0.852 146 N CB -0.543 37.971 38.487 0.044 0.000 1.003 146 N HN 0.189 nan 8.380 nan 0.000 0.424 147 V N 1.660 121.576 119.914 0.004 0.000 2.295 147 V HA -0.194 3.927 4.120 0.001 0.000 0.246 147 V C 2.437 178.601 176.094 0.118 0.000 1.049 147 V CA 1.795 64.147 62.300 0.087 0.000 1.024 147 V CB -0.987 30.900 31.823 0.106 0.000 0.648 147 V HN 0.290 nan 8.190 nan 0.000 0.447 148 A N -0.635 122.199 122.820 0.023 0.000 1.908 148 A HA -0.299 4.022 4.320 0.001 0.000 0.218 148 A C 2.281 179.854 177.584 -0.018 0.000 1.181 148 A CA 2.477 54.491 52.037 -0.039 0.000 0.627 148 A CB -0.551 18.401 19.000 -0.079 0.000 0.818 148 A HN 0.514 nan 8.150 nan 0.000 0.445 149 M N -1.042 118.550 119.600 -0.013 0.000 2.117 149 M HA -0.183 4.298 4.480 0.001 0.000 0.262 149 M C 2.329 178.585 176.300 -0.073 0.000 1.065 149 M CA 2.040 57.330 55.300 -0.017 0.000 1.114 149 M CB -0.157 32.453 32.600 0.016 0.000 1.361 149 M HN 0.496 nan 8.290 nan 0.000 0.408 150 R N -0.500 119.901 120.500 -0.165 0.000 2.096 150 R HA -0.151 4.190 4.340 0.001 0.000 0.235 150 R C 1.102 177.043 176.300 -0.599 0.000 1.127 150 R CA 1.832 57.667 56.100 -0.442 0.000 0.968 150 R CB -0.161 29.714 30.300 -0.708 0.000 0.861 150 R HN 0.419 nan 8.270 nan 0.000 0.440 151 F N -0.827 119.131 119.950 0.013 0.000 2.695 151 F HA 0.350 4.878 4.527 0.002 0.000 0.303 151 F C 1.174 177.058 175.800 0.139 0.000 1.091 151 F CA 0.289 58.348 58.000 0.098 0.000 1.300 151 F CB 1.089 40.212 39.000 0.205 0.000 1.071 151 F HN 0.212 nan 8.300 nan 0.000 0.578 152 G N 1.519 110.401 108.800 0.138 0.000 2.272 152 G HA2 -0.113 3.848 3.960 0.001 0.000 0.280 152 G HA3 -0.113 3.848 3.960 0.001 0.000 0.280 152 G C 0.071 175.026 174.900 0.092 0.000 1.067 152 G CA 0.002 45.169 45.100 0.112 0.000 0.902 152 G HN 0.639 nan 8.290 nan 0.000 0.500 153 A N -0.497 122.241 122.820 -0.137 0.000 2.302 153 A HA 0.683 5.004 4.320 0.001 0.000 0.295 153 A C 0.820 178.295 177.584 -0.182 0.000 1.235 153 A CA 0.107 51.870 52.037 -0.456 0.000 0.876 153 A CB 0.259 18.622 19.000 -1.061 0.000 1.133 153 A HN 0.505 nan 8.150 nan 0.000 0.533 154 N N 1.812 120.473 118.700 -0.064 0.000 2.205 154 N HA 0.161 4.902 4.740 0.001 0.000 0.201 154 N C 1.166 176.667 175.510 -0.014 0.000 1.128 154 N CA 0.319 53.357 53.050 -0.020 0.000 0.867 154 N CB 0.714 39.215 38.487 0.024 0.000 0.996 154 N HN 0.704 nan 8.380 nan 0.000 0.503 155 G N 0.377 109.161 108.800 -0.028 0.000 2.735 155 G HA2 0.202 4.162 3.960 0.001 0.000 0.192 155 G HA3 0.202 4.162 3.960 0.001 0.000 0.192 155 G C -0.040 174.844 174.900 -0.026 0.000 1.547 155 G CA -0.409 44.689 45.100 -0.003 0.000 1.080 155 G HN -0.041 nan 8.290 nan 0.000 0.569 156 V N -0.571 119.334 119.914 -0.015 0.000 2.673 156 V HA 0.307 4.428 4.120 0.001 0.000 0.303 156 V C 0.240 176.306 176.094 -0.046 0.000 1.046 156 V CA -0.000 62.285 62.300 -0.025 0.000 1.126 156 V CB 0.576 32.391 31.823 -0.014 0.000 0.934 156 V HN 0.681 nan 8.190 nan 0.000 0.487 157 C N 7.257 126.534 119.300 -0.039 0.000 2.599 157 C HA 0.761 5.222 4.460 0.001 0.000 0.354 157 C C -0.515 174.464 174.990 -0.019 0.000 1.092 157 C CA -0.785 58.210 59.018 -0.038 0.000 1.280 157 C CB 0.438 28.152 27.740 -0.043 0.000 1.829 157 C HN 1.118 nan 8.230 nan 0.000 0.454 158 K N 3.172 123.566 120.400 -0.010 0.000 2.615 158 K HA 0.757 5.078 4.320 0.001 0.000 0.291 158 K C -1.424 175.186 176.600 0.017 0.000 1.017 158 K CA -0.452 55.837 56.287 0.003 0.000 0.882 158 K CB 1.418 33.916 32.500 -0.005 0.000 1.522 158 K HN 0.477 nan 8.250 nan 0.000 0.412 159 S N 0.450 116.167 115.700 0.028 0.000 2.532 159 S HA 0.681 5.152 4.470 0.001 0.000 0.301 159 S C -0.891 173.728 174.600 0.031 0.000 1.083 159 S CA -0.892 57.334 58.200 0.043 0.000 1.025 159 S CB 0.617 63.859 63.200 0.070 0.000 1.056 159 S HN 0.500 nan 8.310 nan 0.000 0.494 160 I N 3.648 124.236 120.570 0.030 0.000 2.509 160 I HA 0.437 4.607 4.170 0.001 0.000 0.293 160 I C -0.634 175.489 176.117 0.010 0.000 1.020 160 I CA -0.759 60.551 61.300 0.015 0.000 1.088 160 I CB 2.035 40.042 38.000 0.012 0.000 1.267 160 I HN 0.513 nan 8.210 nan 0.000 0.430 161 N N 3.810 122.503 118.700 -0.012 0.000 2.531 161 N HA 0.316 5.057 4.740 0.001 0.000 0.268 161 N C -0.512 174.924 175.510 -0.124 0.000 1.023 161 N CA -0.342 52.694 53.050 -0.024 0.000 0.896 161 N CB 1.402 39.892 38.487 0.006 0.000 1.233 161 N HN 0.675 nan 8.380 nan 0.000 0.512 162 T N 1.064 115.508 114.554 -0.182 0.000 3.487 162 T HA 0.598 4.949 4.350 0.001 0.000 0.287 162 T C 0.796 175.389 174.700 -0.179 0.000 1.004 162 T CA 0.238 62.025 62.100 -0.521 0.000 0.977 162 T CB -0.027 68.530 68.868 -0.518 0.000 1.180 162 T HN 0.646 nan 8.240 nan 0.000 0.490 163 A N 1.025 123.851 122.820 0.010 0.000 5.391 163 A HA -0.326 3.995 4.320 0.001 0.000 0.315 163 A C 1.983 179.647 177.584 0.132 0.000 1.874 163 A CA 1.415 53.550 52.037 0.165 0.000 0.714 163 A CB -2.076 17.135 19.000 0.351 0.000 1.335 163 A HN 1.148 nan 8.150 nan 0.000 0.382 164 C N -0.238 119.165 119.300 0.172 0.000 2.422 164 C HA 0.189 4.650 4.460 0.001 0.000 0.286 164 C C 2.678 177.723 174.990 0.091 0.000 1.412 164 C CA 1.266 60.392 59.018 0.180 0.000 1.786 164 C CB -1.571 26.347 27.740 0.295 0.000 1.835 164 C HN 0.689 nan 8.230 nan 0.000 0.533 165 S N 0.773 116.488 115.700 0.024 0.000 2.556 165 S HA 0.006 4.477 4.470 0.001 0.000 0.216 165 S C 1.829 176.435 174.600 0.009 0.000 0.970 165 S CA 0.234 58.427 58.200 -0.012 0.000 0.912 165 S CB -0.136 63.062 63.200 -0.003 0.000 0.790 165 S HN 0.689 nan 8.310 nan 0.000 0.504 166 S N 2.662 118.370 115.700 0.014 0.000 2.380 166 S HA -0.202 4.268 4.470 0.001 0.000 0.229 166 S C 2.198 176.813 174.600 0.026 0.000 1.050 166 S CA 2.077 60.285 58.200 0.014 0.000 1.100 166 S CB -0.585 62.633 63.200 0.031 0.000 0.984 166 S HN 0.802 nan 8.310 nan 0.000 0.434 167 S N 1.355 117.080 115.700 0.041 0.000 2.489 167 S HA 0.077 4.548 4.470 0.001 0.000 0.228 167 S C 1.474 176.086 174.600 0.020 0.000 0.995 167 S CA 0.621 58.844 58.200 0.038 0.000 0.934 167 S CB -0.334 62.900 63.200 0.056 0.000 0.771 167 S HN 0.319 nan 8.310 nan 0.000 0.522 168 N N 2.305 121.018 118.700 0.021 0.000 2.171 168 N HA -0.015 4.726 4.740 0.001 0.000 0.184 168 N C 1.233 176.724 175.510 -0.032 0.000 1.021 168 N CA 1.339 54.395 53.050 0.011 0.000 0.854 168 N CB -0.412 38.090 38.487 0.023 0.000 0.994 168 N HN 0.349 nan 8.380 nan 0.000 0.426 169 D N 0.131 120.545 120.400 0.024 0.000 2.178 169 D HA -0.046 4.595 4.640 0.001 0.000 0.202 169 D C 1.650 177.901 176.300 -0.082 0.000 0.974 169 D CA 0.844 54.865 54.000 0.034 0.000 0.841 169 D CB -0.104 40.762 40.800 0.111 0.000 0.953 169 D HN 0.264 nan 8.370 nan 0.000 0.478 170 A N 0.956 123.749 122.820 -0.045 0.000 1.877 170 A HA -0.135 4.186 4.320 0.001 0.000 0.216 170 A C 2.358 179.898 177.584 -0.073 0.000 1.186 170 A CA 0.866 52.881 52.037 -0.037 0.000 0.620 170 A CB -0.679 18.322 19.000 0.001 0.000 0.822 170 A HN 0.157 nan 8.150 nan 0.000 0.443 171 I N -0.289 120.230 120.570 -0.086 0.000 2.226 171 I HA -0.187 3.984 4.170 0.001 0.000 0.245 171 I C 2.724 178.732 176.117 -0.182 0.000 1.100 171 I CA 1.093 62.346 61.300 -0.079 0.000 1.374 171 I CB -0.644 37.338 38.000 -0.031 0.000 1.057 171 I HN 0.396 nan 8.210 nan 0.000 0.413 172 G N 0.283 108.779 108.800 -0.506 0.000 2.446 172 G HA2 -0.347 3.614 3.960 0.001 0.000 0.217 172 G HA3 -0.347 3.614 3.960 0.001 0.000 0.217 172 G C 1.279 175.894 174.900 -0.475 0.000 1.168 172 G CA 1.390 45.837 45.100 -1.088 0.000 0.771 172 G HN 0.325 nan 8.290 nan 0.000 0.551 173 D N 0.425 120.645 120.400 -0.300 0.000 2.117 173 D HA 0.024 4.665 4.640 0.001 0.000 0.197 173 D C 2.765 179.067 176.300 0.004 0.000 0.987 173 D CA 1.409 55.380 54.000 -0.049 0.000 0.829 173 D CB -0.285 40.505 40.800 -0.018 0.000 0.961 173 D HN 0.257 nan 8.370 nan 0.000 0.460 174 A N -0.181 122.644 122.820 0.008 0.000 1.877 174 A HA -0.133 4.188 4.320 0.001 0.000 0.216 174 A C 2.130 179.774 177.584 0.100 0.000 1.186 174 A CA 1.410 53.477 52.037 0.050 0.000 0.620 174 A CB -1.186 17.842 19.000 0.047 0.000 0.822 174 A HN 0.424 nan 8.150 nan 0.000 0.443 175 F N 0.974 120.904 119.950 -0.033 0.000 2.065 175 F HA -0.236 4.292 4.527 0.001 0.000 0.298 175 F C 2.338 178.191 175.800 0.089 0.000 1.112 175 F CA 2.156 60.157 58.000 0.001 0.000 1.212 175 F CB -0.352 38.615 39.000 -0.056 0.000 0.975 175 F HN 0.064 nan 8.300 nan 0.000 0.476 176 R N 0.552 120.911 120.500 -0.234 0.000 2.091 176 R HA -0.124 4.217 4.340 0.001 0.000 0.238 176 R C 2.463 178.828 176.300 0.109 0.000 1.136 176 R CA 1.435 57.450 56.100 -0.141 0.000 0.959 176 R CB -1.333 29.006 30.300 0.064 0.000 0.856 176 R HN 0.357 nan 8.270 nan 0.000 0.437 177 S N 1.042 116.805 115.700 0.106 0.000 2.356 177 S HA -0.079 4.392 4.470 0.001 0.000 0.223 177 S C 2.087 176.808 174.600 0.202 0.000 1.032 177 S CA 1.116 59.445 58.200 0.215 0.000 1.005 177 S CB -0.152 63.127 63.200 0.132 0.000 0.867 177 S HN 0.215 nan 8.310 nan 0.000 0.449 178 I N 1.290 121.907 120.570 0.079 0.000 2.233 178 I HA -0.162 4.009 4.170 0.001 0.000 0.243 178 I C 2.444 178.537 176.117 -0.040 0.000 1.093 178 I CA 1.113 62.429 61.300 0.028 0.000 1.380 178 I CB -0.278 37.736 38.000 0.025 0.000 1.067 178 I HN 0.222 nan 8.210 nan 0.000 0.413 179 K N 1.287 121.604 120.400 -0.137 0.000 2.074 179 K HA -0.197 4.124 4.320 0.001 0.000 0.209 179 K C 1.570 177.944 176.600 -0.377 0.000 1.048 179 K CA 1.927 58.030 56.287 -0.306 0.000 0.926 179 K CB -0.191 31.957 32.500 -0.586 0.000 0.713 179 K HN 0.169 nan 8.250 nan 0.000 0.444 180 F N 0.125 120.011 119.950 -0.108 0.000 2.692 180 F HA 0.258 4.786 4.527 0.001 0.000 0.303 180 F C 1.250 176.850 175.800 -0.332 0.000 1.114 180 F CA 0.532 58.457 58.000 -0.125 0.000 1.361 180 F CB 0.724 39.742 39.000 0.029 0.000 1.063 180 F HN 0.327 nan 8.300 nan 0.000 0.550 181 G N -0.333 108.376 108.800 -0.153 0.000 2.147 181 G HA2 -0.351 3.610 3.960 0.001 0.000 0.244 181 G HA3 -0.351 3.610 3.960 0.001 0.000 0.244 181 G C 0.787 175.507 174.900 -0.300 0.000 1.005 181 G CA 0.250 45.213 45.100 -0.228 0.000 0.713 181 G HN 0.435 nan 8.290 nan 0.000 0.515 182 F N -0.043 119.934 119.950 0.045 0.000 2.473 182 F HA 0.287 4.814 4.527 0.001 0.000 0.294 182 F C 1.619 177.431 175.800 0.020 0.000 1.103 182 F CA 1.013 59.032 58.000 0.032 0.000 1.442 182 F CB 0.314 39.332 39.000 0.031 0.000 1.097 182 F HN 0.156 nan 8.300 nan 0.000 0.547 183 Q N -0.407 119.487 119.800 0.156 0.000 2.456 183 Q HA 0.194 4.534 4.340 0.001 0.000 0.284 183 Q C -0.491 175.522 176.000 0.022 0.000 1.061 183 Q CA -0.334 55.522 55.803 0.089 0.000 0.799 183 Q CB 2.082 30.877 28.738 0.095 0.000 1.445 183 Q HN 0.010 nan 8.270 nan 0.000 0.411 184 D N -0.473 119.909 120.400 -0.031 0.000 2.422 184 D HA 0.165 4.806 4.640 0.001 0.000 0.218 184 D C 0.095 176.229 176.300 -0.276 0.000 1.047 184 D CA 0.659 54.575 54.000 -0.140 0.000 0.885 184 D CB 1.439 42.141 40.800 -0.163 0.000 1.035 184 D HN 0.116 nan 8.370 nan 0.000 0.502 185 V N 1.872 121.664 119.914 -0.205 0.000 2.760 185 V HA 0.453 4.574 4.120 0.001 0.000 0.309 185 V C -0.639 175.505 176.094 0.084 0.000 1.077 185 V CA -0.614 61.583 62.300 -0.172 0.000 0.910 185 V CB 2.698 34.301 31.823 -0.367 0.000 1.008 185 V HN -0.048 nan 8.190 nan 0.000 0.424 186 M N 4.795 124.442 119.600 0.078 0.000 2.386 186 M HA 0.529 5.009 4.480 0.001 0.000 0.293 186 M C -1.263 175.093 176.300 0.093 0.000 1.120 186 M CA -0.368 55.001 55.300 0.115 0.000 0.909 186 M CB 2.332 34.968 32.600 0.060 0.000 1.661 186 M HN 0.441 nan 8.290 nan 0.000 0.452 187 L N 2.993 124.272 121.223 0.093 0.000 2.257 187 L HA 0.665 5.005 4.340 0.001 0.000 0.290 187 L C -0.662 176.214 176.870 0.010 0.000 1.044 187 L CA -0.581 54.274 54.840 0.026 0.000 0.810 187 L CB 1.318 43.363 42.059 -0.023 0.000 1.193 187 L HN 0.522 nan 8.230 nan 0.000 0.425 188 V N 4.088 124.013 119.914 0.018 0.000 2.925 188 V HA 1.014 5.135 4.120 0.001 0.000 0.311 188 V C -0.206 175.907 176.094 0.032 0.000 1.104 188 V CA 0.443 62.757 62.300 0.023 0.000 0.954 188 V CB 1.894 33.732 31.823 0.025 0.000 1.022 188 V HN 0.855 nan 8.190 nan 0.000 0.427 189 G N 3.323 112.145 108.800 0.036 0.000 2.441 189 G HA2 0.645 4.605 3.960 0.001 0.000 0.225 189 G HA3 0.645 4.605 3.960 0.001 0.000 0.225 189 G C -0.290 174.645 174.900 0.059 0.000 1.200 189 G CA 0.175 45.303 45.100 0.047 0.000 0.947 189 G HN 1.706 nan 8.290 nan 0.000 0.484 190 G N -1.758 107.088 108.800 0.077 0.000 2.692 190 G HA2 0.752 4.713 3.960 0.001 0.000 0.291 190 G HA3 0.752 4.713 3.960 0.001 0.000 0.291 190 G C -1.429 173.551 174.900 0.133 0.000 1.423 190 G CA 0.591 45.752 45.100 0.101 0.000 0.843 190 G HN 1.339 nan 8.290 nan 0.000 0.486 191 T N -0.865 113.794 114.554 0.176 0.000 2.932 191 T HA 0.645 4.996 4.350 0.001 0.000 0.318 191 T C -1.866 173.010 174.700 0.293 0.000 1.265 191 T CA -0.397 61.844 62.100 0.235 0.000 1.036 191 T CB 2.191 71.183 68.868 0.207 0.000 1.209 191 T HN 0.676 nan 8.240 nan 0.000 0.484 192 E N 1.314 121.702 120.200 0.315 0.000 2.352 192 E HA 0.715 5.066 4.350 0.001 0.000 0.280 192 E C -1.465 175.339 176.600 0.339 0.000 0.930 192 E CA -0.489 56.078 56.400 0.278 0.000 0.765 192 E CB 1.963 31.770 29.700 0.178 0.000 1.219 192 E HN 0.803 nan 8.360 nan 0.000 0.434 193 A N 2.511 125.493 122.820 0.270 0.000 3.266 193 A HA 0.401 4.722 4.320 0.001 0.000 0.310 193 A C -0.276 177.416 177.584 0.181 0.000 1.066 193 A CA -0.055 52.140 52.037 0.262 0.000 0.839 193 A CB -0.048 19.012 19.000 0.100 0.000 1.192 193 A HN 0.521 nan 8.150 nan 0.000 0.496 194 S N -0.070 115.745 115.700 0.191 0.000 2.651 194 S HA 0.315 4.786 4.470 0.001 0.000 0.246 194 S C 0.129 174.848 174.600 0.199 0.000 1.039 194 S CA -0.097 58.212 58.200 0.183 0.000 1.013 194 S CB -0.678 62.646 63.200 0.206 0.000 0.861 194 S HN 0.481 nan 8.310 nan 0.000 0.485 195 I N 3.919 124.613 120.570 0.206 0.000 2.213 195 I HA 0.218 4.389 4.170 0.001 0.000 0.295 195 I C 0.521 176.812 176.117 0.289 0.000 1.172 195 I CA 0.020 61.469 61.300 0.249 0.000 1.443 195 I CB -0.412 37.715 38.000 0.212 0.000 1.491 195 I HN 0.378 nan 8.210 nan 0.000 0.652 196 T N 1.022 115.673 114.554 0.161 0.000 2.901 196 T HA 0.450 4.801 4.350 0.001 0.000 0.293 196 T C -2.294 172.073 174.700 -0.554 0.000 1.084 196 T CA -2.006 60.038 62.100 -0.094 0.000 1.008 196 T CB 2.344 71.220 68.868 0.013 0.000 1.170 196 T HN -0.097 nan 8.240 nan 0.000 0.509 197 P HA -0.044 nan 4.420 nan 0.000 0.214 197 P C 1.258 178.488 177.300 -0.116 0.000 1.163 197 P CA 0.828 63.438 63.100 -0.817 0.000 0.889 197 P CB -0.136 31.314 31.700 -0.417 0.000 0.790 198 F N 0.592 120.453 119.950 -0.148 0.000 2.102 198 F HA -0.170 4.358 4.527 0.001 0.000 0.298 198 F C 2.148 177.930 175.800 -0.031 0.000 1.105 198 F CA 1.781 59.741 58.000 -0.066 0.000 1.239 198 F CB -1.009 37.948 39.000 -0.073 0.000 0.991 198 F HN -0.147 nan 8.300 nan 0.000 0.474 199 A N 0.731 123.450 122.820 -0.168 0.000 1.930 199 A HA -0.081 4.240 4.320 0.001 0.000 0.217 199 A C 2.253 179.822 177.584 -0.025 0.000 1.175 199 A CA 1.568 53.487 52.037 -0.196 0.000 0.627 199 A CB -0.959 18.105 19.000 0.107 0.000 0.815 199 A HN 0.425 nan 8.150 nan 0.000 0.443 200 I N 0.024 120.641 120.570 0.077 0.000 2.179 200 I HA -0.236 3.935 4.170 0.001 0.000 0.242 200 I C 2.957 179.186 176.117 0.187 0.000 1.088 200 I CA 1.498 62.919 61.300 0.201 0.000 1.357 200 I CB -1.499 36.666 38.000 0.275 0.000 1.051 200 I HN 0.370 nan 8.210 nan 0.000 0.409 201 A N 1.004 123.926 122.820 0.171 0.000 1.902 201 A HA -0.118 4.203 4.320 0.001 0.000 0.217 201 A C 2.496 179.965 177.584 -0.191 0.000 1.181 201 A CA 1.910 53.944 52.037 -0.005 0.000 0.623 201 A CB -1.305 17.646 19.000 -0.081 0.000 0.818 201 A HN 0.438 nan 8.150 nan 0.000 0.443 202 G N -1.353 107.204 108.800 -0.405 0.000 2.421 202 G HA2 -0.172 3.789 3.960 0.001 0.000 0.216 202 G HA3 -0.172 3.789 3.960 0.001 0.000 0.216 202 G C 1.420 176.095 174.900 -0.376 0.000 1.171 202 G CA 1.060 45.839 45.100 -0.534 0.000 0.775 202 G HN 0.476 nan 8.290 nan 0.000 0.543 203 F N 0.477 120.310 119.950 -0.195 0.000 2.259 203 F HA 0.031 4.559 4.527 0.001 0.000 0.298 203 F C 2.916 178.617 175.800 -0.163 0.000 1.088 203 F CA 1.294 59.198 58.000 -0.160 0.000 1.358 203 F CB 0.037 38.961 39.000 -0.126 0.000 1.040 203 F HN 0.164 nan 8.300 nan 0.000 0.505 204 Q N 0.595 120.417 119.800 0.036 0.000 2.079 204 Q HA -0.187 4.154 4.340 0.001 0.000 0.200 204 Q C 2.344 178.315 176.000 -0.047 0.000 0.974 204 Q CA 1.440 57.236 55.803 -0.012 0.000 0.840 204 Q CB -0.200 28.546 28.738 0.015 0.000 0.898 204 Q HN 0.379 nan 8.270 nan 0.000 0.430 205 A N 0.738 123.507 122.820 -0.084 0.000 1.972 205 A HA -0.157 4.164 4.320 0.001 0.000 0.219 205 A C 1.920 179.464 177.584 -0.068 0.000 1.169 205 A CA 1.150 53.132 52.037 -0.091 0.000 0.635 205 A CB -0.573 18.353 19.000 -0.122 0.000 0.810 205 A HN 0.482 nan 8.150 nan 0.000 0.446 206 L N -1.202 119.980 121.223 -0.068 0.000 2.376 206 L HA 0.039 4.380 4.340 0.001 0.000 0.219 206 L C 1.063 177.936 176.870 0.005 0.000 1.133 206 L CA 2.125 56.941 54.840 -0.040 0.000 0.816 206 L CB -0.590 41.435 42.059 -0.055 0.000 0.933 206 L HN 0.455 nan 8.230 nan 0.000 0.449 207 T N -1.956 112.597 114.554 -0.001 0.000 5.043 207 T HA -0.228 4.123 4.350 0.001 0.000 0.285 207 T C 0.987 175.702 174.700 0.024 0.000 1.739 207 T CA 0.748 62.850 62.100 0.004 0.000 3.014 207 T CB -1.611 67.261 68.868 0.008 0.000 1.463 207 T HN 0.649 nan 8.240 nan 0.000 1.007 208 A N -0.301 122.544 122.820 0.041 0.000 2.178 208 A HA 0.523 4.844 4.320 0.001 0.000 0.211 208 A C 0.857 178.335 177.584 -0.178 0.000 1.157 208 A CA 0.409 52.495 52.037 0.081 0.000 0.780 208 A CB 0.163 19.347 19.000 0.307 0.000 0.828 208 A HN 0.631 nan 8.150 nan 0.000 0.476 209 L N -0.082 120.968 121.223 -0.288 0.000 2.343 209 L HA 0.344 4.685 4.340 0.001 0.000 0.275 209 L C 0.715 177.470 176.870 -0.192 0.000 1.056 209 L CA -0.583 53.997 54.840 -0.434 0.000 0.804 209 L CB 1.602 43.430 42.059 -0.384 0.000 1.203 209 L HN 0.152 nan 8.230 nan 0.000 0.440 210 S N 0.017 115.621 115.700 -0.159 0.000 2.549 210 S HA 0.083 4.554 4.470 0.001 0.000 0.283 210 S C 0.885 175.446 174.600 -0.066 0.000 1.320 210 S CA -0.256 57.900 58.200 -0.074 0.000 1.058 210 S CB 0.539 63.712 63.200 -0.045 0.000 0.882 210 S HN 0.754 nan 8.310 nan 0.000 0.498 211 T N 1.166 115.699 114.554 -0.035 0.000 3.134 211 T HA 0.195 4.545 4.350 0.001 0.000 0.260 211 T C 0.418 175.130 174.700 0.020 0.000 1.027 211 T CA -0.377 61.714 62.100 -0.016 0.000 0.913 211 T CB -0.363 68.502 68.868 -0.005 0.000 1.046 211 T HN 0.521 nan 8.240 nan 0.000 0.553 212 T N 3.538 118.097 114.554 0.009 0.000 2.784 212 T HA 0.053 4.404 4.350 0.001 0.000 0.291 212 T C 1.310 176.032 174.700 0.037 0.000 0.942 212 T CA -0.125 61.986 62.100 0.018 0.000 1.161 212 T CB 0.963 69.832 68.868 0.000 0.000 0.885 212 T HN 0.375 nan 8.240 nan 0.000 0.534 213 E N 2.792 123.028 120.200 0.060 0.000 2.110 213 E HA -0.178 4.173 4.350 0.001 0.000 0.193 213 E C 0.596 177.216 176.600 0.034 0.000 0.988 213 E CA 0.795 57.240 56.400 0.076 0.000 0.804 213 E CB 0.132 29.876 29.700 0.073 0.000 0.745 213 E HN 0.590 nan 8.360 nan 0.000 0.458 214 D N 1.443 121.851 120.400 0.014 0.000 2.344 214 D HA 0.014 4.655 4.640 0.001 0.000 0.253 214 D C -1.628 174.666 176.300 -0.010 0.000 1.255 214 D CA -2.110 51.889 54.000 -0.002 0.000 0.894 214 D CB 1.322 42.118 40.800 -0.007 0.000 1.067 214 D HN 0.033 nan 8.370 nan 0.000 0.492 215 P HA -0.141 nan 4.420 nan 0.000 0.223 215 P C 0.955 178.233 177.300 -0.037 0.000 1.144 215 P CA 1.087 64.172 63.100 -0.025 0.000 0.783 215 P CB -0.049 31.636 31.700 -0.027 0.000 0.771 216 T N -4.316 110.215 114.554 -0.038 0.000 3.081 216 T HA 0.154 4.504 4.350 0.001 0.000 0.255 216 T C 1.623 176.291 174.700 -0.054 0.000 1.113 216 T CA 0.183 62.251 62.100 -0.053 0.000 1.082 216 T CB -0.177 68.663 68.868 -0.047 0.000 0.939 216 T HN 0.040 nan 8.240 nan 0.000 0.506 217 R N -0.115 120.361 120.500 -0.039 0.000 2.508 217 R HA 0.526 4.867 4.340 0.001 0.000 0.300 217 R C 1.886 178.167 176.300 -0.032 0.000 0.970 217 R CA 0.515 56.593 56.100 -0.037 0.000 1.102 217 R CB 0.359 30.643 30.300 -0.027 0.000 1.246 217 R HN 0.450 nan 8.270 nan 0.000 0.539 218 A N 0.653 123.454 122.820 -0.031 0.000 1.903 218 A HA 0.033 4.354 4.320 0.001 0.000 0.213 218 A C 1.233 178.804 177.584 -0.021 0.000 1.185 218 A CA 0.840 52.863 52.037 -0.024 0.000 0.628 218 A CB 0.187 19.174 19.000 -0.022 0.000 0.830 218 A HN 0.095 nan 8.150 nan 0.000 0.446 219 S N 0.685 116.369 115.700 -0.026 0.000 2.512 219 S HA 0.543 5.014 4.470 0.001 0.000 0.291 219 S C -0.336 174.240 174.600 -0.040 0.000 1.151 219 S CA -0.609 57.581 58.200 -0.018 0.000 1.120 219 S CB -0.577 62.620 63.200 -0.005 0.000 1.029 219 S HN 0.493 nan 8.310 nan 0.000 0.485 220 I N 2.039 122.586 120.570 -0.039 0.000 2.862 220 I HA 0.494 4.664 4.170 0.001 0.000 0.285 220 I C -2.965 173.131 176.117 -0.036 0.000 1.339 220 I CA -2.665 58.610 61.300 -0.042 0.000 1.002 220 I CB 1.081 39.049 38.000 -0.053 0.000 1.618 220 I HN 0.204 nan 8.210 nan 0.000 0.593 221 P HA 0.161 nan 4.420 nan 0.000 0.265 221 P C -0.078 177.258 177.300 0.060 0.000 1.193 221 P CA 0.568 63.608 63.100 -0.099 0.000 0.765 221 P CB 0.089 31.748 31.700 -0.068 0.000 0.823 222 F N -1.785 118.137 119.950 -0.048 0.000 2.705 222 F HA -0.261 4.267 4.527 0.002 0.000 0.413 222 F C 0.921 176.635 175.800 -0.144 0.000 0.588 222 F CA 0.948 58.902 58.000 -0.077 0.000 1.187 222 F CB -1.520 37.442 39.000 -0.063 0.000 1.737 222 F HN 0.322 nan 8.300 nan 0.000 0.285 223 D N 2.160 122.555 120.400 -0.008 0.000 2.382 223 D HA 0.081 4.722 4.640 0.001 0.000 0.245 223 D C 1.279 177.530 176.300 -0.081 0.000 1.120 223 D CA 0.536 54.482 54.000 -0.090 0.000 0.890 223 D CB 0.999 41.742 40.800 -0.096 0.000 1.201 223 D HN 0.503 nan 8.370 nan 0.000 0.433 224 K N 2.311 122.649 120.400 -0.103 0.000 2.280 224 K HA -0.156 4.165 4.320 0.001 0.000 0.202 224 K C 0.408 176.986 176.600 -0.037 0.000 1.047 224 K CA 1.141 57.380 56.287 -0.079 0.000 0.942 224 K CB 0.227 32.678 32.500 -0.082 0.000 0.739 224 K HN 0.202 nan 8.250 nan 0.000 0.457 225 D N 1.633 122.009 120.400 -0.041 0.000 2.339 225 D HA -0.009 4.632 4.640 0.001 0.000 0.217 225 D C 0.055 176.344 176.300 -0.019 0.000 1.050 225 D CA 0.046 54.032 54.000 -0.024 0.000 0.856 225 D CB 0.068 40.851 40.800 -0.028 0.000 0.922 225 D HN 0.347 nan 8.370 nan 0.000 0.518 226 R N 1.383 121.869 120.500 -0.023 0.000 2.640 226 R HA 0.033 4.373 4.340 0.001 0.000 0.270 226 R C 0.038 176.337 176.300 -0.003 0.000 1.024 226 R CA 0.392 56.480 56.100 -0.019 0.000 1.085 226 R CB -0.338 29.942 30.300 -0.033 0.000 0.963 226 R HN 0.066 nan 8.270 nan 0.000 0.426 227 N N 0.757 119.457 118.700 -0.001 0.000 2.545 227 N HA 0.273 5.014 4.740 0.001 0.000 0.283 227 N C -0.511 175.002 175.510 0.006 0.000 1.596 227 N CA -0.355 52.699 53.050 0.007 0.000 0.862 227 N CB 1.353 39.841 38.487 0.002 0.000 1.422 227 N HN 0.961 nan 8.380 nan 0.000 0.489 228 G N 0.666 109.478 108.800 0.021 0.000 2.357 228 G HA2 0.065 4.025 3.960 0.001 0.000 0.643 228 G HA3 0.065 4.025 3.960 0.001 0.000 0.643 228 G C -0.819 174.115 174.900 0.057 0.000 1.358 228 G CA -0.868 44.251 45.100 0.032 0.000 0.986 228 G HN 0.337 nan 8.290 nan 0.000 0.620 229 F N -0.516 119.441 119.950 0.011 0.000 2.368 229 F HA 0.840 5.368 4.527 0.001 0.000 0.315 229 F C 0.167 175.963 175.800 -0.007 0.000 1.145 229 F CA -1.356 56.638 58.000 -0.011 0.000 1.095 229 F CB 1.293 40.297 39.000 0.007 0.000 1.286 229 F HN 0.420 nan 8.300 nan 0.000 0.530 230 V N 3.864 123.945 119.914 0.279 0.000 2.448 230 V HA 0.251 4.372 4.120 0.001 0.000 0.295 230 V C 0.074 176.360 176.094 0.319 0.000 1.025 230 V CA -0.876 61.505 62.300 0.136 0.000 0.859 230 V CB 1.418 33.286 31.823 0.074 0.000 0.988 230 V HN 0.968 nan 8.190 nan 0.000 0.431 231 M N 3.808 123.537 119.600 0.216 0.000 2.217 231 M HA 0.545 5.026 4.480 0.001 0.000 0.354 231 M C 0.490 176.893 176.300 0.172 0.000 1.225 231 M CA 0.294 55.759 55.300 0.275 0.000 1.137 231 M CB 0.732 33.455 32.600 0.205 0.000 1.576 231 M HN 0.830 nan 8.290 nan 0.000 0.461 232 G N 3.320 112.214 108.800 0.157 0.000 2.932 232 G HA2 0.718 4.679 3.960 0.001 0.000 0.283 232 G HA3 0.718 4.679 3.960 0.001 0.000 0.283 232 G C -1.717 173.253 174.900 0.118 0.000 1.336 232 G CA -0.630 44.544 45.100 0.124 0.000 1.056 232 G HN 0.803 nan 8.290 nan 0.000 0.522 233 E N -2.166 118.095 120.200 0.100 0.000 2.430 233 E HA 0.720 5.071 4.350 0.001 0.000 0.279 233 E C -0.208 176.394 176.600 0.003 0.000 1.003 233 E CA -0.667 55.802 56.400 0.114 0.000 0.801 233 E CB 1.940 31.747 29.700 0.179 0.000 1.313 233 E HN 1.732 nan 8.360 nan 0.000 0.459 234 G N 0.080 108.874 108.800 -0.010 0.000 2.325 234 G HA2 0.328 4.289 3.960 0.001 0.000 0.285 234 G HA3 0.328 4.289 3.960 0.001 0.000 0.285 234 G C -1.286 173.666 174.900 0.086 0.000 1.303 234 G CA -0.278 44.717 45.100 -0.176 0.000 0.970 234 G HN 0.910 nan 8.290 nan 0.000 0.490 235 S N -1.579 114.174 115.700 0.089 0.000 2.550 235 S HA 0.835 5.306 4.470 0.001 0.000 0.270 235 S C -0.233 174.428 174.600 0.101 0.000 1.145 235 S CA 0.674 58.964 58.200 0.149 0.000 0.852 235 S CB 1.492 64.831 63.200 0.233 0.000 1.119 235 S HN 2.289 nan 8.310 nan 0.000 0.465 236 G N 2.786 111.631 108.800 0.075 0.000 2.566 236 G HA2 0.675 4.636 3.960 0.001 0.000 0.311 236 G HA3 0.675 4.636 3.960 0.001 0.000 0.311 236 G C -1.307 173.626 174.900 0.054 0.000 1.322 236 G CA -0.492 44.624 45.100 0.027 0.000 0.969 236 G HN 0.524 nan 8.290 nan 0.000 0.490 237 M N 1.410 121.046 119.600 0.059 0.000 2.386 237 M HA 0.530 5.011 4.480 0.001 0.000 0.293 237 M C -1.438 174.905 176.300 0.072 0.000 1.120 237 M CA -0.726 54.607 55.300 0.055 0.000 0.909 237 M CB 1.936 34.563 32.600 0.044 0.000 1.661 237 M HN 0.267 nan 8.290 nan 0.000 0.452 238 L N 1.998 123.256 121.223 0.059 0.000 2.323 238 L HA 0.738 5.079 4.340 0.001 0.000 0.265 238 L C -0.447 176.437 176.870 0.024 0.000 1.012 238 L CA -0.748 54.140 54.840 0.081 0.000 0.820 238 L CB 2.079 44.187 42.059 0.081 0.000 1.334 238 L HN 0.411 nan 8.230 nan 0.000 0.427 239 V N 3.501 123.413 119.914 -0.004 0.000 2.328 239 V HA 0.454 4.575 4.120 0.001 0.000 0.278 239 V C -0.116 175.959 176.094 -0.032 0.000 1.021 239 V CA -0.505 61.767 62.300 -0.047 0.000 0.838 239 V CB 1.216 32.969 31.823 -0.117 0.000 0.999 239 V HN 0.435 nan 8.190 nan 0.000 0.447 240 L N 5.128 126.347 121.223 -0.008 0.000 2.325 240 L HA 0.712 5.052 4.340 0.001 0.000 0.278 240 L C -0.095 176.758 176.870 -0.028 0.000 1.023 240 L CA -0.435 54.408 54.840 0.005 0.000 0.811 240 L CB 1.933 44.024 42.059 0.054 0.000 1.249 240 L HN 0.628 nan 8.230 nan 0.000 0.431 241 E N 0.650 120.829 120.200 -0.034 0.000 2.383 241 E HA 0.285 4.636 4.350 0.001 0.000 0.275 241 E C -1.067 175.523 176.600 -0.016 0.000 0.918 241 E CA -0.733 55.633 56.400 -0.058 0.000 0.764 241 E CB 2.376 32.054 29.700 -0.035 0.000 1.252 241 E HN 0.648 nan 8.360 nan 0.000 0.449 242 S N 1.065 116.760 115.700 -0.007 0.000 2.579 242 S HA 0.009 4.480 4.470 0.001 0.000 0.275 242 S C 1.038 175.654 174.600 0.027 0.000 1.345 242 S CA -0.578 57.633 58.200 0.019 0.000 1.031 242 S CB 0.769 63.981 63.200 0.020 0.000 0.892 242 S HN 0.590 nan 8.310 nan 0.000 0.529 243 L N 1.579 122.814 121.223 0.020 0.000 2.043 243 L HA -0.123 4.218 4.340 0.001 0.000 0.212 243 L C 2.561 179.440 176.870 0.016 0.000 1.075 243 L CA 2.492 57.336 54.840 0.008 0.000 0.752 243 L CB -1.297 40.794 42.059 0.054 0.000 0.891 243 L HN 1.046 nan 8.230 nan 0.000 0.432 244 E N -1.814 118.404 120.200 0.030 0.000 2.077 244 E HA -0.313 4.038 4.350 0.001 0.000 0.193 244 E C 2.254 178.864 176.600 0.018 0.000 0.989 244 E CA 1.254 57.667 56.400 0.022 0.000 0.800 244 E CB -0.450 29.261 29.700 0.018 0.000 0.746 244 E HN 0.729 nan 8.360 nan 0.000 0.452 245 H N 0.088 119.131 119.070 -0.046 0.000 2.326 245 H HA -0.057 4.500 4.556 0.001 0.000 0.301 245 H C 1.914 177.196 175.328 -0.076 0.000 1.081 245 H CA 1.776 57.789 56.048 -0.058 0.000 1.334 245 H CB -0.016 29.711 29.762 -0.059 0.000 1.385 245 H HN 0.323 nan 8.280 nan 0.000 0.504 246 A N 1.171 124.010 122.820 0.032 0.000 1.877 246 A HA -0.166 4.155 4.320 0.001 0.000 0.216 246 A C 2.386 179.910 177.584 -0.099 0.000 1.186 246 A CA 1.651 53.655 52.037 -0.054 0.000 0.620 246 A CB -0.493 18.445 19.000 -0.103 0.000 0.822 246 A HN 0.581 nan 8.150 nan 0.000 0.443 247 E N -0.518 119.640 120.200 -0.071 0.000 2.051 247 E HA -0.239 4.112 4.350 0.001 0.000 0.192 247 E C 2.104 178.662 176.600 -0.070 0.000 0.991 247 E CA 1.499 57.870 56.400 -0.049 0.000 0.799 247 E CB -0.184 29.513 29.700 -0.005 0.000 0.748 247 E HN 0.667 nan 8.360 nan 0.000 0.449 248 K N 1.571 121.915 120.400 -0.094 0.000 2.160 248 K HA -0.195 4.126 4.320 0.001 0.000 0.206 248 K C 2.052 178.568 176.600 -0.139 0.000 1.047 248 K CA 1.653 57.872 56.287 -0.114 0.000 0.930 248 K CB -0.030 32.389 32.500 -0.135 0.000 0.720 248 K HN 0.018 nan 8.250 nan 0.000 0.450 249 R N -0.753 119.638 120.500 -0.181 0.000 2.334 249 R HA 0.146 4.486 4.340 0.001 0.000 0.216 249 R C 0.524 176.755 176.300 -0.115 0.000 0.905 249 R CA 0.624 56.623 56.100 -0.167 0.000 1.064 249 R CB 0.014 30.176 30.300 -0.230 0.000 1.046 249 R HN 0.213 nan 8.270 nan 0.000 0.508 250 G N 0.888 109.631 108.800 -0.095 0.000 2.246 250 G HA2 -0.325 3.636 3.960 0.001 0.000 0.273 250 G HA3 -0.325 3.636 3.960 0.001 0.000 0.273 250 G C 0.262 175.113 174.900 -0.081 0.000 1.055 250 G CA 0.231 45.288 45.100 -0.071 0.000 0.851 250 G HN 0.713 nan 8.290 nan 0.000 0.500 251 A N -0.479 122.278 122.820 -0.104 0.000 2.366 251 A HA 0.701 5.022 4.320 0.001 0.000 0.249 251 A C 0.842 178.344 177.584 -0.136 0.000 1.084 251 A CA 0.888 52.850 52.037 -0.124 0.000 0.794 251 A CB 0.502 19.418 19.000 -0.140 0.000 1.034 251 A HN 0.802 nan 8.150 nan 0.000 0.491 252 T N 2.362 116.825 114.554 -0.152 0.000 2.733 252 T HA 0.425 4.776 4.350 0.001 0.000 0.294 252 T C 0.086 174.634 174.700 -0.254 0.000 0.956 252 T CA 0.256 62.265 62.100 -0.152 0.000 0.987 252 T CB -0.228 68.572 68.868 -0.113 0.000 0.920 252 T HN 0.390 nan 8.240 nan 0.000 0.470 253 I N 4.311 124.658 120.570 -0.372 0.000 2.441 253 I HA 0.179 4.350 4.170 0.001 0.000 0.287 253 I C 1.181 177.030 176.117 -0.446 0.000 1.049 253 I CA -0.247 60.665 61.300 -0.648 0.000 1.381 253 I CB 1.065 38.213 38.000 -1.420 0.000 1.409 253 I HN 0.581 nan 8.210 nan 0.000 0.523 254 L N 5.682 126.732 121.223 -0.288 0.000 2.470 254 L HA 0.501 4.842 4.340 0.001 0.000 0.219 254 L C 0.772 177.664 176.870 0.036 0.000 1.071 254 L CA 0.129 54.926 54.840 -0.073 0.000 0.850 254 L CB -0.132 41.921 42.059 -0.010 0.000 1.040 254 L HN 0.777 nan 8.230 nan 0.000 0.475 255 A N -0.160 122.659 122.820 -0.002 0.000 2.490 255 A HA 0.530 4.851 4.320 0.001 0.000 0.292 255 A C -1.661 175.986 177.584 0.105 0.000 1.047 255 A CA -0.512 51.597 52.037 0.120 0.000 0.632 255 A CB 1.427 20.477 19.000 0.083 0.000 1.323 255 A HN 0.005 nan 8.150 nan 0.000 0.448 256 E N 0.068 120.395 120.200 0.211 0.000 2.266 256 E HA 0.626 4.977 4.350 0.001 0.000 0.268 256 E C -1.594 175.115 176.600 0.182 0.000 0.879 256 E CA -0.653 55.861 56.400 0.190 0.000 0.762 256 E CB 2.139 32.007 29.700 0.281 0.000 1.199 256 E HN 0.531 nan 8.360 nan 0.000 0.422 257 V N 4.649 124.606 119.914 0.071 0.000 2.407 257 V HA 0.144 4.265 4.120 0.001 0.000 0.278 257 V C 0.920 176.830 176.094 -0.308 0.000 1.037 257 V CA -0.243 61.926 62.300 -0.218 0.000 0.900 257 V CB 1.102 32.705 31.823 -0.367 0.000 0.983 257 V HN 0.699 nan 8.190 nan 0.000 0.459 258 V N 1.460 121.163 119.914 -0.351 0.000 3.562 258 V HA 0.717 4.838 4.120 0.001 0.000 0.270 258 V C 0.627 176.637 176.094 -0.140 0.000 1.418 258 V CA 0.649 62.875 62.300 -0.123 0.000 1.033 258 V CB 0.361 32.249 31.823 0.110 0.000 0.820 258 V HN 0.879 nan 8.190 nan 0.000 0.441 259 G N -0.614 107.972 108.800 -0.356 0.000 2.718 259 G HA2 0.574 4.535 3.960 0.001 0.000 0.295 259 G HA3 0.574 4.535 3.960 0.001 0.000 0.295 259 G C -2.472 172.367 174.900 -0.101 0.000 1.421 259 G CA -0.660 44.378 45.100 -0.103 0.000 0.902 259 G HN 0.375 nan 8.290 nan 0.000 0.501 260 Y N 0.463 120.753 120.300 -0.016 0.000 2.401 260 Y HA 0.686 5.237 4.550 0.001 0.000 0.330 260 Y C -0.305 175.628 175.900 0.055 0.000 1.071 260 Y CA -1.161 56.943 58.100 0.006 0.000 1.049 260 Y CB 1.914 40.478 38.460 0.175 0.000 1.239 260 Y HN 0.926 nan 8.280 nan 0.000 0.437 261 G N 5.240 113.929 108.800 -0.186 0.000 2.590 261 G HA2 0.497 4.458 3.960 0.001 0.000 0.310 261 G HA3 0.497 4.458 3.960 0.001 0.000 0.310 261 G C -1.829 172.837 174.900 -0.390 0.000 1.347 261 G CA -1.109 43.810 45.100 -0.301 0.000 0.963 261 G HN 0.770 nan 8.290 nan 0.000 0.494 262 N N 0.407 118.853 118.700 -0.423 0.000 2.430 262 N HA 0.631 5.372 4.740 0.001 0.000 0.290 262 N C -0.414 175.038 175.510 -0.097 0.000 1.063 262 N CA -0.675 52.241 53.050 -0.224 0.000 0.883 262 N CB 2.019 40.363 38.487 -0.239 0.000 1.465 262 N HN 0.605 nan 8.380 nan 0.000 0.493 263 T N -1.998 112.548 114.554 -0.012 0.000 2.831 263 T HA 0.663 5.013 4.350 0.001 0.000 0.287 263 T C -0.960 173.762 174.700 0.036 0.000 1.070 263 T CA -0.765 61.334 62.100 -0.001 0.000 1.010 263 T CB 1.479 70.338 68.868 -0.016 0.000 1.264 263 T HN 0.708 nan 8.240 nan 0.000 0.532 264 C N 0.866 120.174 119.300 0.014 0.000 2.547 264 C HA 0.605 5.066 4.460 0.001 0.000 0.313 264 C C 0.914 175.902 174.990 -0.003 0.000 1.191 264 C CA -0.414 58.609 59.018 0.009 0.000 1.474 264 C CB 0.622 28.363 27.740 0.003 0.000 2.081 264 C HN 0.990 nan 8.230 nan 0.000 0.476 265 D N 2.724 123.132 120.400 0.014 0.000 2.183 265 D HA 0.059 4.700 4.640 0.001 0.000 0.203 265 D C 1.596 177.955 176.300 0.099 0.000 0.969 265 D CA 1.710 55.735 54.000 0.042 0.000 0.842 265 D CB -0.148 40.729 40.800 0.128 0.000 0.957 265 D HN 1.117 nan 8.370 nan 0.000 0.484 266 A N -0.508 122.360 122.820 0.081 0.000 2.640 266 A HA -0.285 4.036 4.320 0.001 0.000 0.300 266 A C 0.657 178.342 177.584 0.168 0.000 1.499 266 A CA 1.411 53.496 52.037 0.080 0.000 0.759 266 A CB -2.230 16.798 19.000 0.046 0.000 1.048 266 A HN 0.506 nan 8.150 nan 0.000 0.450 267 Y N -1.052 119.287 120.300 0.064 0.000 2.769 267 Y HA 0.408 4.959 4.550 0.002 0.000 0.266 267 Y C 0.797 176.790 175.900 0.155 0.000 1.091 267 Y CA 1.287 59.459 58.100 0.120 0.000 1.272 267 Y CB 0.639 39.208 38.460 0.182 0.000 1.469 267 Y HN 0.727 nan 8.280 nan 0.000 0.475 268 H N -0.314 118.701 119.070 -0.092 0.000 3.068 268 H HA 0.278 4.835 4.556 0.001 0.000 0.342 268 H C 0.244 175.583 175.328 0.019 0.000 1.284 268 H CA -0.200 55.746 56.048 -0.170 0.000 1.181 268 H CB 1.601 31.196 29.762 -0.278 0.000 1.898 268 H HN 0.260 nan 8.280 nan 0.000 0.540 269 M N 1.105 120.557 119.600 -0.247 0.000 2.229 269 M HA -0.081 4.400 4.480 0.001 0.000 0.264 269 M C 1.385 177.839 176.300 0.256 0.000 1.063 269 M CA 2.343 57.642 55.300 -0.001 0.000 1.114 269 M CB -0.101 32.445 32.600 -0.091 0.000 1.387 269 M HN 0.658 nan 8.290 nan 0.000 0.420 270 T N -5.553 109.296 114.554 0.490 0.000 2.992 270 T HA 0.205 4.556 4.350 0.001 0.000 0.255 270 T C 0.668 175.668 174.700 0.499 0.000 0.938 270 T CA -0.377 62.050 62.100 0.544 0.000 0.895 270 T CB 0.152 69.244 68.868 0.373 0.000 1.221 270 T HN 0.008 nan 8.240 nan 0.000 0.512 271 S N 4.400 120.352 115.700 0.420 0.000 2.499 271 S HA 0.514 4.984 4.470 0.001 0.000 0.275 271 S C -2.360 172.412 174.600 0.286 0.000 1.257 271 S CA -0.918 57.372 58.200 0.150 0.000 1.050 271 S CB 1.014 64.053 63.200 -0.269 0.000 0.937 271 S HN 0.377 nan 8.310 nan 0.000 0.490 272 P HA 0.097 nan 4.420 nan 0.000 0.278 272 P C -0.505 176.813 177.300 0.030 0.000 1.258 272 P CA -0.572 62.611 63.100 0.138 0.000 0.811 272 P CB 0.396 32.120 31.700 0.039 0.000 1.063 273 H N 3.179 122.130 119.070 -0.199 0.000 3.070 273 H HA -0.002 4.555 4.556 0.001 0.000 0.313 273 H C -1.103 173.997 175.328 -0.379 0.000 0.997 273 H CA -0.682 55.014 56.048 -0.588 0.000 1.438 273 H CB 0.494 29.973 29.762 -0.472 0.000 1.455 273 H HN 0.221 nan 8.280 nan 0.000 0.575 274 P HA -0.184 nan 4.420 nan 0.000 0.217 274 P C 0.383 177.547 177.300 -0.228 0.000 1.148 274 P CA 1.492 64.364 63.100 -0.381 0.000 0.828 274 P CB 0.116 31.593 31.700 -0.371 0.000 0.783 275 E N -1.069 119.035 120.200 -0.161 0.000 2.499 275 E HA 0.384 4.734 4.350 0.001 0.000 0.207 275 E C 1.001 177.635 176.600 0.057 0.000 1.034 275 E CA -0.190 56.210 56.400 0.000 0.000 1.098 275 E CB -0.966 28.753 29.700 0.032 0.000 1.148 275 E HN 0.066 nan 8.360 nan 0.000 0.447 276 G N 1.560 110.371 108.800 0.019 0.000 2.380 276 G HA2 -0.474 3.487 3.960 0.001 0.000 0.298 276 G HA3 -0.474 3.487 3.960 0.001 0.000 0.298 276 G C 0.825 175.638 174.900 -0.144 0.000 0.989 276 G CA 1.020 46.055 45.100 -0.110 0.000 0.836 276 G HN 0.515 nan 8.290 nan 0.000 0.511 277 Q N -0.604 119.089 119.800 -0.178 0.000 2.077 277 Q HA -0.138 4.203 4.340 0.001 0.000 0.206 277 Q C 2.774 178.615 176.000 -0.265 0.000 0.989 277 Q CA 2.490 58.094 55.803 -0.331 0.000 0.853 277 Q CB -0.619 27.643 28.738 -0.794 0.000 0.907 277 Q HN 0.642 nan 8.270 nan 0.000 0.418 278 G N -0.283 108.353 108.800 -0.273 0.000 2.403 278 G HA2 -0.153 3.808 3.960 0.001 0.000 0.216 278 G HA3 -0.153 3.808 3.960 0.001 0.000 0.216 278 G C 1.417 176.250 174.900 -0.112 0.000 1.154 278 G CA 0.722 45.725 45.100 -0.162 0.000 0.784 278 G HN 0.493 nan 8.290 nan 0.000 0.538 279 A N 0.797 123.501 122.820 -0.194 0.000 1.902 279 A HA 0.067 4.388 4.320 0.001 0.000 0.217 279 A C 2.366 179.921 177.584 -0.048 0.000 1.181 279 A CA 1.135 53.060 52.037 -0.186 0.000 0.623 279 A CB -0.354 18.241 19.000 -0.675 0.000 0.818 279 A HN 0.358 nan 8.150 nan 0.000 0.443 280 I N -0.353 120.165 120.570 -0.087 0.000 2.163 280 I HA -0.322 3.849 4.170 0.001 0.000 0.243 280 I C 2.489 178.591 176.117 -0.027 0.000 1.085 280 I CA 1.839 63.113 61.300 -0.044 0.000 1.347 280 I CB -0.234 37.729 38.000 -0.060 0.000 1.044 280 I HN 0.303 nan 8.210 nan 0.000 0.408 281 K N 0.590 120.963 120.400 -0.045 0.000 2.097 281 K HA -0.145 4.176 4.320 0.001 0.000 0.206 281 K C 2.223 178.812 176.600 -0.019 0.000 1.049 281 K CA 1.459 57.724 56.287 -0.037 0.000 0.933 281 K CB -0.273 32.195 32.500 -0.054 0.000 0.717 281 K HN 0.336 nan 8.250 nan 0.000 0.442 282 A N 1.459 124.281 122.820 0.004 0.000 1.898 282 A HA -0.136 4.185 4.320 0.001 0.000 0.216 282 A C 2.131 179.731 177.584 0.027 0.000 1.181 282 A CA 1.240 53.289 52.037 0.020 0.000 0.620 282 A CB -0.553 18.505 19.000 0.096 0.000 0.819 282 A HN 0.159 nan 8.150 nan 0.000 0.442 283 I N -0.381 120.222 120.570 0.054 0.000 2.179 283 I HA -0.294 3.876 4.170 0.001 0.000 0.242 283 I C 2.461 178.586 176.117 0.012 0.000 1.088 283 I CA 1.707 63.034 61.300 0.045 0.000 1.357 283 I CB -0.278 37.758 38.000 0.060 0.000 1.051 283 I HN 0.278 nan 8.210 nan 0.000 0.409 284 K N 0.637 121.038 120.400 0.002 0.000 2.063 284 K HA -0.154 4.167 4.320 0.001 0.000 0.208 284 K C 2.110 178.704 176.600 -0.011 0.000 1.048 284 K CA 1.302 57.584 56.287 -0.008 0.000 0.928 284 K CB -0.248 32.244 32.500 -0.013 0.000 0.713 284 K HN 0.287 nan 8.250 nan 0.000 0.442 285 L N 0.397 121.610 121.223 -0.016 0.000 2.083 285 L HA -0.191 4.150 4.340 0.001 0.000 0.209 285 L C 2.546 179.411 176.870 -0.007 0.000 1.083 285 L CA 1.059 55.886 54.840 -0.020 0.000 0.752 285 L CB -0.478 41.550 42.059 -0.051 0.000 0.899 285 L HN 0.231 nan 8.230 nan 0.000 0.433 286 A N -0.074 122.740 122.820 -0.010 0.000 1.898 286 A HA -0.112 4.208 4.320 0.001 0.000 0.216 286 A C 2.207 179.786 177.584 -0.008 0.000 1.181 286 A CA 1.110 53.147 52.037 -0.001 0.000 0.620 286 A CB -0.536 18.458 19.000 -0.010 0.000 0.819 286 A HN 0.344 nan 8.150 nan 0.000 0.442 287 L N -0.791 120.421 121.223 -0.018 0.000 2.093 287 L HA -0.187 4.154 4.340 0.001 0.000 0.208 287 L C 2.543 179.396 176.870 -0.028 0.000 1.085 287 L CA 1.579 56.396 54.840 -0.038 0.000 0.755 287 L CB -0.705 41.330 42.059 -0.039 0.000 0.904 287 L HN 0.470 nan 8.230 nan 0.000 0.435 288 E N 0.130 120.325 120.200 -0.008 0.000 2.077 288 E HA -0.275 4.076 4.350 0.001 0.000 0.193 288 E C 2.088 178.704 176.600 0.027 0.000 0.989 288 E CA 1.339 57.741 56.400 0.004 0.000 0.800 288 E CB -0.004 29.701 29.700 0.008 0.000 0.746 288 E HN 0.440 nan 8.360 nan 0.000 0.452 289 E N 0.444 120.675 120.200 0.051 0.000 2.106 289 E HA -0.149 4.202 4.350 0.001 0.000 0.192 289 E C 1.837 178.493 176.600 0.093 0.000 0.984 289 E CA 0.917 57.378 56.400 0.102 0.000 0.806 289 E CB -0.028 29.777 29.700 0.175 0.000 0.750 289 E HN 0.215 nan 8.360 nan 0.000 0.458 290 A N 0.595 123.442 122.820 0.046 0.000 2.168 290 A HA -0.083 4.238 4.320 0.001 0.000 0.215 290 A C 0.430 178.009 177.584 -0.008 0.000 1.152 290 A CA 0.913 52.965 52.037 0.025 0.000 0.716 290 A CB -0.320 18.660 19.000 -0.033 0.000 0.794 290 A HN 0.441 nan 8.150 nan 0.000 0.465 291 E N -1.020 119.172 120.200 -0.014 0.000 2.320 291 E HA -0.200 4.151 4.350 0.001 0.000 0.234 291 E C -0.194 176.356 176.600 -0.084 0.000 1.183 291 E CA 0.769 57.153 56.400 -0.026 0.000 0.713 291 E CB -1.889 27.815 29.700 0.006 0.000 1.226 291 E HN 0.893 nan 8.360 nan 0.000 0.382 292 I N -3.063 117.422 120.570 -0.140 0.000 2.892 292 I HA 0.637 4.807 4.170 0.001 0.000 0.306 292 I C 0.404 176.434 176.117 -0.145 0.000 1.078 292 I CA -1.002 60.163 61.300 -0.225 0.000 1.032 292 I CB 2.152 39.853 38.000 -0.497 0.000 1.229 292 I HN -0.001 nan 8.210 nan 0.000 0.435 293 S N 2.480 118.107 115.700 -0.123 0.000 2.672 293 S HA 0.546 5.017 4.470 0.001 0.000 0.276 293 S C -1.979 172.582 174.600 -0.066 0.000 1.207 293 S CA -1.128 57.029 58.200 -0.071 0.000 1.002 293 S CB 1.206 64.379 63.200 -0.046 0.000 0.998 293 S HN 0.600 nan 8.310 nan 0.000 0.542 294 P HA -0.115 nan 4.420 nan 0.000 0.216 294 P C 0.830 178.125 177.300 -0.009 0.000 1.153 294 P CA 1.398 64.486 63.100 -0.020 0.000 0.858 294 P CB -0.140 31.555 31.700 -0.008 0.000 0.789 295 E N -0.460 119.736 120.200 -0.006 0.000 2.333 295 E HA -0.173 4.178 4.350 0.001 0.000 0.198 295 E C 1.926 178.539 176.600 0.021 0.000 1.007 295 E CA 0.840 57.246 56.400 0.010 0.000 0.845 295 E CB -0.817 28.888 29.700 0.009 0.000 0.766 295 E HN 0.444 nan 8.360 nan 0.000 0.507 296 Q N 0.135 119.932 119.800 -0.004 0.000 2.435 296 Q HA 0.037 4.377 4.340 0.001 0.000 0.207 296 Q C -0.187 175.857 176.000 0.073 0.000 0.956 296 Q CA 0.152 55.962 55.803 0.013 0.000 0.917 296 Q CB 0.509 29.173 28.738 -0.124 0.000 0.997 296 Q HN 0.127 nan 8.270 nan 0.000 0.497 297 V N 1.402 121.346 119.914 0.051 0.000 2.415 297 V HA 0.072 4.193 4.120 0.001 0.000 0.267 297 V C 0.767 176.938 176.094 0.128 0.000 1.042 297 V CA 0.271 62.633 62.300 0.102 0.000 1.000 297 V CB 0.810 32.669 31.823 0.060 0.000 1.015 297 V HN 0.191 nan 8.190 nan 0.000 0.478 298 A N 4.855 127.785 122.820 0.183 0.000 2.238 298 A HA 0.285 4.606 4.320 0.001 0.000 0.210 298 A C 0.320 178.050 177.584 0.242 0.000 1.179 298 A CA 0.451 52.593 52.037 0.175 0.000 0.827 298 A CB 0.139 19.235 19.000 0.159 0.000 0.856 298 A HN 0.830 nan 8.150 nan 0.000 0.488 299 Y N -1.701 118.650 120.300 0.086 0.000 2.521 299 Y HA 0.472 5.023 4.550 0.001 0.000 0.328 299 Y C -1.962 173.994 175.900 0.094 0.000 1.151 299 Y CA -1.662 56.481 58.100 0.073 0.000 1.054 299 Y CB 1.116 39.620 38.460 0.073 0.000 1.338 299 Y HN -0.138 nan 8.280 nan 0.000 0.453 300 V N 6.447 126.036 119.914 -0.541 0.000 2.378 300 V HA 0.330 4.450 4.120 0.001 0.000 0.288 300 V C -0.383 175.184 176.094 -0.878 0.000 1.016 300 V CA -0.991 60.997 62.300 -0.520 0.000 0.840 300 V CB 1.518 33.254 31.823 -0.145 0.000 0.994 300 V HN 0.776 nan 8.190 nan 0.000 0.431 301 N N 4.103 122.359 118.700 -0.741 0.000 2.439 301 N HA 0.355 5.096 4.740 0.001 0.000 0.243 301 N C 0.129 175.591 175.510 -0.080 0.000 1.088 301 N CA -0.141 52.704 53.050 -0.342 0.000 0.940 301 N CB 1.608 40.046 38.487 -0.082 0.000 1.180 301 N HN 0.824 nan 8.380 nan 0.000 0.505 302 A N 2.736 125.580 122.820 0.040 0.000 2.406 302 A HA 0.002 4.323 4.320 0.001 0.000 0.243 302 A C 1.215 178.856 177.584 0.095 0.000 1.082 302 A CA -0.059 52.067 52.037 0.149 0.000 0.786 302 A CB 0.190 19.413 19.000 0.372 0.000 1.029 302 A HN 0.920 nan 8.150 nan 0.000 0.495 303 H N 1.179 120.218 119.070 -0.052 0.000 2.357 303 H HA 0.082 4.639 4.556 0.001 0.000 0.301 303 H C 1.523 176.763 175.328 -0.146 0.000 1.082 303 H CA 1.480 57.424 56.048 -0.174 0.000 1.342 303 H CB -0.646 28.960 29.762 -0.261 0.000 1.389 303 H HN 1.155 nan 8.280 nan 0.000 0.511 304 G N 0.880 109.577 108.800 -0.171 0.000 2.089 304 G HA2 -0.314 3.647 3.960 0.001 0.000 0.250 304 G HA3 -0.314 3.647 3.960 0.001 0.000 0.250 304 G C 1.019 175.675 174.900 -0.408 0.000 0.772 304 G CA 0.968 45.860 45.100 -0.347 0.000 1.141 304 G HN 0.777 nan 8.290 nan 0.000 0.356 305 T N -2.159 112.081 114.554 -0.524 0.000 3.088 305 T HA 0.339 4.690 4.350 0.001 0.000 0.259 305 T C 1.457 176.059 174.700 -0.163 0.000 1.122 305 T CA 1.087 62.914 62.100 -0.456 0.000 1.095 305 T CB 0.285 68.795 68.868 -0.596 0.000 0.930 305 T HN 1.657 nan 8.240 nan 0.000 0.508 306 S N 0.715 116.305 115.700 -0.183 0.000 3.391 306 S HA -0.139 4.332 4.470 0.001 0.000 0.283 306 S C 0.325 174.907 174.600 -0.030 0.000 1.272 306 S CA 0.678 58.819 58.200 -0.099 0.000 0.912 306 S CB -2.142 61.035 63.200 -0.039 0.000 1.109 306 S HN 1.234 nan 8.310 nan 0.000 0.648 307 T N -1.347 113.194 114.554 -0.022 0.000 2.929 307 T HA 0.685 5.036 4.350 0.001 0.000 0.284 307 T C -1.445 173.263 174.700 0.014 0.000 1.014 307 T CA -1.541 60.584 62.100 0.042 0.000 1.051 307 T CB 1.608 70.548 68.868 0.120 0.000 1.028 307 T HN -0.079 nan 8.240 nan 0.000 0.485 308 P HA -0.061 nan 4.420 nan 0.000 0.213 308 P C 1.742 179.076 177.300 0.057 0.000 1.170 308 P CA 1.828 64.962 63.100 0.057 0.000 0.898 308 P CB -0.319 31.417 31.700 0.059 0.000 0.787 309 A N -0.648 122.199 122.820 0.045 0.000 1.902 309 A HA -0.275 4.046 4.320 0.001 0.000 0.217 309 A C 2.271 179.867 177.584 0.021 0.000 1.181 309 A CA 2.339 54.392 52.037 0.027 0.000 0.623 309 A CB -1.912 17.109 19.000 0.035 0.000 0.818 309 A HN 0.207 nan 8.150 nan 0.000 0.443 310 N N -0.261 118.454 118.700 0.024 0.000 2.025 310 N HA -0.210 4.531 4.740 0.001 0.000 0.194 310 N C 1.561 177.056 175.510 -0.024 0.000 1.044 310 N CA 2.158 55.216 53.050 0.012 0.000 0.851 310 N CB -0.289 38.203 38.487 0.008 0.000 1.036 310 N HN 0.519 nan 8.380 nan 0.000 0.422 311 E N 0.050 120.191 120.200 -0.098 0.000 2.150 311 E HA -0.144 4.207 4.350 0.001 0.000 0.193 311 E C 1.773 178.430 176.600 0.095 0.000 0.985 311 E CA 0.765 57.073 56.400 -0.153 0.000 0.814 311 E CB -0.058 29.356 29.700 -0.476 0.000 0.752 311 E HN 0.409 nan 8.360 nan 0.000 0.466 312 K N 0.061 120.545 120.400 0.139 0.000 2.002 312 K HA -0.122 4.199 4.320 0.001 0.000 0.209 312 K C 2.131 178.790 176.600 0.099 0.000 1.048 312 K CA 1.670 58.086 56.287 0.214 0.000 0.930 312 K CB -0.410 32.147 32.500 0.095 0.000 0.714 312 K HN 0.197 nan 8.250 nan 0.000 0.438 313 G N 0.607 109.416 108.800 0.016 0.000 2.408 313 G HA2 -0.270 3.691 3.960 0.001 0.000 0.217 313 G HA3 -0.270 3.691 3.960 0.001 0.000 0.217 313 G C 1.371 176.246 174.900 -0.043 0.000 1.150 313 G CA 0.843 45.920 45.100 -0.039 0.000 0.776 313 G HN 0.551 nan 8.290 nan 0.000 0.542 314 E N 0.331 120.529 120.200 -0.004 0.000 2.047 314 E HA -0.137 4.214 4.350 0.001 0.000 0.191 314 E C 2.574 179.277 176.600 0.172 0.000 0.987 314 E CA 1.247 57.688 56.400 0.068 0.000 0.799 314 E CB -0.261 29.575 29.700 0.226 0.000 0.752 314 E HN 0.344 nan 8.360 nan 0.000 0.449 315 S N -0.481 115.371 115.700 0.253 0.000 2.356 315 S HA -0.128 4.343 4.470 0.001 0.000 0.223 315 S C 2.050 176.730 174.600 0.134 0.000 1.032 315 S CA 1.591 59.940 58.200 0.249 0.000 1.005 315 S CB -0.814 62.558 63.200 0.287 0.000 0.867 315 S HN 0.487 nan 8.310 nan 0.000 0.449 316 G N 0.879 109.742 108.800 0.104 0.000 2.476 316 G HA2 -0.162 3.799 3.960 0.001 0.000 0.218 316 G HA3 -0.162 3.799 3.960 0.001 0.000 0.218 316 G C 1.686 176.603 174.900 0.029 0.000 1.164 316 G CA 1.205 46.338 45.100 0.055 0.000 0.768 316 G HN 0.747 nan 8.290 nan 0.000 0.560 317 A N 0.446 123.271 122.820 0.009 0.000 1.898 317 A HA 0.139 4.460 4.320 0.001 0.000 0.216 317 A C 2.423 180.027 177.584 0.032 0.000 1.181 317 A CA 1.208 53.240 52.037 -0.008 0.000 0.620 317 A CB -0.307 18.649 19.000 -0.073 0.000 0.819 317 A HN 0.374 nan 8.150 nan 0.000 0.442 318 I N -0.389 120.222 120.570 0.069 0.000 2.179 318 I HA -0.228 3.943 4.170 0.001 0.000 0.242 318 I C 2.367 178.512 176.117 0.047 0.000 1.088 318 I CA 1.203 62.547 61.300 0.074 0.000 1.357 318 I CB -0.293 37.765 38.000 0.097 0.000 1.051 318 I HN 0.156 nan 8.210 nan 0.000 0.409 319 V N 0.980 120.922 119.914 0.045 0.000 2.295 319 V HA -0.315 3.806 4.120 0.001 0.000 0.246 319 V C 2.721 178.829 176.094 0.023 0.000 1.049 319 V CA 2.025 64.345 62.300 0.032 0.000 1.024 319 V CB -1.115 30.730 31.823 0.037 0.000 0.648 319 V HN 0.514 nan 8.190 nan 0.000 0.447 320 A N -0.478 122.353 122.820 0.019 0.000 1.940 320 A HA -0.159 4.162 4.320 0.001 0.000 0.219 320 A C 2.310 179.898 177.584 0.007 0.000 1.176 320 A CA 2.375 54.417 52.037 0.009 0.000 0.631 320 A CB -0.488 18.511 19.000 -0.000 0.000 0.814 320 A HN 0.388 nan 8.150 nan 0.000 0.446 321 V N -1.078 118.842 119.914 0.011 0.000 2.492 321 V HA 0.011 4.132 4.120 0.001 0.000 0.241 321 V C 2.195 178.295 176.094 0.011 0.000 1.041 321 V CA 1.388 63.693 62.300 0.009 0.000 1.057 321 V CB -0.398 31.432 31.823 0.012 0.000 0.711 321 V HN 0.507 nan 8.190 nan 0.000 0.468 322 L N -0.461 120.772 121.223 0.018 0.000 2.556 322 L HA 0.560 4.901 4.340 0.001 0.000 0.226 322 L C 1.163 178.043 176.870 0.018 0.000 1.089 322 L CA 0.739 55.590 54.840 0.018 0.000 0.864 322 L CB -0.137 41.937 42.059 0.025 0.000 1.067 322 L HN 0.533 nan 8.230 nan 0.000 0.477 323 G N 0.956 109.767 108.800 0.018 0.000 2.660 323 G HA2 -0.235 3.726 3.960 0.001 0.000 0.247 323 G HA3 -0.235 3.726 3.960 0.001 0.000 0.247 323 G C -0.036 174.873 174.900 0.016 0.000 1.328 323 G CA -0.188 44.922 45.100 0.016 0.000 0.884 323 G HN 0.157 nan 8.290 nan 0.000 0.531 324 K N 0.184 120.592 120.400 0.013 0.000 2.393 324 K HA 0.469 4.790 4.320 0.001 0.000 0.193 324 K C 2.330 178.933 176.600 0.004 0.000 1.026 324 K CA 1.045 57.337 56.287 0.008 0.000 1.064 324 K CB 0.394 32.900 32.500 0.009 0.000 0.833 324 K HN 0.697 nan 8.250 nan 0.000 0.521 325 A N 0.972 123.797 122.820 0.008 0.000 1.997 325 A HA 0.063 4.384 4.320 0.001 0.000 0.212 325 A C 0.879 178.471 177.584 0.014 0.000 1.178 325 A CA -0.139 51.903 52.037 0.008 0.000 0.698 325 A CB 0.172 19.178 19.000 0.010 0.000 0.842 325 A HN 0.115 nan 8.150 nan 0.000 0.458 326 V N 3.349 123.277 119.914 0.023 0.000 2.584 326 V HA 0.125 4.246 4.120 0.001 0.000 0.303 326 V C -2.284 173.834 176.094 0.041 0.000 1.035 326 V CA -1.503 60.821 62.300 0.041 0.000 1.172 326 V CB 0.652 32.501 31.823 0.044 0.000 0.896 326 V HN 0.313 nan 8.190 nan 0.000 0.486 327 P HA 0.230 nan 4.420 nan 0.000 0.276 327 P C -1.027 176.355 177.300 0.137 0.000 1.230 327 P CA 0.066 63.215 63.100 0.083 0.000 0.776 327 P CB 1.090 32.844 31.700 0.091 0.000 0.888 328 V N 3.025 122.973 119.914 0.056 0.000 2.588 328 V HA 0.593 4.714 4.120 0.001 0.000 0.304 328 V C 0.208 176.344 176.094 0.070 0.000 1.042 328 V CA -0.347 61.965 62.300 0.020 0.000 0.877 328 V CB 1.806 33.551 31.823 -0.130 0.000 0.996 328 V HN 0.806 nan 8.190 nan 0.000 0.425 329 S N 2.239 118.065 115.700 0.209 0.000 2.564 329 S HA 0.758 5.229 4.470 0.001 0.000 0.274 329 S C -0.796 173.981 174.600 0.295 0.000 1.124 329 S CA -0.689 57.666 58.200 0.258 0.000 0.869 329 S CB 2.068 65.439 63.200 0.284 0.000 1.105 329 S HN 0.808 nan 8.310 nan 0.000 0.472 330 S N 0.873 116.766 115.700 0.321 0.000 2.530 330 S HA 0.499 4.970 4.470 0.001 0.000 0.322 330 S C 0.734 175.478 174.600 0.240 0.000 1.085 330 S CA -0.130 58.220 58.200 0.250 0.000 1.096 330 S CB 0.699 64.022 63.200 0.205 0.000 0.988 330 S HN 1.025 nan 8.310 nan 0.000 0.466 331 T N 2.244 116.931 114.554 0.222 0.000 3.169 331 T HA 0.212 4.563 4.350 0.001 0.000 0.250 331 T C 1.115 175.959 174.700 0.239 0.000 1.111 331 T CA 0.031 62.296 62.100 0.274 0.000 1.010 331 T CB -0.198 68.750 68.868 0.132 0.000 0.984 331 T HN 0.624 nan 8.240 nan 0.000 0.537 332 K N 1.786 122.266 120.400 0.134 0.000 2.439 332 K HA -0.011 4.310 4.320 0.001 0.000 0.197 332 K C 2.489 179.139 176.600 0.084 0.000 1.041 332 K CA 1.052 57.387 56.287 0.081 0.000 0.970 332 K CB -0.083 32.389 32.500 -0.046 0.000 0.773 332 K HN 0.584 nan 8.250 nan 0.000 0.479 333 S N -0.018 115.736 115.700 0.090 0.000 2.447 333 S HA -0.084 4.387 4.470 0.001 0.000 0.233 333 S C 1.635 176.162 174.600 -0.121 0.000 1.006 333 S CA 0.747 58.932 58.200 -0.025 0.000 0.957 333 S CB -0.248 62.915 63.200 -0.062 0.000 0.773 333 S HN 0.169 nan 8.310 nan 0.000 0.507 334 F N 2.234 122.174 119.950 -0.016 0.000 2.315 334 F HA 0.144 4.672 4.527 0.001 0.000 0.284 334 F C 3.006 178.796 175.800 -0.017 0.000 1.049 334 F CA 1.177 59.150 58.000 -0.044 0.000 1.323 334 F CB -0.647 38.287 39.000 -0.109 0.000 1.113 334 F HN 0.326 nan 8.300 nan 0.000 0.544 335 T N -2.203 112.491 114.554 0.233 0.000 3.067 335 T HA 0.477 4.828 4.350 0.001 0.000 0.257 335 T C 1.150 175.938 174.700 0.146 0.000 1.105 335 T CA 0.471 62.677 62.100 0.177 0.000 1.104 335 T CB -0.467 68.526 68.868 0.208 0.000 0.925 335 T HN 0.502 nan 8.240 nan 0.000 0.498 336 G N 1.219 110.099 108.800 0.133 0.000 2.796 336 G HA2 -0.149 3.812 3.960 0.001 0.000 0.571 336 G HA3 -0.149 3.812 3.960 0.001 0.000 0.571 336 G C -0.800 174.203 174.900 0.171 0.000 1.370 336 G CA -0.356 44.831 45.100 0.146 0.000 0.856 336 G HN 0.854 nan 8.290 nan 0.000 0.538 337 H N 0.174 119.267 119.070 0.039 0.000 2.723 337 H HA 0.530 5.087 4.556 0.002 0.000 0.294 337 H C 1.137 176.439 175.328 -0.044 0.000 1.079 337 H CA -0.939 55.043 56.048 -0.110 0.000 1.411 337 H CB 0.978 30.480 29.762 -0.433 0.000 1.439 337 H HN 0.370 nan 8.280 nan 0.000 0.474 338 L N 6.595 127.923 121.223 0.175 0.000 2.627 338 L HA 0.073 4.414 4.340 0.001 0.000 0.232 338 L C 1.229 178.080 176.870 -0.032 0.000 1.150 338 L CA 0.510 55.394 54.840 0.073 0.000 0.917 338 L CB -1.012 41.121 42.059 0.124 0.000 1.104 338 L HN 0.788 nan 8.230 nan 0.000 0.445 339 L N -1.420 119.604 121.223 -0.330 0.000 5.531 339 L HA -0.414 3.927 4.340 0.001 0.000 0.053 339 L C 1.897 178.758 176.870 -0.015 0.000 2.831 339 L CA 1.305 55.933 54.840 -0.354 0.000 1.552 339 L CB -1.824 40.098 42.059 -0.228 0.000 2.889 339 L HN 0.259 nan 8.230 nan 0.000 0.964 340 G N -1.103 107.721 108.800 0.041 0.000 2.479 340 G HA2 0.033 3.994 3.960 0.001 0.000 0.220 340 G HA3 0.033 3.994 3.960 0.001 0.000 0.220 340 G C 1.177 176.132 174.900 0.093 0.000 1.115 340 G CA 1.239 46.387 45.100 0.079 0.000 0.757 340 G HN 0.879 nan 8.290 nan 0.000 0.560 341 A N 0.127 123.008 122.820 0.101 0.000 2.267 341 A HA 0.683 5.004 4.320 0.001 0.000 0.213 341 A C 2.503 180.150 177.584 0.106 0.000 1.192 341 A CA 1.220 53.322 52.037 0.108 0.000 0.851 341 A CB -0.164 18.912 19.000 0.127 0.000 0.881 341 A HN 0.510 nan 8.150 nan 0.000 0.494 342 A N 0.270 123.163 122.820 0.123 0.000 1.873 342 A HA 0.008 4.329 4.320 0.001 0.000 0.218 342 A C 2.356 180.009 177.584 0.116 0.000 1.193 342 A CA 2.067 54.195 52.037 0.151 0.000 0.629 342 A CB -1.382 17.762 19.000 0.240 0.000 0.826 342 A HN 0.751 nan 8.150 nan 0.000 0.447 343 G N -0.866 107.992 108.800 0.096 0.000 2.442 343 G HA2 0.002 3.963 3.960 0.001 0.000 0.219 343 G HA3 0.002 3.963 3.960 0.001 0.000 0.219 343 G C 1.711 176.657 174.900 0.076 0.000 1.141 343 G CA 1.567 46.713 45.100 0.077 0.000 0.763 343 G HN 0.844 nan 8.290 nan 0.000 0.554 344 A N 0.554 123.412 122.820 0.064 0.000 1.873 344 A HA 0.082 4.402 4.320 0.001 0.000 0.215 344 A C 2.719 180.301 177.584 -0.003 0.000 1.186 344 A CA 2.440 54.500 52.037 0.038 0.000 0.616 344 A CB -0.875 18.151 19.000 0.044 0.000 0.823 344 A HN 0.916 nan 8.150 nan 0.000 0.442 345 V N -1.790 118.133 119.914 0.016 0.000 2.515 345 V HA -0.191 3.930 4.120 0.001 0.000 0.250 345 V C 1.814 177.943 176.094 0.058 0.000 1.058 345 V CA 2.440 64.726 62.300 -0.023 0.000 1.064 345 V CB -0.986 30.865 31.823 0.046 0.000 0.675 345 V HN 0.582 nan 8.190 nan 0.000 0.461 346 E N 1.066 121.324 120.200 0.095 0.000 2.204 346 E HA 0.014 4.365 4.350 0.001 0.000 0.194 346 E C 2.355 178.983 176.600 0.047 0.000 0.989 346 E CA 1.218 57.687 56.400 0.113 0.000 0.824 346 E CB -0.371 29.397 29.700 0.113 0.000 0.756 346 E HN 0.751 nan 8.360 nan 0.000 0.477 347 A N 0.850 123.668 122.820 -0.003 0.000 1.930 347 A HA -0.143 4.177 4.320 0.001 0.000 0.217 347 A C 2.116 179.480 177.584 -0.367 0.000 1.175 347 A CA 0.920 52.864 52.037 -0.154 0.000 0.627 347 A CB -0.417 18.595 19.000 0.020 0.000 0.815 347 A HN 0.144 nan 8.150 nan 0.000 0.443 348 I N -0.573 119.823 120.570 -0.290 0.000 2.252 348 I HA -0.192 3.979 4.170 0.001 0.000 0.245 348 I C 2.334 178.359 176.117 -0.154 0.000 1.102 348 I CA 0.888 61.918 61.300 -0.450 0.000 1.385 348 I CB -0.257 37.445 38.000 -0.496 0.000 1.064 348 I HN 0.145 nan 8.210 nan 0.000 0.414 349 V N 0.628 120.609 119.914 0.112 0.000 2.255 349 V HA -0.318 3.802 4.120 0.001 0.000 0.247 349 V C 2.524 178.728 176.094 0.184 0.000 1.051 349 V CA 2.608 65.087 62.300 0.298 0.000 1.018 349 V CB -1.024 30.985 31.823 0.311 0.000 0.641 349 V HN 0.475 nan 8.190 nan 0.000 0.445 350 T N 0.229 114.822 114.554 0.065 0.000 2.684 350 T HA -0.180 4.171 4.350 0.001 0.000 0.267 350 T C 1.818 176.448 174.700 -0.117 0.000 1.036 350 T CA 1.994 64.120 62.100 0.043 0.000 1.148 350 T CB -0.333 68.485 68.868 -0.083 0.000 0.863 350 T HN 0.342 nan 8.240 nan 0.000 0.436 351 I N 0.806 121.170 120.570 -0.343 0.000 2.226 351 I HA -0.135 4.036 4.170 0.001 0.000 0.245 351 I C 2.756 178.793 176.117 -0.133 0.000 1.100 351 I CA 1.122 62.249 61.300 -0.288 0.000 1.374 351 I CB -0.274 37.485 38.000 -0.402 0.000 1.057 351 I HN 0.122 nan 8.210 nan 0.000 0.413 352 E N 0.816 120.947 120.200 -0.115 0.000 2.110 352 E HA -0.188 4.163 4.350 0.001 0.000 0.193 352 E C 2.315 178.731 176.600 -0.307 0.000 0.988 352 E CA 1.347 57.658 56.400 -0.147 0.000 0.804 352 E CB -0.293 29.348 29.700 -0.098 0.000 0.745 352 E HN 0.507 nan 8.360 nan 0.000 0.458 353 A N 1.113 123.872 122.820 -0.101 0.000 1.877 353 A HA -0.163 4.158 4.320 0.001 0.000 0.216 353 A C 2.286 179.854 177.584 -0.027 0.000 1.186 353 A CA 1.586 53.617 52.037 -0.009 0.000 0.620 353 A CB -0.492 18.497 19.000 -0.018 0.000 0.822 353 A HN 0.169 nan 8.150 nan 0.000 0.443 354 M N -1.177 118.413 119.600 -0.017 0.000 2.159 354 M HA -0.130 4.351 4.480 0.001 0.000 0.263 354 M C 2.276 178.550 176.300 -0.044 0.000 1.063 354 M CA 1.354 56.651 55.300 -0.006 0.000 1.110 354 M CB -0.339 32.265 32.600 0.007 0.000 1.374 354 M HN 0.365 nan 8.290 nan 0.000 0.411 355 R N -1.048 119.398 120.500 -0.091 0.000 2.153 355 R HA -0.023 4.317 4.340 0.001 0.000 0.218 355 R C 1.413 177.528 176.300 -0.309 0.000 1.072 355 R CA 0.715 56.711 56.100 -0.173 0.000 0.990 355 R CB -0.096 30.092 30.300 -0.187 0.000 0.889 355 R HN 0.547 nan 8.270 nan 0.000 0.452 356 H N 0.372 119.269 119.070 -0.288 0.000 2.586 356 H HA 0.169 4.726 4.556 0.001 0.000 0.273 356 H C -0.076 175.253 175.328 0.002 0.000 0.997 356 H CA -0.142 55.769 56.048 -0.229 0.000 1.177 356 H CB 0.449 29.917 29.762 -0.491 0.000 1.471 356 H HN 0.175 nan 8.280 nan 0.000 0.538 357 N N 0.314 119.072 118.700 0.097 0.000 2.727 357 N HA -0.242 4.499 4.740 0.001 0.000 0.249 357 N C -0.826 174.829 175.510 0.243 0.000 1.048 357 N CA 0.851 53.969 53.050 0.114 0.000 0.714 357 N CB -1.759 36.777 38.487 0.083 0.000 0.959 357 N HN 0.304 nan 8.380 nan 0.000 0.544 358 F N -0.357 119.632 119.950 0.065 0.000 2.605 358 F HA 0.358 4.886 4.527 0.002 0.000 0.320 358 F C -0.798 175.019 175.800 0.028 0.000 1.159 358 F CA -0.751 57.312 58.000 0.106 0.000 0.999 358 F CB 1.395 40.570 39.000 0.293 0.000 1.258 358 F HN -0.188 nan 8.300 nan 0.000 0.464 359 V N 7.775 127.318 119.914 -0.618 0.000 2.408 359 V HA 0.333 4.454 4.120 0.001 0.000 0.267 359 V C -2.056 173.637 176.094 -0.668 0.000 1.047 359 V CA -1.584 60.301 62.300 -0.691 0.000 0.937 359 V CB 0.898 32.393 31.823 -0.547 0.000 0.999 359 V HN 0.546 nan 8.190 nan 0.000 0.472 360 P HA 0.245 nan 4.420 nan 0.000 0.274 360 P C -0.166 177.091 177.300 -0.072 0.000 1.231 360 P CA -0.401 62.592 63.100 -0.179 0.000 0.790 360 P CB 0.565 32.136 31.700 -0.214 0.000 0.951 361 M N -0.343 119.286 119.600 0.047 0.000 2.197 361 M HA 0.414 4.895 4.480 0.001 0.000 0.305 361 M C -0.442 176.028 176.300 0.284 0.000 1.162 361 M CA 0.331 55.708 55.300 0.129 0.000 1.099 361 M CB 0.104 32.778 32.600 0.123 0.000 1.430 361 M HN 0.017 nan 8.290 nan 0.000 0.481 362 T N 2.216 116.904 114.554 0.223 0.000 2.727 362 T HA 0.567 4.918 4.350 0.001 0.000 0.298 362 T C 0.210 174.957 174.700 0.079 0.000 0.942 362 T CA -0.512 61.713 62.100 0.207 0.000 0.997 362 T CB 0.371 69.376 68.868 0.228 0.000 0.917 362 T HN 0.732 nan 8.240 nan 0.000 0.487 363 A N 2.738 125.467 122.820 -0.151 0.000 2.327 363 A HA 0.652 4.973 4.320 0.001 0.000 0.255 363 A C 1.719 179.195 177.584 -0.179 0.000 1.099 363 A CA 0.172 52.011 52.037 -0.329 0.000 0.801 363 A CB -0.664 17.788 19.000 -0.914 0.000 1.062 363 A HN 1.345 nan 8.150 nan 0.000 0.496 364 G N -0.505 108.208 108.800 -0.146 0.000 2.746 364 G HA2 -0.302 3.658 3.960 0.001 0.000 0.236 364 G HA3 -0.302 3.658 3.960 0.001 0.000 0.236 364 G C 0.769 175.633 174.900 -0.060 0.000 1.172 364 G CA 1.144 46.187 45.100 -0.095 0.000 0.736 364 G HN 1.413 nan 8.290 nan 0.000 0.519 365 T N 1.623 116.143 114.554 -0.056 0.000 2.908 365 T HA 0.412 4.763 4.350 0.001 0.000 0.301 365 T C 1.464 176.072 174.700 -0.152 0.000 1.019 365 T CA 1.224 63.253 62.100 -0.119 0.000 1.152 365 T CB 1.051 69.849 68.868 -0.117 0.000 0.966 365 T HN 1.268 nan 8.240 nan 0.000 0.540 366 S N 1.223 116.790 115.700 -0.221 0.000 2.651 366 S HA 0.274 4.745 4.470 0.001 0.000 0.259 366 S C 0.122 174.592 174.600 -0.217 0.000 1.073 366 S CA -0.592 57.535 58.200 -0.121 0.000 1.090 366 S CB 0.529 63.716 63.200 -0.023 0.000 1.042 366 S HN 0.718 nan 8.310 nan 0.000 0.581 367 E N 1.292 121.297 120.200 -0.325 0.000 2.378 367 E HA 0.421 4.772 4.350 0.001 0.000 0.282 367 E C -1.545 174.891 176.600 -0.273 0.000 0.910 367 E CA -0.420 55.833 56.400 -0.244 0.000 0.816 367 E CB 2.086 31.722 29.700 -0.106 0.000 1.359 367 E HN 0.148 nan 8.360 nan 0.000 0.397 368 V N 2.725 122.454 119.914 -0.309 0.000 2.715 368 V HA 0.103 4.224 4.120 0.001 0.000 0.299 368 V C 0.583 176.561 176.094 -0.194 0.000 1.054 368 V CA -0.207 61.961 62.300 -0.221 0.000 1.077 368 V CB 1.513 33.231 31.823 -0.174 0.000 0.972 368 V HN 0.691 nan 8.190 nan 0.000 0.484 369 S N 2.989 118.534 115.700 -0.258 0.000 2.558 369 S HA 0.078 4.549 4.470 0.001 0.000 0.293 369 S C 1.484 175.831 174.600 -0.421 0.000 1.292 369 S CA 0.380 58.317 58.200 -0.438 0.000 1.063 369 S CB 0.531 63.190 63.200 -0.901 0.000 0.831 369 S HN 1.012 nan 8.310 nan 0.000 0.499 370 D N 1.963 122.197 120.400 -0.276 0.000 2.182 370 D HA -0.172 4.469 4.640 0.001 0.000 0.201 370 D C 1.402 177.651 176.300 -0.085 0.000 0.986 370 D CA 1.922 55.846 54.000 -0.126 0.000 0.847 370 D CB -0.921 39.862 40.800 -0.028 0.000 0.942 370 D HN 0.895 nan 8.370 nan 0.000 0.467 371 Y N -1.038 119.275 120.300 0.022 0.000 2.583 371 Y HA 0.354 4.904 4.550 0.001 0.000 0.293 371 Y C 0.971 176.891 175.900 0.034 0.000 1.157 371 Y CA -0.735 57.379 58.100 0.023 0.000 1.315 371 Y CB -0.678 37.792 38.460 0.018 0.000 1.021 371 Y HN 0.180 nan 8.280 nan 0.000 0.536 372 I N 2.780 123.276 120.570 -0.125 0.000 2.421 372 I HA 0.010 4.181 4.170 0.001 0.000 0.291 372 I C 0.532 176.662 176.117 0.023 0.000 1.089 372 I CA 0.413 61.719 61.300 0.010 0.000 1.354 372 I CB 0.928 38.908 38.000 -0.034 0.000 1.413 372 I HN 0.340 nan 8.210 nan 0.000 0.513 373 E N 4.829 125.065 120.200 0.060 0.000 2.452 373 E HA 0.153 4.504 4.350 0.001 0.000 0.197 373 E C 0.797 177.403 176.600 0.010 0.000 1.022 373 E CA -0.205 56.215 56.400 0.034 0.000 0.890 373 E CB 0.403 30.131 29.700 0.046 0.000 0.918 373 E HN 0.735 nan 8.360 nan 0.000 0.496 374 A N 2.168 124.988 122.820 -0.001 0.000 2.406 374 A HA 0.040 4.361 4.320 0.001 0.000 0.243 374 A C 0.400 177.936 177.584 -0.079 0.000 1.082 374 A CA -0.289 51.723 52.037 -0.041 0.000 0.786 374 A CB 0.104 19.063 19.000 -0.068 0.000 1.029 374 A HN 0.070 nan 8.150 nan 0.000 0.495 375 N N 1.421 120.080 118.700 -0.068 0.000 2.895 375 N HA 0.200 4.941 4.740 0.001 0.000 0.277 375 N C -0.665 174.783 175.510 -0.103 0.000 1.185 375 N CA -0.087 52.926 53.050 -0.061 0.000 1.106 375 N CB -0.527 37.942 38.487 -0.031 0.000 1.422 375 N HN 0.288 nan 8.380 nan 0.000 0.521 376 V N 2.719 122.542 119.914 -0.152 0.000 2.485 376 V HA 0.042 4.163 4.120 0.001 0.000 0.287 376 V C 0.484 176.590 176.094 0.020 0.000 1.022 376 V CA -0.499 61.686 62.300 -0.192 0.000 1.067 376 V CB 0.857 32.492 31.823 -0.314 0.000 0.967 376 V HN 0.194 nan 8.190 nan 0.000 0.479 377 V N 7.898 127.817 119.914 0.008 0.000 2.408 377 V HA 0.426 4.546 4.120 0.001 0.000 0.267 377 V C -0.295 175.866 176.094 0.112 0.000 1.047 377 V CA -0.179 62.120 62.300 -0.001 0.000 0.937 377 V CB -0.099 31.708 31.823 -0.027 0.000 0.999 377 V HN 0.882 nan 8.190 nan 0.000 0.472 378 Y N 2.202 122.484 120.300 -0.031 0.000 2.625 378 Y HA 0.864 5.414 4.550 0.001 0.000 0.338 378 Y C 0.804 176.695 175.900 -0.015 0.000 1.123 378 Y CA -0.305 57.788 58.100 -0.011 0.000 1.046 378 Y CB 1.501 39.955 38.460 -0.009 0.000 1.299 378 Y HN 0.780 nan 8.280 nan 0.000 0.464 379 G N 0.461 109.330 108.800 0.115 0.000 2.812 379 G HA2 -0.127 3.834 3.960 0.001 0.000 0.219 379 G HA3 -0.127 3.834 3.960 0.001 0.000 0.219 379 G C -0.302 174.596 174.900 -0.003 0.000 1.275 379 G CA 0.625 45.735 45.100 0.018 0.000 0.769 379 G HN 1.280 nan 8.290 nan 0.000 0.527 380 Q N 0.663 120.442 119.800 -0.035 0.000 2.522 380 Q HA 0.590 4.931 4.340 0.001 0.000 0.285 380 Q C 0.172 176.158 176.000 -0.023 0.000 0.982 380 Q CA -0.174 55.635 55.803 0.010 0.000 0.805 380 Q CB 0.864 29.606 28.738 0.008 0.000 1.457 380 Q HN 1.377 nan 8.270 nan 0.000 0.394 381 G N 0.668 109.486 108.800 0.030 0.000 2.667 381 G HA2 0.429 4.390 3.960 0.001 0.000 0.250 381 G HA3 0.429 4.390 3.960 0.001 0.000 0.250 381 G C -0.803 173.838 174.900 -0.431 0.000 1.212 381 G CA -0.655 44.287 45.100 -0.263 0.000 0.874 381 G HN 0.500 nan 8.290 nan 0.000 0.561 382 L N 0.872 121.618 121.223 -0.795 0.000 2.372 382 L HA 0.614 4.955 4.340 0.001 0.000 0.274 382 L C 0.319 176.905 176.870 -0.473 0.000 0.988 382 L CA -0.857 53.709 54.840 -0.457 0.000 0.833 382 L CB 1.271 43.161 42.059 -0.283 0.000 1.236 382 L HN 0.647 nan 8.230 nan 0.000 0.410 383 A N 6.160 128.920 122.820 -0.101 0.000 2.409 383 A HA 0.549 4.869 4.320 0.001 0.000 0.267 383 A C -0.353 177.248 177.584 0.028 0.000 1.127 383 A CA -0.078 52.032 52.037 0.122 0.000 0.795 383 A CB 0.293 19.429 19.000 0.226 0.000 1.061 383 A HN 0.789 nan 8.150 nan 0.000 0.502 384 K N 1.706 122.129 120.400 0.037 0.000 2.685 384 K HA 0.355 4.675 4.320 0.001 0.000 0.290 384 K C -1.387 175.232 176.600 0.032 0.000 1.018 384 K CA -0.913 55.386 56.287 0.020 0.000 0.860 384 K CB 0.708 33.202 32.500 -0.009 0.000 1.498 384 K HN 0.353 nan 8.250 nan 0.000 0.390 385 E N 1.599 121.817 120.200 0.030 0.000 2.338 385 E HA 0.269 4.620 4.350 0.001 0.000 0.272 385 E C -0.403 176.221 176.600 0.038 0.000 1.029 385 E CA -0.187 56.230 56.400 0.028 0.000 0.872 385 E CB 0.867 30.581 29.700 0.022 0.000 1.015 385 E HN 0.463 nan 8.360 nan 0.000 0.417 386 I N 4.684 125.277 120.570 0.037 0.000 2.563 386 I HA 0.160 4.331 4.170 0.001 0.000 0.276 386 I C -1.994 174.148 176.117 0.042 0.000 1.074 386 I CA -1.707 59.634 61.300 0.069 0.000 1.124 386 I CB 1.677 39.726 38.000 0.082 0.000 1.225 386 I HN 0.140 nan 8.210 nan 0.000 0.482 387 P HA 0.081 nan 4.420 nan 0.000 0.235 387 P C -0.725 176.395 177.300 -0.299 0.000 1.177 387 P CA 0.862 63.899 63.100 -0.104 0.000 0.785 387 P CB 0.224 31.899 31.700 -0.042 0.000 0.885 388 Y N -1.232 119.128 120.300 0.101 0.000 2.519 388 Y HA 0.628 5.179 4.550 0.002 0.000 0.336 388 Y C -0.510 175.480 175.900 0.151 0.000 1.089 388 Y CA -1.141 57.031 58.100 0.121 0.000 1.025 388 Y CB 1.782 40.294 38.460 0.086 0.000 1.318 388 Y HN -0.251 nan 8.280 nan 0.000 0.452 389 A N 2.803 125.840 122.820 0.362 0.000 2.587 389 A HA 0.901 5.222 4.320 0.001 0.000 0.293 389 A C -1.592 176.157 177.584 0.275 0.000 1.087 389 A CA -0.753 51.462 52.037 0.298 0.000 0.692 389 A CB 1.417 20.628 19.000 0.352 0.000 1.291 389 A HN 0.780 nan 8.150 nan 0.000 0.407 390 I N -1.539 119.117 120.570 0.143 0.000 2.740 390 I HA 0.874 5.045 4.170 0.001 0.000 0.303 390 I C -0.384 175.776 176.117 0.072 0.000 1.044 390 I CA -0.644 60.720 61.300 0.107 0.000 1.064 390 I CB 2.355 40.379 38.000 0.040 0.000 1.249 390 I HN 0.494 nan 8.210 nan 0.000 0.433 391 S N 3.457 119.225 115.700 0.114 0.000 2.707 391 S HA 0.521 4.992 4.470 0.001 0.000 0.303 391 S C -1.005 173.588 174.600 -0.013 0.000 1.132 391 S CA -0.703 57.546 58.200 0.080 0.000 1.046 391 S CB 0.611 63.951 63.200 0.232 0.000 1.004 391 S HN 0.723 nan 8.310 nan 0.000 0.483 392 N N 2.395 121.036 118.700 -0.099 0.000 2.492 392 N HA 0.613 5.354 4.740 0.001 0.000 0.289 392 N C -0.627 174.577 175.510 -0.512 0.000 1.133 392 N CA -0.312 52.535 53.050 -0.338 0.000 0.961 392 N CB 1.761 40.025 38.487 -0.372 0.000 1.186 392 N HN 0.742 nan 8.380 nan 0.000 0.493 393 T N -1.846 112.199 114.554 -0.848 0.000 3.032 393 T HA 0.652 5.003 4.350 0.001 0.000 0.312 393 T C -1.114 172.867 174.700 -1.198 0.000 1.078 393 T CA -0.708 60.868 62.100 -0.874 0.000 1.028 393 T CB 0.017 68.689 68.868 -0.327 0.000 1.091 393 T HN 0.291 nan 8.240 nan 0.000 0.457 394 F N 1.541 120.886 119.950 -1.009 0.000 2.676 394 F HA 0.585 5.113 4.527 0.001 0.000 0.371 394 F C 0.968 176.485 175.800 -0.473 0.000 1.141 394 F CA -1.002 56.689 58.000 -0.516 0.000 1.133 394 F CB 1.507 40.314 39.000 -0.322 0.000 1.376 394 F HN 1.008 nan 8.300 nan 0.000 0.491 395 G N 1.037 109.787 108.800 -0.084 0.000 2.537 395 G HA2 0.431 4.392 3.960 0.001 0.000 0.273 395 G HA3 0.431 4.392 3.960 0.001 0.000 0.273 395 G C -0.488 174.468 174.900 0.093 0.000 1.189 395 G CA -0.528 44.563 45.100 -0.015 0.000 0.881 395 G HN 0.388 nan 8.290 nan 0.000 0.535 396 F N 0.200 120.321 119.950 0.286 0.000 2.607 396 F HA 0.304 4.832 4.527 0.002 0.000 0.374 396 F C 1.648 177.592 175.800 0.241 0.000 1.104 396 F CA 1.638 59.797 58.000 0.264 0.000 1.296 396 F CB 0.882 40.058 39.000 0.295 0.000 1.085 396 F HN 0.798 nan 8.300 nan 0.000 0.584 397 G N 1.004 109.984 108.800 0.300 0.000 2.195 397 G HA2 0.017 3.978 3.960 0.001 0.000 0.224 397 G HA3 0.017 3.978 3.960 0.001 0.000 0.224 397 G C 0.834 175.607 174.900 -0.211 0.000 0.990 397 G CA -0.140 44.988 45.100 0.048 0.000 0.639 397 G HN 1.800 nan 8.290 nan 0.000 0.514 398 G N -0.850 107.924 108.800 -0.044 0.000 2.137 398 G HA2 -0.214 3.747 3.960 0.001 0.000 0.237 398 G HA3 -0.214 3.747 3.960 0.001 0.000 0.237 398 G C -0.010 174.850 174.900 -0.066 0.000 1.002 398 G CA 0.815 45.900 45.100 -0.024 0.000 0.702 398 G HN 1.457 nan 8.290 nan 0.000 0.515 399 H N 1.305 120.440 119.070 0.108 0.000 2.934 399 H HA 0.393 4.949 4.556 0.001 0.000 0.273 399 H C 0.318 175.700 175.328 0.090 0.000 1.121 399 H CA -0.301 55.799 56.048 0.087 0.000 1.451 399 H CB 0.385 30.195 29.762 0.080 0.000 1.469 399 H HN 0.201 nan 8.280 nan 0.000 0.476 400 N N 2.285 121.113 118.700 0.214 0.000 2.421 400 N HA 0.539 5.280 4.740 0.001 0.000 0.285 400 N C -0.770 174.824 175.510 0.141 0.000 1.027 400 N CA -0.460 52.743 53.050 0.255 0.000 0.918 400 N CB 2.107 40.751 38.487 0.260 0.000 1.152 400 N HN 0.625 nan 8.380 nan 0.000 0.485 401 A N 1.491 124.342 122.820 0.052 0.000 2.427 401 A HA 0.644 4.965 4.320 0.001 0.000 0.298 401 A C -1.046 176.539 177.584 0.001 0.000 1.036 401 A CA -0.577 51.499 52.037 0.066 0.000 0.701 401 A CB 1.185 20.261 19.000 0.127 0.000 1.250 401 A HN 0.344 nan 8.150 nan 0.000 0.412 402 V N 3.199 123.152 119.914 0.065 0.000 2.638 402 V HA 0.488 4.609 4.120 0.001 0.000 0.306 402 V C -0.554 175.572 176.094 0.053 0.000 1.052 402 V CA -0.351 61.964 62.300 0.026 0.000 0.885 402 V CB 1.696 33.539 31.823 0.033 0.000 0.999 402 V HN 0.811 nan 8.190 nan 0.000 0.424 403 L N 3.780 124.976 121.223 -0.045 0.000 2.329 403 L HA 0.875 5.216 4.340 0.001 0.000 0.279 403 L C 0.179 176.826 176.870 -0.372 0.000 1.014 403 L CA -0.569 54.109 54.840 -0.270 0.000 0.814 403 L CB 1.937 43.720 42.059 -0.461 0.000 1.257 403 L HN 0.757 nan 8.230 nan 0.000 0.424 404 A N 3.574 126.124 122.820 -0.450 0.000 2.303 404 A HA 0.817 5.138 4.320 0.001 0.000 0.320 404 A C -1.144 176.206 177.584 -0.390 0.000 1.192 404 A CA -0.297 51.590 52.037 -0.250 0.000 0.821 404 A CB 0.473 19.414 19.000 -0.099 0.000 1.188 404 A HN 0.505 nan 8.150 nan 0.000 0.492 405 F N 0.887 120.878 119.950 0.069 0.000 2.556 405 F HA 0.641 5.168 4.527 0.001 0.000 0.327 405 F C 0.408 176.289 175.800 0.135 0.000 1.059 405 F CA -0.603 57.433 58.000 0.061 0.000 0.953 405 F CB 2.286 41.307 39.000 0.035 0.000 1.227 405 F HN 0.535 nan 8.300 nan 0.000 0.478 406 K N 2.056 122.609 120.400 0.256 0.000 2.376 406 K HA 0.425 4.746 4.320 0.001 0.000 0.257 406 K C -0.547 176.047 176.600 -0.009 0.000 0.939 406 K CA -0.845 55.414 56.287 -0.046 0.000 0.809 406 K CB 1.564 34.051 32.500 -0.021 0.000 1.121 406 K HN 0.744 nan 8.250 nan 0.000 0.425 407 R N 3.765 124.181 120.500 -0.140 0.000 2.623 407 R HA -0.027 4.314 4.340 0.001 0.000 0.271 407 R C -0.834 175.481 176.300 0.026 0.000 1.043 407 R CA -0.206 55.871 56.100 -0.037 0.000 1.083 407 R CB 0.516 30.759 30.300 -0.095 0.000 0.974 407 R HN 0.668 nan 8.270 nan 0.000 0.436 408 W N 4.327 125.581 121.300 -0.077 0.000 2.351 408 W HA 0.457 5.118 4.660 0.002 0.000 0.311 408 W C -1.183 175.300 176.519 -0.061 0.000 1.168 408 W CA -0.470 56.839 57.345 -0.059 0.000 1.200 408 W CB 1.211 30.648 29.460 -0.038 0.000 1.221 408 W HN 0.712 nan 8.180 nan 0.000 0.519 409 A N 0.000 122.273 122.820 -0.911 0.000 2.254 409 A HA 0.000 4.321 4.320 0.001 0.000 0.244 409 A CA 0.000 51.635 52.037 -0.670 0.000 0.836 409 A CB 0.000 18.694 19.000 -0.510 0.000 0.831 409 A HN 0.000 nan 8.150 nan 0.000 0.486