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 2jlo_1_A DATA FIRST_RESID 10 DATA SEQUENCE RSLLNPSNAP TRYAERSVGP FSLAAIWFAM AIQVAIFIAA GQMTSSFQVW DATA SEQUENCE QVIVAIAAGC TIAVILLFFT QSAAIRWGIN FTVAARMPFG IRGSLIPITL DATA SEQUENCE KALLSLFWFG FQTWLGALAL DEITRLLTGF TNLPLWIVIF GAIQVVTTFY DATA SEQUENCE GITFIRWMNV FASPVLLAMG VYMVYLMLDG ADVSLGEVMS MGGENPGMPF DATA SEQUENCE STAIMIFVGG WIAVVVSIHD IVKECKVDPN ASREGQTKAD ARYATAQWLG DATA SEQUENCE MVPASIIFGF IGAASMVLVG EWNPVIAITE VVGGVSIPMA ILFQVFVLLA DATA SEQUENCE TWSTNPAANL LSPAYTLCST FPRVFTFKTG VIVSAVVGLL MMPWQFAGVL DATA SEQUENCE NTFLNLLASA LGPLAGIMIS DYFLVRRRRI SLHDLYRTKG IYTYWRGVNW DATA SEQUENCE VALAVYAVAL AVSFLTPDLM FVTGLIAALL LHIPAMRWVA KTFPLFSEAE DATA SEQUENCE SRNEDYLRPI GP 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 10 R HA 0.000 nan 4.340 nan 0.000 0.208 10 R C 0.000 176.301 176.300 0.002 0.000 0.893 10 R CA 0.000 56.104 56.100 0.006 0.000 0.921 10 R CB 0.000 30.306 30.300 0.010 0.000 0.687 11 S N 1.073 116.783 115.700 0.015 0.000 2.593 11 S HA 0.589 5.067 4.470 0.015 0.000 0.297 11 S C -0.030 174.600 174.600 0.051 0.000 1.112 11 S CA -0.662 57.554 58.200 0.027 0.000 1.043 11 S CB 1.095 64.314 63.200 0.031 0.000 1.054 11 S HN 0.475 nan 8.310 nan 0.000 0.516 12 L N 3.617 124.896 121.223 0.092 0.000 3.122 12 L HA 0.466 4.815 4.340 0.015 0.000 0.274 12 L C 0.033 177.046 176.870 0.237 0.000 1.222 12 L CA -0.059 54.847 54.840 0.110 0.000 1.028 12 L CB 0.330 42.405 42.059 0.027 0.000 1.386 12 L HN 0.436 nan 8.230 nan 0.000 0.578 13 L N 1.707 123.066 121.223 0.226 0.000 2.399 13 L HA 0.484 4.833 4.340 0.015 0.000 0.266 13 L C -0.548 176.403 176.870 0.135 0.000 1.114 13 L CA -0.225 54.736 54.840 0.202 0.000 0.804 13 L CB 1.372 43.406 42.059 -0.041 0.000 1.146 13 L HN 0.376 nan 8.230 nan 0.000 0.451 14 N N 2.897 121.680 118.700 0.139 0.000 2.710 14 N HA 0.296 5.044 4.740 0.015 0.000 0.257 14 N C -2.415 173.171 175.510 0.127 0.000 1.140 14 N CA -1.094 52.028 53.050 0.120 0.000 0.953 14 N CB 1.481 40.049 38.487 0.135 0.000 1.664 14 N HN 0.217 nan 8.380 nan 0.000 0.497 15 P HA -0.317 nan 4.420 nan 0.000 0.224 15 P C 0.520 177.906 177.300 0.143 0.000 1.154 15 P CA 1.720 64.883 63.100 0.105 0.000 0.868 15 P CB 0.194 31.950 31.700 0.093 0.000 0.782 16 S N -0.069 115.747 115.700 0.192 0.000 2.412 16 S HA -0.051 4.428 4.470 0.015 0.000 0.223 16 S C 1.586 176.347 174.600 0.269 0.000 1.048 16 S CA 0.986 59.350 58.200 0.274 0.000 0.954 16 S CB -0.828 62.584 63.200 0.353 0.000 0.840 16 S HN 0.385 nan 8.310 nan 0.000 0.503 17 N N 2.422 121.271 118.700 0.247 0.000 2.521 17 N HA 0.177 4.926 4.740 0.015 0.000 0.188 17 N C 0.205 175.881 175.510 0.277 0.000 1.146 17 N CA 0.409 53.590 53.050 0.218 0.000 0.893 17 N CB -0.297 38.313 38.487 0.205 0.000 0.975 17 N HN 0.284 nan 8.380 nan 0.000 0.451 18 A N 0.885 123.819 122.820 0.190 0.000 2.425 18 A HA 0.401 4.730 4.320 0.015 0.000 0.249 18 A C -2.052 175.565 177.584 0.055 0.000 1.084 18 A CA -1.089 50.991 52.037 0.073 0.000 0.781 18 A CB -0.253 18.756 19.000 0.016 0.000 1.019 18 A HN 0.212 nan 8.150 nan 0.000 0.490 19 P HA 0.097 nan 4.420 nan 0.000 0.270 19 P C -0.245 177.042 177.300 -0.021 0.000 1.221 19 P CA 0.366 63.467 63.100 0.001 0.000 0.788 19 P CB 0.311 31.995 31.700 -0.027 0.000 0.904 20 T N 2.202 116.725 114.554 -0.051 0.000 2.756 20 T HA 0.309 4.668 4.350 0.015 0.000 0.290 20 T C 0.216 174.859 174.700 -0.095 0.000 0.985 20 T CA -0.617 61.454 62.100 -0.049 0.000 0.955 20 T CB 0.259 69.099 68.868 -0.048 0.000 0.930 20 T HN 0.222 nan 8.240 nan 0.000 0.451 21 R N 2.002 122.462 120.500 -0.067 0.000 2.698 21 R HA 0.066 4.415 4.340 0.015 0.000 0.266 21 R C 0.762 177.027 176.300 -0.059 0.000 1.026 21 R CA -0.069 55.971 56.100 -0.100 0.000 1.102 21 R CB 0.240 30.544 30.300 0.008 0.000 0.978 21 R HN 0.642 nan 8.270 nan 0.000 0.436 22 Y N 1.516 121.845 120.300 0.048 0.000 2.062 22 Y HA -0.336 4.222 4.550 0.014 0.000 0.276 22 Y C 2.369 178.288 175.900 0.031 0.000 1.189 22 Y CA 2.039 60.158 58.100 0.032 0.000 1.130 22 Y CB -0.642 37.834 38.460 0.027 0.000 0.959 22 Y HN 0.772 nan 8.280 nan 0.000 0.499 23 A N -0.371 122.570 122.820 0.202 0.000 2.225 23 A HA -0.157 4.172 4.320 0.015 0.000 0.215 23 A C 1.875 179.516 177.584 0.094 0.000 1.164 23 A CA 1.577 53.689 52.037 0.125 0.000 0.710 23 A CB -0.602 18.459 19.000 0.102 0.000 0.780 23 A HN 0.622 nan 8.150 nan 0.000 0.473 24 E N -0.639 119.611 120.200 0.083 0.000 2.364 24 E HA 0.034 4.393 4.350 0.015 0.000 0.196 24 E C 0.187 176.821 176.600 0.057 0.000 0.990 24 E CA -0.432 56.007 56.400 0.064 0.000 0.886 24 E CB 0.187 29.915 29.700 0.047 0.000 0.866 24 E HN 0.317 nan 8.360 nan 0.000 0.493 25 R N 1.167 121.702 120.500 0.059 0.000 2.638 25 R HA 0.003 4.352 4.340 0.015 0.000 0.268 25 R C 0.485 176.816 176.300 0.052 0.000 1.006 25 R CA 0.486 56.616 56.100 0.049 0.000 1.088 25 R CB 0.314 30.659 30.300 0.074 0.000 0.950 25 R HN 0.099 nan 8.270 nan 0.000 0.419 26 S N -0.557 115.163 115.700 0.034 0.000 2.612 26 S HA 0.241 4.720 4.470 0.015 0.000 0.203 26 S C -0.778 173.818 174.600 -0.006 0.000 0.965 26 S CA -0.786 57.429 58.200 0.025 0.000 1.157 26 S CB 0.163 63.382 63.200 0.032 0.000 1.526 26 S HN 0.165 nan 8.310 nan 0.000 0.423 27 V N 1.321 121.247 119.914 0.019 0.000 2.498 27 V HA 0.731 4.860 4.120 0.015 0.000 0.283 27 V C 0.691 176.857 176.094 0.119 0.000 1.015 27 V CA -0.210 62.097 62.300 0.012 0.000 0.867 27 V CB 1.193 32.991 31.823 -0.041 0.000 1.025 27 V HN 0.675 nan 8.190 nan 0.000 0.441 28 G N 4.230 113.094 108.800 0.107 0.000 2.420 28 G HA2 0.500 4.469 3.960 0.015 0.000 0.284 28 G HA3 0.500 4.469 3.960 0.015 0.000 0.284 28 G C -1.563 173.470 174.900 0.222 0.000 1.177 28 G CA -1.399 43.800 45.100 0.164 0.000 0.841 28 G HN 0.541 nan 8.290 nan 0.000 0.527 29 P HA -0.221 nan 4.420 nan 0.000 0.219 29 P C 1.352 178.742 177.300 0.150 0.000 1.145 29 P CA 0.845 64.077 63.100 0.221 0.000 0.813 29 P CB 0.107 31.812 31.700 0.008 0.000 0.771 30 F N -0.197 119.763 119.950 0.018 0.000 2.053 30 F HA -0.097 4.439 4.527 0.015 0.000 0.292 30 F C 2.362 178.148 175.800 -0.024 0.000 1.125 30 F CA 1.610 59.600 58.000 -0.015 0.000 1.193 30 F CB -1.018 37.953 39.000 -0.048 0.000 0.996 30 F HN -0.223 nan 8.300 nan 0.000 0.470 31 S N 0.853 116.447 115.700 -0.176 0.000 2.368 31 S HA -0.249 4.230 4.470 0.015 0.000 0.226 31 S C 1.981 176.433 174.600 -0.247 0.000 1.044 31 S CA 1.699 59.701 58.200 -0.329 0.000 1.062 31 S CB -0.957 62.154 63.200 -0.149 0.000 0.931 31 S HN 0.454 nan 8.310 nan 0.000 0.440 32 L N 1.262 122.438 121.223 -0.079 0.000 2.197 32 L HA -0.145 4.204 4.340 0.015 0.000 0.215 32 L C 2.085 178.982 176.870 0.045 0.000 1.095 32 L CA 1.953 56.792 54.840 -0.001 0.000 0.764 32 L CB -0.656 41.423 42.059 0.032 0.000 0.897 32 L HN 0.306 nan 8.230 nan 0.000 0.436 33 A N -1.469 121.313 122.820 -0.064 0.000 2.081 33 A HA 0.285 4.614 4.320 0.015 0.000 0.214 33 A C 2.246 179.802 177.584 -0.047 0.000 1.158 33 A CA 0.779 52.800 52.037 -0.028 0.000 0.724 33 A CB -0.626 18.335 19.000 -0.066 0.000 0.826 33 A HN 0.445 nan 8.150 nan 0.000 0.463 34 A N -0.436 122.241 122.820 -0.240 0.000 2.235 34 A HA 0.263 4.592 4.320 0.015 0.000 0.208 34 A C 1.682 179.201 177.584 -0.108 0.000 1.172 34 A CA 0.749 52.642 52.037 -0.239 0.000 0.786 34 A CB -0.485 18.223 19.000 -0.486 0.000 0.804 34 A HN 0.492 nan 8.150 nan 0.000 0.479 35 I N -3.763 116.772 120.570 -0.059 0.000 3.265 35 I HA -0.024 4.155 4.170 0.015 0.000 0.282 35 I C 1.767 177.810 176.117 -0.123 0.000 1.207 35 I CA 0.296 61.541 61.300 -0.092 0.000 1.449 35 I CB -0.007 37.941 38.000 -0.086 0.000 1.121 35 I HN 0.428 nan 8.210 nan 0.000 0.442 36 W N 0.114 121.334 121.300 -0.133 0.000 2.942 36 W HA 0.117 4.787 4.660 0.017 0.000 0.263 36 W C 2.154 178.559 176.519 -0.191 0.000 1.296 36 W CA -0.032 57.199 57.345 -0.190 0.000 1.504 36 W CB -0.176 29.144 29.460 -0.232 0.000 1.096 36 W HN 0.004 nan 8.180 nan 0.000 0.639 37 F N 1.252 121.190 119.950 -0.021 0.000 2.060 37 F HA -0.107 4.428 4.527 0.013 0.000 0.295 37 F C 2.275 177.991 175.800 -0.140 0.000 1.120 37 F CA 2.552 60.506 58.000 -0.076 0.000 1.205 37 F CB -0.751 38.208 39.000 -0.067 0.000 0.986 37 F HN -0.166 nan 8.300 nan 0.000 0.470 38 A N 0.941 123.746 122.820 -0.025 0.000 1.835 38 A HA -0.251 4.078 4.320 0.015 0.000 0.215 38 A C 2.347 179.762 177.584 -0.281 0.000 1.199 38 A CA 1.703 53.637 52.037 -0.172 0.000 0.615 38 A CB -1.290 17.700 19.000 -0.017 0.000 0.838 38 A HN 0.595 nan 8.150 nan 0.000 0.444 39 M N -0.260 119.210 119.600 -0.216 0.000 2.604 39 M HA -0.238 4.251 4.480 0.015 0.000 0.256 39 M C 1.738 177.959 176.300 -0.132 0.000 1.078 39 M CA 1.507 56.677 55.300 -0.217 0.000 1.037 39 M CB -0.193 32.184 32.600 -0.372 0.000 1.376 39 M HN 0.481 nan 8.290 nan 0.000 0.485 40 A N 0.907 123.591 122.820 -0.226 0.000 1.887 40 A HA 0.157 4.486 4.320 0.015 0.000 0.212 40 A C 1.137 178.625 177.584 -0.162 0.000 1.198 40 A CA 0.486 52.469 52.037 -0.090 0.000 0.628 40 A CB -0.454 18.360 19.000 -0.311 0.000 0.847 40 A HN 0.717 nan 8.150 nan 0.000 0.449 41 I N -0.685 119.572 120.570 -0.522 0.000 2.471 41 I HA 0.480 4.659 4.170 0.015 0.000 0.286 41 I C -0.791 175.058 176.117 -0.446 0.000 1.079 41 I CA -0.234 60.625 61.300 -0.735 0.000 1.398 41 I CB 0.594 37.651 38.000 -1.570 0.000 1.403 41 I HN 0.577 nan 8.210 nan 0.000 0.530 42 Q N 3.209 122.783 119.800 -0.378 0.000 2.774 42 Q HA 0.159 4.508 4.340 0.015 0.000 0.232 42 Q C -0.306 175.587 176.000 -0.179 0.000 0.985 42 Q CA -0.893 54.778 55.803 -0.221 0.000 1.058 42 Q CB 1.090 29.729 28.738 -0.165 0.000 1.789 42 Q HN 0.377 nan 8.270 nan 0.000 0.487 43 V N 1.489 121.430 119.914 0.046 0.000 2.356 43 V HA -0.460 3.669 4.120 0.015 0.000 0.267 43 V C 2.394 178.537 176.094 0.083 0.000 1.133 43 V CA 3.122 65.589 62.300 0.279 0.000 1.116 43 V CB -1.255 30.741 31.823 0.288 0.000 0.735 43 V HN 0.933 nan 8.190 nan 0.000 0.455 44 A N -0.643 122.137 122.820 -0.066 0.000 1.873 44 A HA -0.248 4.081 4.320 0.015 0.000 0.218 44 A C 2.217 179.653 177.584 -0.246 0.000 1.193 44 A CA 2.198 54.105 52.037 -0.218 0.000 0.629 44 A CB -0.547 18.218 19.000 -0.391 0.000 0.826 44 A HN 0.468 nan 8.150 nan 0.000 0.447 45 I N -1.126 119.309 120.570 -0.226 0.000 2.850 45 I HA -0.145 4.034 4.170 0.015 0.000 0.266 45 I C 1.737 177.882 176.117 0.046 0.000 1.257 45 I CA 1.175 62.411 61.300 -0.106 0.000 1.465 45 I CB -0.707 37.248 38.000 -0.074 0.000 1.091 45 I HN 0.460 nan 8.210 nan 0.000 0.467 46 F N 0.196 120.180 119.950 0.057 0.000 2.270 46 F HA -0.102 4.433 4.527 0.014 0.000 0.295 46 F C 2.368 178.148 175.800 -0.032 0.000 1.087 46 F CA 0.466 58.537 58.000 0.119 0.000 1.365 46 F CB 0.093 39.244 39.000 0.251 0.000 1.056 46 F HN -0.064 nan 8.300 nan 0.000 0.506 47 I N 0.073 120.558 120.570 -0.141 0.000 2.094 47 I HA -0.300 3.879 4.170 0.015 0.000 0.234 47 I C 2.781 178.722 176.117 -0.295 0.000 1.063 47 I CA 1.115 62.086 61.300 -0.547 0.000 1.328 47 I CB -0.880 36.684 38.000 -0.728 0.000 1.058 47 I HN 0.076 nan 8.210 nan 0.000 0.400 48 A N 1.173 123.798 122.820 -0.326 0.000 1.883 48 A HA -0.387 3.942 4.320 0.015 0.000 0.222 48 A C 2.392 179.905 177.584 -0.118 0.000 1.339 48 A CA 2.976 54.773 52.037 -0.400 0.000 0.692 48 A CB -1.417 17.105 19.000 -0.796 0.000 0.845 48 A HN 0.547 nan 8.150 nan 0.000 0.467 49 A N -1.308 121.597 122.820 0.142 0.000 2.234 49 A HA 0.211 4.540 4.320 0.015 0.000 0.216 49 A C 2.074 179.791 177.584 0.221 0.000 1.167 49 A CA 1.908 54.153 52.037 0.346 0.000 0.698 49 A CB -1.078 18.173 19.000 0.418 0.000 0.779 49 A HN 0.885 nan 8.150 nan 0.000 0.475 50 G N -1.100 107.787 108.800 0.145 0.000 2.615 50 G HA2 -0.065 3.904 3.960 0.015 0.000 0.213 50 G HA3 -0.065 3.904 3.960 0.015 0.000 0.213 50 G C 1.305 176.275 174.900 0.117 0.000 1.215 50 G CA 0.515 45.719 45.100 0.173 0.000 0.843 50 G HN 0.532 nan 8.290 nan 0.000 0.571 51 Q N -0.210 119.617 119.800 0.044 0.000 2.576 51 Q HA 0.028 4.377 4.340 0.015 0.000 0.218 51 Q C 2.437 178.452 176.000 0.025 0.000 0.983 51 Q CA 0.365 56.177 55.803 0.015 0.000 0.920 51 Q CB -0.124 28.572 28.738 -0.070 0.000 0.973 51 Q HN 0.323 nan 8.270 nan 0.000 0.528 52 M N -0.132 119.516 119.600 0.080 0.000 2.123 52 M HA -0.119 4.370 4.480 0.015 0.000 0.263 52 M C 2.461 178.861 176.300 0.167 0.000 1.069 52 M CA 1.933 57.334 55.300 0.167 0.000 1.133 52 M CB -1.295 31.465 32.600 0.267 0.000 1.356 52 M HN 0.328 nan 8.290 nan 0.000 0.415 53 T N -1.909 112.727 114.554 0.137 0.000 2.896 53 T HA -0.155 4.204 4.350 0.015 0.000 0.270 53 T C 1.948 176.675 174.700 0.045 0.000 1.104 53 T CA 1.829 63.990 62.100 0.102 0.000 1.115 53 T CB -0.581 68.338 68.868 0.086 0.000 0.843 53 T HN 0.357 nan 8.240 nan 0.000 0.523 54 S N 1.489 117.203 115.700 0.024 0.000 2.349 54 S HA -0.118 4.361 4.470 0.015 0.000 0.216 54 S C 2.216 176.753 174.600 -0.105 0.000 1.033 54 S CA 1.614 59.799 58.200 -0.025 0.000 1.021 54 S CB -0.875 62.312 63.200 -0.023 0.000 0.968 54 S HN 0.627 nan 8.310 nan 0.000 0.426 55 S N 0.174 115.761 115.700 -0.189 0.000 2.562 55 S HA 0.365 4.844 4.470 0.015 0.000 0.221 55 S C -0.268 173.747 174.600 -0.976 0.000 0.975 55 S CA 0.066 57.953 58.200 -0.522 0.000 0.918 55 S CB -0.205 62.648 63.200 -0.579 0.000 0.772 55 S HN 0.499 nan 8.310 nan 0.000 0.531 56 F N 0.327 120.267 119.950 -0.017 0.000 2.869 56 F HA 0.444 4.986 4.527 0.026 0.000 0.325 56 F C -0.143 175.592 175.800 -0.107 0.000 1.184 56 F CA -1.299 56.652 58.000 -0.081 0.000 0.951 56 F CB 0.788 39.733 39.000 -0.090 0.000 1.421 56 F HN -0.269 nan 8.300 nan 0.000 0.501 57 Q N 0.263 120.066 119.800 0.006 0.000 2.214 57 Q HA 0.395 4.744 4.340 0.015 0.000 0.251 57 Q C 0.778 176.741 176.000 -0.061 0.000 0.936 57 Q CA -0.655 55.106 55.803 -0.070 0.000 0.894 57 Q CB 2.313 30.949 28.738 -0.170 0.000 1.252 57 Q HN 0.493 nan 8.270 nan 0.000 0.448 58 V N 2.076 122.044 119.914 0.090 0.000 2.236 58 V HA -0.327 3.802 4.120 0.015 0.000 0.255 58 V C 2.000 178.210 176.094 0.192 0.000 1.068 58 V CA 2.665 65.076 62.300 0.186 0.000 1.044 58 V CB -0.866 31.124 31.823 0.279 0.000 0.653 58 V HN 0.992 nan 8.190 nan 0.000 0.448 59 W N 0.337 121.714 121.300 0.128 0.000 2.350 59 W HA -0.201 4.457 4.660 -0.003 0.000 0.289 59 W C 1.873 178.429 176.519 0.060 0.000 1.215 59 W CA 1.383 58.770 57.345 0.071 0.000 1.236 59 W CB -0.972 28.506 29.460 0.029 0.000 1.130 59 W HN 0.332 nan 8.180 nan 0.000 0.541 60 Q N 0.837 120.203 119.800 -0.723 0.000 2.230 60 Q HA -0.097 4.252 4.340 0.015 0.000 0.202 60 Q C 2.491 178.376 176.000 -0.191 0.000 0.963 60 Q CA 1.608 56.942 55.803 -0.782 0.000 0.866 60 Q CB -0.028 28.084 28.738 -1.044 0.000 0.931 60 Q HN 0.236 nan 8.270 nan 0.000 0.452 61 V N 0.858 120.740 119.914 -0.054 0.000 2.379 61 V HA -0.223 3.906 4.120 0.015 0.000 0.245 61 V C 2.194 178.266 176.094 -0.036 0.000 1.044 61 V CA 1.014 63.335 62.300 0.034 0.000 1.036 61 V CB -0.401 31.517 31.823 0.157 0.000 0.664 61 V HN 0.308 nan 8.190 nan 0.000 0.453 62 I N 0.498 121.094 120.570 0.044 0.000 2.069 62 I HA -0.209 3.970 4.170 0.015 0.000 0.237 62 I C 2.400 178.521 176.117 0.006 0.000 1.053 62 I CA 1.752 63.072 61.300 0.033 0.000 1.311 62 I CB -1.163 36.909 38.000 0.120 0.000 1.030 62 I HN 0.160 nan 8.210 nan 0.000 0.398 63 V N 1.276 121.265 119.914 0.124 0.000 3.186 63 V HA -0.163 3.966 4.120 0.015 0.000 0.270 63 V C 2.441 178.664 176.094 0.215 0.000 1.149 63 V CA 1.232 63.652 62.300 0.199 0.000 1.160 63 V CB -0.977 31.034 31.823 0.313 0.000 0.758 63 V HN 0.463 nan 8.190 nan 0.000 0.516 64 A N -0.102 122.740 122.820 0.037 0.000 1.943 64 A HA 0.060 4.389 4.320 0.015 0.000 0.213 64 A C 2.032 179.370 177.584 -0.410 0.000 1.181 64 A CA 0.816 52.698 52.037 -0.259 0.000 0.653 64 A CB -0.177 18.682 19.000 -0.235 0.000 0.833 64 A HN 0.459 nan 8.150 nan 0.000 0.451 65 I N 0.015 120.226 120.570 -0.599 0.000 2.094 65 I HA -0.215 3.964 4.170 0.015 0.000 0.234 65 I C 2.992 178.916 176.117 -0.322 0.000 1.063 65 I CA 1.072 61.869 61.300 -0.840 0.000 1.328 65 I CB -0.668 36.866 38.000 -0.777 0.000 1.058 65 I HN 0.292 nan 8.210 nan 0.000 0.400 66 A N 1.038 123.749 122.820 -0.182 0.000 1.915 66 A HA -0.336 3.993 4.320 0.015 0.000 0.220 66 A C 2.502 180.089 177.584 0.004 0.000 1.198 66 A CA 2.706 54.703 52.037 -0.068 0.000 0.647 66 A CB -1.202 17.809 19.000 0.018 0.000 0.825 66 A HN 0.540 nan 8.150 nan 0.000 0.456 67 A N -0.950 121.868 122.820 -0.003 0.000 1.933 67 A HA 0.123 4.452 4.320 0.015 0.000 0.218 67 A C 2.414 180.007 177.584 0.016 0.000 1.175 67 A CA 2.046 54.098 52.037 0.024 0.000 0.628 67 A CB -1.340 17.646 19.000 -0.023 0.000 0.814 67 A HN 0.816 nan 8.150 nan 0.000 0.444 68 G N -0.892 107.891 108.800 -0.028 0.000 2.414 68 G HA2 -0.230 3.739 3.960 0.015 0.000 0.215 68 G HA3 -0.230 3.739 3.960 0.015 0.000 0.215 68 G C 1.620 176.581 174.900 0.100 0.000 1.188 68 G CA 1.195 46.335 45.100 0.067 0.000 0.783 68 G HN 0.495 nan 8.290 nan 0.000 0.537 69 C N 0.505 119.820 119.300 0.025 0.000 2.359 69 C HA -0.129 4.340 4.460 0.015 0.000 0.279 69 C C 3.208 178.208 174.990 0.016 0.000 1.191 69 C CA 1.851 60.827 59.018 -0.070 0.000 1.764 69 C CB -1.225 26.354 27.740 -0.270 0.000 2.026 69 C HN 0.490 nan 8.230 nan 0.000 0.442 70 T N 1.187 115.826 114.554 0.142 0.000 2.668 70 T HA -0.266 4.093 4.350 0.015 0.000 0.265 70 T C 1.383 176.177 174.700 0.156 0.000 1.041 70 T CA 2.122 64.398 62.100 0.292 0.000 1.160 70 T CB -0.511 68.542 68.868 0.309 0.000 0.857 70 T HN 0.533 nan 8.240 nan 0.000 0.455 71 I N 0.710 121.359 120.570 0.131 0.000 2.700 71 I HA -0.136 4.043 4.170 0.015 0.000 0.261 71 I C 2.554 178.774 176.117 0.170 0.000 1.219 71 I CA 0.618 62.003 61.300 0.140 0.000 1.463 71 I CB -0.412 37.687 38.000 0.164 0.000 1.092 71 I HN 0.240 nan 8.210 nan 0.000 0.452 72 A N 0.638 123.542 122.820 0.139 0.000 1.844 72 A HA -0.059 4.270 4.320 0.015 0.000 0.212 72 A C 2.358 179.981 177.584 0.065 0.000 1.221 72 A CA 0.880 52.995 52.037 0.129 0.000 0.607 72 A CB -0.921 18.114 19.000 0.059 0.000 0.878 72 A HN 0.109 nan 8.150 nan 0.000 0.451 73 V N 0.775 120.684 119.914 -0.008 0.000 2.250 73 V HA -0.372 3.757 4.120 0.015 0.000 0.253 73 V C 2.453 178.565 176.094 0.031 0.000 1.065 73 V CA 2.453 64.739 62.300 -0.024 0.000 1.039 73 V CB -0.874 31.009 31.823 0.100 0.000 0.647 73 V HN 0.563 nan 8.190 nan 0.000 0.446 74 I N -0.976 119.610 120.570 0.028 0.000 2.208 74 I HA -0.283 3.896 4.170 0.015 0.000 0.245 74 I C 2.384 178.521 176.117 0.033 0.000 1.097 74 I CA 1.632 62.904 61.300 -0.047 0.000 1.363 74 I CB -0.232 37.736 38.000 -0.053 0.000 1.051 74 I HN 0.301 nan 8.210 nan 0.000 0.413 75 L N 0.230 121.537 121.223 0.140 0.000 2.141 75 L HA -0.201 4.148 4.340 0.015 0.000 0.209 75 L C 2.441 179.472 176.870 0.269 0.000 1.094 75 L CA 1.177 56.166 54.840 0.249 0.000 0.763 75 L CB -0.084 42.153 42.059 0.297 0.000 0.908 75 L HN 0.268 nan 8.230 nan 0.000 0.437 76 L N -1.633 119.699 121.223 0.183 0.000 2.093 76 L HA -0.250 4.099 4.340 0.015 0.000 0.208 76 L C 2.444 179.417 176.870 0.171 0.000 1.085 76 L CA 1.000 55.933 54.840 0.155 0.000 0.755 76 L CB -0.678 41.397 42.059 0.027 0.000 0.904 76 L HN 0.198 nan 8.230 nan 0.000 0.435 77 F N 0.329 120.245 119.950 -0.056 0.000 2.236 77 F HA -0.263 4.276 4.527 0.019 0.000 0.302 77 F C 1.823 177.662 175.800 0.066 0.000 1.073 77 F CA 1.574 59.501 58.000 -0.122 0.000 1.336 77 F CB -0.207 38.564 39.000 -0.381 0.000 1.040 77 F HN -0.064 nan 8.300 nan 0.000 0.507 78 F N -1.167 119.097 119.950 0.523 0.000 2.678 78 F HA 0.005 4.541 4.527 0.015 0.000 0.291 78 F C 2.389 178.462 175.800 0.455 0.000 1.123 78 F CA 0.554 58.954 58.000 0.667 0.000 1.395 78 F CB -0.220 39.099 39.000 0.531 0.000 1.121 78 F HN -0.017 nan 8.300 nan 0.000 0.592 79 T N -2.277 112.547 114.554 0.450 0.000 3.044 79 T HA -0.102 4.257 4.350 0.015 0.000 0.255 79 T C 1.674 176.399 174.700 0.040 0.000 1.073 79 T CA 0.694 62.972 62.100 0.296 0.000 1.125 79 T CB -0.261 68.810 68.868 0.338 0.000 0.908 79 T HN 0.432 nan 8.240 nan 0.000 0.480 80 Q N 0.966 120.769 119.800 0.005 0.000 2.212 80 Q HA 0.113 4.462 4.340 0.015 0.000 0.199 80 Q C 2.456 178.323 176.000 -0.222 0.000 0.950 80 Q CA 1.261 56.965 55.803 -0.165 0.000 0.863 80 Q CB -0.568 28.107 28.738 -0.105 0.000 0.944 80 Q HN 0.431 nan 8.270 nan 0.000 0.465 81 S N 0.826 116.438 115.700 -0.145 0.000 2.387 81 S HA -0.172 4.307 4.470 0.015 0.000 0.230 81 S C 2.014 176.429 174.600 -0.308 0.000 1.035 81 S CA 1.296 59.404 58.200 -0.153 0.000 1.014 81 S CB -0.467 62.721 63.200 -0.021 0.000 0.836 81 S HN 0.605 nan 8.310 nan 0.000 0.466 82 A N 0.295 122.706 122.820 -0.682 0.000 2.121 82 A HA 0.338 4.667 4.320 0.015 0.000 0.218 82 A C 2.162 179.505 177.584 -0.400 0.000 1.154 82 A CA 1.602 53.036 52.037 -1.005 0.000 0.679 82 A CB -0.776 17.388 19.000 -1.394 0.000 0.795 82 A HN 0.688 nan 8.150 nan 0.000 0.458 83 A N 0.167 122.753 122.820 -0.389 0.000 1.884 83 A HA 0.183 4.512 4.320 0.015 0.000 0.212 83 A C 1.916 179.386 177.584 -0.189 0.000 1.265 83 A CA 0.834 52.695 52.037 -0.292 0.000 0.626 83 A CB -0.596 18.148 19.000 -0.427 0.000 0.943 83 A HN 0.366 nan 8.150 nan 0.000 0.466 84 I N -0.457 120.000 120.570 -0.188 0.000 2.229 84 I HA -0.327 3.852 4.170 0.015 0.000 0.250 84 I C 2.736 178.794 176.117 -0.099 0.000 1.096 84 I CA 1.599 62.832 61.300 -0.112 0.000 1.358 84 I CB -0.456 37.524 38.000 -0.034 0.000 1.047 84 I HN 0.283 nan 8.210 nan 0.000 0.422 85 R N 0.786 121.170 120.500 -0.193 0.000 2.054 85 R HA -0.118 4.231 4.340 0.015 0.000 0.223 85 R C 2.036 178.109 176.300 -0.377 0.000 1.176 85 R CA 1.875 57.759 56.100 -0.360 0.000 0.934 85 R CB -0.776 29.134 30.300 -0.649 0.000 0.828 85 R HN 0.391 nan 8.270 nan 0.000 0.441 86 W N 0.439 121.719 121.300 -0.032 0.000 2.678 86 W HA 0.212 4.881 4.660 0.015 0.000 0.256 86 W C 0.810 177.247 176.519 -0.136 0.000 1.280 86 W CA 0.378 57.680 57.345 -0.072 0.000 1.345 86 W CB -0.269 29.157 29.460 -0.057 0.000 1.118 86 W HN 0.433 nan 8.180 nan 0.000 0.629 87 G N 2.622 111.433 108.800 0.019 0.000 2.434 87 G HA2 -0.195 3.774 3.960 0.015 0.000 0.224 87 G HA3 -0.195 3.774 3.960 0.015 0.000 0.224 87 G C -0.457 174.428 174.900 -0.026 0.000 0.807 87 G CA 0.211 45.283 45.100 -0.047 0.000 1.113 87 G HN 0.456 nan 8.290 nan 0.000 0.327 88 I N -1.546 119.004 120.570 -0.033 0.000 3.264 88 I HA 0.756 4.935 4.170 0.015 0.000 0.315 88 I C -0.209 175.868 176.117 -0.066 0.000 1.154 88 I CA -1.924 59.354 61.300 -0.036 0.000 0.962 88 I CB 2.233 40.218 38.000 -0.025 0.000 1.265 88 I HN 0.292 nan 8.210 nan 0.000 0.463 89 N N 1.289 119.911 118.700 -0.129 0.000 2.434 89 N HA 0.200 4.949 4.740 0.015 0.000 0.272 89 N C 0.334 175.782 175.510 -0.104 0.000 1.040 89 N CA -0.400 52.538 53.050 -0.186 0.000 0.956 89 N CB 0.810 39.118 38.487 -0.298 0.000 1.108 89 N HN 0.732 nan 8.380 nan 0.000 0.481 90 F N 3.327 123.184 119.950 -0.154 0.000 2.037 90 F HA -0.337 4.199 4.527 0.015 0.000 0.296 90 F C 1.786 177.405 175.800 -0.302 0.000 1.132 90 F CA 2.344 60.132 58.000 -0.354 0.000 1.211 90 F CB -0.950 37.886 39.000 -0.273 0.000 0.951 90 F HN 0.528 nan 8.300 nan 0.000 0.503 91 T N 0.242 114.685 114.554 -0.185 0.000 3.093 91 T HA -0.137 4.222 4.350 0.015 0.000 0.270 91 T C 1.745 176.197 174.700 -0.412 0.000 1.170 91 T CA 0.987 62.904 62.100 -0.305 0.000 1.072 91 T CB -0.586 68.257 68.868 -0.042 0.000 0.863 91 T HN 0.222 nan 8.240 nan 0.000 0.562 92 V N 0.721 120.376 119.914 -0.432 0.000 2.490 92 V HA 0.095 4.224 4.120 0.015 0.000 0.238 92 V C 2.781 178.594 176.094 -0.468 0.000 1.056 92 V CA 0.996 63.020 62.300 -0.460 0.000 1.075 92 V CB -1.259 30.289 31.823 -0.458 0.000 0.746 92 V HN 0.444 nan 8.190 nan 0.000 0.479 93 A N 0.966 123.520 122.820 -0.443 0.000 1.870 93 A HA -0.332 3.997 4.320 0.015 0.000 0.219 93 A C 2.368 179.729 177.584 -0.372 0.000 1.224 93 A CA 3.069 54.883 52.037 -0.373 0.000 0.650 93 A CB -1.334 17.483 19.000 -0.304 0.000 0.836 93 A HN 0.776 nan 8.150 nan 0.000 0.454 94 A N -0.741 121.774 122.820 -0.508 0.000 2.214 94 A HA -0.236 4.093 4.320 0.015 0.000 0.221 94 A C 1.984 179.502 177.584 -0.110 0.000 1.167 94 A CA 1.783 53.643 52.037 -0.295 0.000 0.670 94 A CB -0.614 18.068 19.000 -0.531 0.000 0.797 94 A HN 0.618 nan 8.150 nan 0.000 0.477 95 R N -1.840 118.519 120.500 -0.236 0.000 2.328 95 R HA 0.194 4.543 4.340 0.015 0.000 0.200 95 R C 1.611 177.829 176.300 -0.137 0.000 0.983 95 R CA 0.516 56.512 56.100 -0.173 0.000 1.062 95 R CB -0.203 29.930 30.300 -0.279 0.000 0.956 95 R HN 0.586 nan 8.270 nan 0.000 0.479 96 M N 0.914 120.427 119.600 -0.145 0.000 2.131 96 M HA -0.009 4.480 4.480 0.015 0.000 0.253 96 M C -0.949 175.429 176.300 0.131 0.000 1.107 96 M CA 1.454 56.710 55.300 -0.073 0.000 1.147 96 M CB -0.201 32.342 32.600 -0.094 0.000 1.279 96 M HN -0.103 nan 8.290 nan 0.000 0.432 97 P HA -0.030 nan 4.420 nan 0.000 0.219 97 P C -0.230 176.876 177.300 -0.324 0.000 1.154 97 P CA 1.146 64.146 63.100 -0.166 0.000 0.826 97 P CB 0.033 31.449 31.700 -0.474 0.000 0.795 98 F N 0.750 120.663 119.950 -0.062 0.000 2.404 98 F HA 0.525 5.060 4.527 0.014 0.000 0.339 98 F C 1.787 177.549 175.800 -0.064 0.000 1.105 98 F CA -0.876 57.049 58.000 -0.125 0.000 1.087 98 F CB 0.145 39.027 39.000 -0.197 0.000 1.143 98 F HN -0.131 nan 8.300 nan 0.000 0.491 99 G N 2.369 111.232 108.800 0.104 0.000 2.818 99 G HA2 -0.027 3.942 3.960 0.015 0.000 0.235 99 G HA3 -0.027 3.942 3.960 0.015 0.000 0.235 99 G C 1.175 176.105 174.900 0.050 0.000 1.244 99 G CA -0.379 44.821 45.100 0.166 0.000 0.853 99 G HN 0.826 nan 8.290 nan 0.000 0.596 100 I N -0.044 120.535 120.570 0.015 0.000 2.194 100 I HA -0.249 3.930 4.170 0.015 0.000 0.246 100 I C 2.925 178.977 176.117 -0.108 0.000 1.093 100 I CA 1.690 62.945 61.300 -0.075 0.000 1.355 100 I CB -0.143 37.807 38.000 -0.085 0.000 1.046 100 I HN 0.526 nan 8.210 nan 0.000 0.413 101 R N -0.288 120.161 120.500 -0.086 0.000 2.167 101 R HA 0.119 4.468 4.340 0.015 0.000 0.201 101 R C 2.312 178.530 176.300 -0.136 0.000 1.024 101 R CA 0.722 56.760 56.100 -0.104 0.000 1.053 101 R CB -0.448 29.815 30.300 -0.061 0.000 0.987 101 R HN 0.322 nan 8.270 nan 0.000 0.493 102 G N 1.048 109.761 108.800 -0.145 0.000 2.527 102 G HA2 -0.261 3.707 3.960 0.015 0.000 0.219 102 G HA3 -0.261 3.707 3.960 0.015 0.000 0.219 102 G C 1.385 176.170 174.900 -0.191 0.000 1.117 102 G CA 1.087 46.045 45.100 -0.238 0.000 0.759 102 G HN 0.411 nan 8.290 nan 0.000 0.556 103 S N 0.147 115.752 115.700 -0.157 0.000 2.461 103 S HA 0.100 4.579 4.470 0.015 0.000 0.228 103 S C 2.167 176.565 174.600 -0.335 0.000 1.005 103 S CA 0.292 58.346 58.200 -0.243 0.000 0.942 103 S CB -0.214 62.864 63.200 -0.203 0.000 0.776 103 S HN 0.303 nan 8.310 nan 0.000 0.514 104 L N 0.722 121.796 121.223 -0.250 0.000 2.191 104 L HA -0.033 4.316 4.340 0.015 0.000 0.212 104 L C 2.426 179.165 176.870 -0.218 0.000 1.103 104 L CA 1.012 55.724 54.840 -0.213 0.000 0.769 104 L CB -0.653 41.310 42.059 -0.159 0.000 0.908 104 L HN 0.332 nan 8.230 nan 0.000 0.438 105 I N 0.491 120.903 120.570 -0.262 0.000 2.113 105 I HA -0.200 3.978 4.170 0.015 0.000 0.238 105 I C -0.136 175.799 176.117 -0.303 0.000 1.070 105 I CA 1.549 62.703 61.300 -0.244 0.000 1.332 105 I CB -1.431 36.424 38.000 -0.242 0.000 1.044 105 I HN 0.237 nan 8.210 nan 0.000 0.402 106 P HA -0.047 nan 4.420 nan 0.000 0.227 106 P C 1.764 178.878 177.300 -0.310 0.000 1.161 106 P CA 1.368 64.138 63.100 -0.550 0.000 0.788 106 P CB 0.065 31.107 31.700 -1.097 0.000 0.822 107 I N -0.182 120.229 120.570 -0.265 0.000 2.333 107 I HA -0.134 4.045 4.170 0.015 0.000 0.246 107 I C 2.285 178.381 176.117 -0.035 0.000 1.106 107 I CA 1.343 62.612 61.300 -0.052 0.000 1.411 107 I CB -1.286 36.684 38.000 -0.050 0.000 1.082 107 I HN -0.071 nan 8.210 nan 0.000 0.420 108 T N 1.596 116.101 114.554 -0.082 0.000 2.699 108 T HA -0.226 4.133 4.350 0.015 0.000 0.268 108 T C 1.938 176.613 174.700 -0.043 0.000 1.036 108 T CA 1.451 63.520 62.100 -0.052 0.000 1.147 108 T CB -0.354 68.478 68.868 -0.059 0.000 0.862 108 T HN 0.310 nan 8.240 nan 0.000 0.446 109 L N 0.257 121.444 121.223 -0.060 0.000 2.291 109 L HA 0.001 4.350 4.340 0.015 0.000 0.214 109 L C 2.472 179.325 176.870 -0.028 0.000 1.120 109 L CA 1.244 56.060 54.840 -0.040 0.000 0.799 109 L CB -0.154 41.888 42.059 -0.029 0.000 0.925 109 L HN 0.035 nan 8.230 nan 0.000 0.446 110 K N 0.290 120.675 120.400 -0.024 0.000 2.044 110 K HA -0.012 4.317 4.320 0.015 0.000 0.204 110 K C 1.972 178.555 176.600 -0.029 0.000 1.045 110 K CA 1.179 57.452 56.287 -0.023 0.000 0.951 110 K CB -0.265 32.227 32.500 -0.014 0.000 0.738 110 K HN 0.333 nan 8.250 nan 0.000 0.443 111 A N 2.600 125.412 122.820 -0.014 0.000 1.859 111 A HA -0.246 4.083 4.320 0.015 0.000 0.218 111 A C 2.356 179.944 177.584 0.006 0.000 1.242 111 A CA 2.271 54.307 52.037 -0.002 0.000 0.661 111 A CB -1.247 17.756 19.000 0.006 0.000 0.842 111 A HN 0.358 nan 8.150 nan 0.000 0.455 112 L N -0.977 120.243 121.223 -0.004 0.000 2.114 112 L HA -0.363 3.986 4.340 0.015 0.000 0.245 112 L C 2.646 179.515 176.870 -0.002 0.000 1.114 112 L CA 2.270 57.106 54.840 -0.006 0.000 0.843 112 L CB -0.923 41.114 42.059 -0.037 0.000 0.945 112 L HN 0.525 nan 8.230 nan 0.000 0.446 113 L N -0.894 120.288 121.223 -0.068 0.000 2.103 113 L HA -0.316 4.033 4.340 0.015 0.000 0.215 113 L C 2.609 179.496 176.870 0.029 0.000 1.080 113 L CA 1.731 56.476 54.840 -0.158 0.000 0.764 113 L CB -0.678 41.318 42.059 -0.105 0.000 0.890 113 L HN 0.411 nan 8.230 nan 0.000 0.435 114 S N 0.138 115.907 115.700 0.115 0.000 2.335 114 S HA -0.123 4.356 4.470 0.015 0.000 0.216 114 S C 1.918 176.684 174.600 0.277 0.000 1.032 114 S CA 1.028 59.352 58.200 0.207 0.000 1.000 114 S CB -0.460 62.797 63.200 0.096 0.000 0.928 114 S HN 0.311 nan 8.310 nan 0.000 0.434 115 L N 0.332 121.671 121.223 0.193 0.000 2.187 115 L HA -0.134 4.215 4.340 0.015 0.000 0.213 115 L C 2.273 179.319 176.870 0.293 0.000 1.100 115 L CA 1.111 56.091 54.840 0.233 0.000 0.765 115 L CB -0.508 41.626 42.059 0.125 0.000 0.904 115 L HN 0.238 nan 8.230 nan 0.000 0.437 116 F N -0.072 119.898 119.950 0.034 0.000 2.037 116 F HA -0.171 4.365 4.527 0.016 0.000 0.291 116 F C 2.195 178.066 175.800 0.119 0.000 1.137 116 F CA 1.130 59.089 58.000 -0.069 0.000 1.178 116 F CB -0.870 37.902 39.000 -0.381 0.000 0.995 116 F HN -0.054 nan 8.300 nan 0.000 0.472 117 W N -0.439 121.253 121.300 0.653 0.000 2.304 117 W HA -0.326 4.344 4.660 0.016 0.000 0.315 117 W C 2.536 179.313 176.519 0.430 0.000 1.233 117 W CA 1.060 58.699 57.345 0.490 0.000 1.261 117 W CB -0.991 28.598 29.460 0.214 0.000 1.150 117 W HN 0.204 nan 8.180 nan 0.000 0.494 118 F N 1.510 121.750 119.950 0.483 0.000 2.147 118 F HA -0.208 4.328 4.527 0.014 0.000 0.301 118 F C 2.090 178.110 175.800 0.366 0.000 1.084 118 F CA 2.028 60.233 58.000 0.343 0.000 1.268 118 F CB -1.069 38.069 39.000 0.229 0.000 1.009 118 F HN -0.158 nan 8.300 nan 0.000 0.486 119 G N -0.149 108.769 108.800 0.196 0.000 2.524 119 G HA2 -0.322 3.647 3.960 0.015 0.000 0.215 119 G HA3 -0.322 3.647 3.960 0.015 0.000 0.215 119 G C 1.632 176.708 174.900 0.293 0.000 1.239 119 G CA 0.790 45.962 45.100 0.119 0.000 0.798 119 G HN 0.415 nan 8.290 nan 0.000 0.557 120 F N 1.457 121.614 119.950 0.346 0.000 2.050 120 F HA -0.308 4.228 4.527 0.015 0.000 0.294 120 F C 3.060 179.104 175.800 0.407 0.000 1.113 120 F CA 2.619 60.932 58.000 0.521 0.000 1.225 120 F CB -0.391 39.060 39.000 0.751 0.000 0.953 120 F HN 0.104 nan 8.300 nan 0.000 0.501 121 Q N -0.033 120.031 119.800 0.441 0.000 1.978 121 Q HA -0.241 4.108 4.340 0.015 0.000 0.211 121 Q C 2.257 178.268 176.000 0.017 0.000 1.013 121 Q CA 2.739 58.660 55.803 0.196 0.000 0.869 121 Q CB -1.524 27.356 28.738 0.237 0.000 0.953 121 Q HN 0.484 nan 8.270 nan 0.000 0.415 122 T N 0.523 115.047 114.554 -0.049 0.000 2.684 122 T HA -0.237 4.122 4.350 0.015 0.000 0.267 122 T C 1.219 175.846 174.700 -0.122 0.000 1.032 122 T CA 1.741 63.812 62.100 -0.049 0.000 1.155 122 T CB -0.597 68.078 68.868 -0.322 0.000 0.857 122 T HN 0.532 nan 8.240 nan 0.000 0.457 123 W N 1.583 122.679 121.300 -0.340 0.000 2.374 123 W HA -0.003 4.665 4.660 0.014 0.000 0.288 123 W C 1.662 177.912 176.519 -0.450 0.000 1.218 123 W CA 0.617 57.659 57.345 -0.506 0.000 1.245 123 W CB -0.537 28.570 29.460 -0.588 0.000 1.126 123 W HN 0.227 nan 8.180 nan 0.000 0.545 124 L N -0.087 120.771 121.223 -0.608 0.000 2.049 124 L HA 0.024 4.373 4.340 0.015 0.000 0.203 124 L C 2.710 179.204 176.870 -0.627 0.000 1.074 124 L CA 1.400 55.800 54.840 -0.733 0.000 0.749 124 L CB -1.645 40.138 42.059 -0.461 0.000 0.907 124 L HN 0.139 nan 8.230 nan 0.000 0.439 125 G N 0.020 108.444 108.800 -0.626 0.000 2.469 125 G HA2 -0.328 3.641 3.960 0.015 0.000 0.220 125 G HA3 -0.328 3.641 3.960 0.015 0.000 0.220 125 G C 1.753 176.127 174.900 -0.877 0.000 1.136 125 G CA 1.039 45.601 45.100 -0.897 0.000 0.759 125 G HN 0.478 nan 8.290 nan 0.000 0.562 126 A N 0.712 123.088 122.820 -0.740 0.000 1.883 126 A HA 0.002 4.331 4.320 0.015 0.000 0.217 126 A C 2.450 179.700 177.584 -0.557 0.000 1.186 126 A CA 1.538 53.267 52.037 -0.513 0.000 0.624 126 A CB -0.474 18.351 19.000 -0.292 0.000 0.822 126 A HN 0.383 nan 8.150 nan 0.000 0.444 127 L N -0.866 120.002 121.223 -0.592 0.000 2.131 127 L HA -0.202 4.147 4.340 0.015 0.000 0.210 127 L C 3.048 179.648 176.870 -0.450 0.000 1.092 127 L CA 0.907 55.440 54.840 -0.512 0.000 0.759 127 L CB -0.666 41.044 42.059 -0.581 0.000 0.903 127 L HN 0.464 nan 8.230 nan 0.000 0.435 128 A N 0.573 123.116 122.820 -0.462 0.000 1.828 128 A HA -0.177 4.152 4.320 0.015 0.000 0.215 128 A C 2.229 179.537 177.584 -0.461 0.000 1.203 128 A CA 1.508 53.323 52.037 -0.370 0.000 0.614 128 A CB -0.881 17.916 19.000 -0.337 0.000 0.844 128 A HN 0.262 nan 8.150 nan 0.000 0.445 129 L N -0.402 120.428 121.223 -0.654 0.000 1.956 129 L HA -0.278 4.071 4.340 0.015 0.000 0.216 129 L C 2.476 178.718 176.870 -1.046 0.000 1.073 129 L CA 2.094 56.362 54.840 -0.953 0.000 0.762 129 L CB -0.718 40.438 42.059 -1.506 0.000 0.889 129 L HN 0.546 nan 8.230 nan 0.000 0.433 130 D N -0.768 118.918 120.400 -1.189 0.000 2.322 130 D HA -0.259 4.390 4.640 0.015 0.000 0.210 130 D C 1.946 177.995 176.300 -0.419 0.000 0.983 130 D CA 1.160 54.674 54.000 -0.810 0.000 0.902 130 D CB 0.126 40.648 40.800 -0.464 0.000 0.905 130 D HN 0.276 nan 8.370 nan 0.000 0.483 131 E N -0.472 119.495 120.200 -0.389 0.000 2.166 131 E HA 0.100 4.459 4.350 0.015 0.000 0.192 131 E C 2.025 178.506 176.600 -0.199 0.000 0.967 131 E CA 0.435 56.689 56.400 -0.243 0.000 0.840 131 E CB -0.205 29.364 29.700 -0.218 0.000 0.795 131 E HN 0.389 nan 8.360 nan 0.000 0.470 132 I N 0.974 121.395 120.570 -0.248 0.000 2.493 132 I HA -0.204 3.975 4.170 0.015 0.000 0.254 132 I C 2.124 178.172 176.117 -0.115 0.000 1.160 132 I CA 1.519 62.716 61.300 -0.172 0.000 1.445 132 I CB -0.431 37.455 38.000 -0.190 0.000 1.086 132 I HN 0.273 nan 8.210 nan 0.000 0.433 133 T N 0.009 114.483 114.554 -0.133 0.000 2.735 133 T HA -0.156 4.203 4.350 0.015 0.000 0.256 133 T C 1.988 176.719 174.700 0.051 0.000 1.042 133 T CA 0.938 63.050 62.100 0.021 0.000 1.147 133 T CB -0.467 68.497 68.868 0.160 0.000 0.865 133 T HN 0.255 nan 8.240 nan 0.000 0.421 134 R N 1.817 122.325 120.500 0.012 0.000 2.127 134 R HA 0.163 4.512 4.340 0.015 0.000 0.238 134 R C 2.196 178.500 176.300 0.007 0.000 1.134 134 R CA 1.209 57.326 56.100 0.030 0.000 0.975 134 R CB -1.602 28.686 30.300 -0.019 0.000 0.865 134 R HN 0.447 nan 8.270 nan 0.000 0.447 135 L N 0.245 121.450 121.223 -0.029 0.000 2.721 135 L HA 0.067 4.416 4.340 0.015 0.000 0.241 135 L C 0.853 177.715 176.870 -0.014 0.000 1.168 135 L CA 0.801 55.621 54.840 -0.033 0.000 0.866 135 L CB -0.012 42.011 42.059 -0.059 0.000 0.996 135 L HN 0.356 nan 8.230 nan 0.000 0.451 136 L N -2.653 118.576 121.223 0.011 0.000 3.888 136 L HA 0.115 4.464 4.340 0.015 0.000 0.369 136 L C 0.609 177.507 176.870 0.047 0.000 1.200 136 L CA 0.071 54.925 54.840 0.022 0.000 1.268 136 L CB 0.855 42.927 42.059 0.021 0.000 1.573 136 L HN -0.048 nan 8.230 nan 0.000 0.632 137 T N -1.986 112.610 114.554 0.070 0.000 3.524 137 T HA 0.145 4.504 4.350 0.015 0.000 0.300 137 T C 1.222 175.996 174.700 0.123 0.000 0.872 137 T CA 0.439 62.598 62.100 0.098 0.000 0.888 137 T CB 1.171 70.125 68.868 0.143 0.000 1.216 137 T HN 0.228 nan 8.240 nan 0.000 0.724 138 G N 2.106 110.965 108.800 0.097 0.000 2.322 138 G HA2 -0.337 3.632 3.960 0.015 0.000 0.264 138 G HA3 -0.337 3.632 3.960 0.015 0.000 0.264 138 G C 0.108 175.094 174.900 0.144 0.000 0.992 138 G CA 0.418 45.570 45.100 0.087 0.000 0.624 138 G HN 0.601 nan 8.290 nan 0.000 0.543 139 F N 3.393 123.361 119.950 0.030 0.000 2.571 139 F HA 0.483 5.019 4.527 0.015 0.000 0.390 139 F C 0.308 176.147 175.800 0.065 0.000 1.043 139 F CA 0.613 58.642 58.000 0.048 0.000 1.164 139 F CB 0.457 39.495 39.000 0.064 0.000 1.049 139 F HN 0.001 nan 8.300 nan 0.000 0.552 140 T N 7.228 121.584 114.554 -0.330 0.000 2.930 140 T HA 0.250 4.609 4.350 0.015 0.000 0.313 140 T C -0.835 173.624 174.700 -0.402 0.000 1.019 140 T CA -0.804 61.095 62.100 -0.335 0.000 1.004 140 T CB 0.368 69.153 68.868 -0.139 0.000 0.987 140 T HN 0.689 nan 8.240 nan 0.000 0.456 141 N N 3.473 121.904 118.700 -0.447 0.000 2.533 141 N HA 0.285 5.034 4.740 0.015 0.000 0.289 141 N C 0.458 175.920 175.510 -0.080 0.000 1.103 141 N CA -0.456 52.431 53.050 -0.272 0.000 0.877 141 N CB 1.505 39.776 38.487 -0.360 0.000 1.419 141 N HN 0.302 nan 8.380 nan 0.000 0.517 142 L N 6.797 127.995 121.223 -0.043 0.000 1.982 142 L HA 0.261 4.610 4.340 0.015 0.000 0.206 142 L C -1.043 175.840 176.870 0.022 0.000 1.078 142 L CA 1.569 56.408 54.840 -0.002 0.000 0.749 142 L CB -0.842 41.203 42.059 -0.023 0.000 0.894 142 L HN 0.497 nan 8.230 nan 0.000 0.436 143 P HA -0.229 nan 4.420 nan 0.000 0.218 143 P C 1.823 179.122 177.300 -0.002 0.000 1.150 143 P CA 1.460 64.557 63.100 -0.005 0.000 0.841 143 P CB -0.154 31.562 31.700 0.027 0.000 0.784 144 L N -2.122 119.087 121.223 -0.023 0.000 2.017 144 L HA -0.066 4.283 4.340 0.015 0.000 0.208 144 L C 2.066 178.847 176.870 -0.147 0.000 1.073 144 L CA 1.767 56.548 54.840 -0.099 0.000 0.745 144 L CB -1.240 40.728 42.059 -0.152 0.000 0.894 144 L HN -0.031 nan 8.230 nan 0.000 0.432 145 W N -0.446 120.809 121.300 -0.075 0.000 2.467 145 W HA -0.045 4.625 4.660 0.015 0.000 0.275 145 W C 2.361 178.836 176.519 -0.073 0.000 1.239 145 W CA 0.777 58.075 57.345 -0.079 0.000 1.266 145 W CB -0.054 29.322 29.460 -0.139 0.000 1.112 145 W HN 0.121 nan 8.180 nan 0.000 0.576 146 I N -0.820 119.824 120.570 0.124 0.000 2.142 146 I HA -0.322 3.857 4.170 0.015 0.000 0.240 146 I C 2.070 178.236 176.117 0.082 0.000 1.078 146 I CA 1.147 62.461 61.300 0.022 0.000 1.343 146 I CB -1.016 36.903 38.000 -0.135 0.000 1.046 146 I HN -0.220 nan 8.210 nan 0.000 0.405 147 V N 0.925 120.871 119.914 0.053 0.000 2.453 147 V HA -0.211 3.918 4.120 0.015 0.000 0.247 147 V C 2.303 178.423 176.094 0.043 0.000 1.048 147 V CA 1.430 63.762 62.300 0.053 0.000 1.049 147 V CB -0.205 31.635 31.823 0.028 0.000 0.672 147 V HN 0.312 nan 8.190 nan 0.000 0.457 148 I N -0.825 119.745 120.570 -0.000 0.000 2.151 148 I HA -0.307 3.872 4.170 0.015 0.000 0.243 148 I C 2.300 178.471 176.117 0.089 0.000 1.080 148 I CA 2.096 63.368 61.300 -0.046 0.000 1.339 148 I CB -0.374 37.445 38.000 -0.302 0.000 1.039 148 I HN 0.338 nan 8.210 nan 0.000 0.409 149 F N 1.517 121.495 119.950 0.046 0.000 2.128 149 F HA -0.024 4.512 4.527 0.015 0.000 0.295 149 F C 2.385 178.196 175.800 0.019 0.000 1.100 149 F CA 1.436 59.440 58.000 0.007 0.000 1.260 149 F CB -0.838 38.149 39.000 -0.021 0.000 1.009 149 F HN -0.022 nan 8.300 nan 0.000 0.476 150 G N -0.554 108.329 108.800 0.139 0.000 2.537 150 G HA2 -0.168 3.801 3.960 0.015 0.000 0.220 150 G HA3 -0.168 3.801 3.960 0.015 0.000 0.220 150 G C 1.531 176.473 174.900 0.070 0.000 1.111 150 G CA 0.896 46.071 45.100 0.126 0.000 0.748 150 G HN 0.603 nan 8.290 nan 0.000 0.564 151 A N 0.609 123.426 122.820 -0.005 0.000 1.919 151 A HA 0.323 4.652 4.320 0.015 0.000 0.211 151 A C 2.231 179.760 177.584 -0.091 0.000 1.310 151 A CA 0.589 52.607 52.037 -0.032 0.000 0.651 151 A CB -0.276 18.716 19.000 -0.014 0.000 0.996 151 A HN 0.213 nan 8.150 nan 0.000 0.479 152 I N 0.517 121.018 120.570 -0.115 0.000 2.161 152 I HA -0.478 3.701 4.170 0.015 0.000 0.246 152 I C 2.835 178.920 176.117 -0.052 0.000 1.048 152 I CA 2.233 63.471 61.300 -0.104 0.000 1.314 152 I CB -0.620 37.227 38.000 -0.256 0.000 1.014 152 I HN 0.512 nan 8.210 nan 0.000 0.418 153 Q N 0.037 119.724 119.800 -0.187 0.000 1.993 153 Q HA -0.178 4.171 4.340 0.015 0.000 0.202 153 Q C 2.335 178.266 176.000 -0.115 0.000 0.984 153 Q CA 1.862 57.674 55.803 0.015 0.000 0.837 153 Q CB -0.474 28.265 28.738 0.000 0.000 0.902 153 Q HN 0.404 nan 8.270 nan 0.000 0.423 154 V N 0.870 120.652 119.914 -0.220 0.000 2.527 154 V HA -0.239 3.890 4.120 0.015 0.000 0.255 154 V C 2.227 177.740 176.094 -0.969 0.000 1.081 154 V CA 1.417 63.404 62.300 -0.520 0.000 1.092 154 V CB -0.593 30.985 31.823 -0.409 0.000 0.673 154 V HN 0.179 nan 8.190 nan 0.000 0.470 155 V N 0.740 120.346 119.914 -0.513 0.000 2.302 155 V HA -0.184 3.945 4.120 0.015 0.000 0.243 155 V C 2.743 178.727 176.094 -0.183 0.000 1.036 155 V CA 2.363 64.475 62.300 -0.312 0.000 1.020 155 V CB -0.824 31.000 31.823 0.002 0.000 0.657 155 V HN 0.803 nan 8.190 nan 0.000 0.453 156 T N -3.373 111.053 114.554 -0.213 0.000 3.051 156 T HA -0.151 4.208 4.350 0.015 0.000 0.269 156 T C 1.588 176.116 174.700 -0.286 0.000 1.127 156 T CA 1.706 63.508 62.100 -0.496 0.000 1.107 156 T CB -0.391 67.846 68.868 -1.052 0.000 0.898 156 T HN 0.413 nan 8.240 nan 0.000 0.517 157 T N 0.889 115.350 114.554 -0.155 0.000 3.014 157 T HA 0.260 4.619 4.350 0.015 0.000 0.263 157 T C 1.260 176.040 174.700 0.132 0.000 1.078 157 T CA 0.254 62.370 62.100 0.026 0.000 1.135 157 T CB -0.455 68.333 68.868 -0.134 0.000 0.895 157 T HN 0.478 nan 8.240 nan 0.000 0.480 158 F N 0.485 120.415 119.950 -0.033 0.000 2.120 158 F HA -0.155 4.381 4.527 0.015 0.000 0.300 158 F C 1.205 177.046 175.800 0.069 0.000 1.095 158 F CA 0.759 58.664 58.000 -0.158 0.000 1.249 158 F CB -0.507 38.306 39.000 -0.310 0.000 0.995 158 F HN 0.203 nan 8.300 nan 0.000 0.480 159 Y N 1.521 122.022 120.300 0.335 0.000 2.715 159 Y HA 0.113 4.672 4.550 0.015 0.000 0.368 159 Y C 1.576 177.687 175.900 0.351 0.000 1.125 159 Y CA 0.080 58.368 58.100 0.314 0.000 1.447 159 Y CB -1.277 37.336 38.460 0.254 0.000 1.438 159 Y HN 0.163 nan 8.280 nan 0.000 0.472 160 G N 1.015 110.138 108.800 0.537 0.000 2.551 160 G HA2 -0.402 3.567 3.960 0.015 0.000 0.383 160 G HA3 -0.402 3.567 3.960 0.015 0.000 0.383 160 G C 1.174 176.216 174.900 0.236 0.000 1.370 160 G CA 0.604 45.869 45.100 0.275 0.000 0.940 160 G HN 0.503 nan 8.290 nan 0.000 0.524 161 I N 0.718 121.357 120.570 0.115 0.000 2.830 161 I HA -0.094 4.085 4.170 0.015 0.000 0.263 161 I C 2.846 179.023 176.117 0.100 0.000 1.230 161 I CA 1.851 63.199 61.300 0.081 0.000 1.480 161 I CB -0.311 37.700 38.000 0.019 0.000 1.095 161 I HN 0.633 nan 8.210 nan 0.000 0.455 162 T N 1.170 115.841 114.554 0.194 0.000 2.544 162 T HA -0.301 4.058 4.350 0.015 0.000 0.264 162 T C 1.534 176.413 174.700 0.298 0.000 1.096 162 T CA 2.257 64.511 62.100 0.257 0.000 1.181 162 T CB -0.616 68.469 68.868 0.361 0.000 0.864 162 T HN 0.413 nan 8.240 nan 0.000 0.415 163 F N 1.925 122.007 119.950 0.220 0.000 2.027 163 F HA -0.187 4.350 4.527 0.016 0.000 0.297 163 F C 2.179 178.028 175.800 0.082 0.000 1.129 163 F CA 1.125 59.209 58.000 0.141 0.000 1.195 163 F CB -0.944 38.122 39.000 0.110 0.000 0.960 163 F HN 0.140 nan 8.300 nan 0.000 0.485 164 I N 0.383 120.785 120.570 -0.279 0.000 2.113 164 I HA -0.448 3.731 4.170 0.015 0.000 0.242 164 I C 2.811 178.712 176.117 -0.360 0.000 1.057 164 I CA 2.222 63.276 61.300 -0.410 0.000 1.314 164 I CB -0.702 37.228 38.000 -0.116 0.000 1.022 164 I HN 0.268 nan 8.210 nan 0.000 0.408 165 R N 0.289 120.638 120.500 -0.252 0.000 2.083 165 R HA -0.218 4.131 4.340 0.015 0.000 0.237 165 R C 2.232 178.306 176.300 -0.376 0.000 1.137 165 R CA 2.107 58.012 56.100 -0.325 0.000 0.951 165 R CB -0.448 29.625 30.300 -0.378 0.000 0.851 165 R HN 0.374 nan 8.270 nan 0.000 0.434 166 W N 0.635 121.804 121.300 -0.219 0.000 2.388 166 W HA -0.131 4.539 4.660 0.016 0.000 0.294 166 W C 2.453 178.856 176.519 -0.193 0.000 1.212 166 W CA 0.848 58.071 57.345 -0.203 0.000 1.271 166 W CB -0.190 29.224 29.460 -0.076 0.000 1.126 166 W HN 0.195 nan 8.180 nan 0.000 0.535 167 M N 1.046 120.533 119.600 -0.189 0.000 2.065 167 M HA -0.239 4.250 4.480 0.015 0.000 0.259 167 M C 1.531 177.758 176.300 -0.123 0.000 1.069 167 M CA 2.198 57.307 55.300 -0.317 0.000 1.110 167 M CB -0.689 31.305 32.600 -1.010 0.000 1.328 167 M HN -0.183 nan 8.290 nan 0.000 0.405 168 N N -0.219 118.366 118.700 -0.193 0.000 2.106 168 N HA -0.101 4.648 4.740 0.015 0.000 0.188 168 N C 1.613 177.088 175.510 -0.058 0.000 1.029 168 N CA 1.821 54.807 53.050 -0.107 0.000 0.848 168 N CB -0.615 37.783 38.487 -0.150 0.000 1.007 168 N HN 0.293 nan 8.380 nan 0.000 0.423 169 V N 0.007 119.837 119.914 -0.141 0.000 2.469 169 V HA -0.170 3.959 4.120 0.015 0.000 0.251 169 V C 1.261 177.364 176.094 0.014 0.000 1.064 169 V CA 1.284 63.490 62.300 -0.157 0.000 1.066 169 V CB -0.622 31.034 31.823 -0.278 0.000 0.667 169 V HN 0.318 nan 8.190 nan 0.000 0.461 170 F N -0.629 119.358 119.950 0.061 0.000 2.664 170 F HA 0.399 4.935 4.527 0.015 0.000 0.301 170 F C 1.540 177.380 175.800 0.068 0.000 1.126 170 F CA 0.191 58.242 58.000 0.086 0.000 1.373 170 F CB 0.238 39.304 39.000 0.110 0.000 1.042 170 F HN 0.190 nan 8.300 nan 0.000 0.535 171 A N -1.759 121.198 122.820 0.229 0.000 2.530 171 A HA 0.133 4.462 4.320 0.015 0.000 0.214 171 A C 1.736 179.446 177.584 0.211 0.000 1.352 171 A CA 0.107 52.257 52.037 0.189 0.000 1.035 171 A CB -0.158 18.923 19.000 0.135 0.000 1.296 171 A HN 0.122 nan 8.150 nan 0.000 0.563 172 S N 1.389 117.199 115.700 0.183 0.000 2.357 172 S HA -0.037 4.442 4.470 0.015 0.000 0.221 172 S C -0.286 174.371 174.600 0.095 0.000 1.031 172 S CA 1.620 59.935 58.200 0.192 0.000 0.982 172 S CB -0.755 62.390 63.200 -0.092 0.000 0.853 172 S HN 0.599 nan 8.310 nan 0.000 0.458 173 P HA -0.023 nan 4.420 nan 0.000 0.213 173 P C 1.562 178.968 177.300 0.178 0.000 1.170 173 P CA 1.060 64.207 63.100 0.079 0.000 0.893 173 P CB -0.290 31.469 31.700 0.099 0.000 0.784 174 V N 0.638 120.670 119.914 0.196 0.000 2.282 174 V HA -0.244 3.884 4.120 0.015 0.000 0.249 174 V C 2.911 179.197 176.094 0.320 0.000 1.057 174 V CA 1.827 64.259 62.300 0.219 0.000 1.032 174 V CB -1.418 30.520 31.823 0.191 0.000 0.645 174 V HN 0.003 nan 8.190 nan 0.000 0.447 175 L N -1.042 120.409 121.223 0.381 0.000 2.141 175 L HA -0.148 4.201 4.340 0.015 0.000 0.209 175 L C 2.387 179.702 176.870 0.742 0.000 1.094 175 L CA 0.968 56.141 54.840 0.555 0.000 0.763 175 L CB -0.510 41.800 42.059 0.418 0.000 0.908 175 L HN 0.340 nan 8.230 nan 0.000 0.437 176 L N 0.033 121.636 121.223 0.633 0.000 2.056 176 L HA -0.103 4.246 4.340 0.015 0.000 0.207 176 L C 2.575 179.675 176.870 0.384 0.000 1.078 176 L CA 2.018 57.220 54.840 0.604 0.000 0.749 176 L CB -0.722 41.573 42.059 0.394 0.000 0.901 176 L HN 0.130 nan 8.230 nan 0.000 0.433 177 A N -0.634 122.365 122.820 0.299 0.000 1.855 177 A HA -0.205 4.124 4.320 0.015 0.000 0.215 177 A C 2.268 180.004 177.584 0.253 0.000 1.191 177 A CA 1.909 54.079 52.037 0.222 0.000 0.613 177 A CB -0.585 18.510 19.000 0.158 0.000 0.829 177 A HN 0.499 nan 8.150 nan 0.000 0.442 178 M N -0.426 119.362 119.600 0.313 0.000 2.192 178 M HA -0.191 4.298 4.480 0.015 0.000 0.259 178 M C 2.124 178.552 176.300 0.214 0.000 1.071 178 M CA 1.569 57.072 55.300 0.338 0.000 1.082 178 M CB -0.534 32.388 32.600 0.536 0.000 1.373 178 M HN 0.546 nan 8.290 nan 0.000 0.408 179 G N -0.870 108.023 108.800 0.155 0.000 2.411 179 G HA2 -0.044 3.925 3.960 0.015 0.000 0.213 179 G HA3 -0.044 3.925 3.960 0.015 0.000 0.213 179 G C 1.427 176.313 174.900 -0.023 0.000 1.166 179 G CA 0.209 45.230 45.100 -0.132 0.000 0.802 179 G HN 0.297 nan 8.290 nan 0.000 0.533 180 V N 0.171 120.151 119.914 0.109 0.000 2.490 180 V HA -0.199 3.930 4.120 0.015 0.000 0.250 180 V C 2.276 178.481 176.094 0.184 0.000 1.061 180 V CA 1.630 64.015 62.300 0.142 0.000 1.064 180 V CB -0.618 31.305 31.823 0.166 0.000 0.670 180 V HN 0.475 nan 8.190 nan 0.000 0.461 181 Y N 0.329 120.675 120.300 0.076 0.000 2.200 181 Y HA -0.215 4.343 4.550 0.015 0.000 0.290 181 Y C 2.409 178.384 175.900 0.126 0.000 1.137 181 Y CA 1.656 59.820 58.100 0.107 0.000 1.163 181 Y CB -0.292 38.231 38.460 0.105 0.000 0.988 181 Y HN 0.179 nan 8.280 nan 0.000 0.518 182 M N -1.246 118.341 119.600 -0.022 0.000 2.065 182 M HA -0.262 4.227 4.480 0.015 0.000 0.259 182 M C 2.057 178.239 176.300 -0.198 0.000 1.071 182 M CA 1.992 57.155 55.300 -0.229 0.000 1.109 182 M CB -0.847 31.536 32.600 -0.360 0.000 1.313 182 M HN 0.100 nan 8.290 nan 0.000 0.408 183 V N -0.189 119.662 119.914 -0.105 0.000 2.277 183 V HA -0.331 3.798 4.120 0.015 0.000 0.253 183 V C 2.205 178.282 176.094 -0.028 0.000 1.067 183 V CA 2.438 64.713 62.300 -0.041 0.000 1.047 183 V CB -1.080 30.802 31.823 0.098 0.000 0.649 183 V HN 0.474 nan 8.190 nan 0.000 0.447 184 Y N 0.189 120.429 120.300 -0.100 0.000 2.181 184 Y HA -0.196 4.362 4.550 0.014 0.000 0.288 184 Y C 2.222 178.016 175.900 -0.176 0.000 1.146 184 Y CA 1.665 59.703 58.100 -0.104 0.000 1.164 184 Y CB -0.226 38.186 38.460 -0.080 0.000 0.982 184 Y HN 0.153 nan 8.280 nan 0.000 0.515 185 L N -0.612 120.448 121.223 -0.271 0.000 2.046 185 L HA -0.256 4.093 4.340 0.015 0.000 0.208 185 L C 2.546 179.230 176.870 -0.311 0.000 1.077 185 L CA 1.638 56.273 54.840 -0.341 0.000 0.747 185 L CB -0.480 41.402 42.059 -0.294 0.000 0.896 185 L HN 0.368 nan 8.230 nan 0.000 0.432 186 M N -0.573 118.865 119.600 -0.270 0.000 2.081 186 M HA -0.174 4.315 4.480 0.015 0.000 0.261 186 M C 2.172 178.347 176.300 -0.208 0.000 1.075 186 M CA 1.663 56.823 55.300 -0.234 0.000 1.133 186 M CB -0.221 32.233 32.600 -0.243 0.000 1.330 186 M HN 0.178 nan 8.290 nan 0.000 0.414 187 L N -0.184 120.927 121.223 -0.186 0.000 2.450 187 L HA -0.203 4.146 4.340 0.015 0.000 0.224 187 L C 1.492 178.242 176.870 -0.200 0.000 1.149 187 L CA 0.786 55.540 54.840 -0.143 0.000 0.816 187 L CB -0.745 41.274 42.059 -0.067 0.000 0.932 187 L HN 0.370 nan 8.230 nan 0.000 0.449 188 D N -0.250 119.952 120.400 -0.330 0.000 2.394 188 D HA -0.028 4.621 4.640 0.015 0.000 0.226 188 D C 2.152 178.307 176.300 -0.241 0.000 0.990 188 D CA 0.885 54.666 54.000 -0.364 0.000 0.902 188 D CB 0.201 40.565 40.800 -0.727 0.000 1.038 188 D HN 0.074 nan 8.370 nan 0.000 0.499 189 G N -0.261 108.401 108.800 -0.230 0.000 2.534 189 G HA2 0.063 4.032 3.960 0.015 0.000 0.217 189 G HA3 0.063 4.032 3.960 0.015 0.000 0.217 189 G C 1.267 176.095 174.900 -0.120 0.000 1.128 189 G CA 0.736 45.742 45.100 -0.156 0.000 0.784 189 G HN 0.347 nan 8.290 nan 0.000 0.542 190 A N -0.472 122.275 122.820 -0.122 0.000 2.431 190 A HA 0.449 4.778 4.320 0.015 0.000 0.239 190 A C 0.768 178.309 177.584 -0.071 0.000 1.230 190 A CA 0.815 52.797 52.037 -0.090 0.000 0.928 190 A CB 0.343 19.289 19.000 -0.090 0.000 1.006 190 A HN 0.165 nan 8.150 nan 0.000 0.520 191 D N -1.206 119.147 120.400 -0.079 0.000 2.907 191 D HA -0.120 4.529 4.640 0.015 0.000 0.226 191 D C -0.462 175.813 176.300 -0.040 0.000 1.141 191 D CA 1.116 55.082 54.000 -0.057 0.000 0.779 191 D CB -1.434 39.340 40.800 -0.043 0.000 1.095 191 D HN 0.263 nan 8.370 nan 0.000 0.430 192 V N 0.070 119.958 119.914 -0.043 0.000 2.628 192 V HA 0.674 4.803 4.120 0.015 0.000 0.306 192 V C 0.730 176.821 176.094 -0.005 0.000 1.045 192 V CA -0.442 61.848 62.300 -0.017 0.000 0.905 192 V CB 2.062 33.878 31.823 -0.011 0.000 0.997 192 V HN 0.255 nan 8.190 nan 0.000 0.436 193 S N 3.155 118.863 115.700 0.014 0.000 2.652 193 S HA 0.430 4.909 4.470 0.015 0.000 0.270 193 S C 0.835 175.470 174.600 0.058 0.000 1.243 193 S CA -0.444 57.773 58.200 0.027 0.000 0.999 193 S CB 1.383 64.596 63.200 0.022 0.000 0.973 193 S HN 0.684 nan 8.310 nan 0.000 0.544 194 L N 2.500 123.766 121.223 0.071 0.000 1.989 194 L HA 0.095 4.444 4.340 0.015 0.000 0.211 194 L C 2.431 179.355 176.870 0.089 0.000 1.071 194 L CA 2.627 57.531 54.840 0.107 0.000 0.749 194 L CB -1.487 40.604 42.059 0.052 0.000 0.890 194 L HN 0.987 nan 8.230 nan 0.000 0.431 195 G N -1.071 107.756 108.800 0.044 0.000 2.529 195 G HA2 -0.334 3.635 3.960 0.015 0.000 0.219 195 G HA3 -0.334 3.635 3.960 0.015 0.000 0.219 195 G C 1.366 176.307 174.900 0.067 0.000 1.177 195 G CA 1.106 46.227 45.100 0.035 0.000 0.773 195 G HN 0.590 nan 8.290 nan 0.000 0.573 196 E N -0.153 120.086 120.200 0.064 0.000 2.021 196 E HA -0.145 4.214 4.350 0.015 0.000 0.200 196 E C 2.762 179.426 176.600 0.106 0.000 1.015 196 E CA 1.457 57.900 56.400 0.071 0.000 0.824 196 E CB -0.443 29.286 29.700 0.048 0.000 0.762 196 E HN 0.265 nan 8.360 nan 0.000 0.454 197 V N 1.284 121.269 119.914 0.119 0.000 2.380 197 V HA -0.304 3.825 4.120 0.015 0.000 0.251 197 V C 2.366 178.595 176.094 0.224 0.000 1.063 197 V CA 1.964 64.352 62.300 0.147 0.000 1.055 197 V CB -0.447 31.469 31.823 0.155 0.000 0.657 197 V HN 0.295 nan 8.190 nan 0.000 0.455 198 M N 1.264 121.019 119.600 0.259 0.000 2.267 198 M HA -0.134 4.355 4.480 0.015 0.000 0.263 198 M C 1.806 178.310 176.300 0.341 0.000 1.063 198 M CA 2.104 57.586 55.300 0.303 0.000 1.090 198 M CB -0.420 32.293 32.600 0.189 0.000 1.392 198 M HN 0.512 nan 8.290 nan 0.000 0.422 199 S N -2.453 113.414 115.700 0.279 0.000 2.603 199 S HA 0.226 4.705 4.470 0.015 0.000 0.232 199 S C 1.422 176.142 174.600 0.200 0.000 1.016 199 S CA -0.385 58.011 58.200 0.327 0.000 0.976 199 S CB -0.468 62.909 63.200 0.295 0.000 0.921 199 S HN 0.456 nan 8.310 nan 0.000 0.516 200 M N 1.865 121.554 119.600 0.149 0.000 2.549 200 M HA 0.110 4.599 4.480 0.015 0.000 0.260 200 M C 1.331 177.678 176.300 0.078 0.000 1.076 200 M CA 0.618 55.977 55.300 0.097 0.000 1.090 200 M CB -0.293 32.351 32.600 0.073 0.000 1.418 200 M HN 0.548 nan 8.290 nan 0.000 0.486 201 G N -1.235 107.616 108.800 0.086 0.000 2.531 201 G HA2 0.517 4.486 3.960 0.015 0.000 0.313 201 G HA3 0.517 4.486 3.960 0.015 0.000 0.313 201 G C 0.311 175.234 174.900 0.038 0.000 1.238 201 G CA 0.011 45.146 45.100 0.058 0.000 0.994 201 G HN 0.383 nan 8.290 nan 0.000 0.493 202 G N -1.167 107.637 108.800 0.007 0.000 2.309 202 G HA2 -0.164 3.805 3.960 0.015 0.000 0.183 202 G HA3 -0.164 3.805 3.960 0.015 0.000 0.183 202 G C 0.151 175.026 174.900 -0.042 0.000 1.063 202 G CA 0.205 45.283 45.100 -0.036 0.000 0.768 202 G HN 0.614 nan 8.290 nan 0.000 0.490 203 E N -0.068 120.109 120.200 -0.038 0.000 2.411 203 E HA 0.241 4.600 4.350 0.015 0.000 0.204 203 E C 0.660 177.232 176.600 -0.046 0.000 1.059 203 E CA -0.106 56.277 56.400 -0.029 0.000 1.112 203 E CB 0.018 29.712 29.700 -0.011 0.000 1.168 203 E HN 0.507 nan 8.360 nan 0.000 0.445 204 N N 0.827 119.477 118.700 -0.083 0.000 2.776 204 N HA 0.043 4.792 4.740 0.015 0.000 0.215 204 N C -2.719 172.706 175.510 -0.142 0.000 1.347 204 N CA -0.811 52.187 53.050 -0.086 0.000 1.323 204 N CB 0.486 38.934 38.487 -0.065 0.000 1.547 204 N HN -0.036 nan 8.380 nan 0.000 0.582 205 P HA 0.166 nan 4.420 nan 0.000 0.276 205 P C 0.880 178.096 177.300 -0.141 0.000 1.264 205 P CA 1.406 64.379 63.100 -0.211 0.000 0.815 205 P CB 0.636 32.261 31.700 -0.125 0.000 1.121 206 G N -1.605 107.128 108.800 -0.112 0.000 3.465 206 G HA2 -0.151 3.818 3.960 0.015 0.000 0.196 206 G HA3 -0.151 3.818 3.960 0.015 0.000 0.196 206 G C 0.040 174.939 174.900 -0.001 0.000 1.170 206 G CA 0.143 45.219 45.100 -0.039 0.000 0.887 206 G HN 0.678 nan 8.290 nan 0.000 0.444 207 M N 4.305 123.887 119.600 -0.029 0.000 2.185 207 M HA 0.489 4.978 4.480 0.015 0.000 0.357 207 M C -2.061 174.393 176.300 0.256 0.000 1.260 207 M CA -1.806 53.546 55.300 0.087 0.000 1.124 207 M CB 1.172 33.825 32.600 0.089 0.000 1.600 207 M HN 0.133 nan 8.290 nan 0.000 0.467 208 P HA -0.057 nan 4.420 nan 0.000 0.267 208 P C -0.010 177.513 177.300 0.372 0.000 1.205 208 P CA 0.067 63.346 63.100 0.298 0.000 0.765 208 P CB 0.272 32.082 31.700 0.183 0.000 0.828 209 F N 3.562 123.623 119.950 0.185 0.000 2.373 209 F HA -0.214 4.318 4.527 0.009 0.000 0.300 209 F C 2.229 178.014 175.800 -0.026 0.000 1.080 209 F CA 1.864 59.811 58.000 -0.088 0.000 1.417 209 F CB -0.454 38.449 39.000 -0.163 0.000 1.070 209 F HN 0.375 nan 8.300 nan 0.000 0.546 210 S N -1.144 114.580 115.700 0.040 0.000 2.329 210 S HA -0.180 4.299 4.470 0.015 0.000 0.215 210 S C 2.018 176.593 174.600 -0.041 0.000 1.031 210 S CA 1.599 59.779 58.200 -0.032 0.000 0.985 210 S CB -1.225 62.008 63.200 0.056 0.000 0.917 210 S HN 0.318 nan 8.310 nan 0.000 0.441 211 T N 2.424 117.007 114.554 0.048 0.000 2.896 211 T HA 0.017 4.376 4.350 0.015 0.000 0.270 211 T C 1.899 176.626 174.700 0.045 0.000 1.104 211 T CA 1.216 63.358 62.100 0.069 0.000 1.115 211 T CB -0.783 68.154 68.868 0.116 0.000 0.843 211 T HN 0.644 nan 8.240 nan 0.000 0.523 212 A N 1.409 124.216 122.820 -0.021 0.000 1.854 212 A HA 0.082 4.411 4.320 0.015 0.000 0.214 212 A C 2.186 179.725 177.584 -0.075 0.000 1.192 212 A CA 0.904 52.904 52.037 -0.061 0.000 0.611 212 A CB -0.559 18.260 19.000 -0.302 0.000 0.832 212 A HN 0.529 nan 8.150 nan 0.000 0.442 213 I N -0.994 119.420 120.570 -0.260 0.000 2.614 213 I HA -0.204 3.975 4.170 0.015 0.000 0.258 213 I C 2.416 178.551 176.117 0.029 0.000 1.189 213 I CA 1.261 62.474 61.300 -0.144 0.000 1.462 213 I CB -0.214 37.645 38.000 -0.234 0.000 1.092 213 I HN 0.324 nan 8.210 nan 0.000 0.442 214 M N 0.497 120.112 119.600 0.025 0.000 2.476 214 M HA -0.032 4.456 4.480 0.015 0.000 0.262 214 M C 1.823 178.147 176.300 0.041 0.000 1.079 214 M CA 1.619 56.965 55.300 0.077 0.000 1.104 214 M CB -0.216 32.433 32.600 0.082 0.000 1.409 214 M HN 0.116 nan 8.290 nan 0.000 0.467 215 I N -1.585 119.001 120.570 0.026 0.000 2.270 215 I HA -0.183 3.996 4.170 0.015 0.000 0.239 215 I C 1.638 177.662 176.117 -0.155 0.000 1.080 215 I CA 0.898 62.140 61.300 -0.097 0.000 1.383 215 I CB -0.488 37.392 38.000 -0.199 0.000 1.097 215 I HN 0.083 nan 8.210 nan 0.000 0.420 216 F N 0.772 120.679 119.950 -0.072 0.000 2.161 216 F HA -0.205 4.336 4.527 0.023 0.000 0.300 216 F C 2.326 178.144 175.800 0.029 0.000 1.089 216 F CA 1.170 59.148 58.000 -0.037 0.000 1.282 216 F CB -1.158 37.867 39.000 0.042 0.000 1.010 216 F HN -0.159 nan 8.300 nan 0.000 0.485 217 V N 0.107 120.159 119.914 0.232 0.000 2.245 217 V HA -0.237 3.892 4.120 0.015 0.000 0.233 217 V C 2.777 178.857 176.094 -0.024 0.000 1.028 217 V CA 2.048 64.465 62.300 0.195 0.000 0.991 217 V CB -1.528 30.398 31.823 0.171 0.000 0.640 217 V HN 0.430 nan 8.190 nan 0.000 0.461 218 G N 0.083 108.738 108.800 -0.242 0.000 2.942 218 G HA2 -0.404 3.565 3.960 0.015 0.000 0.244 218 G HA3 -0.404 3.565 3.960 0.015 0.000 0.244 218 G C 1.513 176.225 174.900 -0.314 0.000 1.096 218 G CA 2.043 46.871 45.100 -0.453 0.000 0.731 218 G HN 0.808 nan 8.290 nan 0.000 0.653 219 G N 0.020 108.637 108.800 -0.304 0.000 2.679 219 G HA2 -0.267 3.702 3.960 0.015 0.000 0.217 219 G HA3 -0.267 3.702 3.960 0.015 0.000 0.217 219 G C 1.470 176.146 174.900 -0.373 0.000 1.267 219 G CA 1.140 45.972 45.100 -0.446 0.000 0.799 219 G HN 0.595 nan 8.290 nan 0.000 0.606 220 W N 0.991 122.220 121.300 -0.119 0.000 2.361 220 W HA -0.072 4.596 4.660 0.013 0.000 0.270 220 W C 2.445 178.954 176.519 -0.016 0.000 1.210 220 W CA 0.101 57.420 57.345 -0.044 0.000 1.174 220 W CB -0.403 29.109 29.460 0.086 0.000 1.131 220 W HN 0.188 nan 8.180 nan 0.000 0.575 221 I N 0.550 121.178 120.570 0.096 0.000 2.185 221 I HA -0.429 3.749 4.170 0.015 0.000 0.246 221 I C 2.642 178.805 176.117 0.075 0.000 1.088 221 I CA 1.519 62.858 61.300 0.065 0.000 1.347 221 I CB -0.999 36.947 38.000 -0.091 0.000 1.041 221 I HN 0.053 nan 8.210 nan 0.000 0.415 222 A N 0.222 123.058 122.820 0.027 0.000 1.997 222 A HA -0.188 4.141 4.320 0.015 0.000 0.221 222 A C 2.365 179.956 177.584 0.011 0.000 1.172 222 A CA 2.266 54.312 52.037 0.015 0.000 0.645 222 A CB -0.833 18.186 19.000 0.032 0.000 0.813 222 A HN 0.318 nan 8.150 nan 0.000 0.454 223 V N -1.000 118.971 119.914 0.096 0.000 2.300 223 V HA -0.143 3.986 4.120 0.015 0.000 0.241 223 V C 2.488 178.691 176.094 0.181 0.000 1.034 223 V CA 1.518 63.895 62.300 0.128 0.000 1.021 223 V CB -0.913 31.036 31.823 0.210 0.000 0.662 223 V HN 0.324 nan 8.190 nan 0.000 0.458 224 V N 0.278 120.349 119.914 0.262 0.000 2.380 224 V HA -0.241 3.888 4.120 0.015 0.000 0.251 224 V C 2.450 178.693 176.094 0.249 0.000 1.063 224 V CA 1.924 64.389 62.300 0.276 0.000 1.055 224 V CB -0.657 31.342 31.823 0.294 0.000 0.657 224 V HN 0.418 nan 8.190 nan 0.000 0.455 225 V N 0.756 120.768 119.914 0.165 0.000 2.515 225 V HA -0.129 4.000 4.120 0.015 0.000 0.250 225 V C 2.001 178.133 176.094 0.063 0.000 1.058 225 V CA 2.084 64.476 62.300 0.154 0.000 1.064 225 V CB -0.248 31.596 31.823 0.034 0.000 0.675 225 V HN 0.775 nan 8.190 nan 0.000 0.461 226 S N -2.287 113.338 115.700 -0.125 0.000 2.819 226 S HA 0.272 4.751 4.470 0.015 0.000 0.249 226 S C 1.398 176.115 174.600 0.195 0.000 1.030 226 S CA -0.322 57.749 58.200 -0.215 0.000 1.052 226 S CB -0.069 62.636 63.200 -0.824 0.000 1.017 226 S HN 0.371 nan 8.310 nan 0.000 0.576 227 I N 1.794 122.519 120.570 0.257 0.000 2.358 227 I HA -0.367 3.812 4.170 0.015 0.000 0.257 227 I C 2.342 178.571 176.117 0.186 0.000 1.123 227 I CA 1.763 63.191 61.300 0.214 0.000 1.393 227 I CB -0.836 37.290 38.000 0.210 0.000 1.073 227 I HN 0.417 nan 8.210 nan 0.000 0.437 228 H N 1.343 120.465 119.070 0.087 0.000 2.268 228 H HA -0.248 4.317 4.556 0.015 0.000 0.288 228 H C 1.600 176.927 175.328 -0.002 0.000 1.088 228 H CA 2.045 58.122 56.048 0.049 0.000 1.182 228 H CB -0.813 29.030 29.762 0.134 0.000 1.348 228 H HN 0.353 nan 8.280 nan 0.000 0.499 229 D N -0.312 120.204 120.400 0.194 0.000 2.434 229 D HA -0.107 4.542 4.640 0.015 0.000 0.228 229 D C 1.519 177.882 176.300 0.104 0.000 0.995 229 D CA 0.900 54.965 54.000 0.108 0.000 0.976 229 D CB -0.008 40.927 40.800 0.224 0.000 0.867 229 D HN 0.493 nan 8.370 nan 0.000 0.519 230 I N -1.324 119.282 120.570 0.060 0.000 3.814 230 I HA -0.097 4.082 4.170 0.015 0.000 0.264 230 I C 1.884 177.985 176.117 -0.027 0.000 1.145 230 I CA 0.059 61.377 61.300 0.029 0.000 1.375 230 I CB 0.354 38.376 38.000 0.037 0.000 1.638 230 I HN -0.247 nan 8.210 nan 0.000 0.432 231 V N 3.035 122.920 119.914 -0.049 0.000 2.913 231 V HA -0.232 3.897 4.120 0.015 0.000 0.260 231 V C 2.384 178.373 176.094 -0.175 0.000 1.098 231 V CA 1.944 64.150 62.300 -0.156 0.000 1.121 231 V CB -0.874 30.831 31.823 -0.197 0.000 0.714 231 V HN 0.459 nan 8.190 nan 0.000 0.487 232 K N 0.468 120.794 120.400 -0.124 0.000 2.160 232 K HA -0.238 4.091 4.320 0.015 0.000 0.206 232 K C 1.430 177.970 176.600 -0.099 0.000 1.047 232 K CA 1.962 58.177 56.287 -0.121 0.000 0.930 232 K CB -0.263 32.164 32.500 -0.120 0.000 0.720 232 K HN 0.300 nan 8.250 nan 0.000 0.450 233 E N 0.642 120.790 120.200 -0.087 0.000 2.438 233 E HA 0.066 4.425 4.350 0.015 0.000 0.192 233 E C -0.633 175.940 176.600 -0.046 0.000 1.110 233 E CA -0.064 56.304 56.400 -0.054 0.000 0.893 233 E CB -0.227 29.450 29.700 -0.037 0.000 0.990 233 E HN 0.321 nan 8.360 nan 0.000 0.490 234 C N 1.026 120.281 119.300 -0.076 0.000 2.466 234 C HA 0.276 4.745 4.460 0.015 0.000 0.379 234 C C 0.397 175.454 174.990 0.112 0.000 1.251 234 C CA -0.952 58.057 59.018 -0.016 0.000 2.263 234 C CB 0.461 28.043 27.740 -0.263 0.000 2.511 234 C HN 0.242 nan 8.230 nan 0.000 0.573 235 K N 1.701 122.215 120.400 0.190 0.000 2.292 235 K HA 0.468 4.797 4.320 0.015 0.000 0.290 235 K C -0.458 176.232 176.600 0.151 0.000 1.083 235 K CA 0.005 56.380 56.287 0.147 0.000 0.918 235 K CB 0.632 33.195 32.500 0.105 0.000 1.089 235 K HN 0.469 nan 8.250 nan 0.000 0.473 236 V N 2.034 122.034 119.914 0.144 0.000 2.960 236 V HA 0.219 4.348 4.120 0.015 0.000 0.315 236 V C -1.352 174.768 176.094 0.043 0.000 1.087 236 V CA -0.862 61.496 62.300 0.098 0.000 0.982 236 V CB 2.219 34.105 31.823 0.105 0.000 1.039 236 V HN 0.787 nan 8.190 nan 0.000 0.437 237 D N 5.946 126.324 120.400 -0.036 0.000 2.428 237 D HA 0.451 5.100 4.640 0.015 0.000 0.221 237 D C -1.123 175.077 176.300 -0.166 0.000 1.123 237 D CA -1.767 52.165 54.000 -0.115 0.000 0.869 237 D CB 1.701 42.446 40.800 -0.093 0.000 1.032 237 D HN 0.368 nan 8.370 nan 0.000 0.506 238 P HA -0.185 nan 4.420 nan 0.000 0.217 238 P C -0.148 177.043 177.300 -0.182 0.000 1.151 238 P CA 0.832 63.732 63.100 -0.333 0.000 0.849 238 P CB 0.185 31.413 31.700 -0.786 0.000 0.787 239 N N 0.577 119.177 118.700 -0.167 0.000 3.245 239 N HA 0.325 5.074 4.740 0.015 0.000 0.296 239 N C 0.285 175.751 175.510 -0.074 0.000 1.254 239 N CA 0.122 53.114 53.050 -0.097 0.000 1.190 239 N CB 0.312 38.747 38.487 -0.087 0.000 1.460 239 N HN 0.202 nan 8.380 nan 0.000 0.538 240 A N 0.345 123.125 122.820 -0.067 0.000 2.616 240 A HA 0.829 5.158 4.320 0.015 0.000 0.253 240 A C 0.260 177.829 177.584 -0.025 0.000 1.239 240 A CA -0.413 51.595 52.037 -0.048 0.000 0.914 240 A CB 0.825 19.792 19.000 -0.056 0.000 1.454 240 A HN 0.358 nan 8.150 nan 0.000 0.460 241 S N -1.778 113.916 115.700 -0.010 0.000 2.811 241 S HA 0.505 4.984 4.470 0.015 0.000 0.311 241 S C 0.442 175.058 174.600 0.026 0.000 1.152 241 S CA -0.809 57.397 58.200 0.009 0.000 0.864 241 S CB 0.978 64.183 63.200 0.009 0.000 1.226 241 S HN 0.523 nan 8.310 nan 0.000 0.541 242 R N 1.150 121.675 120.500 0.041 0.000 2.200 242 R HA -0.036 4.313 4.340 0.015 0.000 0.234 242 R C 1.309 177.648 176.300 0.065 0.000 1.127 242 R CA 1.454 57.593 56.100 0.064 0.000 0.989 242 R CB -0.509 29.830 30.300 0.064 0.000 0.869 242 R HN 0.780 nan 8.270 nan 0.000 0.459 243 E N -1.247 118.979 120.200 0.043 0.000 2.290 243 E HA 0.050 4.409 4.350 0.015 0.000 0.197 243 E C 1.968 178.583 176.600 0.025 0.000 0.948 243 E CA 0.793 57.216 56.400 0.039 0.000 0.895 243 E CB -0.375 29.340 29.700 0.026 0.000 0.865 243 E HN 0.286 nan 8.360 nan 0.000 0.486 244 G N 1.535 110.342 108.800 0.011 0.000 2.403 244 G HA2 -0.244 3.725 3.960 0.015 0.000 0.216 244 G HA3 -0.244 3.725 3.960 0.015 0.000 0.216 244 G C 1.618 176.511 174.900 -0.011 0.000 1.154 244 G CA 0.383 45.479 45.100 -0.007 0.000 0.784 244 G HN 0.150 nan 8.290 nan 0.000 0.538 245 Q N -0.192 119.609 119.800 0.001 0.000 2.016 245 Q HA -0.069 4.280 4.340 0.015 0.000 0.200 245 Q C 2.836 178.847 176.000 0.018 0.000 0.978 245 Q CA 1.734 57.536 55.803 -0.001 0.000 0.833 245 Q CB -0.351 28.395 28.738 0.013 0.000 0.895 245 Q HN 0.351 nan 8.270 nan 0.000 0.427 246 T N 1.132 115.724 114.554 0.062 0.000 2.849 246 T HA -0.109 4.250 4.350 0.015 0.000 0.270 246 T C 1.448 176.187 174.700 0.065 0.000 1.066 246 T CA 0.964 63.120 62.100 0.094 0.000 1.130 246 T CB 0.005 68.966 68.868 0.154 0.000 0.864 246 T HN 0.054 nan 8.240 nan 0.000 0.481 247 K N 0.657 121.075 120.400 0.031 0.000 2.459 247 K HA 0.298 4.627 4.320 0.015 0.000 0.193 247 K C 2.072 178.650 176.600 -0.036 0.000 1.030 247 K CA 0.384 56.676 56.287 0.010 0.000 1.026 247 K CB -0.088 32.408 32.500 -0.007 0.000 0.809 247 K HN 0.377 nan 8.250 nan 0.000 0.504 248 A N 1.222 124.010 122.820 -0.053 0.000 1.887 248 A HA -0.054 4.275 4.320 0.015 0.000 0.210 248 A C 1.627 179.164 177.584 -0.078 0.000 1.221 248 A CA 0.779 52.752 52.037 -0.108 0.000 0.635 248 A CB -0.155 18.796 19.000 -0.082 0.000 0.881 248 A HN 0.109 nan 8.150 nan 0.000 0.456 249 D N 0.778 121.133 120.400 -0.075 0.000 2.149 249 D HA -0.168 4.481 4.640 0.015 0.000 0.194 249 D C 2.087 178.293 176.300 -0.156 0.000 1.001 249 D CA 1.738 55.634 54.000 -0.173 0.000 0.849 249 D CB -0.303 40.212 40.800 -0.475 0.000 0.939 249 D HN 0.433 nan 8.370 nan 0.000 0.449 250 A N 0.754 123.548 122.820 -0.044 0.000 1.929 250 A HA -0.118 4.211 4.320 0.015 0.000 0.216 250 A C 2.179 179.806 177.584 0.072 0.000 1.176 250 A CA 1.193 53.341 52.037 0.185 0.000 0.628 250 A CB -0.409 18.766 19.000 0.292 0.000 0.816 250 A HN 0.117 nan 8.150 nan 0.000 0.444 251 R N -1.973 118.514 120.500 -0.021 0.000 2.148 251 R HA -0.103 4.246 4.340 0.015 0.000 0.227 251 R C 1.674 177.933 176.300 -0.068 0.000 1.103 251 R CA 1.417 57.465 56.100 -0.088 0.000 0.983 251 R CB -0.340 29.843 30.300 -0.196 0.000 0.874 251 R HN 0.693 nan 8.270 nan 0.000 0.451 252 Y N -0.683 119.593 120.300 -0.039 0.000 2.269 252 Y HA 0.003 4.561 4.550 0.014 0.000 0.294 252 Y C 2.434 178.290 175.900 -0.074 0.000 1.120 252 Y CA 0.430 58.495 58.100 -0.059 0.000 1.159 252 Y CB 0.099 38.512 38.460 -0.077 0.000 1.024 252 Y HN 0.239 nan 8.280 nan 0.000 0.532 253 A N -0.515 122.379 122.820 0.123 0.000 1.972 253 A HA -0.180 4.149 4.320 0.015 0.000 0.219 253 A C 2.105 179.714 177.584 0.041 0.000 1.169 253 A CA 2.161 54.226 52.037 0.046 0.000 0.635 253 A CB -1.073 18.012 19.000 0.141 0.000 0.810 253 A HN 0.365 nan 8.150 nan 0.000 0.446 254 T N -0.033 114.558 114.554 0.063 0.000 2.915 254 T HA 0.096 4.455 4.350 0.015 0.000 0.269 254 T C 2.120 176.874 174.700 0.091 0.000 1.071 254 T CA 1.164 63.300 62.100 0.060 0.000 1.132 254 T CB -0.257 68.618 68.868 0.010 0.000 0.878 254 T HN 0.583 nan 8.240 nan 0.000 0.479 255 A N 1.476 124.337 122.820 0.068 0.000 1.854 255 A HA -0.106 4.223 4.320 0.015 0.000 0.214 255 A C 2.285 179.856 177.584 -0.020 0.000 1.192 255 A CA 1.224 53.296 52.037 0.059 0.000 0.611 255 A CB -0.582 18.491 19.000 0.121 0.000 0.832 255 A HN 0.476 nan 8.150 nan 0.000 0.442 256 Q N -1.856 117.853 119.800 -0.151 0.000 2.061 256 Q HA -0.251 4.098 4.340 0.015 0.000 0.204 256 Q C 1.938 177.708 176.000 -0.383 0.000 0.984 256 Q CA 1.795 57.298 55.803 -0.500 0.000 0.846 256 Q CB -0.309 27.888 28.738 -0.901 0.000 0.902 256 Q HN 0.833 nan 8.270 nan 0.000 0.421 257 W N 1.475 122.569 121.300 -0.344 0.000 2.311 257 W HA -0.221 4.442 4.660 0.005 0.000 0.326 257 W C 1.360 177.790 176.519 -0.148 0.000 1.239 257 W CA 1.435 58.633 57.345 -0.245 0.000 1.258 257 W CB -0.372 28.991 29.460 -0.160 0.000 1.165 257 W HN 0.048 nan 8.180 nan 0.000 0.466 258 L N 1.036 122.432 121.223 0.288 0.000 2.814 258 L HA -0.041 4.308 4.340 0.015 0.000 0.248 258 L C 1.925 178.816 176.870 0.036 0.000 1.169 258 L CA 0.971 55.928 54.840 0.195 0.000 0.872 258 L CB -1.168 41.042 42.059 0.250 0.000 1.029 258 L HN 0.364 nan 8.230 nan 0.000 0.452 259 G N -0.782 107.988 108.800 -0.050 0.000 2.695 259 G HA2 0.069 4.038 3.960 0.015 0.000 0.205 259 G HA3 0.069 4.038 3.960 0.015 0.000 0.205 259 G C 1.243 176.159 174.900 0.026 0.000 1.068 259 G CA 0.236 45.367 45.100 0.052 0.000 0.842 259 G HN 0.377 nan 8.290 nan 0.000 0.628 260 M N -0.523 118.968 119.600 -0.181 0.000 2.379 260 M HA 0.410 4.899 4.480 0.015 0.000 0.265 260 M C 1.394 177.464 176.300 -0.383 0.000 1.095 260 M CA 0.464 55.615 55.300 -0.247 0.000 1.075 260 M CB 0.547 33.009 32.600 -0.231 0.000 1.443 260 M HN -0.146 nan 8.290 nan 0.000 0.519 261 V N 2.575 122.148 119.914 -0.568 0.000 2.407 261 V HA -0.008 4.121 4.120 0.015 0.000 0.245 261 V C -0.357 175.543 176.094 -0.323 0.000 1.041 261 V CA 1.667 63.586 62.300 -0.634 0.000 1.040 261 V CB -1.426 29.593 31.823 -1.340 0.000 0.671 261 V HN 0.375 nan 8.190 nan 0.000 0.455 262 P HA -0.119 nan 4.420 nan 0.000 0.215 262 P C 1.660 178.999 177.300 0.065 0.000 1.157 262 P CA 2.139 65.262 63.100 0.039 0.000 0.859 262 P CB 0.042 31.872 31.700 0.216 0.000 0.786 263 A N 1.605 124.339 122.820 -0.144 0.000 1.834 263 A HA -0.185 4.144 4.320 0.015 0.000 0.216 263 A C 2.487 179.998 177.584 -0.123 0.000 1.203 263 A CA 3.072 54.833 52.037 -0.461 0.000 0.621 263 A CB -1.820 16.528 19.000 -1.086 0.000 0.841 263 A HN 0.397 nan 8.150 nan 0.000 0.446 264 S N -0.839 114.773 115.700 -0.146 0.000 2.528 264 S HA -0.012 4.467 4.470 0.015 0.000 0.244 264 S C 1.540 176.180 174.600 0.068 0.000 0.982 264 S CA 1.428 59.631 58.200 0.005 0.000 0.953 264 S CB -0.469 62.762 63.200 0.052 0.000 0.754 264 S HN 0.468 nan 8.310 nan 0.000 0.529 265 I N -0.285 120.322 120.570 0.062 0.000 3.172 265 I HA 0.201 4.380 4.170 0.015 0.000 0.278 265 I C 2.164 178.406 176.117 0.208 0.000 1.174 265 I CA 0.241 61.593 61.300 0.087 0.000 1.445 265 I CB 0.082 38.093 38.000 0.019 0.000 1.175 265 I HN 0.264 nan 8.210 nan 0.000 0.447 266 I N 0.246 120.973 120.570 0.262 0.000 2.163 266 I HA -0.289 3.890 4.170 0.015 0.000 0.240 266 I C 2.145 178.466 176.117 0.339 0.000 1.081 266 I CA 1.757 63.247 61.300 0.318 0.000 1.353 266 I CB -0.132 38.086 38.000 0.363 0.000 1.054 266 I HN 0.106 nan 8.210 nan 0.000 0.407 267 F N 0.606 120.653 119.950 0.161 0.000 2.259 267 F HA -0.012 4.523 4.527 0.013 0.000 0.298 267 F C 2.495 178.456 175.800 0.269 0.000 1.088 267 F CA 1.076 59.192 58.000 0.193 0.000 1.358 267 F CB -1.349 37.601 39.000 -0.084 0.000 1.040 267 F HN 0.009 nan 8.300 nan 0.000 0.505 268 G N -0.723 108.302 108.800 0.376 0.000 2.443 268 G HA2 -0.293 3.676 3.960 0.015 0.000 0.219 268 G HA3 -0.293 3.676 3.960 0.015 0.000 0.219 268 G C 1.617 176.733 174.900 0.360 0.000 1.131 268 G CA 0.538 45.848 45.100 0.350 0.000 0.775 268 G HN 0.348 nan 8.290 nan 0.000 0.547 269 F N 1.400 121.463 119.950 0.188 0.000 2.186 269 F HA 0.113 4.652 4.527 0.020 0.000 0.299 269 F C 2.327 178.206 175.800 0.132 0.000 1.090 269 F CA 0.473 58.556 58.000 0.137 0.000 1.307 269 F CB -0.250 38.809 39.000 0.098 0.000 1.019 269 F HN 0.093 nan 8.300 nan 0.000 0.489 270 I N 0.379 120.897 120.570 -0.087 0.000 2.127 270 I HA -0.291 3.888 4.170 0.015 0.000 0.241 270 I C 2.757 178.752 176.117 -0.204 0.000 1.075 270 I CA 1.645 62.788 61.300 -0.261 0.000 1.334 270 I CB -1.395 36.558 38.000 -0.077 0.000 1.040 270 I HN 0.323 nan 8.210 nan 0.000 0.405 271 G N 0.428 109.285 108.800 0.094 0.000 2.491 271 G HA2 -0.305 3.663 3.960 0.015 0.000 0.218 271 G HA3 -0.305 3.663 3.960 0.015 0.000 0.218 271 G C 1.845 176.779 174.900 0.056 0.000 1.180 271 G CA 1.050 46.218 45.100 0.113 0.000 0.774 271 G HN 0.519 nan 8.290 nan 0.000 0.562 272 A N 1.378 124.247 122.820 0.083 0.000 1.873 272 A HA 0.097 4.426 4.320 0.015 0.000 0.218 272 A C 2.895 180.445 177.584 -0.057 0.000 1.193 272 A CA 2.957 55.032 52.037 0.064 0.000 0.629 272 A CB -1.165 17.916 19.000 0.136 0.000 0.826 272 A HN 1.100 nan 8.150 nan 0.000 0.447 273 A N -0.648 122.020 122.820 -0.253 0.000 1.958 273 A HA -0.167 4.162 4.320 0.015 0.000 0.221 273 A C 2.442 179.900 177.584 -0.210 0.000 1.178 273 A CA 2.456 54.298 52.037 -0.326 0.000 0.642 273 A CB -0.972 17.625 19.000 -0.671 0.000 0.816 273 A HN 0.516 nan 8.150 nan 0.000 0.453 274 S N -0.515 115.062 115.700 -0.206 0.000 2.349 274 S HA -0.160 4.319 4.470 0.015 0.000 0.216 274 S C 2.088 176.623 174.600 -0.108 0.000 1.033 274 S CA 1.640 59.730 58.200 -0.183 0.000 1.021 274 S CB -0.402 62.666 63.200 -0.219 0.000 0.968 274 S HN 0.497 nan 8.310 nan 0.000 0.426 275 M N 1.089 120.668 119.600 -0.034 0.000 2.226 275 M HA -0.141 4.348 4.480 0.015 0.000 0.257 275 M C 2.368 178.658 176.300 -0.017 0.000 1.070 275 M CA 1.423 56.725 55.300 0.003 0.000 1.087 275 M CB -1.626 31.018 32.600 0.072 0.000 1.278 275 M HN 0.254 nan 8.290 nan 0.000 0.426 276 V N 0.347 120.257 119.914 -0.006 0.000 2.370 276 V HA -0.254 3.875 4.120 0.015 0.000 0.252 276 V C 2.205 178.283 176.094 -0.026 0.000 1.068 276 V CA 1.705 64.004 62.300 -0.003 0.000 1.061 276 V CB -0.196 31.638 31.823 0.018 0.000 0.656 276 V HN 0.437 nan 8.190 nan 0.000 0.455 277 L N -1.502 119.687 121.223 -0.058 0.000 2.616 277 L HA 0.179 4.528 4.340 0.015 0.000 0.229 277 L C 1.075 177.895 176.870 -0.083 0.000 1.110 277 L CA 0.157 54.955 54.840 -0.070 0.000 0.884 277 L CB 0.786 42.789 42.059 -0.094 0.000 1.115 277 L HN 0.219 nan 8.230 nan 0.000 0.481 278 V N -1.710 118.149 119.914 -0.091 0.000 3.544 278 V HA 0.274 4.403 4.120 0.015 0.000 0.298 278 V C 1.091 177.129 176.094 -0.092 0.000 1.580 278 V CA 0.311 62.551 62.300 -0.100 0.000 1.122 278 V CB 0.703 32.444 31.823 -0.137 0.000 0.951 278 V HN 0.344 nan 8.190 nan 0.000 0.448 279 G N 1.123 109.882 108.800 -0.068 0.000 2.225 279 G HA2 -0.214 3.755 3.960 0.015 0.000 0.267 279 G HA3 -0.214 3.755 3.960 0.015 0.000 0.267 279 G C -0.113 174.745 174.900 -0.070 0.000 1.024 279 G CA 0.820 45.892 45.100 -0.047 0.000 0.784 279 G HN 0.449 nan 8.290 nan 0.000 0.507 280 E N -1.070 119.060 120.200 -0.116 0.000 2.321 280 E HA 0.254 4.613 4.350 0.015 0.000 0.281 280 E C 1.118 177.577 176.600 -0.235 0.000 0.910 280 E CA -0.493 55.763 56.400 -0.240 0.000 0.770 280 E CB 0.428 29.922 29.700 -0.344 0.000 1.225 280 E HN 0.358 nan 8.360 nan 0.000 0.417 281 W N 2.408 123.658 121.300 -0.085 0.000 2.407 281 W HA 0.049 4.718 4.660 0.014 0.000 0.305 281 W C 0.691 177.080 176.519 -0.217 0.000 1.196 281 W CA 0.115 57.398 57.345 -0.105 0.000 1.311 281 W CB -0.548 28.898 29.460 -0.024 0.000 1.135 281 W HN 0.405 nan 8.180 nan 0.000 0.514 282 N N 5.085 123.362 118.700 -0.704 0.000 2.418 282 N HA -0.068 4.681 4.740 0.015 0.000 0.277 282 N C -1.114 174.074 175.510 -0.536 0.000 1.317 282 N CA -0.491 52.189 53.050 -0.616 0.000 0.922 282 N CB 0.782 38.649 38.487 -1.034 0.000 1.194 282 N HN -0.008 nan 8.380 nan 0.000 0.485 283 P HA -0.150 nan 4.420 nan 0.000 0.222 283 P C 1.446 178.402 177.300 -0.573 0.000 1.142 283 P CA 0.578 63.312 63.100 -0.611 0.000 0.788 283 P CB 0.490 31.722 31.700 -0.781 0.000 0.767 284 V N 0.836 120.456 119.914 -0.489 0.000 2.229 284 V HA -0.224 3.905 4.120 0.015 0.000 0.243 284 V C 2.732 178.665 176.094 -0.268 0.000 1.042 284 V CA 1.764 63.842 62.300 -0.370 0.000 1.000 284 V CB -0.955 30.758 31.823 -0.183 0.000 0.637 284 V HN -0.016 nan 8.190 nan 0.000 0.446 285 I N 0.570 120.974 120.570 -0.277 0.000 2.286 285 I HA -0.228 3.951 4.170 0.015 0.000 0.248 285 I C 2.659 178.640 176.117 -0.227 0.000 1.115 285 I CA 1.372 62.535 61.300 -0.228 0.000 1.392 285 I CB -0.814 37.026 38.000 -0.267 0.000 1.065 285 I HN 0.291 nan 8.210 nan 0.000 0.418 286 A N 1.552 124.198 122.820 -0.289 0.000 1.892 286 A HA -0.200 4.129 4.320 0.015 0.000 0.218 286 A C 2.340 179.785 177.584 -0.231 0.000 1.188 286 A CA 1.845 53.722 52.037 -0.266 0.000 0.631 286 A CB -0.823 17.986 19.000 -0.318 0.000 0.822 286 A HN 0.440 nan 8.150 nan 0.000 0.447 287 I N -1.065 119.347 120.570 -0.263 0.000 2.617 287 I HA -0.135 4.044 4.170 0.015 0.000 0.256 287 I C 2.369 178.429 176.117 -0.095 0.000 1.167 287 I CA 1.325 62.504 61.300 -0.201 0.000 1.469 287 I CB -0.585 37.251 38.000 -0.273 0.000 1.098 287 I HN 0.242 nan 8.210 nan 0.000 0.436 288 T N 0.228 114.739 114.554 -0.072 0.000 2.788 288 T HA -0.183 4.176 4.350 0.015 0.000 0.268 288 T C 1.888 176.555 174.700 -0.055 0.000 1.044 288 T CA 1.305 63.387 62.100 -0.029 0.000 1.139 288 T CB -0.110 68.738 68.868 -0.033 0.000 0.867 288 T HN 0.245 nan 8.240 nan 0.000 0.454 289 E N 0.540 120.690 120.200 -0.084 0.000 2.158 289 E HA 0.002 4.361 4.350 0.015 0.000 0.191 289 E C 1.988 178.541 176.600 -0.078 0.000 0.982 289 E CA 0.487 56.839 56.400 -0.080 0.000 0.823 289 E CB 0.016 29.660 29.700 -0.094 0.000 0.766 289 E HN 0.274 nan 8.360 nan 0.000 0.468 290 V N 0.508 120.366 119.914 -0.094 0.000 3.623 290 V HA -0.046 4.083 4.120 0.015 0.000 0.271 290 V C 1.699 177.743 176.094 -0.085 0.000 1.248 290 V CA 0.508 62.751 62.300 -0.095 0.000 1.156 290 V CB 0.615 32.365 31.823 -0.121 0.000 0.870 290 V HN 0.026 nan 8.190 nan 0.000 0.453 291 V N -0.668 119.206 119.914 -0.066 0.000 3.539 291 V HA 0.504 4.633 4.120 0.015 0.000 0.262 291 V C 1.292 177.365 176.094 -0.034 0.000 1.381 291 V CA 0.738 63.008 62.300 -0.049 0.000 1.060 291 V CB 0.608 32.413 31.823 -0.029 0.000 0.842 291 V HN 0.552 nan 8.190 nan 0.000 0.445 292 G N 0.572 109.351 108.800 -0.035 0.000 2.467 292 G HA2 0.353 4.322 3.960 0.015 0.000 0.242 292 G HA3 0.353 4.322 3.960 0.015 0.000 0.242 292 G C 0.502 175.389 174.900 -0.022 0.000 1.127 292 G CA -0.046 45.036 45.100 -0.029 0.000 0.924 292 G HN 1.652 nan 8.290 nan 0.000 0.499 293 G N -2.440 106.348 108.800 -0.020 0.000 2.814 293 G HA2 0.447 4.416 3.960 0.015 0.000 0.677 293 G HA3 0.447 4.416 3.960 0.015 0.000 0.677 293 G C 0.062 174.958 174.900 -0.006 0.000 1.429 293 G CA 0.221 45.312 45.100 -0.015 0.000 0.868 293 G HN 2.328 nan 8.290 nan 0.000 0.553 294 V N -2.534 117.374 119.914 -0.010 0.000 2.851 294 V HA 0.874 5.003 4.120 0.015 0.000 0.307 294 V C 0.631 176.700 176.094 -0.042 0.000 1.129 294 V CA -0.047 62.241 62.300 -0.020 0.000 0.932 294 V CB 1.074 32.888 31.823 -0.015 0.000 1.024 294 V HN 2.544 nan 8.190 nan 0.000 0.426 295 S N 3.696 119.370 115.700 -0.043 0.000 2.560 295 S HA 0.156 4.635 4.470 0.015 0.000 0.276 295 S C 1.170 175.729 174.600 -0.069 0.000 1.350 295 S CA -0.219 57.954 58.200 -0.046 0.000 1.024 295 S CB 0.233 63.411 63.200 -0.038 0.000 0.864 295 S HN 0.742 nan 8.310 nan 0.000 0.536 296 I N 2.125 122.660 120.570 -0.058 0.000 2.335 296 I HA -0.076 4.103 4.170 0.015 0.000 0.251 296 I C -0.292 175.772 176.117 -0.089 0.000 1.129 296 I CA 0.665 61.925 61.300 -0.067 0.000 1.402 296 I CB -2.866 35.106 38.000 -0.046 0.000 1.069 296 I HN 0.616 nan 8.210 nan 0.000 0.424 297 P HA -0.156 nan 4.420 nan 0.000 0.206 297 P C 1.895 179.102 177.300 -0.154 0.000 1.212 297 P CA 0.982 64.026 63.100 -0.093 0.000 0.919 297 P CB -0.055 31.607 31.700 -0.065 0.000 0.755 298 M N -0.603 118.901 119.600 -0.161 0.000 2.413 298 M HA -0.171 4.318 4.480 0.015 0.000 0.258 298 M C 1.913 177.869 176.300 -0.573 0.000 1.081 298 M CA 1.676 56.822 55.300 -0.258 0.000 1.047 298 M CB -1.216 31.301 32.600 -0.138 0.000 1.390 298 M HN -0.006 nan 8.290 nan 0.000 0.438 299 A N -0.193 122.386 122.820 -0.402 0.000 1.861 299 A HA -0.028 4.300 4.320 0.015 0.000 0.212 299 A C 1.894 179.294 177.584 -0.306 0.000 1.199 299 A CA 0.712 52.506 52.037 -0.405 0.000 0.613 299 A CB -0.552 18.338 19.000 -0.183 0.000 0.846 299 A HN 0.485 nan 8.150 nan 0.000 0.446 300 I N 0.654 121.110 120.570 -0.189 0.000 3.083 300 I HA -0.125 4.053 4.170 0.015 0.000 0.273 300 I C 2.074 178.136 176.117 -0.091 0.000 1.297 300 I CA 0.202 61.434 61.300 -0.113 0.000 1.452 300 I CB -0.088 37.861 38.000 -0.084 0.000 1.078 300 I HN 0.317 nan 8.210 nan 0.000 0.484 301 L N 0.534 121.645 121.223 -0.187 0.000 2.109 301 L HA -0.126 4.223 4.340 0.015 0.000 0.207 301 L C 2.189 179.126 176.870 0.111 0.000 1.086 301 L CA 2.033 56.815 54.840 -0.097 0.000 0.760 301 L CB -0.451 41.484 42.059 -0.207 0.000 0.910 301 L HN 0.239 nan 8.230 nan 0.000 0.437 302 F N -0.559 119.440 119.950 0.081 0.000 2.456 302 F HA -0.144 4.393 4.527 0.016 0.000 0.298 302 F C 2.426 178.318 175.800 0.153 0.000 1.104 302 F CA 0.072 58.131 58.000 0.099 0.000 1.435 302 F CB 0.084 39.083 39.000 -0.001 0.000 1.078 302 F HN 0.177 nan 8.300 nan 0.000 0.546 303 Q N 0.056 119.983 119.800 0.211 0.000 2.389 303 Q HA -0.015 4.334 4.340 0.015 0.000 0.204 303 Q C 1.913 177.944 176.000 0.053 0.000 0.944 303 Q CA 0.512 56.363 55.803 0.081 0.000 0.908 303 Q CB 0.187 28.902 28.738 -0.038 0.000 1.002 303 Q HN 0.228 nan 8.270 nan 0.000 0.493 304 V N -0.200 119.785 119.914 0.119 0.000 2.599 304 V HA -0.107 4.022 4.120 0.015 0.000 0.245 304 V C 1.658 177.856 176.094 0.174 0.000 1.046 304 V CA 1.191 63.554 62.300 0.106 0.000 1.065 304 V CB -0.517 31.372 31.823 0.110 0.000 0.703 304 V HN 0.432 nan 8.190 nan 0.000 0.464 305 F N 1.024 121.069 119.950 0.158 0.000 2.095 305 F HA -0.201 4.335 4.527 0.014 0.000 0.298 305 F C 2.129 178.045 175.800 0.193 0.000 1.104 305 F CA 2.064 60.195 58.000 0.218 0.000 1.232 305 F CB -0.569 38.602 39.000 0.286 0.000 0.987 305 F HN -0.047 nan 8.300 nan 0.000 0.475 306 V N 0.890 120.901 119.914 0.162 0.000 2.214 306 V HA -0.337 3.792 4.120 0.015 0.000 0.247 306 V C 2.434 178.442 176.094 -0.143 0.000 1.051 306 V CA 2.052 64.353 62.300 0.001 0.000 1.003 306 V CB -1.115 30.772 31.823 0.106 0.000 0.635 306 V HN 0.503 nan 8.190 nan 0.000 0.447 307 L N -0.434 120.719 121.223 -0.118 0.000 1.991 307 L HA -0.253 4.096 4.340 0.015 0.000 0.221 307 L C 2.278 179.164 176.870 0.028 0.000 1.079 307 L CA 2.445 57.201 54.840 -0.141 0.000 0.778 307 L CB -0.974 41.005 42.059 -0.134 0.000 0.893 307 L HN 0.367 nan 8.230 nan 0.000 0.437 308 L N -0.385 120.881 121.223 0.071 0.000 2.079 308 L HA -0.112 4.237 4.340 0.015 0.000 0.210 308 L C 2.328 179.222 176.870 0.041 0.000 1.081 308 L CA 2.080 57.014 54.840 0.157 0.000 0.752 308 L CB -0.884 41.253 42.059 0.130 0.000 0.896 308 L HN 0.326 nan 8.230 nan 0.000 0.433 309 A N -2.233 120.469 122.820 -0.197 0.000 2.209 309 A HA -0.036 4.293 4.320 0.015 0.000 0.212 309 A C 1.963 179.469 177.584 -0.130 0.000 1.158 309 A CA 1.545 53.406 52.037 -0.294 0.000 0.742 309 A CB -0.775 17.814 19.000 -0.685 0.000 0.790 309 A HN 0.571 nan 8.150 nan 0.000 0.472 310 T N -3.516 111.035 114.554 -0.004 0.000 3.045 310 T HA -0.063 4.296 4.350 0.015 0.000 0.239 310 T C 1.589 176.471 174.700 0.303 0.000 1.008 310 T CA 0.390 62.544 62.100 0.090 0.000 1.143 310 T CB -0.392 68.489 68.868 0.022 0.000 0.894 310 T HN 0.519 nan 8.240 nan 0.000 0.451 311 W N 3.627 125.058 121.300 0.219 0.000 2.325 311 W HA -0.092 4.577 4.660 0.014 0.000 0.299 311 W C 2.034 178.647 176.519 0.157 0.000 1.215 311 W CA 1.345 58.858 57.345 0.279 0.000 1.244 311 W CB -0.878 28.767 29.460 0.308 0.000 1.140 311 W HN 0.391 nan 8.180 nan 0.000 0.523 312 S N -1.875 113.977 115.700 0.254 0.000 2.803 312 S HA 0.142 4.621 4.470 0.015 0.000 0.228 312 S C 0.857 175.458 174.600 0.001 0.000 0.953 312 S CA 0.756 58.983 58.200 0.045 0.000 0.983 312 S CB 0.150 63.351 63.200 0.002 0.000 0.784 312 S HN 0.077 nan 8.310 nan 0.000 0.498 313 T N 0.977 115.573 114.554 0.070 0.000 3.602 313 T HA 0.124 4.483 4.350 0.015 0.000 0.287 313 T C 1.424 176.176 174.700 0.086 0.000 0.967 313 T CA 0.115 62.226 62.100 0.017 0.000 1.111 313 T CB -0.641 68.219 68.868 -0.014 0.000 1.156 313 T HN 0.361 nan 8.240 nan 0.000 0.470 314 N N 2.801 121.616 118.700 0.192 0.000 2.061 314 N HA -0.076 4.673 4.740 0.015 0.000 0.193 314 N C -0.661 175.027 175.510 0.296 0.000 1.030 314 N CA 2.261 55.489 53.050 0.296 0.000 0.856 314 N CB -0.728 38.011 38.487 0.421 0.000 1.023 314 N HN 0.312 nan 8.380 nan 0.000 0.424 315 P HA -0.121 nan 4.420 nan 0.000 0.213 315 P C 1.066 178.428 177.300 0.102 0.000 1.170 315 P CA 2.192 65.403 63.100 0.186 0.000 0.898 315 P CB -0.262 31.582 31.700 0.239 0.000 0.787 316 A N 0.573 123.435 122.820 0.069 0.000 1.855 316 A HA -0.018 4.311 4.320 0.015 0.000 0.215 316 A C 2.602 180.186 177.584 -0.001 0.000 1.191 316 A CA 2.440 54.485 52.037 0.013 0.000 0.613 316 A CB -1.657 17.305 19.000 -0.064 0.000 0.829 316 A HN 0.247 nan 8.150 nan 0.000 0.442 317 A N -0.587 122.224 122.820 -0.014 0.000 1.898 317 A HA -0.125 4.204 4.320 0.015 0.000 0.216 317 A C 1.901 179.511 177.584 0.043 0.000 1.181 317 A CA 1.716 53.744 52.037 -0.014 0.000 0.620 317 A CB -0.370 18.610 19.000 -0.034 0.000 0.819 317 A HN 0.538 nan 8.150 nan 0.000 0.442 318 N N -1.586 117.178 118.700 0.106 0.000 2.294 318 N HA 0.104 4.853 4.740 0.015 0.000 0.186 318 N C 1.197 176.729 175.510 0.037 0.000 1.107 318 N CA 0.296 53.441 53.050 0.159 0.000 0.884 318 N CB 0.596 39.299 38.487 0.361 0.000 1.030 318 N HN 0.346 nan 8.380 nan 0.000 0.482 319 L N 0.835 122.026 121.223 -0.053 0.000 2.286 319 L HA 0.266 4.615 4.340 0.015 0.000 0.203 319 L C 1.917 178.734 176.870 -0.087 0.000 1.068 319 L CA 0.820 55.529 54.840 -0.218 0.000 0.811 319 L CB -0.432 41.444 42.059 -0.305 0.000 0.989 319 L HN -0.058 nan 8.230 nan 0.000 0.467 320 L N -0.972 120.260 121.223 0.015 0.000 1.933 320 L HA -0.279 4.070 4.340 0.015 0.000 0.220 320 L C 2.478 179.432 176.870 0.139 0.000 1.078 320 L CA 1.799 56.694 54.840 0.092 0.000 0.773 320 L CB -1.105 41.044 42.059 0.149 0.000 0.890 320 L HN 0.205 nan 8.230 nan 0.000 0.434 321 S N 0.184 115.966 115.700 0.137 0.000 2.407 321 S HA -0.214 4.265 4.470 0.015 0.000 0.244 321 S C -0.415 174.262 174.600 0.127 0.000 1.077 321 S CA 2.297 60.569 58.200 0.120 0.000 1.159 321 S CB -1.987 61.169 63.200 -0.073 0.000 1.045 321 S HN 0.440 nan 8.310 nan 0.000 0.438 322 P HA -0.110 nan 4.420 nan 0.000 0.213 322 P C 1.558 178.867 177.300 0.016 0.000 1.170 322 P CA 1.819 64.931 63.100 0.020 0.000 0.898 322 P CB -0.288 31.398 31.700 -0.024 0.000 0.787 323 A N 0.121 122.931 122.820 -0.017 0.000 1.863 323 A HA -0.267 4.062 4.320 0.015 0.000 0.218 323 A C 2.407 180.032 177.584 0.069 0.000 1.233 323 A CA 2.319 54.330 52.037 -0.044 0.000 0.655 323 A CB -2.186 16.771 19.000 -0.072 0.000 0.839 323 A HN 0.179 nan 8.150 nan 0.000 0.454 324 Y N 0.490 120.903 120.300 0.189 0.000 2.139 324 Y HA -0.271 4.288 4.550 0.015 0.000 0.282 324 Y C 3.063 179.011 175.900 0.080 0.000 1.179 324 Y CA 1.638 59.832 58.100 0.157 0.000 1.161 324 Y CB -0.808 37.723 38.460 0.119 0.000 0.970 324 Y HN 0.383 nan 8.280 nan 0.000 0.511 325 T N 0.755 115.438 114.554 0.214 0.000 2.652 325 T HA -0.238 4.121 4.350 0.015 0.000 0.267 325 T C 1.947 176.667 174.700 0.033 0.000 1.039 325 T CA 1.629 63.788 62.100 0.099 0.000 1.153 325 T CB -0.716 68.201 68.868 0.081 0.000 0.863 325 T HN 0.227 nan 8.240 nan 0.000 0.428 326 L N 1.235 122.468 121.223 0.018 0.000 1.956 326 L HA -0.194 4.155 4.340 0.015 0.000 0.216 326 L C 3.177 180.151 176.870 0.174 0.000 1.073 326 L CA 1.906 56.751 54.840 0.007 0.000 0.762 326 L CB -0.991 40.850 42.059 -0.363 0.000 0.889 326 L HN 0.545 nan 8.230 nan 0.000 0.433 327 C N -2.918 116.498 119.300 0.193 0.000 2.409 327 C HA -0.083 4.386 4.460 0.015 0.000 0.288 327 C C 2.670 177.802 174.990 0.236 0.000 1.395 327 C CA 0.513 59.736 59.018 0.342 0.000 1.792 327 C CB -1.180 26.755 27.740 0.325 0.000 1.847 327 C HN 0.498 nan 8.230 nan 0.000 0.534 328 S N -0.460 115.321 115.700 0.136 0.000 2.577 328 S HA 0.163 4.642 4.470 0.015 0.000 0.219 328 S C 0.967 175.511 174.600 -0.094 0.000 0.962 328 S CA 0.613 58.831 58.200 0.030 0.000 0.921 328 S CB -0.313 62.886 63.200 -0.001 0.000 0.789 328 S HN 0.772 nan 8.310 nan 0.000 0.497 329 T N 0.596 115.062 114.554 -0.146 0.000 3.475 329 T HA 0.372 4.731 4.350 0.015 0.000 0.310 329 T C -0.606 173.590 174.700 -0.840 0.000 0.963 329 T CA -0.244 61.577 62.100 -0.464 0.000 0.985 329 T CB -0.042 68.475 68.868 -0.586 0.000 1.198 329 T HN 0.326 nan 8.240 nan 0.000 0.508 330 F N 1.311 121.372 119.950 0.184 0.000 2.598 330 F HA 0.204 4.740 4.527 0.015 0.000 0.397 330 F C -2.035 173.891 175.800 0.210 0.000 1.402 330 F CA -1.436 56.709 58.000 0.242 0.000 1.072 330 F CB 1.047 40.368 39.000 0.536 0.000 2.048 330 F HN -0.119 nan 8.300 nan 0.000 0.492 331 P HA -0.276 nan 4.420 nan 0.000 0.209 331 P C 0.973 178.355 177.300 0.137 0.000 1.167 331 P CA 1.857 65.063 63.100 0.176 0.000 0.941 331 P CB 0.133 31.904 31.700 0.119 0.000 0.787 332 R N -0.383 120.172 120.500 0.091 0.000 2.366 332 R HA 0.078 4.427 4.340 0.015 0.000 0.201 332 R C 1.732 178.024 176.300 -0.013 0.000 1.057 332 R CA 0.405 56.530 56.100 0.042 0.000 1.086 332 R CB -0.897 29.422 30.300 0.030 0.000 0.914 332 R HN 0.288 nan 8.270 nan 0.000 0.476 333 V N -1.049 118.851 119.914 -0.023 0.000 2.854 333 V HA 0.213 4.342 4.120 0.015 0.000 0.236 333 V C 0.542 176.376 176.094 -0.434 0.000 1.157 333 V CA 0.817 62.952 62.300 -0.275 0.000 1.187 333 V CB -0.048 31.551 31.823 -0.372 0.000 0.949 333 V HN -0.038 nan 8.190 nan 0.000 0.488 334 F N 0.388 120.404 119.950 0.110 0.000 2.639 334 F HA 0.703 5.240 4.527 0.015 0.000 0.339 334 F C 0.552 176.410 175.800 0.097 0.000 1.071 334 F CA -0.227 57.826 58.000 0.087 0.000 0.994 334 F CB 1.710 40.781 39.000 0.117 0.000 1.341 334 F HN 0.082 nan 8.300 nan 0.000 0.498 335 T N -2.693 112.043 114.554 0.304 0.000 2.604 335 T HA 0.303 4.662 4.350 0.015 0.000 0.267 335 T C 0.203 175.040 174.700 0.229 0.000 0.923 335 T CA -0.387 61.849 62.100 0.228 0.000 1.077 335 T CB 0.624 69.575 68.868 0.139 0.000 1.392 335 T HN 0.448 nan 8.240 nan 0.000 0.531 336 F N 1.520 121.520 119.950 0.084 0.000 2.128 336 F HA 0.296 4.832 4.527 0.015 0.000 0.295 336 F C 2.201 178.001 175.800 0.000 0.000 1.100 336 F CA 1.244 59.225 58.000 -0.031 0.000 1.260 336 F CB -0.571 38.391 39.000 -0.064 0.000 1.009 336 F HN 0.475 nan 8.300 nan 0.000 0.476 337 K N -0.243 119.913 120.400 -0.407 0.000 2.148 337 K HA -0.094 4.235 4.320 0.015 0.000 0.204 337 K C 1.951 178.469 176.600 -0.137 0.000 1.050 337 K CA 1.700 57.737 56.287 -0.417 0.000 0.942 337 K CB -0.477 31.697 32.500 -0.543 0.000 0.724 337 K HN 0.300 nan 8.250 nan 0.000 0.446 338 T N 0.425 114.940 114.554 -0.064 0.000 2.668 338 T HA -0.104 4.255 4.350 0.015 0.000 0.262 338 T C 2.014 176.762 174.700 0.080 0.000 1.045 338 T CA 1.565 63.713 62.100 0.079 0.000 1.152 338 T CB -0.585 68.416 68.868 0.221 0.000 0.864 338 T HN 0.437 nan 8.240 nan 0.000 0.419 339 G N 0.995 109.803 108.800 0.014 0.000 2.462 339 G HA2 -0.141 3.828 3.960 0.015 0.000 0.220 339 G HA3 -0.141 3.828 3.960 0.015 0.000 0.220 339 G C 1.613 176.414 174.900 -0.165 0.000 1.121 339 G CA 0.759 45.779 45.100 -0.134 0.000 0.758 339 G HN 0.405 nan 8.290 nan 0.000 0.559 340 V N 1.137 120.928 119.914 -0.206 0.000 2.216 340 V HA -0.159 3.970 4.120 0.015 0.000 0.242 340 V C 2.675 178.659 176.094 -0.183 0.000 1.042 340 V CA 1.640 63.782 62.300 -0.265 0.000 0.991 340 V CB -0.652 30.923 31.823 -0.414 0.000 0.633 340 V HN 0.365 nan 8.190 nan 0.000 0.449 341 I N 0.039 120.565 120.570 -0.073 0.000 2.141 341 I HA -0.370 3.809 4.170 0.015 0.000 0.243 341 I C 2.334 178.437 176.117 -0.023 0.000 1.035 341 I CA 2.082 63.377 61.300 -0.009 0.000 1.302 341 I CB -0.458 37.612 38.000 0.117 0.000 1.006 341 I HN 0.200 nan 8.210 nan 0.000 0.413 342 V N 0.005 119.899 119.914 -0.032 0.000 2.407 342 V HA -0.261 3.868 4.120 0.015 0.000 0.248 342 V C 2.385 178.437 176.094 -0.070 0.000 1.055 342 V CA 2.132 64.403 62.300 -0.048 0.000 1.049 342 V CB -0.561 31.192 31.823 -0.117 0.000 0.662 342 V HN 0.409 nan 8.190 nan 0.000 0.455 343 S N 0.654 116.283 115.700 -0.119 0.000 2.343 343 S HA -0.175 4.304 4.470 0.015 0.000 0.219 343 S C 2.311 176.861 174.600 -0.084 0.000 1.033 343 S CA 1.447 59.574 58.200 -0.122 0.000 1.014 343 S CB -0.713 62.372 63.200 -0.193 0.000 0.915 343 S HN 0.641 nan 8.310 nan 0.000 0.435 344 A N 1.654 124.371 122.820 -0.172 0.000 1.869 344 A HA -0.142 4.187 4.320 0.015 0.000 0.218 344 A C 2.398 180.157 177.584 0.292 0.000 1.203 344 A CA 2.112 54.170 52.037 0.035 0.000 0.638 344 A CB -1.347 17.663 19.000 0.017 0.000 0.831 344 A HN 0.316 nan 8.150 nan 0.000 0.450 345 V N -0.370 119.629 119.914 0.141 0.000 2.219 345 V HA -0.297 3.832 4.120 0.015 0.000 0.248 345 V C 2.542 178.710 176.094 0.122 0.000 1.053 345 V CA 2.209 64.587 62.300 0.130 0.000 1.009 345 V CB -1.037 30.831 31.823 0.074 0.000 0.636 345 V HN 0.385 nan 8.190 nan 0.000 0.445 346 V N 0.802 120.762 119.914 0.076 0.000 2.527 346 V HA -0.285 3.844 4.120 0.015 0.000 0.255 346 V C 2.416 178.560 176.094 0.084 0.000 1.081 346 V CA 2.186 64.519 62.300 0.055 0.000 1.092 346 V CB -1.512 30.326 31.823 0.024 0.000 0.673 346 V HN 0.661 nan 8.190 nan 0.000 0.470 347 G N -0.430 108.475 108.800 0.176 0.000 2.424 347 G HA2 -0.142 3.827 3.960 0.015 0.000 0.214 347 G HA3 -0.142 3.827 3.960 0.015 0.000 0.214 347 G C 1.486 176.488 174.900 0.169 0.000 1.202 347 G CA 0.665 45.904 45.100 0.231 0.000 0.793 347 G HN 0.462 nan 8.290 nan 0.000 0.534 348 L N 0.262 121.628 121.223 0.238 0.000 2.129 348 L HA -0.004 4.345 4.340 0.015 0.000 0.212 348 L C 2.286 179.251 176.870 0.158 0.000 1.087 348 L CA 0.516 55.518 54.840 0.270 0.000 0.757 348 L CB -0.343 41.870 42.059 0.255 0.000 0.896 348 L HN 0.151 nan 8.230 nan 0.000 0.434 349 L N -0.424 120.847 121.223 0.079 0.000 2.682 349 L HA 0.006 4.355 4.340 0.015 0.000 0.240 349 L C 1.622 178.443 176.870 -0.082 0.000 1.178 349 L CA 0.172 55.016 54.840 0.008 0.000 0.970 349 L CB -0.135 41.937 42.059 0.022 0.000 1.179 349 L HN 0.405 nan 8.230 nan 0.000 0.435 350 M N -1.117 118.392 119.600 -0.151 0.000 2.308 350 M HA 0.147 4.636 4.480 0.015 0.000 0.269 350 M C 0.613 176.642 176.300 -0.452 0.000 1.040 350 M CA -0.045 55.105 55.300 -0.249 0.000 1.024 350 M CB 0.581 33.039 32.600 -0.236 0.000 1.465 350 M HN 0.192 nan 8.290 nan 0.000 0.517 351 M N 2.313 121.515 119.600 -0.664 0.000 2.299 351 M HA -0.200 4.289 4.480 0.015 0.000 0.180 351 M C -1.741 173.787 176.300 -1.286 0.000 0.826 351 M CA -0.009 54.356 55.300 -1.559 0.000 0.503 351 M CB -1.196 30.775 32.600 -1.049 0.000 1.063 351 M HN 0.028 nan 8.290 nan 0.000 0.886 352 P HA -0.158 nan 4.420 nan 0.000 0.217 352 P C 1.104 178.084 177.300 -0.534 0.000 1.154 352 P CA 1.831 64.438 63.100 -0.821 0.000 0.841 352 P CB -0.350 30.548 31.700 -1.336 0.000 0.788 353 W N 1.584 122.658 121.300 -0.376 0.000 2.407 353 W HA -0.178 4.490 4.660 0.014 0.000 0.271 353 W C 1.480 177.678 176.519 -0.535 0.000 1.183 353 W CA 0.915 57.897 57.345 -0.606 0.000 1.136 353 W CB -2.088 26.463 29.460 -1.516 0.000 1.139 353 W HN 0.131 nan 8.180 nan 0.000 0.578 354 Q N -0.494 119.019 119.800 -0.478 0.000 2.159 354 Q HA 0.047 4.396 4.340 0.015 0.000 0.194 354 Q C 2.002 177.842 176.000 -0.267 0.000 0.968 354 Q CA 1.006 56.572 55.803 -0.396 0.000 0.837 354 Q CB -0.981 27.397 28.738 -0.599 0.000 0.920 354 Q HN 0.318 nan 8.270 nan 0.000 0.485 355 F N 1.297 121.151 119.950 -0.161 0.000 2.134 355 F HA -0.141 4.395 4.527 0.014 0.000 0.299 355 F C 2.256 178.102 175.800 0.076 0.000 1.097 355 F CA 1.351 59.328 58.000 -0.037 0.000 1.264 355 F CB -0.191 38.787 39.000 -0.036 0.000 1.001 355 F HN 0.131 nan 8.300 nan 0.000 0.479 356 A N -0.525 122.517 122.820 0.369 0.000 2.169 356 A HA 0.302 4.631 4.320 0.015 0.000 0.210 356 A C 2.307 180.086 177.584 0.325 0.000 1.168 356 A CA 0.690 52.917 52.037 0.316 0.000 0.813 356 A CB -1.164 18.045 19.000 0.349 0.000 0.861 356 A HN 0.334 nan 8.150 nan 0.000 0.481 357 G N -0.368 108.671 108.800 0.398 0.000 2.535 357 G HA2 0.003 3.972 3.960 0.015 0.000 0.218 357 G HA3 0.003 3.972 3.960 0.015 0.000 0.218 357 G C 1.187 176.259 174.900 0.287 0.000 1.122 357 G CA 1.406 46.787 45.100 0.469 0.000 0.769 357 G HN 0.292 nan 8.290 nan 0.000 0.549 358 V N 0.540 120.571 119.914 0.195 0.000 2.436 358 V HA 0.177 4.306 4.120 0.015 0.000 0.240 358 V C 1.330 177.505 176.094 0.135 0.000 1.040 358 V CA 0.426 62.806 62.300 0.133 0.000 1.052 358 V CB -0.272 31.595 31.823 0.074 0.000 0.707 358 V HN 0.205 nan 8.190 nan 0.000 0.469 359 L N 2.806 124.112 121.223 0.139 0.000 2.454 359 L HA 0.277 4.626 4.340 0.015 0.000 0.284 359 L C -0.347 176.595 176.870 0.120 0.000 1.139 359 L CA -0.067 54.855 54.840 0.137 0.000 0.911 359 L CB -0.909 41.216 42.059 0.110 0.000 1.262 359 L HN 0.294 nan 8.230 nan 0.000 0.453 360 N N 0.527 119.287 118.700 0.100 0.000 2.463 360 N HA 0.183 4.932 4.740 0.015 0.000 0.270 360 N C 0.780 176.191 175.510 -0.164 0.000 1.205 360 N CA -0.401 52.633 53.050 -0.026 0.000 0.974 360 N CB 0.495 38.952 38.487 -0.052 0.000 1.197 360 N HN 0.399 nan 8.380 nan 0.000 0.504 361 T N 0.127 114.503 114.554 -0.297 0.000 3.428 361 T HA -0.240 4.119 4.350 0.015 0.000 0.370 361 T C 0.147 174.551 174.700 -0.493 0.000 0.765 361 T CA 1.266 63.099 62.100 -0.444 0.000 1.853 361 T CB -1.442 67.105 68.868 -0.535 0.000 1.813 361 T HN 0.464 nan 8.240 nan 0.000 0.653 362 F N -1.632 118.251 119.950 -0.112 0.000 2.834 362 F HA 0.358 4.894 4.527 0.015 0.000 0.332 362 F C 1.632 177.377 175.800 -0.093 0.000 1.056 362 F CA -0.488 57.458 58.000 -0.090 0.000 1.178 362 F CB 0.427 39.392 39.000 -0.059 0.000 1.037 362 F HN 0.121 nan 8.300 nan 0.000 0.580 363 L N 0.701 121.979 121.223 0.091 0.000 2.650 363 L HA -0.021 4.328 4.340 0.015 0.000 0.235 363 L C 1.377 178.262 176.870 0.024 0.000 1.149 363 L CA 0.452 55.322 54.840 0.049 0.000 0.887 363 L CB -0.351 41.787 42.059 0.132 0.000 1.021 363 L HN 0.205 nan 8.230 nan 0.000 0.441 364 N N -0.719 117.953 118.700 -0.048 0.000 2.405 364 N HA 0.038 4.787 4.740 0.015 0.000 0.175 364 N C 1.463 176.913 175.510 -0.101 0.000 1.051 364 N CA 0.756 53.715 53.050 -0.152 0.000 0.899 364 N CB 0.676 39.008 38.487 -0.259 0.000 1.000 364 N HN 0.358 nan 8.380 nan 0.000 0.451 365 L N 0.464 121.684 121.223 -0.005 0.000 2.766 365 L HA 0.292 4.641 4.340 0.015 0.000 0.242 365 L C 1.378 178.235 176.870 -0.021 0.000 1.136 365 L CA 0.115 54.959 54.840 0.006 0.000 0.933 365 L CB 0.455 42.571 42.059 0.094 0.000 1.241 365 L HN -0.014 nan 8.230 nan 0.000 0.522 366 L N -0.811 120.395 121.223 -0.028 0.000 2.529 366 L HA 0.154 4.503 4.340 0.015 0.000 0.223 366 L C 2.244 179.073 176.870 -0.068 0.000 1.113 366 L CA 0.446 55.251 54.840 -0.058 0.000 0.861 366 L CB -0.116 41.901 42.059 -0.070 0.000 1.012 366 L HN 0.184 nan 8.230 nan 0.000 0.461 367 A N -0.305 122.471 122.820 -0.074 0.000 2.218 367 A HA -0.028 4.301 4.320 0.015 0.000 0.209 367 A C 1.987 179.496 177.584 -0.125 0.000 1.168 367 A CA 0.746 52.733 52.037 -0.083 0.000 0.804 367 A CB -0.206 18.744 19.000 -0.083 0.000 0.834 367 A HN 0.371 nan 8.150 nan 0.000 0.482 368 S N -0.485 115.142 115.700 -0.122 0.000 2.840 368 S HA 0.438 4.917 4.470 0.015 0.000 0.235 368 S C 0.824 175.496 174.600 0.120 0.000 0.968 368 S CA 0.338 58.507 58.200 -0.051 0.000 1.026 368 S CB -0.265 62.965 63.200 0.050 0.000 0.788 368 S HN 0.714 nan 8.310 nan 0.000 0.487 369 A N 0.846 123.692 122.820 0.043 0.000 2.708 369 A HA 0.673 5.002 4.320 0.015 0.000 0.293 369 A C 0.804 178.458 177.584 0.117 0.000 1.303 369 A CA -0.404 51.654 52.037 0.034 0.000 0.949 369 A CB -0.309 18.688 19.000 -0.005 0.000 1.121 369 A HN 0.626 nan 8.150 nan 0.000 0.542 370 L N -2.493 118.852 121.223 0.204 0.000 3.500 370 L HA 0.191 4.540 4.340 0.015 0.000 0.320 370 L C 2.195 179.298 176.870 0.388 0.000 1.205 370 L CA 0.433 55.446 54.840 0.289 0.000 1.117 370 L CB -0.034 42.157 42.059 0.221 0.000 1.542 370 L HN 0.435 nan 8.230 nan 0.000 0.622 371 G N 2.800 111.896 108.800 0.493 0.000 2.547 371 G HA2 -0.232 3.737 3.960 0.015 0.000 0.221 371 G HA3 -0.232 3.737 3.960 0.015 0.000 0.221 371 G C -0.299 174.679 174.900 0.130 0.000 1.140 371 G CA 1.356 46.646 45.100 0.316 0.000 0.760 371 G HN 0.288 nan 8.290 nan 0.000 0.583 372 P HA -0.001 nan 4.420 nan 0.000 0.221 372 P C 2.022 179.521 177.300 0.331 0.000 1.150 372 P CA 0.570 63.735 63.100 0.109 0.000 0.800 372 P CB 0.038 31.663 31.700 -0.126 0.000 0.787 373 L N 0.540 122.055 121.223 0.488 0.000 2.027 373 L HA 0.002 4.351 4.340 0.015 0.000 0.206 373 L C 2.602 179.673 176.870 0.335 0.000 1.074 373 L CA 1.996 57.130 54.840 0.489 0.000 0.745 373 L CB -1.517 40.789 42.059 0.411 0.000 0.898 373 L HN -0.101 nan 8.230 nan 0.000 0.433 374 A N -0.523 122.484 122.820 0.313 0.000 1.902 374 A HA -0.094 4.235 4.320 0.015 0.000 0.217 374 A C 2.325 180.039 177.584 0.216 0.000 1.181 374 A CA 1.645 53.855 52.037 0.289 0.000 0.623 374 A CB -1.620 17.576 19.000 0.327 0.000 0.818 374 A HN 0.533 nan 8.150 nan 0.000 0.443 375 G N -0.201 108.692 108.800 0.154 0.000 2.418 375 G HA2 -0.152 3.817 3.960 0.015 0.000 0.217 375 G HA3 -0.152 3.817 3.960 0.015 0.000 0.217 375 G C 1.389 176.316 174.900 0.045 0.000 1.158 375 G CA 1.050 46.201 45.100 0.086 0.000 0.771 375 G HN 0.484 nan 8.290 nan 0.000 0.545 376 I N 0.207 120.791 120.570 0.024 0.000 3.444 376 I HA 0.087 4.266 4.170 0.015 0.000 0.287 376 I C 2.244 178.260 176.117 -0.169 0.000 1.302 376 I CA 0.506 61.675 61.300 -0.219 0.000 1.368 376 I CB 0.030 37.887 38.000 -0.239 0.000 1.048 376 I HN 0.208 nan 8.210 nan 0.000 0.487 377 M N -0.713 118.922 119.600 0.058 0.000 2.367 377 M HA 0.173 4.662 4.480 0.015 0.000 0.256 377 M C 1.812 178.233 176.300 0.201 0.000 1.091 377 M CA 0.565 55.941 55.300 0.127 0.000 1.049 377 M CB 0.846 33.569 32.600 0.206 0.000 1.406 377 M HN 0.171 nan 8.290 nan 0.000 0.498 378 I N -1.501 119.193 120.570 0.207 0.000 2.927 378 I HA -0.108 4.071 4.170 0.015 0.000 0.268 378 I C 2.382 178.635 176.117 0.226 0.000 1.153 378 I CA 0.408 61.884 61.300 0.293 0.000 1.459 378 I CB 0.065 38.212 38.000 0.246 0.000 1.149 378 I HN 0.155 nan 8.210 nan 0.000 0.443 379 S N 1.065 116.836 115.700 0.119 0.000 2.338 379 S HA -0.273 4.206 4.470 0.015 0.000 0.218 379 S C 1.809 176.519 174.600 0.183 0.000 1.032 379 S CA 2.310 60.582 58.200 0.121 0.000 0.999 379 S CB -0.297 62.968 63.200 0.108 0.000 0.905 379 S HN 0.472 nan 8.310 nan 0.000 0.439 380 D N -1.025 119.469 120.400 0.156 0.000 2.149 380 D HA -0.208 4.441 4.640 0.015 0.000 0.194 380 D C 1.765 178.190 176.300 0.207 0.000 1.001 380 D CA 1.879 56.002 54.000 0.205 0.000 0.849 380 D CB -0.322 40.540 40.800 0.104 0.000 0.939 380 D HN 0.628 nan 8.370 nan 0.000 0.449 381 Y N -0.806 119.543 120.300 0.081 0.000 2.230 381 Y HA 0.114 4.673 4.550 0.014 0.000 0.294 381 Y C 1.844 177.793 175.900 0.082 0.000 1.120 381 Y CA 1.131 59.256 58.100 0.041 0.000 1.129 381 Y CB -0.667 37.767 38.460 -0.044 0.000 1.040 381 Y HN -0.003 nan 8.280 nan 0.000 0.519 382 F N -0.281 119.643 119.950 -0.042 0.000 2.407 382 F HA -0.116 4.420 4.527 0.017 0.000 0.299 382 F C 1.522 177.264 175.800 -0.095 0.000 1.097 382 F CA 0.806 58.719 58.000 -0.145 0.000 1.422 382 F CB 0.283 39.262 39.000 -0.036 0.000 1.067 382 F HN 0.106 nan 8.300 nan 0.000 0.539 383 L N -2.268 119.049 121.223 0.156 0.000 2.777 383 L HA 0.035 4.384 4.340 0.015 0.000 0.172 383 L C 2.031 178.965 176.870 0.106 0.000 1.179 383 L CA 0.106 55.010 54.840 0.107 0.000 0.859 383 L CB -0.779 41.329 42.059 0.082 0.000 1.269 383 L HN -0.364 nan 8.230 nan 0.000 0.511 384 V N 0.524 120.509 119.914 0.117 0.000 2.867 384 V HA -0.177 3.951 4.120 0.015 0.000 0.260 384 V C 1.761 177.921 176.094 0.110 0.000 1.099 384 V CA 1.687 64.051 62.300 0.106 0.000 1.122 384 V CB -0.773 31.108 31.823 0.096 0.000 0.708 384 V HN 0.413 nan 8.190 nan 0.000 0.490 385 R N -1.362 119.202 120.500 0.106 0.000 2.549 385 R HA 0.328 4.677 4.340 0.015 0.000 0.344 385 R C 0.686 177.107 176.300 0.202 0.000 0.979 385 R CA -0.403 55.783 56.100 0.144 0.000 1.140 385 R CB 0.343 30.655 30.300 0.020 0.000 1.377 385 R HN 0.264 nan 8.270 nan 0.000 0.541 386 R N 1.318 121.884 120.500 0.110 0.000 3.653 386 R HA -0.274 4.074 4.340 0.015 0.000 0.258 386 R C -0.227 176.075 176.300 0.003 0.000 1.104 386 R CA 1.224 57.366 56.100 0.069 0.000 0.730 386 R CB -1.320 29.049 30.300 0.115 0.000 1.090 386 R HN 0.376 nan 8.270 nan 0.000 0.490 387 R N -2.855 117.548 120.500 -0.161 0.000 3.643 387 R HA -0.136 4.213 4.340 0.015 0.000 0.466 387 R C -0.294 176.147 176.300 0.236 0.000 0.985 387 R CA 0.997 57.020 56.100 -0.128 0.000 1.148 387 R CB -0.985 29.311 30.300 -0.007 0.000 1.841 387 R HN 0.278 nan 8.270 nan 0.000 0.510 388 R N 1.923 122.581 120.500 0.263 0.000 2.247 388 R HA 0.454 4.803 4.340 0.015 0.000 0.329 388 R C 0.001 176.475 176.300 0.289 0.000 1.014 388 R CA -0.401 55.908 56.100 0.347 0.000 0.907 388 R CB 0.486 31.070 30.300 0.473 0.000 1.146 388 R HN 0.297 nan 8.270 nan 0.000 0.499 389 I N -1.256 119.374 120.570 0.099 0.000 2.957 389 I HA 0.592 4.771 4.170 0.015 0.000 0.310 389 I C -0.665 175.385 176.117 -0.111 0.000 1.063 389 I CA -0.847 60.455 61.300 0.003 0.000 1.033 389 I CB 2.541 40.459 38.000 -0.136 0.000 1.230 389 I HN 0.338 nan 8.210 nan 0.000 0.447 390 S N 3.731 119.447 115.700 0.028 0.000 2.399 390 S HA 0.462 4.941 4.470 0.015 0.000 0.215 390 S C 0.795 175.404 174.600 0.014 0.000 1.456 390 S CA -0.771 57.444 58.200 0.026 0.000 1.199 390 S CB 0.025 63.302 63.200 0.129 0.000 1.063 390 S HN 0.747 nan 8.310 nan 0.000 0.476 391 L N 2.638 123.763 121.223 -0.164 0.000 1.976 391 L HA -0.229 4.120 4.340 0.015 0.000 0.223 391 L C 2.416 179.236 176.870 -0.084 0.000 1.081 391 L CA 2.355 57.079 54.840 -0.193 0.000 0.784 391 L CB -1.286 40.562 42.059 -0.352 0.000 0.896 391 L HN 0.801 nan 8.230 nan 0.000 0.438 392 H N 0.367 119.360 119.070 -0.128 0.000 2.277 392 H HA -0.314 4.251 4.556 0.015 0.000 0.281 392 H C 1.832 177.193 175.328 0.054 0.000 1.125 392 H CA 2.690 58.743 56.048 0.010 0.000 1.165 392 H CB -0.383 29.438 29.762 0.099 0.000 1.364 392 H HN 0.395 nan 8.280 nan 0.000 0.489 393 D N -0.037 120.413 120.400 0.085 0.000 2.117 393 D HA -0.126 4.523 4.640 0.015 0.000 0.197 393 D C 2.448 178.772 176.300 0.040 0.000 0.987 393 D CA 1.234 55.269 54.000 0.058 0.000 0.829 393 D CB -0.341 40.583 40.800 0.206 0.000 0.961 393 D HN 0.400 nan 8.370 nan 0.000 0.460 394 L N -0.493 120.742 121.223 0.019 0.000 2.283 394 L HA -0.233 4.116 4.340 0.015 0.000 0.217 394 L C 0.815 177.569 176.870 -0.193 0.000 1.104 394 L CA 1.157 55.889 54.840 -0.179 0.000 0.772 394 L CB -0.254 41.647 42.059 -0.264 0.000 0.899 394 L HN 0.246 nan 8.230 nan 0.000 0.439 395 Y N -1.420 118.750 120.300 -0.218 0.000 2.696 395 Y HA 0.335 4.894 4.550 0.015 0.000 0.260 395 Y C 0.585 176.393 175.900 -0.153 0.000 1.165 395 Y CA -0.484 57.510 58.100 -0.177 0.000 1.189 395 Y CB 0.292 38.650 38.460 -0.169 0.000 1.180 395 Y HN -0.034 nan 8.280 nan 0.000 0.538 396 R N -0.732 119.746 120.500 -0.036 0.000 2.513 396 R HA 0.309 4.658 4.340 0.015 0.000 0.301 396 R C 0.869 177.134 176.300 -0.060 0.000 0.968 396 R CA -0.017 56.047 56.100 -0.061 0.000 0.872 396 R CB 1.244 31.471 30.300 -0.123 0.000 1.177 396 R HN 0.087 nan 8.270 nan 0.000 0.444 397 T N 2.338 116.865 114.554 -0.045 0.000 2.760 397 T HA -0.161 4.197 4.350 0.015 0.000 0.269 397 T C 0.031 174.697 174.700 -0.056 0.000 1.047 397 T CA 1.522 63.594 62.100 -0.046 0.000 1.139 397 T CB -0.004 68.849 68.868 -0.024 0.000 0.855 397 T HN 0.423 nan 8.240 nan 0.000 0.471 398 K N 1.026 121.393 120.400 -0.055 0.000 2.579 398 K HA 0.543 4.872 4.320 0.015 0.000 0.225 398 K C 0.039 176.593 176.600 -0.078 0.000 0.992 398 K CA -0.530 55.716 56.287 -0.068 0.000 1.018 398 K CB 1.908 34.384 32.500 -0.039 0.000 1.249 398 K HN 0.227 nan 8.250 nan 0.000 0.489 399 G N 0.737 109.463 108.800 -0.123 0.000 3.135 399 G HA2 0.299 4.268 3.960 0.015 0.000 0.278 399 G HA3 0.299 4.268 3.960 0.015 0.000 0.278 399 G C 0.428 175.163 174.900 -0.276 0.000 1.302 399 G CA -0.908 44.117 45.100 -0.125 0.000 0.880 399 G HN 0.523 nan 8.290 nan 0.000 0.574 400 I N -2.113 118.228 120.570 -0.381 0.000 3.605 400 I HA 0.323 4.502 4.170 0.015 0.000 0.301 400 I C 0.138 175.584 176.117 -1.118 0.000 1.267 400 I CA 0.392 61.301 61.300 -0.651 0.000 1.236 400 I CB -0.291 37.327 38.000 -0.636 0.000 1.010 400 I HN 0.331 nan 8.210 nan 0.000 0.491 401 Y N -0.007 119.914 120.300 -0.631 0.000 2.707 401 Y HA 0.270 4.829 4.550 0.015 0.000 0.249 401 Y C 1.828 177.291 175.900 -0.729 0.000 1.166 401 Y CA -0.334 57.296 58.100 -0.783 0.000 1.184 401 Y CB 0.483 38.744 38.460 -0.332 0.000 1.240 401 Y HN 0.066 nan 8.280 nan 0.000 0.547 402 T N -1.373 112.784 114.554 -0.662 0.000 2.939 402 T HA -0.003 4.356 4.350 0.015 0.000 0.254 402 T C 0.168 174.595 174.700 -0.456 0.000 1.041 402 T CA 0.845 62.706 62.100 -0.399 0.000 1.142 402 T CB -0.179 68.511 68.868 -0.296 0.000 0.874 402 T HN 0.294 nan 8.240 nan 0.000 0.452 403 Y N -0.564 119.174 120.300 -0.936 0.000 2.892 403 Y HA -0.284 4.274 4.550 0.015 0.000 0.465 403 Y C 0.162 175.518 175.900 -0.907 0.000 1.195 403 Y CA -0.059 56.960 58.100 -1.801 0.000 2.512 403 Y CB -1.067 36.869 38.460 -0.874 0.000 1.230 403 Y HN 0.264 nan 8.280 nan 0.000 0.633 404 W N 3.839 125.163 121.300 0.040 0.000 2.611 404 W HA 0.198 4.867 4.660 0.014 0.000 0.444 404 W C 0.973 177.641 176.519 0.249 0.000 1.103 404 W CA 0.821 58.349 57.345 0.304 0.000 1.638 404 W CB -0.360 29.400 29.460 0.500 0.000 1.697 404 W HN 0.413 nan 8.180 nan 0.000 0.409 405 R N 1.256 121.919 120.500 0.272 0.000 3.405 405 R HA -0.223 4.126 4.340 0.015 0.000 0.258 405 R C 0.911 177.306 176.300 0.158 0.000 1.030 405 R CA 0.942 57.159 56.100 0.196 0.000 0.691 405 R CB -1.336 29.107 30.300 0.239 0.000 1.093 405 R HN 0.803 nan 8.270 nan 0.000 0.448 406 G N -1.363 107.488 108.800 0.085 0.000 2.204 406 G HA2 -0.181 3.788 3.960 0.015 0.000 0.244 406 G HA3 -0.181 3.788 3.960 0.015 0.000 0.244 406 G C -0.313 174.617 174.900 0.050 0.000 1.062 406 G CA -0.188 44.936 45.100 0.039 0.000 0.798 406 G HN 0.529 nan 8.290 nan 0.000 0.496 407 V N -0.441 119.542 119.914 0.115 0.000 3.098 407 V HA 0.533 4.662 4.120 0.015 0.000 0.294 407 V C -0.771 175.350 176.094 0.045 0.000 1.351 407 V CA -1.194 61.061 62.300 -0.076 0.000 0.999 407 V CB 2.138 33.646 31.823 -0.526 0.000 1.104 407 V HN 0.292 nan 8.190 nan 0.000 0.438 408 N N 1.462 120.077 118.700 -0.142 0.000 3.044 408 N HA 0.193 4.942 4.740 0.015 0.000 0.254 408 N C 0.295 175.761 175.510 -0.074 0.000 1.253 408 N CA -0.429 52.565 53.050 -0.094 0.000 0.944 408 N CB 0.552 38.791 38.487 -0.413 0.000 1.217 408 N HN 0.754 nan 8.380 nan 0.000 0.498 409 W N 1.199 122.543 121.300 0.074 0.000 2.387 409 W HA -0.064 4.605 4.660 0.015 0.000 0.272 409 W C 1.803 178.310 176.519 -0.021 0.000 1.224 409 W CA 0.193 57.528 57.345 -0.017 0.000 1.210 409 W CB -0.086 29.291 29.460 -0.138 0.000 1.125 409 W HN 0.253 nan 8.180 nan 0.000 0.572 410 V N 0.250 120.272 119.914 0.179 0.000 3.510 410 V HA -0.009 4.120 4.120 0.015 0.000 0.270 410 V C 1.839 178.000 176.094 0.111 0.000 1.201 410 V CA 1.443 63.848 62.300 0.175 0.000 1.166 410 V CB -1.050 30.976 31.823 0.338 0.000 0.825 410 V HN 0.232 nan 8.190 nan 0.000 0.484 411 A N -0.656 122.193 122.820 0.048 0.000 2.013 411 A HA 0.251 4.580 4.320 0.015 0.000 0.204 411 A C 1.939 179.542 177.584 0.032 0.000 1.262 411 A CA 0.226 52.254 52.037 -0.015 0.000 0.800 411 A CB -0.083 18.746 19.000 -0.285 0.000 0.909 411 A HN 0.383 nan 8.150 nan 0.000 0.472 412 L N -0.226 121.062 121.223 0.107 0.000 2.131 412 L HA -0.183 4.166 4.340 0.015 0.000 0.210 412 L C 2.955 179.993 176.870 0.279 0.000 1.092 412 L CA 1.170 56.157 54.840 0.245 0.000 0.759 412 L CB -0.360 41.804 42.059 0.175 0.000 0.903 412 L HN 0.467 nan 8.230 nan 0.000 0.435 413 A N -0.714 122.229 122.820 0.206 0.000 1.968 413 A HA -0.087 4.242 4.320 0.015 0.000 0.217 413 A C 2.135 179.813 177.584 0.157 0.000 1.169 413 A CA 0.959 53.095 52.037 0.165 0.000 0.638 413 A CB -0.513 18.549 19.000 0.102 0.000 0.812 413 A HN 0.205 nan 8.150 nan 0.000 0.446 414 V N -1.273 118.740 119.914 0.166 0.000 3.241 414 V HA -0.195 3.934 4.120 0.015 0.000 0.269 414 V C 2.022 178.236 176.094 0.199 0.000 1.151 414 V CA 1.652 64.047 62.300 0.158 0.000 1.158 414 V CB -1.094 30.850 31.823 0.201 0.000 0.764 414 V HN 0.708 nan 8.190 nan 0.000 0.508 415 Y N 0.923 121.292 120.300 0.115 0.000 2.266 415 Y HA 0.159 4.718 4.550 0.015 0.000 0.294 415 Y C 2.399 178.372 175.900 0.122 0.000 1.127 415 Y CA 1.015 59.201 58.100 0.143 0.000 1.140 415 Y CB -0.405 38.188 38.460 0.221 0.000 1.071 415 Y HN 0.124 nan 8.280 nan 0.000 0.525 416 A N -0.528 122.420 122.820 0.214 0.000 1.883 416 A HA -0.164 4.165 4.320 0.015 0.000 0.217 416 A C 2.128 179.747 177.584 0.058 0.000 1.186 416 A CA 2.229 54.339 52.037 0.122 0.000 0.624 416 A CB -1.307 17.780 19.000 0.145 0.000 0.822 416 A HN 0.282 nan 8.150 nan 0.000 0.444 417 V N -0.643 119.306 119.914 0.059 0.000 3.217 417 V HA -0.011 4.118 4.120 0.015 0.000 0.264 417 V C 2.460 178.568 176.094 0.023 0.000 1.135 417 V CA 1.384 63.706 62.300 0.037 0.000 1.142 417 V CB -0.531 31.308 31.823 0.027 0.000 0.754 417 V HN 0.614 nan 8.190 nan 0.000 0.484 418 A N -1.156 121.667 122.820 0.004 0.000 2.220 418 A HA 0.242 4.571 4.320 0.015 0.000 0.211 418 A C 1.977 179.521 177.584 -0.067 0.000 1.176 418 A CA 0.285 52.309 52.037 -0.023 0.000 0.834 418 A CB 0.060 19.049 19.000 -0.018 0.000 0.868 418 A HN 0.410 nan 8.150 nan 0.000 0.488 419 L N -0.982 120.192 121.223 -0.081 0.000 2.168 419 L HA 0.080 4.429 4.340 0.015 0.000 0.203 419 L C 2.647 179.599 176.870 0.137 0.000 1.078 419 L CA 1.384 56.180 54.840 -0.073 0.000 0.780 419 L CB -0.449 41.535 42.059 -0.125 0.000 0.939 419 L HN 0.375 nan 8.230 nan 0.000 0.451 420 A N -0.388 122.537 122.820 0.175 0.000 1.902 420 A HA -0.148 4.181 4.320 0.015 0.000 0.217 420 A C 2.075 179.804 177.584 0.243 0.000 1.181 420 A CA 1.630 53.828 52.037 0.269 0.000 0.623 420 A CB -0.791 18.260 19.000 0.086 0.000 0.818 420 A HN 0.303 nan 8.150 nan 0.000 0.443 421 V N -0.234 119.747 119.914 0.113 0.000 2.913 421 V HA -0.146 3.983 4.120 0.015 0.000 0.260 421 V C 2.598 178.726 176.094 0.056 0.000 1.098 421 V CA 1.969 64.312 62.300 0.071 0.000 1.121 421 V CB -0.400 31.440 31.823 0.029 0.000 0.714 421 V HN 0.620 nan 8.190 nan 0.000 0.487 422 S N -0.699 115.024 115.700 0.037 0.000 2.436 422 S HA -0.030 4.449 4.470 0.015 0.000 0.228 422 S C 1.651 176.190 174.600 -0.102 0.000 1.014 422 S CA 0.856 59.017 58.200 -0.065 0.000 0.950 422 S CB -0.296 62.815 63.200 -0.148 0.000 0.784 422 S HN 0.577 nan 8.310 nan 0.000 0.504 423 F N 1.487 121.429 119.950 -0.012 0.000 2.502 423 F HA 0.193 4.730 4.527 0.016 0.000 0.298 423 F C 1.495 177.294 175.800 -0.003 0.000 1.111 423 F CA 0.597 58.592 58.000 -0.008 0.000 1.445 423 F CB -0.123 38.870 39.000 -0.013 0.000 1.081 423 F HN 0.174 nan 8.300 nan 0.000 0.558 424 L N -0.140 121.171 121.223 0.147 0.000 2.610 424 L HA 0.034 4.383 4.340 0.015 0.000 0.232 424 L C 0.422 177.326 176.870 0.056 0.000 1.149 424 L CA 0.713 55.608 54.840 0.091 0.000 0.872 424 L CB -1.089 41.010 42.059 0.066 0.000 0.992 424 L HN 0.169 nan 8.230 nan 0.000 0.447 425 T N -5.555 109.023 114.554 0.039 0.000 3.751 425 T HA 0.239 4.598 4.350 0.015 0.000 0.240 425 T C -2.176 172.532 174.700 0.012 0.000 1.004 425 T CA -1.001 61.115 62.100 0.027 0.000 1.645 425 T CB 0.984 69.864 68.868 0.020 0.000 0.763 425 T HN -0.226 nan 8.240 nan 0.000 0.625 426 P HA -0.163 nan 4.420 nan 0.000 0.220 426 P C 0.937 178.244 177.300 0.011 0.000 1.155 426 P CA 1.466 64.562 63.100 -0.005 0.000 0.880 426 P CB 0.039 31.751 31.700 0.020 0.000 0.790 427 D N -1.870 118.552 120.400 0.037 0.000 2.348 427 D HA 0.009 4.658 4.640 0.015 0.000 0.216 427 D C 1.213 177.548 176.300 0.059 0.000 0.970 427 D CA 0.823 54.857 54.000 0.058 0.000 0.889 427 D CB -0.163 40.679 40.800 0.069 0.000 0.912 427 D HN 0.259 nan 8.370 nan 0.000 0.524 428 L N -0.550 120.701 121.223 0.046 0.000 3.298 428 L HA 0.285 4.634 4.340 0.015 0.000 0.296 428 L C 1.629 178.524 176.870 0.041 0.000 1.237 428 L CA -0.116 54.755 54.840 0.051 0.000 1.038 428 L CB 0.233 42.312 42.059 0.034 0.000 1.423 428 L HN -0.105 nan 8.230 nan 0.000 0.605 429 M N 0.009 119.622 119.600 0.022 0.000 2.146 429 M HA -0.336 4.153 4.480 0.015 0.000 0.251 429 M C 2.149 178.471 176.300 0.038 0.000 1.083 429 M CA 2.422 57.706 55.300 -0.026 0.000 1.076 429 M CB -0.212 32.341 32.600 -0.078 0.000 1.332 429 M HN 0.433 nan 8.290 nan 0.000 0.400 430 F N 0.003 119.924 119.950 -0.049 0.000 2.039 430 F HA -0.143 4.391 4.527 0.012 0.000 0.294 430 F C 2.018 177.818 175.800 -0.000 0.000 1.130 430 F CA 1.611 59.599 58.000 -0.022 0.000 1.189 430 F CB -0.888 38.117 39.000 0.008 0.000 0.983 430 F HN -0.161 nan 8.300 nan 0.000 0.471 431 V N 0.037 119.807 119.914 -0.239 0.000 2.688 431 V HA -0.297 3.832 4.120 0.015 0.000 0.256 431 V C 2.252 178.228 176.094 -0.198 0.000 1.084 431 V CA 2.215 64.327 62.300 -0.313 0.000 1.103 431 V CB -1.145 30.611 31.823 -0.112 0.000 0.688 431 V HN 0.473 nan 8.190 nan 0.000 0.480 432 T N 0.125 114.608 114.554 -0.119 0.000 2.698 432 T HA -0.059 4.299 4.350 0.015 0.000 0.260 432 T C 1.973 176.616 174.700 -0.095 0.000 1.044 432 T CA 1.484 63.537 62.100 -0.079 0.000 1.149 432 T CB -0.670 68.171 68.868 -0.044 0.000 0.864 432 T HN 0.585 nan 8.240 nan 0.000 0.419 433 G N 1.639 110.374 108.800 -0.109 0.000 2.476 433 G HA2 -0.210 3.759 3.960 0.015 0.000 0.218 433 G HA3 -0.210 3.759 3.960 0.015 0.000 0.218 433 G C 1.537 176.373 174.900 -0.107 0.000 1.164 433 G CA 1.200 46.238 45.100 -0.103 0.000 0.768 433 G HN 0.460 nan 8.290 nan 0.000 0.560 434 L N 0.473 121.585 121.223 -0.184 0.000 1.932 434 L HA -0.092 4.257 4.340 0.015 0.000 0.217 434 L C 2.604 179.423 176.870 -0.085 0.000 1.077 434 L CA 1.663 56.408 54.840 -0.158 0.000 0.765 434 L CB -0.367 41.489 42.059 -0.338 0.000 0.888 434 L HN 0.101 nan 8.230 nan 0.000 0.433 435 I N 0.576 121.086 120.570 -0.101 0.000 2.597 435 I HA -0.301 3.878 4.170 0.015 0.000 0.262 435 I C 2.548 178.647 176.117 -0.029 0.000 1.194 435 I CA 1.420 62.688 61.300 -0.053 0.000 1.437 435 I CB -2.170 35.798 38.000 -0.053 0.000 1.096 435 I HN 0.537 nan 8.210 nan 0.000 0.451 436 A N 1.002 123.801 122.820 -0.034 0.000 1.831 436 A HA 0.071 4.400 4.320 0.015 0.000 0.213 436 A C 2.571 180.162 177.584 0.011 0.000 1.223 436 A CA 1.400 53.429 52.037 -0.013 0.000 0.604 436 A CB -0.974 18.012 19.000 -0.023 0.000 0.878 436 A HN 0.350 nan 8.150 nan 0.000 0.450 437 A N -0.405 122.423 122.820 0.013 0.000 2.024 437 A HA -0.085 4.244 4.320 0.015 0.000 0.220 437 A C 2.171 179.795 177.584 0.066 0.000 1.164 437 A CA 1.539 53.608 52.037 0.054 0.000 0.643 437 A CB -0.691 18.351 19.000 0.070 0.000 0.806 437 A HN 0.639 nan 8.150 nan 0.000 0.451 438 L N -0.865 120.381 121.223 0.039 0.000 1.994 438 L HA -0.140 4.209 4.340 0.015 0.000 0.208 438 L C 2.289 179.199 176.870 0.067 0.000 1.071 438 L CA 1.681 56.546 54.840 0.042 0.000 0.745 438 L CB -0.175 41.889 42.059 0.009 0.000 0.892 438 L HN 0.424 nan 8.230 nan 0.000 0.431 439 L N -0.764 120.486 121.223 0.046 0.000 2.270 439 L HA -0.089 4.260 4.340 0.015 0.000 0.210 439 L C 2.125 179.029 176.870 0.056 0.000 1.104 439 L CA 0.311 55.177 54.840 0.043 0.000 0.804 439 L CB -0.108 41.963 42.059 0.020 0.000 0.937 439 L HN 0.279 nan 8.230 nan 0.000 0.450 440 L N -0.957 120.305 121.223 0.064 0.000 2.599 440 L HA -0.091 4.258 4.340 0.015 0.000 0.230 440 L C 2.044 178.975 176.870 0.102 0.000 1.141 440 L CA 0.230 55.106 54.840 0.061 0.000 0.877 440 L CB -0.442 41.647 42.059 0.050 0.000 1.009 440 L HN 0.311 nan 8.230 nan 0.000 0.447 441 H N 0.254 119.334 119.070 0.017 0.000 2.379 441 H HA 0.065 4.630 4.556 0.015 0.000 0.308 441 H C 2.186 177.531 175.328 0.030 0.000 1.047 441 H CA 0.930 56.987 56.048 0.015 0.000 1.371 441 H CB 0.209 29.974 29.762 0.004 0.000 1.449 441 H HN 0.027 nan 8.280 nan 0.000 0.564 442 I N 1.014 121.622 120.570 0.064 0.000 2.147 442 I HA -0.274 3.905 4.170 0.015 0.000 0.245 442 I C -0.623 175.482 176.117 -0.019 0.000 1.059 442 I CA 1.791 63.098 61.300 0.012 0.000 1.320 442 I CB -1.143 36.886 38.000 0.049 0.000 1.021 442 I HN 0.347 nan 8.210 nan 0.000 0.415 443 P HA -0.003 nan 4.420 nan 0.000 0.231 443 P C 0.983 178.300 177.300 0.028 0.000 1.168 443 P CA 1.027 64.138 63.100 0.018 0.000 0.779 443 P CB 0.108 31.814 31.700 0.011 0.000 0.844 444 A N -1.632 121.172 122.820 -0.027 0.000 2.251 444 A HA 0.095 4.424 4.320 0.015 0.000 0.209 444 A C 1.749 179.330 177.584 -0.004 0.000 1.187 444 A CA 0.893 52.933 52.037 0.005 0.000 0.823 444 A CB -0.744 18.239 19.000 -0.028 0.000 0.846 444 A HN 0.028 nan 8.150 nan 0.000 0.486 445 M N -1.487 118.049 119.600 -0.107 0.000 2.331 445 M HA 0.238 4.727 4.480 0.015 0.000 0.266 445 M C 1.054 177.371 176.300 0.028 0.000 1.055 445 M CA 0.443 55.684 55.300 -0.099 0.000 1.048 445 M CB -0.080 32.373 32.600 -0.244 0.000 1.460 445 M HN 0.134 nan 8.290 nan 0.000 0.519 446 R N -1.544 119.000 120.500 0.074 0.000 2.388 446 R HA 0.012 4.361 4.340 0.015 0.000 0.247 446 R C 1.052 177.455 176.300 0.171 0.000 0.931 446 R CA 0.231 56.389 56.100 0.097 0.000 1.082 446 R CB -0.158 30.192 30.300 0.085 0.000 1.135 446 R HN 0.441 nan 8.270 nan 0.000 0.525 447 W N -1.061 120.251 121.300 0.020 0.000 2.942 447 W HA 0.090 4.758 4.660 0.015 0.000 0.260 447 W C 1.030 177.612 176.519 0.105 0.000 1.101 447 W CA 0.121 57.495 57.345 0.049 0.000 1.436 447 W CB 0.483 29.968 29.460 0.041 0.000 0.883 447 W HN -0.239 nan 8.180 nan 0.000 0.646 448 V N 1.257 121.243 119.914 0.120 0.000 2.878 448 V HA 0.010 4.139 4.120 0.015 0.000 0.250 448 V C 2.270 178.360 176.094 -0.005 0.000 1.075 448 V CA 1.583 63.935 62.300 0.088 0.000 1.096 448 V CB -1.046 30.927 31.823 0.250 0.000 0.724 448 V HN 0.178 nan 8.190 nan 0.000 0.467 449 A N 0.064 122.886 122.820 0.005 0.000 2.125 449 A HA -0.168 4.161 4.320 0.015 0.000 0.219 449 A C 2.172 179.709 177.584 -0.078 0.000 1.156 449 A CA 1.397 53.431 52.037 -0.005 0.000 0.671 449 A CB -0.350 18.665 19.000 0.024 0.000 0.794 449 A HN 0.535 nan 8.150 nan 0.000 0.459 450 K N -1.083 119.227 120.400 -0.151 0.000 2.418 450 K HA 0.029 4.358 4.320 0.015 0.000 0.195 450 K C 1.051 177.475 176.600 -0.294 0.000 1.035 450 K CA 1.237 57.409 56.287 -0.191 0.000 1.003 450 K CB 0.158 32.536 32.500 -0.203 0.000 0.793 450 K HN 0.473 nan 8.250 nan 0.000 0.494 451 T N -0.516 113.795 114.554 -0.406 0.000 3.026 451 T HA 0.198 4.557 4.350 0.015 0.000 0.245 451 T C 0.031 174.106 174.700 -1.042 0.000 1.004 451 T CA 0.265 61.934 62.100 -0.718 0.000 1.069 451 T CB 0.232 68.608 68.868 -0.821 0.000 1.005 451 T HN -0.093 nan 8.240 nan 0.000 0.472 452 F N 2.037 121.854 119.950 -0.222 0.000 2.563 452 F HA 0.491 5.027 4.527 0.015 0.000 0.316 452 F C -2.421 173.292 175.800 -0.145 0.000 1.076 452 F CA -2.691 55.192 58.000 -0.195 0.000 0.921 452 F CB 1.605 40.515 39.000 -0.149 0.000 1.209 452 F HN -0.230 nan 8.300 nan 0.000 0.462 453 P HA 0.116 nan 4.420 nan 0.000 0.269 453 P C 0.070 177.293 177.300 -0.129 0.000 1.209 453 P CA 0.024 63.096 63.100 -0.047 0.000 0.776 453 P CB 1.316 32.971 31.700 -0.076 0.000 0.876 454 L N 0.229 121.368 121.223 -0.140 0.000 2.408 454 L HA 0.193 4.542 4.340 0.015 0.000 0.215 454 L C 0.717 177.072 176.870 -0.859 0.000 1.081 454 L CA 0.762 55.324 54.840 -0.464 0.000 0.840 454 L CB -0.290 41.487 42.059 -0.470 0.000 1.002 454 L HN 0.268 nan 8.230 nan 0.000 0.468 455 F N -0.485 119.412 119.950 -0.088 0.000 2.876 455 F HA 0.614 5.149 4.527 0.014 0.000 0.358 455 F C 0.188 175.924 175.800 -0.105 0.000 1.209 455 F CA -0.883 57.071 58.000 -0.077 0.000 1.051 455 F CB 1.227 40.211 39.000 -0.027 0.000 1.474 455 F HN -0.210 nan 8.300 nan 0.000 0.521 456 S N -1.729 114.057 115.700 0.143 0.000 2.565 456 S HA 0.300 4.779 4.470 0.015 0.000 0.274 456 S C -0.577 174.047 174.600 0.039 0.000 1.144 456 S CA -0.887 57.339 58.200 0.044 0.000 0.849 456 S CB 1.480 64.674 63.200 -0.010 0.000 1.103 456 S HN 0.639 nan 8.310 nan 0.000 0.455 457 E N 0.788 120.991 120.200 0.006 0.000 2.347 457 E HA 0.017 4.376 4.350 0.015 0.000 0.196 457 E C 1.752 178.328 176.600 -0.040 0.000 1.008 457 E CA 0.879 57.272 56.400 -0.012 0.000 0.852 457 E CB -0.190 29.496 29.700 -0.023 0.000 0.783 457 E HN 0.747 nan 8.360 nan 0.000 0.505 458 A N 1.848 124.630 122.820 -0.063 0.000 2.235 458 A HA -0.130 4.199 4.320 0.015 0.000 0.208 458 A C 1.895 179.450 177.584 -0.050 0.000 1.172 458 A CA 0.533 52.472 52.037 -0.163 0.000 0.786 458 A CB -0.433 18.366 19.000 -0.335 0.000 0.804 458 A HN 0.348 nan 8.150 nan 0.000 0.479 459 E N 0.481 120.685 120.200 0.007 0.000 2.208 459 E HA -0.158 4.201 4.350 0.015 0.000 0.193 459 E C 1.690 178.309 176.600 0.032 0.000 0.988 459 E CA 1.248 57.659 56.400 0.019 0.000 0.828 459 E CB -0.565 29.149 29.700 0.024 0.000 0.763 459 E HN 0.573 nan 8.360 nan 0.000 0.478 460 S N 1.231 116.947 115.700 0.027 0.000 2.440 460 S HA -0.128 4.351 4.470 0.015 0.000 0.240 460 S C 1.850 176.487 174.600 0.063 0.000 1.014 460 S CA 0.699 58.925 58.200 0.043 0.000 0.980 460 S CB -0.385 62.825 63.200 0.017 0.000 0.775 460 S HN 0.254 nan 8.310 nan 0.000 0.499 461 R N 1.214 121.751 120.500 0.060 0.000 2.275 461 R HA 0.173 4.522 4.340 0.015 0.000 0.199 461 R C 1.404 177.834 176.300 0.216 0.000 0.989 461 R CA 0.265 56.426 56.100 0.103 0.000 1.016 461 R CB -0.570 29.793 30.300 0.105 0.000 0.918 461 R HN 0.424 nan 8.270 nan 0.000 0.473 462 N N 1.778 120.589 118.700 0.186 0.000 2.036 462 N HA -0.220 4.529 4.740 0.015 0.000 0.199 462 N C 1.528 177.246 175.510 0.347 0.000 1.036 462 N CA 1.513 54.694 53.050 0.218 0.000 0.870 462 N CB -0.177 38.368 38.487 0.096 0.000 1.055 462 N HN 0.197 nan 8.380 nan 0.000 0.436 463 E N 0.975 121.368 120.200 0.321 0.000 2.097 463 E HA -0.172 4.187 4.350 0.015 0.000 0.196 463 E C 1.450 178.186 176.600 0.227 0.000 1.000 463 E CA 0.993 57.580 56.400 0.311 0.000 0.804 463 E CB -0.635 29.205 29.700 0.234 0.000 0.740 463 E HN 0.382 nan 8.360 nan 0.000 0.454 464 D N -0.506 119.976 120.400 0.138 0.000 2.239 464 D HA -0.183 4.466 4.640 0.015 0.000 0.202 464 D C 1.571 177.819 176.300 -0.085 0.000 0.993 464 D CA 1.040 55.033 54.000 -0.011 0.000 0.874 464 D CB -0.278 40.447 40.800 -0.125 0.000 0.922 464 D HN 0.357 nan 8.370 nan 0.000 0.464 465 Y N -0.729 119.592 120.300 0.036 0.000 2.503 465 Y HA 0.221 4.780 4.550 0.015 0.000 0.278 465 Y C 2.046 177.930 175.900 -0.028 0.000 1.111 465 Y CA 0.180 58.271 58.100 -0.015 0.000 1.270 465 Y CB 0.239 38.665 38.460 -0.056 0.000 1.063 465 Y HN -0.048 nan 8.280 nan 0.000 0.548 466 L N -0.079 121.236 121.223 0.153 0.000 2.189 466 L HA 0.065 4.414 4.340 0.015 0.000 0.199 466 L C 1.201 178.153 176.870 0.137 0.000 1.074 466 L CA 0.147 54.943 54.840 -0.074 0.000 0.783 466 L CB -0.283 41.597 42.059 -0.298 0.000 0.955 466 L HN 0.038 nan 8.230 nan 0.000 0.460 467 R N 2.523 123.235 120.500 0.352 0.000 2.679 467 R HA 0.166 4.515 4.340 0.015 0.000 0.268 467 R C -2.336 174.072 176.300 0.179 0.000 1.044 467 R CA -1.337 54.965 56.100 0.337 0.000 1.105 467 R CB -0.647 29.783 30.300 0.216 0.000 0.989 467 R HN -0.039 nan 8.270 nan 0.000 0.447 468 P HA -0.048 nan 4.420 nan 0.000 0.269 468 P C -0.416 176.918 177.300 0.058 0.000 1.211 468 P CA 0.248 63.403 63.100 0.091 0.000 0.781 468 P CB 0.561 32.308 31.700 0.078 0.000 0.877 469 I N 0.595 121.188 120.570 0.039 0.000 2.406 469 I HA 0.625 4.803 4.170 0.015 0.000 0.290 469 I C 0.836 176.964 176.117 0.018 0.000 0.999 469 I CA -0.062 61.250 61.300 0.020 0.000 1.124 469 I CB 1.730 39.734 38.000 0.007 0.000 1.289 469 I HN 0.599 nan 8.210 nan 0.000 0.441 470 G N 4.465 113.272 108.800 0.013 0.000 2.428 470 G HA2 0.860 4.829 3.960 0.015 0.000 0.305 470 G HA3 0.860 4.829 3.960 0.015 0.000 0.305 470 G C -2.821 172.084 174.900 0.008 0.000 1.260 470 G CA 0.245 45.353 45.100 0.012 0.000 0.853 470 G HN 0.796 nan 8.290 nan 0.000 0.480 471 P HA 0.000 nan 4.420 nan 0.000 0.216 471 P CA 0.000 nan 63.100 nan 0.000 0.800 471 P CB 0.000 nan 31.700 nan 0.000 0.726