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 3ol8_1_I DATA FIRST_RESID 1 DATA SEQUENCE GEIQWMRPSK EVGYPIINAP SKTKLEPSAF HYVFEGVKEP AVLTKNDPRL DATA SEQUENCE KTDFEEAIFS KYVGNKITEV DEYMKEAVDH YAGQLMSLDI NTEQMCLEDA DATA SEQUENCE MYGTDGLEAL DLSTSAGYPY VAMGKKKRDI LNKQTRDTKE MQKLLDTYGI DATA SEQUENCE NLPLVTYVKD ELRSKTKVEQ GKSRLIEASS LNDSVAMRMA FGNLYAAFHK DATA SEQUENCE NPGVITGSAV GCDPDLFWSK IPVLMEEKLF AFDYTGYDAS LSPAWFEALK DATA SEQUENCE MVLEKIGFGD RVDYIDYLNH SHHLYKNKTY CVKGGMPSGC SGTSIFNSMI DATA SEQUENCE NNLIIRTLLL KTYKGIDLDH LKMIAYGDDV IASYPHEVDA SLLAQSGKDY DATA SEQUENCE GLTMTPADKS ATFETVTWEN VTFLKRFFRA DEKYPFLIHP VMPMKEIHES DATA SEQUENCE IRWTKDPRNT QDHVRSLCLL AWHNGEEEYN KFLAKIRSVP IGRALDLPEY DATA SEQUENCE STLYRRWLDS F 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 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 1 G C 0.000 174.957 174.900 0.095 0.000 0.946 1 G CA 0.000 45.167 45.100 0.111 0.000 0.502 2 E N 1.383 121.564 120.200 -0.031 0.000 2.340 2 E HA 0.638 4.989 4.350 0.001 0.000 0.273 2 E C -0.490 175.980 176.600 -0.217 0.000 0.891 2 E CA -1.194 55.163 56.400 -0.071 0.000 0.757 2 E CB 2.143 31.841 29.700 -0.004 0.000 1.231 2 E HN 0.489 nan 8.360 nan 0.000 0.439 3 I N 2.905 123.310 120.570 -0.275 0.000 2.618 3 I HA -0.065 4.106 4.170 0.001 0.000 0.284 3 I C 1.123 177.114 176.117 -0.208 0.000 1.146 3 I CA -0.337 60.770 61.300 -0.322 0.000 1.425 3 I CB 0.539 38.329 38.000 -0.350 0.000 1.383 3 I HN 0.597 nan 8.210 nan 0.000 0.562 4 Q N 6.319 125.965 119.800 -0.256 0.000 2.107 4 Q HA 0.055 4.395 4.340 0.001 0.000 0.195 4 Q C 0.285 176.335 176.000 0.083 0.000 0.964 4 Q CA 1.294 57.056 55.803 -0.067 0.000 0.833 4 Q CB 0.280 29.024 28.738 0.010 0.000 0.910 4 Q HN 0.788 nan 8.270 nan 0.000 0.465 5 W N -1.442 119.816 121.300 -0.070 0.000 3.429 5 W HA 0.748 5.409 4.660 0.001 0.000 0.355 5 W C -0.646 175.839 176.519 -0.056 0.000 1.131 5 W CA -0.874 56.437 57.345 -0.056 0.000 1.031 5 W CB 0.862 30.304 29.460 -0.030 0.000 1.534 5 W HN -0.205 nan 8.180 nan 0.000 0.605 6 M N 2.113 121.903 119.600 0.317 0.000 2.390 6 M HA 0.210 4.691 4.480 0.001 0.000 0.235 6 M C -1.301 175.109 176.300 0.183 0.000 0.977 6 M CA -0.114 55.272 55.300 0.143 0.000 0.868 6 M CB 2.847 35.402 32.600 -0.074 0.000 2.263 6 M HN 0.696 nan 8.290 nan 0.000 0.456 7 R N 2.753 123.384 120.500 0.218 0.000 2.664 7 R HA 0.694 5.035 4.340 0.001 0.000 0.260 7 R C -3.272 173.123 176.300 0.158 0.000 1.062 7 R CA -1.335 54.859 56.100 0.157 0.000 0.902 7 R CB 0.891 31.276 30.300 0.142 0.000 1.258 7 R HN 0.173 nan 8.270 nan 0.000 0.465 8 P HA -0.094 nan 4.420 nan 0.000 0.259 8 P C 0.185 177.567 177.300 0.136 0.000 1.155 8 P CA 0.668 63.834 63.100 0.109 0.000 0.759 8 P CB 0.695 32.440 31.700 0.076 0.000 0.753 9 S N 3.454 119.249 115.700 0.159 0.000 2.378 9 S HA -0.270 4.201 4.470 0.001 0.000 0.229 9 S C 1.592 176.282 174.600 0.150 0.000 1.052 9 S CA 1.570 59.891 58.200 0.201 0.000 1.084 9 S CB -0.428 62.883 63.200 0.184 0.000 0.950 9 S HN 0.559 nan 8.310 nan 0.000 0.440 10 K N 0.638 121.101 120.400 0.105 0.000 2.209 10 K HA -0.078 4.243 4.320 0.001 0.000 0.204 10 K C 1.797 178.417 176.600 0.033 0.000 1.048 10 K CA 0.887 57.213 56.287 0.064 0.000 0.940 10 K CB -0.088 32.446 32.500 0.057 0.000 0.729 10 K HN 0.413 nan 8.250 nan 0.000 0.451 11 E N 0.474 120.700 120.200 0.044 0.000 2.461 11 E HA -0.059 4.292 4.350 0.001 0.000 0.196 11 E C -0.327 176.270 176.600 -0.005 0.000 1.129 11 E CA 0.208 56.620 56.400 0.020 0.000 0.902 11 E CB 0.336 30.056 29.700 0.033 0.000 0.963 11 E HN -0.060 nan 8.360 nan 0.000 0.503 12 V N -0.734 119.165 119.914 -0.025 0.000 4.274 12 V HA 0.172 4.293 4.120 0.001 0.000 0.634 12 V C 0.593 176.509 176.094 -0.297 0.000 1.973 12 V CA 0.054 62.287 62.300 -0.112 0.000 2.674 12 V CB 0.792 32.601 31.823 -0.024 0.000 1.069 12 V HN 0.293 nan 8.190 nan 0.000 0.599 13 G N 0.134 108.823 108.800 -0.185 0.000 2.162 13 G HA2 -0.314 3.647 3.960 0.001 0.000 0.260 13 G HA3 -0.314 3.647 3.960 0.001 0.000 0.260 13 G C -0.166 174.635 174.900 -0.165 0.000 0.976 13 G CA 0.615 45.595 45.100 -0.200 0.000 0.655 13 G HN 0.474 nan 8.290 nan 0.000 0.533 14 Y N 0.861 121.180 120.300 0.031 0.000 2.419 14 Y HA 0.596 5.147 4.550 0.001 0.000 0.328 14 Y C -1.682 174.246 175.900 0.047 0.000 1.162 14 Y CA -2.783 55.327 58.100 0.017 0.000 1.174 14 Y CB 1.419 39.842 38.460 -0.062 0.000 1.228 14 Y HN -0.002 nan 8.280 nan 0.000 0.473 15 P HA 0.278 nan 4.420 nan 0.000 0.278 15 P C -0.826 176.550 177.300 0.126 0.000 1.266 15 P CA -0.452 62.751 63.100 0.172 0.000 0.807 15 P CB 1.001 32.805 31.700 0.173 0.000 1.094 16 I N 0.707 121.336 120.570 0.098 0.000 2.441 16 I HA 0.200 4.370 4.170 0.001 0.000 0.287 16 I C 0.403 176.558 176.117 0.063 0.000 1.049 16 I CA 0.343 61.689 61.300 0.077 0.000 1.381 16 I CB -0.121 37.922 38.000 0.071 0.000 1.409 16 I HN 0.112 nan 8.210 nan 0.000 0.523 17 I N 6.353 126.946 120.570 0.038 0.000 2.493 17 I HA 0.305 4.476 4.170 0.001 0.000 0.279 17 I C -0.763 175.356 176.117 0.003 0.000 1.045 17 I CA -0.588 60.728 61.300 0.026 0.000 1.106 17 I CB 0.691 38.687 38.000 -0.007 0.000 1.216 17 I HN 0.464 nan 8.210 nan 0.000 0.459 18 N N 5.220 123.943 118.700 0.038 0.000 2.425 18 N HA 0.534 5.274 4.740 0.001 0.000 0.268 18 N C -0.042 175.517 175.510 0.082 0.000 0.991 18 N CA -0.214 52.857 53.050 0.034 0.000 0.931 18 N CB 2.321 40.834 38.487 0.043 0.000 1.130 18 N HN 0.643 nan 8.380 nan 0.000 0.493 19 A N 3.323 126.205 122.820 0.105 0.000 2.296 19 A HA 0.556 4.877 4.320 0.001 0.000 0.264 19 A C -1.831 175.805 177.584 0.086 0.000 1.097 19 A CA -0.773 51.373 52.037 0.181 0.000 0.811 19 A CB -0.548 18.640 19.000 0.315 0.000 1.072 19 A HN 0.438 nan 8.150 nan 0.000 0.495 20 P HA 0.218 nan 4.420 nan 0.000 0.272 20 P C 0.294 177.616 177.300 0.037 0.000 1.240 20 P CA 0.012 63.131 63.100 0.031 0.000 0.791 20 P CB 0.686 32.389 31.700 0.005 0.000 0.978 21 S N -1.485 114.233 115.700 0.030 0.000 2.539 21 S HA 0.214 4.685 4.470 0.001 0.000 0.221 21 S C 0.261 174.870 174.600 0.015 0.000 0.987 21 S CA -0.163 58.056 58.200 0.032 0.000 0.929 21 S CB 0.008 63.229 63.200 0.035 0.000 0.832 21 S HN 0.330 nan 8.310 nan 0.000 0.492 22 K N 2.383 122.788 120.400 0.008 0.000 2.422 22 K HA 0.436 4.757 4.320 0.001 0.000 0.251 22 K C -0.387 176.208 176.600 -0.009 0.000 0.933 22 K CA -0.542 55.745 56.287 -0.000 0.000 0.798 22 K CB 1.860 34.364 32.500 0.006 0.000 1.238 22 K HN 0.237 nan 8.250 nan 0.000 0.428 23 T N -0.534 114.008 114.554 -0.020 0.000 2.900 23 T HA 0.100 4.451 4.350 0.001 0.000 0.307 23 T C 0.817 175.508 174.700 -0.016 0.000 1.065 23 T CA -0.317 61.763 62.100 -0.034 0.000 1.105 23 T CB 0.600 69.429 68.868 -0.065 0.000 0.979 23 T HN 0.394 nan 8.240 nan 0.000 0.544 24 K N 1.472 121.858 120.400 -0.022 0.000 2.459 24 K HA 0.206 4.526 4.320 0.001 0.000 0.193 24 K C 0.533 177.147 176.600 0.023 0.000 1.030 24 K CA 0.131 56.417 56.287 -0.002 0.000 1.026 24 K CB -0.200 32.292 32.500 -0.013 0.000 0.809 24 K HN 0.631 nan 8.250 nan 0.000 0.504 25 L N 3.041 124.266 121.223 0.004 0.000 2.369 25 L HA 0.067 4.408 4.340 0.001 0.000 0.279 25 L C 0.009 177.011 176.870 0.220 0.000 1.108 25 L CA 0.095 54.965 54.840 0.050 0.000 0.852 25 L CB 0.187 42.144 42.059 -0.170 0.000 1.169 25 L HN 0.083 nan 8.230 nan 0.000 0.452 26 E N 4.524 124.923 120.200 0.331 0.000 2.277 26 E HA 0.497 4.848 4.350 0.001 0.000 0.266 26 E C -2.645 174.195 176.600 0.401 0.000 0.901 26 E CA -2.641 53.967 56.400 0.348 0.000 0.782 26 E CB 1.099 30.894 29.700 0.159 0.000 1.228 26 E HN 0.238 nan 8.360 nan 0.000 0.424 27 P HA -0.094 nan 4.420 nan 0.000 0.263 27 P C -0.646 176.617 177.300 -0.062 0.000 1.175 27 P CA 0.378 63.315 63.100 -0.271 0.000 0.761 27 P CB 0.502 31.748 31.700 -0.757 0.000 0.794 28 S N 2.101 117.800 115.700 -0.003 0.000 2.713 28 S HA 0.559 5.029 4.470 0.001 0.000 0.283 28 S C 1.528 176.105 174.600 -0.039 0.000 1.161 28 S CA -0.160 58.072 58.200 0.054 0.000 0.999 28 S CB 1.025 64.337 63.200 0.187 0.000 1.039 28 S HN 0.435 nan 8.310 nan 0.000 0.548 29 A N 0.523 123.259 122.820 -0.139 0.000 1.985 29 A HA -0.117 4.203 4.320 0.001 0.000 0.223 29 A C 1.176 178.502 177.584 -0.431 0.000 1.189 29 A CA 1.709 53.517 52.037 -0.381 0.000 0.658 29 A CB -1.215 17.376 19.000 -0.682 0.000 0.820 29 A HN 0.795 nan 8.150 nan 0.000 0.464 30 F N -1.483 118.481 119.950 0.024 0.000 2.701 30 F HA 0.213 4.741 4.527 0.001 0.000 0.295 30 F C 1.521 177.335 175.800 0.023 0.000 1.165 30 F CA 0.342 58.395 58.000 0.089 0.000 1.399 30 F CB -0.773 38.345 39.000 0.196 0.000 0.996 30 F HN 0.394 nan 8.300 nan 0.000 0.513 31 H N -0.947 118.031 119.070 -0.153 0.000 2.387 31 H HA -0.158 4.399 4.556 0.001 0.000 0.299 31 H C 1.322 176.333 175.328 -0.529 0.000 1.090 31 H CA 2.150 57.899 56.048 -0.498 0.000 1.332 31 H CB 0.055 29.279 29.762 -0.896 0.000 1.386 31 H HN 0.379 nan 8.280 nan 0.000 0.516 32 Y N -2.014 118.332 120.300 0.076 0.000 2.507 32 Y HA 0.062 4.612 4.550 0.001 0.000 0.263 32 Y C 2.290 178.164 175.900 -0.043 0.000 1.093 32 Y CA 0.168 58.281 58.100 0.020 0.000 1.285 32 Y CB 0.537 39.005 38.460 0.013 0.000 1.115 32 Y HN 0.019 nan 8.280 nan 0.000 0.533 33 V N -0.201 119.745 119.914 0.053 0.000 2.287 33 V HA -0.248 3.873 4.120 0.001 0.000 0.248 33 V C 0.524 176.402 176.094 -0.359 0.000 1.053 33 V CA 1.518 63.711 62.300 -0.178 0.000 1.027 33 V CB -0.564 31.104 31.823 -0.258 0.000 0.646 33 V HN 0.078 nan 8.190 nan 0.000 0.447 34 F N -0.888 119.006 119.950 -0.093 0.000 2.497 34 F HA 0.527 5.055 4.527 0.001 0.000 0.331 34 F C 0.546 176.248 175.800 -0.163 0.000 1.060 34 F CA -0.917 56.972 58.000 -0.185 0.000 0.989 34 F CB 0.903 39.778 39.000 -0.208 0.000 1.245 34 F HN -0.086 nan 8.300 nan 0.000 0.486 35 E N -0.235 120.006 120.200 0.069 0.000 2.232 35 E HA 0.740 5.091 4.350 0.001 0.000 0.265 35 E C -0.552 176.082 176.600 0.056 0.000 1.001 35 E CA -0.923 55.500 56.400 0.038 0.000 0.870 35 E CB 1.976 31.705 29.700 0.049 0.000 1.175 35 E HN 0.797 nan 8.360 nan 0.000 0.407 36 G N -0.580 108.244 108.800 0.041 0.000 2.433 36 G HA2 0.229 4.189 3.960 0.001 0.000 0.306 36 G HA3 0.229 4.189 3.960 0.001 0.000 0.306 36 G C -0.413 174.545 174.900 0.096 0.000 1.627 36 G CA -0.599 44.547 45.100 0.078 0.000 0.893 36 G HN 0.438 nan 8.290 nan 0.000 0.648 37 V N -1.875 118.104 119.914 0.108 0.000 3.252 37 V HA 0.519 4.639 4.120 0.001 0.000 0.350 37 V C 0.414 176.584 176.094 0.127 0.000 1.329 37 V CA -0.262 62.103 62.300 0.108 0.000 1.258 37 V CB -0.742 31.129 31.823 0.080 0.000 1.208 37 V HN 0.431 nan 8.190 nan 0.000 0.462 38 K N 1.922 122.433 120.400 0.186 0.000 2.376 38 K HA 0.603 4.924 4.320 0.001 0.000 0.257 38 K C -0.418 176.314 176.600 0.220 0.000 0.939 38 K CA -0.356 56.023 56.287 0.153 0.000 0.809 38 K CB 2.142 34.695 32.500 0.089 0.000 1.121 38 K HN 0.641 nan 8.250 nan 0.000 0.425 39 E N 2.677 122.899 120.200 0.037 0.000 2.299 39 E HA 0.435 4.785 4.350 0.001 0.000 0.260 39 E C -2.691 173.658 176.600 -0.417 0.000 0.944 39 E CA -2.682 53.642 56.400 -0.126 0.000 0.815 39 E CB 0.863 30.605 29.700 0.071 0.000 1.252 39 E HN 0.151 nan 8.360 nan 0.000 0.418 40 P HA -0.015 nan 4.420 nan 0.000 0.267 40 P C -0.782 176.386 177.300 -0.221 0.000 1.200 40 P CA 0.340 63.193 63.100 -0.411 0.000 0.772 40 P CB 0.467 31.958 31.700 -0.349 0.000 0.855 41 A N 2.842 125.560 122.820 -0.170 0.000 2.296 41 A HA 0.288 4.608 4.320 0.001 0.000 0.264 41 A C -0.156 177.356 177.584 -0.120 0.000 1.097 41 A CA -0.402 51.567 52.037 -0.113 0.000 0.811 41 A CB 0.011 18.967 19.000 -0.073 0.000 1.072 41 A HN 0.375 nan 8.150 nan 0.000 0.495 42 V N 1.190 121.017 119.914 -0.145 0.000 2.572 42 V HA 0.071 4.192 4.120 0.001 0.000 0.291 42 V C 0.746 176.691 176.094 -0.248 0.000 1.039 42 V CA 0.188 62.321 62.300 -0.278 0.000 1.055 42 V CB 0.823 32.352 31.823 -0.490 0.000 0.969 42 V HN 0.774 nan 8.190 nan 0.000 0.482 43 L N 4.093 125.196 121.223 -0.201 0.000 2.537 43 L HA 0.243 4.584 4.340 0.001 0.000 0.224 43 L C 1.080 177.999 176.870 0.081 0.000 1.065 43 L CA 1.029 55.864 54.840 -0.008 0.000 0.860 43 L CB 0.279 42.340 42.059 0.002 0.000 1.086 43 L HN 0.944 nan 8.230 nan 0.000 0.482 44 T N -4.408 110.081 114.554 -0.109 0.000 2.865 44 T HA 0.312 4.663 4.350 0.001 0.000 0.294 44 T C 0.622 175.255 174.700 -0.110 0.000 1.119 44 T CA -0.635 61.499 62.100 0.057 0.000 1.007 44 T CB 1.790 70.689 68.868 0.051 0.000 1.225 44 T HN 0.130 nan 8.240 nan 0.000 0.515 45 K N 0.164 120.675 120.400 0.186 0.000 2.314 45 K HA 0.103 4.424 4.320 0.001 0.000 0.198 45 K C 0.732 177.362 176.600 0.051 0.000 1.045 45 K CA 0.026 56.416 56.287 0.173 0.000 0.988 45 K CB -0.112 32.586 32.500 0.329 0.000 0.783 45 K HN 0.320 nan 8.250 nan 0.000 0.484 46 N N 2.532 121.260 118.700 0.046 0.000 3.115 46 N HA -0.007 4.734 4.740 0.001 0.000 0.305 46 N C -1.351 174.150 175.510 -0.015 0.000 1.305 46 N CA 0.496 53.559 53.050 0.022 0.000 1.154 46 N CB 0.048 38.556 38.487 0.035 0.000 1.454 46 N HN 0.307 nan 8.380 nan 0.000 0.551 47 D N -0.711 119.659 120.400 -0.050 0.000 2.593 47 D HA 0.325 4.965 4.640 0.001 0.000 0.251 47 D C -1.699 174.568 176.300 -0.054 0.000 1.140 47 D CA -1.965 51.991 54.000 -0.074 0.000 0.855 47 D CB 1.926 42.632 40.800 -0.157 0.000 1.267 47 D HN -0.058 nan 8.370 nan 0.000 0.532 48 P HA -0.143 nan 4.420 nan 0.000 0.214 48 P C 0.856 178.146 177.300 -0.017 0.000 1.163 48 P CA 1.134 64.226 63.100 -0.014 0.000 0.889 48 P CB 0.179 31.878 31.700 -0.003 0.000 0.790 49 R N -0.911 119.574 120.500 -0.024 0.000 2.303 49 R HA -0.018 4.322 4.340 0.001 0.000 0.225 49 R C 0.800 177.085 176.300 -0.025 0.000 1.114 49 R CA 0.239 56.328 56.100 -0.018 0.000 1.007 49 R CB -1.065 29.224 30.300 -0.019 0.000 0.861 49 R HN 0.279 nan 8.270 nan 0.000 0.471 50 L N 1.631 122.830 121.223 -0.041 0.000 2.483 50 L HA -0.013 4.328 4.340 0.001 0.000 0.276 50 L C 1.035 177.904 176.870 -0.002 0.000 1.213 50 L CA 0.723 55.544 54.840 -0.032 0.000 0.843 50 L CB 0.479 42.513 42.059 -0.042 0.000 1.107 50 L HN 0.038 nan 8.230 nan 0.000 0.487 51 K N 1.458 121.864 120.400 0.009 0.000 2.826 51 K HA 0.273 4.594 4.320 0.001 0.000 0.206 51 K C -0.487 176.129 176.600 0.027 0.000 1.116 51 K CA -0.025 56.272 56.287 0.017 0.000 1.045 51 K CB 1.109 33.618 32.500 0.016 0.000 0.758 51 K HN 0.696 nan 8.250 nan 0.000 0.465 52 T N -0.465 114.111 114.554 0.036 0.000 2.676 52 T HA -0.005 4.346 4.350 0.001 0.000 0.308 52 T C -2.079 172.665 174.700 0.074 0.000 1.740 52 T CA -0.699 61.430 62.100 0.049 0.000 0.982 52 T CB 1.453 70.350 68.868 0.048 0.000 1.724 52 T HN 0.140 nan 8.240 nan 0.000 0.497 53 D N 1.410 121.857 120.400 0.077 0.000 2.401 53 D HA 0.233 4.873 4.640 0.001 0.000 0.254 53 D C 0.849 177.251 176.300 0.170 0.000 1.192 53 D CA -0.177 53.886 54.000 0.104 0.000 0.885 53 D CB 0.258 41.099 40.800 0.068 0.000 1.147 53 D HN 0.331 nan 8.370 nan 0.000 0.478 54 F N 3.597 123.554 119.950 0.011 0.000 1.990 54 F HA -0.096 4.432 4.527 0.001 0.000 0.294 54 F C 1.838 177.634 175.800 -0.007 0.000 1.177 54 F CA 1.561 59.563 58.000 0.003 0.000 1.167 54 F CB -0.627 38.386 39.000 0.021 0.000 0.971 54 F HN 0.554 nan 8.300 nan 0.000 0.483 55 E N -0.229 119.864 120.200 -0.178 0.000 2.233 55 E HA -0.316 4.035 4.350 0.001 0.000 0.199 55 E C 2.005 178.548 176.600 -0.095 0.000 1.004 55 E CA 1.453 57.681 56.400 -0.286 0.000 0.819 55 E CB -0.313 29.317 29.700 -0.117 0.000 0.738 55 E HN 0.644 nan 8.360 nan 0.000 0.478 56 E N 0.526 120.707 120.200 -0.032 0.000 2.152 56 E HA -0.109 4.242 4.350 0.001 0.000 0.192 56 E C 1.876 178.466 176.600 -0.017 0.000 0.983 56 E CA 0.988 57.386 56.400 -0.003 0.000 0.818 56 E CB 0.021 29.731 29.700 0.016 0.000 0.758 56 E HN 0.206 nan 8.360 nan 0.000 0.467 57 A N 1.338 124.141 122.820 -0.028 0.000 1.975 57 A HA 0.035 4.356 4.320 0.001 0.000 0.215 57 A C 2.244 179.762 177.584 -0.110 0.000 1.170 57 A CA 0.876 52.902 52.037 -0.020 0.000 0.656 57 A CB -0.645 18.395 19.000 0.066 0.000 0.821 57 A HN 0.520 nan 8.150 nan 0.000 0.449 58 I N -4.870 115.535 120.570 -0.274 0.000 2.406 58 I HA 0.013 4.183 4.170 0.001 0.000 0.249 58 I C 1.534 177.316 176.117 -0.558 0.000 1.122 58 I CA 1.327 62.350 61.300 -0.461 0.000 1.431 58 I CB -0.439 37.104 38.000 -0.761 0.000 1.087 58 I HN 0.089 nan 8.210 nan 0.000 0.424 59 F N 1.922 121.711 119.950 -0.269 0.000 2.732 59 F HA 0.146 4.673 4.527 0.001 0.000 0.303 59 F C 2.633 178.344 175.800 -0.149 0.000 1.110 59 F CA 0.490 58.361 58.000 -0.216 0.000 1.355 59 F CB -0.363 38.491 39.000 -0.244 0.000 1.081 59 F HN 0.172 nan 8.300 nan 0.000 0.565 60 S N 0.970 116.646 115.700 -0.040 0.000 2.481 60 S HA -0.168 4.302 4.470 0.001 0.000 0.231 60 S C 1.993 176.565 174.600 -0.048 0.000 0.996 60 S CA 0.881 59.069 58.200 -0.020 0.000 0.942 60 S CB -0.442 62.742 63.200 -0.026 0.000 0.768 60 S HN 0.606 nan 8.310 nan 0.000 0.520 61 K N -0.517 119.786 120.400 -0.162 0.000 2.366 61 K HA -0.018 4.303 4.320 0.001 0.000 0.198 61 K C -0.191 176.321 176.600 -0.146 0.000 1.044 61 K CA 0.358 56.533 56.287 -0.188 0.000 0.973 61 K CB -0.435 31.888 32.500 -0.295 0.000 0.767 61 K HN 0.403 nan 8.250 nan 0.000 0.475 62 Y N 2.678 122.992 120.300 0.023 0.000 2.724 62 Y HA 0.104 4.655 4.550 0.001 0.000 0.354 62 Y C 0.397 176.307 175.900 0.016 0.000 1.270 62 Y CA -1.188 56.923 58.100 0.020 0.000 1.902 62 Y CB -0.325 38.138 38.460 0.006 0.000 1.981 62 Y HN -0.099 nan 8.280 nan 0.000 0.428 63 V N 1.479 121.478 119.914 0.143 0.000 2.740 63 V HA 0.473 4.594 4.120 0.001 0.000 0.303 63 V C 1.073 177.234 176.094 0.112 0.000 1.054 63 V CA -0.234 62.129 62.300 0.106 0.000 1.106 63 V CB 0.383 32.255 31.823 0.081 0.000 0.957 63 V HN 0.708 nan 8.190 nan 0.000 0.486 64 G N 4.978 113.828 108.800 0.082 0.000 3.014 64 G HA2 -0.133 3.828 3.960 0.001 0.000 0.239 64 G HA3 -0.133 3.828 3.960 0.001 0.000 0.239 64 G C 0.753 175.703 174.900 0.083 0.000 1.249 64 G CA 0.330 45.471 45.100 0.069 0.000 0.867 64 G HN 0.901 nan 8.290 nan 0.000 0.607 65 N N 0.328 119.072 118.700 0.074 0.000 2.080 65 N HA -0.058 4.683 4.740 0.001 0.000 0.189 65 N C 1.382 176.953 175.510 0.101 0.000 1.036 65 N CA 1.402 54.508 53.050 0.093 0.000 0.846 65 N CB -0.228 38.302 38.487 0.072 0.000 1.015 65 N HN 0.694 nan 8.380 nan 0.000 0.423 66 K N -0.551 119.891 120.400 0.069 0.000 4.398 66 K HA -0.199 4.122 4.320 0.001 0.000 0.278 66 K C 0.302 176.922 176.600 0.032 0.000 1.613 66 K CA 0.559 56.879 56.287 0.055 0.000 0.649 66 K CB -1.501 31.048 32.500 0.081 0.000 0.845 66 K HN 0.185 nan 8.250 nan 0.000 0.613 67 I N 2.351 122.932 120.570 0.018 0.000 2.993 67 I HA -0.192 3.979 4.170 0.001 0.000 0.301 67 I C 1.526 177.618 176.117 -0.041 0.000 1.229 67 I CA 1.800 63.070 61.300 -0.049 0.000 1.435 67 I CB 0.520 38.445 38.000 -0.125 0.000 1.328 67 I HN 0.813 nan 8.210 nan 0.000 0.584 68 T N 1.945 116.459 114.554 -0.067 0.000 3.010 68 T HA 0.260 4.611 4.350 0.001 0.000 0.253 68 T C 0.240 174.902 174.700 -0.063 0.000 0.939 68 T CA -0.388 61.686 62.100 -0.043 0.000 0.910 68 T CB 0.092 68.944 68.868 -0.027 0.000 1.226 68 T HN 0.563 nan 8.240 nan 0.000 0.508 69 E N 1.932 122.077 120.200 -0.091 0.000 2.133 69 E HA 0.478 4.828 4.350 0.001 0.000 0.274 69 E C -0.878 175.648 176.600 -0.124 0.000 0.930 69 E CA -0.673 55.673 56.400 -0.090 0.000 0.770 69 E CB 2.388 32.040 29.700 -0.080 0.000 1.104 69 E HN 0.026 nan 8.360 nan 0.000 0.403 70 V N 5.027 124.875 119.914 -0.110 0.000 2.568 70 V HA -0.168 3.952 4.120 0.001 0.000 0.270 70 V C 0.447 176.482 176.094 -0.099 0.000 0.963 70 V CA 0.583 62.812 62.300 -0.118 0.000 1.161 70 V CB -1.439 30.348 31.823 -0.060 0.000 0.969 70 V HN 0.673 nan 8.190 nan 0.000 0.464 71 D N 3.178 123.511 120.400 -0.110 0.000 2.380 71 D HA 0.054 4.695 4.640 0.001 0.000 0.254 71 D C 1.291 177.519 176.300 -0.120 0.000 1.288 71 D CA -0.010 53.922 54.000 -0.114 0.000 1.008 71 D CB 0.509 41.238 40.800 -0.118 0.000 1.099 71 D HN 0.614 nan 8.370 nan 0.000 0.537 72 E N -1.257 118.798 120.200 -0.242 0.000 2.204 72 E HA -0.230 4.120 4.350 0.001 0.000 0.194 72 E C 1.585 178.077 176.600 -0.180 0.000 0.989 72 E CA 0.970 57.216 56.400 -0.257 0.000 0.824 72 E CB -0.598 28.886 29.700 -0.360 0.000 0.756 72 E HN 0.672 nan 8.360 nan 0.000 0.477 73 Y N 0.704 121.043 120.300 0.065 0.000 2.243 73 Y HA 0.041 4.592 4.550 0.001 0.000 0.293 73 Y C 2.528 178.481 175.900 0.089 0.000 1.124 73 Y CA 0.659 58.809 58.100 0.084 0.000 1.159 73 Y CB -0.207 38.323 38.460 0.117 0.000 1.008 73 Y HN -0.056 nan 8.280 nan 0.000 0.527 74 M N 0.408 120.128 119.600 0.200 0.000 2.144 74 M HA -0.296 4.185 4.480 0.001 0.000 0.260 74 M C 1.926 178.301 176.300 0.125 0.000 1.067 74 M CA 1.902 57.276 55.300 0.124 0.000 1.095 74 M CB -0.447 32.124 32.600 -0.047 0.000 1.365 74 M HN 0.167 nan 8.290 nan 0.000 0.406 75 K N 0.032 120.482 120.400 0.083 0.000 2.057 75 K HA -0.195 4.126 4.320 0.001 0.000 0.207 75 K C 1.969 178.637 176.600 0.113 0.000 1.049 75 K CA 1.527 57.861 56.287 0.078 0.000 0.931 75 K CB -0.161 32.358 32.500 0.033 0.000 0.714 75 K HN 0.391 nan 8.250 nan 0.000 0.440 76 E N 0.532 120.811 120.200 0.132 0.000 2.152 76 E HA -0.132 4.219 4.350 0.001 0.000 0.192 76 E C 1.839 178.549 176.600 0.185 0.000 0.983 76 E CA 0.739 57.226 56.400 0.145 0.000 0.818 76 E CB 0.030 29.816 29.700 0.143 0.000 0.758 76 E HN 0.290 nan 8.360 nan 0.000 0.467 77 A N 0.874 123.817 122.820 0.204 0.000 1.842 77 A HA -0.223 4.098 4.320 0.001 0.000 0.217 77 A C 2.412 180.157 177.584 0.268 0.000 1.206 77 A CA 1.970 54.151 52.037 0.239 0.000 0.630 77 A CB -1.235 17.912 19.000 0.244 0.000 0.839 77 A HN 0.215 nan 8.150 nan 0.000 0.447 78 V N 0.649 120.706 119.914 0.237 0.000 2.311 78 V HA -0.356 3.765 4.120 0.001 0.000 0.256 78 V C 2.311 178.523 176.094 0.197 0.000 1.077 78 V CA 2.651 65.085 62.300 0.222 0.000 1.067 78 V CB -0.948 30.974 31.823 0.165 0.000 0.659 78 V HN 0.568 nan 8.190 nan 0.000 0.451 79 D N -1.885 118.624 120.400 0.182 0.000 2.144 79 D HA -0.143 4.497 4.640 0.001 0.000 0.200 79 D C 2.104 178.521 176.300 0.196 0.000 0.978 79 D CA 1.360 55.455 54.000 0.158 0.000 0.833 79 D CB -0.215 40.667 40.800 0.136 0.000 0.961 79 D HN 0.649 nan 8.370 nan 0.000 0.470 80 H N -1.207 117.946 119.070 0.138 0.000 2.384 80 H HA -0.137 4.420 4.556 0.001 0.000 0.300 80 H C 1.934 177.384 175.328 0.202 0.000 1.057 80 H CA 0.739 56.871 56.048 0.140 0.000 1.370 80 H CB 0.018 29.855 29.762 0.125 0.000 1.417 80 H HN 0.087 nan 8.280 nan 0.000 0.527 81 Y N 1.645 121.940 120.300 -0.008 0.000 2.145 81 Y HA -0.143 4.408 4.550 0.001 0.000 0.286 81 Y C 2.621 178.497 175.900 -0.040 0.000 1.145 81 Y CA 1.517 59.581 58.100 -0.060 0.000 1.148 81 Y CB -1.020 37.474 38.460 0.056 0.000 0.981 81 Y HN 0.282 nan 8.280 nan 0.000 0.507 82 A N -0.301 122.517 122.820 -0.004 0.000 1.972 82 A HA -0.075 4.246 4.320 0.001 0.000 0.219 82 A C 2.504 180.048 177.584 -0.066 0.000 1.169 82 A CA 1.678 53.662 52.037 -0.089 0.000 0.635 82 A CB -1.477 17.533 19.000 0.018 0.000 0.810 82 A HN 0.553 nan 8.150 nan 0.000 0.446 83 G N -1.503 107.282 108.800 -0.026 0.000 2.464 83 G HA2 -0.092 3.869 3.960 0.001 0.000 0.217 83 G HA3 -0.092 3.869 3.960 0.001 0.000 0.217 83 G C 1.546 176.414 174.900 -0.054 0.000 1.138 83 G CA 0.745 45.835 45.100 -0.016 0.000 0.793 83 G HN 0.578 nan 8.290 nan 0.000 0.539 84 Q N -0.254 119.479 119.800 -0.110 0.000 2.030 84 Q HA -0.011 4.329 4.340 0.001 0.000 0.204 84 Q C 2.535 178.477 176.000 -0.096 0.000 0.986 84 Q CA 1.097 56.839 55.803 -0.101 0.000 0.843 84 Q CB -0.243 28.450 28.738 -0.075 0.000 0.904 84 Q HN 0.469 nan 8.270 nan 0.000 0.420 85 L N -0.042 121.085 121.223 -0.160 0.000 2.362 85 L HA -0.139 4.202 4.340 0.001 0.000 0.219 85 L C 2.274 179.100 176.870 -0.073 0.000 1.134 85 L CA 0.162 54.907 54.840 -0.159 0.000 0.807 85 L CB -0.385 41.529 42.059 -0.240 0.000 0.927 85 L HN 0.331 nan 8.230 nan 0.000 0.447 86 M N 0.139 119.710 119.600 -0.048 0.000 2.279 86 M HA -0.135 4.346 4.480 0.001 0.000 0.264 86 M C 2.602 178.898 176.300 -0.007 0.000 1.062 86 M CA 1.819 57.113 55.300 -0.010 0.000 1.099 86 M CB -1.025 31.575 32.600 0.000 0.000 1.394 86 M HN 0.432 nan 8.290 nan 0.000 0.426 87 S N -0.268 115.420 115.700 -0.019 0.000 2.453 87 S HA -0.021 4.450 4.470 0.001 0.000 0.231 87 S C 1.897 176.489 174.600 -0.013 0.000 1.005 87 S CA 0.560 58.754 58.200 -0.011 0.000 0.949 87 S CB -0.715 62.478 63.200 -0.012 0.000 0.774 87 S HN 0.470 nan 8.310 nan 0.000 0.510 88 L N 1.159 122.366 121.223 -0.026 0.000 2.376 88 L HA 0.027 4.368 4.340 0.001 0.000 0.219 88 L C 0.035 176.904 176.870 -0.001 0.000 1.133 88 L CA 0.556 55.380 54.840 -0.027 0.000 0.816 88 L CB -0.701 41.320 42.059 -0.064 0.000 0.933 88 L HN 0.167 nan 8.230 nan 0.000 0.449 89 D N 0.382 120.788 120.400 0.011 0.000 2.746 89 D HA -0.176 4.465 4.640 0.001 0.000 0.236 89 D C 0.019 176.344 176.300 0.043 0.000 1.129 89 D CA 0.653 54.667 54.000 0.024 0.000 0.691 89 D CB -1.416 39.394 40.800 0.016 0.000 1.077 89 D HN 0.237 nan 8.370 nan 0.000 0.432 90 I N 0.593 121.205 120.570 0.071 0.000 2.741 90 I HA -0.121 4.050 4.170 0.001 0.000 0.288 90 I C 1.358 177.543 176.117 0.114 0.000 1.192 90 I CA 0.047 61.420 61.300 0.121 0.000 1.426 90 I CB 0.210 38.333 38.000 0.205 0.000 1.367 90 I HN 0.007 nan 8.210 nan 0.000 0.563 91 N N 5.200 123.955 118.700 0.091 0.000 2.434 91 N HA -0.059 4.682 4.740 0.001 0.000 0.268 91 N C 0.953 176.474 175.510 0.018 0.000 1.256 91 N CA 0.239 53.314 53.050 0.041 0.000 0.914 91 N CB 0.832 39.340 38.487 0.035 0.000 1.088 91 N HN 0.722 nan 8.380 nan 0.000 0.478 92 T N 0.061 114.536 114.554 -0.132 0.000 3.107 92 T HA 0.133 4.483 4.350 0.001 0.000 0.249 92 T C 0.450 174.889 174.700 -0.435 0.000 1.096 92 T CA -0.062 61.745 62.100 -0.488 0.000 1.012 92 T CB -0.175 68.377 68.868 -0.526 0.000 0.977 92 T HN 0.505 nan 8.240 nan 0.000 0.527 93 E N 1.638 121.721 120.200 -0.196 0.000 2.422 93 E HA 0.097 4.448 4.350 0.001 0.000 0.260 93 E C 0.115 176.639 176.600 -0.127 0.000 1.108 93 E CA -0.295 56.020 56.400 -0.142 0.000 0.943 93 E CB 0.464 30.120 29.700 -0.073 0.000 0.961 93 E HN 0.450 nan 8.360 nan 0.000 0.443 94 Q N 1.811 121.548 119.800 -0.105 0.000 2.364 94 Q HA 0.095 4.436 4.340 0.001 0.000 0.267 94 Q C -0.609 175.365 176.000 -0.043 0.000 0.999 94 Q CA 0.042 55.798 55.803 -0.079 0.000 0.886 94 Q CB 0.739 29.439 28.738 -0.063 0.000 1.243 94 Q HN 0.451 nan 8.270 nan 0.000 0.415 95 M N 3.788 123.367 119.600 -0.034 0.000 2.277 95 M HA 0.251 4.732 4.480 0.001 0.000 0.350 95 M C -0.415 175.882 176.300 -0.005 0.000 1.180 95 M CA -0.722 54.572 55.300 -0.010 0.000 1.103 95 M CB 0.502 33.101 32.600 -0.001 0.000 1.577 95 M HN 0.888 nan 8.290 nan 0.000 0.459 96 C N 3.546 122.851 119.300 0.009 0.000 2.649 96 C HA 0.180 4.641 4.460 0.001 0.000 0.377 96 C C 1.644 176.646 174.990 0.019 0.000 1.321 96 C CA -0.966 58.061 59.018 0.015 0.000 2.368 96 C CB -0.118 27.635 27.740 0.023 0.000 2.597 96 C HN 1.097 nan 8.230 nan 0.000 0.678 97 L N 1.009 122.245 121.223 0.021 0.000 2.042 97 L HA -0.106 4.235 4.340 0.001 0.000 0.210 97 L C 2.630 179.513 176.870 0.022 0.000 1.076 97 L CA 2.345 57.194 54.840 0.015 0.000 0.749 97 L CB -1.150 40.922 42.059 0.022 0.000 0.893 97 L HN 0.975 nan 8.230 nan 0.000 0.432 98 E N -0.787 119.453 120.200 0.065 0.000 2.038 98 E HA -0.262 4.089 4.350 0.001 0.000 0.195 98 E C 1.716 178.391 176.600 0.126 0.000 1.000 98 E CA 1.669 58.152 56.400 0.139 0.000 0.803 98 E CB -0.067 29.720 29.700 0.146 0.000 0.750 98 E HN 0.544 nan 8.360 nan 0.000 0.448 99 D N 0.166 120.616 120.400 0.084 0.000 2.144 99 D HA -0.128 4.513 4.640 0.001 0.000 0.199 99 D C 1.831 178.159 176.300 0.046 0.000 0.984 99 D CA 1.250 55.295 54.000 0.076 0.000 0.834 99 D CB -0.443 40.394 40.800 0.060 0.000 0.955 99 D HN 0.310 nan 8.370 nan 0.000 0.465 100 A N 0.789 123.619 122.820 0.018 0.000 1.903 100 A HA -0.249 4.071 4.320 0.001 0.000 0.219 100 A C 2.249 179.802 177.584 -0.052 0.000 1.191 100 A CA 2.057 54.093 52.037 -0.002 0.000 0.638 100 A CB -0.589 18.403 19.000 -0.013 0.000 0.823 100 A HN 0.210 nan 8.150 nan 0.000 0.451 101 M N -3.038 116.473 119.600 -0.149 0.000 2.160 101 M HA 0.004 4.485 4.480 0.001 0.000 0.264 101 M C 1.781 177.846 176.300 -0.393 0.000 1.073 101 M CA 1.384 56.456 55.300 -0.379 0.000 1.142 101 M CB -0.218 31.939 32.600 -0.740 0.000 1.358 101 M HN 0.502 nan 8.290 nan 0.000 0.422 102 Y N 0.215 120.527 120.300 0.021 0.000 2.449 102 Y HA 0.396 4.947 4.550 0.001 0.000 0.254 102 Y C 1.168 177.081 175.900 0.022 0.000 1.140 102 Y CA -0.010 58.100 58.100 0.017 0.000 1.272 102 Y CB 0.564 39.031 38.460 0.011 0.000 1.114 102 Y HN 0.363 nan 8.280 nan 0.000 0.525 103 G N 0.317 109.194 108.800 0.130 0.000 2.662 103 G HA2 0.082 4.043 3.960 0.001 0.000 0.686 103 G HA3 0.082 4.043 3.960 0.001 0.000 0.686 103 G C -0.620 174.339 174.900 0.098 0.000 1.271 103 G CA -0.266 44.895 45.100 0.102 0.000 0.816 103 G HN 0.236 nan 8.290 nan 0.000 0.608 104 T N -1.268 113.338 114.554 0.086 0.000 2.637 104 T HA 0.520 4.871 4.350 0.001 0.000 0.303 104 T C -1.254 173.490 174.700 0.073 0.000 1.288 104 T CA 0.667 62.812 62.100 0.074 0.000 1.040 104 T CB 1.427 70.337 68.868 0.070 0.000 1.644 104 T HN 1.281 nan 8.240 nan 0.000 0.480 105 D N -0.400 120.039 120.400 0.065 0.000 2.401 105 D HA 0.467 5.107 4.640 0.001 0.000 0.254 105 D C 1.306 177.659 176.300 0.089 0.000 1.192 105 D CA 1.926 55.966 54.000 0.066 0.000 0.885 105 D CB -0.115 40.716 40.800 0.052 0.000 1.147 105 D HN 1.080 nan 8.370 nan 0.000 0.478 106 G N 2.743 111.607 108.800 0.107 0.000 2.213 106 G HA2 -0.223 3.738 3.960 0.001 0.000 0.236 106 G HA3 -0.223 3.738 3.960 0.001 0.000 0.236 106 G C -0.141 174.921 174.900 0.270 0.000 0.991 106 G CA 0.194 45.395 45.100 0.169 0.000 0.629 106 G HN 0.618 nan 8.290 nan 0.000 0.517 107 L N 1.487 122.823 121.223 0.188 0.000 2.381 107 L HA 0.745 5.086 4.340 0.001 0.000 0.274 107 L C -0.142 176.798 176.870 0.116 0.000 0.988 107 L CA -1.071 53.887 54.840 0.197 0.000 0.824 107 L CB 1.479 43.641 42.059 0.172 0.000 1.263 107 L HN 0.093 nan 8.230 nan 0.000 0.410 108 E N 2.388 122.639 120.200 0.084 0.000 2.371 108 E HA 0.471 4.822 4.350 0.001 0.000 0.257 108 E C -0.142 176.490 176.600 0.053 0.000 1.134 108 E CA -0.131 56.297 56.400 0.047 0.000 0.919 108 E CB 0.944 30.648 29.700 0.007 0.000 1.025 108 E HN 0.730 nan 8.360 nan 0.000 0.438 109 A N 1.266 124.117 122.820 0.052 0.000 2.310 109 A HA 0.295 4.616 4.320 0.001 0.000 0.260 109 A C 0.225 177.818 177.584 0.016 0.000 1.112 109 A CA -0.376 51.691 52.037 0.051 0.000 0.804 109 A CB 0.053 19.112 19.000 0.098 0.000 1.081 109 A HN 0.503 nan 8.150 nan 0.000 0.499 110 L N 0.530 121.742 121.223 -0.018 0.000 2.439 110 L HA 0.126 4.467 4.340 0.001 0.000 0.269 110 L C 0.430 177.292 176.870 -0.013 0.000 1.179 110 L CA -0.362 54.462 54.840 -0.027 0.000 0.828 110 L CB 0.306 42.328 42.059 -0.060 0.000 1.106 110 L HN 0.667 nan 8.230 nan 0.000 0.467 111 D N 2.697 123.089 120.400 -0.014 0.000 2.342 111 D HA 0.046 4.687 4.640 0.001 0.000 0.260 111 D C 0.858 177.150 176.300 -0.013 0.000 1.278 111 D CA 0.203 54.196 54.000 -0.012 0.000 0.910 111 D CB 0.824 41.614 40.800 -0.017 0.000 1.079 111 D HN 0.393 nan 8.370 nan 0.000 0.496 112 L N 2.703 123.924 121.223 -0.004 0.000 2.622 112 L HA -0.081 4.259 4.340 0.001 0.000 0.233 112 L C 1.576 178.440 176.870 -0.011 0.000 1.156 112 L CA 0.517 55.354 54.840 -0.005 0.000 0.866 112 L CB -0.317 41.750 42.059 0.013 0.000 0.980 112 L HN 0.345 nan 8.230 nan 0.000 0.448 113 S N -2.071 113.621 115.700 -0.014 0.000 2.601 113 S HA 0.155 4.626 4.470 0.001 0.000 0.244 113 S C 0.448 175.032 174.600 -0.027 0.000 1.001 113 S CA -0.531 57.658 58.200 -0.019 0.000 0.984 113 S CB -0.133 63.056 63.200 -0.019 0.000 0.842 113 S HN 0.285 nan 8.310 nan 0.000 0.474 114 T N -1.373 113.166 114.554 -0.026 0.000 2.906 114 T HA 0.645 4.995 4.350 0.001 0.000 0.295 114 T C -0.155 174.533 174.700 -0.019 0.000 1.075 114 T CA -0.688 61.394 62.100 -0.030 0.000 1.005 114 T CB 1.371 70.224 68.868 -0.025 0.000 1.136 114 T HN 0.083 nan 8.240 nan 0.000 0.498 115 S N -0.134 115.556 115.700 -0.016 0.000 2.550 115 S HA 0.274 4.745 4.470 0.001 0.000 0.285 115 S C 1.484 176.104 174.600 0.033 0.000 1.326 115 S CA 0.009 58.218 58.200 0.016 0.000 1.037 115 S CB -0.209 63.019 63.200 0.046 0.000 0.838 115 S HN 1.098 nan 8.310 nan 0.000 0.519 116 A N 3.746 126.594 122.820 0.045 0.000 2.251 116 A HA 0.503 4.824 4.320 0.001 0.000 0.209 116 A C 1.378 179.058 177.584 0.160 0.000 1.187 116 A CA 0.720 52.788 52.037 0.051 0.000 0.823 116 A CB -1.490 17.491 19.000 -0.032 0.000 0.846 116 A HN 2.002 nan 8.150 nan 0.000 0.486 117 G N -1.187 107.703 108.800 0.150 0.000 2.749 117 G HA2 -0.253 3.708 3.960 0.001 0.000 0.242 117 G HA3 -0.253 3.708 3.960 0.001 0.000 0.242 117 G C -0.102 174.886 174.900 0.147 0.000 1.364 117 G CA -0.028 45.170 45.100 0.163 0.000 0.888 117 G HN 1.147 nan 8.290 nan 0.000 0.566 118 Y N 2.588 122.867 120.300 -0.035 0.000 2.597 118 Y HA 0.395 4.946 4.550 0.001 0.000 0.336 118 Y C -0.432 175.285 175.900 -0.305 0.000 1.216 118 Y CA -0.377 57.625 58.100 -0.164 0.000 1.463 118 Y CB 1.260 39.593 38.460 -0.211 0.000 1.303 118 Y HN 0.317 nan 8.280 nan 0.000 0.576 119 P HA -0.046 nan 4.420 nan 0.000 0.251 119 P C 0.393 177.167 177.300 -0.877 0.000 1.223 119 P CA 0.945 62.961 63.100 -1.807 0.000 0.796 119 P CB 0.059 30.588 31.700 -1.952 0.000 1.068 120 Y N -0.527 119.534 120.300 -0.398 0.000 2.421 120 Y HA -0.084 4.466 4.550 0.001 0.000 0.292 120 Y C 2.564 178.395 175.900 -0.116 0.000 1.136 120 Y CA 0.435 58.400 58.100 -0.226 0.000 1.255 120 Y CB -1.591 36.772 38.460 -0.162 0.000 0.991 120 Y HN -0.187 nan 8.280 nan 0.000 0.552 121 V N -0.212 119.728 119.914 0.044 0.000 2.759 121 V HA -0.206 3.915 4.120 0.001 0.000 0.256 121 V C 2.038 178.163 176.094 0.052 0.000 1.080 121 V CA 1.705 64.050 62.300 0.076 0.000 1.101 121 V CB -0.524 31.371 31.823 0.120 0.000 0.698 121 V HN 0.453 nan 8.190 nan 0.000 0.477 122 A N -1.629 121.195 122.820 0.007 0.000 2.348 122 A HA 0.272 4.593 4.320 0.001 0.000 0.224 122 A C 1.795 179.379 177.584 0.001 0.000 1.227 122 A CA 0.262 52.311 52.037 0.020 0.000 0.885 122 A CB -0.059 18.967 19.000 0.043 0.000 0.933 122 A HN 0.517 nan 8.150 nan 0.000 0.506 123 M N -1.591 117.999 119.600 -0.016 0.000 2.382 123 M HA 0.248 4.729 4.480 0.001 0.000 0.247 123 M C 1.277 177.594 176.300 0.029 0.000 1.104 123 M CA 0.882 56.182 55.300 -0.000 0.000 1.030 123 M CB 0.705 33.293 32.600 -0.019 0.000 1.424 123 M HN 0.537 nan 8.290 nan 0.000 0.486 124 G N 1.750 110.572 108.800 0.036 0.000 2.141 124 G HA2 -0.255 3.706 3.960 0.001 0.000 0.242 124 G HA3 -0.255 3.706 3.960 0.001 0.000 0.242 124 G C -0.001 174.924 174.900 0.041 0.000 0.982 124 G CA 0.013 45.136 45.100 0.037 0.000 0.662 124 G HN 0.402 nan 8.290 nan 0.000 0.527 125 K N 0.499 120.936 120.400 0.061 0.000 2.143 125 K HA 0.603 4.923 4.320 0.001 0.000 0.272 125 K C 0.475 177.089 176.600 0.022 0.000 1.001 125 K CA -0.327 55.990 56.287 0.050 0.000 0.915 125 K CB 0.535 33.096 32.500 0.101 0.000 1.047 125 K HN 0.234 nan 8.250 nan 0.000 0.458 126 K N 2.135 122.523 120.400 -0.020 0.000 2.295 126 K HA 0.262 4.583 4.320 0.001 0.000 0.239 126 K C 0.484 177.036 176.600 -0.081 0.000 0.991 126 K CA -0.922 55.344 56.287 -0.034 0.000 0.845 126 K CB 1.557 34.047 32.500 -0.017 0.000 1.197 126 K HN 0.359 nan 8.250 nan 0.000 0.441 127 K N 1.093 121.445 120.400 -0.079 0.000 2.113 127 K HA -0.184 4.137 4.320 0.001 0.000 0.208 127 K C 1.745 178.308 176.600 -0.061 0.000 1.047 127 K CA 1.536 57.765 56.287 -0.097 0.000 0.928 127 K CB -0.014 32.446 32.500 -0.067 0.000 0.716 127 K HN 0.403 nan 8.250 nan 0.000 0.446 128 R N 0.887 121.368 120.500 -0.032 0.000 2.105 128 R HA -0.125 4.216 4.340 0.001 0.000 0.239 128 R C 1.576 177.870 176.300 -0.010 0.000 1.135 128 R CA 1.352 57.447 56.100 -0.009 0.000 0.967 128 R CB -0.290 30.008 30.300 -0.004 0.000 0.861 128 R HN 0.274 nan 8.270 nan 0.000 0.442 129 D N 0.213 120.598 120.400 -0.026 0.000 2.309 129 D HA -0.096 4.545 4.640 0.001 0.000 0.212 129 D C 1.670 177.954 176.300 -0.027 0.000 0.968 129 D CA 1.106 55.093 54.000 -0.022 0.000 0.882 129 D CB 0.129 40.915 40.800 -0.024 0.000 0.918 129 D HN 0.353 nan 8.370 nan 0.000 0.503 130 I N -0.898 119.642 120.570 -0.049 0.000 3.718 130 I HA 0.029 4.200 4.170 0.001 0.000 0.297 130 I C 0.332 176.452 176.117 0.005 0.000 1.220 130 I CA -0.010 61.257 61.300 -0.055 0.000 1.381 130 I CB 0.553 38.460 38.000 -0.156 0.000 1.238 130 I HN -0.191 nan 8.210 nan 0.000 0.448 131 L N 0.972 122.212 121.223 0.029 0.000 2.352 131 L HA 0.406 4.746 4.340 0.001 0.000 0.269 131 L C -0.047 176.945 176.870 0.203 0.000 1.034 131 L CA 0.007 54.944 54.840 0.162 0.000 0.806 131 L CB 0.902 43.013 42.059 0.087 0.000 1.244 131 L HN 0.061 nan 8.230 nan 0.000 0.447 132 N N 0.899 119.777 118.700 0.297 0.000 2.664 132 N HA 0.137 4.878 4.740 0.001 0.000 0.268 132 N C 0.046 175.450 175.510 -0.177 0.000 1.222 132 N CA -0.249 52.831 53.050 0.050 0.000 0.805 132 N CB 1.034 39.520 38.487 -0.002 0.000 1.399 132 N HN 0.595 nan 8.380 nan 0.000 0.547 133 K N 1.109 121.458 120.400 -0.084 0.000 2.209 133 K HA -0.196 4.125 4.320 0.001 0.000 0.204 133 K C 1.457 177.915 176.600 -0.238 0.000 1.048 133 K CA 1.169 57.344 56.287 -0.187 0.000 0.940 133 K CB 0.278 32.772 32.500 -0.010 0.000 0.729 133 K HN 0.460 nan 8.250 nan 0.000 0.451 134 Q N 0.920 120.626 119.800 -0.157 0.000 1.965 134 Q HA -0.129 4.212 4.340 0.001 0.000 0.200 134 Q C 2.045 177.946 176.000 -0.164 0.000 0.981 134 Q CA 2.689 58.419 55.803 -0.122 0.000 0.834 134 Q CB -0.558 28.135 28.738 -0.074 0.000 0.900 134 Q HN 0.407 nan 8.270 nan 0.000 0.426 135 T N -2.678 111.768 114.554 -0.180 0.000 3.043 135 T HA 0.091 4.442 4.350 0.001 0.000 0.263 135 T C 0.288 174.826 174.700 -0.270 0.000 1.094 135 T CA 0.456 62.455 62.100 -0.168 0.000 1.127 135 T CB -0.135 68.674 68.868 -0.098 0.000 0.905 135 T HN 0.465 nan 8.240 nan 0.000 0.490 136 R N 1.270 121.424 120.500 -0.577 0.000 3.525 136 R HA -0.136 4.205 4.340 0.001 0.000 0.276 136 R C -0.908 175.229 176.300 -0.272 0.000 1.116 136 R CA 0.634 56.123 56.100 -1.018 0.000 0.745 136 R CB -2.456 27.531 30.300 -0.522 0.000 1.185 136 R HN 0.593 nan 8.270 nan 0.000 0.454 137 D N 0.160 120.511 120.400 -0.083 0.000 2.383 137 D HA 0.060 4.701 4.640 0.001 0.000 0.252 137 D C 1.393 177.852 176.300 0.265 0.000 1.166 137 D CA 0.843 54.903 54.000 0.100 0.000 0.879 137 D CB 1.001 41.837 40.800 0.059 0.000 1.164 137 D HN 0.260 nan 8.370 nan 0.000 0.462 138 T N 0.295 114.956 114.554 0.179 0.000 3.023 138 T HA 0.097 4.448 4.350 0.001 0.000 0.253 138 T C 1.552 176.298 174.700 0.077 0.000 1.038 138 T CA -0.107 62.075 62.100 0.138 0.000 0.962 138 T CB 0.028 68.964 68.868 0.114 0.000 1.018 138 T HN 0.253 nan 8.240 nan 0.000 0.521 139 K N 1.099 121.539 120.400 0.067 0.000 2.020 139 K HA -0.160 4.161 4.320 0.001 0.000 0.212 139 K C 2.248 178.873 176.600 0.043 0.000 1.050 139 K CA 1.999 58.313 56.287 0.046 0.000 0.929 139 K CB -0.134 32.389 32.500 0.038 0.000 0.714 139 K HN 0.336 nan 8.250 nan 0.000 0.443 140 E N 0.414 120.640 120.200 0.044 0.000 2.358 140 E HA -0.123 4.228 4.350 0.001 0.000 0.195 140 E C 1.708 178.329 176.600 0.035 0.000 1.010 140 E CA 0.657 57.080 56.400 0.038 0.000 0.856 140 E CB 0.092 29.811 29.700 0.032 0.000 0.795 140 E HN 0.113 nan 8.360 nan 0.000 0.504 141 M N -0.126 119.491 119.600 0.027 0.000 2.193 141 M HA -0.015 4.466 4.480 0.001 0.000 0.265 141 M C 1.993 178.319 176.300 0.043 0.000 1.071 141 M CA 1.405 56.714 55.300 0.014 0.000 1.140 141 M CB -0.192 32.396 32.600 -0.020 0.000 1.369 141 M HN 0.029 nan 8.290 nan 0.000 0.423 142 Q N 0.916 120.740 119.800 0.040 0.000 2.061 142 Q HA -0.234 4.107 4.340 0.001 0.000 0.204 142 Q C 2.055 178.083 176.000 0.046 0.000 0.984 142 Q CA 2.411 58.239 55.803 0.043 0.000 0.846 142 Q CB -0.574 28.186 28.738 0.036 0.000 0.902 142 Q HN 0.620 nan 8.270 nan 0.000 0.421 143 K N -0.412 120.014 120.400 0.044 0.000 2.152 143 K HA -0.149 4.172 4.320 0.001 0.000 0.206 143 K C 1.848 178.485 176.600 0.062 0.000 1.048 143 K CA 1.407 57.718 56.287 0.040 0.000 0.933 143 K CB -0.173 32.349 32.500 0.037 0.000 0.721 143 K HN 0.348 nan 8.250 nan 0.000 0.447 144 L N 0.634 121.927 121.223 0.117 0.000 2.240 144 L HA -0.073 4.268 4.340 0.001 0.000 0.211 144 L C 2.361 179.376 176.870 0.242 0.000 1.106 144 L CA 0.339 55.327 54.840 0.247 0.000 0.793 144 L CB -0.203 42.037 42.059 0.302 0.000 0.927 144 L HN 0.177 nan 8.230 nan 0.000 0.446 145 L N -0.266 121.046 121.223 0.148 0.000 2.056 145 L HA -0.199 4.142 4.340 0.001 0.000 0.207 145 L C 2.197 179.114 176.870 0.078 0.000 1.078 145 L CA 1.106 56.019 54.840 0.122 0.000 0.749 145 L CB -0.401 41.710 42.059 0.088 0.000 0.901 145 L HN 0.255 nan 8.230 nan 0.000 0.433 146 D N -0.894 119.531 120.400 0.041 0.000 2.117 146 D HA -0.146 4.495 4.640 0.001 0.000 0.198 146 D C 2.157 178.424 176.300 -0.054 0.000 0.982 146 D CA 1.632 55.633 54.000 0.000 0.000 0.828 146 D CB -0.275 40.522 40.800 -0.006 0.000 0.967 146 D HN 0.241 nan 8.370 nan 0.000 0.464 147 T N -0.422 114.066 114.554 -0.111 0.000 2.737 147 T HA -0.125 4.226 4.350 0.001 0.000 0.265 147 T C 1.382 175.808 174.700 -0.457 0.000 1.038 147 T CA 1.054 62.941 62.100 -0.355 0.000 1.144 147 T CB -0.162 68.351 68.868 -0.591 0.000 0.866 147 T HN 0.203 nan 8.240 nan 0.000 0.434 148 Y N 0.198 120.507 120.300 0.015 0.000 2.430 148 Y HA 0.438 4.989 4.550 0.001 0.000 0.254 148 Y C 1.740 177.649 175.900 0.014 0.000 1.088 148 Y CA -0.195 57.900 58.100 -0.008 0.000 1.267 148 Y CB 0.005 38.422 38.460 -0.071 0.000 1.204 148 Y HN 0.386 nan 8.280 nan 0.000 0.515 149 G N 1.931 110.818 108.800 0.144 0.000 2.569 149 G HA2 -0.305 3.656 3.960 0.001 0.000 0.259 149 G HA3 -0.305 3.656 3.960 0.001 0.000 0.259 149 G C -0.029 174.935 174.900 0.107 0.000 1.263 149 G CA 0.194 45.353 45.100 0.097 0.000 0.928 149 G HN 0.514 nan 8.290 nan 0.000 0.572 150 I N -3.979 116.628 120.570 0.062 0.000 3.580 150 I HA 0.741 4.911 4.170 0.001 0.000 0.296 150 I C 0.925 177.017 176.117 -0.041 0.000 1.146 150 I CA -0.317 61.013 61.300 0.050 0.000 1.051 150 I CB 1.479 39.537 38.000 0.097 0.000 1.364 150 I HN 0.813 nan 8.210 nan 0.000 0.482 151 N N 0.714 119.355 118.700 -0.098 0.000 2.740 151 N HA -0.135 4.606 4.740 0.001 0.000 0.248 151 N C -0.830 174.607 175.510 -0.120 0.000 1.062 151 N CA 0.465 53.396 53.050 -0.199 0.000 0.704 151 N CB -0.890 37.354 38.487 -0.406 0.000 0.968 151 N HN 0.395 nan 8.380 nan 0.000 0.547 152 L N 0.857 122.055 121.223 -0.042 0.000 2.439 152 L HA 0.442 4.783 4.340 0.001 0.000 0.261 152 L C -1.468 175.305 176.870 -0.160 0.000 1.153 152 L CA -1.433 53.393 54.840 -0.024 0.000 0.808 152 L CB 0.284 42.427 42.059 0.140 0.000 1.126 152 L HN -0.022 nan 8.230 nan 0.000 0.460 153 P HA 0.182 nan 4.420 nan 0.000 0.275 153 P C -1.009 176.062 177.300 -0.381 0.000 1.227 153 P CA -0.417 62.400 63.100 -0.472 0.000 0.781 153 P CB 0.898 32.122 31.700 -0.793 0.000 0.906 154 L N 2.604 123.580 121.223 -0.410 0.000 2.371 154 L HA 0.215 4.556 4.340 0.001 0.000 0.272 154 L C 0.418 177.150 176.870 -0.229 0.000 1.124 154 L CA -0.438 54.238 54.840 -0.273 0.000 0.816 154 L CB 0.829 42.704 42.059 -0.306 0.000 1.129 154 L HN 0.149 nan 8.230 nan 0.000 0.448 155 V N 1.918 121.759 119.914 -0.123 0.000 2.406 155 V HA 0.230 4.351 4.120 0.001 0.000 0.272 155 V C 0.464 176.418 176.094 -0.233 0.000 1.043 155 V CA -0.526 61.657 62.300 -0.194 0.000 0.915 155 V CB 0.966 32.679 31.823 -0.183 0.000 0.988 155 V HN 0.777 nan 8.190 nan 0.000 0.466 156 T N 5.381 119.828 114.554 -0.179 0.000 2.897 156 T HA 0.520 4.870 4.350 0.001 0.000 0.294 156 T C -0.860 173.628 174.700 -0.353 0.000 1.004 156 T CA 0.332 62.425 62.100 -0.013 0.000 1.106 156 T CB 0.217 69.325 68.868 0.399 0.000 0.949 156 T HN 0.490 nan 8.240 nan 0.000 0.520 157 Y N 0.429 120.786 120.300 0.095 0.000 2.534 157 Y HA 0.436 4.986 4.550 0.001 0.000 0.345 157 Y C -0.306 175.621 175.900 0.045 0.000 1.031 157 Y CA -1.164 56.951 58.100 0.025 0.000 1.022 157 Y CB 1.418 39.888 38.460 0.017 0.000 1.292 157 Y HN 0.285 nan 8.280 nan 0.000 0.459 158 V N 3.110 123.157 119.914 0.221 0.000 2.432 158 V HA 0.194 4.315 4.120 0.001 0.000 0.271 158 V C 0.067 176.228 176.094 0.113 0.000 1.046 158 V CA -1.021 61.375 62.300 0.160 0.000 0.945 158 V CB 1.016 32.965 31.823 0.211 0.000 0.992 158 V HN 0.589 nan 8.190 nan 0.000 0.471 159 K N 3.589 124.033 120.400 0.074 0.000 2.378 159 K HA 0.080 4.401 4.320 0.001 0.000 0.288 159 K C -0.058 176.540 176.600 -0.003 0.000 1.057 159 K CA -0.423 55.881 56.287 0.028 0.000 0.971 159 K CB 0.267 32.777 32.500 0.016 0.000 0.975 159 K HN 0.712 nan 8.250 nan 0.000 0.475 160 D N 5.057 125.442 120.400 -0.026 0.000 2.342 160 D HA -0.000 4.640 4.640 0.001 0.000 0.260 160 D C -0.800 175.450 176.300 -0.083 0.000 1.278 160 D CA 0.435 54.403 54.000 -0.054 0.000 0.910 160 D CB 0.246 41.012 40.800 -0.057 0.000 1.079 160 D HN 0.667 nan 8.370 nan 0.000 0.496 161 E N 2.230 122.364 120.200 -0.109 0.000 2.396 161 E HA 0.242 4.593 4.350 0.001 0.000 0.280 161 E C -1.110 175.379 176.600 -0.185 0.000 1.065 161 E CA -0.944 55.376 56.400 -0.135 0.000 0.831 161 E CB 0.219 29.863 29.700 -0.093 0.000 1.272 161 E HN 0.188 nan 8.360 nan 0.000 0.443 162 L N 1.413 122.504 121.223 -0.220 0.000 2.453 162 L HA 0.452 4.792 4.340 0.001 0.000 0.272 162 L C 0.232 177.014 176.870 -0.146 0.000 1.182 162 L CA -0.038 54.646 54.840 -0.260 0.000 0.858 162 L CB 0.287 42.183 42.059 -0.272 0.000 1.120 162 L HN 0.541 nan 8.230 nan 0.000 0.474 163 R N 0.982 121.406 120.500 -0.128 0.000 2.740 163 R HA 0.358 4.698 4.340 0.001 0.000 0.273 163 R C -0.257 176.021 176.300 -0.036 0.000 0.998 163 R CA -0.363 55.697 56.100 -0.067 0.000 0.900 163 R CB 1.930 32.193 30.300 -0.062 0.000 1.223 163 R HN 0.739 nan 8.270 nan 0.000 0.466 164 S N 0.985 116.679 115.700 -0.010 0.000 2.647 164 S HA 0.053 4.524 4.470 0.001 0.000 0.251 164 S C 0.642 175.252 174.600 0.016 0.000 1.320 164 S CA 0.110 58.318 58.200 0.013 0.000 0.968 164 S CB 0.426 63.636 63.200 0.017 0.000 1.005 164 S HN 0.642 nan 8.310 nan 0.000 0.576 165 K N -0.242 120.176 120.400 0.029 0.000 2.166 165 K HA 0.050 4.371 4.320 0.001 0.000 0.201 165 K C 2.304 178.916 176.600 0.020 0.000 1.052 165 K CA 1.141 57.446 56.287 0.030 0.000 0.969 165 K CB -0.564 31.961 32.500 0.042 0.000 0.761 165 K HN 0.755 nan 8.250 nan 0.000 0.459 166 T N 1.319 115.885 114.554 0.020 0.000 2.929 166 T HA -0.079 4.272 4.350 0.001 0.000 0.271 166 T C 1.381 176.089 174.700 0.014 0.000 1.085 166 T CA 1.098 63.208 62.100 0.018 0.000 1.125 166 T CB -0.015 68.864 68.868 0.018 0.000 0.874 166 T HN 0.161 nan 8.240 nan 0.000 0.494 167 K N 0.195 120.600 120.400 0.009 0.000 2.358 167 K HA 0.285 4.606 4.320 0.001 0.000 0.197 167 K C 1.609 178.208 176.600 -0.002 0.000 1.025 167 K CA -0.000 56.291 56.287 0.006 0.000 1.104 167 K CB 0.502 33.003 32.500 0.002 0.000 0.855 167 K HN 0.170 nan 8.250 nan 0.000 0.531 168 V N 1.366 121.275 119.914 -0.008 0.000 2.492 168 V HA -0.111 4.010 4.120 0.001 0.000 0.241 168 V C 1.741 177.820 176.094 -0.025 0.000 1.041 168 V CA 1.349 63.632 62.300 -0.027 0.000 1.057 168 V CB 0.025 31.833 31.823 -0.026 0.000 0.711 168 V HN 0.241 nan 8.190 nan 0.000 0.468 169 E N 0.228 120.425 120.200 -0.005 0.000 2.077 169 E HA -0.263 4.088 4.350 0.001 0.000 0.193 169 E C 1.884 178.490 176.600 0.011 0.000 0.989 169 E CA 1.227 57.628 56.400 0.001 0.000 0.800 169 E CB -0.140 29.566 29.700 0.011 0.000 0.746 169 E HN 0.631 nan 8.360 nan 0.000 0.452 170 Q N -0.144 119.667 119.800 0.018 0.000 2.373 170 Q HA 0.075 4.415 4.340 0.001 0.000 0.206 170 Q C 0.806 176.840 176.000 0.057 0.000 0.942 170 Q CA 0.272 56.094 55.803 0.033 0.000 0.953 170 Q CB 0.420 29.174 28.738 0.027 0.000 1.022 170 Q HN 0.390 nan 8.270 nan 0.000 0.502 171 G N 2.038 110.869 108.800 0.052 0.000 2.309 171 G HA2 -0.340 3.621 3.960 0.001 0.000 0.286 171 G HA3 -0.340 3.621 3.960 0.001 0.000 0.286 171 G C 0.193 175.206 174.900 0.188 0.000 1.002 171 G CA 0.503 45.676 45.100 0.121 0.000 0.786 171 G HN 0.320 nan 8.290 nan 0.000 0.511 172 K N 1.165 121.617 120.400 0.087 0.000 3.006 172 K HA 0.277 4.598 4.320 0.001 0.000 0.265 172 K C 0.896 177.528 176.600 0.052 0.000 1.279 172 K CA -0.120 56.201 56.287 0.056 0.000 1.229 172 K CB 0.072 32.585 32.500 0.022 0.000 1.555 172 K HN 0.353 nan 8.250 nan 0.000 0.300 173 S N 1.043 116.811 115.700 0.115 0.000 2.587 173 S HA 0.067 4.538 4.470 0.001 0.000 0.260 173 S C 0.402 175.021 174.600 0.032 0.000 1.353 173 S CA -0.302 57.950 58.200 0.087 0.000 0.995 173 S CB 0.824 64.136 63.200 0.186 0.000 0.912 173 S HN 0.466 nan 8.310 nan 0.000 0.568 174 R N 0.687 121.198 120.500 0.018 0.000 2.474 174 R HA 0.496 4.837 4.340 0.001 0.000 0.295 174 R C -1.325 174.980 176.300 0.010 0.000 0.980 174 R CA -0.490 55.608 56.100 -0.004 0.000 0.934 174 R CB 0.369 30.670 30.300 0.002 0.000 1.101 174 R HN 0.552 nan 8.270 nan 0.000 0.469 175 L N 6.130 127.345 121.223 -0.013 0.000 2.317 175 L HA 0.506 4.847 4.340 0.001 0.000 0.281 175 L C 0.268 177.188 176.870 0.084 0.000 1.024 175 L CA -0.826 54.030 54.840 0.027 0.000 0.810 175 L CB 1.682 43.715 42.059 -0.043 0.000 1.240 175 L HN 0.572 nan 8.230 nan 0.000 0.427 176 I N -0.792 119.861 120.570 0.138 0.000 2.648 176 I HA 0.545 4.715 4.170 0.001 0.000 0.304 176 I C -0.857 175.388 176.117 0.212 0.000 1.009 176 I CA -0.665 60.731 61.300 0.160 0.000 1.114 176 I CB 2.291 40.376 38.000 0.143 0.000 1.293 176 I HN 0.491 nan 8.210 nan 0.000 0.449 177 E N 4.536 124.857 120.200 0.202 0.000 2.102 177 E HA 0.416 4.767 4.350 0.001 0.000 0.263 177 E C -0.501 176.192 176.600 0.156 0.000 0.894 177 E CA -0.642 55.879 56.400 0.201 0.000 0.746 177 E CB 1.815 31.651 29.700 0.226 0.000 1.129 177 E HN 0.718 nan 8.360 nan 0.000 0.416 178 A N 3.123 126.046 122.820 0.173 0.000 2.666 178 A HA 0.147 4.467 4.320 0.001 0.000 0.301 178 A C 0.762 178.405 177.584 0.099 0.000 1.470 178 A CA -0.230 51.913 52.037 0.177 0.000 1.159 178 A CB -0.263 18.928 19.000 0.318 0.000 1.116 178 A HN 0.476 nan 8.150 nan 0.000 0.548 179 S N 3.041 118.789 115.700 0.079 0.000 2.558 179 S HA 0.170 4.641 4.470 0.001 0.000 0.291 179 S C 0.764 175.413 174.600 0.081 0.000 1.306 179 S CA 0.322 58.559 58.200 0.062 0.000 1.056 179 S CB 0.271 63.513 63.200 0.070 0.000 0.836 179 S HN 1.431 nan 8.310 nan 0.000 0.504 180 S N 4.012 119.762 115.700 0.084 0.000 2.572 180 S HA 0.111 4.582 4.470 0.001 0.000 0.279 180 S C 1.188 175.865 174.600 0.128 0.000 1.341 180 S CA -0.603 57.671 58.200 0.124 0.000 1.043 180 S CB 0.579 63.854 63.200 0.124 0.000 0.887 180 S HN 0.912 nan 8.310 nan 0.000 0.516 181 L N 4.381 125.699 121.223 0.158 0.000 2.081 181 L HA -0.098 4.243 4.340 0.001 0.000 0.212 181 L C 1.845 178.772 176.870 0.094 0.000 1.080 181 L CA 2.044 56.933 54.840 0.082 0.000 0.754 181 L CB -1.521 40.526 42.059 -0.021 0.000 0.893 181 L HN 0.775 nan 8.230 nan 0.000 0.433 182 N N 0.083 118.885 118.700 0.170 0.000 2.104 182 N HA -0.178 4.562 4.740 0.001 0.000 0.190 182 N C 1.575 177.153 175.510 0.113 0.000 1.024 182 N CA 1.672 54.811 53.050 0.149 0.000 0.853 182 N CB -0.452 38.147 38.487 0.186 0.000 1.008 182 N HN 0.472 nan 8.380 nan 0.000 0.424 183 D N -0.097 120.370 120.400 0.112 0.000 2.117 183 D HA -0.001 4.640 4.640 0.001 0.000 0.198 183 D C 1.731 178.090 176.300 0.098 0.000 0.982 183 D CA 0.776 54.843 54.000 0.111 0.000 0.828 183 D CB -0.118 40.746 40.800 0.106 0.000 0.967 183 D HN 0.157 nan 8.370 nan 0.000 0.464 184 S N 0.347 116.098 115.700 0.084 0.000 2.382 184 S HA -0.093 4.377 4.470 0.001 0.000 0.228 184 S C 2.330 176.964 174.600 0.057 0.000 1.027 184 S CA 0.442 58.687 58.200 0.075 0.000 0.991 184 S CB -0.188 63.043 63.200 0.051 0.000 0.823 184 S HN 0.081 nan 8.310 nan 0.000 0.469 185 V N 1.865 121.801 119.914 0.037 0.000 2.427 185 V HA -0.136 3.985 4.120 0.001 0.000 0.248 185 V C 2.639 178.743 176.094 0.016 0.000 1.051 185 V CA 1.550 63.858 62.300 0.014 0.000 1.048 185 V CB -1.111 30.709 31.823 -0.004 0.000 0.666 185 V HN 0.538 nan 8.190 nan 0.000 0.456 186 A N -0.611 122.228 122.820 0.032 0.000 1.902 186 A HA -0.197 4.124 4.320 0.001 0.000 0.217 186 A C 2.216 179.706 177.584 -0.158 0.000 1.181 186 A CA 1.833 53.870 52.037 0.000 0.000 0.623 186 A CB -0.422 18.641 19.000 0.105 0.000 0.818 186 A HN 0.400 nan 8.150 nan 0.000 0.443 187 M N -1.002 118.548 119.600 -0.083 0.000 2.229 187 M HA -0.049 4.432 4.480 0.001 0.000 0.264 187 M C 2.151 178.476 176.300 0.042 0.000 1.063 187 M CA 1.311 56.593 55.300 -0.029 0.000 1.114 187 M CB -0.843 31.875 32.600 0.197 0.000 1.387 187 M HN 0.398 nan 8.290 nan 0.000 0.420 188 R N -0.730 119.805 120.500 0.058 0.000 2.161 188 R HA 0.118 4.459 4.340 0.001 0.000 0.213 188 R C 2.190 178.470 176.300 -0.034 0.000 1.055 188 R CA 0.735 56.874 56.100 0.065 0.000 0.996 188 R CB -0.014 30.358 30.300 0.120 0.000 0.901 188 R HN 0.310 nan 8.270 nan 0.000 0.456 189 M N -0.286 119.278 119.600 -0.059 0.000 2.229 189 M HA -0.068 4.412 4.480 0.001 0.000 0.264 189 M C 2.300 178.515 176.300 -0.142 0.000 1.063 189 M CA 1.526 56.783 55.300 -0.072 0.000 1.114 189 M CB -0.100 32.474 32.600 -0.044 0.000 1.387 189 M HN 0.240 nan 8.290 nan 0.000 0.420 190 A N -0.483 122.171 122.820 -0.277 0.000 1.898 190 A HA -0.049 4.272 4.320 0.001 0.000 0.214 190 A C 1.404 178.660 177.584 -0.547 0.000 1.183 190 A CA 1.347 53.077 52.037 -0.512 0.000 0.622 190 A CB -0.327 18.106 19.000 -0.944 0.000 0.824 190 A HN 0.463 nan 8.150 nan 0.000 0.444 191 F N -1.092 118.732 119.950 -0.210 0.000 2.728 191 F HA 0.272 4.800 4.527 0.001 0.000 0.314 191 F C 2.249 177.625 175.800 -0.707 0.000 1.094 191 F CA -0.348 57.377 58.000 -0.457 0.000 1.217 191 F CB -0.517 38.034 39.000 -0.748 0.000 1.056 191 F HN 0.232 nan 8.300 nan 0.000 0.577 192 G N 1.271 109.895 108.800 -0.294 0.000 2.679 192 G HA2 -0.395 3.566 3.960 0.001 0.000 0.222 192 G HA3 -0.395 3.566 3.960 0.001 0.000 0.222 192 G C 1.748 176.627 174.900 -0.035 0.000 1.164 192 G CA 1.767 46.800 45.100 -0.113 0.000 0.769 192 G HN 0.273 nan 8.290 nan 0.000 0.610 193 N N -0.028 118.691 118.700 0.032 0.000 2.270 193 N HA -0.025 4.716 4.740 0.001 0.000 0.181 193 N C 2.096 177.681 175.510 0.125 0.000 1.016 193 N CA 0.929 54.039 53.050 0.101 0.000 0.870 193 N CB -0.249 38.318 38.487 0.133 0.000 0.979 193 N HN 0.337 nan 8.380 nan 0.000 0.431 194 L N 0.552 121.826 121.223 0.085 0.000 2.027 194 L HA -0.129 4.212 4.340 0.001 0.000 0.206 194 L C 1.848 178.738 176.870 0.033 0.000 1.074 194 L CA 1.518 56.356 54.840 -0.004 0.000 0.745 194 L CB -0.799 41.039 42.059 -0.368 0.000 0.898 194 L HN 0.027 nan 8.230 nan 0.000 0.433 195 Y N 0.263 120.447 120.300 -0.193 0.000 2.081 195 Y HA -0.259 4.292 4.550 0.001 0.000 0.280 195 Y C 2.696 178.278 175.900 -0.529 0.000 1.163 195 Y CA 0.927 58.768 58.100 -0.432 0.000 1.135 195 Y CB -1.785 36.478 38.460 -0.328 0.000 0.970 195 Y HN 0.328 nan 8.280 nan 0.000 0.498 196 A N 0.180 122.977 122.820 -0.038 0.000 1.883 196 A HA -0.165 4.156 4.320 0.001 0.000 0.217 196 A C 2.577 180.186 177.584 0.041 0.000 1.186 196 A CA 2.433 54.481 52.037 0.018 0.000 0.624 196 A CB -1.289 17.762 19.000 0.085 0.000 0.822 196 A HN 0.423 nan 8.150 nan 0.000 0.444 197 A N -1.201 121.666 122.820 0.078 0.000 1.883 197 A HA -0.048 4.273 4.320 0.001 0.000 0.217 197 A C 1.978 179.604 177.584 0.069 0.000 1.186 197 A CA 1.690 53.777 52.037 0.084 0.000 0.624 197 A CB -0.801 18.264 19.000 0.108 0.000 0.822 197 A HN 0.454 nan 8.150 nan 0.000 0.444 198 F N -0.077 119.818 119.950 -0.091 0.000 2.069 198 F HA -0.194 4.334 4.527 0.001 0.000 0.298 198 F C 2.419 178.220 175.800 0.001 0.000 1.113 198 F CA 2.048 60.004 58.000 -0.073 0.000 1.214 198 F CB -0.983 37.937 39.000 -0.134 0.000 0.978 198 F HN 0.415 nan 8.300 nan 0.000 0.474 199 H N -0.581 118.585 119.070 0.159 0.000 2.353 199 H HA -0.170 4.386 4.556 0.001 0.000 0.298 199 H C 1.874 177.217 175.328 0.025 0.000 1.103 199 H CA 1.378 57.459 56.048 0.057 0.000 1.293 199 H CB -0.184 29.604 29.762 0.045 0.000 1.372 199 H HN 0.215 nan 8.280 nan 0.000 0.501 200 K N 0.341 120.831 120.400 0.150 0.000 2.486 200 K HA 0.005 4.325 4.320 0.001 0.000 0.194 200 K C 0.129 176.756 176.600 0.044 0.000 1.033 200 K CA 0.371 56.708 56.287 0.082 0.000 1.004 200 K CB 0.406 32.947 32.500 0.068 0.000 0.798 200 K HN 0.343 nan 8.250 nan 0.000 0.495 201 N N 1.164 119.878 118.700 0.023 0.000 2.646 201 N HA 0.136 4.877 4.740 0.001 0.000 0.296 201 N C -2.875 172.627 175.510 -0.014 0.000 1.886 201 N CA -0.872 52.173 53.050 -0.008 0.000 0.855 201 N CB 1.352 39.800 38.487 -0.064 0.000 1.336 201 N HN 0.051 nan 8.380 nan 0.000 0.496 202 P HA 0.274 nan 4.420 nan 0.000 0.268 202 P C 0.545 177.955 177.300 0.183 0.000 1.205 202 P CA 0.724 63.819 63.100 -0.008 0.000 0.771 202 P CB 1.391 32.932 31.700 -0.264 0.000 0.858 203 G N 0.548 109.516 108.800 0.280 0.000 2.373 203 G HA2 0.125 4.086 3.960 0.001 0.000 0.250 203 G HA3 0.125 4.086 3.960 0.001 0.000 0.250 203 G C 0.084 175.079 174.900 0.158 0.000 1.304 203 G CA -0.125 45.158 45.100 0.306 0.000 0.948 203 G HN 0.405 nan 8.290 nan 0.000 0.474 204 V N -1.233 118.731 119.914 0.083 0.000 3.528 204 V HA 0.482 4.603 4.120 0.001 0.000 0.294 204 V C 2.075 178.190 176.094 0.035 0.000 1.404 204 V CA 0.974 63.299 62.300 0.041 0.000 1.065 204 V CB -0.094 31.737 31.823 0.012 0.000 0.904 204 V HN 0.575 nan 8.190 nan 0.000 0.435 205 I N 2.302 122.885 120.570 0.021 0.000 2.480 205 I HA -0.085 4.086 4.170 0.001 0.000 0.251 205 I C 2.608 178.718 176.117 -0.012 0.000 1.124 205 I CA 1.881 63.181 61.300 0.001 0.000 1.444 205 I CB -0.116 37.870 38.000 -0.023 0.000 1.098 205 I HN 0.482 nan 8.210 nan 0.000 0.428 206 T N -2.106 112.402 114.554 -0.078 0.000 3.081 206 T HA 0.183 4.533 4.350 0.001 0.000 0.255 206 T C 1.635 176.392 174.700 0.096 0.000 1.113 206 T CA 0.406 62.392 62.100 -0.189 0.000 1.082 206 T CB 0.070 68.555 68.868 -0.637 0.000 0.939 206 T HN 0.451 nan 8.240 nan 0.000 0.506 207 G N 0.869 109.723 108.800 0.090 0.000 2.258 207 G HA2 -0.223 3.738 3.960 0.001 0.000 0.274 207 G HA3 -0.223 3.738 3.960 0.001 0.000 0.274 207 G C 0.046 175.015 174.900 0.114 0.000 1.021 207 G CA 0.507 45.649 45.100 0.070 0.000 0.798 207 G HN 1.058 nan 8.290 nan 0.000 0.507 208 S N -1.455 114.328 115.700 0.138 0.000 2.538 208 S HA 0.786 5.257 4.470 0.001 0.000 0.288 208 S C 0.733 175.421 174.600 0.146 0.000 1.108 208 S CA 0.435 58.733 58.200 0.163 0.000 0.971 208 S CB 1.762 65.130 63.200 0.280 0.000 1.041 208 S HN 1.512 nan 8.310 nan 0.000 0.483 209 A N 3.562 126.481 122.820 0.166 0.000 2.303 209 A HA 0.399 4.720 4.320 0.001 0.000 0.217 209 A C 0.389 177.970 177.584 -0.006 0.000 1.205 209 A CA 0.038 52.159 52.037 0.141 0.000 0.875 209 A CB -0.176 19.125 19.000 0.503 0.000 0.910 209 A HN 0.785 nan 8.150 nan 0.000 0.501 210 V N 1.046 120.822 119.914 -0.230 0.000 2.555 210 V HA 0.317 4.438 4.120 0.001 0.000 0.299 210 V C 1.520 177.583 176.094 -0.051 0.000 1.012 210 V CA 1.578 63.702 62.300 -0.294 0.000 1.180 210 V CB -0.452 31.179 31.823 -0.319 0.000 0.887 210 V HN 1.099 nan 8.190 nan 0.000 0.476 211 G N 3.014 111.789 108.800 -0.041 0.000 2.184 211 G HA2 -0.205 3.756 3.960 0.001 0.000 0.206 211 G HA3 -0.205 3.756 3.960 0.001 0.000 0.206 211 G C 0.296 175.127 174.900 -0.114 0.000 0.995 211 G CA -0.139 44.918 45.100 -0.071 0.000 0.651 211 G HN 1.276 nan 8.290 nan 0.000 0.511 212 C N -0.077 119.115 119.300 -0.180 0.000 2.422 212 C HA 0.789 5.250 4.460 0.001 0.000 0.364 212 C C 0.118 175.048 174.990 -0.099 0.000 1.251 212 C CA -0.630 58.202 59.018 -0.311 0.000 2.441 212 C CB 1.814 29.066 27.740 -0.813 0.000 2.393 212 C HN 0.413 nan 8.230 nan 0.000 0.606 213 D N 1.877 122.269 120.400 -0.013 0.000 2.461 213 D HA 0.406 5.046 4.640 0.001 0.000 0.240 213 D C -1.788 174.580 176.300 0.113 0.000 1.094 213 D CA -2.046 51.970 54.000 0.026 0.000 0.868 213 D CB 1.543 42.353 40.800 0.016 0.000 1.062 213 D HN 0.282 nan 8.370 nan 0.000 0.530 214 P HA -0.099 nan 4.420 nan 0.000 0.217 214 P C 0.549 177.792 177.300 -0.095 0.000 1.148 214 P CA 0.886 63.919 63.100 -0.111 0.000 0.828 214 P CB 0.407 31.717 31.700 -0.650 0.000 0.783 215 D N -1.564 118.823 120.400 -0.021 0.000 2.265 215 D HA -0.103 4.538 4.640 0.001 0.000 0.208 215 D C 1.630 178.092 176.300 0.270 0.000 0.977 215 D CA 1.036 55.150 54.000 0.190 0.000 0.871 215 D CB -0.316 40.662 40.800 0.298 0.000 0.925 215 D HN 0.225 nan 8.370 nan 0.000 0.485 216 L N -1.871 119.439 121.223 0.146 0.000 2.577 216 L HA 0.149 4.490 4.340 0.001 0.000 0.225 216 L C 1.566 178.631 176.870 0.324 0.000 1.053 216 L CA -0.108 54.771 54.840 0.065 0.000 0.866 216 L CB 0.060 42.056 42.059 -0.105 0.000 1.132 216 L HN -0.102 nan 8.230 nan 0.000 0.486 217 F N -0.077 120.025 119.950 0.254 0.000 2.259 217 F HA -0.133 4.394 4.527 0.001 0.000 0.298 217 F C 2.099 178.184 175.800 0.476 0.000 1.088 217 F CA 1.247 59.454 58.000 0.345 0.000 1.358 217 F CB -0.177 39.063 39.000 0.401 0.000 1.040 217 F HN 0.093 nan 8.300 nan 0.000 0.505 218 W N -0.117 121.296 121.300 0.188 0.000 2.350 218 W HA -0.223 4.438 4.660 0.001 0.000 0.289 218 W C 2.373 178.952 176.519 0.099 0.000 1.215 218 W CA 1.124 58.554 57.345 0.142 0.000 1.236 218 W CB -0.357 29.104 29.460 0.003 0.000 1.130 218 W HN -0.059 nan 8.180 nan 0.000 0.541 219 S N -0.268 115.613 115.700 0.302 0.000 2.428 219 S HA -0.101 4.369 4.470 0.001 0.000 0.230 219 S C 1.623 176.235 174.600 0.019 0.000 1.014 219 S CA 0.867 59.158 58.200 0.151 0.000 0.957 219 S CB -0.105 63.221 63.200 0.210 0.000 0.784 219 S HN 0.236 nan 8.310 nan 0.000 0.499 220 K N 0.841 121.219 120.400 -0.037 0.000 2.116 220 K HA 0.156 4.477 4.320 0.001 0.000 0.203 220 K C 1.884 178.326 176.600 -0.262 0.000 1.052 220 K CA 0.667 56.861 56.287 -0.154 0.000 0.952 220 K CB -0.199 32.171 32.500 -0.216 0.000 0.729 220 K HN 0.311 nan 8.250 nan 0.000 0.446 221 I N 1.387 121.736 120.570 -0.368 0.000 2.194 221 I HA -0.239 3.931 4.170 0.001 0.000 0.246 221 I C -1.025 174.964 176.117 -0.213 0.000 1.093 221 I CA 1.328 62.416 61.300 -0.354 0.000 1.355 221 I CB -0.993 36.797 38.000 -0.351 0.000 1.046 221 I HN 0.106 nan 8.210 nan 0.000 0.413 222 P HA -0.072 nan 4.420 nan 0.000 0.216 222 P C 1.948 179.194 177.300 -0.089 0.000 1.153 222 P CA 0.977 63.890 63.100 -0.311 0.000 0.844 222 P CB 0.016 31.222 31.700 -0.823 0.000 0.787 223 V N -0.495 119.342 119.914 -0.128 0.000 2.453 223 V HA -0.235 3.886 4.120 0.001 0.000 0.252 223 V C 2.290 178.347 176.094 -0.061 0.000 1.068 223 V CA 1.723 63.975 62.300 -0.080 0.000 1.070 223 V CB -1.198 30.579 31.823 -0.077 0.000 0.664 223 V HN 0.100 nan 8.190 nan 0.000 0.461 224 L N -1.842 119.335 121.223 -0.077 0.000 2.253 224 L HA 0.113 4.454 4.340 0.001 0.000 0.205 224 L C 1.309 178.145 176.870 -0.057 0.000 1.078 224 L CA 0.088 54.887 54.840 -0.067 0.000 0.805 224 L CB -0.301 41.703 42.059 -0.093 0.000 0.963 224 L HN 0.257 nan 8.230 nan 0.000 0.459 225 M N 0.573 120.144 119.600 -0.050 0.000 2.245 225 M HA 0.031 4.512 4.480 0.001 0.000 0.312 225 M C 0.603 176.871 176.300 -0.052 0.000 1.070 225 M CA 0.786 56.048 55.300 -0.063 0.000 1.162 225 M CB 0.059 32.619 32.600 -0.067 0.000 1.448 225 M HN 0.061 nan 8.290 nan 0.000 0.446 226 E N 0.971 121.118 120.200 -0.088 0.000 2.602 226 E HA 0.081 4.432 4.350 0.001 0.000 0.255 226 E C 0.971 177.500 176.600 -0.119 0.000 1.268 226 E CA -0.546 55.780 56.400 -0.123 0.000 1.007 226 E CB 0.456 30.047 29.700 -0.182 0.000 1.208 226 E HN 0.433 nan 8.360 nan 0.000 0.584 227 E N 0.428 120.539 120.200 -0.148 0.000 2.130 227 E HA -0.147 4.204 4.350 0.001 0.000 0.196 227 E C -0.020 176.505 176.600 -0.126 0.000 0.998 227 E CA 1.481 57.810 56.400 -0.117 0.000 0.806 227 E CB 0.196 29.811 29.700 -0.142 0.000 0.738 227 E HN 0.177 nan 8.360 nan 0.000 0.459 228 K N 0.169 120.492 120.400 -0.127 0.000 2.259 228 K HA 0.475 4.796 4.320 0.001 0.000 0.249 228 K C 0.138 176.660 176.600 -0.130 0.000 0.942 228 K CA -0.592 55.627 56.287 -0.114 0.000 0.816 228 K CB 1.982 34.459 32.500 -0.038 0.000 1.155 228 K HN -0.082 nan 8.250 nan 0.000 0.428 229 L N 2.011 123.115 121.223 -0.198 0.000 2.313 229 L HA 0.669 5.009 4.340 0.001 0.000 0.268 229 L C -0.360 176.508 176.870 -0.003 0.000 1.010 229 L CA -1.131 53.558 54.840 -0.251 0.000 0.814 229 L CB 0.875 42.603 42.059 -0.553 0.000 1.304 229 L HN 0.640 nan 8.230 nan 0.000 0.441 230 F N -0.319 119.485 119.950 -0.243 0.000 2.741 230 F HA 0.924 5.452 4.527 0.001 0.000 0.311 230 F C -1.011 174.652 175.800 -0.227 0.000 1.149 230 F CA -0.864 57.039 58.000 -0.162 0.000 0.930 230 F CB 1.395 40.334 39.000 -0.103 0.000 1.312 230 F HN 0.659 nan 8.300 nan 0.000 0.450 231 A N 1.172 123.925 122.820 -0.111 0.000 2.522 231 A HA 0.809 5.130 4.320 0.001 0.000 0.294 231 A C -1.911 175.623 177.584 -0.084 0.000 1.001 231 A CA -0.300 51.458 52.037 -0.465 0.000 0.642 231 A CB 0.638 19.395 19.000 -0.406 0.000 1.326 231 A HN 2.049 nan 8.150 nan 0.000 0.435 232 F N -1.397 118.519 119.950 -0.056 0.000 3.265 232 F HA 0.795 5.323 4.527 0.001 0.000 0.328 232 F C -1.131 174.618 175.800 -0.085 0.000 1.117 232 F CA -0.489 57.492 58.000 -0.031 0.000 0.850 232 F CB 0.490 39.499 39.000 0.016 0.000 1.470 232 F HN 0.709 nan 8.300 nan 0.000 0.473 233 D N -0.995 119.499 120.400 0.157 0.000 2.566 233 D HA 0.476 5.117 4.640 0.001 0.000 0.254 233 D C -1.919 174.417 176.300 0.060 0.000 1.090 233 D CA -0.241 53.820 54.000 0.103 0.000 1.034 233 D CB 2.596 43.453 40.800 0.095 0.000 1.434 233 D HN 0.492 nan 8.370 nan 0.000 0.509 234 Y N -0.438 119.945 120.300 0.138 0.000 2.549 234 Y HA 0.331 4.882 4.550 0.002 0.000 0.339 234 Y C 0.692 176.681 175.900 0.149 0.000 1.053 234 Y CA -0.684 57.533 58.100 0.195 0.000 1.105 234 Y CB 1.980 40.645 38.460 0.343 0.000 1.258 234 Y HN 0.093 nan 8.280 nan 0.000 0.478 235 T N 1.117 115.847 114.554 0.294 0.000 2.799 235 T HA 0.451 4.802 4.350 0.001 0.000 0.286 235 T C 0.425 175.243 174.700 0.197 0.000 0.973 235 T CA 0.076 62.288 62.100 0.186 0.000 1.035 235 T CB -0.094 68.844 68.868 0.116 0.000 0.932 235 T HN 1.062 nan 8.240 nan 0.000 0.469 236 G N 4.518 113.406 108.800 0.147 0.000 2.334 236 G HA2 -0.290 3.671 3.960 0.001 0.000 0.279 236 G HA3 -0.290 3.671 3.960 0.001 0.000 0.279 236 G C 0.252 175.246 174.900 0.156 0.000 0.918 236 G CA 0.921 46.088 45.100 0.112 0.000 1.314 236 G HN 0.898 nan 8.290 nan 0.000 0.463 237 Y N 1.447 121.777 120.300 0.051 0.000 2.109 237 Y HA -0.129 4.422 4.550 0.001 0.000 0.281 237 Y C 2.605 178.498 175.900 -0.011 0.000 1.113 237 Y CA 2.556 60.653 58.100 -0.004 0.000 1.098 237 Y CB -0.305 38.125 38.460 -0.050 0.000 0.996 237 Y HN 0.578 nan 8.280 nan 0.000 0.485 238 D N 0.319 120.799 120.400 0.133 0.000 2.191 238 D HA -0.260 4.380 4.640 0.001 0.000 0.195 238 D C 1.658 177.980 176.300 0.038 0.000 1.003 238 D CA 1.966 55.998 54.000 0.054 0.000 0.867 238 D CB -0.852 40.054 40.800 0.176 0.000 0.926 238 D HN 0.357 nan 8.370 nan 0.000 0.450 239 A N -0.262 122.594 122.820 0.060 0.000 2.238 239 A HA 0.216 4.537 4.320 0.001 0.000 0.210 239 A C 1.928 179.573 177.584 0.102 0.000 1.179 239 A CA 0.620 52.731 52.037 0.123 0.000 0.827 239 A CB -0.190 18.848 19.000 0.064 0.000 0.856 239 A HN 0.323 nan 8.150 nan 0.000 0.488 240 S N -0.286 115.430 115.700 0.027 0.000 2.593 240 S HA 0.301 4.771 4.470 0.001 0.000 0.217 240 S C 0.373 174.997 174.600 0.039 0.000 0.966 240 S CA -0.349 57.879 58.200 0.046 0.000 0.914 240 S CB -0.537 62.691 63.200 0.046 0.000 0.776 240 S HN 0.375 nan 8.310 nan 0.000 0.523 241 L N 3.660 124.886 121.223 0.004 0.000 2.361 241 L HA 0.322 4.662 4.340 0.001 0.000 0.278 241 L C 0.464 177.538 176.870 0.341 0.000 1.113 241 L CA -0.432 54.474 54.840 0.109 0.000 0.849 241 L CB 0.488 42.574 42.059 0.044 0.000 1.155 241 L HN 0.300 nan 8.230 nan 0.000 0.452 242 S N 2.742 118.700 115.700 0.431 0.000 2.565 242 S HA 0.457 4.927 4.470 0.001 0.000 0.290 242 S C -1.915 172.933 174.600 0.413 0.000 1.150 242 S CA -1.532 56.875 58.200 0.345 0.000 1.058 242 S CB 1.767 65.123 63.200 0.261 0.000 1.032 242 S HN 0.321 nan 8.310 nan 0.000 0.510 243 P HA -0.268 nan 4.420 nan 0.000 0.220 243 P C 1.594 179.027 177.300 0.222 0.000 1.155 243 P CA 2.445 65.678 63.100 0.221 0.000 0.880 243 P CB -0.312 31.436 31.700 0.080 0.000 0.790 244 A N -1.833 121.042 122.820 0.091 0.000 1.917 244 A HA -0.201 4.120 4.320 0.001 0.000 0.219 244 A C 2.169 179.724 177.584 -0.049 0.000 1.182 244 A CA 1.815 53.819 52.037 -0.056 0.000 0.633 244 A CB -1.858 17.006 19.000 -0.226 0.000 0.819 244 A HN 0.263 nan 8.150 nan 0.000 0.448 245 W N -1.521 119.850 121.300 0.118 0.000 2.381 245 W HA -0.045 4.616 4.660 0.001 0.000 0.301 245 W C 1.978 178.453 176.519 -0.073 0.000 1.205 245 W CA 0.525 57.869 57.345 -0.002 0.000 1.285 245 W CB -0.501 28.892 29.460 -0.112 0.000 1.133 245 W HN 0.346 nan 8.180 nan 0.000 0.521 246 F N 0.372 120.443 119.950 0.203 0.000 2.171 246 F HA -0.213 4.315 4.527 0.001 0.000 0.300 246 F C 2.405 178.231 175.800 0.043 0.000 1.090 246 F CA 1.896 59.944 58.000 0.080 0.000 1.293 246 F CB -0.809 38.216 39.000 0.042 0.000 1.013 246 F HN -0.056 nan 8.300 nan 0.000 0.486 247 E N 0.273 120.602 120.200 0.215 0.000 2.106 247 E HA -0.181 4.170 4.350 0.001 0.000 0.192 247 E C 2.344 178.998 176.600 0.090 0.000 0.984 247 E CA 0.832 57.299 56.400 0.112 0.000 0.806 247 E CB -0.121 29.616 29.700 0.062 0.000 0.750 247 E HN 0.339 nan 8.360 nan 0.000 0.458 248 A N 1.192 124.073 122.820 0.101 0.000 1.902 248 A HA -0.180 4.140 4.320 0.001 0.000 0.217 248 A C 2.111 179.773 177.584 0.131 0.000 1.181 248 A CA 1.272 53.380 52.037 0.120 0.000 0.623 248 A CB -0.644 18.464 19.000 0.180 0.000 0.818 248 A HN 0.366 nan 8.150 nan 0.000 0.443 249 L N 0.021 121.309 121.223 0.108 0.000 1.970 249 L HA -0.183 4.158 4.340 0.001 0.000 0.212 249 L C 2.229 179.123 176.870 0.040 0.000 1.071 249 L CA 2.564 57.435 54.840 0.052 0.000 0.751 249 L CB -0.759 41.259 42.059 -0.069 0.000 0.889 249 L HN 0.377 nan 8.230 nan 0.000 0.432 250 K N -0.819 119.606 120.400 0.041 0.000 2.077 250 K HA -0.268 4.053 4.320 0.001 0.000 0.213 250 K C 1.973 178.622 176.600 0.081 0.000 1.051 250 K CA 2.530 58.854 56.287 0.061 0.000 0.929 250 K CB -0.455 32.083 32.500 0.064 0.000 0.715 250 K HN 0.443 nan 8.250 nan 0.000 0.451 251 M N 0.256 119.904 119.600 0.080 0.000 2.279 251 M HA -0.129 4.351 4.480 0.001 0.000 0.264 251 M C 2.082 178.437 176.300 0.092 0.000 1.062 251 M CA 1.013 56.362 55.300 0.082 0.000 1.099 251 M CB -0.154 32.491 32.600 0.076 0.000 1.394 251 M HN -0.051 nan 8.290 nan 0.000 0.426 252 V N 0.652 120.625 119.914 0.099 0.000 2.346 252 V HA -0.178 3.942 4.120 0.001 0.000 0.244 252 V C 2.302 178.451 176.094 0.092 0.000 1.037 252 V CA 1.353 63.707 62.300 0.089 0.000 1.029 252 V CB -0.562 31.318 31.823 0.095 0.000 0.663 252 V HN 0.444 nan 8.190 nan 0.000 0.454 253 L N 0.023 121.310 121.223 0.106 0.000 2.042 253 L HA -0.204 4.137 4.340 0.001 0.000 0.210 253 L C 2.742 179.761 176.870 0.248 0.000 1.076 253 L CA 1.839 56.786 54.840 0.179 0.000 0.749 253 L CB -0.610 41.565 42.059 0.193 0.000 0.893 253 L HN 0.407 nan 8.230 nan 0.000 0.432 254 E N 0.992 121.295 120.200 0.173 0.000 2.051 254 E HA -0.222 4.129 4.350 0.001 0.000 0.192 254 E C 2.047 178.720 176.600 0.120 0.000 0.991 254 E CA 1.302 57.787 56.400 0.142 0.000 0.799 254 E CB 0.084 29.844 29.700 0.099 0.000 0.748 254 E HN 0.462 nan 8.360 nan 0.000 0.449 255 K N 0.501 120.964 120.400 0.104 0.000 2.209 255 K HA -0.108 4.213 4.320 0.001 0.000 0.204 255 K C 2.210 178.864 176.600 0.091 0.000 1.048 255 K CA 1.432 57.768 56.287 0.082 0.000 0.940 255 K CB -0.258 32.283 32.500 0.069 0.000 0.729 255 K HN 0.392 nan 8.250 nan 0.000 0.451 256 I N -4.502 116.152 120.570 0.140 0.000 3.860 256 I HA 0.291 4.461 4.170 0.001 0.000 0.319 256 I C 0.932 177.179 176.117 0.218 0.000 1.279 256 I CA 0.379 61.782 61.300 0.172 0.000 1.220 256 I CB 0.716 38.828 38.000 0.186 0.000 1.027 256 I HN 0.140 nan 8.210 nan 0.000 0.428 257 G N 1.137 110.049 108.800 0.186 0.000 2.227 257 G HA2 -0.193 3.768 3.960 0.001 0.000 0.168 257 G HA3 -0.193 3.768 3.960 0.001 0.000 0.168 257 G C 0.124 174.955 174.900 -0.115 0.000 1.006 257 G CA -0.294 44.812 45.100 0.009 0.000 0.684 257 G HN 0.307 nan 8.290 nan 0.000 0.489 258 F N 2.066 122.063 119.950 0.079 0.000 2.641 258 F HA 0.376 4.903 4.527 0.001 0.000 0.302 258 F C 2.301 178.158 175.800 0.094 0.000 1.098 258 F CA 0.547 58.608 58.000 0.102 0.000 1.318 258 F CB 0.438 39.578 39.000 0.234 0.000 1.035 258 F HN 0.183 nan 8.300 nan 0.000 0.551 259 G N 0.974 109.870 108.800 0.159 0.000 2.513 259 G HA2 -0.363 3.598 3.960 0.001 0.000 0.219 259 G HA3 -0.363 3.598 3.960 0.001 0.000 0.219 259 G C 1.556 176.507 174.900 0.085 0.000 1.160 259 G CA 1.441 46.611 45.100 0.116 0.000 0.767 259 G HN 0.434 nan 8.290 nan 0.000 0.571 260 D N 1.188 121.613 120.400 0.041 0.000 2.228 260 D HA -0.173 4.468 4.640 0.001 0.000 0.203 260 D C 2.012 178.337 176.300 0.041 0.000 0.988 260 D CA 1.069 55.081 54.000 0.020 0.000 0.864 260 D CB -0.365 40.429 40.800 -0.011 0.000 0.928 260 D HN 0.481 nan 8.370 nan 0.000 0.469 261 R N 1.052 121.611 120.500 0.098 0.000 2.397 261 R HA 0.160 4.501 4.340 0.001 0.000 0.241 261 R C 2.152 178.645 176.300 0.322 0.000 0.914 261 R CA 0.436 56.645 56.100 0.183 0.000 1.071 261 R CB -0.894 29.469 30.300 0.106 0.000 1.116 261 R HN 0.267 nan 8.270 nan 0.000 0.524 262 V N 0.862 120.932 119.914 0.259 0.000 2.982 262 V HA -0.224 3.897 4.120 0.001 0.000 0.265 262 V C 1.786 177.939 176.094 0.098 0.000 1.122 262 V CA 2.103 64.546 62.300 0.238 0.000 1.143 262 V CB -0.646 31.268 31.823 0.152 0.000 0.726 262 V HN 0.214 nan 8.190 nan 0.000 0.507 263 D N -0.541 119.847 120.400 -0.019 0.000 2.219 263 D HA -0.244 4.396 4.640 0.001 0.000 0.205 263 D C 1.814 177.887 176.300 -0.379 0.000 0.970 263 D CA 1.260 55.115 54.000 -0.243 0.000 0.851 263 D CB -0.675 39.940 40.800 -0.309 0.000 0.943 263 D HN 0.526 nan 8.370 nan 0.000 0.488 264 Y N 0.840 121.127 120.300 -0.022 0.000 2.315 264 Y HA -0.042 4.509 4.550 0.001 0.000 0.288 264 Y C 2.419 178.391 175.900 0.120 0.000 1.154 264 Y CA 0.770 58.974 58.100 0.174 0.000 1.229 264 Y CB -0.327 38.385 38.460 0.420 0.000 0.980 264 Y HN -0.001 nan 8.280 nan 0.000 0.540 265 I N -0.644 120.032 120.570 0.176 0.000 2.406 265 I HA -0.233 3.938 4.170 0.001 0.000 0.249 265 I C 1.754 177.863 176.117 -0.013 0.000 1.122 265 I CA 1.037 62.370 61.300 0.055 0.000 1.431 265 I CB -0.294 37.696 38.000 -0.017 0.000 1.087 265 I HN 0.062 nan 8.210 nan 0.000 0.424 266 D N 0.412 120.737 120.400 -0.126 0.000 2.221 266 D HA -0.198 4.442 4.640 0.001 0.000 0.204 266 D C 1.865 178.114 176.300 -0.084 0.000 0.982 266 D CA 1.510 55.409 54.000 -0.168 0.000 0.857 266 D CB -0.179 40.467 40.800 -0.256 0.000 0.934 266 D HN 0.387 nan 8.370 nan 0.000 0.475 267 Y N 0.320 120.666 120.300 0.076 0.000 2.516 267 Y HA 0.100 4.651 4.550 0.001 0.000 0.291 267 Y C 2.288 178.223 175.900 0.059 0.000 1.131 267 Y CA 0.008 58.164 58.100 0.092 0.000 1.281 267 Y CB -0.520 38.017 38.460 0.128 0.000 1.013 267 Y HN -0.023 nan 8.280 nan 0.000 0.554 268 L N -0.616 120.694 121.223 0.146 0.000 2.270 268 L HA -0.105 4.236 4.340 0.001 0.000 0.210 268 L C 1.687 178.457 176.870 -0.167 0.000 1.104 268 L CA 0.919 55.786 54.840 0.046 0.000 0.804 268 L CB -0.389 41.730 42.059 0.099 0.000 0.937 268 L HN 0.269 nan 8.230 nan 0.000 0.450 269 N N -1.482 117.049 118.700 -0.282 0.000 2.216 269 N HA -0.147 4.594 4.740 0.001 0.000 0.183 269 N C 0.862 176.320 175.510 -0.086 0.000 1.017 269 N CA 0.490 53.316 53.050 -0.374 0.000 0.861 269 N CB 0.131 38.429 38.487 -0.315 0.000 0.986 269 N HN 0.274 nan 8.380 nan 0.000 0.428 270 H N 0.902 119.936 119.070 -0.061 0.000 2.691 270 H HA 0.250 4.807 4.556 0.001 0.000 0.281 270 H C -0.997 174.379 175.328 0.079 0.000 1.121 270 H CA -0.491 55.559 56.048 0.003 0.000 1.254 270 H CB 0.439 30.244 29.762 0.071 0.000 1.390 270 H HN 0.069 nan 8.280 nan 0.000 0.491 271 S N 3.648 119.206 115.700 -0.236 0.000 2.568 271 S HA 0.427 4.898 4.470 0.001 0.000 0.302 271 S C -0.898 173.512 174.600 -0.317 0.000 1.082 271 S CA -0.948 57.145 58.200 -0.179 0.000 1.009 271 S CB 2.066 65.168 63.200 -0.163 0.000 1.069 271 S HN 0.592 nan 8.310 nan 0.000 0.500 272 H N 0.678 119.441 119.070 -0.511 0.000 2.529 272 H HA 0.606 5.163 4.556 0.001 0.000 0.348 272 H C -0.341 174.573 175.328 -0.690 0.000 1.152 272 H CA -0.458 55.273 56.048 -0.528 0.000 1.202 272 H CB 0.874 30.402 29.762 -0.391 0.000 1.562 272 H HN 0.663 nan 8.280 nan 0.000 0.515 273 H N 1.828 120.442 119.070 -0.760 0.000 2.717 273 H HA 0.338 4.895 4.556 0.001 0.000 0.366 273 H C -0.387 174.586 175.328 -0.591 0.000 1.132 273 H CA -0.762 54.844 56.048 -0.737 0.000 1.180 273 H CB 2.254 31.401 29.762 -1.025 0.000 1.678 273 H HN 0.281 nan 8.280 nan 0.000 0.537 274 L N 2.191 123.267 121.223 -0.244 0.000 2.379 274 L HA 0.299 4.640 4.340 0.001 0.000 0.269 274 L C -0.794 176.154 176.870 0.129 0.000 1.084 274 L CA -0.641 54.136 54.840 -0.104 0.000 0.802 274 L CB 0.863 42.789 42.059 -0.223 0.000 1.175 274 L HN 0.623 nan 8.230 nan 0.000 0.448 275 Y N 2.760 123.106 120.300 0.077 0.000 2.347 275 Y HA 0.209 4.760 4.550 0.001 0.000 0.339 275 Y C 0.186 176.134 175.900 0.079 0.000 1.152 275 Y CA -0.440 57.733 58.100 0.121 0.000 1.321 275 Y CB 0.488 39.144 38.460 0.327 0.000 1.137 275 Y HN 0.750 nan 8.280 nan 0.000 0.486 276 K N 1.671 122.020 120.400 -0.085 0.000 6.001 276 K HA -0.341 3.979 4.320 0.001 0.000 0.277 276 K C 0.403 177.055 176.600 0.087 0.000 0.834 276 K CA 2.531 58.815 56.287 -0.005 0.000 0.935 276 K CB -1.408 31.141 32.500 0.081 0.000 0.754 276 K HN 0.830 nan 8.250 nan 0.000 0.818 277 N N 0.166 118.954 118.700 0.147 0.000 2.220 277 N HA 0.067 4.808 4.740 0.001 0.000 0.195 277 N C -0.219 175.378 175.510 0.146 0.000 1.123 277 N CA -0.350 52.777 53.050 0.127 0.000 0.874 277 N CB 0.532 39.085 38.487 0.110 0.000 0.995 277 N HN 0.050 nan 8.380 nan 0.000 0.498 278 K N 1.257 121.770 120.400 0.189 0.000 2.148 278 K HA 0.414 4.735 4.320 0.001 0.000 0.239 278 K C -0.446 176.279 176.600 0.209 0.000 1.018 278 K CA -0.081 56.311 56.287 0.176 0.000 0.923 278 K CB 1.404 33.976 32.500 0.120 0.000 1.117 278 K HN -0.093 nan 8.250 nan 0.000 0.477 279 T N 1.487 116.172 114.554 0.219 0.000 3.237 279 T HA 0.376 4.726 4.350 0.001 0.000 0.319 279 T C -1.353 173.443 174.700 0.160 0.000 1.037 279 T CA -0.838 61.378 62.100 0.194 0.000 1.048 279 T CB 0.324 69.367 68.868 0.293 0.000 1.081 279 T HN 0.524 nan 8.240 nan 0.000 0.455 280 Y N -0.358 119.797 120.300 -0.242 0.000 2.605 280 Y HA 0.870 5.420 4.550 0.001 0.000 0.343 280 Y C -0.403 174.941 175.900 -0.927 0.000 1.036 280 Y CA -1.458 56.293 58.100 -0.581 0.000 1.065 280 Y CB 0.899 39.051 38.460 -0.512 0.000 1.288 280 Y HN 0.761 nan 8.280 nan 0.000 0.481 281 C N 2.413 120.919 119.300 -1.324 0.000 2.529 281 C HA 0.953 5.414 4.460 0.001 0.000 0.329 281 C C -1.025 173.492 174.990 -0.789 0.000 1.194 281 C CA -0.368 57.825 59.018 -1.374 0.000 1.779 281 C CB 0.893 27.502 27.740 -1.884 0.000 2.322 281 C HN 0.826 nan 8.230 nan 0.000 0.500 282 V N 4.346 123.884 119.914 -0.628 0.000 2.925 282 V HA 0.628 4.748 4.120 0.001 0.000 0.311 282 V C -0.813 175.131 176.094 -0.250 0.000 1.104 282 V CA -0.648 61.397 62.300 -0.426 0.000 0.954 282 V CB 2.095 33.641 31.823 -0.461 0.000 1.022 282 V HN 0.901 nan 8.190 nan 0.000 0.427 283 K N 1.880 122.199 120.400 -0.135 0.000 2.443 283 K HA 0.751 5.071 4.320 0.001 0.000 0.252 283 K C 0.131 176.693 176.600 -0.063 0.000 0.933 283 K CA -0.116 56.152 56.287 -0.030 0.000 0.792 283 K CB 2.171 34.704 32.500 0.054 0.000 1.185 283 K HN 1.305 nan 8.250 nan 0.000 0.425 284 G N 1.174 109.901 108.800 -0.122 0.000 2.760 284 G HA2 0.182 4.143 3.960 0.001 0.000 0.246 284 G HA3 0.182 4.143 3.960 0.001 0.000 0.246 284 G C 0.086 174.937 174.900 -0.080 0.000 1.359 284 G CA -0.277 44.747 45.100 -0.127 0.000 0.861 284 G HN 1.207 nan 8.290 nan 0.000 0.541 285 G N -2.037 106.846 108.800 0.137 0.000 2.728 285 G HA2 0.288 4.249 3.960 0.001 0.000 0.686 285 G HA3 0.288 4.249 3.960 0.001 0.000 0.686 285 G C -0.144 174.953 174.900 0.328 0.000 1.337 285 G CA 0.648 45.902 45.100 0.257 0.000 0.861 285 G HN 2.258 nan 8.290 nan 0.000 0.597 286 M N 3.581 123.425 119.600 0.407 0.000 2.084 286 M HA 0.555 5.036 4.480 0.001 0.000 0.351 286 M C -1.983 174.487 176.300 0.283 0.000 1.240 286 M CA -2.985 52.553 55.300 0.397 0.000 1.083 286 M CB 1.018 33.810 32.600 0.319 0.000 1.593 286 M HN 0.222 nan 8.290 nan 0.000 0.463 287 P HA 0.144 nan 4.420 nan 0.000 0.256 287 P C -0.997 176.434 177.300 0.218 0.000 1.688 287 P CA -0.049 63.207 63.100 0.261 0.000 1.162 287 P CB -0.520 31.299 31.700 0.198 0.000 1.870 288 S N 2.164 117.988 115.700 0.207 0.000 2.571 288 S HA 0.326 4.797 4.470 0.001 0.000 0.297 288 S C 1.610 176.293 174.600 0.139 0.000 1.234 288 S CA 0.763 59.059 58.200 0.159 0.000 1.120 288 S CB -0.405 62.880 63.200 0.141 0.000 0.923 288 S HN 0.705 nan 8.310 nan 0.000 0.504 289 G N 1.211 110.078 108.800 0.112 0.000 2.738 289 G HA2 -0.190 3.771 3.960 0.001 0.000 0.195 289 G HA3 -0.190 3.771 3.960 0.001 0.000 0.195 289 G C 0.407 175.358 174.900 0.085 0.000 1.001 289 G CA -0.270 44.888 45.100 0.096 0.000 0.759 289 G HN 1.022 nan 8.290 nan 0.000 0.494 290 C N 1.466 120.828 119.300 0.103 0.000 2.553 290 C HA 0.830 5.291 4.460 0.001 0.000 0.345 290 C C 1.568 176.612 174.990 0.090 0.000 1.369 290 C CA 0.120 59.204 59.018 0.110 0.000 2.447 290 C CB 0.841 28.671 27.740 0.150 0.000 2.358 290 C HN 1.456 nan 8.230 nan 0.000 0.676 291 S N 0.136 115.901 115.700 0.109 0.000 2.592 291 S HA 0.492 4.963 4.470 0.001 0.000 0.271 291 S C 1.207 175.804 174.600 -0.005 0.000 1.326 291 S CA 0.692 58.922 58.200 0.050 0.000 1.024 291 S CB 0.269 63.556 63.200 0.145 0.000 0.921 291 S HN 2.926 nan 8.310 nan 0.000 0.527 292 G N 2.507 111.059 108.800 -0.413 0.000 2.168 292 G HA2 -0.308 3.653 3.960 0.001 0.000 0.263 292 G HA3 -0.308 3.653 3.960 0.001 0.000 0.263 292 G C 0.855 175.458 174.900 -0.494 0.000 0.977 292 G CA 0.770 45.376 45.100 -0.822 0.000 0.659 292 G HN 0.928 nan 8.290 nan 0.000 0.533 293 T N 0.588 115.043 114.554 -0.165 0.000 2.565 293 T HA -0.232 4.119 4.350 0.001 0.000 0.265 293 T C 2.519 177.170 174.700 -0.082 0.000 1.082 293 T CA 2.386 64.476 62.100 -0.017 0.000 1.173 293 T CB -0.459 68.416 68.868 0.012 0.000 0.864 293 T HN 0.453 nan 8.240 nan 0.000 0.425 294 S N 0.221 115.821 115.700 -0.166 0.000 2.359 294 S HA -0.042 4.429 4.470 0.001 0.000 0.224 294 S C 2.035 176.472 174.600 -0.270 0.000 1.035 294 S CA 1.127 59.217 58.200 -0.185 0.000 1.018 294 S CB -0.413 62.655 63.200 -0.219 0.000 0.876 294 S HN 0.361 nan 8.310 nan 0.000 0.448 295 I N 0.189 120.491 120.570 -0.447 0.000 2.439 295 I HA -0.092 4.078 4.170 0.001 0.000 0.251 295 I C 1.513 177.369 176.117 -0.435 0.000 1.139 295 I CA 0.807 61.760 61.300 -0.579 0.000 1.438 295 I CB -0.096 37.384 38.000 -0.867 0.000 1.085 295 I HN 0.244 nan 8.210 nan 0.000 0.427 296 F N 0.590 120.401 119.950 -0.231 0.000 2.149 296 F HA -0.089 4.438 4.527 0.001 0.000 0.294 296 F C 2.349 178.080 175.800 -0.115 0.000 1.095 296 F CA 0.772 58.667 58.000 -0.174 0.000 1.276 296 F CB -1.285 37.637 39.000 -0.129 0.000 1.023 296 F HN 0.065 nan 8.300 nan 0.000 0.480 297 N N 0.223 118.992 118.700 0.115 0.000 2.094 297 N HA -0.165 4.575 4.740 0.001 0.000 0.191 297 N C 1.987 177.526 175.510 0.049 0.000 1.023 297 N CA 1.681 54.808 53.050 0.128 0.000 0.857 297 N CB -0.712 37.863 38.487 0.146 0.000 1.013 297 N HN 0.128 nan 8.380 nan 0.000 0.426 298 S N 0.828 116.521 115.700 -0.012 0.000 2.355 298 S HA -0.015 4.455 4.470 0.001 0.000 0.222 298 S C 2.041 176.674 174.600 0.055 0.000 1.031 298 S CA 0.943 59.142 58.200 -0.001 0.000 0.993 298 S CB -0.128 63.066 63.200 -0.010 0.000 0.859 298 S HN 0.313 nan 8.310 nan 0.000 0.453 299 M N 0.785 120.458 119.600 0.122 0.000 2.117 299 M HA -0.047 4.433 4.480 0.001 0.000 0.262 299 M C 2.004 178.375 176.300 0.118 0.000 1.065 299 M CA 1.420 56.889 55.300 0.282 0.000 1.114 299 M CB -0.676 32.136 32.600 0.353 0.000 1.361 299 M HN 0.247 nan 8.290 nan 0.000 0.408 300 I N 0.146 120.737 120.570 0.035 0.000 2.208 300 I HA -0.333 3.838 4.170 0.001 0.000 0.245 300 I C 2.336 178.354 176.117 -0.165 0.000 1.097 300 I CA 1.000 62.251 61.300 -0.082 0.000 1.363 300 I CB -0.764 37.108 38.000 -0.212 0.000 1.051 300 I HN 0.382 nan 8.210 nan 0.000 0.413 301 N N 1.524 120.167 118.700 -0.096 0.000 2.018 301 N HA -0.239 4.502 4.740 0.001 0.000 0.196 301 N C 1.517 176.943 175.510 -0.140 0.000 1.043 301 N CA 1.639 54.631 53.050 -0.097 0.000 0.856 301 N CB -0.568 37.883 38.487 -0.059 0.000 1.042 301 N HN 0.342 nan 8.380 nan 0.000 0.423 302 N N 0.403 118.966 118.700 -0.227 0.000 2.247 302 N HA -0.170 4.570 4.740 0.001 0.000 0.189 302 N C 1.724 177.045 175.510 -0.315 0.000 1.009 302 N CA 0.803 53.597 53.050 -0.426 0.000 0.872 302 N CB -0.063 37.770 38.487 -1.090 0.000 0.980 302 N HN 0.324 nan 8.380 nan 0.000 0.436 303 L N 0.507 121.632 121.223 -0.164 0.000 2.071 303 L HA -0.029 4.312 4.340 0.001 0.000 0.201 303 L C 2.282 179.188 176.870 0.060 0.000 1.076 303 L CA 0.516 55.389 54.840 0.054 0.000 0.755 303 L CB -0.414 41.790 42.059 0.241 0.000 0.915 303 L HN 0.015 nan 8.230 nan 0.000 0.445 304 I N 0.007 120.465 120.570 -0.187 0.000 2.087 304 I HA -0.372 3.798 4.170 0.001 0.000 0.240 304 I C 2.480 178.591 176.117 -0.011 0.000 1.054 304 I CA 1.424 62.544 61.300 -0.299 0.000 1.311 304 I CB -0.372 37.325 38.000 -0.506 0.000 1.024 304 I HN 0.182 nan 8.210 nan 0.000 0.402 305 I N 0.686 121.274 120.570 0.031 0.000 2.091 305 I HA -0.307 3.863 4.170 0.001 0.000 0.239 305 I C 2.678 178.842 176.117 0.078 0.000 1.061 305 I CA 1.712 63.075 61.300 0.104 0.000 1.317 305 I CB -1.420 36.630 38.000 0.083 0.000 1.031 305 I HN 0.253 nan 8.210 nan 0.000 0.401 306 R N -0.219 120.319 120.500 0.062 0.000 2.103 306 R HA -0.185 4.156 4.340 0.001 0.000 0.242 306 R C 2.246 178.596 176.300 0.085 0.000 1.142 306 R CA 2.095 58.245 56.100 0.084 0.000 0.960 306 R CB -0.700 29.679 30.300 0.132 0.000 0.858 306 R HN 0.408 nan 8.270 nan 0.000 0.439 307 T N 1.430 116.057 114.554 0.122 0.000 2.708 307 T HA -0.077 4.273 4.350 0.001 0.000 0.266 307 T C 1.844 176.558 174.700 0.022 0.000 1.037 307 T CA 1.130 63.312 62.100 0.137 0.000 1.146 307 T CB -0.097 68.929 68.868 0.263 0.000 0.865 307 T HN 0.153 nan 8.240 nan 0.000 0.435 308 L N 0.461 121.680 121.223 -0.008 0.000 2.156 308 L HA 0.074 4.415 4.340 0.001 0.000 0.208 308 L C 2.394 179.237 176.870 -0.045 0.000 1.095 308 L CA 0.794 55.614 54.840 -0.034 0.000 0.770 308 L CB -0.622 41.434 42.059 -0.004 0.000 0.914 308 L HN 0.239 nan 8.230 nan 0.000 0.439 309 L N -0.315 120.885 121.223 -0.039 0.000 2.265 309 L HA -0.190 4.151 4.340 0.001 0.000 0.215 309 L C 2.329 179.155 176.870 -0.072 0.000 1.117 309 L CA 1.006 55.803 54.840 -0.072 0.000 0.782 309 L CB -0.261 41.717 42.059 -0.136 0.000 0.914 309 L HN 0.340 nan 8.230 nan 0.000 0.441 310 L N -0.606 120.548 121.223 -0.115 0.000 2.202 310 L HA -0.077 4.264 4.340 0.001 0.000 0.205 310 L C 2.202 178.799 176.870 -0.456 0.000 1.083 310 L CA 0.618 55.343 54.840 -0.192 0.000 0.790 310 L CB -0.237 41.763 42.059 -0.098 0.000 0.942 310 L HN 0.139 nan 8.230 nan 0.000 0.452 311 K N -0.332 119.756 120.400 -0.520 0.000 2.591 311 K HA -0.002 4.319 4.320 0.001 0.000 0.197 311 K C 0.481 176.905 176.600 -0.294 0.000 1.026 311 K CA 0.609 56.523 56.287 -0.622 0.000 1.127 311 K CB 0.138 32.459 32.500 -0.297 0.000 0.871 311 K HN 0.221 nan 8.250 nan 0.000 0.507 312 T N -1.395 113.021 114.554 -0.230 0.000 3.507 312 T HA 0.081 4.431 4.350 0.001 0.000 0.280 312 T C -0.714 173.778 174.700 -0.347 0.000 0.976 312 T CA -0.129 61.825 62.100 -0.244 0.000 1.096 312 T CB 0.008 68.779 68.868 -0.161 0.000 1.168 312 T HN 0.017 nan 8.240 nan 0.000 0.463 313 Y N 3.344 123.527 120.300 -0.195 0.000 2.802 313 Y HA 0.562 5.113 4.550 0.001 0.000 0.330 313 Y C 0.339 176.157 175.900 -0.137 0.000 1.193 313 Y CA -1.417 56.580 58.100 -0.173 0.000 1.427 313 Y CB 0.181 38.507 38.460 -0.224 0.000 1.357 313 Y HN -0.029 nan 8.280 nan 0.000 0.501 314 K N 1.808 122.168 120.400 -0.067 0.000 2.543 314 K HA 0.038 4.358 4.320 0.001 0.000 0.279 314 K C 1.091 177.694 176.600 0.005 0.000 1.001 314 K CA 1.194 57.459 56.287 -0.037 0.000 1.088 314 K CB -0.107 32.362 32.500 -0.051 0.000 0.863 314 K HN 0.852 nan 8.250 nan 0.000 0.488 315 G N 4.006 112.811 108.800 0.010 0.000 2.390 315 G HA2 -0.308 3.653 3.960 0.001 0.000 0.299 315 G HA3 -0.308 3.653 3.960 0.001 0.000 0.299 315 G C 0.081 175.007 174.900 0.044 0.000 1.002 315 G CA 0.459 45.573 45.100 0.024 0.000 0.979 315 G HN 0.740 nan 8.290 nan 0.000 0.513 316 I N 0.038 120.623 120.570 0.024 0.000 2.529 316 I HA 0.427 4.598 4.170 0.001 0.000 0.284 316 I C 0.132 176.253 176.117 0.008 0.000 1.082 316 I CA -0.831 60.473 61.300 0.007 0.000 1.406 316 I CB 0.929 38.853 38.000 -0.126 0.000 1.405 316 I HN 0.126 nan 8.210 nan 0.000 0.548 317 D N 6.462 126.927 120.400 0.107 0.000 2.232 317 D HA 0.199 4.840 4.640 0.001 0.000 0.242 317 D C 0.635 176.927 176.300 -0.013 0.000 1.093 317 D CA -0.057 53.939 54.000 -0.008 0.000 0.845 317 D CB 1.167 41.915 40.800 -0.088 0.000 1.124 317 D HN 0.575 nan 8.370 nan 0.000 0.467 318 L N 2.466 123.569 121.223 -0.199 0.000 2.418 318 L HA 0.012 4.353 4.340 0.001 0.000 0.218 318 L C 0.813 177.674 176.870 -0.016 0.000 1.125 318 L CA 0.343 55.049 54.840 -0.224 0.000 0.835 318 L CB 0.051 41.674 42.059 -0.727 0.000 0.953 318 L HN 0.333 nan 8.230 nan 0.000 0.454 319 D N -0.900 119.448 120.400 -0.086 0.000 2.392 319 D HA -0.112 4.529 4.640 0.001 0.000 0.228 319 D C 1.372 177.723 176.300 0.085 0.000 1.003 319 D CA 0.845 54.870 54.000 0.043 0.000 0.917 319 D CB 0.047 40.821 40.800 -0.044 0.000 0.890 319 D HN 0.292 nan 8.370 nan 0.000 0.532 320 H N -1.015 118.148 119.070 0.155 0.000 2.986 320 H HA 0.217 4.773 4.556 0.001 0.000 0.267 320 H C 0.176 175.631 175.328 0.211 0.000 1.072 320 H CA -0.621 55.453 56.048 0.044 0.000 1.202 320 H CB 0.115 29.743 29.762 -0.224 0.000 1.535 320 H HN 0.076 nan 8.280 nan 0.000 0.522 321 L N 2.657 124.162 121.223 0.470 0.000 2.369 321 L HA 0.238 4.579 4.340 0.001 0.000 0.279 321 L C -0.202 176.793 176.870 0.207 0.000 1.108 321 L CA -0.012 55.058 54.840 0.383 0.000 0.852 321 L CB 0.330 42.535 42.059 0.243 0.000 1.169 321 L HN -0.164 nan 8.230 nan 0.000 0.452 322 K N 8.307 128.780 120.400 0.122 0.000 2.521 322 K HA 0.402 4.723 4.320 0.001 0.000 0.248 322 K C -0.781 175.769 176.600 -0.082 0.000 0.978 322 K CA -0.299 56.000 56.287 0.020 0.000 0.947 322 K CB 1.465 33.961 32.500 -0.007 0.000 1.165 322 K HN 0.851 nan 8.250 nan 0.000 0.445 323 M N 1.148 120.688 119.600 -0.099 0.000 2.690 323 M HA 0.653 5.134 4.480 0.001 0.000 0.302 323 M C -1.070 175.131 176.300 -0.165 0.000 1.234 323 M CA -0.970 54.205 55.300 -0.208 0.000 0.853 323 M CB 1.806 34.267 32.600 -0.231 0.000 1.748 323 M HN 0.276 nan 8.290 nan 0.000 0.469 324 I N 1.464 121.887 120.570 -0.245 0.000 2.569 324 I HA 0.769 4.940 4.170 0.001 0.000 0.290 324 I C -0.869 175.195 176.117 -0.088 0.000 1.088 324 I CA -0.697 60.530 61.300 -0.122 0.000 1.047 324 I CB 2.273 40.204 38.000 -0.116 0.000 1.237 324 I HN 0.971 nan 8.210 nan 0.000 0.421 325 A N 4.849 127.740 122.820 0.119 0.000 2.380 325 A HA 0.775 5.096 4.320 0.001 0.000 0.315 325 A C -1.781 175.996 177.584 0.322 0.000 1.101 325 A CA -0.392 51.767 52.037 0.203 0.000 0.771 325 A CB 1.333 20.364 19.000 0.053 0.000 1.287 325 A HN 0.631 nan 8.150 nan 0.000 0.436 326 Y N 1.211 121.629 120.300 0.196 0.000 2.563 326 Y HA 0.480 5.031 4.550 0.001 0.000 0.351 326 Y C 0.767 176.649 175.900 -0.031 0.000 1.087 326 Y CA 0.499 58.632 58.100 0.055 0.000 1.272 326 Y CB 0.687 39.114 38.460 -0.055 0.000 1.095 326 Y HN 1.832 nan 8.280 nan 0.000 0.620 327 G N 3.334 112.155 108.800 0.034 0.000 2.509 327 G HA2 -0.365 3.596 3.960 0.001 0.000 0.259 327 G HA3 -0.365 3.596 3.960 0.001 0.000 0.259 327 G C 0.805 175.541 174.900 -0.273 0.000 1.169 327 G CA 0.459 45.522 45.100 -0.062 0.000 0.953 327 G HN 0.588 nan 8.290 nan 0.000 0.563 328 D N 1.015 121.092 120.400 -0.538 0.000 2.183 328 D HA -0.008 4.633 4.640 0.001 0.000 0.203 328 D C 0.735 177.005 176.300 -0.050 0.000 0.969 328 D CA 1.047 54.604 54.000 -0.738 0.000 0.842 328 D CB -0.687 39.510 40.800 -1.005 0.000 0.957 328 D HN 0.436 nan 8.370 nan 0.000 0.484 329 D N 0.517 120.928 120.400 0.017 0.000 2.772 329 D HA 0.012 4.653 4.640 0.001 0.000 0.227 329 D C -0.579 175.855 176.300 0.222 0.000 1.114 329 D CA 0.530 54.614 54.000 0.140 0.000 0.832 329 D CB 0.859 41.743 40.800 0.141 0.000 1.154 329 D HN 0.036 nan 8.370 nan 0.000 0.514 330 V N 5.440 125.418 119.914 0.106 0.000 2.891 330 V HA 0.483 4.604 4.120 0.001 0.000 0.304 330 V C -1.267 174.587 176.094 -0.399 0.000 1.171 330 V CA -0.931 61.302 62.300 -0.112 0.000 0.943 330 V CB 2.273 33.950 31.823 -0.242 0.000 1.037 330 V HN 0.460 nan 8.190 nan 0.000 0.427 331 I N 6.496 126.647 120.570 -0.698 0.000 2.389 331 I HA 0.885 5.056 4.170 0.001 0.000 0.288 331 I C -0.135 175.536 176.117 -0.743 0.000 0.999 331 I CA -0.194 60.640 61.300 -0.775 0.000 1.129 331 I CB 1.364 38.800 38.000 -0.941 0.000 1.288 331 I HN 0.984 nan 8.210 nan 0.000 0.444 332 A N 5.239 127.523 122.820 -0.893 0.000 2.423 332 A HA 0.909 5.230 4.320 0.001 0.000 0.304 332 A C -0.815 176.253 177.584 -0.861 0.000 1.104 332 A CA -0.316 51.144 52.037 -0.962 0.000 0.757 332 A CB 1.882 20.020 19.000 -1.437 0.000 1.313 332 A HN 0.771 nan 8.150 nan 0.000 0.423 333 S N -0.491 114.964 115.700 -0.408 0.000 2.596 333 S HA 0.806 5.276 4.470 0.001 0.000 0.270 333 S C -1.386 173.343 174.600 0.214 0.000 1.155 333 S CA -0.553 57.589 58.200 -0.097 0.000 0.827 333 S CB 1.399 64.482 63.200 -0.195 0.000 1.130 333 S HN 1.649 nan 8.310 nan 0.000 0.467 334 Y N 0.397 120.712 120.300 0.026 0.000 2.592 334 Y HA 0.530 5.080 4.550 0.001 0.000 0.334 334 Y C -2.681 173.162 175.900 -0.095 0.000 1.136 334 Y CA -1.901 56.197 58.100 -0.004 0.000 1.042 334 Y CB 2.106 40.567 38.460 0.001 0.000 1.325 334 Y HN 0.484 nan 8.280 nan 0.000 0.457 335 P HA -0.061 nan 4.420 nan 0.000 0.218 335 P C -0.434 176.527 177.300 -0.564 0.000 1.149 335 P CA 1.723 64.406 63.100 -0.696 0.000 0.817 335 P CB 0.233 31.337 31.700 -0.992 0.000 0.785 336 H N -0.972 118.031 119.070 -0.110 0.000 2.567 336 H HA 0.245 4.802 4.556 0.001 0.000 0.345 336 H C 0.188 175.574 175.328 0.097 0.000 1.169 336 H CA -0.645 55.437 56.048 0.057 0.000 1.227 336 H CB 1.037 30.884 29.762 0.141 0.000 1.607 336 H HN -0.037 nan 8.280 nan 0.000 0.534 337 E N 2.452 122.738 120.200 0.143 0.000 2.223 337 E HA 0.158 4.509 4.350 0.001 0.000 0.282 337 E C -0.635 175.917 176.600 -0.079 0.000 1.046 337 E CA -0.349 56.069 56.400 0.030 0.000 0.857 337 E CB 0.710 30.421 29.700 0.017 0.000 1.055 337 E HN 0.399 nan 8.360 nan 0.000 0.409 338 V N 3.021 122.784 119.914 -0.251 0.000 2.612 338 V HA 0.393 4.514 4.120 0.001 0.000 0.301 338 V C -0.511 175.369 176.094 -0.356 0.000 1.046 338 V CA -0.814 61.157 62.300 -0.548 0.000 0.946 338 V CB 1.845 33.019 31.823 -1.082 0.000 1.003 338 V HN 0.620 nan 8.190 nan 0.000 0.459 339 D N 4.163 124.437 120.400 -0.210 0.000 2.317 339 D HA 0.589 5.230 4.640 0.001 0.000 0.234 339 D C 0.790 176.930 176.300 -0.267 0.000 1.112 339 D CA 0.191 54.099 54.000 -0.154 0.000 0.840 339 D CB 1.746 42.512 40.800 -0.057 0.000 1.078 339 D HN 0.828 nan 8.370 nan 0.000 0.486 340 A N 3.069 125.705 122.820 -0.308 0.000 2.121 340 A HA -0.089 4.231 4.320 0.001 0.000 0.218 340 A C 2.038 178.951 177.584 -1.120 0.000 1.154 340 A CA 1.496 53.238 52.037 -0.491 0.000 0.679 340 A CB -0.559 18.331 19.000 -0.184 0.000 0.795 340 A HN 0.628 nan 8.150 nan 0.000 0.458 341 S N 0.421 115.552 115.700 -0.948 0.000 2.368 341 S HA -0.111 4.359 4.470 0.001 0.000 0.224 341 S C 1.791 176.158 174.600 -0.389 0.000 1.029 341 S CA 1.415 59.133 58.200 -0.805 0.000 0.988 341 S CB -0.764 62.347 63.200 -0.148 0.000 0.838 341 S HN 0.476 nan 8.310 nan 0.000 0.462 342 L N 0.788 121.850 121.223 -0.267 0.000 2.109 342 L HA 0.089 4.430 4.340 0.001 0.000 0.207 342 L C 2.616 179.390 176.870 -0.160 0.000 1.086 342 L CA 0.741 55.487 54.840 -0.157 0.000 0.760 342 L CB -0.812 41.177 42.059 -0.117 0.000 0.910 342 L HN 0.232 nan 8.230 nan 0.000 0.437 343 L N 0.387 121.477 121.223 -0.221 0.000 2.042 343 L HA -0.212 4.128 4.340 0.001 0.000 0.210 343 L C 2.826 179.576 176.870 -0.200 0.000 1.076 343 L CA 1.303 56.034 54.840 -0.182 0.000 0.749 343 L CB -0.678 41.267 42.059 -0.190 0.000 0.893 343 L HN 0.286 nan 8.230 nan 0.000 0.432 344 A N -0.947 121.677 122.820 -0.326 0.000 2.119 344 A HA -0.201 4.120 4.320 0.001 0.000 0.217 344 A C 2.226 179.785 177.584 -0.041 0.000 1.153 344 A CA 1.316 53.232 52.037 -0.202 0.000 0.692 344 A CB -0.396 18.538 19.000 -0.110 0.000 0.799 344 A HN 0.560 nan 8.150 nan 0.000 0.458 345 Q N 0.338 120.110 119.800 -0.046 0.000 1.946 345 Q HA -0.139 4.202 4.340 0.001 0.000 0.199 345 Q C 1.968 177.998 176.000 0.050 0.000 0.979 345 Q CA 2.015 57.822 55.803 0.007 0.000 0.834 345 Q CB -0.376 28.352 28.738 -0.016 0.000 0.899 345 Q HN 0.516 nan 8.270 nan 0.000 0.431 346 S N 0.641 116.369 115.700 0.047 0.000 2.444 346 S HA -0.181 4.290 4.470 0.001 0.000 0.244 346 S C 1.808 176.557 174.600 0.248 0.000 1.025 346 S CA 1.061 59.341 58.200 0.133 0.000 0.995 346 S CB -0.729 62.527 63.200 0.094 0.000 0.781 346 S HN 0.682 nan 8.310 nan 0.000 0.496 347 G N 1.152 110.046 108.800 0.158 0.000 2.422 347 G HA2 -0.118 3.843 3.960 0.001 0.000 0.218 347 G HA3 -0.118 3.843 3.960 0.001 0.000 0.218 347 G C 1.343 176.418 174.900 0.292 0.000 1.140 347 G CA 0.427 45.648 45.100 0.203 0.000 0.775 347 G HN 0.463 nan 8.290 nan 0.000 0.545 348 K N 0.044 120.571 120.400 0.213 0.000 2.418 348 K HA 0.027 4.348 4.320 0.001 0.000 0.195 348 K C 1.440 178.153 176.600 0.189 0.000 1.035 348 K CA 0.347 56.749 56.287 0.192 0.000 1.003 348 K CB 0.182 32.756 32.500 0.123 0.000 0.793 348 K HN 0.087 nan 8.250 nan 0.000 0.494 349 D N -0.448 120.078 120.400 0.210 0.000 2.311 349 D HA -0.171 4.470 4.640 0.001 0.000 0.212 349 D C 0.369 176.634 176.300 -0.059 0.000 0.972 349 D CA 1.307 55.339 54.000 0.052 0.000 0.887 349 D CB 0.063 40.866 40.800 0.006 0.000 0.915 349 D HN 0.353 nan 8.370 nan 0.000 0.497 350 Y N -1.817 118.596 120.300 0.189 0.000 2.527 350 Y HA 0.358 4.909 4.550 0.001 0.000 0.247 350 Y C 1.684 177.764 175.900 0.300 0.000 1.138 350 Y CA -0.102 58.164 58.100 0.276 0.000 1.228 350 Y CB 1.226 39.986 38.460 0.500 0.000 1.252 350 Y HN -0.023 nan 8.280 nan 0.000 0.531 351 G N 0.866 109.863 108.800 0.327 0.000 2.157 351 G HA2 -0.259 3.702 3.960 0.001 0.000 0.248 351 G HA3 -0.259 3.702 3.960 0.001 0.000 0.248 351 G C -0.218 174.819 174.900 0.230 0.000 0.979 351 G CA -0.063 45.181 45.100 0.241 0.000 0.650 351 G HN 0.214 nan 8.290 nan 0.000 0.529 352 L N 0.696 122.083 121.223 0.273 0.000 2.325 352 L HA 0.718 5.059 4.340 0.001 0.000 0.279 352 L C 0.165 177.171 176.870 0.228 0.000 1.054 352 L CA -0.662 54.335 54.840 0.261 0.000 0.804 352 L CB 1.896 44.145 42.059 0.317 0.000 1.200 352 L HN 0.019 nan 8.230 nan 0.000 0.436 353 T N 3.255 117.950 114.554 0.234 0.000 2.977 353 T HA 0.530 4.881 4.350 0.001 0.000 0.346 353 T C -0.163 174.613 174.700 0.127 0.000 1.140 353 T CA -0.457 61.735 62.100 0.153 0.000 1.040 353 T CB 0.578 69.518 68.868 0.120 0.000 1.046 353 T HN 0.379 nan 8.240 nan 0.000 0.494 354 M N 2.732 122.332 119.600 0.001 0.000 2.249 354 M HA 0.430 4.911 4.480 0.001 0.000 0.351 354 M C 1.204 177.454 176.300 -0.085 0.000 1.180 354 M CA -0.562 54.622 55.300 -0.194 0.000 1.127 354 M CB 1.202 33.457 32.600 -0.574 0.000 1.546 354 M HN 0.618 nan 8.290 nan 0.000 0.461 355 T N -1.165 113.365 114.554 -0.040 0.000 2.898 355 T HA 0.611 4.962 4.350 0.001 0.000 0.283 355 T C -2.366 172.332 174.700 -0.003 0.000 1.059 355 T CA -1.437 60.628 62.100 -0.059 0.000 0.958 355 T CB 0.693 69.554 68.868 -0.012 0.000 1.594 355 T HN 0.427 nan 8.240 nan 0.000 0.598 356 P HA 0.496 nan 4.420 nan 0.000 0.272 356 P C 0.387 177.759 177.300 0.121 0.000 1.408 356 P CA 0.431 63.567 63.100 0.059 0.000 0.996 356 P CB 0.331 31.955 31.700 -0.128 0.000 1.481 357 A N -0.713 122.169 122.820 0.104 0.000 3.384 357 A HA -0.230 4.090 4.320 0.001 0.000 0.260 357 A C 0.965 178.569 177.584 0.033 0.000 1.168 357 A CA 1.875 53.954 52.037 0.070 0.000 1.253 357 A CB -2.516 16.516 19.000 0.053 0.000 1.122 357 A HN 0.275 nan 8.150 nan 0.000 0.934 358 D N -1.365 119.050 120.400 0.025 0.000 2.510 358 D HA 0.287 4.928 4.640 0.001 0.000 0.234 358 D C 0.709 177.019 176.300 0.017 0.000 1.178 358 D CA 0.614 54.627 54.000 0.022 0.000 0.816 358 D CB 0.360 41.182 40.800 0.037 0.000 1.143 358 D HN 0.442 nan 8.370 nan 0.000 0.526 359 K N -0.293 120.108 120.400 0.001 0.000 3.339 359 K HA -0.158 4.163 4.320 0.001 0.000 0.299 359 K C 0.712 177.291 176.600 -0.036 0.000 1.270 359 K CA 0.577 56.853 56.287 -0.018 0.000 0.875 359 K CB -1.856 30.643 32.500 -0.001 0.000 1.298 359 K HN 0.066 nan 8.250 nan 0.000 0.485 360 S N 0.137 115.814 115.700 -0.040 0.000 2.440 360 S HA -0.082 4.389 4.470 0.001 0.000 0.238 360 S C 1.396 175.947 174.600 -0.081 0.000 1.010 360 S CA 1.228 59.405 58.200 -0.039 0.000 0.972 360 S CB -0.177 63.011 63.200 -0.019 0.000 0.774 360 S HN 0.748 nan 8.310 nan 0.000 0.501 361 A N 0.617 123.349 122.820 -0.146 0.000 2.910 361 A HA -0.201 4.120 4.320 0.001 0.000 0.267 361 A C 0.820 178.292 177.584 -0.187 0.000 1.310 361 A CA 1.352 53.284 52.037 -0.174 0.000 0.934 361 A CB -2.414 16.529 19.000 -0.094 0.000 1.057 361 A HN 0.990 nan 8.150 nan 0.000 0.742 362 T N -3.721 110.715 114.554 -0.197 0.000 3.143 362 T HA 0.589 4.940 4.350 0.001 0.000 0.312 362 T C -0.540 174.093 174.700 -0.112 0.000 0.986 362 T CA -0.552 61.469 62.100 -0.132 0.000 1.024 362 T CB 0.588 69.435 68.868 -0.035 0.000 1.030 362 T HN 0.753 nan 8.240 nan 0.000 0.448 363 F N 3.219 123.174 119.950 0.008 0.000 2.604 363 F HA 0.264 4.792 4.527 0.001 0.000 0.337 363 F C 1.364 177.177 175.800 0.022 0.000 1.294 363 F CA -0.182 57.827 58.000 0.015 0.000 1.066 363 F CB -0.141 38.858 39.000 -0.001 0.000 1.391 363 F HN 0.574 nan 8.300 nan 0.000 0.652 364 E N 1.255 121.569 120.200 0.190 0.000 2.349 364 E HA 0.132 4.482 4.350 0.001 0.000 0.265 364 E C 0.153 176.826 176.600 0.121 0.000 1.064 364 E CA -0.276 56.199 56.400 0.124 0.000 0.886 364 E CB 1.140 30.893 29.700 0.088 0.000 1.036 364 E HN 0.297 nan 8.360 nan 0.000 0.413 365 T N 1.307 115.908 114.554 0.079 0.000 2.940 365 T HA 0.116 4.467 4.350 0.001 0.000 0.309 365 T C -0.008 174.714 174.700 0.036 0.000 1.056 365 T CA -0.299 61.831 62.100 0.051 0.000 1.137 365 T CB 0.415 69.302 68.868 0.031 0.000 0.976 365 T HN 0.115 nan 8.240 nan 0.000 0.547 366 V N 4.365 124.281 119.914 0.003 0.000 2.435 366 V HA 0.641 4.761 4.120 0.001 0.000 0.290 366 V C 0.484 176.496 176.094 -0.137 0.000 1.030 366 V CA -0.841 61.429 62.300 -0.051 0.000 0.881 366 V CB 1.341 33.120 31.823 -0.073 0.000 0.983 366 V HN 1.142 nan 8.190 nan 0.000 0.445 367 T N -0.593 113.883 114.554 -0.130 0.000 2.865 367 T HA 0.383 4.734 4.350 0.001 0.000 0.294 367 T C 0.083 174.698 174.700 -0.142 0.000 1.119 367 T CA -0.698 61.298 62.100 -0.173 0.000 1.007 367 T CB 1.220 70.072 68.868 -0.027 0.000 1.225 367 T HN 0.506 nan 8.240 nan 0.000 0.515 368 W N 0.683 121.957 121.300 -0.043 0.000 2.662 368 W HA -0.008 4.653 4.660 0.001 0.000 0.249 368 W C 1.757 178.334 176.519 0.097 0.000 1.251 368 W CA -0.070 57.252 57.345 -0.038 0.000 1.277 368 W CB -0.013 29.421 29.460 -0.043 0.000 1.140 368 W HN 0.678 nan 8.180 nan 0.000 0.645 369 E N -0.194 120.180 120.200 0.289 0.000 2.132 369 E HA -0.087 4.263 4.350 0.001 0.000 0.193 369 E C 1.732 178.550 176.600 0.363 0.000 0.951 369 E CA 1.173 57.745 56.400 0.287 0.000 0.843 369 E CB -0.792 29.019 29.700 0.184 0.000 0.807 369 E HN 0.435 nan 8.360 nan 0.000 0.467 370 N N 0.643 119.503 118.700 0.268 0.000 2.392 370 N HA -0.027 4.714 4.740 0.001 0.000 0.177 370 N C 0.781 176.406 175.510 0.192 0.000 1.066 370 N CA -0.053 53.182 53.050 0.307 0.000 0.895 370 N CB -0.170 38.430 38.487 0.189 0.000 0.988 370 N HN -0.095 nan 8.380 nan 0.000 0.457 371 V N 1.723 121.700 119.914 0.105 0.000 2.673 371 V HA 0.225 4.345 4.120 0.001 0.000 0.303 371 V C -0.032 176.072 176.094 0.017 0.000 1.046 371 V CA 0.473 62.768 62.300 -0.008 0.000 1.126 371 V CB 0.389 32.107 31.823 -0.176 0.000 0.934 371 V HN 0.661 nan 8.190 nan 0.000 0.487 372 T N 4.537 119.062 114.554 -0.049 0.000 2.893 372 T HA 0.662 5.013 4.350 0.001 0.000 0.293 372 T C -1.072 173.780 174.700 0.253 0.000 1.027 372 T CA -0.586 61.493 62.100 -0.035 0.000 0.988 372 T CB 1.636 70.278 68.868 -0.377 0.000 1.043 372 T HN 0.603 nan 8.240 nan 0.000 0.461 373 F N 4.304 124.378 119.950 0.207 0.000 2.557 373 F HA 0.554 5.082 4.527 0.001 0.000 0.316 373 F C 0.277 176.244 175.800 0.278 0.000 1.141 373 F CA -2.292 55.831 58.000 0.204 0.000 0.922 373 F CB 0.996 40.116 39.000 0.200 0.000 1.194 373 F HN 0.797 nan 8.300 nan 0.000 0.443 374 L N 6.193 127.311 121.223 -0.175 0.000 3.843 374 L HA -0.379 3.962 4.340 0.001 0.000 0.411 374 L C 0.908 177.705 176.870 -0.123 0.000 1.205 374 L CA 1.016 55.702 54.840 -0.257 0.000 0.945 374 L CB -1.513 40.319 42.059 -0.378 0.000 1.929 374 L HN 0.932 nan 8.230 nan 0.000 0.934 375 K N -2.260 118.108 120.400 -0.053 0.000 3.553 375 K HA -0.157 4.164 4.320 0.001 0.000 0.303 375 K C 0.433 177.003 176.600 -0.051 0.000 1.327 375 K CA 1.680 57.932 56.287 -0.059 0.000 0.983 375 K CB -0.413 32.042 32.500 -0.074 0.000 1.275 375 K HN 0.547 nan 8.250 nan 0.000 0.453 376 R N -0.229 120.267 120.500 -0.006 0.000 2.664 376 R HA 0.521 4.862 4.340 0.001 0.000 0.286 376 R C -0.164 176.176 176.300 0.066 0.000 0.967 376 R CA -0.705 55.406 56.100 0.019 0.000 0.933 376 R CB 0.715 30.926 30.300 -0.148 0.000 1.146 376 R HN -0.148 nan 8.270 nan 0.000 0.468 377 F N 0.793 120.820 119.950 0.130 0.000 2.380 377 F HA 0.440 4.968 4.527 0.001 0.000 0.319 377 F C 0.046 175.990 175.800 0.240 0.000 1.113 377 F CA -0.311 57.846 58.000 0.262 0.000 1.056 377 F CB 0.658 39.764 39.000 0.177 0.000 1.289 377 F HN 0.234 nan 8.300 nan 0.000 0.515 378 F N 1.198 121.459 119.950 0.518 0.000 2.495 378 F HA 0.686 5.214 4.527 0.001 0.000 0.327 378 F C -0.313 175.650 175.800 0.273 0.000 1.103 378 F CA -0.950 57.289 58.000 0.399 0.000 0.949 378 F CB 1.401 40.536 39.000 0.225 0.000 1.142 378 F HN 0.063 nan 8.300 nan 0.000 0.457 379 R N 1.833 122.541 120.500 0.346 0.000 2.508 379 R HA 0.559 4.900 4.340 0.001 0.000 0.283 379 R C -0.843 175.588 176.300 0.219 0.000 1.120 379 R CA -1.027 55.212 56.100 0.231 0.000 0.958 379 R CB 1.611 32.008 30.300 0.161 0.000 1.215 379 R HN 0.762 nan 8.270 nan 0.000 0.427 380 A N 1.729 124.639 122.820 0.149 0.000 2.406 380 A HA 0.136 4.457 4.320 0.001 0.000 0.243 380 A C 0.019 177.735 177.584 0.220 0.000 1.082 380 A CA -0.060 52.054 52.037 0.128 0.000 0.786 380 A CB 0.190 19.223 19.000 0.056 0.000 1.029 380 A HN 0.645 nan 8.150 nan 0.000 0.495 381 D N -0.051 120.490 120.400 0.236 0.000 2.350 381 D HA 0.222 4.863 4.640 0.001 0.000 0.249 381 D C 0.979 177.403 176.300 0.207 0.000 1.119 381 D CA 0.156 54.368 54.000 0.354 0.000 0.886 381 D CB 0.666 41.732 40.800 0.443 0.000 1.195 381 D HN 0.566 nan 8.370 nan 0.000 0.437 382 E N 1.811 122.127 120.200 0.192 0.000 2.153 382 E HA -0.182 4.169 4.350 0.001 0.000 0.194 382 E C 1.243 177.874 176.600 0.052 0.000 0.988 382 E CA 0.934 57.392 56.400 0.096 0.000 0.811 382 E CB 0.226 29.966 29.700 0.067 0.000 0.746 382 E HN 0.289 nan 8.360 nan 0.000 0.466 383 K N -0.013 120.439 120.400 0.087 0.000 1.995 383 K HA 0.003 4.323 4.320 0.001 0.000 0.207 383 K C 0.011 176.408 176.600 -0.338 0.000 1.041 383 K CA 0.951 57.158 56.287 -0.133 0.000 0.942 383 K CB -0.011 32.424 32.500 -0.109 0.000 0.731 383 K HN 0.046 nan 8.250 nan 0.000 0.439 384 Y N 0.620 120.871 120.300 -0.082 0.000 2.700 384 Y HA 0.243 4.793 4.550 0.001 0.000 0.333 384 Y C -1.954 173.631 175.900 -0.525 0.000 1.036 384 Y CA -2.641 55.186 58.100 -0.454 0.000 1.287 384 Y CB 1.050 39.071 38.460 -0.731 0.000 1.132 384 Y HN 0.176 nan 8.280 nan 0.000 0.510 385 P HA -0.095 nan 4.420 nan 0.000 0.233 385 P C 0.808 178.089 177.300 -0.031 0.000 1.167 385 P CA 0.842 63.916 63.100 -0.042 0.000 0.770 385 P CB -0.147 31.578 31.700 0.043 0.000 0.837 386 F N -2.130 117.807 119.950 -0.023 0.000 2.811 386 F HA 0.265 4.793 4.527 0.001 0.000 0.301 386 F C 0.400 176.102 175.800 -0.164 0.000 1.151 386 F CA -0.412 57.533 58.000 -0.092 0.000 1.412 386 F CB -0.937 38.002 39.000 -0.101 0.000 1.113 386 F HN -0.278 nan 8.300 nan 0.000 0.579 387 L N 2.802 123.761 121.223 -0.440 0.000 2.307 387 L HA 0.459 4.800 4.340 0.001 0.000 0.284 387 L C -0.374 176.466 176.870 -0.050 0.000 1.023 387 L CA -0.733 53.832 54.840 -0.458 0.000 0.810 387 L CB 1.952 43.471 42.059 -0.901 0.000 1.231 387 L HN 0.001 nan 8.230 nan 0.000 0.423 388 I N 2.760 123.395 120.570 0.109 0.000 2.389 388 I HA 0.275 4.446 4.170 0.001 0.000 0.288 388 I C 0.100 176.389 176.117 0.286 0.000 0.999 388 I CA -0.578 60.854 61.300 0.219 0.000 1.129 388 I CB 1.335 39.469 38.000 0.223 0.000 1.288 388 I HN 0.508 nan 8.210 nan 0.000 0.444 389 H N 6.913 126.063 119.070 0.134 0.000 2.764 389 H HA 0.165 4.722 4.556 0.001 0.000 0.341 389 H C -2.142 172.963 175.328 -0.372 0.000 1.072 389 H CA -1.281 54.533 56.048 -0.390 0.000 1.444 389 H CB 0.710 30.158 29.762 -0.523 0.000 1.458 389 H HN 0.212 nan 8.280 nan 0.000 0.572 390 P HA 0.010 nan 4.420 nan 0.000 0.286 390 P C -0.284 176.643 177.300 -0.623 0.000 1.321 390 P CA -0.389 62.048 63.100 -1.105 0.000 0.790 390 P CB 0.550 31.312 31.700 -1.563 0.000 0.897 391 V N 3.365 123.133 119.914 -0.243 0.000 2.311 391 V HA 0.543 4.664 4.120 0.001 0.000 0.275 391 V C -0.159 175.935 176.094 -0.000 0.000 1.022 391 V CA -1.025 61.199 62.300 -0.127 0.000 0.830 391 V CB 0.825 32.593 31.823 -0.092 0.000 1.012 391 V HN 0.369 nan 8.190 nan 0.000 0.452 392 M N 9.073 128.610 119.600 -0.104 0.000 2.200 392 M HA 0.554 5.035 4.480 0.001 0.000 0.355 392 M C -2.428 173.833 176.300 -0.065 0.000 1.283 392 M CA -0.982 54.279 55.300 -0.066 0.000 1.124 392 M CB 0.795 33.309 32.600 -0.143 0.000 1.625 392 M HN 0.451 nan 8.290 nan 0.000 0.463 393 P HA 0.018 nan 4.420 nan 0.000 0.266 393 P C 0.428 177.620 177.300 -0.180 0.000 1.195 393 P CA -0.056 63.007 63.100 -0.062 0.000 0.768 393 P CB 0.486 32.204 31.700 0.030 0.000 0.838 394 M N 2.354 121.795 119.600 -0.265 0.000 2.358 394 M HA -0.145 4.336 4.480 0.001 0.000 0.264 394 M C 1.772 177.730 176.300 -0.569 0.000 1.064 394 M CA 1.625 56.624 55.300 -0.501 0.000 1.093 394 M CB -1.095 31.172 32.600 -0.555 0.000 1.401 394 M HN 0.439 nan 8.290 nan 0.000 0.440 395 K N 0.587 120.832 120.400 -0.258 0.000 2.103 395 K HA -0.179 4.142 4.320 0.001 0.000 0.207 395 K C 1.727 178.290 176.600 -0.062 0.000 1.048 395 K CA 1.239 57.475 56.287 -0.084 0.000 0.930 395 K CB 0.175 32.678 32.500 0.006 0.000 0.716 395 K HN 0.220 nan 8.250 nan 0.000 0.444 396 E N 0.776 120.921 120.200 -0.092 0.000 2.047 396 E HA -0.173 4.178 4.350 0.001 0.000 0.191 396 E C 2.151 178.700 176.600 -0.086 0.000 0.987 396 E CA 1.213 57.575 56.400 -0.064 0.000 0.799 396 E CB -0.199 29.462 29.700 -0.066 0.000 0.752 396 E HN 0.439 nan 8.360 nan 0.000 0.449 397 I N 0.555 121.014 120.570 -0.185 0.000 2.286 397 I HA -0.270 3.901 4.170 0.001 0.000 0.248 397 I C 2.315 178.344 176.117 -0.146 0.000 1.115 397 I CA 1.110 62.285 61.300 -0.208 0.000 1.392 397 I CB -0.363 37.407 38.000 -0.383 0.000 1.065 397 I HN 0.196 nan 8.210 nan 0.000 0.418 398 H N 0.325 119.289 119.070 -0.177 0.000 2.319 398 H HA -0.166 4.391 4.556 0.001 0.000 0.299 398 H C 2.210 177.456 175.328 -0.137 0.000 1.092 398 H CA 1.042 56.964 56.048 -0.210 0.000 1.302 398 H CB 0.115 29.874 29.762 -0.005 0.000 1.373 398 H HN 0.266 nan 8.280 nan 0.000 0.497 399 E N 0.375 120.634 120.200 0.098 0.000 2.070 399 E HA -0.194 4.157 4.350 0.001 0.000 0.197 399 E C 2.425 179.128 176.600 0.172 0.000 1.004 399 E CA 1.207 57.681 56.400 0.123 0.000 0.805 399 E CB -0.390 29.370 29.700 0.101 0.000 0.744 399 E HN 0.295 nan 8.360 nan 0.000 0.451 400 S N 0.520 116.291 115.700 0.117 0.000 2.402 400 S HA -0.081 4.390 4.470 0.001 0.000 0.229 400 S C 2.000 176.754 174.600 0.256 0.000 1.021 400 S CA 0.486 58.804 58.200 0.198 0.000 0.974 400 S CB -0.106 63.194 63.200 0.167 0.000 0.800 400 S HN 0.261 nan 8.310 nan 0.000 0.484 401 I N 0.933 121.504 120.570 0.002 0.000 2.617 401 I HA 0.018 4.188 4.170 0.001 0.000 0.256 401 I C 2.070 178.169 176.117 -0.030 0.000 1.167 401 I CA 0.590 61.768 61.300 -0.203 0.000 1.469 401 I CB -0.067 37.621 38.000 -0.521 0.000 1.098 401 I HN 0.266 nan 8.210 nan 0.000 0.436 402 R N -0.363 120.120 120.500 -0.028 0.000 2.316 402 R HA -0.043 4.298 4.340 0.001 0.000 0.202 402 R C -0.474 175.648 176.300 -0.297 0.000 1.029 402 R CA 0.558 56.520 56.100 -0.231 0.000 1.018 402 R CB -0.107 29.884 30.300 -0.514 0.000 0.888 402 R HN 0.260 nan 8.270 nan 0.000 0.471 403 W N -0.940 120.442 121.300 0.136 0.000 2.967 403 W HA 0.487 5.148 4.660 0.001 0.000 0.342 403 W C -0.053 176.590 176.519 0.206 0.000 1.162 403 W CA -0.705 56.741 57.345 0.168 0.000 1.085 403 W CB 1.242 30.772 29.460 0.117 0.000 1.460 403 W HN -0.365 nan 8.180 nan 0.000 0.584 404 T N -0.627 114.197 114.554 0.450 0.000 2.886 404 T HA 0.279 4.630 4.350 0.001 0.000 0.330 404 T C -0.261 174.554 174.700 0.193 0.000 1.488 404 T CA -0.655 61.618 62.100 0.288 0.000 1.054 404 T CB 1.546 70.569 68.868 0.257 0.000 1.348 404 T HN 0.529 nan 8.240 nan 0.000 0.489 405 K N 0.879 121.342 120.400 0.105 0.000 2.348 405 K HA 0.233 4.553 4.320 0.001 0.000 0.194 405 K C -0.472 176.161 176.600 0.055 0.000 1.052 405 K CA -0.034 56.288 56.287 0.060 0.000 1.004 405 K CB 0.458 32.964 32.500 0.009 0.000 0.873 405 K HN 0.521 nan 8.250 nan 0.000 0.523 406 D N -0.382 120.057 120.400 0.066 0.000 2.369 406 D HA 0.115 4.755 4.640 0.001 0.000 0.212 406 D C -2.527 173.816 176.300 0.072 0.000 1.326 406 D CA -1.500 52.533 54.000 0.055 0.000 0.933 406 D CB 1.701 42.521 40.800 0.034 0.000 1.516 406 D HN -0.277 nan 8.370 nan 0.000 0.557 407 P HA -0.079 nan 4.420 nan 0.000 0.220 407 P C 1.410 178.751 177.300 0.068 0.000 1.144 407 P CA 0.676 63.822 63.100 0.077 0.000 0.800 407 P CB 0.271 32.003 31.700 0.052 0.000 0.772 408 R N -0.484 120.048 120.500 0.052 0.000 2.154 408 R HA -0.115 4.226 4.340 0.001 0.000 0.248 408 R C 0.845 177.179 176.300 0.057 0.000 1.155 408 R CA 1.137 57.264 56.100 0.045 0.000 0.979 408 R CB -0.702 29.617 30.300 0.033 0.000 0.869 408 R HN 0.351 nan 8.270 nan 0.000 0.452 409 N N 0.200 118.943 118.700 0.073 0.000 2.327 409 N HA 0.023 4.764 4.740 0.001 0.000 0.231 409 N C 0.529 176.123 175.510 0.140 0.000 1.130 409 N CA 0.240 53.343 53.050 0.087 0.000 0.845 409 N CB 0.802 39.331 38.487 0.070 0.000 1.073 409 N HN 0.131 nan 8.380 nan 0.000 0.496 410 T N 0.631 115.268 114.554 0.138 0.000 2.821 410 T HA -0.184 4.167 4.350 0.001 0.000 0.267 410 T C 1.986 176.770 174.700 0.140 0.000 1.046 410 T CA 1.220 63.424 62.100 0.174 0.000 1.139 410 T CB 0.114 69.087 68.868 0.174 0.000 0.871 410 T HN 0.288 nan 8.240 nan 0.000 0.454 411 Q N 1.496 121.358 119.800 0.105 0.000 2.016 411 Q HA -0.134 4.206 4.340 0.001 0.000 0.200 411 Q C 1.704 177.750 176.000 0.076 0.000 0.978 411 Q CA 1.835 57.683 55.803 0.076 0.000 0.833 411 Q CB -0.433 28.339 28.738 0.058 0.000 0.895 411 Q HN 0.320 nan 8.270 nan 0.000 0.427 412 D N -0.799 119.652 120.400 0.086 0.000 2.117 412 D HA -0.165 4.475 4.640 0.001 0.000 0.197 412 D C 1.667 178.047 176.300 0.133 0.000 0.987 412 D CA 1.517 55.567 54.000 0.083 0.000 0.829 412 D CB -0.428 40.410 40.800 0.062 0.000 0.961 412 D HN 0.562 nan 8.370 nan 0.000 0.460 413 H N 0.210 119.298 119.070 0.030 0.000 2.253 413 H HA -0.114 4.443 4.556 0.001 0.000 0.296 413 H C 2.030 177.368 175.328 0.018 0.000 1.067 413 H CA 1.556 57.620 56.048 0.027 0.000 1.245 413 H CB -0.030 29.759 29.762 0.045 0.000 1.364 413 H HN -0.100 nan 8.280 nan 0.000 0.494 414 V N 1.231 121.125 119.914 -0.033 0.000 2.282 414 V HA -0.327 3.794 4.120 0.001 0.000 0.249 414 V C 2.674 178.774 176.094 0.009 0.000 1.057 414 V CA 2.373 64.581 62.300 -0.153 0.000 1.032 414 V CB -0.763 30.911 31.823 -0.249 0.000 0.645 414 V HN 0.473 nan 8.190 nan 0.000 0.447 415 R N 0.403 120.928 120.500 0.042 0.000 2.096 415 R HA -0.148 4.193 4.340 0.001 0.000 0.235 415 R C 2.325 178.674 176.300 0.082 0.000 1.127 415 R CA 2.089 58.229 56.100 0.068 0.000 0.968 415 R CB -0.667 29.663 30.300 0.049 0.000 0.861 415 R HN 0.419 nan 8.270 nan 0.000 0.440 416 S N 0.636 116.387 115.700 0.085 0.000 2.383 416 S HA -0.066 4.405 4.470 0.001 0.000 0.229 416 S C 1.715 176.359 174.600 0.073 0.000 1.030 416 S CA 1.447 59.691 58.200 0.073 0.000 1.002 416 S CB -0.211 63.036 63.200 0.078 0.000 0.829 416 S HN 0.327 nan 8.310 nan 0.000 0.467 417 L N 0.390 121.673 121.223 0.099 0.000 2.201 417 L HA -0.109 4.232 4.340 0.001 0.000 0.212 417 L C 2.400 179.318 176.870 0.080 0.000 1.105 417 L CA 0.512 55.388 54.840 0.060 0.000 0.775 417 L CB -0.642 41.453 42.059 0.059 0.000 0.913 417 L HN 0.429 nan 8.230 nan 0.000 0.440 418 C N 0.064 119.487 119.300 0.205 0.000 2.429 418 C HA -0.130 4.331 4.460 0.001 0.000 0.277 418 C C 2.528 177.613 174.990 0.158 0.000 1.262 418 C CA 0.422 59.631 59.018 0.318 0.000 1.733 418 C CB -0.744 27.215 27.740 0.365 0.000 2.010 418 C HN 0.447 nan 8.230 nan 0.000 0.483 419 L N 0.063 121.338 121.223 0.087 0.000 2.549 419 L HA -0.045 4.296 4.340 0.001 0.000 0.229 419 L C 2.107 178.996 176.870 0.031 0.000 1.158 419 L CA 0.784 55.675 54.840 0.083 0.000 0.842 419 L CB -0.590 41.494 42.059 0.041 0.000 0.952 419 L HN 0.444 nan 8.230 nan 0.000 0.452 420 L N -0.688 120.515 121.223 -0.034 0.000 2.316 420 L HA 0.129 4.470 4.340 0.001 0.000 0.207 420 L C 2.533 179.267 176.870 -0.227 0.000 1.070 420 L CA 0.592 55.356 54.840 -0.127 0.000 0.820 420 L CB -0.132 41.854 42.059 -0.122 0.000 0.992 420 L HN 0.177 nan 8.230 nan 0.000 0.466 421 A N -0.139 122.561 122.820 -0.199 0.000 2.147 421 A HA -0.108 4.213 4.320 0.001 0.000 0.211 421 A C 1.928 179.409 177.584 -0.170 0.000 1.160 421 A CA -0.018 51.869 52.037 -0.250 0.000 0.781 421 A CB -0.481 18.256 19.000 -0.438 0.000 0.842 421 A HN 0.674 nan 8.150 nan 0.000 0.475 422 W N -0.488 120.550 121.300 -0.436 0.000 2.678 422 W HA -0.051 4.610 4.660 0.001 0.000 0.256 422 W C 0.875 177.107 176.519 -0.479 0.000 1.280 422 W CA 0.938 57.928 57.345 -0.591 0.000 1.345 422 W CB -0.848 27.927 29.460 -1.141 0.000 1.118 422 W HN 0.425 nan 8.180 nan 0.000 0.629 423 H N 1.332 119.678 119.070 -1.207 0.000 2.491 423 H HA -0.063 4.494 4.556 0.001 0.000 0.290 423 H C 1.677 176.577 175.328 -0.713 0.000 1.050 423 H CA 1.106 56.399 56.048 -1.259 0.000 1.309 423 H CB -0.509 28.651 29.762 -1.003 0.000 1.392 423 H HN 0.292 nan 8.280 nan 0.000 0.554 424 N N 0.532 119.033 118.700 -0.333 0.000 2.453 424 N HA -0.037 4.704 4.740 0.001 0.000 0.183 424 N C 0.595 176.022 175.510 -0.139 0.000 1.041 424 N CA 1.024 53.951 53.050 -0.205 0.000 0.900 424 N CB 0.515 38.912 38.487 -0.150 0.000 0.961 424 N HN 0.426 nan 8.380 nan 0.000 0.443 425 G N 0.951 109.707 108.800 -0.073 0.000 2.906 425 G HA2 -0.156 3.805 3.960 0.001 0.000 0.686 425 G HA3 -0.156 3.805 3.960 0.001 0.000 0.686 425 G C 0.323 175.282 174.900 0.097 0.000 1.170 425 G CA -0.111 45.003 45.100 0.024 0.000 0.775 425 G HN 0.150 nan 8.290 nan 0.000 0.630 426 E N 0.132 120.198 120.200 -0.223 0.000 2.164 426 E HA -0.309 4.041 4.350 0.001 0.000 0.206 426 E C 1.936 178.439 176.600 -0.161 0.000 1.032 426 E CA 2.214 58.214 56.400 -0.666 0.000 0.832 426 E CB 0.014 28.904 29.700 -1.349 0.000 0.742 426 E HN 0.718 nan 8.360 nan 0.000 0.460 427 E N -0.204 119.918 120.200 -0.130 0.000 2.072 427 E HA -0.218 4.132 4.350 0.001 0.000 0.191 427 E C 2.038 178.647 176.600 0.015 0.000 0.985 427 E CA 0.993 57.359 56.400 -0.056 0.000 0.801 427 E CB 0.045 29.709 29.700 -0.060 0.000 0.750 427 E HN 0.218 nan 8.360 nan 0.000 0.452 428 E N -0.274 119.952 120.200 0.044 0.000 2.112 428 E HA -0.143 4.208 4.350 0.001 0.000 0.190 428 E C 1.795 178.505 176.600 0.183 0.000 0.979 428 E CA 0.552 57.002 56.400 0.083 0.000 0.814 428 E CB -0.240 29.482 29.700 0.037 0.000 0.762 428 E HN 0.381 nan 8.360 nan 0.000 0.460 429 Y N 2.326 122.692 120.300 0.109 0.000 2.200 429 Y HA -0.149 4.402 4.550 0.001 0.000 0.290 429 Y C 1.836 177.876 175.900 0.233 0.000 1.137 429 Y CA 1.505 59.732 58.100 0.213 0.000 1.163 429 Y CB -0.241 38.420 38.460 0.335 0.000 0.988 429 Y HN 0.015 nan 8.280 nan 0.000 0.518 430 N N 0.578 119.322 118.700 0.074 0.000 2.244 430 N HA -0.172 4.569 4.740 0.001 0.000 0.183 430 N C 1.876 177.363 175.510 -0.038 0.000 1.016 430 N CA 1.215 54.232 53.050 -0.055 0.000 0.866 430 N CB -0.391 38.091 38.487 -0.008 0.000 0.980 430 N HN 0.411 nan 8.380 nan 0.000 0.430 431 K N -0.039 120.382 120.400 0.036 0.000 2.147 431 K HA -0.135 4.185 4.320 0.001 0.000 0.205 431 K C 1.847 178.506 176.600 0.097 0.000 1.049 431 K CA 0.764 57.083 56.287 0.052 0.000 0.936 431 K CB -0.148 32.402 32.500 0.082 0.000 0.722 431 K HN 0.060 nan 8.250 nan 0.000 0.446 432 F N 1.664 121.599 119.950 -0.024 0.000 2.098 432 F HA -0.078 4.450 4.527 0.001 0.000 0.294 432 F C 1.711 177.470 175.800 -0.068 0.000 1.107 432 F CA 1.143 59.162 58.000 0.032 0.000 1.234 432 F CB -0.305 38.718 39.000 0.040 0.000 1.002 432 F HN -0.087 nan 8.300 nan 0.000 0.472 433 L N -0.115 120.938 121.223 -0.283 0.000 2.265 433 L HA -0.180 4.161 4.340 0.001 0.000 0.215 433 L C 2.566 179.299 176.870 -0.228 0.000 1.117 433 L CA 0.881 55.508 54.840 -0.355 0.000 0.782 433 L CB -1.243 40.616 42.059 -0.335 0.000 0.914 433 L HN 0.288 nan 8.230 nan 0.000 0.441 434 A N 0.301 123.025 122.820 -0.160 0.000 1.855 434 A HA -0.119 4.202 4.320 0.001 0.000 0.213 434 A C 2.341 179.844 177.584 -0.134 0.000 1.195 434 A CA 0.943 52.910 52.037 -0.117 0.000 0.610 434 A CB -0.198 18.752 19.000 -0.083 0.000 0.837 434 A HN 0.217 nan 8.150 nan 0.000 0.444 435 K N -0.295 120.002 120.400 -0.171 0.000 2.103 435 K HA -0.086 4.235 4.320 0.001 0.000 0.207 435 K C 1.844 178.325 176.600 -0.197 0.000 1.048 435 K CA 1.438 57.568 56.287 -0.262 0.000 0.930 435 K CB -0.438 31.783 32.500 -0.466 0.000 0.716 435 K HN 0.520 nan 8.250 nan 0.000 0.444 436 I N 0.922 121.381 120.570 -0.185 0.000 2.226 436 I HA -0.252 3.918 4.170 0.001 0.000 0.245 436 I C 2.175 178.347 176.117 0.092 0.000 1.100 436 I CA 1.286 62.540 61.300 -0.078 0.000 1.374 436 I CB -0.098 37.638 38.000 -0.441 0.000 1.057 436 I HN 0.100 nan 8.210 nan 0.000 0.413 437 R N 0.221 120.698 120.500 -0.039 0.000 2.313 437 R HA -0.011 4.330 4.340 0.001 0.000 0.199 437 R C 1.977 178.266 176.300 -0.018 0.000 0.958 437 R CA 0.827 56.918 56.100 -0.015 0.000 1.047 437 R CB -0.158 30.111 30.300 -0.051 0.000 0.955 437 R HN 0.377 nan 8.270 nan 0.000 0.481 438 S N -0.131 115.550 115.700 -0.031 0.000 2.660 438 S HA 0.016 4.487 4.470 0.001 0.000 0.223 438 S C 0.680 175.255 174.600 -0.042 0.000 0.963 438 S CA -0.211 57.958 58.200 -0.051 0.000 0.932 438 S CB -0.331 62.815 63.200 -0.090 0.000 0.775 438 S HN 0.099 nan 8.310 nan 0.000 0.531 439 V N -4.121 115.780 119.914 -0.021 0.000 2.925 439 V HA 0.605 4.726 4.120 0.001 0.000 0.311 439 V C -2.484 173.574 176.094 -0.060 0.000 1.104 439 V CA -2.358 59.901 62.300 -0.068 0.000 0.954 439 V CB 1.503 33.231 31.823 -0.159 0.000 1.022 439 V HN -0.138 nan 8.190 nan 0.000 0.427 440 P HA -0.078 nan 4.420 nan 0.000 0.216 440 P C 1.681 178.954 177.300 -0.045 0.000 1.153 440 P CA 1.564 64.633 63.100 -0.052 0.000 0.858 440 P CB 0.236 31.902 31.700 -0.057 0.000 0.789 441 I N -1.042 119.478 120.570 -0.083 0.000 2.315 441 I HA -0.130 4.040 4.170 0.001 0.000 0.248 441 I C 2.359 178.500 176.117 0.040 0.000 1.117 441 I CA 1.607 62.873 61.300 -0.057 0.000 1.404 441 I CB -1.074 36.843 38.000 -0.139 0.000 1.071 441 I HN 0.027 nan 8.210 nan 0.000 0.419 442 G N 1.089 109.941 108.800 0.086 0.000 2.485 442 G HA2 -0.247 3.714 3.960 0.001 0.000 0.221 442 G HA3 -0.247 3.714 3.960 0.001 0.000 0.221 442 G C 1.571 176.526 174.900 0.092 0.000 1.115 442 G CA 0.386 45.631 45.100 0.241 0.000 0.751 442 G HN 0.412 nan 8.290 nan 0.000 0.567 443 R N 0.147 120.671 120.500 0.040 0.000 2.334 443 R HA 0.418 4.759 4.340 0.001 0.000 0.220 443 R C 1.970 178.278 176.300 0.014 0.000 0.917 443 R CA 0.445 56.553 56.100 0.014 0.000 1.073 443 R CB 0.296 30.595 30.300 -0.002 0.000 1.056 443 R HN 0.301 nan 8.270 nan 0.000 0.506 444 A N 0.811 123.647 122.820 0.026 0.000 2.229 444 A HA 0.241 4.562 4.320 0.001 0.000 0.211 444 A C 0.799 178.401 177.584 0.029 0.000 1.193 444 A CA -0.183 51.867 52.037 0.022 0.000 0.879 444 A CB 0.351 19.363 19.000 0.019 0.000 0.911 444 A HN 0.078 nan 8.150 nan 0.000 0.492 445 L N 0.805 122.053 121.223 0.041 0.000 2.417 445 L HA 0.282 4.623 4.340 0.001 0.000 0.268 445 L C -0.458 176.423 176.870 0.019 0.000 1.158 445 L CA -0.558 54.304 54.840 0.037 0.000 0.819 445 L CB 0.468 42.555 42.059 0.047 0.000 1.112 445 L HN 0.086 nan 8.230 nan 0.000 0.458 446 D N 3.394 123.805 120.400 0.018 0.000 2.396 446 D HA 0.427 5.068 4.640 0.001 0.000 0.225 446 D C -0.743 175.566 176.300 0.016 0.000 1.121 446 D CA -0.122 53.887 54.000 0.014 0.000 0.853 446 D CB 0.570 41.378 40.800 0.014 0.000 1.043 446 D HN 0.259 nan 8.370 nan 0.000 0.500 447 L N 4.518 125.750 121.223 0.015 0.000 2.334 447 L HA 0.593 4.934 4.340 0.001 0.000 0.273 447 L C -1.981 174.922 176.870 0.055 0.000 1.013 447 L CA -1.904 52.956 54.840 0.034 0.000 0.816 447 L CB 1.718 43.781 42.059 0.007 0.000 1.278 447 L HN 0.274 nan 8.230 nan 0.000 0.431 448 P HA 0.299 nan 4.420 nan 0.000 0.286 448 P C -0.931 176.456 177.300 0.146 0.000 1.261 448 P CA -0.643 62.492 63.100 0.058 0.000 0.821 448 P CB 1.170 32.855 31.700 -0.024 0.000 1.013 449 E N 1.023 121.280 120.200 0.095 0.000 2.354 449 E HA 0.009 4.360 4.350 0.001 0.000 0.269 449 E C 0.906 177.590 176.600 0.140 0.000 1.036 449 E CA -0.295 56.210 56.400 0.175 0.000 0.876 449 E CB 0.368 30.133 29.700 0.109 0.000 1.009 449 E HN 0.492 nan 8.360 nan 0.000 0.416 450 Y N 3.198 123.611 120.300 0.187 0.000 2.062 450 Y HA -0.409 4.142 4.550 0.001 0.000 0.273 450 Y C 2.325 178.137 175.900 -0.146 0.000 1.206 450 Y CA 2.889 60.955 58.100 -0.056 0.000 1.125 450 Y CB -0.186 38.353 38.460 0.132 0.000 0.951 450 Y HN 0.603 nan 8.280 nan 0.000 0.501 451 S N -1.815 114.020 115.700 0.224 0.000 2.419 451 S HA -0.220 4.251 4.470 0.001 0.000 0.235 451 S C 1.744 176.335 174.600 -0.014 0.000 1.019 451 S CA 1.693 59.992 58.200 0.165 0.000 0.982 451 S CB -1.064 62.236 63.200 0.167 0.000 0.789 451 S HN 0.578 nan 8.310 nan 0.000 0.490 452 T N 2.883 117.372 114.554 -0.108 0.000 2.851 452 T HA 0.219 4.570 4.350 0.001 0.000 0.262 452 T C 1.791 176.298 174.700 -0.321 0.000 1.043 452 T CA 1.091 63.098 62.100 -0.154 0.000 1.140 452 T CB -0.484 68.315 68.868 -0.115 0.000 0.872 452 T HN 0.293 nan 8.240 nan 0.000 0.446 453 L N -0.278 120.578 121.223 -0.611 0.000 2.017 453 L HA -0.109 4.232 4.340 0.001 0.000 0.208 453 L C 2.474 178.677 176.870 -1.110 0.000 1.073 453 L CA 1.596 55.794 54.840 -1.071 0.000 0.745 453 L CB -0.668 40.203 42.059 -1.980 0.000 0.894 453 L HN 0.191 nan 8.230 nan 0.000 0.432 454 Y N 0.774 120.314 120.300 -1.266 0.000 2.114 454 Y HA -0.255 4.296 4.550 0.001 0.000 0.284 454 Y C 2.848 178.711 175.900 -0.062 0.000 1.143 454 Y CA 1.520 59.281 58.100 -0.566 0.000 1.135 454 Y CB -0.260 38.028 38.460 -0.285 0.000 0.980 454 Y HN -0.043 nan 8.280 nan 0.000 0.499 455 R N 0.926 121.362 120.500 -0.106 0.000 2.127 455 R HA -0.165 4.176 4.340 0.001 0.000 0.238 455 R C 2.383 178.627 176.300 -0.092 0.000 1.134 455 R CA 1.700 57.739 56.100 -0.102 0.000 0.975 455 R CB -0.685 29.595 30.300 -0.033 0.000 0.865 455 R HN 0.451 nan 8.270 nan 0.000 0.447 456 R N -1.236 119.207 120.500 -0.096 0.000 2.062 456 R HA -0.123 4.218 4.340 0.001 0.000 0.229 456 R C 1.919 178.261 176.300 0.069 0.000 1.128 456 R CA 1.491 57.564 56.100 -0.044 0.000 0.960 456 R CB -0.714 29.535 30.300 -0.085 0.000 0.855 456 R HN 0.195 nan 8.270 nan 0.000 0.432 457 W N 1.437 122.698 121.300 -0.065 0.000 2.277 457 W HA -0.286 4.375 4.660 0.001 0.000 0.330 457 W C 1.693 178.262 176.519 0.084 0.000 1.263 457 W CA 2.256 59.664 57.345 0.105 0.000 1.211 457 W CB -0.999 28.686 29.460 0.374 0.000 1.167 457 W HN 0.127 nan 8.180 nan 0.000 0.459 458 L N 0.086 121.346 121.223 0.062 0.000 2.030 458 L HA -0.356 3.985 4.340 0.001 0.000 0.222 458 L C 2.134 178.960 176.870 -0.074 0.000 1.082 458 L CA 2.190 56.926 54.840 -0.172 0.000 0.785 458 L CB -1.411 40.427 42.059 -0.368 0.000 0.895 458 L HN 0.030 nan 8.230 nan 0.000 0.439 459 D N -0.231 120.126 120.400 -0.072 0.000 2.182 459 D HA -0.146 4.494 4.640 0.001 0.000 0.201 459 D C 2.350 178.607 176.300 -0.070 0.000 0.986 459 D CA 1.576 55.540 54.000 -0.060 0.000 0.847 459 D CB -0.206 40.562 40.800 -0.053 0.000 0.942 459 D HN 0.434 nan 8.370 nan 0.000 0.467 460 S N -0.750 114.875 115.700 -0.124 0.000 2.507 460 S HA -0.075 4.396 4.470 0.001 0.000 0.235 460 S C 0.765 175.130 174.600 -0.392 0.000 0.988 460 S CA 0.060 58.116 58.200 -0.240 0.000 0.944 460 S CB -0.490 62.549 63.200 -0.269 0.000 0.762 460 S HN 0.037 nan 8.310 nan 0.000 0.526 461 F N 0.000 119.821 119.950 -0.215 0.000 2.286 461 F HA 0.000 4.528 4.527 0.001 0.000 0.279 461 F CA 0.000 57.886 58.000 -0.189 0.000 1.383 461 F CB 0.000 38.839 39.000 -0.269 0.000 1.145 461 F HN 0.000 nan 8.300 nan 0.000 0.574