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 1dfo_1_C DATA FIRST_RESID 1 DATA SEQUENCE MLKREMNIAD YDAELWQAME QEKVRQEEHI ELIASENYTS PRVMQAQGSQ DATA SEQUENCE LTNKYAEGYP GKRYYGGCEY VDIVEQLAID RAKELFGADY ANVQPHSGSQ DATA SEQUENCE ANFAVYTALL EPGDTVLGMN LAHGGHLTHG SPVNFSGKLY NIVPYGIDAT DATA SEQUENCE GHIDYADLEK QAKEHKPKMI IGGFSAYSGV VDWAKMREIA DSIGAYLFVD DATA SEQUENCE MAHVAGLVAA GVYPNPVPHA HVVTTTTHKT LAGPRGGLIL AKGGSEELYK DATA SEQUENCE KLNSAVFPGG QGGPLMHVIA GKAVALKEAM EPEFKTYQQQ VAKNAKAMVE DATA SEQUENCE VFLERGYKVV SGGTDNHLFL VDLVDKNLTG KEADAALGRA NITVNKNSVP DATA SEQUENCE NDPKSPFVTS GIRVGTPAIT RRGFKEAEAK ELAGWMCDVL DSINDEAVIE DATA SEQUENCE RIKGKVLDIC ARYPVYA 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.276 176.300 -0.040 0.000 1.140 1 M CA 0.000 55.281 55.300 -0.032 0.000 0.988 1 M CB 0.000 32.583 32.600 -0.029 0.000 1.302 2 L N 3.881 125.075 121.223 -0.048 0.000 3.291 2 L HA -0.184 4.155 4.340 -0.001 0.000 0.659 2 L C -0.635 176.200 176.870 -0.058 0.000 1.042 2 L CA 0.289 55.093 54.840 -0.061 0.000 1.256 2 L CB -0.846 41.176 42.059 -0.062 0.000 1.596 2 L HN 0.319 nan 8.230 nan 0.000 0.819 3 K N 3.131 123.496 120.400 -0.059 0.000 2.436 3 K HA 0.104 4.423 4.320 -0.001 0.000 0.275 3 K C 1.236 177.799 176.600 -0.061 0.000 0.999 3 K CA -0.162 56.092 56.287 -0.054 0.000 0.980 3 K CB 0.614 33.082 32.500 -0.053 0.000 0.919 3 K HN 0.410 nan 8.250 nan 0.000 0.484 4 R N 1.499 121.967 120.500 -0.054 0.000 2.280 4 R HA -0.112 4.228 4.340 -0.001 0.000 0.207 4 R C 1.274 177.537 176.300 -0.061 0.000 1.043 4 R CA 0.913 56.980 56.100 -0.056 0.000 1.006 4 R CB 0.187 30.459 30.300 -0.047 0.000 0.885 4 R HN 0.704 nan 8.270 nan 0.000 0.467 5 E N -0.024 120.139 120.200 -0.061 0.000 2.502 5 E HA -0.008 4.342 4.350 -0.001 0.000 0.194 5 E C 0.188 176.738 176.600 -0.083 0.000 1.062 5 E CA 0.045 56.406 56.400 -0.066 0.000 0.867 5 E CB -0.015 29.651 29.700 -0.057 0.000 0.888 5 E HN 0.157 nan 8.360 nan 0.000 0.510 6 M N 2.790 122.336 119.600 -0.090 0.000 2.238 6 M HA 0.083 4.562 4.480 -0.001 0.000 0.350 6 M C -0.339 175.888 176.300 -0.121 0.000 1.321 6 M CA 0.335 55.568 55.300 -0.113 0.000 1.097 6 M CB 0.124 32.642 32.600 -0.136 0.000 1.713 6 M HN 0.187 nan 8.290 nan 0.000 0.455 7 N N 1.728 120.349 118.700 -0.131 0.000 2.525 7 N HA 0.460 5.200 4.740 -0.001 0.000 0.270 7 N C -0.122 175.300 175.510 -0.146 0.000 1.321 7 N CA -0.916 52.036 53.050 -0.163 0.000 0.797 7 N CB 1.052 39.399 38.487 -0.234 0.000 1.529 7 N HN 0.544 nan 8.380 nan 0.000 0.491 8 I N -0.116 120.352 120.570 -0.171 0.000 2.315 8 I HA -0.156 4.014 4.170 -0.001 0.000 0.248 8 I C 2.428 178.426 176.117 -0.199 0.000 1.117 8 I CA 1.375 62.645 61.300 -0.052 0.000 1.404 8 I CB -0.607 37.474 38.000 0.134 0.000 1.071 8 I HN 0.796 nan 8.210 nan 0.000 0.419 9 A N 1.865 124.245 122.820 -0.734 0.000 1.892 9 A HA -0.302 4.018 4.320 -0.001 0.000 0.218 9 A C 1.856 179.241 177.584 -0.331 0.000 1.188 9 A CA 2.625 54.115 52.037 -0.912 0.000 0.631 9 A CB -0.822 17.388 19.000 -1.315 0.000 0.822 9 A HN 0.628 nan 8.150 nan 0.000 0.447 10 D N -3.472 116.797 120.400 -0.218 0.000 2.349 10 D HA -0.023 4.616 4.640 -0.001 0.000 0.215 10 D C 1.332 177.630 176.300 -0.003 0.000 1.016 10 D CA 0.731 54.677 54.000 -0.091 0.000 0.870 10 D CB -0.311 40.444 40.800 -0.076 0.000 0.917 10 D HN 0.558 nan 8.370 nan 0.000 0.524 11 Y N 0.324 120.561 120.300 -0.105 0.000 2.500 11 Y HA 0.214 4.763 4.550 -0.001 0.000 0.284 11 Y C -0.263 175.621 175.900 -0.028 0.000 1.118 11 Y CA 0.215 58.279 58.100 -0.060 0.000 1.241 11 Y CB 0.788 39.211 38.460 -0.062 0.000 1.171 11 Y HN -0.170 nan 8.280 nan 0.000 0.540 12 D N 0.306 120.681 120.400 -0.040 0.000 2.405 12 D HA 0.344 4.983 4.640 -0.001 0.000 0.264 12 D C 0.686 177.023 176.300 0.062 0.000 1.240 12 D CA 0.384 54.350 54.000 -0.055 0.000 0.893 12 D CB 1.026 41.876 40.800 0.084 0.000 1.198 12 D HN 0.327 nan 8.370 nan 0.000 0.514 13 A N 2.785 125.623 122.820 0.030 0.000 1.902 13 A HA -0.169 4.151 4.320 -0.001 0.000 0.217 13 A C 1.875 179.532 177.584 0.122 0.000 1.181 13 A CA 1.324 53.425 52.037 0.106 0.000 0.623 13 A CB -0.208 18.825 19.000 0.054 0.000 0.818 13 A HN 0.568 nan 8.150 nan 0.000 0.443 14 E N -0.792 119.444 120.200 0.059 0.000 2.033 14 E HA -0.240 4.110 4.350 -0.001 0.000 0.199 14 E C 1.991 178.631 176.600 0.067 0.000 1.011 14 E CA 1.472 57.900 56.400 0.046 0.000 0.815 14 E CB -0.341 29.370 29.700 0.019 0.000 0.755 14 E HN 0.506 nan 8.360 nan 0.000 0.451 15 L N 0.933 122.209 121.223 0.088 0.000 2.042 15 L HA -0.184 4.156 4.340 -0.001 0.000 0.210 15 L C 2.061 179.015 176.870 0.141 0.000 1.076 15 L CA 1.781 56.682 54.840 0.101 0.000 0.749 15 L CB -0.537 41.596 42.059 0.124 0.000 0.893 15 L HN 0.368 nan 8.230 nan 0.000 0.432 16 W N 0.282 121.584 121.300 0.004 0.000 2.358 16 W HA -0.291 4.369 4.660 -0.000 0.000 0.303 16 W C 2.406 178.924 176.519 -0.002 0.000 1.208 16 W CA 1.802 59.149 57.345 0.003 0.000 1.274 16 W CB -0.137 29.327 29.460 0.007 0.000 1.138 16 W HN 0.453 nan 8.180 nan 0.000 0.515 17 Q N 0.508 120.317 119.800 0.014 0.000 2.124 17 Q HA -0.178 4.162 4.340 -0.001 0.000 0.202 17 Q C 2.341 178.252 176.000 -0.150 0.000 0.977 17 Q CA 2.192 57.938 55.803 -0.094 0.000 0.850 17 Q CB -0.420 28.320 28.738 0.003 0.000 0.901 17 Q HN 0.183 nan 8.270 nan 0.000 0.429 18 A N 0.495 123.258 122.820 -0.096 0.000 1.898 18 A HA -0.164 4.156 4.320 -0.001 0.000 0.216 18 A C 2.041 179.534 177.584 -0.151 0.000 1.181 18 A CA 1.485 53.466 52.037 -0.093 0.000 0.620 18 A CB -0.478 18.496 19.000 -0.044 0.000 0.819 18 A HN 0.473 nan 8.150 nan 0.000 0.442 19 M N -0.881 118.593 119.600 -0.211 0.000 2.132 19 M HA -0.127 4.353 4.480 -0.001 0.000 0.263 19 M C 2.046 178.111 176.300 -0.392 0.000 1.065 19 M CA 1.290 56.422 55.300 -0.279 0.000 1.122 19 M CB -0.339 32.076 32.600 -0.308 0.000 1.365 19 M HN 0.303 nan 8.290 nan 0.000 0.411 20 E N 0.530 120.386 120.200 -0.574 0.000 2.110 20 E HA -0.196 4.153 4.350 -0.001 0.000 0.193 20 E C 1.959 178.400 176.600 -0.264 0.000 0.988 20 E CA 1.286 57.388 56.400 -0.497 0.000 0.804 20 E CB -0.344 29.026 29.700 -0.551 0.000 0.745 20 E HN 0.638 nan 8.360 nan 0.000 0.458 21 Q N 0.195 119.869 119.800 -0.210 0.000 2.167 21 Q HA -0.176 4.163 4.340 -0.001 0.000 0.202 21 Q C 2.063 177.985 176.000 -0.131 0.000 0.970 21 Q CA 1.255 56.976 55.803 -0.138 0.000 0.855 21 Q CB -0.071 28.604 28.738 -0.105 0.000 0.911 21 Q HN 0.096 nan 8.270 nan 0.000 0.438 22 E N 1.669 121.787 120.200 -0.136 0.000 2.106 22 E HA -0.177 4.173 4.350 -0.001 0.000 0.192 22 E C 1.733 178.275 176.600 -0.096 0.000 0.984 22 E CA 1.281 57.615 56.400 -0.109 0.000 0.806 22 E CB 0.001 29.646 29.700 -0.091 0.000 0.750 22 E HN 0.175 nan 8.360 nan 0.000 0.458 23 K N -0.343 119.985 120.400 -0.121 0.000 2.057 23 K HA -0.095 4.224 4.320 -0.001 0.000 0.207 23 K C 1.913 178.477 176.600 -0.061 0.000 1.049 23 K CA 1.496 57.727 56.287 -0.094 0.000 0.931 23 K CB -0.025 32.385 32.500 -0.150 0.000 0.714 23 K HN 0.089 nan 8.250 nan 0.000 0.440 24 V N 1.233 121.099 119.914 -0.081 0.000 2.379 24 V HA -0.158 3.962 4.120 -0.001 0.000 0.245 24 V C 2.499 178.554 176.094 -0.065 0.000 1.044 24 V CA 1.663 63.929 62.300 -0.056 0.000 1.036 24 V CB -0.548 31.240 31.823 -0.058 0.000 0.664 24 V HN 0.386 nan 8.190 nan 0.000 0.453 25 R N 0.080 120.506 120.500 -0.124 0.000 2.105 25 R HA -0.223 4.117 4.340 -0.001 0.000 0.239 25 R C 2.270 178.468 176.300 -0.169 0.000 1.135 25 R CA 1.874 57.821 56.100 -0.255 0.000 0.967 25 R CB -0.197 29.900 30.300 -0.338 0.000 0.861 25 R HN 0.578 nan 8.270 nan 0.000 0.442 26 Q N -0.569 119.201 119.800 -0.050 0.000 2.291 26 Q HA -0.122 4.218 4.340 -0.001 0.000 0.205 26 Q C 1.556 177.573 176.000 0.029 0.000 0.970 26 Q CA 0.968 56.804 55.803 0.055 0.000 0.876 26 Q CB 0.249 29.058 28.738 0.118 0.000 0.935 26 Q HN 0.337 nan 8.270 nan 0.000 0.455 27 E N 0.512 120.718 120.200 0.010 0.000 2.102 27 E HA -0.069 4.281 4.350 -0.001 0.000 0.190 27 E C 1.269 177.913 176.600 0.075 0.000 0.971 27 E CA 0.731 57.141 56.400 0.017 0.000 0.821 27 E CB 0.218 29.930 29.700 0.019 0.000 0.777 27 E HN 0.430 nan 8.360 nan 0.000 0.460 28 E N -0.071 120.184 120.200 0.091 0.000 2.502 28 E HA 0.027 4.377 4.350 -0.001 0.000 0.194 28 E C 0.230 177.018 176.600 0.313 0.000 1.062 28 E CA 0.199 56.700 56.400 0.168 0.000 0.867 28 E CB 0.178 29.968 29.700 0.150 0.000 0.888 28 E HN 0.324 nan 8.360 nan 0.000 0.510 29 H N 0.317 119.426 119.070 0.066 0.000 2.529 29 H HA 0.280 4.835 4.556 -0.000 0.000 0.348 29 H C -0.273 175.104 175.328 0.081 0.000 1.152 29 H CA -1.059 55.032 56.048 0.071 0.000 1.202 29 H CB 1.747 31.546 29.762 0.062 0.000 1.562 29 H HN -0.067 nan 8.280 nan 0.000 0.515 30 I N 3.229 123.890 120.570 0.151 0.000 2.301 30 I HA 0.019 4.188 4.170 -0.001 0.000 0.292 30 I C 0.289 176.444 176.117 0.063 0.000 1.046 30 I CA -0.169 61.178 61.300 0.078 0.000 1.282 30 I CB 0.674 38.725 38.000 0.086 0.000 1.409 30 I HN 0.479 nan 8.210 nan 0.000 0.484 31 E N 7.398 127.632 120.200 0.056 0.000 2.194 31 E HA 0.265 4.615 4.350 -0.001 0.000 0.284 31 E C 0.270 176.836 176.600 -0.057 0.000 1.035 31 E CA -0.247 56.163 56.400 0.017 0.000 0.836 31 E CB 2.060 31.757 29.700 -0.005 0.000 1.070 31 E HN 0.511 nan 8.360 nan 0.000 0.401 32 L N 3.619 124.811 121.223 -0.052 0.000 3.014 32 L HA 0.335 4.674 4.340 -0.001 0.000 0.263 32 L C 0.438 177.249 176.870 -0.098 0.000 1.207 32 L CA -0.130 54.659 54.840 -0.085 0.000 1.017 32 L CB 0.367 42.378 42.059 -0.080 0.000 1.360 32 L HN 0.377 nan 8.230 nan 0.000 0.560 33 I N 1.043 121.572 120.570 -0.068 0.000 2.494 33 I HA 0.006 4.176 4.170 -0.001 0.000 0.289 33 I C 1.683 177.785 176.117 -0.025 0.000 1.106 33 I CA -0.051 61.221 61.300 -0.046 0.000 1.369 33 I CB 1.444 39.432 38.000 -0.021 0.000 1.410 33 I HN 0.197 nan 8.210 nan 0.000 0.523 34 A N 4.687 127.504 122.820 -0.005 0.000 2.042 34 A HA -0.217 4.103 4.320 -0.001 0.000 0.222 34 A C 2.185 179.879 177.584 0.182 0.000 1.167 34 A CA 2.284 54.382 52.037 0.101 0.000 0.649 34 A CB -0.485 18.560 19.000 0.076 0.000 0.809 34 A HN 0.789 nan 8.150 nan 0.000 0.457 35 S N -1.047 114.720 115.700 0.111 0.000 2.575 35 S HA 0.203 4.673 4.470 -0.001 0.000 0.215 35 S C 0.363 174.933 174.600 -0.050 0.000 0.966 35 S CA -0.236 57.934 58.200 -0.050 0.000 0.911 35 S CB 0.046 63.240 63.200 -0.010 0.000 0.780 35 S HN 0.642 nan 8.310 nan 0.000 0.514 36 E N 0.913 121.091 120.200 -0.038 0.000 2.243 36 E HA 0.563 4.913 4.350 -0.001 0.000 0.260 36 E C -0.513 175.998 176.600 -0.149 0.000 0.985 36 E CA -0.866 55.492 56.400 -0.069 0.000 0.858 36 E CB 0.866 30.515 29.700 -0.086 0.000 1.210 36 E HN 0.151 nan 8.360 nan 0.000 0.411 37 N N -0.435 118.140 118.700 -0.209 0.000 3.449 37 N HA 0.235 4.975 4.740 -0.001 0.000 0.312 37 N C -1.996 173.286 175.510 -0.380 0.000 1.557 37 N CA -0.466 52.404 53.050 -0.301 0.000 0.864 37 N CB 0.914 39.361 38.487 -0.067 0.000 1.799 37 N HN 0.288 nan 8.380 nan 0.000 0.554 38 Y N 0.292 120.612 120.300 0.034 0.000 2.363 38 Y HA 0.317 4.866 4.550 -0.001 0.000 0.325 38 Y C 0.659 176.607 175.900 0.079 0.000 0.984 38 Y CA -0.531 57.594 58.100 0.041 0.000 1.248 38 Y CB 1.288 39.666 38.460 -0.136 0.000 1.116 38 Y HN 0.266 nan 8.280 nan 0.000 0.470 39 T N 2.124 116.845 114.554 0.279 0.000 2.860 39 T HA 0.303 4.653 4.350 -0.001 0.000 0.299 39 T C 0.516 175.368 174.700 0.254 0.000 1.045 39 T CA -0.404 61.818 62.100 0.203 0.000 1.071 39 T CB 0.331 69.287 68.868 0.146 0.000 0.985 39 T HN 0.748 nan 8.240 nan 0.000 0.537 40 S N 3.822 119.623 115.700 0.168 0.000 2.593 40 S HA 0.273 4.742 4.470 -0.001 0.000 0.269 40 S C -1.828 172.856 174.600 0.141 0.000 1.334 40 S CA -1.038 57.265 58.200 0.172 0.000 1.015 40 S CB 0.714 63.970 63.200 0.094 0.000 0.912 40 S HN 0.524 nan 8.310 nan 0.000 0.541 41 P HA -0.037 nan 4.420 nan 0.000 0.222 41 P C 1.331 178.646 177.300 0.024 0.000 1.147 41 P CA 0.935 64.056 63.100 0.035 0.000 0.790 41 P CB 0.065 31.785 31.700 0.032 0.000 0.780 42 R N -0.781 119.740 120.500 0.036 0.000 2.075 42 R HA -0.045 4.295 4.340 -0.001 0.000 0.232 42 R C 2.002 178.313 176.300 0.018 0.000 1.126 42 R CA 1.176 57.289 56.100 0.021 0.000 0.963 42 R CB -1.241 29.070 30.300 0.018 0.000 0.858 42 R HN 0.145 nan 8.270 nan 0.000 0.435 43 V N 1.483 121.414 119.914 0.028 0.000 2.358 43 V HA -0.224 3.896 4.120 -0.001 0.000 0.246 43 V C 2.352 178.457 176.094 0.019 0.000 1.047 43 V CA 1.679 63.993 62.300 0.024 0.000 1.035 43 V CB -0.360 31.486 31.823 0.038 0.000 0.658 43 V HN 0.301 nan 8.190 nan 0.000 0.452 44 M N -0.707 118.903 119.600 0.017 0.000 2.229 44 M HA -0.221 4.259 4.480 -0.001 0.000 0.264 44 M C 2.338 178.641 176.300 0.005 0.000 1.063 44 M CA 1.701 57.003 55.300 0.003 0.000 1.114 44 M CB -0.454 32.129 32.600 -0.028 0.000 1.387 44 M HN 0.373 nan 8.290 nan 0.000 0.420 45 Q N 0.526 120.328 119.800 0.003 0.000 2.084 45 Q HA -0.169 4.171 4.340 -0.001 0.000 0.202 45 Q C 2.076 178.083 176.000 0.012 0.000 0.978 45 Q CA 1.797 57.602 55.803 0.003 0.000 0.844 45 Q CB -0.030 28.708 28.738 0.000 0.000 0.898 45 Q HN 0.539 nan 8.270 nan 0.000 0.426 46 A N 0.612 123.442 122.820 0.016 0.000 1.902 46 A HA -0.213 4.107 4.320 -0.001 0.000 0.217 46 A C 1.895 179.512 177.584 0.054 0.000 1.181 46 A CA 1.497 53.549 52.037 0.025 0.000 0.623 46 A CB -0.525 18.484 19.000 0.015 0.000 0.818 46 A HN 0.499 nan 8.150 nan 0.000 0.443 47 Q N -0.982 118.849 119.800 0.051 0.000 2.364 47 Q HA -0.071 4.269 4.340 -0.001 0.000 0.207 47 Q C 1.536 177.620 176.000 0.139 0.000 0.970 47 Q CA 0.848 56.713 55.803 0.103 0.000 0.888 47 Q CB -0.197 28.567 28.738 0.045 0.000 0.951 47 Q HN 0.657 nan 8.270 nan 0.000 0.469 48 G N 0.576 109.412 108.800 0.060 0.000 3.434 48 G HA2 0.076 4.036 3.960 -0.001 0.000 0.258 48 G HA3 0.076 4.036 3.960 -0.001 0.000 0.258 48 G C 0.257 175.154 174.900 -0.003 0.000 1.128 48 G CA -0.042 45.073 45.100 0.025 0.000 0.792 48 G HN 0.243 nan 8.290 nan 0.000 0.539 49 S N -1.055 114.650 115.700 0.007 0.000 2.713 49 S HA 0.250 4.719 4.470 -0.001 0.000 0.277 49 S C 0.964 175.529 174.600 -0.058 0.000 1.168 49 S CA -0.507 57.683 58.200 -0.017 0.000 0.994 49 S CB 1.254 64.456 63.200 0.004 0.000 1.054 49 S HN 0.193 nan 8.310 nan 0.000 0.555 50 Q N -0.169 119.598 119.800 -0.056 0.000 2.482 50 Q HA 0.201 4.541 4.340 -0.001 0.000 0.209 50 Q C 1.375 177.326 176.000 -0.081 0.000 0.961 50 Q CA 0.189 55.946 55.803 -0.077 0.000 0.945 50 Q CB -0.543 28.160 28.738 -0.057 0.000 1.012 50 Q HN 0.609 nan 8.270 nan 0.000 0.515 51 L N -0.099 121.093 121.223 -0.051 0.000 2.450 51 L HA -0.132 4.208 4.340 -0.001 0.000 0.224 51 L C 2.309 179.124 176.870 -0.091 0.000 1.149 51 L CA 0.924 55.749 54.840 -0.025 0.000 0.816 51 L CB -0.554 41.532 42.059 0.045 0.000 0.932 51 L HN 0.235 nan 8.230 nan 0.000 0.449 52 T N -0.270 114.121 114.554 -0.272 0.000 3.007 52 T HA -0.082 4.268 4.350 -0.001 0.000 0.270 52 T C 1.553 176.079 174.700 -0.289 0.000 1.107 52 T CA 1.030 62.810 62.100 -0.533 0.000 1.118 52 T CB -0.143 68.218 68.868 -0.844 0.000 0.889 52 T HN 0.333 nan 8.240 nan 0.000 0.506 53 N N 0.858 119.446 118.700 -0.187 0.000 2.463 53 N HA 0.056 4.796 4.740 -0.001 0.000 0.181 53 N C 0.405 175.847 175.510 -0.113 0.000 1.078 53 N CA 0.403 53.374 53.050 -0.132 0.000 0.902 53 N CB 0.122 38.556 38.487 -0.088 0.000 0.970 53 N HN 0.227 nan 8.380 nan 0.000 0.451 54 K N 0.752 121.079 120.400 -0.121 0.000 2.183 54 K HA 0.171 4.490 4.320 -0.001 0.000 0.274 54 K C -1.068 175.406 176.600 -0.210 0.000 1.009 54 K CA -0.548 55.672 56.287 -0.111 0.000 0.888 54 K CB 0.419 32.883 32.500 -0.059 0.000 1.078 54 K HN -0.050 nan 8.250 nan 0.000 0.459 55 Y N 0.785 120.904 120.300 -0.302 0.000 2.327 55 Y HA 0.346 4.896 4.550 -0.001 0.000 0.336 55 Y C 0.263 175.845 175.900 -0.530 0.000 1.035 55 Y CA -0.250 57.531 58.100 -0.533 0.000 1.165 55 Y CB 1.518 39.397 38.460 -0.969 0.000 1.181 55 Y HN 0.621 nan 8.280 nan 0.000 0.494 56 A N 4.736 127.450 122.820 -0.177 0.000 3.365 56 A HA 0.292 4.612 4.320 -0.001 0.000 0.258 56 A C -0.392 177.163 177.584 -0.047 0.000 0.964 56 A CA -0.634 51.378 52.037 -0.042 0.000 0.988 56 A CB -0.243 18.719 19.000 -0.063 0.000 1.193 56 A HN 0.768 nan 8.150 nan 0.000 0.508 57 E N 0.329 120.575 120.200 0.078 0.000 2.415 57 E HA 0.426 4.776 4.350 -0.001 0.000 0.262 57 E C 0.927 177.410 176.600 -0.194 0.000 1.038 57 E CA 1.068 57.264 56.400 -0.340 0.000 0.921 57 E CB 0.770 30.294 29.700 -0.292 0.000 0.950 57 E HN 1.091 nan 8.360 nan 0.000 0.438 58 G N 1.187 109.658 108.800 -0.548 0.000 2.472 58 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.205 58 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.205 58 G C -1.501 173.123 174.900 -0.460 0.000 1.270 58 G CA -0.767 44.315 45.100 -0.031 0.000 0.974 58 G HN 0.429 nan 8.290 nan 0.000 0.542 59 Y N 0.774 121.154 120.300 0.134 0.000 2.602 59 Y HA 0.618 5.168 4.550 -0.000 0.000 0.342 59 Y C -1.751 174.178 175.900 0.049 0.000 1.029 59 Y CA -1.591 56.556 58.100 0.078 0.000 1.080 59 Y CB 2.108 40.625 38.460 0.095 0.000 1.284 59 Y HN 0.471 nan 8.280 nan 0.000 0.485 60 P HA -0.034 nan 4.420 nan 0.000 0.258 60 P C 0.716 178.065 177.300 0.081 0.000 1.172 60 P CA 2.043 65.197 63.100 0.090 0.000 0.762 60 P CB 0.298 32.043 31.700 0.075 0.000 0.764 61 G N 1.614 110.440 108.800 0.043 0.000 2.253 61 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.251 61 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.251 61 G C 0.434 175.349 174.900 0.026 0.000 0.998 61 G CA 0.434 45.550 45.100 0.027 0.000 0.621 61 G HN 0.912 nan 8.290 nan 0.000 0.524 62 K N 0.685 121.119 120.400 0.056 0.000 2.954 62 K HA 0.701 5.021 4.320 -0.001 0.000 0.171 62 K C 0.467 177.083 176.600 0.027 0.000 1.079 62 K CA -0.388 55.919 56.287 0.034 0.000 0.908 62 K CB 0.262 32.816 32.500 0.090 0.000 1.142 62 K HN 0.437 nan 8.250 nan 0.000 0.613 63 R N -0.563 119.931 120.500 -0.009 0.000 2.553 63 R HA 0.471 4.811 4.340 -0.001 0.000 0.263 63 R C -0.226 176.024 176.300 -0.083 0.000 1.066 63 R CA -0.632 55.493 56.100 0.042 0.000 1.135 63 R CB 0.398 30.750 30.300 0.087 0.000 1.148 63 R HN 0.490 nan 8.270 nan 0.000 0.558 64 Y N -0.771 119.550 120.300 0.035 0.000 2.467 64 Y HA 0.248 4.797 4.550 -0.001 0.000 0.250 64 Y C -0.427 175.213 175.900 -0.434 0.000 1.155 64 Y CA 0.012 58.011 58.100 -0.169 0.000 1.249 64 Y CB 0.474 38.803 38.460 -0.218 0.000 1.146 64 Y HN 0.382 nan 8.280 nan 0.000 0.524 65 Y N -1.169 119.185 120.300 0.090 0.000 2.553 65 Y HA 0.642 5.192 4.550 -0.001 0.000 0.347 65 Y C 0.674 176.585 175.900 0.017 0.000 1.019 65 Y CA -1.964 56.166 58.100 0.051 0.000 1.032 65 Y CB 0.973 39.472 38.460 0.066 0.000 1.284 65 Y HN -0.124 nan 8.280 nan 0.000 0.466 66 G N -0.477 108.422 108.800 0.165 0.000 2.528 66 G HA2 0.433 4.393 3.960 -0.001 0.000 0.289 66 G HA3 0.433 4.393 3.960 -0.001 0.000 0.289 66 G C 0.642 175.588 174.900 0.077 0.000 1.192 66 G CA -0.305 44.843 45.100 0.080 0.000 0.921 66 G HN 1.476 nan 8.290 nan 0.000 0.512 67 G N -2.123 106.691 108.800 0.024 0.000 2.176 67 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.252 67 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.252 67 G C 0.657 175.550 174.900 -0.012 0.000 1.024 67 G CA 0.415 45.518 45.100 0.006 0.000 0.755 67 G HN 0.966 nan 8.290 nan 0.000 0.507 68 C N 0.121 119.402 119.300 -0.031 0.000 2.688 68 C HA 0.365 4.824 4.460 -0.001 0.000 0.297 68 C C 2.102 177.024 174.990 -0.113 0.000 1.308 68 C CA 0.159 59.156 59.018 -0.036 0.000 1.726 68 C CB -0.422 27.324 27.740 0.009 0.000 1.982 68 C HN 0.638 nan 8.230 nan 0.000 0.604 69 E N 0.864 120.906 120.200 -0.263 0.000 2.085 69 E HA -0.186 4.164 4.350 -0.001 0.000 0.194 69 E C 1.143 177.498 176.600 -0.408 0.000 0.994 69 E CA 1.718 57.867 56.400 -0.419 0.000 0.801 69 E CB -0.257 29.020 29.700 -0.704 0.000 0.743 69 E HN 0.717 nan 8.360 nan 0.000 0.453 70 Y N -0.439 119.865 120.300 0.007 0.000 2.347 70 Y HA 0.004 4.553 4.550 -0.001 0.000 0.294 70 Y C 2.288 178.188 175.900 0.000 0.000 1.117 70 Y CA 0.593 58.695 58.100 0.002 0.000 1.184 70 Y CB -0.730 37.730 38.460 -0.001 0.000 1.047 70 Y HN 0.017 nan 8.280 nan 0.000 0.546 71 V N -2.317 117.660 119.914 0.105 0.000 2.809 71 V HA -0.142 3.978 4.120 -0.001 0.000 0.256 71 V C 1.471 177.584 176.094 0.032 0.000 1.080 71 V CA 1.889 64.224 62.300 0.058 0.000 1.102 71 V CB -0.436 31.403 31.823 0.027 0.000 0.705 71 V HN 0.111 nan 8.190 nan 0.000 0.475 72 D N 1.000 121.409 120.400 0.015 0.000 2.117 72 D HA -0.037 4.602 4.640 -0.001 0.000 0.198 72 D C 2.039 178.353 176.300 0.024 0.000 0.982 72 D CA 1.674 55.680 54.000 0.010 0.000 0.828 72 D CB -0.220 40.573 40.800 -0.011 0.000 0.967 72 D HN 0.508 nan 8.370 nan 0.000 0.464 73 I N 0.038 120.631 120.570 0.039 0.000 2.226 73 I HA -0.219 3.951 4.170 -0.001 0.000 0.245 73 I C 2.292 178.433 176.117 0.040 0.000 1.100 73 I CA 0.512 61.841 61.300 0.048 0.000 1.374 73 I CB -0.131 37.919 38.000 0.084 0.000 1.057 73 I HN -0.090 nan 8.210 nan 0.000 0.413 74 V N 0.781 120.722 119.914 0.045 0.000 2.287 74 V HA -0.324 3.796 4.120 -0.001 0.000 0.248 74 V C 2.495 178.599 176.094 0.016 0.000 1.053 74 V CA 2.292 64.610 62.300 0.030 0.000 1.027 74 V CB -0.662 31.180 31.823 0.033 0.000 0.646 74 V HN 0.493 nan 8.190 nan 0.000 0.447 75 E N -0.350 119.859 120.200 0.016 0.000 2.110 75 E HA -0.305 4.044 4.350 -0.001 0.000 0.193 75 E C 2.248 178.855 176.600 0.011 0.000 0.988 75 E CA 1.375 57.782 56.400 0.011 0.000 0.804 75 E CB -0.062 29.646 29.700 0.014 0.000 0.745 75 E HN 0.546 nan 8.360 nan 0.000 0.458 76 Q N 0.640 120.450 119.800 0.017 0.000 2.124 76 Q HA -0.115 4.224 4.340 -0.001 0.000 0.202 76 Q C 2.108 178.108 176.000 0.000 0.000 0.977 76 Q CA 1.330 57.139 55.803 0.011 0.000 0.850 76 Q CB -0.233 28.514 28.738 0.016 0.000 0.901 76 Q HN 0.384 nan 8.270 nan 0.000 0.429 77 L N -0.561 120.663 121.223 0.003 0.000 2.012 77 L HA -0.209 4.130 4.340 -0.001 0.000 0.210 77 L C 2.324 179.186 176.870 -0.012 0.000 1.073 77 L CA 1.219 56.057 54.840 -0.004 0.000 0.748 77 L CB -0.770 41.288 42.059 0.000 0.000 0.891 77 L HN 0.322 nan 8.230 nan 0.000 0.431 78 A N 0.181 122.995 122.820 -0.011 0.000 1.902 78 A HA -0.200 4.120 4.320 -0.001 0.000 0.217 78 A C 2.184 179.755 177.584 -0.022 0.000 1.181 78 A CA 1.582 53.610 52.037 -0.015 0.000 0.623 78 A CB -0.657 18.336 19.000 -0.011 0.000 0.818 78 A HN 0.356 nan 8.150 nan 0.000 0.443 79 I N -0.109 120.443 120.570 -0.030 0.000 2.142 79 I HA -0.251 3.918 4.170 -0.001 0.000 0.240 79 I C 1.932 178.018 176.117 -0.052 0.000 1.078 79 I CA 1.632 62.897 61.300 -0.059 0.000 1.343 79 I CB -0.497 37.462 38.000 -0.067 0.000 1.046 79 I HN 0.267 nan 8.210 nan 0.000 0.405 80 D N 0.713 121.093 120.400 -0.034 0.000 2.117 80 D HA -0.141 4.499 4.640 -0.001 0.000 0.197 80 D C 2.314 178.598 176.300 -0.027 0.000 0.987 80 D CA 1.120 55.103 54.000 -0.027 0.000 0.829 80 D CB -0.263 40.526 40.800 -0.018 0.000 0.961 80 D HN 0.346 nan 8.370 nan 0.000 0.460 81 R N 0.679 121.162 120.500 -0.029 0.000 2.148 81 R HA 0.100 4.440 4.340 -0.001 0.000 0.223 81 R C 2.178 178.456 176.300 -0.036 0.000 1.088 81 R CA 0.886 56.961 56.100 -0.042 0.000 0.985 81 R CB -0.223 30.048 30.300 -0.048 0.000 0.880 81 R HN 0.090 nan 8.270 nan 0.000 0.451 82 A N 2.032 124.853 122.820 0.001 0.000 1.898 82 A HA -0.133 4.187 4.320 -0.001 0.000 0.216 82 A C 1.990 179.643 177.584 0.114 0.000 1.181 82 A CA 1.125 53.213 52.037 0.085 0.000 0.620 82 A CB -0.174 18.864 19.000 0.063 0.000 0.819 82 A HN 0.164 nan 8.150 nan 0.000 0.442 83 K N -0.569 119.850 120.400 0.030 0.000 2.057 83 K HA -0.171 4.149 4.320 -0.001 0.000 0.206 83 K C 2.113 178.729 176.600 0.027 0.000 1.050 83 K CA 1.526 57.831 56.287 0.029 0.000 0.935 83 K CB -0.141 32.351 32.500 -0.013 0.000 0.715 83 K HN 0.700 nan 8.250 nan 0.000 0.439 84 E N 0.982 121.175 120.200 -0.012 0.000 2.106 84 E HA -0.175 4.175 4.350 -0.001 0.000 0.192 84 E C 2.019 178.571 176.600 -0.081 0.000 0.984 84 E CA 0.507 56.887 56.400 -0.033 0.000 0.806 84 E CB 0.084 29.760 29.700 -0.041 0.000 0.750 84 E HN 0.074 nan 8.360 nan 0.000 0.458 85 L N -0.217 120.909 121.223 -0.162 0.000 2.093 85 L HA -0.065 4.275 4.340 -0.001 0.000 0.208 85 L C 1.285 177.859 176.870 -0.494 0.000 1.085 85 L CA 1.639 56.250 54.840 -0.382 0.000 0.755 85 L CB -0.145 41.556 42.059 -0.597 0.000 0.904 85 L HN 0.143 nan 8.230 nan 0.000 0.435 86 F N -0.434 119.513 119.950 -0.005 0.000 2.678 86 F HA 0.447 4.974 4.527 -0.001 0.000 0.305 86 F C 1.675 177.477 175.800 0.002 0.000 1.090 86 F CA 0.163 58.165 58.000 0.004 0.000 1.272 86 F CB -0.204 38.791 39.000 -0.009 0.000 1.060 86 F HN 0.077 nan 8.300 nan 0.000 0.576 87 G N 1.239 110.110 108.800 0.118 0.000 2.225 87 G HA2 -0.023 3.937 3.960 -0.001 0.000 0.264 87 G HA3 -0.023 3.937 3.960 -0.001 0.000 0.264 87 G C 0.070 175.017 174.900 0.079 0.000 1.060 87 G CA 0.033 45.180 45.100 0.078 0.000 0.833 87 G HN 0.655 nan 8.290 nan 0.000 0.498 88 A N -0.527 122.346 122.820 0.088 0.000 2.311 88 A HA 0.782 5.102 4.320 -0.001 0.000 0.334 88 A C 0.809 178.422 177.584 0.048 0.000 1.139 88 A CA 0.316 52.393 52.037 0.067 0.000 0.830 88 A CB 0.934 19.968 19.000 0.058 0.000 1.234 88 A HN 0.683 nan 8.150 nan 0.000 0.483 89 D N -1.679 118.760 120.400 0.064 0.000 2.398 89 D HA 0.188 4.827 4.640 -0.001 0.000 0.210 89 D C -0.419 175.898 176.300 0.028 0.000 1.094 89 D CA 0.227 54.270 54.000 0.072 0.000 0.839 89 D CB 0.015 40.898 40.800 0.138 0.000 0.963 89 D HN 0.360 nan 8.370 nan 0.000 0.506 90 Y N 0.664 120.827 120.300 -0.228 0.000 2.470 90 Y HA 0.627 5.176 4.550 -0.001 0.000 0.341 90 Y C -1.908 173.828 175.900 -0.273 0.000 1.021 90 Y CA -1.200 56.636 58.100 -0.440 0.000 1.025 90 Y CB 1.849 39.614 38.460 -1.159 0.000 1.266 90 Y HN 0.080 nan 8.280 nan 0.000 0.448 91 A N 5.028 127.149 122.820 -1.164 0.000 2.540 91 A HA 0.519 4.839 4.320 -0.001 0.000 0.297 91 A C -2.113 174.982 177.584 -0.816 0.000 1.056 91 A CA -0.832 50.743 52.037 -0.771 0.000 0.700 91 A CB 1.553 20.362 19.000 -0.317 0.000 1.280 91 A HN 0.686 nan 8.150 nan 0.000 0.398 92 N N 1.768 120.179 118.700 -0.481 0.000 2.448 92 N HA 0.368 5.107 4.740 -0.001 0.000 0.279 92 N C 0.098 175.566 175.510 -0.070 0.000 1.025 92 N CA 0.017 52.946 53.050 -0.202 0.000 0.898 92 N CB 2.067 40.534 38.487 -0.033 0.000 1.303 92 N HN 0.942 nan 8.380 nan 0.000 0.495 93 V N 1.306 121.204 119.914 -0.025 0.000 3.542 93 V HA 0.228 4.347 4.120 -0.001 0.000 0.296 93 V C 1.289 177.382 176.094 -0.002 0.000 1.364 93 V CA 0.356 62.648 62.300 -0.013 0.000 1.118 93 V CB -0.014 31.799 31.823 -0.017 0.000 0.972 93 V HN 0.546 nan 8.190 nan 0.000 0.430 94 Q N 0.612 120.419 119.800 0.011 0.000 2.331 94 Q HA 0.164 4.504 4.340 -0.001 0.000 0.203 94 Q C -1.532 174.409 176.000 -0.099 0.000 0.944 94 Q CA -0.323 55.458 55.803 -0.038 0.000 0.892 94 Q CB -0.839 27.871 28.738 -0.046 0.000 0.983 94 Q HN 0.551 nan 8.270 nan 0.000 0.482 95 P HA -0.122 nan 4.420 nan 0.000 0.262 95 P C -0.125 177.152 177.300 -0.039 0.000 1.182 95 P CA 0.632 63.688 63.100 -0.073 0.000 0.761 95 P CB 0.421 32.137 31.700 0.026 0.000 0.795 96 H N 0.513 119.602 119.070 0.031 0.000 2.491 96 H HA 0.022 4.577 4.556 -0.001 0.000 0.290 96 H C 1.066 176.404 175.328 0.017 0.000 1.050 96 H CA 1.137 57.186 56.048 0.002 0.000 1.309 96 H CB 0.080 29.838 29.762 -0.008 0.000 1.392 96 H HN 0.501 nan 8.280 nan 0.000 0.554 97 S N -2.675 113.122 115.700 0.161 0.000 2.703 97 S HA 0.406 4.876 4.470 -0.001 0.000 0.273 97 S C 1.324 176.020 174.600 0.160 0.000 1.178 97 S CA -0.374 57.918 58.200 0.154 0.000 0.838 97 S CB 1.062 64.349 63.200 0.145 0.000 1.178 97 S HN 0.093 nan 8.310 nan 0.000 0.494 98 G N 0.970 109.872 108.800 0.171 0.000 2.408 98 G HA2 -0.017 3.943 3.960 -0.001 0.000 0.217 98 G HA3 -0.017 3.943 3.960 -0.001 0.000 0.217 98 G C 1.248 176.272 174.900 0.206 0.000 1.150 98 G CA 1.104 46.282 45.100 0.131 0.000 0.776 98 G HN 0.741 nan 8.290 nan 0.000 0.542 99 S N 0.398 116.246 115.700 0.247 0.000 2.368 99 S HA -0.109 4.361 4.470 -0.001 0.000 0.224 99 S C 2.390 177.218 174.600 0.381 0.000 1.029 99 S CA 1.387 59.813 58.200 0.377 0.000 0.988 99 S CB -0.187 63.231 63.200 0.363 0.000 0.838 99 S HN 0.294 nan 8.310 nan 0.000 0.462 100 Q N 1.160 121.105 119.800 0.241 0.000 2.172 100 Q HA 0.210 4.549 4.340 -0.001 0.000 0.200 100 Q C 2.285 178.420 176.000 0.226 0.000 0.964 100 Q CA 1.283 57.197 55.803 0.185 0.000 0.855 100 Q CB -0.683 28.117 28.738 0.103 0.000 0.918 100 Q HN 0.545 nan 8.270 nan 0.000 0.444 101 A N 0.715 123.658 122.820 0.205 0.000 1.877 101 A HA -0.203 4.117 4.320 -0.001 0.000 0.216 101 A C 1.779 179.502 177.584 0.232 0.000 1.186 101 A CA 1.696 53.839 52.037 0.177 0.000 0.620 101 A CB -0.539 18.548 19.000 0.146 0.000 0.822 101 A HN 0.331 nan 8.150 nan 0.000 0.443 102 N N -0.952 117.973 118.700 0.374 0.000 2.188 102 N HA -0.112 4.627 4.740 -0.001 0.000 0.184 102 N C 1.362 177.223 175.510 0.584 0.000 1.018 102 N CA 1.344 54.711 53.050 0.527 0.000 0.858 102 N CB -0.642 38.302 38.487 0.761 0.000 0.989 102 N HN 0.535 nan 8.380 nan 0.000 0.426 103 F N 1.677 121.855 119.950 0.379 0.000 2.171 103 F HA -0.096 4.430 4.527 -0.001 0.000 0.300 103 F C 2.115 177.966 175.800 0.084 0.000 1.090 103 F CA 1.207 59.265 58.000 0.096 0.000 1.293 103 F CB -0.261 38.508 39.000 -0.386 0.000 1.013 103 F HN 0.039 nan 8.300 nan 0.000 0.486 104 A N -0.289 122.603 122.820 0.119 0.000 1.902 104 A HA -0.109 4.211 4.320 -0.001 0.000 0.217 104 A C 2.303 179.806 177.584 -0.135 0.000 1.181 104 A CA 1.857 53.889 52.037 -0.009 0.000 0.623 104 A CB -1.331 17.713 19.000 0.073 0.000 0.818 104 A HN 0.260 nan 8.150 nan 0.000 0.443 105 V N -1.431 118.375 119.914 -0.180 0.000 2.295 105 V HA -0.289 3.830 4.120 -0.001 0.000 0.246 105 V C 2.339 178.180 176.094 -0.422 0.000 1.049 105 V CA 2.016 64.059 62.300 -0.429 0.000 1.024 105 V CB -1.085 30.192 31.823 -0.910 0.000 0.648 105 V HN 0.650 nan 8.190 nan 0.000 0.447 106 Y N 1.531 121.603 120.300 -0.381 0.000 2.097 106 Y HA -0.290 4.260 4.550 -0.001 0.000 0.282 106 Y C 2.998 178.704 175.900 -0.324 0.000 1.152 106 Y CA 2.306 60.185 58.100 -0.368 0.000 1.136 106 Y CB -1.010 37.319 38.460 -0.218 0.000 0.975 106 Y HN 0.446 nan 8.280 nan 0.000 0.498 107 T N -2.597 111.844 114.554 -0.189 0.000 2.962 107 T HA -0.061 4.289 4.350 -0.001 0.000 0.270 107 T C 1.898 176.510 174.700 -0.148 0.000 1.088 107 T CA 0.848 62.830 62.100 -0.197 0.000 1.127 107 T CB -0.486 68.137 68.868 -0.408 0.000 0.883 107 T HN 0.306 nan 8.240 nan 0.000 0.493 108 A N 1.150 123.859 122.820 -0.186 0.000 1.935 108 A HA 0.425 4.744 4.320 -0.001 0.000 0.214 108 A C 2.238 179.700 177.584 -0.202 0.000 1.178 108 A CA 0.598 52.531 52.037 -0.173 0.000 0.640 108 A CB -0.374 18.513 19.000 -0.189 0.000 0.825 108 A HN 0.530 nan 8.150 nan 0.000 0.447 109 L N -1.101 119.955 121.223 -0.279 0.000 2.515 109 L HA 0.310 4.650 4.340 -0.001 0.000 0.223 109 L C 0.235 177.025 176.870 -0.132 0.000 1.079 109 L CA 0.008 54.652 54.840 -0.327 0.000 0.857 109 L CB -0.064 41.595 42.059 -0.666 0.000 1.050 109 L HN 0.189 nan 8.230 nan 0.000 0.476 110 L N -1.213 119.950 121.223 -0.100 0.000 2.271 110 L HA 0.519 4.859 4.340 -0.001 0.000 0.265 110 L C -0.371 176.571 176.870 0.119 0.000 1.013 110 L CA -0.859 53.989 54.840 0.013 0.000 0.820 110 L CB 1.512 43.530 42.059 -0.069 0.000 1.352 110 L HN -0.169 nan 8.230 nan 0.000 0.443 111 E N 0.497 120.808 120.200 0.185 0.000 2.212 111 E HA 0.399 4.749 4.350 -0.001 0.000 0.268 111 E C -2.476 174.285 176.600 0.268 0.000 0.902 111 E CA -2.118 54.387 56.400 0.175 0.000 0.779 111 E CB 1.837 31.599 29.700 0.104 0.000 1.172 111 E HN 0.186 nan 8.360 nan 0.000 0.409 112 P HA 0.013 nan 4.420 nan 0.000 0.262 112 P C 0.686 178.014 177.300 0.047 0.000 1.182 112 P CA 1.201 64.284 63.100 -0.028 0.000 0.761 112 P CB 0.397 32.045 31.700 -0.086 0.000 0.795 113 G N 1.945 110.779 108.800 0.055 0.000 2.234 113 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.235 113 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.235 113 G C 0.076 175.084 174.900 0.179 0.000 0.997 113 G CA -0.312 44.847 45.100 0.099 0.000 0.623 113 G HN 0.493 nan 8.290 nan 0.000 0.514 114 D N 1.433 121.996 120.400 0.271 0.000 2.378 114 D HA 0.440 5.080 4.640 -0.001 0.000 0.238 114 D C 0.770 177.194 176.300 0.207 0.000 1.180 114 D CA 0.814 54.940 54.000 0.210 0.000 0.895 114 D CB 0.608 41.521 40.800 0.189 0.000 1.192 114 D HN 0.128 nan 8.370 nan 0.000 0.438 115 T N 0.834 115.470 114.554 0.138 0.000 2.817 115 T HA 0.430 4.780 4.350 -0.001 0.000 0.293 115 T C -0.047 174.717 174.700 0.107 0.000 0.964 115 T CA -0.526 61.646 62.100 0.119 0.000 1.085 115 T CB 0.829 69.756 68.868 0.099 0.000 0.921 115 T HN -0.013 nan 8.240 nan 0.000 0.502 116 V N 4.128 124.109 119.914 0.111 0.000 2.709 116 V HA 0.470 4.590 4.120 -0.001 0.000 0.308 116 V C -0.767 175.387 176.094 0.098 0.000 1.062 116 V CA -0.984 61.378 62.300 0.102 0.000 0.901 116 V CB 2.023 33.926 31.823 0.133 0.000 1.003 116 V HN 0.650 nan 8.190 nan 0.000 0.425 117 L N 4.336 125.627 121.223 0.114 0.000 2.276 117 L HA 0.905 5.245 4.340 -0.001 0.000 0.286 117 L C 0.277 177.277 176.870 0.215 0.000 1.024 117 L CA 0.425 55.361 54.840 0.160 0.000 0.826 117 L CB 0.665 42.825 42.059 0.167 0.000 1.211 117 L HN 0.786 nan 8.230 nan 0.000 0.422 118 G N 4.229 113.099 108.800 0.116 0.000 2.619 118 G HA2 0.426 4.386 3.960 -0.001 0.000 0.296 118 G HA3 0.426 4.386 3.960 -0.001 0.000 0.296 118 G C -1.170 173.406 174.900 -0.540 0.000 1.334 118 G CA -0.882 44.181 45.100 -0.062 0.000 0.934 118 G HN 0.592 nan 8.290 nan 0.000 0.476 119 M N 2.441 121.524 119.600 -0.862 0.000 2.217 119 M HA 0.122 4.601 4.480 -0.001 0.000 0.352 119 M C 0.690 176.759 176.300 -0.386 0.000 1.376 119 M CA -0.584 54.100 55.300 -1.026 0.000 1.107 119 M CB 0.295 32.499 32.600 -0.660 0.000 1.723 119 M HN 0.654 nan 8.290 nan 0.000 0.461 120 N N 4.232 122.717 118.700 -0.358 0.000 2.407 120 N HA -0.079 4.660 4.740 -0.001 0.000 0.250 120 N C 0.644 176.108 175.510 -0.077 0.000 1.236 120 N CA 0.141 53.075 53.050 -0.194 0.000 0.879 120 N CB 0.748 39.075 38.487 -0.266 0.000 1.088 120 N HN 0.955 nan 8.380 nan 0.000 0.450 121 L N 4.787 125.983 121.223 -0.044 0.000 1.971 121 L HA -0.225 4.115 4.340 -0.001 0.000 0.215 121 L C 2.391 179.282 176.870 0.035 0.000 1.072 121 L CA 2.283 57.115 54.840 -0.013 0.000 0.758 121 L CB -0.592 41.443 42.059 -0.041 0.000 0.889 121 L HN 0.801 nan 8.230 nan 0.000 0.433 122 A N -1.508 121.350 122.820 0.063 0.000 1.986 122 A HA -0.284 4.036 4.320 -0.001 0.000 0.220 122 A C 1.998 179.664 177.584 0.137 0.000 1.171 122 A CA 1.907 54.006 52.037 0.102 0.000 0.640 122 A CB -1.115 17.970 19.000 0.141 0.000 0.811 122 A HN 0.732 nan 8.150 nan 0.000 0.451 123 H N -1.907 117.142 119.070 -0.035 0.000 2.547 123 H HA 0.221 4.777 4.556 -0.001 0.000 0.266 123 H C 1.554 176.867 175.328 -0.024 0.000 0.988 123 H CA 0.332 56.359 56.048 -0.035 0.000 1.147 123 H CB 0.235 29.962 29.762 -0.058 0.000 1.365 123 H HN 0.678 nan 8.280 nan 0.000 0.589 124 G N 0.220 109.080 108.800 0.099 0.000 2.260 124 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.179 124 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.179 124 G C 0.684 175.678 174.900 0.157 0.000 1.002 124 G CA -0.263 44.902 45.100 0.108 0.000 0.677 124 G HN 0.581 nan 8.290 nan 0.000 0.486 125 G N -0.419 108.445 108.800 0.107 0.000 2.539 125 G HA2 0.498 4.458 3.960 -0.001 0.000 0.258 125 G HA3 0.498 4.458 3.960 -0.001 0.000 0.258 125 G C -0.168 174.785 174.900 0.089 0.000 1.202 125 G CA 0.098 45.298 45.100 0.167 0.000 0.851 125 G HN 0.478 nan 8.290 nan 0.000 0.556 126 H N 0.767 119.731 119.070 -0.176 0.000 2.505 126 H HA 0.182 4.738 4.556 -0.001 0.000 0.355 126 H C 1.335 176.483 175.328 -0.300 0.000 1.179 126 H CA -0.725 55.092 56.048 -0.385 0.000 1.343 126 H CB 1.246 30.564 29.762 -0.739 0.000 1.501 126 H HN 0.291 nan 8.280 nan 0.000 0.569 127 L N 1.593 122.164 121.223 -1.086 0.000 2.021 127 L HA -0.233 4.106 4.340 -0.001 0.000 0.215 127 L C 2.512 179.109 176.870 -0.456 0.000 1.074 127 L CA 2.177 56.614 54.840 -0.672 0.000 0.760 127 L CB -0.560 41.111 42.059 -0.646 0.000 0.889 127 L HN 0.745 nan 8.230 nan 0.000 0.433 128 T N -5.007 109.316 114.554 -0.386 0.000 3.227 128 T HA -0.112 4.238 4.350 -0.001 0.000 0.257 128 T C 0.998 175.832 174.700 0.224 0.000 1.162 128 T CA 0.520 62.563 62.100 -0.096 0.000 1.051 128 T CB -0.663 68.367 68.868 0.269 0.000 0.953 128 T HN 0.496 nan 8.240 nan 0.000 0.535 129 H N 0.037 119.157 119.070 0.085 0.000 2.505 129 H HA 0.457 5.012 4.556 -0.001 0.000 0.289 129 H C 1.626 176.987 175.328 0.054 0.000 1.052 129 H CA -0.315 55.807 56.048 0.122 0.000 1.156 129 H CB 0.333 30.127 29.762 0.054 0.000 1.507 129 H HN 0.560 nan 8.280 nan 0.000 0.548 130 G N 0.560 109.422 108.800 0.103 0.000 2.370 130 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.174 130 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.174 130 G C 0.240 175.120 174.900 -0.033 0.000 1.002 130 G CA -0.067 45.059 45.100 0.044 0.000 0.730 130 G HN 0.303 nan 8.290 nan 0.000 0.497 131 S N 1.980 117.629 115.700 -0.086 0.000 2.552 131 S HA 0.359 4.828 4.470 -0.001 0.000 0.289 131 S C 0.042 174.592 174.600 -0.083 0.000 1.304 131 S CA 0.118 58.262 58.200 -0.094 0.000 1.063 131 S CB 1.186 64.306 63.200 -0.133 0.000 0.848 131 S HN 0.209 nan 8.310 nan 0.000 0.499 132 P HA -0.036 nan 4.420 nan 0.000 0.230 132 P C 1.073 178.349 177.300 -0.041 0.000 1.158 132 P CA 0.852 63.928 63.100 -0.039 0.000 0.769 132 P CB -0.259 31.425 31.700 -0.026 0.000 0.807 133 V N -4.081 115.802 119.914 -0.051 0.000 3.647 133 V HA 0.264 4.384 4.120 -0.001 0.000 0.279 133 V C 0.760 176.824 176.094 -0.050 0.000 1.314 133 V CA -0.307 61.969 62.300 -0.041 0.000 1.125 133 V CB -1.012 30.790 31.823 -0.036 0.000 0.907 133 V HN 0.025 nan 8.190 nan 0.000 0.434 134 N N 0.410 119.053 118.700 -0.095 0.000 2.432 134 N HA 0.255 4.995 4.740 -0.001 0.000 0.292 134 N C 0.915 176.338 175.510 -0.144 0.000 1.193 134 N CA -0.116 52.844 53.050 -0.150 0.000 0.878 134 N CB 2.172 40.479 38.487 -0.300 0.000 1.252 134 N HN 0.165 nan 8.380 nan 0.000 0.520 135 F N 1.441 121.395 119.950 0.007 0.000 2.202 135 F HA -0.128 4.398 4.527 -0.001 0.000 0.301 135 F C 2.337 178.133 175.800 -0.007 0.000 1.082 135 F CA 1.299 59.310 58.000 0.018 0.000 1.313 135 F CB -1.090 37.968 39.000 0.096 0.000 1.024 135 F HN 0.437 nan 8.300 nan 0.000 0.495 136 S N 0.544 115.817 115.700 -0.712 0.000 2.359 136 S HA -0.075 4.394 4.470 -0.001 0.000 0.224 136 S C 2.283 176.870 174.600 -0.021 0.000 1.035 136 S CA 1.040 59.000 58.200 -0.400 0.000 1.018 136 S CB -1.660 61.197 63.200 -0.571 0.000 0.876 136 S HN 0.551 nan 8.310 nan 0.000 0.448 137 G N 1.166 109.917 108.800 -0.081 0.000 2.511 137 G HA2 0.046 4.005 3.960 -0.001 0.000 0.217 137 G HA3 0.046 4.005 3.960 -0.001 0.000 0.217 137 G C 1.527 176.424 174.900 -0.005 0.000 1.133 137 G CA 0.265 45.358 45.100 -0.011 0.000 0.792 137 G HN 0.549 nan 8.290 nan 0.000 0.539 138 K N -0.330 120.057 120.400 -0.021 0.000 2.137 138 K HA 0.237 4.557 4.320 -0.001 0.000 0.202 138 K C 2.160 178.713 176.600 -0.078 0.000 1.052 138 K CA 0.360 56.632 56.287 -0.025 0.000 0.961 138 K CB -0.058 32.442 32.500 0.000 0.000 0.741 138 K HN 0.244 nan 8.250 nan 0.000 0.452 139 L N -0.236 120.887 121.223 -0.167 0.000 2.477 139 L HA 0.082 4.422 4.340 -0.001 0.000 0.220 139 L C 0.144 176.600 176.870 -0.690 0.000 1.106 139 L CA 0.206 54.767 54.840 -0.466 0.000 0.851 139 L CB 0.124 41.766 42.059 -0.694 0.000 0.994 139 L HN 0.040 nan 8.230 nan 0.000 0.462 140 Y N -1.578 118.759 120.300 0.061 0.000 2.602 140 Y HA 0.314 4.864 4.550 -0.001 0.000 0.342 140 Y C 0.062 175.999 175.900 0.062 0.000 1.029 140 Y CA -1.685 56.465 58.100 0.083 0.000 1.080 140 Y CB 0.740 39.291 38.460 0.151 0.000 1.284 140 Y HN -0.234 nan 8.280 nan 0.000 0.485 141 N N 1.665 120.505 118.700 0.235 0.000 2.469 141 N HA 0.239 4.979 4.740 -0.001 0.000 0.239 141 N C -1.487 174.095 175.510 0.119 0.000 1.053 141 N CA -0.066 53.062 53.050 0.130 0.000 0.937 141 N CB 0.028 38.576 38.487 0.102 0.000 1.163 141 N HN 0.412 nan 8.380 nan 0.000 0.509 142 I N 3.673 124.295 120.570 0.088 0.000 2.342 142 I HA 0.232 4.402 4.170 -0.001 0.000 0.291 142 I C -0.101 176.007 176.117 -0.015 0.000 1.010 142 I CA -0.768 60.568 61.300 0.061 0.000 1.308 142 I CB 1.034 39.072 38.000 0.062 0.000 1.400 142 I HN 0.153 nan 8.210 nan 0.000 0.488 143 V N 9.025 128.915 119.914 -0.040 0.000 2.357 143 V HA 0.377 4.496 4.120 -0.001 0.000 0.284 143 V C -2.023 174.045 176.094 -0.044 0.000 1.018 143 V CA -1.379 60.844 62.300 -0.128 0.000 0.841 143 V CB 1.833 33.487 31.823 -0.281 0.000 0.991 143 V HN 0.625 nan 8.190 nan 0.000 0.437 144 P HA 0.481 nan 4.420 nan 0.000 0.281 144 P C -1.787 175.516 177.300 0.004 0.000 1.264 144 P CA -0.402 62.651 63.100 -0.077 0.000 0.824 144 P CB 1.499 33.126 31.700 -0.122 0.000 1.092 145 Y N -2.105 118.132 120.300 -0.105 0.000 2.513 145 Y HA 0.777 5.327 4.550 -0.001 0.000 0.340 145 Y C -0.390 175.410 175.900 -0.166 0.000 1.055 145 Y CA -0.928 57.101 58.100 -0.119 0.000 1.020 145 Y CB 0.888 39.297 38.460 -0.086 0.000 1.301 145 Y HN 0.631 nan 8.280 nan 0.000 0.453 146 G N 2.355 111.171 108.800 0.027 0.000 3.252 146 G HA2 0.664 4.623 3.960 -0.001 0.000 0.181 146 G HA3 0.664 4.623 3.960 -0.001 0.000 0.181 146 G C -0.940 174.094 174.900 0.224 0.000 1.187 146 G CA -0.681 44.423 45.100 0.007 0.000 0.886 146 G HN 1.107 nan 8.290 nan 0.000 0.615 147 I N -2.050 118.765 120.570 0.408 0.000 3.023 147 I HA 0.555 4.725 4.170 -0.001 0.000 0.312 147 I C -0.898 175.294 176.117 0.125 0.000 1.056 147 I CA -0.996 60.393 61.300 0.148 0.000 1.033 147 I CB 2.003 40.039 38.000 0.060 0.000 1.233 147 I HN 0.202 nan 8.210 nan 0.000 0.462 148 D N 1.611 122.063 120.400 0.087 0.000 2.312 148 D HA 0.139 4.779 4.640 -0.001 0.000 0.244 148 D C 1.006 177.342 176.300 0.060 0.000 1.328 148 D CA 0.310 54.359 54.000 0.081 0.000 0.965 148 D CB 0.794 41.656 40.800 0.103 0.000 1.140 148 D HN 0.734 nan 8.370 nan 0.000 0.523 149 A N -0.516 122.336 122.820 0.054 0.000 2.123 149 A HA -0.066 4.254 4.320 -0.001 0.000 0.214 149 A C 1.792 179.403 177.584 0.044 0.000 1.152 149 A CA 1.411 53.469 52.037 0.034 0.000 0.728 149 A CB -0.490 18.528 19.000 0.030 0.000 0.814 149 A HN 0.596 nan 8.150 nan 0.000 0.464 150 T N -4.514 110.092 114.554 0.086 0.000 3.088 150 T HA 0.365 4.714 4.350 -0.001 0.000 0.259 150 T C 1.375 176.192 174.700 0.195 0.000 1.122 150 T CA 1.123 63.311 62.100 0.146 0.000 1.095 150 T CB -0.030 68.945 68.868 0.178 0.000 0.930 150 T HN 1.586 nan 8.240 nan 0.000 0.508 151 G N 0.900 109.753 108.800 0.088 0.000 2.130 151 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.216 151 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.216 151 G C -0.292 174.463 174.900 -0.242 0.000 0.999 151 G CA -0.020 45.030 45.100 -0.083 0.000 0.686 151 G HN 0.799 nan 8.290 nan 0.000 0.515 152 H N -1.184 117.955 119.070 0.115 0.000 2.865 152 H HA 0.660 5.215 4.556 -0.001 0.000 0.372 152 H C 0.617 175.962 175.328 0.028 0.000 1.173 152 H CA -0.936 55.216 56.048 0.174 0.000 1.147 152 H CB 1.084 30.924 29.762 0.129 0.000 1.805 152 H HN 0.184 nan 8.280 nan 0.000 0.553 153 I N 1.305 121.885 120.570 0.016 0.000 2.618 153 I HA -0.030 4.139 4.170 -0.001 0.000 0.284 153 I C 0.070 175.983 176.117 -0.341 0.000 1.146 153 I CA 0.332 61.456 61.300 -0.294 0.000 1.425 153 I CB 0.229 37.853 38.000 -0.626 0.000 1.383 153 I HN 0.560 nan 8.210 nan 0.000 0.562 154 D N 6.087 126.330 120.400 -0.261 0.000 2.456 154 D HA 0.133 4.773 4.640 -0.001 0.000 0.219 154 D C 0.512 176.674 176.300 -0.230 0.000 1.126 154 D CA -0.238 53.674 54.000 -0.147 0.000 0.890 154 D CB 0.400 41.174 40.800 -0.043 0.000 1.025 154 D HN 0.310 nan 8.370 nan 0.000 0.511 155 Y N 2.376 122.642 120.300 -0.057 0.000 2.483 155 Y HA -0.063 4.487 4.550 -0.001 0.000 0.291 155 Y C 2.297 178.159 175.900 -0.063 0.000 1.143 155 Y CA 0.878 58.929 58.100 -0.081 0.000 1.289 155 Y CB -0.225 38.191 38.460 -0.073 0.000 0.983 155 Y HN 0.537 nan 8.280 nan 0.000 0.556 156 A N -0.082 122.782 122.820 0.074 0.000 1.897 156 A HA -0.181 4.138 4.320 -0.001 0.000 0.215 156 A C 1.831 179.419 177.584 0.006 0.000 1.181 156 A CA 1.769 53.830 52.037 0.039 0.000 0.620 156 A CB -0.711 18.309 19.000 0.034 0.000 0.821 156 A HN 0.421 nan 8.150 nan 0.000 0.443 157 D N -0.754 119.637 120.400 -0.015 0.000 2.144 157 D HA -0.124 4.516 4.640 -0.001 0.000 0.200 157 D C 1.766 178.043 176.300 -0.039 0.000 0.978 157 D CA 1.029 55.017 54.000 -0.019 0.000 0.833 157 D CB -0.126 40.664 40.800 -0.017 0.000 0.961 157 D HN 0.210 nan 8.370 nan 0.000 0.470 158 L N 1.007 122.168 121.223 -0.104 0.000 2.042 158 L HA -0.120 4.219 4.340 -0.001 0.000 0.210 158 L C 2.076 178.903 176.870 -0.071 0.000 1.076 158 L CA 1.895 56.634 54.840 -0.169 0.000 0.749 158 L CB -0.680 41.181 42.059 -0.329 0.000 0.893 158 L HN 0.126 nan 8.230 nan 0.000 0.432 159 E N -0.623 119.561 120.200 -0.027 0.000 2.106 159 E HA -0.255 4.095 4.350 -0.001 0.000 0.192 159 E C 2.242 178.845 176.600 0.004 0.000 0.984 159 E CA 1.599 57.999 56.400 0.001 0.000 0.806 159 E CB 0.002 29.712 29.700 0.016 0.000 0.750 159 E HN 0.549 nan 8.360 nan 0.000 0.458 160 K N 0.901 121.303 120.400 0.003 0.000 2.002 160 K HA -0.226 4.094 4.320 -0.001 0.000 0.209 160 K C 1.926 178.534 176.600 0.014 0.000 1.048 160 K CA 1.842 58.131 56.287 0.003 0.000 0.930 160 K CB -1.102 31.400 32.500 0.004 0.000 0.714 160 K HN 0.269 nan 8.250 nan 0.000 0.438 161 Q N -0.615 119.213 119.800 0.047 0.000 2.096 161 Q HA -0.108 4.231 4.340 -0.001 0.000 0.204 161 Q C 2.599 178.685 176.000 0.143 0.000 0.982 161 Q CA 1.478 57.366 55.803 0.142 0.000 0.850 161 Q CB -0.395 28.440 28.738 0.161 0.000 0.901 161 Q HN 0.663 nan 8.270 nan 0.000 0.422 162 A N 1.442 124.307 122.820 0.075 0.000 1.883 162 A HA -0.245 4.075 4.320 -0.001 0.000 0.217 162 A C 2.300 179.913 177.584 0.047 0.000 1.186 162 A CA 2.383 54.460 52.037 0.066 0.000 0.624 162 A CB -0.964 18.056 19.000 0.034 0.000 0.822 162 A HN 0.380 nan 8.150 nan 0.000 0.444 163 K N -0.154 120.257 120.400 0.018 0.000 2.288 163 K HA -0.013 4.307 4.320 -0.001 0.000 0.201 163 K C 1.795 178.376 176.600 -0.031 0.000 1.048 163 K CA 1.677 57.962 56.287 -0.003 0.000 0.956 163 K CB -0.518 31.977 32.500 -0.008 0.000 0.746 163 K HN 0.765 nan 8.250 nan 0.000 0.461 164 E N -1.069 119.091 120.200 -0.068 0.000 2.102 164 E HA -0.055 4.294 4.350 -0.001 0.000 0.190 164 E C 1.607 178.053 176.600 -0.257 0.000 0.971 164 E CA 0.282 56.567 56.400 -0.191 0.000 0.821 164 E CB 0.218 29.736 29.700 -0.303 0.000 0.777 164 E HN 0.759 nan 8.360 nan 0.000 0.460 165 H N -0.400 118.682 119.070 0.020 0.000 2.563 165 H HA 0.098 4.654 4.556 -0.001 0.000 0.264 165 H C 0.580 175.924 175.328 0.026 0.000 0.957 165 H CA 1.071 57.135 56.048 0.027 0.000 1.173 165 H CB 0.612 30.395 29.762 0.036 0.000 1.420 165 H HN 0.065 nan 8.280 nan 0.000 0.551 166 K N 1.440 121.904 120.400 0.106 0.000 3.451 166 K HA -0.130 4.190 4.320 -0.001 0.000 0.273 166 K C -2.516 174.130 176.600 0.077 0.000 0.944 166 K CA 0.799 57.125 56.287 0.066 0.000 0.734 166 K CB -2.795 29.727 32.500 0.036 0.000 1.437 166 K HN 0.427 nan 8.250 nan 0.000 0.454 167 P HA 0.303 nan 4.420 nan 0.000 0.272 167 P C 0.893 178.224 177.300 0.052 0.000 1.223 167 P CA 0.585 63.735 63.100 0.082 0.000 0.784 167 P CB 1.153 32.909 31.700 0.092 0.000 0.923 168 K N 1.758 122.190 120.400 0.053 0.000 2.365 168 K HA 0.124 4.444 4.320 -0.001 0.000 0.197 168 K C 1.202 177.840 176.600 0.063 0.000 1.042 168 K CA 0.946 57.253 56.287 0.034 0.000 0.987 168 K CB -0.077 32.458 32.500 0.058 0.000 0.779 168 K HN 0.709 nan 8.250 nan 0.000 0.484 169 M N -0.178 119.466 119.600 0.075 0.000 2.413 169 M HA 0.559 5.039 4.480 -0.001 0.000 0.287 169 M C -2.113 174.245 176.300 0.097 0.000 1.186 169 M CA -0.779 54.581 55.300 0.100 0.000 0.927 169 M CB 1.996 34.622 32.600 0.043 0.000 1.715 169 M HN 0.040 nan 8.290 nan 0.000 0.478 170 I N 5.232 125.878 120.570 0.126 0.000 2.406 170 I HA 0.443 4.612 4.170 -0.001 0.000 0.290 170 I C -0.812 175.380 176.117 0.124 0.000 0.999 170 I CA -0.733 60.645 61.300 0.130 0.000 1.124 170 I CB 1.945 40.016 38.000 0.118 0.000 1.289 170 I HN 0.647 nan 8.210 nan 0.000 0.441 171 I N 5.170 125.797 120.570 0.096 0.000 2.331 171 I HA 0.470 4.640 4.170 -0.001 0.000 0.292 171 I C 0.594 176.705 176.117 -0.010 0.000 0.998 171 I CA -0.306 60.944 61.300 -0.083 0.000 1.267 171 I CB 1.567 39.418 38.000 -0.247 0.000 1.386 171 I HN 0.605 nan 8.210 nan 0.000 0.476 172 G N 3.417 112.168 108.800 -0.082 0.000 2.452 172 G HA2 0.775 4.735 3.960 -0.001 0.000 0.324 172 G HA3 0.775 4.735 3.960 -0.001 0.000 0.324 172 G C -0.448 174.462 174.900 0.017 0.000 1.214 172 G CA -0.630 44.580 45.100 0.184 0.000 0.947 172 G HN 1.001 nan 8.290 nan 0.000 0.478 173 G N -0.264 108.675 108.800 0.233 0.000 2.339 173 G HA2 0.581 4.541 3.960 -0.001 0.000 0.381 173 G HA3 0.581 4.541 3.960 -0.001 0.000 0.381 173 G C -1.012 174.015 174.900 0.212 0.000 1.400 173 G CA -0.154 44.974 45.100 0.048 0.000 1.002 173 G HN 1.907 nan 8.290 nan 0.000 0.633 174 F N -2.742 117.387 119.950 0.297 0.000 2.807 174 F HA 0.843 5.369 4.527 -0.001 0.000 0.316 174 F C 0.447 176.321 175.800 0.123 0.000 1.162 174 F CA -0.403 57.737 58.000 0.235 0.000 0.910 174 F CB 0.969 40.085 39.000 0.192 0.000 1.314 174 F HN 0.463 nan 8.300 nan 0.000 0.454 175 S N -0.391 115.468 115.700 0.265 0.000 2.524 175 S HA 0.571 5.041 4.470 -0.001 0.000 0.222 175 S C 0.563 175.058 174.600 -0.174 0.000 1.040 175 S CA 0.503 58.687 58.200 -0.027 0.000 0.915 175 S CB 0.820 64.102 63.200 0.136 0.000 0.831 175 S HN 0.995 nan 8.310 nan 0.000 0.492 176 A N 0.938 123.801 122.820 0.071 0.000 3.292 176 A HA 0.552 4.871 4.320 -0.001 0.000 0.231 176 A C -0.974 176.607 177.584 -0.006 0.000 0.952 176 A CA -0.265 51.755 52.037 -0.029 0.000 1.044 176 A CB 0.083 19.058 19.000 -0.042 0.000 1.236 176 A HN 0.324 nan 8.150 nan 0.000 0.525 177 Y N 0.942 121.078 120.300 -0.273 0.000 2.376 177 Y HA 0.476 5.026 4.550 -0.001 0.000 0.340 177 Y C 0.969 176.502 175.900 -0.612 0.000 0.965 177 Y CA -0.628 57.151 58.100 -0.537 0.000 1.078 177 Y CB 2.169 40.133 38.460 -0.826 0.000 1.193 177 Y HN 0.270 nan 8.280 nan 0.000 0.452 178 S N 2.100 117.280 115.700 -0.867 0.000 2.556 178 S HA 0.357 4.827 4.470 -0.001 0.000 0.216 178 S C 0.742 174.928 174.600 -0.690 0.000 0.970 178 S CA 0.122 57.953 58.200 -0.615 0.000 0.912 178 S CB -0.199 62.793 63.200 -0.346 0.000 0.790 178 S HN 0.829 nan 8.310 nan 0.000 0.504 179 G N 0.773 108.744 108.800 -1.382 0.000 2.532 179 G HA2 0.564 4.524 3.960 -0.001 0.000 0.291 179 G HA3 0.564 4.524 3.960 -0.001 0.000 0.291 179 G C -0.996 173.803 174.900 -0.168 0.000 1.349 179 G CA -0.661 44.002 45.100 -0.728 0.000 1.038 179 G HN 0.264 nan 8.290 nan 0.000 0.518 180 V N 0.156 120.064 119.914 -0.009 0.000 2.398 180 V HA 0.331 4.450 4.120 -0.001 0.000 0.286 180 V C 0.059 176.138 176.094 -0.025 0.000 1.026 180 V CA -0.570 61.673 62.300 -0.095 0.000 0.868 180 V CB 1.323 32.968 31.823 -0.297 0.000 0.982 180 V HN 0.427 nan 8.190 nan 0.000 0.443 181 V N 3.598 123.420 119.914 -0.154 0.000 2.546 181 V HA 0.245 4.365 4.120 -0.001 0.000 0.284 181 V C 0.368 176.046 176.094 -0.694 0.000 1.050 181 V CA -0.464 61.632 62.300 -0.340 0.000 0.981 181 V CB 1.663 33.110 31.823 -0.627 0.000 0.990 181 V HN 0.860 nan 8.190 nan 0.000 0.474 182 D N 3.586 123.783 120.400 -0.339 0.000 2.483 182 D HA 0.101 4.741 4.640 -0.001 0.000 0.220 182 D C 0.740 176.893 176.300 -0.245 0.000 1.173 182 D CA -0.153 53.589 54.000 -0.429 0.000 0.964 182 D CB 0.327 40.753 40.800 -0.623 0.000 1.046 182 D HN 0.591 nan 8.370 nan 0.000 0.517 183 W N 2.861 124.131 121.300 -0.051 0.000 2.335 183 W HA -0.220 4.440 4.660 -0.000 0.000 0.311 183 W C 2.426 178.827 176.519 -0.197 0.000 1.213 183 W CA 0.553 57.871 57.345 -0.044 0.000 1.274 183 W CB -0.250 29.236 29.460 0.043 0.000 1.148 183 W HN 0.471 nan 8.180 nan 0.000 0.498 184 A N 0.738 123.381 122.820 -0.294 0.000 1.940 184 A HA -0.253 4.067 4.320 -0.001 0.000 0.219 184 A C 1.893 179.405 177.584 -0.120 0.000 1.176 184 A CA 2.168 53.993 52.037 -0.353 0.000 0.631 184 A CB -0.735 17.986 19.000 -0.466 0.000 0.814 184 A HN 0.170 nan 8.150 nan 0.000 0.446 185 K N -0.167 120.136 120.400 -0.162 0.000 2.057 185 K HA 0.007 4.326 4.320 -0.001 0.000 0.206 185 K C 1.894 178.486 176.600 -0.013 0.000 1.050 185 K CA 1.855 58.051 56.287 -0.151 0.000 0.935 185 K CB -0.452 31.811 32.500 -0.395 0.000 0.715 185 K HN 0.509 nan 8.250 nan 0.000 0.439 186 M N -0.134 119.509 119.600 0.072 0.000 2.229 186 M HA -0.106 4.373 4.480 -0.001 0.000 0.264 186 M C 2.116 178.494 176.300 0.131 0.000 1.063 186 M CA 1.397 56.788 55.300 0.153 0.000 1.114 186 M CB -0.166 32.584 32.600 0.250 0.000 1.387 186 M HN 0.015 nan 8.290 nan 0.000 0.420 187 R N 1.038 121.613 120.500 0.124 0.000 2.092 187 R HA -0.093 4.247 4.340 -0.001 0.000 0.231 187 R C 1.613 177.965 176.300 0.086 0.000 1.119 187 R CA 1.713 57.883 56.100 0.117 0.000 0.970 187 R CB -0.502 29.869 30.300 0.118 0.000 0.864 187 R HN 0.402 nan 8.270 nan 0.000 0.440 188 E N -0.102 120.131 120.200 0.054 0.000 2.038 188 E HA -0.187 4.163 4.350 -0.001 0.000 0.195 188 E C 2.007 178.632 176.600 0.042 0.000 1.000 188 E CA 1.830 58.251 56.400 0.036 0.000 0.803 188 E CB -0.222 29.483 29.700 0.009 0.000 0.750 188 E HN 0.349 nan 8.360 nan 0.000 0.448 189 I N 0.971 121.569 120.570 0.047 0.000 2.208 189 I HA -0.311 3.858 4.170 -0.001 0.000 0.245 189 I C 2.579 178.728 176.117 0.052 0.000 1.097 189 I CA 1.070 62.397 61.300 0.045 0.000 1.363 189 I CB -0.429 37.599 38.000 0.048 0.000 1.051 189 I HN 0.112 nan 8.210 nan 0.000 0.413 190 A N 0.572 123.440 122.820 0.079 0.000 1.877 190 A HA -0.238 4.082 4.320 -0.001 0.000 0.216 190 A C 1.962 179.589 177.584 0.072 0.000 1.186 190 A CA 2.093 54.187 52.037 0.093 0.000 0.620 190 A CB -0.601 18.501 19.000 0.169 0.000 0.822 190 A HN 0.339 nan 8.150 nan 0.000 0.443 191 D N 0.071 120.519 120.400 0.081 0.000 2.144 191 D HA -0.133 4.507 4.640 -0.001 0.000 0.199 191 D C 2.438 178.753 176.300 0.025 0.000 0.984 191 D CA 1.740 55.774 54.000 0.057 0.000 0.834 191 D CB -0.399 40.435 40.800 0.057 0.000 0.955 191 D HN 0.580 nan 8.370 nan 0.000 0.465 192 S N 0.566 116.280 115.700 0.023 0.000 2.419 192 S HA -0.166 4.304 4.470 -0.001 0.000 0.235 192 S C 1.878 176.480 174.600 0.003 0.000 1.019 192 S CA 1.022 59.229 58.200 0.012 0.000 0.982 192 S CB -0.618 62.589 63.200 0.013 0.000 0.789 192 S HN 0.564 nan 8.310 nan 0.000 0.490 193 I N -3.792 116.779 120.570 0.002 0.000 4.081 193 I HA 0.603 4.773 4.170 -0.001 0.000 0.333 193 I C 1.121 177.217 176.117 -0.035 0.000 1.413 193 I CA -0.102 61.192 61.300 -0.010 0.000 1.110 193 I CB -0.113 37.888 38.000 0.002 0.000 1.082 193 I HN 0.278 nan 8.210 nan 0.000 0.402 194 G N 2.038 110.812 108.800 -0.044 0.000 2.198 194 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.260 194 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.260 194 G C 0.286 175.074 174.900 -0.188 0.000 1.025 194 G CA 0.248 45.288 45.100 -0.101 0.000 0.769 194 G HN 0.942 nan 8.290 nan 0.000 0.507 195 A N -0.944 121.799 122.820 -0.129 0.000 2.269 195 A HA 0.817 5.136 4.320 -0.001 0.000 0.319 195 A C -0.139 177.317 177.584 -0.213 0.000 1.110 195 A CA -0.690 51.251 52.037 -0.161 0.000 0.847 195 A CB 0.747 19.734 19.000 -0.021 0.000 1.161 195 A HN 0.544 nan 8.150 nan 0.000 0.497 196 Y N -0.364 119.847 120.300 -0.149 0.000 2.299 196 Y HA 0.424 4.973 4.550 -0.001 0.000 0.326 196 Y C 0.136 176.079 175.900 0.070 0.000 1.164 196 Y CA -0.183 57.751 58.100 -0.277 0.000 1.234 196 Y CB 1.280 39.583 38.460 -0.262 0.000 1.219 196 Y HN 0.490 nan 8.280 nan 0.000 0.497 197 L N 5.824 127.399 121.223 0.586 0.000 2.276 197 L HA 0.438 4.777 4.340 -0.001 0.000 0.286 197 L C -1.534 175.558 176.870 0.370 0.000 1.024 197 L CA -0.599 54.481 54.840 0.401 0.000 0.826 197 L CB -0.024 42.229 42.059 0.324 0.000 1.211 197 L HN 0.424 nan 8.230 nan 0.000 0.422 198 F N 6.560 126.548 119.950 0.064 0.000 2.411 198 F HA 0.662 5.189 4.527 -0.001 0.000 0.352 198 F C -1.110 174.646 175.800 -0.074 0.000 1.123 198 F CA -1.099 56.876 58.000 -0.042 0.000 1.044 198 F CB 1.277 40.189 39.000 -0.146 0.000 1.135 198 F HN 0.168 nan 8.300 nan 0.000 0.461 199 V N 5.923 125.699 119.914 -0.231 0.000 2.417 199 V HA 0.259 4.379 4.120 -0.001 0.000 0.291 199 V C -0.839 174.907 176.094 -0.580 0.000 1.024 199 V CA -0.734 61.260 62.300 -0.510 0.000 0.861 199 V CB 1.583 33.065 31.823 -0.567 0.000 0.985 199 V HN 0.658 nan 8.190 nan 0.000 0.436 200 D N 5.584 125.601 120.400 -0.639 0.000 2.454 200 D HA 0.309 4.949 4.640 -0.001 0.000 0.225 200 D C 0.550 176.676 176.300 -0.290 0.000 1.081 200 D CA -0.495 53.281 54.000 -0.373 0.000 0.864 200 D CB 1.365 42.034 40.800 -0.218 0.000 1.040 200 D HN 0.608 nan 8.370 nan 0.000 0.517 201 M N 1.894 121.324 119.600 -0.283 0.000 2.549 201 M HA 0.417 4.897 4.480 -0.001 0.000 0.273 201 M C 1.306 177.468 176.300 -0.231 0.000 1.213 201 M CA -0.459 54.677 55.300 -0.273 0.000 0.976 201 M CB 0.856 33.294 32.600 -0.270 0.000 1.457 201 M HN 0.132 nan 8.290 nan 0.000 0.485 202 A N 1.045 123.742 122.820 -0.205 0.000 1.909 202 A HA -0.271 4.048 4.320 -0.001 0.000 0.221 202 A C 1.795 179.236 177.584 -0.238 0.000 1.223 202 A CA 2.590 54.499 52.037 -0.213 0.000 0.658 202 A CB -1.322 17.552 19.000 -0.210 0.000 0.831 202 A HN 0.760 nan 8.150 nan 0.000 0.462 203 H N -1.195 117.737 119.070 -0.230 0.000 2.389 203 H HA 0.000 4.556 4.556 -0.001 0.000 0.299 203 H C 1.861 177.034 175.328 -0.259 0.000 1.081 203 H CA 1.959 57.918 56.048 -0.149 0.000 1.345 203 H CB 0.071 29.878 29.762 0.076 0.000 1.393 203 H HN 0.440 nan 8.280 nan 0.000 0.520 204 V N -2.549 117.282 119.914 -0.140 0.000 3.542 204 V HA 0.410 4.530 4.120 -0.001 0.000 0.296 204 V C 2.049 178.089 176.094 -0.089 0.000 1.364 204 V CA 0.522 62.697 62.300 -0.208 0.000 1.118 204 V CB -0.170 31.379 31.823 -0.458 0.000 0.972 204 V HN 0.376 nan 8.190 nan 0.000 0.430 205 A N 2.115 124.897 122.820 -0.063 0.000 1.892 205 A HA -0.080 4.240 4.320 -0.001 0.000 0.218 205 A C 2.336 180.079 177.584 0.265 0.000 1.188 205 A CA 2.425 54.513 52.037 0.085 0.000 0.631 205 A CB -1.379 17.628 19.000 0.012 0.000 0.822 205 A HN 0.748 nan 8.150 nan 0.000 0.447 206 G N -0.379 108.521 108.800 0.168 0.000 2.418 206 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.217 206 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.217 206 G C 1.553 176.567 174.900 0.190 0.000 1.158 206 G CA 1.047 46.314 45.100 0.278 0.000 0.771 206 G HN 0.456 nan 8.290 nan 0.000 0.545 207 L N 0.193 121.459 121.223 0.073 0.000 2.056 207 L HA -0.070 4.269 4.340 -0.001 0.000 0.207 207 L C 2.983 179.987 176.870 0.224 0.000 1.078 207 L CA 0.446 55.346 54.840 0.099 0.000 0.749 207 L CB -0.641 41.479 42.059 0.102 0.000 0.901 207 L HN 0.078 nan 8.230 nan 0.000 0.433 208 V N 0.388 120.473 119.914 0.284 0.000 2.343 208 V HA -0.295 3.825 4.120 -0.001 0.000 0.247 208 V C 2.814 179.094 176.094 0.310 0.000 1.051 208 V CA 1.830 64.348 62.300 0.362 0.000 1.036 208 V CB -0.889 31.177 31.823 0.404 0.000 0.654 208 V HN 0.484 nan 8.190 nan 0.000 0.451 209 A N -0.125 122.880 122.820 0.308 0.000 1.940 209 A HA -0.089 4.231 4.320 -0.001 0.000 0.219 209 A C 2.220 179.892 177.584 0.148 0.000 1.176 209 A CA 2.008 54.105 52.037 0.100 0.000 0.631 209 A CB -0.553 18.482 19.000 0.058 0.000 0.814 209 A HN 0.615 nan 8.150 nan 0.000 0.446 210 A N -2.190 120.755 122.820 0.210 0.000 2.251 210 A HA 0.427 4.746 4.320 -0.001 0.000 0.209 210 A C 1.787 179.444 177.584 0.120 0.000 1.187 210 A CA 1.143 53.277 52.037 0.161 0.000 0.823 210 A CB -0.783 18.269 19.000 0.086 0.000 0.846 210 A HN 1.873 nan 8.150 nan 0.000 0.486 211 G N -1.782 107.104 108.800 0.144 0.000 2.159 211 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.256 211 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.256 211 G C 0.797 175.777 174.900 0.134 0.000 0.977 211 G CA 0.472 45.653 45.100 0.135 0.000 0.652 211 G HN 0.695 nan 8.290 nan 0.000 0.531 212 V N -1.014 118.989 119.914 0.147 0.000 3.306 212 V HA 0.331 4.451 4.120 -0.001 0.000 0.264 212 V C 0.626 176.859 176.094 0.231 0.000 1.149 212 V CA 1.492 63.877 62.300 0.142 0.000 1.143 212 V CB -0.281 31.602 31.823 0.099 0.000 0.767 212 V HN 0.512 nan 8.190 nan 0.000 0.476 213 Y N -0.214 120.170 120.300 0.140 0.000 2.504 213 Y HA 0.522 5.071 4.550 -0.001 0.000 0.344 213 Y C -2.771 173.276 175.900 0.246 0.000 1.023 213 Y CA -3.018 55.195 58.100 0.188 0.000 1.020 213 Y CB 2.113 40.711 38.460 0.230 0.000 1.282 213 Y HN -0.030 nan 8.280 nan 0.000 0.454 214 P HA -0.058 nan 4.420 nan 0.000 0.260 214 P C -0.920 176.779 177.300 0.664 0.000 1.172 214 P CA 0.480 63.774 63.100 0.324 0.000 0.760 214 P CB 0.372 32.131 31.700 0.099 0.000 0.773 215 N N 5.220 124.205 118.700 0.475 0.000 2.430 215 N HA 0.087 4.827 4.740 -0.001 0.000 0.265 215 N C -1.496 174.176 175.510 0.271 0.000 1.100 215 N CA -2.199 51.066 53.050 0.358 0.000 0.961 215 N CB 0.573 39.215 38.487 0.259 0.000 1.075 215 N HN 0.242 nan 8.380 nan 0.000 0.478 216 P HA -0.024 nan 4.420 nan 0.000 0.235 216 P C 1.286 178.464 177.300 -0.205 0.000 1.177 216 P CA 0.241 63.020 63.100 -0.534 0.000 0.785 216 P CB 0.575 31.381 31.700 -1.489 0.000 0.885 217 V N 3.026 122.862 119.914 -0.131 0.000 2.317 217 V HA -0.153 3.966 4.120 -0.001 0.000 0.251 217 V C -0.037 175.998 176.094 -0.098 0.000 1.065 217 V CA 2.722 64.971 62.300 -0.086 0.000 1.049 217 V CB -2.591 29.224 31.823 -0.013 0.000 0.651 217 V HN 0.269 nan 8.190 nan 0.000 0.450 218 P HA -0.058 nan 4.420 nan 0.000 0.245 218 P C 0.782 177.814 177.300 -0.447 0.000 1.212 218 P CA 1.307 64.224 63.100 -0.304 0.000 0.774 218 P CB 0.003 31.489 31.700 -0.357 0.000 0.999 219 H N -1.070 117.996 119.070 -0.005 0.000 2.788 219 H HA 0.375 4.930 4.556 -0.001 0.000 0.262 219 H C 1.017 176.306 175.328 -0.064 0.000 0.968 219 H CA -0.019 56.029 56.048 -0.000 0.000 1.218 219 H CB 0.315 30.140 29.762 0.105 0.000 1.443 219 H HN 0.071 nan 8.280 nan 0.000 0.478 220 A N 0.638 123.466 122.820 0.013 0.000 2.279 220 A HA 0.293 4.613 4.320 -0.001 0.000 0.303 220 A C 0.335 177.888 177.584 -0.051 0.000 1.108 220 A CA -0.348 51.685 52.037 -0.006 0.000 0.830 220 A CB 0.582 19.574 19.000 -0.014 0.000 1.106 220 A HN 0.301 nan 8.150 nan 0.000 0.493 221 H N -0.548 118.588 119.070 0.110 0.000 2.436 221 H HA 0.251 4.807 4.556 -0.001 0.000 0.294 221 H C -0.118 175.248 175.328 0.064 0.000 1.048 221 H CA 1.626 57.739 56.048 0.108 0.000 1.353 221 H CB 0.183 30.054 29.762 0.182 0.000 1.414 221 H HN 0.269 nan 8.280 nan 0.000 0.536 222 V N 0.407 120.430 119.914 0.182 0.000 2.971 222 V HA 0.407 4.527 4.120 -0.001 0.000 0.309 222 V C -0.890 175.305 176.094 0.168 0.000 1.130 222 V CA -0.983 61.380 62.300 0.105 0.000 0.964 222 V CB 2.876 34.678 31.823 -0.035 0.000 1.029 222 V HN -0.146 nan 8.190 nan 0.000 0.427 223 V N 2.118 122.093 119.914 0.102 0.000 2.841 223 V HA 0.848 4.968 4.120 -0.001 0.000 0.310 223 V C -0.082 176.057 176.094 0.075 0.000 1.090 223 V CA -0.325 62.008 62.300 0.053 0.000 0.930 223 V CB 2.499 34.250 31.823 -0.120 0.000 1.014 223 V HN 1.118 nan 8.190 nan 0.000 0.425 224 T N -0.436 114.184 114.554 0.111 0.000 2.901 224 T HA 0.876 5.226 4.350 -0.001 0.000 0.293 224 T C -0.569 174.099 174.700 -0.052 0.000 1.084 224 T CA -0.740 61.411 62.100 0.086 0.000 1.008 224 T CB 2.209 71.238 68.868 0.268 0.000 1.170 224 T HN 0.888 nan 8.240 nan 0.000 0.509 225 T N 0.403 114.914 114.554 -0.072 0.000 2.786 225 T HA 0.634 4.984 4.350 -0.001 0.000 0.316 225 T C -0.803 173.842 174.700 -0.092 0.000 1.503 225 T CA -0.234 61.786 62.100 -0.134 0.000 1.019 225 T CB 1.405 70.131 68.868 -0.237 0.000 1.415 225 T HN 1.257 nan 8.240 nan 0.000 0.496 226 T N -0.316 114.152 114.554 -0.143 0.000 2.936 226 T HA 0.547 4.897 4.350 -0.001 0.000 0.282 226 T C 1.197 175.825 174.700 -0.120 0.000 1.003 226 T CA 0.098 62.120 62.100 -0.131 0.000 1.005 226 T CB 1.164 69.810 68.868 -0.371 0.000 1.097 226 T HN 0.777 nan 8.240 nan 0.000 0.532 227 T N -2.324 112.231 114.554 0.002 0.000 3.054 227 T HA 0.096 4.445 4.350 -0.001 0.000 0.255 227 T C 1.095 175.833 174.700 0.064 0.000 1.035 227 T CA -0.059 62.065 62.100 0.039 0.000 0.941 227 T CB -0.452 68.462 68.868 0.076 0.000 1.026 227 T HN 0.922 nan 8.240 nan 0.000 0.533 228 H N -0.290 118.769 119.070 -0.019 0.000 2.594 228 H HA 0.490 5.045 4.556 -0.001 0.000 0.279 228 H C 0.728 176.028 175.328 -0.047 0.000 1.042 228 H CA -0.562 55.474 56.048 -0.020 0.000 1.177 228 H CB 0.343 30.091 29.762 -0.022 0.000 1.524 228 H HN 0.253 nan 8.280 nan 0.000 0.537 229 K N 1.060 121.283 120.400 -0.296 0.000 3.860 229 K HA 0.065 4.384 4.320 -0.001 0.000 0.165 229 K C 1.883 178.402 176.600 -0.135 0.000 1.146 229 K CA 0.768 56.895 56.287 -0.268 0.000 1.673 229 K CB -0.209 32.007 32.500 -0.472 0.000 2.306 229 K HN 0.145 nan 8.250 nan 0.000 0.504 230 T N 0.338 114.778 114.554 -0.190 0.000 3.007 230 T HA -0.068 4.282 4.350 -0.001 0.000 0.270 230 T C 1.692 176.469 174.700 0.128 0.000 1.107 230 T CA 0.677 62.718 62.100 -0.099 0.000 1.118 230 T CB -0.043 68.663 68.868 -0.270 0.000 0.889 230 T HN 0.053 nan 8.240 nan 0.000 0.506 231 L N 1.023 122.321 121.223 0.125 0.000 2.478 231 L HA 0.512 4.852 4.340 -0.001 0.000 0.223 231 L C 1.858 178.881 176.870 0.255 0.000 1.140 231 L CA 0.481 55.476 54.840 0.258 0.000 0.842 231 L CB -1.213 40.936 42.059 0.149 0.000 0.953 231 L HN 0.550 nan 8.230 nan 0.000 0.452 232 A N -1.443 121.492 122.820 0.192 0.000 2.798 232 A HA -0.140 4.180 4.320 -0.001 0.000 0.282 232 A C 1.133 178.791 177.584 0.123 0.000 1.464 232 A CA 0.875 53.012 52.037 0.168 0.000 0.844 232 A CB -2.414 16.727 19.000 0.235 0.000 1.006 232 A HN 0.562 nan 8.150 nan 0.000 0.577 233 G N -0.897 107.965 108.800 0.103 0.000 2.736 233 G HA2 0.729 4.689 3.960 -0.001 0.000 0.229 233 G HA3 0.729 4.689 3.960 -0.001 0.000 0.229 233 G C -2.319 172.639 174.900 0.097 0.000 1.380 233 G CA -0.660 44.488 45.100 0.080 0.000 1.040 233 G HN 0.411 nan 8.290 nan 0.000 0.568 234 P HA 0.215 nan 4.420 nan 0.000 0.274 234 P C -0.729 176.608 177.300 0.063 0.000 1.246 234 P CA -0.383 62.742 63.100 0.041 0.000 0.795 234 P CB 0.983 32.682 31.700 -0.001 0.000 1.006 235 R N 0.645 121.109 120.500 -0.059 0.000 2.351 235 R HA 0.571 4.910 4.340 -0.001 0.000 0.318 235 R C 0.765 177.030 176.300 -0.058 0.000 1.055 235 R CA 0.147 56.089 56.100 -0.264 0.000 0.968 235 R CB -0.149 29.874 30.300 -0.461 0.000 0.974 235 R HN 0.768 nan 8.270 nan 0.000 0.439 236 G N 0.771 109.658 108.800 0.146 0.000 2.356 236 G HA2 0.450 4.409 3.960 -0.001 0.000 0.294 236 G HA3 0.450 4.409 3.960 -0.001 0.000 0.294 236 G C -1.273 173.717 174.900 0.151 0.000 1.423 236 G CA -0.508 44.660 45.100 0.113 0.000 0.806 236 G HN 0.642 nan 8.290 nan 0.000 0.527 237 G N -1.611 107.247 108.800 0.098 0.000 2.597 237 G HA2 0.831 4.790 3.960 -0.001 0.000 0.317 237 G HA3 0.831 4.790 3.960 -0.001 0.000 0.317 237 G C -1.654 173.269 174.900 0.038 0.000 1.230 237 G CA -0.699 44.446 45.100 0.076 0.000 0.996 237 G HN 1.351 nan 8.290 nan 0.000 0.490 238 L N -0.572 120.663 121.223 0.020 0.000 2.545 238 L HA 0.614 4.954 4.340 -0.001 0.000 0.258 238 L C -1.279 175.583 176.870 -0.013 0.000 0.942 238 L CA -0.496 54.338 54.840 -0.009 0.000 0.855 238 L CB 2.066 44.106 42.059 -0.031 0.000 1.374 238 L HN 0.494 nan 8.230 nan 0.000 0.411 239 I N 4.996 125.556 120.570 -0.016 0.000 2.433 239 I HA 0.573 4.743 4.170 -0.001 0.000 0.292 239 I C -0.953 175.153 176.117 -0.019 0.000 1.001 239 I CA -0.593 60.719 61.300 0.020 0.000 1.119 239 I CB 1.775 39.834 38.000 0.100 0.000 1.289 239 I HN 0.419 nan 8.210 nan 0.000 0.438 240 L N 5.340 126.565 121.223 0.004 0.000 2.371 240 L HA 0.973 5.312 4.340 -0.001 0.000 0.262 240 L C -0.513 176.407 176.870 0.084 0.000 1.006 240 L CA -0.578 54.260 54.840 -0.003 0.000 0.818 240 L CB 2.175 44.171 42.059 -0.105 0.000 1.354 240 L HN 0.732 nan 8.230 nan 0.000 0.415 241 A N 1.904 124.790 122.820 0.110 0.000 2.608 241 A HA 0.789 5.108 4.320 -0.001 0.000 0.292 241 A C -1.716 175.940 177.584 0.120 0.000 1.066 241 A CA -0.629 51.475 52.037 0.111 0.000 0.676 241 A CB 2.280 21.348 19.000 0.114 0.000 1.277 241 A HN 0.606 nan 8.150 nan 0.000 0.413 242 K N -0.060 120.431 120.400 0.152 0.000 2.525 242 K HA 0.531 4.851 4.320 -0.001 0.000 0.254 242 K C 0.534 177.226 176.600 0.153 0.000 0.934 242 K CA 0.217 56.593 56.287 0.148 0.000 0.802 242 K CB 1.649 34.187 32.500 0.062 0.000 1.295 242 K HN 2.381 nan 8.250 nan 0.000 0.433 243 G N 1.707 110.602 108.800 0.159 0.000 2.168 243 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.257 243 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.257 243 G C 0.287 175.210 174.900 0.039 0.000 0.997 243 G CA 0.292 45.441 45.100 0.082 0.000 0.708 243 G HN 0.864 nan 8.290 nan 0.000 0.520 244 G N -0.382 108.450 108.800 0.053 0.000 2.547 244 G HA2 0.716 4.676 3.960 -0.001 0.000 0.291 244 G HA3 0.716 4.676 3.960 -0.001 0.000 0.291 244 G C 0.574 175.126 174.900 -0.580 0.000 1.211 244 G CA 0.683 45.643 45.100 -0.233 0.000 0.950 244 G HN 1.478 nan 8.290 nan 0.000 0.504 245 S N -1.605 113.776 115.700 -0.533 0.000 2.652 245 S HA 0.508 4.978 4.470 -0.001 0.000 0.270 245 S C 1.481 175.694 174.600 -0.645 0.000 1.243 245 S CA 0.597 58.532 58.200 -0.441 0.000 0.999 245 S CB 1.278 64.338 63.200 -0.233 0.000 0.973 245 S HN 1.025 nan 8.310 nan 0.000 0.544 246 E N 0.503 120.491 120.200 -0.354 0.000 2.153 246 E HA -0.041 4.309 4.350 -0.001 0.000 0.194 246 E C 2.234 178.725 176.600 -0.181 0.000 0.988 246 E CA 1.933 58.198 56.400 -0.224 0.000 0.811 246 E CB -1.963 27.686 29.700 -0.085 0.000 0.746 246 E HN 0.985 nan 8.360 nan 0.000 0.466 247 E N 0.292 120.390 120.200 -0.171 0.000 2.051 247 E HA -0.009 4.341 4.350 -0.001 0.000 0.192 247 E C 2.194 178.712 176.600 -0.138 0.000 0.991 247 E CA 1.491 57.821 56.400 -0.117 0.000 0.799 247 E CB -0.877 28.768 29.700 -0.091 0.000 0.748 247 E HN 0.566 nan 8.360 nan 0.000 0.449 248 L N -0.282 120.814 121.223 -0.211 0.000 2.042 248 L HA -0.132 4.208 4.340 -0.001 0.000 0.210 248 L C 2.450 179.238 176.870 -0.136 0.000 1.076 248 L CA 1.974 56.699 54.840 -0.191 0.000 0.749 248 L CB -0.682 41.243 42.059 -0.224 0.000 0.893 248 L HN 0.444 nan 8.230 nan 0.000 0.432 249 Y N 0.583 120.686 120.300 -0.328 0.000 2.293 249 Y HA -0.112 4.437 4.550 -0.001 0.000 0.291 249 Y C 2.778 178.503 175.900 -0.292 0.000 1.137 249 Y CA 1.371 59.153 58.100 -0.530 0.000 1.202 249 Y CB -1.606 36.581 38.460 -0.455 0.000 0.990 249 Y HN 0.335 nan 8.280 nan 0.000 0.537 250 K N 1.071 121.463 120.400 -0.014 0.000 2.057 250 K HA -0.158 4.162 4.320 -0.001 0.000 0.206 250 K C 2.011 178.594 176.600 -0.027 0.000 1.050 250 K CA 1.682 57.960 56.287 -0.015 0.000 0.935 250 K CB -0.773 31.720 32.500 -0.013 0.000 0.715 250 K HN 0.393 nan 8.250 nan 0.000 0.439 251 K N 0.068 120.435 120.400 -0.055 0.000 2.032 251 K HA 0.011 4.331 4.320 -0.001 0.000 0.209 251 K C 2.297 178.862 176.600 -0.058 0.000 1.048 251 K CA 1.495 57.746 56.287 -0.061 0.000 0.927 251 K CB -0.405 32.039 32.500 -0.093 0.000 0.712 251 K HN 0.298 nan 8.250 nan 0.000 0.441 252 L N 1.211 122.382 121.223 -0.087 0.000 2.012 252 L HA -0.232 4.107 4.340 -0.001 0.000 0.210 252 L C 2.077 178.980 176.870 0.055 0.000 1.073 252 L CA 1.055 55.862 54.840 -0.055 0.000 0.748 252 L CB -0.566 41.413 42.059 -0.133 0.000 0.891 252 L HN 0.226 nan 8.230 nan 0.000 0.431 253 N N -0.388 118.344 118.700 0.054 0.000 2.120 253 N HA -0.147 4.593 4.740 -0.001 0.000 0.188 253 N C 2.041 177.680 175.510 0.215 0.000 1.024 253 N CA 1.543 54.636 53.050 0.072 0.000 0.852 253 N CB -0.258 38.091 38.487 -0.229 0.000 1.003 253 N HN 0.157 nan 8.380 nan 0.000 0.424 254 S N 0.472 116.242 115.700 0.117 0.000 2.402 254 S HA 0.018 4.488 4.470 -0.001 0.000 0.229 254 S C 2.020 176.656 174.600 0.061 0.000 1.021 254 S CA 0.880 59.137 58.200 0.095 0.000 0.974 254 S CB -0.189 63.031 63.200 0.032 0.000 0.800 254 S HN 0.491 nan 8.310 nan 0.000 0.484 255 A N 1.019 123.866 122.820 0.045 0.000 1.933 255 A HA -0.031 4.289 4.320 -0.001 0.000 0.218 255 A C 2.288 179.927 177.584 0.093 0.000 1.175 255 A CA 1.344 53.396 52.037 0.024 0.000 0.628 255 A CB -0.724 18.256 19.000 -0.032 0.000 0.814 255 A HN 0.349 nan 8.150 nan 0.000 0.444 256 V N -2.341 117.666 119.914 0.155 0.000 2.283 256 V HA 0.044 4.164 4.120 -0.001 0.000 0.243 256 V C 0.841 177.085 176.094 0.249 0.000 1.039 256 V CA 1.732 64.151 62.300 0.197 0.000 1.016 256 V CB -0.496 31.473 31.823 0.243 0.000 0.650 256 V HN 0.546 nan 8.190 nan 0.000 0.449 257 F N 1.223 121.257 119.950 0.141 0.000 2.588 257 F HA 0.551 5.078 4.527 -0.001 0.000 0.314 257 F C -2.497 173.378 175.800 0.125 0.000 1.134 257 F CA -2.092 55.960 58.000 0.086 0.000 0.961 257 F CB 2.173 41.175 39.000 0.003 0.000 1.239 257 F HN -0.127 nan 8.300 nan 0.000 0.448 258 P HA 0.160 nan 4.420 nan 0.000 0.255 258 P C 0.977 178.069 177.300 -0.347 0.000 1.301 258 P CA 0.626 63.045 63.100 -1.136 0.000 0.817 258 P CB 0.305 31.334 31.700 -1.119 0.000 1.259 259 G N 1.323 110.033 108.800 -0.151 0.000 2.511 259 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.216 259 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.216 259 G C 1.471 176.418 174.900 0.079 0.000 1.218 259 G CA 1.034 46.123 45.100 -0.020 0.000 0.788 259 G HN 0.403 nan 8.290 nan 0.000 0.560 260 G N -1.459 107.429 108.800 0.146 0.000 3.079 260 G HA2 0.448 4.408 3.960 -0.001 0.000 0.233 260 G HA3 0.448 4.408 3.960 -0.001 0.000 0.233 260 G C 0.563 175.519 174.900 0.093 0.000 1.062 260 G CA -0.070 45.142 45.100 0.187 0.000 0.809 260 G HN 0.466 nan 8.290 nan 0.000 0.535 261 Q N -1.255 118.627 119.800 0.137 0.000 2.528 261 Q HA 0.595 4.935 4.340 -0.001 0.000 0.289 261 Q C 0.259 176.447 176.000 0.314 0.000 1.091 261 Q CA -0.682 55.216 55.803 0.158 0.000 0.797 261 Q CB 2.167 30.908 28.738 0.006 0.000 1.466 261 Q HN 0.124 nan 8.270 nan 0.000 0.436 262 G N -0.350 108.630 108.800 0.299 0.000 3.441 262 G HA2 0.492 4.452 3.960 -0.001 0.000 0.195 262 G HA3 0.492 4.452 3.960 -0.001 0.000 0.195 262 G C -0.198 174.816 174.900 0.190 0.000 1.633 262 G CA -0.074 45.236 45.100 0.350 0.000 0.895 262 G HN 0.562 nan 8.290 nan 0.000 0.654 263 G N 1.391 110.309 108.800 0.197 0.000 2.432 263 G HA2 0.526 4.486 3.960 -0.001 0.000 0.257 263 G HA3 0.526 4.486 3.960 -0.001 0.000 0.257 263 G C -2.136 172.739 174.900 -0.042 0.000 1.238 263 G CA -0.499 44.590 45.100 -0.018 0.000 0.838 263 G HN 0.409 nan 8.290 nan 0.000 0.547 264 P HA 0.236 nan 4.420 nan 0.000 0.276 264 P C -0.344 176.949 177.300 -0.011 0.000 1.252 264 P CA -0.537 62.559 63.100 -0.007 0.000 0.802 264 P CB 1.463 33.095 31.700 -0.113 0.000 1.035 265 L N 2.257 123.502 121.223 0.038 0.000 2.352 265 L HA 0.176 4.516 4.340 -0.001 0.000 0.272 265 L C 1.867 178.705 176.870 -0.053 0.000 1.109 265 L CA -0.575 54.247 54.840 -0.030 0.000 0.952 265 L CB 0.077 42.026 42.059 -0.184 0.000 1.314 265 L HN 0.218 nan 8.230 nan 0.000 0.427 266 M N 0.674 120.303 119.600 0.049 0.000 2.202 266 M HA -0.185 4.295 4.480 -0.001 0.000 0.262 266 M C 2.182 178.522 176.300 0.067 0.000 1.063 266 M CA 1.858 57.180 55.300 0.036 0.000 1.097 266 M CB -1.150 31.464 32.600 0.023 0.000 1.382 266 M HN 0.691 nan 8.290 nan 0.000 0.413 267 H N -1.857 117.182 119.070 -0.052 0.000 2.389 267 H HA 0.028 4.584 4.556 -0.000 0.000 0.299 267 H C 1.967 177.279 175.328 -0.027 0.000 1.081 267 H CA 0.997 57.021 56.048 -0.039 0.000 1.345 267 H CB -0.715 29.019 29.762 -0.047 0.000 1.393 267 H HN 0.138 nan 8.280 nan 0.000 0.520 268 V N 1.310 120.945 119.914 -0.465 0.000 2.453 268 V HA -0.166 3.953 4.120 -0.001 0.000 0.247 268 V C 2.470 178.488 176.094 -0.126 0.000 1.048 268 V CA 1.463 63.582 62.300 -0.302 0.000 1.049 268 V CB -0.386 31.231 31.823 -0.345 0.000 0.672 268 V HN 0.432 nan 8.190 nan 0.000 0.457 269 I N 0.631 121.143 120.570 -0.097 0.000 2.361 269 I HA -0.216 3.954 4.170 -0.001 0.000 0.251 269 I C 2.620 178.722 176.117 -0.024 0.000 1.133 269 I CA 1.326 62.600 61.300 -0.044 0.000 1.413 269 I CB -0.498 37.483 38.000 -0.032 0.000 1.073 269 I HN 0.296 nan 8.210 nan 0.000 0.424 270 A N 0.911 123.721 122.820 -0.016 0.000 1.930 270 A HA -0.098 4.222 4.320 -0.001 0.000 0.217 270 A C 2.440 180.020 177.584 -0.007 0.000 1.175 270 A CA 1.758 53.794 52.037 -0.001 0.000 0.627 270 A CB -1.278 17.732 19.000 0.016 0.000 0.815 270 A HN 0.445 nan 8.150 nan 0.000 0.443 271 G N -0.210 108.581 108.800 -0.016 0.000 2.422 271 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.218 271 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.218 271 G C 1.657 176.551 174.900 -0.010 0.000 1.146 271 G CA 1.054 46.146 45.100 -0.012 0.000 0.769 271 G HN 0.582 nan 8.290 nan 0.000 0.547 272 K N 0.611 121.003 120.400 -0.013 0.000 2.097 272 K HA 0.062 4.382 4.320 -0.001 0.000 0.206 272 K C 2.946 179.538 176.600 -0.013 0.000 1.049 272 K CA 0.918 57.201 56.287 -0.005 0.000 0.933 272 K CB -0.209 32.289 32.500 -0.002 0.000 0.717 272 K HN 0.263 nan 8.250 nan 0.000 0.442 273 A N 1.070 123.881 122.820 -0.015 0.000 1.883 273 A HA -0.156 4.164 4.320 -0.001 0.000 0.217 273 A C 2.332 179.899 177.584 -0.029 0.000 1.186 273 A CA 1.720 53.745 52.037 -0.019 0.000 0.624 273 A CB -0.849 18.143 19.000 -0.012 0.000 0.822 273 A HN 0.173 nan 8.150 nan 0.000 0.444 274 V N -0.409 119.490 119.914 -0.024 0.000 2.548 274 V HA -0.058 4.062 4.120 -0.001 0.000 0.249 274 V C 2.718 178.784 176.094 -0.046 0.000 1.055 274 V CA 2.036 64.319 62.300 -0.029 0.000 1.065 274 V CB -0.609 31.205 31.823 -0.015 0.000 0.681 274 V HN 0.599 nan 8.190 nan 0.000 0.462 275 A N -0.251 122.545 122.820 -0.041 0.000 1.898 275 A HA -0.097 4.222 4.320 -0.001 0.000 0.216 275 A C 2.117 179.624 177.584 -0.128 0.000 1.181 275 A CA 1.887 53.887 52.037 -0.061 0.000 0.620 275 A CB -0.539 18.447 19.000 -0.022 0.000 0.819 275 A HN 0.562 nan 8.150 nan 0.000 0.442 276 L N -0.757 120.405 121.223 -0.102 0.000 2.141 276 L HA -0.159 4.181 4.340 -0.001 0.000 0.209 276 L C 2.587 179.350 176.870 -0.178 0.000 1.094 276 L CA 1.729 56.486 54.840 -0.139 0.000 0.763 276 L CB -0.340 41.674 42.059 -0.074 0.000 0.908 276 L HN 0.476 nan 8.230 nan 0.000 0.437 277 K N 0.538 120.860 120.400 -0.130 0.000 2.103 277 K HA -0.150 4.170 4.320 -0.001 0.000 0.204 277 K C 1.846 178.357 176.600 -0.148 0.000 1.052 277 K CA 1.095 57.312 56.287 -0.117 0.000 0.945 277 K CB 0.117 32.575 32.500 -0.071 0.000 0.722 277 K HN 0.318 nan 8.250 nan 0.000 0.443 278 E N 0.068 120.171 120.200 -0.163 0.000 2.153 278 E HA -0.151 4.199 4.350 -0.001 0.000 0.194 278 E C 1.725 178.106 176.600 -0.364 0.000 0.988 278 E CA 0.892 57.190 56.400 -0.172 0.000 0.811 278 E CB -0.041 29.588 29.700 -0.118 0.000 0.746 278 E HN 0.392 nan 8.360 nan 0.000 0.466 279 A N 0.521 122.957 122.820 -0.639 0.000 2.209 279 A HA -0.053 4.267 4.320 -0.001 0.000 0.212 279 A C 1.913 179.140 177.584 -0.596 0.000 1.158 279 A CA 0.746 51.993 52.037 -1.317 0.000 0.742 279 A CB -0.286 18.047 19.000 -1.112 0.000 0.790 279 A HN 0.145 nan 8.150 nan 0.000 0.472 280 M N -0.246 119.175 119.600 -0.297 0.000 2.509 280 M HA 0.071 4.551 4.480 -0.001 0.000 0.250 280 M C -0.097 176.184 176.300 -0.031 0.000 1.132 280 M CA 0.162 55.382 55.300 -0.133 0.000 1.080 280 M CB 0.160 32.690 32.600 -0.117 0.000 1.408 280 M HN 0.156 nan 8.290 nan 0.000 0.484 281 E N 0.921 121.115 120.200 -0.010 0.000 2.415 281 E HA -0.006 4.344 4.350 -0.001 0.000 0.262 281 E C -1.765 174.910 176.600 0.126 0.000 1.038 281 E CA -1.223 55.211 56.400 0.058 0.000 0.921 281 E CB 0.042 29.785 29.700 0.072 0.000 0.950 281 E HN 0.017 nan 8.360 nan 0.000 0.438 282 P HA -0.115 nan 4.420 nan 0.000 0.217 282 P C 0.603 177.981 177.300 0.131 0.000 1.150 282 P CA 1.126 64.287 63.100 0.102 0.000 0.832 282 P CB 0.353 32.094 31.700 0.068 0.000 0.787 283 E N -1.498 118.783 120.200 0.134 0.000 2.204 283 E HA -0.166 4.184 4.350 -0.001 0.000 0.195 283 E C 1.605 178.329 176.600 0.208 0.000 0.990 283 E CA 0.781 57.266 56.400 0.141 0.000 0.821 283 E CB -1.127 28.642 29.700 0.114 0.000 0.750 283 E HN 0.262 nan 8.360 nan 0.000 0.477 284 F N 1.457 121.466 119.950 0.097 0.000 2.186 284 F HA -0.090 4.437 4.527 -0.001 0.000 0.299 284 F C 2.047 177.957 175.800 0.184 0.000 1.090 284 F CA 1.347 59.442 58.000 0.158 0.000 1.307 284 F CB 0.106 39.163 39.000 0.095 0.000 1.019 284 F HN -0.141 nan 8.300 nan 0.000 0.489 285 K N -0.330 120.189 120.400 0.197 0.000 2.057 285 K HA -0.165 4.155 4.320 -0.001 0.000 0.206 285 K C 2.131 178.741 176.600 0.017 0.000 1.050 285 K CA 1.866 58.204 56.287 0.086 0.000 0.935 285 K CB -0.409 32.158 32.500 0.112 0.000 0.715 285 K HN 0.415 nan 8.250 nan 0.000 0.439 286 T N -1.540 113.048 114.554 0.057 0.000 2.915 286 T HA -0.185 4.165 4.350 -0.001 0.000 0.269 286 T C 1.865 176.582 174.700 0.029 0.000 1.071 286 T CA 0.921 63.047 62.100 0.043 0.000 1.132 286 T CB -0.494 68.414 68.868 0.067 0.000 0.878 286 T HN 0.374 nan 8.240 nan 0.000 0.479 287 Y N 2.227 122.471 120.300 -0.093 0.000 2.163 287 Y HA -0.044 4.506 4.550 -0.000 0.000 0.288 287 Y C 2.552 178.346 175.900 -0.177 0.000 1.136 287 Y CA 1.422 59.441 58.100 -0.134 0.000 1.147 287 Y CB -0.579 37.762 38.460 -0.197 0.000 0.987 287 Y HN 0.085 nan 8.280 nan 0.000 0.509 288 Q N 0.611 120.057 119.800 -0.591 0.000 2.170 288 Q HA -0.205 4.135 4.340 -0.001 0.000 0.203 288 Q C 2.176 177.995 176.000 -0.303 0.000 0.976 288 Q CA 1.839 57.294 55.803 -0.581 0.000 0.858 288 Q CB -0.417 28.092 28.738 -0.382 0.000 0.907 288 Q HN 0.706 nan 8.270 nan 0.000 0.433 289 Q N -0.158 119.537 119.800 -0.175 0.000 2.079 289 Q HA -0.149 4.191 4.340 -0.001 0.000 0.200 289 Q C 2.145 178.096 176.000 -0.082 0.000 0.974 289 Q CA 0.874 56.628 55.803 -0.082 0.000 0.840 289 Q CB 0.036 28.754 28.738 -0.033 0.000 0.898 289 Q HN 0.281 nan 8.270 nan 0.000 0.430 290 Q N 0.056 119.798 119.800 -0.097 0.000 2.124 290 Q HA -0.120 4.219 4.340 -0.001 0.000 0.202 290 Q C 2.241 178.190 176.000 -0.086 0.000 0.977 290 Q CA 0.986 56.755 55.803 -0.056 0.000 0.850 290 Q CB -0.209 28.526 28.738 -0.004 0.000 0.901 290 Q HN 0.255 nan 8.270 nan 0.000 0.429 291 V N 0.990 120.776 119.914 -0.213 0.000 2.255 291 V HA -0.311 3.809 4.120 -0.001 0.000 0.247 291 V C 2.390 178.449 176.094 -0.059 0.000 1.051 291 V CA 2.011 64.198 62.300 -0.189 0.000 1.018 291 V CB -1.091 30.512 31.823 -0.366 0.000 0.641 291 V HN 0.362 nan 8.190 nan 0.000 0.445 292 A N 0.012 122.803 122.820 -0.049 0.000 1.902 292 A HA -0.203 4.117 4.320 -0.001 0.000 0.217 292 A C 2.469 180.061 177.584 0.014 0.000 1.181 292 A CA 2.671 54.717 52.037 0.015 0.000 0.623 292 A CB -0.767 18.250 19.000 0.027 0.000 0.818 292 A HN 0.538 nan 8.150 nan 0.000 0.443 293 K N 0.120 120.519 120.400 -0.003 0.000 2.057 293 K HA -0.191 4.129 4.320 -0.001 0.000 0.207 293 K C 1.772 178.379 176.600 0.012 0.000 1.049 293 K CA 1.937 58.225 56.287 0.002 0.000 0.931 293 K CB -1.164 31.335 32.500 -0.001 0.000 0.714 293 K HN 0.573 nan 8.250 nan 0.000 0.440 294 N N 0.428 119.140 118.700 0.020 0.000 2.223 294 N HA -0.040 4.700 4.740 -0.001 0.000 0.185 294 N C 2.077 177.628 175.510 0.068 0.000 1.016 294 N CA 1.516 54.593 53.050 0.044 0.000 0.863 294 N CB -0.373 38.148 38.487 0.057 0.000 0.983 294 N HN 0.544 nan 8.380 nan 0.000 0.429 295 A N 1.314 124.179 122.820 0.076 0.000 1.902 295 A HA -0.119 4.200 4.320 -0.001 0.000 0.217 295 A C 2.158 179.774 177.584 0.054 0.000 1.181 295 A CA 1.287 53.405 52.037 0.134 0.000 0.623 295 A CB -0.305 18.774 19.000 0.132 0.000 0.818 295 A HN 0.223 nan 8.150 nan 0.000 0.443 296 K N -0.338 120.065 120.400 0.006 0.000 2.057 296 K HA -0.035 4.285 4.320 -0.001 0.000 0.206 296 K C 2.322 178.889 176.600 -0.055 0.000 1.050 296 K CA 1.048 57.307 56.287 -0.047 0.000 0.935 296 K CB -0.328 32.154 32.500 -0.030 0.000 0.715 296 K HN 0.429 nan 8.250 nan 0.000 0.439 297 A N 1.345 124.153 122.820 -0.019 0.000 1.908 297 A HA -0.191 4.129 4.320 -0.001 0.000 0.218 297 A C 2.120 179.697 177.584 -0.013 0.000 1.181 297 A CA 1.625 53.651 52.037 -0.019 0.000 0.627 297 A CB -0.473 18.522 19.000 -0.007 0.000 0.818 297 A HN 0.204 nan 8.150 nan 0.000 0.445 298 M N -0.874 118.742 119.600 0.027 0.000 2.175 298 M HA -0.102 4.377 4.480 -0.001 0.000 0.264 298 M C 2.076 178.379 176.300 0.005 0.000 1.063 298 M CA 1.129 56.493 55.300 0.107 0.000 1.119 298 M CB -0.371 32.408 32.600 0.299 0.000 1.377 298 M HN 0.260 nan 8.290 nan 0.000 0.415 299 V N 0.577 120.306 119.914 -0.308 0.000 2.343 299 V HA -0.254 3.865 4.120 -0.001 0.000 0.247 299 V C 2.017 178.019 176.094 -0.154 0.000 1.051 299 V CA 1.857 63.864 62.300 -0.488 0.000 1.036 299 V CB -0.769 30.731 31.823 -0.538 0.000 0.654 299 V HN 0.478 nan 8.190 nan 0.000 0.451 300 E N 0.005 120.146 120.200 -0.098 0.000 2.033 300 E HA -0.229 4.121 4.350 -0.001 0.000 0.199 300 E C 2.253 178.840 176.600 -0.022 0.000 1.011 300 E CA 1.946 58.314 56.400 -0.052 0.000 0.815 300 E CB -0.350 29.322 29.700 -0.048 0.000 0.755 300 E HN 0.449 nan 8.360 nan 0.000 0.451 301 V N 0.714 120.614 119.914 -0.024 0.000 2.282 301 V HA -0.277 3.843 4.120 -0.001 0.000 0.249 301 V C 2.042 178.099 176.094 -0.061 0.000 1.057 301 V CA 1.902 64.164 62.300 -0.062 0.000 1.032 301 V CB -0.629 31.122 31.823 -0.120 0.000 0.645 301 V HN 0.211 nan 8.190 nan 0.000 0.447 302 F N -0.356 119.555 119.950 -0.066 0.000 2.126 302 F HA -0.174 4.352 4.527 -0.001 0.000 0.299 302 F C 2.162 178.006 175.800 0.074 0.000 1.096 302 F CA 1.625 59.623 58.000 -0.002 0.000 1.255 302 F CB -0.428 38.525 39.000 -0.078 0.000 0.997 302 F HN 0.056 nan 8.300 nan 0.000 0.479 303 L N -0.586 120.733 121.223 0.160 0.000 2.027 303 L HA -0.191 4.149 4.340 -0.001 0.000 0.206 303 L C 2.325 179.230 176.870 0.059 0.000 1.074 303 L CA 1.411 56.305 54.840 0.090 0.000 0.745 303 L CB -0.698 41.373 42.059 0.021 0.000 0.898 303 L HN 0.134 nan 8.230 nan 0.000 0.433 304 E N -0.118 120.100 120.200 0.030 0.000 2.085 304 E HA -0.186 4.164 4.350 -0.001 0.000 0.194 304 E C 2.003 178.615 176.600 0.019 0.000 0.994 304 E CA 0.759 57.165 56.400 0.009 0.000 0.801 304 E CB 0.033 29.726 29.700 -0.012 0.000 0.743 304 E HN 0.281 nan 8.360 nan 0.000 0.453 305 R N -0.317 120.211 120.500 0.048 0.000 2.339 305 R HA 0.006 4.346 4.340 -0.001 0.000 0.199 305 R C 1.021 177.369 176.300 0.079 0.000 1.018 305 R CA 0.784 56.935 56.100 0.085 0.000 1.036 305 R CB 0.010 30.374 30.300 0.107 0.000 0.899 305 R HN 0.338 nan 8.270 nan 0.000 0.473 306 G N 0.457 109.282 108.800 0.041 0.000 2.142 306 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.225 306 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.225 306 G C -0.484 174.299 174.900 -0.195 0.000 1.015 306 G CA -0.176 44.873 45.100 -0.085 0.000 0.716 306 G HN 0.303 nan 8.290 nan 0.000 0.508 307 Y N -0.249 120.097 120.300 0.078 0.000 2.387 307 Y HA 0.561 5.111 4.550 -0.001 0.000 0.330 307 Y C 0.777 176.732 175.900 0.091 0.000 1.133 307 Y CA -0.833 57.343 58.100 0.128 0.000 1.152 307 Y CB 1.322 39.957 38.460 0.293 0.000 1.215 307 Y HN 0.086 nan 8.280 nan 0.000 0.466 308 K N 2.505 123.021 120.400 0.193 0.000 2.316 308 K HA 0.412 4.732 4.320 -0.001 0.000 0.289 308 K C -1.483 175.170 176.600 0.088 0.000 1.070 308 K CA -0.191 56.155 56.287 0.099 0.000 0.928 308 K CB 0.287 32.819 32.500 0.054 0.000 1.039 308 K HN 0.502 nan 8.250 nan 0.000 0.480 309 V N 5.891 125.826 119.914 0.034 0.000 2.328 309 V HA 0.106 4.226 4.120 -0.001 0.000 0.278 309 V C -0.008 176.064 176.094 -0.038 0.000 1.021 309 V CA -0.989 61.301 62.300 -0.018 0.000 0.838 309 V CB 1.371 33.126 31.823 -0.113 0.000 0.999 309 V HN 0.564 nan 8.190 nan 0.000 0.447 310 V N 5.046 124.936 119.914 -0.039 0.000 2.720 310 V HA 0.023 4.142 4.120 -0.001 0.000 0.307 310 V C 1.326 177.348 176.094 -0.120 0.000 1.071 310 V CA 1.365 63.620 62.300 -0.074 0.000 1.199 310 V CB 0.537 32.310 31.823 -0.084 0.000 0.900 310 V HN 1.226 nan 8.190 nan 0.000 0.494 311 S N 2.571 118.190 115.700 -0.135 0.000 2.857 311 S HA -0.238 4.232 4.470 -0.001 0.000 0.268 311 S C 1.483 176.048 174.600 -0.058 0.000 1.297 311 S CA 1.388 59.463 58.200 -0.208 0.000 1.280 311 S CB -1.613 61.326 63.200 -0.435 0.000 1.562 311 S HN 2.384 nan 8.310 nan 0.000 0.661 312 G N 0.159 108.930 108.800 -0.049 0.000 2.196 312 G HA2 0.099 4.059 3.960 -0.001 0.000 0.268 312 G HA3 0.099 4.059 3.960 -0.001 0.000 0.268 312 G C 0.817 175.680 174.900 -0.062 0.000 0.975 312 G CA 1.082 46.163 45.100 -0.031 0.000 0.648 312 G HN 1.982 nan 8.290 nan 0.000 0.538 313 G N -2.926 105.815 108.800 -0.098 0.000 2.335 313 G HA2 0.711 4.671 3.960 -0.001 0.000 0.291 313 G HA3 0.711 4.671 3.960 -0.001 0.000 0.291 313 G C -0.870 173.948 174.900 -0.137 0.000 1.261 313 G CA 0.752 45.777 45.100 -0.124 0.000 0.871 313 G HN 1.489 nan 8.290 nan 0.000 0.491 314 T N -0.945 113.543 114.554 -0.111 0.000 2.932 314 T HA 0.576 4.926 4.350 -0.001 0.000 0.318 314 T C -1.411 173.260 174.700 -0.048 0.000 1.265 314 T CA -0.331 61.714 62.100 -0.093 0.000 1.036 314 T CB 1.938 70.785 68.868 -0.035 0.000 1.209 314 T HN 0.320 nan 8.240 nan 0.000 0.484 315 D N 2.205 122.586 120.400 -0.031 0.000 2.513 315 D HA 0.196 4.836 4.640 -0.001 0.000 0.222 315 D C 0.226 176.619 176.300 0.156 0.000 1.210 315 D CA -0.020 54.000 54.000 0.033 0.000 0.825 315 D CB 0.676 41.476 40.800 0.000 0.000 1.037 315 D HN 0.664 nan 8.370 nan 0.000 0.506 316 N N -0.729 118.057 118.700 0.143 0.000 3.600 316 N HA -0.009 4.731 4.740 -0.001 0.000 0.351 316 N C 0.862 176.482 175.510 0.182 0.000 1.614 316 N CA -0.398 52.801 53.050 0.249 0.000 0.664 316 N CB -0.128 38.561 38.487 0.337 0.000 2.485 316 N HN -0.174 nan 8.380 nan 0.000 0.629 317 H N -0.939 118.168 119.070 0.062 0.000 2.553 317 H HA 0.358 4.914 4.556 -0.001 0.000 0.265 317 H C 0.099 175.446 175.328 0.032 0.000 0.964 317 H CA -0.041 56.026 56.048 0.032 0.000 1.156 317 H CB -0.367 29.401 29.762 0.009 0.000 1.411 317 H HN 0.519 nan 8.280 nan 0.000 0.558 318 L N -1.420 119.533 121.223 -0.450 0.000 2.277 318 L HA 0.770 5.110 4.340 -0.001 0.000 0.254 318 L C -1.136 175.649 176.870 -0.140 0.000 1.044 318 L CA -1.651 52.953 54.840 -0.392 0.000 0.842 318 L CB 1.842 43.558 42.059 -0.572 0.000 1.422 318 L HN -0.032 nan 8.230 nan 0.000 0.422 319 F N -1.751 118.039 119.950 -0.268 0.000 2.725 319 F HA 0.762 5.289 4.527 -0.001 0.000 0.309 319 F C -2.112 173.537 175.800 -0.251 0.000 1.132 319 F CA -1.231 56.613 58.000 -0.260 0.000 0.957 319 F CB 0.868 39.720 39.000 -0.247 0.000 1.286 319 F HN 0.549 nan 8.300 nan 0.000 0.440 320 L N 2.933 124.156 121.223 -0.001 0.000 2.325 320 L HA 0.770 5.110 4.340 -0.001 0.000 0.278 320 L C -0.834 176.045 176.870 0.015 0.000 1.023 320 L CA -1.400 53.396 54.840 -0.073 0.000 0.811 320 L CB 1.983 43.994 42.059 -0.080 0.000 1.249 320 L HN 0.626 nan 8.230 nan 0.000 0.431 321 V N 1.935 121.824 119.914 -0.042 0.000 2.313 321 V HA 0.165 4.285 4.120 -0.001 0.000 0.278 321 V C -0.213 175.899 176.094 0.030 0.000 1.017 321 V CA -0.665 61.637 62.300 0.003 0.000 0.823 321 V CB 1.376 33.160 31.823 -0.065 0.000 1.010 321 V HN 0.620 nan 8.190 nan 0.000 0.443 322 D N 4.365 124.793 120.400 0.048 0.000 2.339 322 D HA 0.145 4.784 4.640 -0.001 0.000 0.256 322 D C 0.184 176.536 176.300 0.086 0.000 1.214 322 D CA -0.209 53.815 54.000 0.040 0.000 0.877 322 D CB 1.765 42.575 40.800 0.017 0.000 1.111 322 D HN 0.276 nan 8.370 nan 0.000 0.478 323 L N 4.845 126.114 121.223 0.077 0.000 2.667 323 L HA 0.060 4.400 4.340 -0.001 0.000 0.232 323 L C 2.012 178.919 176.870 0.061 0.000 1.138 323 L CA 0.132 55.034 54.840 0.102 0.000 0.921 323 L CB 0.049 42.172 42.059 0.106 0.000 1.180 323 L HN 0.320 nan 8.230 nan 0.000 0.487 324 V N 0.784 120.720 119.914 0.037 0.000 2.287 324 V HA -0.312 3.807 4.120 -0.001 0.000 0.248 324 V C 2.281 178.385 176.094 0.017 0.000 1.053 324 V CA 2.180 64.493 62.300 0.022 0.000 1.027 324 V CB -0.614 31.216 31.823 0.012 0.000 0.646 324 V HN 0.634 nan 8.190 nan 0.000 0.447 325 D N -0.397 120.010 120.400 0.011 0.000 2.310 325 D HA -0.185 4.454 4.640 -0.001 0.000 0.212 325 D C 1.574 177.868 176.300 -0.011 0.000 0.965 325 D CA 0.793 54.790 54.000 -0.005 0.000 0.879 325 D CB -0.221 40.568 40.800 -0.018 0.000 0.921 325 D HN 0.338 nan 8.370 nan 0.000 0.510 326 K N 0.296 120.701 120.400 0.007 0.000 2.404 326 K HA 0.036 4.356 4.320 -0.001 0.000 0.194 326 K C 0.166 176.783 176.600 0.028 0.000 1.023 326 K CA -0.245 56.049 56.287 0.011 0.000 1.094 326 K CB -0.079 32.456 32.500 0.058 0.000 0.841 326 K HN 0.066 nan 8.250 nan 0.000 0.523 327 N N 1.032 119.746 118.700 0.024 0.000 2.738 327 N HA -0.206 4.534 4.740 -0.001 0.000 0.249 327 N C -0.911 174.619 175.510 0.033 0.000 1.047 327 N CA 0.763 53.827 53.050 0.024 0.000 0.707 327 N CB -1.368 37.129 38.487 0.017 0.000 0.937 327 N HN 0.240 nan 8.380 nan 0.000 0.545 328 L N -0.180 121.068 121.223 0.042 0.000 2.388 328 L HA 0.504 4.844 4.340 -0.001 0.000 0.264 328 L C 0.768 177.659 176.870 0.034 0.000 0.998 328 L CA -0.769 54.098 54.840 0.045 0.000 0.817 328 L CB 2.191 44.291 42.059 0.069 0.000 1.338 328 L HN 0.125 nan 8.230 nan 0.000 0.414 329 T N -2.101 112.467 114.554 0.023 0.000 2.928 329 T HA 0.321 4.671 4.350 -0.001 0.000 0.284 329 T C 1.167 175.866 174.700 -0.002 0.000 1.008 329 T CA -0.100 62.006 62.100 0.009 0.000 1.057 329 T CB 1.779 70.649 68.868 0.004 0.000 1.018 329 T HN 0.707 nan 8.240 nan 0.000 0.493 330 G N 0.584 109.373 108.800 -0.018 0.000 2.450 330 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.220 330 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.220 330 G C 1.329 176.195 174.900 -0.057 0.000 1.130 330 G CA 0.801 45.879 45.100 -0.035 0.000 0.760 330 G HN 0.827 nan 8.290 nan 0.000 0.557 331 K N 0.361 120.717 120.400 -0.073 0.000 2.097 331 K HA -0.089 4.231 4.320 -0.001 0.000 0.206 331 K C 2.366 178.933 176.600 -0.053 0.000 1.049 331 K CA 1.435 57.663 56.287 -0.098 0.000 0.933 331 K CB -0.121 32.312 32.500 -0.111 0.000 0.717 331 K HN 0.431 nan 8.250 nan 0.000 0.442 332 E N -0.034 120.152 120.200 -0.024 0.000 2.028 332 E HA -0.163 4.186 4.350 -0.001 0.000 0.191 332 E C 2.042 178.640 176.600 -0.002 0.000 0.988 332 E CA 0.992 57.389 56.400 -0.005 0.000 0.799 332 E CB -0.155 29.550 29.700 0.010 0.000 0.755 332 E HN 0.392 nan 8.360 nan 0.000 0.447 333 A N 2.000 124.822 122.820 0.004 0.000 1.892 333 A HA -0.295 4.024 4.320 -0.001 0.000 0.218 333 A C 2.068 179.648 177.584 -0.006 0.000 1.188 333 A CA 2.005 54.049 52.037 0.011 0.000 0.631 333 A CB -0.713 18.299 19.000 0.020 0.000 0.822 333 A HN 0.321 nan 8.150 nan 0.000 0.447 334 D N 0.055 120.440 120.400 -0.025 0.000 2.104 334 D HA -0.142 4.498 4.640 -0.001 0.000 0.194 334 D C 2.103 178.387 176.300 -0.027 0.000 0.994 334 D CA 1.746 55.725 54.000 -0.036 0.000 0.830 334 D CB -0.192 40.571 40.800 -0.062 0.000 0.959 334 D HN 0.341 nan 8.370 nan 0.000 0.452 335 A N 0.931 123.736 122.820 -0.025 0.000 1.930 335 A HA 0.051 4.371 4.320 -0.001 0.000 0.217 335 A C 2.450 180.029 177.584 -0.009 0.000 1.175 335 A CA 2.204 54.232 52.037 -0.015 0.000 0.627 335 A CB -0.754 18.240 19.000 -0.011 0.000 0.815 335 A HN 0.362 nan 8.150 nan 0.000 0.443 336 A N -0.181 122.636 122.820 -0.005 0.000 1.873 336 A HA -0.023 4.296 4.320 -0.001 0.000 0.215 336 A C 2.160 179.739 177.584 -0.009 0.000 1.186 336 A CA 1.458 53.494 52.037 -0.002 0.000 0.616 336 A CB -0.638 18.368 19.000 0.009 0.000 0.823 336 A HN 0.454 nan 8.150 nan 0.000 0.442 337 L N -0.590 120.629 121.223 -0.007 0.000 2.083 337 L HA -0.132 4.208 4.340 -0.001 0.000 0.209 337 L C 2.794 179.640 176.870 -0.040 0.000 1.083 337 L CA 1.004 55.839 54.840 -0.010 0.000 0.752 337 L CB -0.728 41.332 42.059 0.002 0.000 0.899 337 L HN 0.507 nan 8.230 nan 0.000 0.433 338 G N -0.421 108.354 108.800 -0.042 0.000 2.432 338 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.219 338 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.219 338 G C 1.731 176.579 174.900 -0.086 0.000 1.135 338 G CA 0.332 45.393 45.100 -0.066 0.000 0.767 338 G HN 0.285 nan 8.290 nan 0.000 0.550 339 R N 0.217 120.688 120.500 -0.049 0.000 2.237 339 R HA 0.124 4.463 4.340 -0.001 0.000 0.219 339 R C 2.171 178.433 176.300 -0.063 0.000 1.080 339 R CA 0.710 56.785 56.100 -0.041 0.000 0.995 339 R CB -0.022 30.266 30.300 -0.020 0.000 0.875 339 R HN 0.333 nan 8.270 nan 0.000 0.462 340 A N 0.496 123.269 122.820 -0.078 0.000 2.460 340 A HA 0.130 4.450 4.320 -0.001 0.000 0.258 340 A C -0.096 177.414 177.584 -0.125 0.000 1.300 340 A CA -0.342 51.645 52.037 -0.084 0.000 0.913 340 A CB 0.091 19.058 19.000 -0.054 0.000 1.031 340 A HN 0.323 nan 8.150 nan 0.000 0.512 341 N N -1.073 117.489 118.700 -0.230 0.000 2.741 341 N HA -0.145 4.595 4.740 -0.001 0.000 0.250 341 N C -0.625 174.691 175.510 -0.322 0.000 1.115 341 N CA 1.136 53.902 53.050 -0.472 0.000 0.724 341 N CB -1.549 36.779 38.487 -0.265 0.000 1.090 341 N HN 0.615 nan 8.380 nan 0.000 0.558 342 I N 0.413 120.877 120.570 -0.176 0.000 2.359 342 I HA 0.164 4.333 4.170 -0.001 0.000 0.284 342 I C 0.051 176.136 176.117 -0.054 0.000 1.018 342 I CA -0.354 60.915 61.300 -0.050 0.000 1.173 342 I CB 1.380 39.398 38.000 0.030 0.000 1.326 342 I HN -0.120 nan 8.210 nan 0.000 0.462 343 T N 6.461 121.002 114.554 -0.022 0.000 2.733 343 T HA 0.477 4.827 4.350 -0.001 0.000 0.294 343 T C 0.261 174.959 174.700 -0.003 0.000 0.956 343 T CA -0.409 61.700 62.100 0.015 0.000 0.987 343 T CB 1.138 70.070 68.868 0.107 0.000 0.920 343 T HN 0.453 nan 8.240 nan 0.000 0.470 344 V N 1.451 121.352 119.914 -0.021 0.000 3.271 344 V HA 0.795 4.915 4.120 -0.001 0.000 0.305 344 V C -1.078 174.988 176.094 -0.047 0.000 1.303 344 V CA -1.273 60.997 62.300 -0.050 0.000 1.038 344 V CB 2.180 33.961 31.823 -0.071 0.000 1.197 344 V HN 0.886 nan 8.190 nan 0.000 0.478 345 N N -0.172 118.488 118.700 -0.066 0.000 2.287 345 N HA 0.307 5.047 4.740 -0.001 0.000 0.289 345 N C -1.053 174.410 175.510 -0.079 0.000 1.066 345 N CA -0.775 52.239 53.050 -0.062 0.000 0.841 345 N CB 2.580 41.043 38.487 -0.040 0.000 1.599 345 N HN 0.990 nan 8.380 nan 0.000 0.476 346 K N 1.568 121.913 120.400 -0.091 0.000 2.469 346 K HA 0.108 4.427 4.320 -0.001 0.000 0.274 346 K C -0.949 175.602 176.600 -0.080 0.000 0.983 346 K CA 0.022 56.252 56.287 -0.095 0.000 0.974 346 K CB 0.363 32.781 32.500 -0.136 0.000 0.913 346 K HN 0.669 nan 8.250 nan 0.000 0.493 347 N N 0.291 118.950 118.700 -0.068 0.000 2.367 347 N HA 0.132 4.872 4.740 -0.001 0.000 0.278 347 N C -1.663 173.823 175.510 -0.040 0.000 1.117 347 N CA -0.484 52.534 53.050 -0.053 0.000 0.867 347 N CB 2.178 40.625 38.487 -0.067 0.000 1.649 347 N HN 0.636 nan 8.380 nan 0.000 0.479 348 S N 0.413 116.098 115.700 -0.024 0.000 2.579 348 S HA 0.380 4.850 4.470 -0.001 0.000 0.275 348 S C -0.094 174.493 174.600 -0.022 0.000 1.345 348 S CA -0.562 57.630 58.200 -0.013 0.000 1.031 348 S CB 0.546 63.748 63.200 0.003 0.000 0.892 348 S HN 0.417 nan 8.310 nan 0.000 0.529 349 V N -0.964 118.936 119.914 -0.024 0.000 3.074 349 V HA 0.658 4.778 4.120 -0.001 0.000 0.314 349 V C -3.107 172.946 176.094 -0.068 0.000 1.117 349 V CA -3.276 58.995 62.300 -0.048 0.000 1.014 349 V CB 1.017 32.813 31.823 -0.045 0.000 1.057 349 V HN 0.505 nan 8.190 nan 0.000 0.438 350 P HA 0.184 nan 4.420 nan 0.000 0.262 350 P C -0.203 177.013 177.300 -0.139 0.000 1.182 350 P CA 0.713 63.615 63.100 -0.330 0.000 0.761 350 P CB -0.074 31.277 31.700 -0.581 0.000 0.795 351 N N 0.000 118.693 118.700 -0.012 0.000 2.747 351 N HA -0.187 4.553 4.740 -0.001 0.000 0.249 351 N C -0.218 175.303 175.510 0.018 0.000 1.107 351 N CA 0.831 53.904 53.050 0.038 0.000 0.707 351 N CB -1.537 36.962 38.487 0.020 0.000 1.054 351 N HN 0.548 nan 8.380 nan 0.000 0.555 352 D N 1.521 121.931 120.400 0.017 0.000 2.450 352 D HA 0.059 4.698 4.640 -0.001 0.000 0.247 352 D C -0.642 175.670 176.300 0.020 0.000 1.162 352 D CA -0.943 53.065 54.000 0.012 0.000 0.879 352 D CB 0.896 41.703 40.800 0.011 0.000 1.163 352 D HN 0.197 nan 8.370 nan 0.000 0.472 353 P HA 0.003 nan 4.420 nan 0.000 0.241 353 P C 0.002 177.315 177.300 0.021 0.000 1.191 353 P CA 0.350 63.462 63.100 0.019 0.000 0.771 353 P CB 0.557 32.267 31.700 0.016 0.000 0.929 354 K N 0.508 120.921 120.400 0.022 0.000 2.185 354 K HA 0.362 4.682 4.320 -0.001 0.000 0.240 354 K C 0.668 177.288 176.600 0.033 0.000 0.983 354 K CA -0.546 55.757 56.287 0.027 0.000 0.873 354 K CB 1.438 33.953 32.500 0.024 0.000 1.118 354 K HN 0.014 nan 8.250 nan 0.000 0.441 355 S N 0.078 115.805 115.700 0.046 0.000 2.614 355 S HA 0.203 4.673 4.470 -0.001 0.000 0.265 355 S C -1.815 172.825 174.600 0.067 0.000 1.303 355 S CA -0.884 57.349 58.200 0.056 0.000 1.000 355 S CB 0.798 64.040 63.200 0.070 0.000 0.935 355 S HN 0.240 nan 8.310 nan 0.000 0.551 356 P HA -0.098 nan 4.420 nan 0.000 0.218 356 P C 0.832 178.195 177.300 0.105 0.000 1.146 356 P CA 1.010 64.152 63.100 0.070 0.000 0.813 356 P CB -0.050 31.688 31.700 0.064 0.000 0.778 357 F N -1.175 118.774 119.950 -0.002 0.000 2.615 357 F HA -0.032 4.495 4.527 -0.001 0.000 0.297 357 F C 1.725 177.527 175.800 0.004 0.000 1.124 357 F CA 0.816 58.816 58.000 0.001 0.000 1.451 357 F CB -0.013 38.988 39.000 0.001 0.000 1.103 357 F HN -0.279 nan 8.300 nan 0.000 0.569 358 V N -0.906 119.033 119.914 0.042 0.000 2.602 358 V HA 0.073 4.193 4.120 -0.001 0.000 0.235 358 V C 0.800 176.869 176.094 -0.042 0.000 1.087 358 V CA 1.063 63.354 62.300 -0.014 0.000 1.117 358 V CB -0.579 31.274 31.823 0.050 0.000 0.820 358 V HN 0.449 nan 8.190 nan 0.000 0.490 359 T N -0.806 113.742 114.554 -0.009 0.000 0.541 359 T HA -0.245 4.105 4.350 -0.001 0.000 0.774 359 T C 0.097 174.792 174.700 -0.009 0.000 0.992 359 T CA 0.357 62.449 62.100 -0.013 0.000 4.077 359 T CB -1.429 67.418 68.868 -0.034 0.000 2.303 359 T HN 0.422 nan 8.240 nan 0.000 0.398 360 S N 1.226 116.922 115.700 -0.006 0.000 2.843 360 S HA 0.655 5.124 4.470 -0.001 0.000 0.249 360 S C 0.578 175.180 174.600 0.004 0.000 1.047 360 S CA -0.101 58.102 58.200 0.004 0.000 1.042 360 S CB 0.660 63.865 63.200 0.008 0.000 0.936 360 S HN 1.341 nan 8.310 nan 0.000 0.531 361 G N 1.532 110.325 108.800 -0.011 0.000 2.550 361 G HA2 0.677 4.637 3.960 -0.001 0.000 0.293 361 G HA3 0.677 4.637 3.960 -0.001 0.000 0.293 361 G C -1.772 173.102 174.900 -0.043 0.000 1.402 361 G CA -0.775 44.315 45.100 -0.016 0.000 0.784 361 G HN 0.353 nan 8.290 nan 0.000 0.482 362 I N -2.378 118.152 120.570 -0.067 0.000 2.769 362 I HA 0.820 4.990 4.170 -0.001 0.000 0.298 362 I C -0.692 175.319 176.117 -0.177 0.000 1.128 362 I CA -1.247 59.989 61.300 -0.106 0.000 1.031 362 I CB 2.629 40.571 38.000 -0.097 0.000 1.235 362 I HN 0.558 nan 8.210 nan 0.000 0.423 363 R N 3.911 124.292 120.500 -0.197 0.000 2.407 363 R HA 0.804 5.143 4.340 -0.001 0.000 0.303 363 R C -1.707 174.359 176.300 -0.389 0.000 0.981 363 R CA -0.554 55.377 56.100 -0.283 0.000 0.905 363 R CB 1.966 32.153 30.300 -0.189 0.000 1.099 363 R HN 0.685 nan 8.270 nan 0.000 0.459 364 V N 2.867 122.369 119.914 -0.687 0.000 2.540 364 V HA 0.672 4.791 4.120 -0.001 0.000 0.302 364 V C 0.139 175.837 176.094 -0.659 0.000 1.035 364 V CA -0.693 61.152 62.300 -0.759 0.000 0.873 364 V CB 1.874 32.962 31.823 -1.223 0.000 0.992 364 V HN 0.965 nan 8.190 nan 0.000 0.428 365 G N 1.069 109.667 108.800 -0.335 0.000 2.571 365 G HA2 0.554 4.514 3.960 -0.001 0.000 0.304 365 G HA3 0.554 4.514 3.960 -0.001 0.000 0.304 365 G C 0.315 175.167 174.900 -0.081 0.000 1.314 365 G CA 0.214 45.209 45.100 -0.174 0.000 0.975 365 G HN 0.758 nan 8.290 nan 0.000 0.485 366 T N -1.247 113.304 114.554 -0.005 0.000 3.069 366 T HA 0.237 4.586 4.350 -0.001 0.000 0.252 366 T C -0.929 173.770 174.700 -0.002 0.000 1.053 366 T CA -0.166 61.934 62.100 0.000 0.000 0.964 366 T CB 0.343 69.232 68.868 0.035 0.000 1.005 366 T HN 0.230 nan 8.240 nan 0.000 0.532 367 P HA -0.054 nan 4.420 nan 0.000 0.216 367 P C 1.839 179.173 177.300 0.056 0.000 1.153 367 P CA 1.674 64.791 63.100 0.029 0.000 0.858 367 P CB -0.236 31.476 31.700 0.021 0.000 0.789 368 A N -0.110 122.661 122.820 -0.081 0.000 1.855 368 A HA -0.163 4.156 4.320 -0.001 0.000 0.215 368 A C 2.176 179.744 177.584 -0.027 0.000 1.191 368 A CA 1.811 53.728 52.037 -0.200 0.000 0.613 368 A CB -1.722 17.023 19.000 -0.426 0.000 0.829 368 A HN 0.305 nan 8.150 nan 0.000 0.442 369 I N -2.678 117.805 120.570 -0.144 0.000 2.394 369 I HA -0.137 4.033 4.170 -0.001 0.000 0.251 369 I C 2.038 178.074 176.117 -0.136 0.000 1.136 369 I CA 2.026 63.094 61.300 -0.387 0.000 1.425 369 I CB -1.040 36.554 38.000 -0.676 0.000 1.079 369 I HN 0.120 nan 8.210 nan 0.000 0.425 370 T N 1.120 115.701 114.554 0.045 0.000 2.737 370 T HA -0.143 4.207 4.350 -0.001 0.000 0.265 370 T C 1.967 176.859 174.700 0.320 0.000 1.038 370 T CA 1.777 63.987 62.100 0.183 0.000 1.144 370 T CB -0.342 68.597 68.868 0.118 0.000 0.866 370 T HN 0.415 nan 8.240 nan 0.000 0.434 371 R N 1.164 121.891 120.500 0.378 0.000 2.193 371 R HA 0.041 4.381 4.340 -0.001 0.000 0.229 371 R C 2.330 178.700 176.300 0.117 0.000 1.110 371 R CA 1.103 57.300 56.100 0.161 0.000 0.988 371 R CB -0.107 30.230 30.300 0.061 0.000 0.871 371 R HN 0.229 nan 8.270 nan 0.000 0.458 372 R N -1.162 119.433 120.500 0.159 0.000 2.275 372 R HA 0.035 4.374 4.340 -0.001 0.000 0.199 372 R C 0.621 177.083 176.300 0.270 0.000 0.989 372 R CA 1.034 57.211 56.100 0.128 0.000 1.016 372 R CB 0.345 30.680 30.300 0.060 0.000 0.918 372 R HN 0.451 nan 8.270 nan 0.000 0.473 373 G N -0.880 108.099 108.800 0.299 0.000 2.255 373 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.196 373 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.196 373 G C -0.130 174.993 174.900 0.373 0.000 0.998 373 G CA -0.409 44.936 45.100 0.408 0.000 0.656 373 G HN 0.120 nan 8.290 nan 0.000 0.490 374 F N 2.071 121.959 119.950 -0.104 0.000 2.553 374 F HA 0.558 5.085 4.527 -0.001 0.000 0.356 374 F C 1.169 176.934 175.800 -0.060 0.000 1.142 374 F CA 0.260 58.127 58.000 -0.222 0.000 1.322 374 F CB 0.665 39.541 39.000 -0.207 0.000 1.126 374 F HN 0.052 nan 8.300 nan 0.000 0.599 375 K N 1.370 121.801 120.400 0.053 0.000 2.372 375 K HA 0.277 4.596 4.320 -0.001 0.000 0.251 375 K C 0.852 177.455 176.600 0.005 0.000 1.055 375 K CA -0.838 55.478 56.287 0.048 0.000 0.879 375 K CB 1.533 34.059 32.500 0.043 0.000 1.384 375 K HN 0.323 nan 8.250 nan 0.000 0.465 376 E N 0.775 120.977 120.200 0.003 0.000 2.108 376 E HA -0.308 4.042 4.350 -0.001 0.000 0.203 376 E C 1.726 178.294 176.600 -0.054 0.000 1.022 376 E CA 2.235 58.626 56.400 -0.015 0.000 0.823 376 E CB -0.302 29.390 29.700 -0.013 0.000 0.744 376 E HN 0.632 nan 8.360 nan 0.000 0.456 377 A N 0.952 123.731 122.820 -0.069 0.000 1.865 377 A HA -0.280 4.040 4.320 -0.001 0.000 0.217 377 A C 2.041 179.516 177.584 -0.182 0.000 1.191 377 A CA 1.991 53.967 52.037 -0.103 0.000 0.623 377 A CB -0.571 18.381 19.000 -0.079 0.000 0.826 377 A HN 0.163 nan 8.150 nan 0.000 0.444 378 E N -0.023 120.024 120.200 -0.255 0.000 2.106 378 E HA 0.043 4.393 4.350 -0.001 0.000 0.192 378 E C 2.193 178.615 176.600 -0.297 0.000 0.984 378 E CA 1.228 57.347 56.400 -0.469 0.000 0.806 378 E CB -0.501 28.602 29.700 -0.996 0.000 0.750 378 E HN 0.581 nan 8.360 nan 0.000 0.458 379 A N 1.110 123.878 122.820 -0.087 0.000 1.902 379 A HA -0.219 4.101 4.320 -0.001 0.000 0.217 379 A C 1.926 179.473 177.584 -0.062 0.000 1.181 379 A CA 1.570 53.626 52.037 0.033 0.000 0.623 379 A CB -0.293 18.751 19.000 0.074 0.000 0.818 379 A HN 0.083 nan 8.150 nan 0.000 0.443 380 K N -0.688 119.646 120.400 -0.110 0.000 2.025 380 K HA -0.168 4.152 4.320 -0.001 0.000 0.207 380 K C 2.148 178.598 176.600 -0.250 0.000 1.049 380 K CA 1.508 57.715 56.287 -0.134 0.000 0.933 380 K CB -0.146 32.286 32.500 -0.112 0.000 0.714 380 K HN 0.690 nan 8.250 nan 0.000 0.438 381 E N 1.016 120.998 120.200 -0.363 0.000 2.110 381 E HA -0.219 4.131 4.350 -0.001 0.000 0.193 381 E C 2.018 177.994 176.600 -1.040 0.000 0.988 381 E CA 0.823 56.848 56.400 -0.624 0.000 0.804 381 E CB 0.018 29.336 29.700 -0.637 0.000 0.745 381 E HN 0.106 nan 8.360 nan 0.000 0.458 382 L N 0.841 121.589 121.223 -0.792 0.000 2.017 382 L HA -0.078 4.262 4.340 -0.001 0.000 0.208 382 L C 2.276 179.015 176.870 -0.219 0.000 1.073 382 L CA 2.266 56.781 54.840 -0.543 0.000 0.745 382 L CB -0.873 41.134 42.059 -0.086 0.000 0.894 382 L HN 0.173 nan 8.230 nan 0.000 0.432 383 A N -0.436 122.299 122.820 -0.141 0.000 1.940 383 A HA -0.107 4.212 4.320 -0.001 0.000 0.219 383 A C 2.335 179.734 177.584 -0.309 0.000 1.176 383 A CA 1.656 53.636 52.037 -0.096 0.000 0.631 383 A CB -1.621 17.373 19.000 -0.010 0.000 0.814 383 A HN 0.563 nan 8.150 nan 0.000 0.446 384 G N -1.217 107.410 108.800 -0.287 0.000 2.421 384 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.216 384 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.216 384 G C 1.332 176.211 174.900 -0.036 0.000 1.171 384 G CA 0.970 45.945 45.100 -0.209 0.000 0.775 384 G HN 0.586 nan 8.290 nan 0.000 0.543 385 W N 0.793 122.047 121.300 -0.076 0.000 2.342 385 W HA 0.032 4.692 4.660 -0.001 0.000 0.297 385 W C 2.742 179.218 176.519 -0.072 0.000 1.213 385 W CA 0.674 57.988 57.345 -0.052 0.000 1.251 385 W CB -1.083 28.368 29.460 -0.015 0.000 1.136 385 W HN 0.220 nan 8.180 nan 0.000 0.526 386 M N -0.717 118.958 119.600 0.126 0.000 2.117 386 M HA -0.222 4.258 4.480 -0.001 0.000 0.262 386 M C 2.121 178.358 176.300 -0.103 0.000 1.065 386 M CA 1.721 57.044 55.300 0.037 0.000 1.114 386 M CB -0.947 31.710 32.600 0.095 0.000 1.361 386 M HN -0.132 nan 8.290 nan 0.000 0.408 387 C N 0.545 119.679 119.300 -0.277 0.000 2.435 387 C HA -0.120 4.340 4.460 -0.001 0.000 0.279 387 C C 2.194 177.159 174.990 -0.041 0.000 1.321 387 C CA 0.626 59.467 59.018 -0.295 0.000 1.752 387 C CB -1.079 26.449 27.740 -0.353 0.000 1.959 387 C HN 0.538 nan 8.230 nan 0.000 0.500 388 D N 0.754 121.158 120.400 0.006 0.000 2.117 388 D HA -0.102 4.538 4.640 -0.001 0.000 0.197 388 D C 2.185 178.512 176.300 0.045 0.000 0.987 388 D CA 1.098 55.127 54.000 0.049 0.000 0.829 388 D CB -0.441 40.406 40.800 0.077 0.000 0.961 388 D HN 0.294 nan 8.370 nan 0.000 0.460 389 V N 1.177 121.113 119.914 0.037 0.000 2.307 389 V HA -0.190 3.930 4.120 -0.001 0.000 0.245 389 V C 2.656 178.776 176.094 0.044 0.000 1.045 389 V CA 1.063 63.382 62.300 0.032 0.000 1.024 389 V CB -0.454 31.386 31.823 0.028 0.000 0.651 389 V HN 0.188 nan 8.190 nan 0.000 0.449 390 L N -0.210 121.038 121.223 0.043 0.000 2.131 390 L HA -0.180 4.159 4.340 -0.001 0.000 0.210 390 L C 2.332 179.302 176.870 0.166 0.000 1.092 390 L CA 1.375 56.272 54.840 0.096 0.000 0.759 390 L CB -0.741 41.345 42.059 0.046 0.000 0.903 390 L HN 0.360 nan 8.230 nan 0.000 0.435 391 D N -0.169 120.328 120.400 0.162 0.000 2.097 391 D HA -0.092 4.548 4.640 -0.001 0.000 0.197 391 D C 1.127 177.475 176.300 0.081 0.000 0.984 391 D CA 1.197 55.280 54.000 0.139 0.000 0.826 391 D CB 0.054 40.921 40.800 0.111 0.000 0.973 391 D HN 0.160 nan 8.370 nan 0.000 0.460 392 S N 0.298 116.035 115.700 0.061 0.000 2.312 392 S HA 0.270 4.739 4.470 -0.001 0.000 0.211 392 S C 1.254 175.875 174.600 0.035 0.000 1.315 392 S CA -0.334 57.890 58.200 0.039 0.000 1.267 392 S CB 0.354 63.570 63.200 0.028 0.000 1.072 392 S HN 0.156 nan 8.310 nan 0.000 0.490 393 I N 1.708 122.304 120.570 0.043 0.000 2.657 393 I HA -0.196 3.973 4.170 -0.001 0.000 0.261 393 I C 1.199 177.330 176.117 0.023 0.000 1.212 393 I CA 1.252 62.574 61.300 0.036 0.000 1.453 393 I CB 0.042 38.069 38.000 0.045 0.000 1.092 393 I HN 0.474 nan 8.210 nan 0.000 0.452 394 N N -0.483 118.230 118.700 0.021 0.000 2.205 394 N HA -0.014 4.726 4.740 -0.001 0.000 0.201 394 N C -0.154 175.362 175.510 0.010 0.000 1.128 394 N CA -0.166 52.893 53.050 0.015 0.000 0.867 394 N CB 0.402 38.898 38.487 0.015 0.000 0.996 394 N HN 0.130 nan 8.380 nan 0.000 0.503 395 D N 1.262 121.668 120.400 0.010 0.000 2.441 395 D HA 0.085 4.725 4.640 -0.001 0.000 0.221 395 D C 1.067 177.366 176.300 -0.001 0.000 1.156 395 D CA 0.127 54.130 54.000 0.005 0.000 0.896 395 D CB 0.904 41.707 40.800 0.006 0.000 1.028 395 D HN 0.350 nan 8.370 nan 0.000 0.509 396 E N 2.922 123.120 120.200 -0.002 0.000 2.160 396 E HA -0.179 4.171 4.350 -0.001 0.000 0.195 396 E C 1.861 178.453 176.600 -0.014 0.000 0.991 396 E CA 1.495 57.891 56.400 -0.007 0.000 0.810 396 E CB -0.404 29.293 29.700 -0.005 0.000 0.742 396 E HN 0.611 nan 8.360 nan 0.000 0.466 397 A N 0.221 123.034 122.820 -0.012 0.000 1.930 397 A HA 0.073 4.393 4.320 -0.001 0.000 0.217 397 A C 2.702 180.271 177.584 -0.025 0.000 1.175 397 A CA 1.602 53.629 52.037 -0.018 0.000 0.627 397 A CB -0.327 18.665 19.000 -0.013 0.000 0.815 397 A HN 0.444 nan 8.150 nan 0.000 0.443 398 V N 0.218 120.120 119.914 -0.019 0.000 2.307 398 V HA -0.238 3.882 4.120 -0.001 0.000 0.245 398 V C 2.408 178.479 176.094 -0.039 0.000 1.045 398 V CA 1.909 64.195 62.300 -0.024 0.000 1.024 398 V CB -0.644 31.175 31.823 -0.006 0.000 0.651 398 V HN 0.570 nan 8.190 nan 0.000 0.449 399 I N 0.605 121.157 120.570 -0.031 0.000 2.226 399 I HA -0.240 3.930 4.170 -0.001 0.000 0.245 399 I C 2.949 179.030 176.117 -0.059 0.000 1.100 399 I CA 1.897 63.173 61.300 -0.039 0.000 1.374 399 I CB -0.727 37.258 38.000 -0.025 0.000 1.057 399 I HN 0.488 nan 8.210 nan 0.000 0.413 400 E N 1.247 121.416 120.200 -0.051 0.000 2.150 400 E HA -0.225 4.125 4.350 -0.001 0.000 0.193 400 E C 2.484 179.035 176.600 -0.083 0.000 0.985 400 E CA 1.742 58.108 56.400 -0.056 0.000 0.814 400 E CB -1.011 28.666 29.700 -0.040 0.000 0.752 400 E HN 0.610 nan 8.360 nan 0.000 0.466 401 R N 0.623 121.069 120.500 -0.090 0.000 2.066 401 R HA 0.070 4.409 4.340 -0.001 0.000 0.232 401 R C 2.440 178.616 176.300 -0.207 0.000 1.131 401 R CA 1.500 57.527 56.100 -0.121 0.000 0.955 401 R CB -0.973 29.268 30.300 -0.098 0.000 0.851 401 R HN 0.483 nan 8.270 nan 0.000 0.432 402 I N 1.181 121.618 120.570 -0.221 0.000 2.286 402 I HA -0.187 3.983 4.170 -0.001 0.000 0.248 402 I C 2.517 178.437 176.117 -0.329 0.000 1.115 402 I CA 1.701 62.787 61.300 -0.356 0.000 1.392 402 I CB -0.989 36.884 38.000 -0.212 0.000 1.065 402 I HN 0.431 nan 8.210 nan 0.000 0.418 403 K N 1.005 121.291 120.400 -0.190 0.000 2.063 403 K HA -0.171 4.149 4.320 -0.001 0.000 0.208 403 K C 2.143 178.656 176.600 -0.146 0.000 1.048 403 K CA 1.683 57.887 56.287 -0.140 0.000 0.928 403 K CB -0.345 32.103 32.500 -0.088 0.000 0.713 403 K HN 0.360 nan 8.250 nan 0.000 0.442 404 G N 1.083 109.787 108.800 -0.159 0.000 2.402 404 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.216 404 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.216 404 G C 1.231 176.020 174.900 -0.185 0.000 1.162 404 G CA 0.679 45.699 45.100 -0.134 0.000 0.777 404 G HN 0.284 nan 8.290 nan 0.000 0.539 405 K N 0.065 120.254 120.400 -0.351 0.000 2.097 405 K HA -0.007 4.312 4.320 -0.001 0.000 0.206 405 K C 2.550 178.893 176.600 -0.428 0.000 1.049 405 K CA 0.984 56.953 56.287 -0.528 0.000 0.933 405 K CB -0.214 31.587 32.500 -1.165 0.000 0.717 405 K HN 0.251 nan 8.250 nan 0.000 0.442 406 V N 1.971 121.679 119.914 -0.343 0.000 2.283 406 V HA -0.210 3.910 4.120 -0.001 0.000 0.243 406 V C 2.268 178.404 176.094 0.070 0.000 1.039 406 V CA 1.471 63.755 62.300 -0.025 0.000 1.016 406 V CB -0.452 31.373 31.823 0.003 0.000 0.650 406 V HN 0.256 nan 8.190 nan 0.000 0.449 407 L N 0.205 121.439 121.223 0.017 0.000 2.127 407 L HA -0.246 4.094 4.340 -0.001 0.000 0.211 407 L C 2.282 179.193 176.870 0.069 0.000 1.089 407 L CA 2.062 56.934 54.840 0.053 0.000 0.757 407 L CB -0.600 41.473 42.059 0.023 0.000 0.899 407 L HN 0.462 nan 8.230 nan 0.000 0.434 408 D N 0.284 120.711 120.400 0.045 0.000 2.103 408 D HA -0.200 4.440 4.640 -0.001 0.000 0.199 408 D C 2.174 178.560 176.300 0.142 0.000 0.978 408 D CA 0.887 54.927 54.000 0.066 0.000 0.829 408 D CB 0.097 40.915 40.800 0.030 0.000 0.981 408 D HN 0.263 nan 8.370 nan 0.000 0.464 409 I N -0.310 120.389 120.570 0.214 0.000 2.546 409 I HA -0.180 3.990 4.170 -0.001 0.000 0.255 409 I C 1.514 177.874 176.117 0.405 0.000 1.163 409 I CA 0.451 61.950 61.300 0.331 0.000 1.457 409 I CB 0.063 38.301 38.000 0.396 0.000 1.092 409 I HN 0.238 nan 8.210 nan 0.000 0.434 410 C N 0.781 120.270 119.300 0.315 0.000 2.440 410 C HA -0.039 4.420 4.460 -0.001 0.000 0.278 410 C C 3.047 178.170 174.990 0.220 0.000 1.295 410 C CA 0.962 60.152 59.018 0.287 0.000 1.738 410 C CB -1.179 26.684 27.740 0.204 0.000 1.987 410 C HN 0.664 nan 8.230 nan 0.000 0.492 411 A N 0.394 123.310 122.820 0.160 0.000 1.969 411 A HA -0.159 4.161 4.320 -0.001 0.000 0.218 411 A C 2.147 179.779 177.584 0.081 0.000 1.169 411 A CA 1.332 53.429 52.037 0.100 0.000 0.635 411 A CB -0.395 18.647 19.000 0.070 0.000 0.810 411 A HN 0.669 nan 8.150 nan 0.000 0.445 412 R N -2.357 118.209 120.500 0.111 0.000 2.161 412 R HA 0.038 4.378 4.340 -0.001 0.000 0.213 412 R C -0.415 175.789 176.300 -0.160 0.000 1.055 412 R CA 0.674 56.754 56.100 -0.033 0.000 0.996 412 R CB -0.014 30.262 30.300 -0.040 0.000 0.901 412 R HN 0.562 nan 8.270 nan 0.000 0.456 413 Y N 1.421 121.790 120.300 0.114 0.000 2.837 413 Y HA 0.294 4.843 4.550 -0.001 0.000 0.356 413 Y C -2.189 173.762 175.900 0.084 0.000 1.035 413 Y CA -3.308 54.875 58.100 0.138 0.000 1.165 413 Y CB 0.710 39.352 38.460 0.303 0.000 1.147 413 Y HN -0.066 nan 8.280 nan 0.000 0.628 414 P HA 0.031 nan 4.420 nan 0.000 0.271 414 P C 0.743 178.009 177.300 -0.056 0.000 1.216 414 P CA 0.174 63.294 63.100 0.032 0.000 0.776 414 P CB 2.573 34.282 31.700 0.017 0.000 0.881 415 V N 2.824 122.622 119.914 -0.194 0.000 2.273 415 V HA -0.122 3.998 4.120 -0.001 0.000 0.242 415 V C 0.536 176.293 176.094 -0.563 0.000 1.035 415 V CA 1.644 63.629 62.300 -0.525 0.000 1.013 415 V CB -1.107 30.178 31.823 -0.898 0.000 0.652 415 V HN 0.447 nan 8.190 nan 0.000 0.452 416 Y N -0.005 120.214 120.300 -0.136 0.000 2.388 416 Y HA 0.731 5.281 4.550 -0.000 0.000 0.328 416 Y C 0.283 176.157 175.900 -0.044 0.000 0.963 416 Y CA -0.545 57.508 58.100 -0.079 0.000 1.240 416 Y CB 0.819 39.234 38.460 -0.075 0.000 1.118 416 Y HN 0.169 nan 8.280 nan 0.000 0.484 417 A N 0.000 122.878 122.820 0.097 0.000 2.254 417 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 417 A CA 0.000 52.073 52.037 0.061 0.000 0.836 417 A CB 0.000 19.017 19.000 0.029 0.000 0.831 417 A HN 0.000 nan 8.150 nan 0.000 0.486