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_B 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 -0.031 0.000 0.988 1 M CB 0.000 32.583 32.600 -0.028 0.000 1.302 2 L N 4.376 125.571 121.223 -0.046 0.000 2.276 2 L HA 0.523 4.863 4.340 -0.000 0.000 0.286 2 L C 0.596 177.431 176.870 -0.058 0.000 1.024 2 L CA -0.570 54.234 54.840 -0.059 0.000 0.826 2 L CB 1.330 43.350 42.059 -0.065 0.000 1.211 2 L HN 0.856 nan 8.230 nan 0.000 0.422 3 K N 2.127 122.490 120.400 -0.061 0.000 2.436 3 K HA 0.026 4.346 4.320 -0.000 0.000 0.282 3 K C 0.893 177.455 176.600 -0.063 0.000 1.044 3 K CA -0.120 56.133 56.287 -0.057 0.000 1.028 3 K CB 0.091 32.557 32.500 -0.056 0.000 0.919 3 K HN 0.645 nan 8.250 nan 0.000 0.474 4 R N 1.285 121.752 120.500 -0.055 0.000 2.303 4 R HA -0.137 4.203 4.340 -0.000 0.000 0.225 4 R C 1.707 177.971 176.300 -0.060 0.000 1.114 4 R CA 2.126 58.193 56.100 -0.055 0.000 1.007 4 R CB 0.045 30.317 30.300 -0.046 0.000 0.861 4 R HN 0.939 nan 8.270 nan 0.000 0.471 5 E N -0.850 119.313 120.200 -0.062 0.000 2.489 5 E HA -0.018 4.332 4.350 -0.000 0.000 0.193 5 E C -0.165 176.385 176.600 -0.083 0.000 1.057 5 E CA -0.081 56.279 56.400 -0.067 0.000 0.866 5 E CB -0.025 29.640 29.700 -0.058 0.000 0.916 5 E HN 0.268 nan 8.360 nan 0.000 0.500 6 M N 2.888 122.432 119.600 -0.092 0.000 2.252 6 M HA 0.061 4.541 4.480 -0.000 0.000 0.348 6 M C -0.216 176.011 176.300 -0.122 0.000 1.334 6 M CA 0.418 55.648 55.300 -0.117 0.000 1.071 6 M CB 0.064 32.577 32.600 -0.145 0.000 1.763 6 M HN 0.179 nan 8.290 nan 0.000 0.452 7 N N 1.855 120.476 118.700 -0.132 0.000 2.571 7 N HA 0.517 5.257 4.740 -0.000 0.000 0.273 7 N C -0.099 175.327 175.510 -0.141 0.000 1.340 7 N CA -0.952 52.002 53.050 -0.159 0.000 0.789 7 N CB 1.176 39.526 38.487 -0.229 0.000 1.514 7 N HN 0.548 nan 8.380 nan 0.000 0.499 8 I N -0.329 120.137 120.570 -0.173 0.000 2.406 8 I HA -0.078 4.092 4.170 -0.000 0.000 0.249 8 I C 2.377 178.373 176.117 -0.200 0.000 1.122 8 I CA 1.020 62.291 61.300 -0.049 0.000 1.431 8 I CB -0.560 37.532 38.000 0.154 0.000 1.087 8 I HN 0.785 nan 8.210 nan 0.000 0.424 9 A N 2.000 124.383 122.820 -0.729 0.000 1.859 9 A HA -0.307 4.013 4.320 -0.000 0.000 0.217 9 A C 1.818 179.203 177.584 -0.331 0.000 1.198 9 A CA 2.628 54.124 52.037 -0.902 0.000 0.629 9 A CB -0.939 17.335 19.000 -1.211 0.000 0.830 9 A HN 0.605 nan 8.150 nan 0.000 0.446 10 D N -3.434 116.834 120.400 -0.221 0.000 2.349 10 D HA -0.020 4.620 4.640 -0.000 0.000 0.224 10 D C 1.126 177.432 176.300 0.010 0.000 1.029 10 D CA 0.707 54.654 54.000 -0.089 0.000 0.879 10 D CB -0.204 40.551 40.800 -0.074 0.000 0.906 10 D HN 0.574 nan 8.370 nan 0.000 0.528 11 Y N 0.008 120.244 120.300 -0.106 0.000 2.607 11 Y HA 0.234 4.784 4.550 -0.000 0.000 0.276 11 Y C -0.311 175.573 175.900 -0.026 0.000 1.117 11 Y CA -0.054 58.010 58.100 -0.060 0.000 1.273 11 Y CB 0.921 39.345 38.460 -0.061 0.000 1.282 11 Y HN -0.149 nan 8.280 nan 0.000 0.514 12 D N 0.491 120.870 120.400 -0.035 0.000 2.405 12 D HA 0.352 4.992 4.640 -0.000 0.000 0.264 12 D C 0.733 177.069 176.300 0.061 0.000 1.240 12 D CA 0.422 54.392 54.000 -0.051 0.000 0.893 12 D CB 1.114 41.964 40.800 0.083 0.000 1.198 12 D HN 0.342 nan 8.370 nan 0.000 0.514 13 A N 2.776 125.611 122.820 0.026 0.000 1.908 13 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 13 A C 1.876 179.532 177.584 0.120 0.000 1.181 13 A CA 1.294 53.389 52.037 0.098 0.000 0.627 13 A CB -0.186 18.841 19.000 0.045 0.000 0.818 13 A HN 0.563 nan 8.150 nan 0.000 0.445 14 E N -0.819 119.416 120.200 0.059 0.000 2.023 14 E HA -0.230 4.120 4.350 -0.000 0.000 0.196 14 E C 2.012 178.653 176.600 0.068 0.000 1.003 14 E CA 1.439 57.868 56.400 0.048 0.000 0.809 14 E CB -0.355 29.356 29.700 0.019 0.000 0.755 14 E HN 0.509 nan 8.360 nan 0.000 0.449 15 L N 1.066 122.343 121.223 0.090 0.000 2.017 15 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 15 L C 2.047 179.000 176.870 0.139 0.000 1.073 15 L CA 1.780 56.681 54.840 0.102 0.000 0.745 15 L CB -0.692 41.441 42.059 0.123 0.000 0.894 15 L HN 0.352 nan 8.230 nan 0.000 0.432 16 W N 0.321 121.623 121.300 0.003 0.000 2.338 16 W HA -0.298 4.362 4.660 -0.000 0.000 0.304 16 W C 2.415 178.932 176.519 -0.003 0.000 1.212 16 W CA 1.921 59.268 57.345 0.003 0.000 1.264 16 W CB -0.167 29.297 29.460 0.006 0.000 1.142 16 W HN 0.421 nan 8.180 nan 0.000 0.512 17 Q N 0.288 120.099 119.800 0.018 0.000 2.124 17 Q HA -0.192 4.148 4.340 -0.000 0.000 0.202 17 Q C 2.365 178.274 176.000 -0.152 0.000 0.977 17 Q CA 2.054 57.804 55.803 -0.088 0.000 0.850 17 Q CB -0.361 28.382 28.738 0.009 0.000 0.901 17 Q HN 0.241 nan 8.270 nan 0.000 0.429 18 A N 0.428 123.187 122.820 -0.102 0.000 1.898 18 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 18 A C 2.023 179.510 177.584 -0.162 0.000 1.181 18 A CA 1.443 53.421 52.037 -0.099 0.000 0.620 18 A CB -0.469 18.501 19.000 -0.049 0.000 0.819 18 A HN 0.423 nan 8.150 nan 0.000 0.442 19 M N -0.849 118.613 119.600 -0.230 0.000 2.117 19 M HA -0.132 4.348 4.480 -0.000 0.000 0.262 19 M C 2.028 178.085 176.300 -0.405 0.000 1.065 19 M CA 1.298 56.417 55.300 -0.301 0.000 1.114 19 M CB -0.337 32.052 32.600 -0.352 0.000 1.361 19 M HN 0.312 nan 8.290 nan 0.000 0.408 20 E N 0.478 120.331 120.200 -0.578 0.000 2.110 20 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 20 E C 1.962 178.406 176.600 -0.260 0.000 0.988 20 E CA 1.233 57.341 56.400 -0.486 0.000 0.804 20 E CB -0.315 29.068 29.700 -0.529 0.000 0.745 20 E HN 0.640 nan 8.360 nan 0.000 0.458 21 Q N 0.217 119.892 119.800 -0.208 0.000 2.119 21 Q HA -0.174 4.166 4.340 -0.000 0.000 0.201 21 Q C 2.055 177.977 176.000 -0.131 0.000 0.972 21 Q CA 1.237 56.958 55.803 -0.137 0.000 0.847 21 Q CB -0.062 28.613 28.738 -0.105 0.000 0.903 21 Q HN 0.090 nan 8.270 nan 0.000 0.433 22 E N 1.666 121.784 120.200 -0.137 0.000 2.106 22 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 22 E C 1.733 178.275 176.600 -0.096 0.000 0.984 22 E CA 1.276 57.610 56.400 -0.111 0.000 0.806 22 E CB 0.002 29.646 29.700 -0.094 0.000 0.750 22 E HN 0.173 nan 8.360 nan 0.000 0.458 23 K N -0.342 119.985 120.400 -0.121 0.000 2.057 23 K HA -0.096 4.224 4.320 -0.000 0.000 0.207 23 K C 1.907 178.471 176.600 -0.059 0.000 1.049 23 K CA 1.497 57.728 56.287 -0.093 0.000 0.931 23 K CB -0.023 32.389 32.500 -0.147 0.000 0.714 23 K HN 0.088 nan 8.250 nan 0.000 0.440 24 V N 1.240 121.106 119.914 -0.080 0.000 2.453 24 V HA -0.155 3.965 4.120 -0.000 0.000 0.247 24 V C 2.497 178.552 176.094 -0.065 0.000 1.048 24 V CA 1.664 63.931 62.300 -0.055 0.000 1.049 24 V CB -0.548 31.241 31.823 -0.056 0.000 0.672 24 V HN 0.386 nan 8.190 nan 0.000 0.457 25 R N 0.082 120.507 120.500 -0.125 0.000 2.105 25 R HA -0.213 4.127 4.340 -0.000 0.000 0.239 25 R C 2.254 178.450 176.300 -0.173 0.000 1.135 25 R CA 1.805 57.748 56.100 -0.261 0.000 0.967 25 R CB -0.179 29.916 30.300 -0.343 0.000 0.861 25 R HN 0.577 nan 8.270 nan 0.000 0.442 26 Q N -0.545 119.226 119.800 -0.049 0.000 2.291 26 Q HA -0.114 4.226 4.340 -0.000 0.000 0.205 26 Q C 1.535 177.555 176.000 0.034 0.000 0.970 26 Q CA 0.932 56.770 55.803 0.058 0.000 0.876 26 Q CB 0.264 29.074 28.738 0.121 0.000 0.935 26 Q HN 0.330 nan 8.270 nan 0.000 0.455 27 E N 0.528 120.735 120.200 0.013 0.000 2.102 27 E HA -0.070 4.280 4.350 -0.000 0.000 0.190 27 E C 1.230 177.877 176.600 0.078 0.000 0.971 27 E CA 0.738 57.150 56.400 0.020 0.000 0.821 27 E CB 0.238 29.951 29.700 0.020 0.000 0.777 27 E HN 0.434 nan 8.360 nan 0.000 0.460 28 E N -0.115 120.142 120.200 0.094 0.000 2.489 28 E HA 0.037 4.387 4.350 -0.000 0.000 0.193 28 E C 0.217 177.009 176.600 0.319 0.000 1.057 28 E CA 0.170 56.673 56.400 0.172 0.000 0.866 28 E CB 0.205 29.997 29.700 0.153 0.000 0.916 28 E HN 0.320 nan 8.360 nan 0.000 0.500 29 H N 0.382 119.494 119.070 0.070 0.000 2.492 29 H HA 0.276 4.832 4.556 -0.000 0.000 0.345 29 H C -0.275 175.104 175.328 0.085 0.000 1.136 29 H CA -1.052 55.041 56.048 0.075 0.000 1.202 29 H CB 1.745 31.545 29.762 0.064 0.000 1.524 29 H HN -0.066 nan 8.280 nan 0.000 0.506 30 I N 3.293 123.954 120.570 0.152 0.000 2.322 30 I HA 0.014 4.184 4.170 -0.000 0.000 0.292 30 I C 0.300 176.454 176.117 0.061 0.000 1.060 30 I CA -0.155 61.193 61.300 0.080 0.000 1.309 30 I CB 0.612 38.666 38.000 0.090 0.000 1.415 30 I HN 0.480 nan 8.210 nan 0.000 0.492 31 E N 7.398 127.630 120.200 0.054 0.000 2.194 31 E HA 0.262 4.612 4.350 -0.000 0.000 0.284 31 E C 0.272 176.837 176.600 -0.059 0.000 1.035 31 E CA -0.229 56.180 56.400 0.015 0.000 0.836 31 E CB 2.001 31.697 29.700 -0.008 0.000 1.070 31 E HN 0.510 nan 8.360 nan 0.000 0.401 32 L N 3.693 124.884 121.223 -0.053 0.000 3.122 32 L HA 0.337 4.677 4.340 -0.000 0.000 0.274 32 L C 0.423 177.235 176.870 -0.097 0.000 1.222 32 L CA -0.131 54.658 54.840 -0.085 0.000 1.028 32 L CB 0.375 42.386 42.059 -0.080 0.000 1.386 32 L HN 0.373 nan 8.230 nan 0.000 0.578 33 I N 0.996 121.526 120.570 -0.068 0.000 2.494 33 I HA 0.011 4.181 4.170 -0.000 0.000 0.289 33 I C 1.673 177.774 176.117 -0.026 0.000 1.106 33 I CA -0.041 61.231 61.300 -0.046 0.000 1.369 33 I CB 1.488 39.476 38.000 -0.021 0.000 1.410 33 I HN 0.198 nan 8.210 nan 0.000 0.523 34 A N 4.692 127.510 122.820 -0.004 0.000 1.986 34 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 34 A C 2.180 179.868 177.584 0.173 0.000 1.171 34 A CA 2.249 54.346 52.037 0.101 0.000 0.640 34 A CB -0.490 18.561 19.000 0.084 0.000 0.811 34 A HN 0.792 nan 8.150 nan 0.000 0.451 35 S N -0.987 114.777 115.700 0.106 0.000 2.575 35 S HA 0.199 4.669 4.470 -0.000 0.000 0.215 35 S C 0.355 174.921 174.600 -0.056 0.000 0.966 35 S CA -0.222 57.943 58.200 -0.058 0.000 0.911 35 S CB 0.019 63.213 63.200 -0.010 0.000 0.780 35 S HN 0.639 nan 8.310 nan 0.000 0.514 36 E N 0.864 121.038 120.200 -0.043 0.000 2.243 36 E HA 0.563 4.913 4.350 -0.000 0.000 0.260 36 E C -0.507 176.002 176.600 -0.151 0.000 0.985 36 E CA -0.871 55.486 56.400 -0.072 0.000 0.858 36 E CB 0.887 30.535 29.700 -0.087 0.000 1.210 36 E HN 0.153 nan 8.360 nan 0.000 0.411 37 N N -0.431 118.144 118.700 -0.209 0.000 3.449 37 N HA 0.238 4.978 4.740 -0.000 0.000 0.312 37 N C -1.990 173.292 175.510 -0.380 0.000 1.557 37 N CA -0.462 52.407 53.050 -0.300 0.000 0.864 37 N CB 0.922 39.367 38.487 -0.070 0.000 1.799 37 N HN 0.287 nan 8.380 nan 0.000 0.554 38 Y N 0.296 120.614 120.300 0.030 0.000 2.363 38 Y HA 0.313 4.863 4.550 -0.000 0.000 0.325 38 Y C 0.638 176.582 175.900 0.074 0.000 0.984 38 Y CA -0.534 57.587 58.100 0.036 0.000 1.248 38 Y CB 1.283 39.658 38.460 -0.141 0.000 1.116 38 Y HN 0.261 nan 8.280 nan 0.000 0.470 39 T N 2.161 116.880 114.554 0.276 0.000 2.898 39 T HA 0.293 4.642 4.350 -0.000 0.000 0.301 39 T C 0.526 175.378 174.700 0.253 0.000 1.049 39 T CA -0.385 61.836 62.100 0.201 0.000 1.095 39 T CB 0.324 69.279 68.868 0.146 0.000 0.976 39 T HN 0.751 nan 8.240 nan 0.000 0.539 40 S N 3.974 119.775 115.700 0.168 0.000 2.593 40 S HA 0.263 4.733 4.470 -0.000 0.000 0.269 40 S C -1.804 172.883 174.600 0.144 0.000 1.334 40 S CA -1.030 57.274 58.200 0.173 0.000 1.015 40 S CB 0.691 63.947 63.200 0.093 0.000 0.912 40 S HN 0.525 nan 8.310 nan 0.000 0.541 41 P HA -0.046 nan 4.420 nan 0.000 0.221 41 P C 1.352 178.667 177.300 0.025 0.000 1.145 41 P CA 0.982 64.105 63.100 0.038 0.000 0.795 41 P CB 0.059 31.781 31.700 0.036 0.000 0.775 42 R N -0.767 119.755 120.500 0.037 0.000 2.075 42 R HA -0.051 4.288 4.340 -0.000 0.000 0.232 42 R C 2.017 178.328 176.300 0.018 0.000 1.126 42 R CA 1.195 57.307 56.100 0.021 0.000 0.963 42 R CB -1.264 29.047 30.300 0.018 0.000 0.858 42 R HN 0.145 nan 8.270 nan 0.000 0.435 43 V N 1.502 121.433 119.914 0.028 0.000 2.358 43 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 43 V C 2.368 178.474 176.094 0.019 0.000 1.047 43 V CA 1.704 64.018 62.300 0.024 0.000 1.035 43 V CB -0.370 31.476 31.823 0.038 0.000 0.658 43 V HN 0.302 nan 8.190 nan 0.000 0.452 44 M N -0.682 118.929 119.600 0.017 0.000 2.159 44 M HA -0.236 4.244 4.480 -0.000 0.000 0.263 44 M C 2.347 178.649 176.300 0.004 0.000 1.063 44 M CA 1.769 57.070 55.300 0.003 0.000 1.110 44 M CB -0.482 32.100 32.600 -0.030 0.000 1.374 44 M HN 0.376 nan 8.290 nan 0.000 0.411 45 Q N 0.492 120.294 119.800 0.003 0.000 2.084 45 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 45 Q C 2.076 178.083 176.000 0.012 0.000 0.978 45 Q CA 1.820 57.625 55.803 0.003 0.000 0.844 45 Q CB -0.035 28.703 28.738 0.001 0.000 0.898 45 Q HN 0.544 nan 8.270 nan 0.000 0.426 46 A N 0.560 123.389 122.820 0.016 0.000 1.898 46 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 46 A C 1.893 179.510 177.584 0.054 0.000 1.181 46 A CA 1.467 53.519 52.037 0.025 0.000 0.620 46 A CB -0.504 18.506 19.000 0.015 0.000 0.819 46 A HN 0.496 nan 8.150 nan 0.000 0.442 47 Q N -0.972 118.859 119.800 0.051 0.000 2.291 47 Q HA -0.073 4.267 4.340 -0.000 0.000 0.205 47 Q C 1.576 177.660 176.000 0.139 0.000 0.970 47 Q CA 0.869 56.734 55.803 0.103 0.000 0.876 47 Q CB -0.202 28.563 28.738 0.045 0.000 0.935 47 Q HN 0.659 nan 8.270 nan 0.000 0.455 48 G N 0.584 109.420 108.800 0.060 0.000 3.434 48 G HA2 0.064 4.024 3.960 -0.000 0.000 0.258 48 G HA3 0.064 4.024 3.960 -0.000 0.000 0.258 48 G C 0.287 175.185 174.900 -0.002 0.000 1.128 48 G CA -0.024 45.091 45.100 0.026 0.000 0.792 48 G HN 0.250 nan 8.290 nan 0.000 0.539 49 S N -0.992 114.714 115.700 0.009 0.000 2.686 49 S HA 0.233 4.703 4.470 -0.000 0.000 0.270 49 S C 0.968 175.534 174.600 -0.057 0.000 1.194 49 S CA -0.489 57.702 58.200 -0.015 0.000 0.990 49 S CB 1.196 64.400 63.200 0.005 0.000 1.029 49 S HN 0.209 nan 8.310 nan 0.000 0.560 50 Q N -0.156 119.611 119.800 -0.055 0.000 2.482 50 Q HA 0.204 4.544 4.340 -0.000 0.000 0.209 50 Q C 1.315 177.267 176.000 -0.080 0.000 0.961 50 Q CA 0.182 55.939 55.803 -0.076 0.000 0.945 50 Q CB -0.550 28.154 28.738 -0.056 0.000 1.012 50 Q HN 0.609 nan 8.270 nan 0.000 0.515 51 L N -0.127 121.066 121.223 -0.050 0.000 2.456 51 L HA -0.116 4.224 4.340 -0.000 0.000 0.224 51 L C 2.295 179.114 176.870 -0.086 0.000 1.148 51 L CA 0.868 55.694 54.840 -0.023 0.000 0.825 51 L CB -0.509 41.577 42.059 0.045 0.000 0.937 51 L HN 0.231 nan 8.230 nan 0.000 0.450 52 T N -0.264 114.131 114.554 -0.265 0.000 3.007 52 T HA -0.080 4.269 4.350 -0.000 0.000 0.270 52 T C 1.570 176.098 174.700 -0.286 0.000 1.107 52 T CA 1.048 62.833 62.100 -0.526 0.000 1.118 52 T CB -0.124 68.247 68.868 -0.828 0.000 0.889 52 T HN 0.331 nan 8.240 nan 0.000 0.506 53 N N 0.896 119.485 118.700 -0.186 0.000 2.463 53 N HA 0.051 4.791 4.740 -0.000 0.000 0.181 53 N C 0.437 175.878 175.510 -0.114 0.000 1.078 53 N CA 0.435 53.406 53.050 -0.132 0.000 0.902 53 N CB 0.097 38.531 38.487 -0.087 0.000 0.970 53 N HN 0.232 nan 8.380 nan 0.000 0.451 54 K N 0.799 121.126 120.400 -0.121 0.000 2.227 54 K HA 0.161 4.481 4.320 -0.000 0.000 0.280 54 K C -1.043 175.430 176.600 -0.211 0.000 1.041 54 K CA -0.530 55.690 56.287 -0.111 0.000 0.905 54 K CB 0.357 32.822 32.500 -0.058 0.000 1.068 54 K HN -0.042 nan 8.250 nan 0.000 0.470 55 Y N 0.811 120.931 120.300 -0.300 0.000 2.327 55 Y HA 0.328 4.878 4.550 -0.000 0.000 0.336 55 Y C 0.327 175.916 175.900 -0.518 0.000 1.035 55 Y CA -0.206 57.576 58.100 -0.530 0.000 1.165 55 Y CB 1.483 39.356 38.460 -0.978 0.000 1.181 55 Y HN 0.623 nan 8.280 nan 0.000 0.494 56 A N 4.692 127.415 122.820 -0.162 0.000 3.234 56 A HA 0.290 4.610 4.320 -0.000 0.000 0.247 56 A C -0.352 177.208 177.584 -0.039 0.000 0.938 56 A CA -0.629 51.389 52.037 -0.033 0.000 1.039 56 A CB -0.261 18.703 19.000 -0.060 0.000 1.197 56 A HN 0.771 nan 8.150 nan 0.000 0.498 57 E N 0.303 120.558 120.200 0.091 0.000 2.415 57 E HA 0.423 4.773 4.350 -0.000 0.000 0.262 57 E C 0.932 177.401 176.600 -0.217 0.000 1.038 57 E CA 1.064 57.260 56.400 -0.340 0.000 0.921 57 E CB 0.738 30.264 29.700 -0.290 0.000 0.950 57 E HN 1.083 nan 8.360 nan 0.000 0.438 58 G N 1.108 109.547 108.800 -0.601 0.000 2.472 58 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.205 58 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.205 58 G C -1.497 173.113 174.900 -0.482 0.000 1.270 58 G CA -0.760 44.300 45.100 -0.067 0.000 0.974 58 G HN 0.428 nan 8.290 nan 0.000 0.542 59 Y N 0.759 121.131 120.300 0.120 0.000 2.602 59 Y HA 0.615 5.165 4.550 -0.000 0.000 0.342 59 Y C -1.747 174.179 175.900 0.043 0.000 1.029 59 Y CA -1.598 56.544 58.100 0.070 0.000 1.080 59 Y CB 2.115 40.629 38.460 0.089 0.000 1.284 59 Y HN 0.470 nan 8.280 nan 0.000 0.485 60 P HA -0.038 nan 4.420 nan 0.000 0.258 60 P C 0.722 178.069 177.300 0.078 0.000 1.172 60 P CA 2.052 65.204 63.100 0.088 0.000 0.762 60 P CB 0.278 32.022 31.700 0.073 0.000 0.764 61 G N 1.598 110.422 108.800 0.040 0.000 2.253 61 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.251 61 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.251 61 G C 0.421 175.334 174.900 0.023 0.000 0.998 61 G CA 0.425 45.539 45.100 0.024 0.000 0.621 61 G HN 0.912 nan 8.290 nan 0.000 0.524 62 K N 0.690 121.121 120.400 0.052 0.000 2.954 62 K HA 0.705 5.025 4.320 -0.000 0.000 0.171 62 K C 0.449 177.061 176.600 0.019 0.000 1.079 62 K CA -0.404 55.901 56.287 0.029 0.000 0.908 62 K CB 0.281 32.831 32.500 0.084 0.000 1.142 62 K HN 0.436 nan 8.250 nan 0.000 0.613 63 R N -0.540 119.948 120.500 -0.019 0.000 2.608 63 R HA 0.475 4.815 4.340 -0.000 0.000 0.255 63 R C -0.228 176.009 176.300 -0.105 0.000 1.086 63 R CA -0.639 55.477 56.100 0.027 0.000 1.125 63 R CB 0.403 30.749 30.300 0.076 0.000 1.193 63 R HN 0.498 nan 8.270 nan 0.000 0.553 64 Y N -0.779 119.535 120.300 0.022 0.000 2.467 64 Y HA 0.251 4.801 4.550 -0.000 0.000 0.250 64 Y C -0.433 175.193 175.900 -0.457 0.000 1.155 64 Y CA 0.010 58.002 58.100 -0.181 0.000 1.249 64 Y CB 0.474 38.798 38.460 -0.226 0.000 1.146 64 Y HN 0.381 nan 8.280 nan 0.000 0.524 65 Y N -1.186 119.164 120.300 0.084 0.000 2.581 65 Y HA 0.639 5.189 4.550 0.000 0.000 0.345 65 Y C 0.686 176.595 175.900 0.015 0.000 1.036 65 Y CA -1.939 56.190 58.100 0.049 0.000 1.042 65 Y CB 0.962 39.462 38.460 0.066 0.000 1.289 65 Y HN -0.122 nan 8.280 nan 0.000 0.471 66 G N -0.463 108.434 108.800 0.162 0.000 2.580 66 G HA2 0.429 4.389 3.960 -0.000 0.000 0.278 66 G HA3 0.429 4.389 3.960 -0.000 0.000 0.278 66 G C 0.657 175.603 174.900 0.076 0.000 1.212 66 G CA -0.310 44.838 45.100 0.079 0.000 0.939 66 G HN 1.475 nan 8.290 nan 0.000 0.513 67 G N -2.227 106.587 108.800 0.024 0.000 2.176 67 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.252 67 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.252 67 G C 0.648 175.542 174.900 -0.012 0.000 1.024 67 G CA 0.438 45.542 45.100 0.007 0.000 0.755 67 G HN 0.964 nan 8.290 nan 0.000 0.507 68 C N 0.043 119.323 119.300 -0.032 0.000 2.778 68 C HA 0.367 4.827 4.460 -0.000 0.000 0.294 68 C C 2.081 177.002 174.990 -0.116 0.000 1.331 68 C CA 0.125 59.121 59.018 -0.037 0.000 1.741 68 C CB -0.389 27.356 27.740 0.007 0.000 2.106 68 C HN 0.637 nan 8.230 nan 0.000 0.603 69 E N 0.852 120.891 120.200 -0.268 0.000 2.118 69 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 69 E C 1.134 177.484 176.600 -0.417 0.000 0.992 69 E CA 1.708 57.853 56.400 -0.425 0.000 0.804 69 E CB -0.251 29.023 29.700 -0.710 0.000 0.741 69 E HN 0.717 nan 8.360 nan 0.000 0.458 70 Y N -0.433 119.871 120.300 0.006 0.000 2.347 70 Y HA 0.004 4.554 4.550 -0.000 0.000 0.294 70 Y C 2.286 178.186 175.900 0.000 0.000 1.117 70 Y CA 0.587 58.689 58.100 0.002 0.000 1.184 70 Y CB -0.735 37.725 38.460 -0.001 0.000 1.047 70 Y HN 0.013 nan 8.280 nan 0.000 0.546 71 V N -2.306 117.671 119.914 0.105 0.000 2.809 71 V HA -0.144 3.976 4.120 -0.000 0.000 0.256 71 V C 1.477 177.590 176.094 0.031 0.000 1.080 71 V CA 1.883 64.218 62.300 0.059 0.000 1.102 71 V CB -0.440 31.399 31.823 0.027 0.000 0.705 71 V HN 0.113 nan 8.190 nan 0.000 0.475 72 D N 1.017 121.426 120.400 0.014 0.000 2.117 72 D HA -0.042 4.598 4.640 -0.000 0.000 0.197 72 D C 2.041 178.355 176.300 0.023 0.000 0.987 72 D CA 1.694 55.699 54.000 0.009 0.000 0.829 72 D CB -0.225 40.567 40.800 -0.012 0.000 0.961 72 D HN 0.506 nan 8.370 nan 0.000 0.460 73 I N 0.049 120.642 120.570 0.038 0.000 2.226 73 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 73 I C 2.302 178.442 176.117 0.039 0.000 1.100 73 I CA 0.523 61.851 61.300 0.047 0.000 1.374 73 I CB -0.145 37.905 38.000 0.083 0.000 1.057 73 I HN -0.088 nan 8.210 nan 0.000 0.413 74 V N 0.780 120.720 119.914 0.044 0.000 2.287 74 V HA -0.324 3.796 4.120 -0.000 0.000 0.248 74 V C 2.496 178.599 176.094 0.016 0.000 1.053 74 V CA 2.298 64.616 62.300 0.029 0.000 1.027 74 V CB -0.663 31.180 31.823 0.032 0.000 0.646 74 V HN 0.495 nan 8.190 nan 0.000 0.447 75 E N -0.346 119.864 120.200 0.015 0.000 2.106 75 E HA -0.303 4.047 4.350 -0.000 0.000 0.192 75 E C 2.244 178.850 176.600 0.011 0.000 0.984 75 E CA 1.351 57.757 56.400 0.010 0.000 0.806 75 E CB -0.060 29.648 29.700 0.013 0.000 0.750 75 E HN 0.547 nan 8.360 nan 0.000 0.458 76 Q N 0.603 120.412 119.800 0.016 0.000 2.124 76 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 76 Q C 2.087 178.087 176.000 -0.001 0.000 0.977 76 Q CA 1.277 57.086 55.803 0.010 0.000 0.850 76 Q CB -0.198 28.549 28.738 0.015 0.000 0.901 76 Q HN 0.383 nan 8.270 nan 0.000 0.429 77 L N -0.591 120.634 121.223 0.002 0.000 2.046 77 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 77 L C 2.311 179.173 176.870 -0.013 0.000 1.077 77 L CA 1.164 56.001 54.840 -0.004 0.000 0.747 77 L CB -0.734 41.325 42.059 -0.001 0.000 0.896 77 L HN 0.313 nan 8.230 nan 0.000 0.432 78 A N 0.203 123.017 122.820 -0.011 0.000 1.902 78 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 78 A C 2.184 179.754 177.584 -0.023 0.000 1.181 78 A CA 1.512 53.540 52.037 -0.016 0.000 0.623 78 A CB -0.638 18.355 19.000 -0.012 0.000 0.818 78 A HN 0.351 nan 8.150 nan 0.000 0.443 79 I N -0.093 120.458 120.570 -0.031 0.000 2.179 79 I HA -0.248 3.922 4.170 -0.000 0.000 0.242 79 I C 1.892 177.977 176.117 -0.053 0.000 1.088 79 I CA 1.601 62.865 61.300 -0.060 0.000 1.357 79 I CB -0.481 37.478 38.000 -0.068 0.000 1.051 79 I HN 0.264 nan 8.210 nan 0.000 0.409 80 D N 0.701 121.080 120.400 -0.035 0.000 2.117 80 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 80 D C 2.322 178.605 176.300 -0.028 0.000 0.987 80 D CA 1.084 55.067 54.000 -0.028 0.000 0.829 80 D CB -0.245 40.544 40.800 -0.019 0.000 0.961 80 D HN 0.343 nan 8.370 nan 0.000 0.460 81 R N 0.723 121.205 120.500 -0.030 0.000 2.115 81 R HA 0.093 4.433 4.340 -0.000 0.000 0.226 81 R C 2.194 178.472 176.300 -0.037 0.000 1.100 81 R CA 0.905 56.979 56.100 -0.043 0.000 0.980 81 R CB -0.250 30.020 30.300 -0.049 0.000 0.875 81 R HN 0.086 nan 8.270 nan 0.000 0.445 82 A N 2.073 124.893 122.820 -0.000 0.000 1.898 82 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 82 A C 1.997 179.649 177.584 0.113 0.000 1.181 82 A CA 1.178 53.266 52.037 0.084 0.000 0.620 82 A CB -0.188 18.849 19.000 0.062 0.000 0.819 82 A HN 0.177 nan 8.150 nan 0.000 0.442 83 K N -0.592 119.826 120.400 0.029 0.000 2.025 83 K HA -0.169 4.151 4.320 -0.000 0.000 0.207 83 K C 2.125 178.741 176.600 0.026 0.000 1.049 83 K CA 1.511 57.815 56.287 0.028 0.000 0.933 83 K CB -0.154 32.337 32.500 -0.015 0.000 0.714 83 K HN 0.697 nan 8.250 nan 0.000 0.438 84 E N 1.022 121.215 120.200 -0.012 0.000 2.106 84 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 84 E C 2.029 178.581 176.600 -0.080 0.000 0.984 84 E CA 0.561 56.941 56.400 -0.033 0.000 0.806 84 E CB 0.071 29.747 29.700 -0.041 0.000 0.750 84 E HN 0.078 nan 8.360 nan 0.000 0.458 85 L N -0.227 120.900 121.223 -0.159 0.000 2.141 85 L HA -0.072 4.268 4.340 -0.000 0.000 0.209 85 L C 1.288 177.864 176.870 -0.490 0.000 1.094 85 L CA 1.640 56.255 54.840 -0.375 0.000 0.763 85 L CB -0.141 41.568 42.059 -0.582 0.000 0.908 85 L HN 0.144 nan 8.230 nan 0.000 0.437 86 F N -0.449 119.498 119.950 -0.005 0.000 2.678 86 F HA 0.445 4.972 4.527 -0.000 0.000 0.305 86 F C 1.681 177.482 175.800 0.003 0.000 1.090 86 F CA 0.154 58.156 58.000 0.004 0.000 1.272 86 F CB -0.208 38.787 39.000 -0.008 0.000 1.060 86 F HN 0.076 nan 8.300 nan 0.000 0.576 87 G N 1.234 110.106 108.800 0.119 0.000 2.225 87 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.264 87 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.264 87 G C 0.106 175.054 174.900 0.079 0.000 1.060 87 G CA 0.052 45.199 45.100 0.078 0.000 0.833 87 G HN 0.658 nan 8.290 nan 0.000 0.498 88 A N -0.543 122.329 122.820 0.087 0.000 2.311 88 A HA 0.778 5.098 4.320 -0.000 0.000 0.334 88 A C 0.832 178.443 177.584 0.046 0.000 1.139 88 A CA 0.333 52.409 52.037 0.065 0.000 0.830 88 A CB 0.909 19.942 19.000 0.056 0.000 1.234 88 A HN 0.669 nan 8.150 nan 0.000 0.483 89 D N -1.767 118.669 120.400 0.060 0.000 2.398 89 D HA 0.185 4.825 4.640 -0.000 0.000 0.210 89 D C -0.419 175.894 176.300 0.021 0.000 1.094 89 D CA 0.226 54.266 54.000 0.067 0.000 0.839 89 D CB 0.019 40.899 40.800 0.134 0.000 0.963 89 D HN 0.362 nan 8.370 nan 0.000 0.506 90 Y N 0.697 120.855 120.300 -0.238 0.000 2.470 90 Y HA 0.629 5.179 4.550 -0.000 0.000 0.341 90 Y C -1.911 173.823 175.900 -0.277 0.000 1.021 90 Y CA -1.200 56.631 58.100 -0.448 0.000 1.025 90 Y CB 1.852 39.599 38.460 -1.187 0.000 1.266 90 Y HN 0.080 nan 8.280 nan 0.000 0.448 91 A N 5.016 127.141 122.820 -1.158 0.000 2.517 91 A HA 0.521 4.841 4.320 -0.000 0.000 0.297 91 A C -2.104 174.987 177.584 -0.822 0.000 1.050 91 A CA -0.837 50.735 52.037 -0.774 0.000 0.694 91 A CB 1.562 20.371 19.000 -0.318 0.000 1.277 91 A HN 0.687 nan 8.150 nan 0.000 0.400 92 N N 1.770 120.179 118.700 -0.484 0.000 2.448 92 N HA 0.366 5.106 4.740 -0.000 0.000 0.279 92 N C 0.113 175.582 175.510 -0.070 0.000 1.025 92 N CA 0.009 52.938 53.050 -0.202 0.000 0.898 92 N CB 2.054 40.522 38.487 -0.030 0.000 1.303 92 N HN 0.927 nan 8.380 nan 0.000 0.495 93 V N 1.288 121.187 119.914 -0.026 0.000 3.542 93 V HA 0.225 4.345 4.120 -0.000 0.000 0.296 93 V C 1.294 177.386 176.094 -0.003 0.000 1.364 93 V CA 0.367 62.659 62.300 -0.014 0.000 1.118 93 V CB -0.021 31.792 31.823 -0.017 0.000 0.972 93 V HN 0.544 nan 8.190 nan 0.000 0.430 94 Q N 0.586 120.392 119.800 0.010 0.000 2.331 94 Q HA 0.166 4.506 4.340 -0.000 0.000 0.203 94 Q C -1.547 174.393 176.000 -0.100 0.000 0.944 94 Q CA -0.370 55.409 55.803 -0.040 0.000 0.892 94 Q CB -0.813 27.895 28.738 -0.050 0.000 0.983 94 Q HN 0.549 nan 8.270 nan 0.000 0.482 95 P HA -0.121 nan 4.420 nan 0.000 0.262 95 P C -0.105 177.174 177.300 -0.035 0.000 1.182 95 P CA 0.629 63.687 63.100 -0.069 0.000 0.761 95 P CB 0.427 32.145 31.700 0.029 0.000 0.795 96 H N 0.534 119.623 119.070 0.032 0.000 2.491 96 H HA 0.014 4.570 4.556 -0.000 0.000 0.290 96 H C 1.077 176.414 175.328 0.016 0.000 1.050 96 H CA 1.183 57.233 56.048 0.003 0.000 1.309 96 H CB 0.087 29.845 29.762 -0.006 0.000 1.392 96 H HN 0.501 nan 8.280 nan 0.000 0.554 97 S N -2.665 113.133 115.700 0.163 0.000 2.703 97 S HA 0.414 4.884 4.470 -0.000 0.000 0.273 97 S C 1.338 176.035 174.600 0.161 0.000 1.178 97 S CA -0.376 57.916 58.200 0.154 0.000 0.838 97 S CB 1.085 64.371 63.200 0.143 0.000 1.178 97 S HN 0.097 nan 8.310 nan 0.000 0.494 98 G N 0.978 109.881 108.800 0.172 0.000 2.408 98 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.217 98 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.217 98 G C 1.260 176.284 174.900 0.206 0.000 1.150 98 G CA 1.096 46.276 45.100 0.134 0.000 0.776 98 G HN 0.733 nan 8.290 nan 0.000 0.542 99 S N 0.407 116.254 115.700 0.245 0.000 2.368 99 S HA -0.118 4.352 4.470 -0.000 0.000 0.225 99 S C 2.399 177.226 174.600 0.377 0.000 1.030 99 S CA 1.438 59.862 58.200 0.375 0.000 0.999 99 S CB -0.192 63.224 63.200 0.359 0.000 0.844 99 S HN 0.298 nan 8.310 nan 0.000 0.459 100 Q N 1.111 121.056 119.800 0.241 0.000 2.123 100 Q HA 0.212 4.552 4.340 -0.000 0.000 0.199 100 Q C 2.294 178.431 176.000 0.227 0.000 0.966 100 Q CA 1.288 57.203 55.803 0.186 0.000 0.845 100 Q CB -0.683 28.120 28.738 0.109 0.000 0.907 100 Q HN 0.542 nan 8.270 nan 0.000 0.439 101 A N 0.709 123.651 122.820 0.205 0.000 1.902 101 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 101 A C 1.784 179.507 177.584 0.231 0.000 1.181 101 A CA 1.719 53.862 52.037 0.177 0.000 0.623 101 A CB -0.554 18.534 19.000 0.146 0.000 0.818 101 A HN 0.332 nan 8.150 nan 0.000 0.443 102 N N -0.933 117.990 118.700 0.372 0.000 2.142 102 N HA -0.116 4.624 4.740 -0.000 0.000 0.186 102 N C 1.370 177.226 175.510 0.577 0.000 1.023 102 N CA 1.381 54.745 53.050 0.523 0.000 0.852 102 N CB -0.656 38.285 38.487 0.756 0.000 0.998 102 N HN 0.530 nan 8.380 nan 0.000 0.424 103 F N 1.685 121.860 119.950 0.375 0.000 2.161 103 F HA -0.127 4.400 4.527 -0.000 0.000 0.300 103 F C 2.122 177.971 175.800 0.082 0.000 1.089 103 F CA 1.297 59.349 58.000 0.087 0.000 1.282 103 F CB -0.311 38.455 39.000 -0.391 0.000 1.010 103 F HN 0.045 nan 8.300 nan 0.000 0.485 104 A N -0.247 122.650 122.820 0.127 0.000 1.902 104 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 104 A C 2.311 179.815 177.584 -0.134 0.000 1.181 104 A CA 1.954 53.991 52.037 -0.001 0.000 0.623 104 A CB -1.361 17.685 19.000 0.077 0.000 0.818 104 A HN 0.270 nan 8.150 nan 0.000 0.443 105 V N -1.468 118.338 119.914 -0.181 0.000 2.295 105 V HA -0.293 3.827 4.120 -0.000 0.000 0.246 105 V C 2.340 178.179 176.094 -0.424 0.000 1.049 105 V CA 2.052 64.095 62.300 -0.428 0.000 1.024 105 V CB -1.104 30.177 31.823 -0.903 0.000 0.648 105 V HN 0.650 nan 8.190 nan 0.000 0.447 106 Y N 1.543 121.609 120.300 -0.390 0.000 2.081 106 Y HA -0.298 4.252 4.550 -0.000 0.000 0.280 106 Y C 2.991 178.691 175.900 -0.333 0.000 1.163 106 Y CA 2.336 60.208 58.100 -0.381 0.000 1.135 106 Y CB -0.999 37.317 38.460 -0.240 0.000 0.970 106 Y HN 0.452 nan 8.280 nan 0.000 0.498 107 T N -2.694 111.741 114.554 -0.198 0.000 3.007 107 T HA -0.031 4.319 4.350 -0.000 0.000 0.270 107 T C 1.884 176.495 174.700 -0.149 0.000 1.107 107 T CA 0.810 62.790 62.100 -0.200 0.000 1.118 107 T CB -0.455 68.171 68.868 -0.404 0.000 0.889 107 T HN 0.305 nan 8.240 nan 0.000 0.506 108 A N 1.130 123.838 122.820 -0.187 0.000 1.975 108 A HA 0.434 4.754 4.320 -0.000 0.000 0.215 108 A C 2.225 179.687 177.584 -0.203 0.000 1.170 108 A CA 0.556 52.489 52.037 -0.173 0.000 0.656 108 A CB -0.362 18.526 19.000 -0.187 0.000 0.821 108 A HN 0.528 nan 8.150 nan 0.000 0.449 109 L N -1.075 119.980 121.223 -0.280 0.000 2.515 109 L HA 0.312 4.652 4.340 -0.000 0.000 0.223 109 L C 0.239 177.028 176.870 -0.134 0.000 1.079 109 L CA 0.012 54.656 54.840 -0.326 0.000 0.857 109 L CB -0.058 41.606 42.059 -0.657 0.000 1.050 109 L HN 0.188 nan 8.230 nan 0.000 0.476 110 L N -1.151 120.011 121.223 -0.102 0.000 2.271 110 L HA 0.516 4.856 4.340 -0.000 0.000 0.265 110 L C -0.365 176.577 176.870 0.120 0.000 1.013 110 L CA -0.853 53.995 54.840 0.013 0.000 0.820 110 L CB 1.513 43.530 42.059 -0.069 0.000 1.352 110 L HN -0.164 nan 8.230 nan 0.000 0.443 111 E N 0.533 120.845 120.200 0.187 0.000 2.212 111 E HA 0.397 4.747 4.350 -0.000 0.000 0.268 111 E C -2.471 174.287 176.600 0.263 0.000 0.902 111 E CA -2.116 54.388 56.400 0.174 0.000 0.779 111 E CB 1.846 31.608 29.700 0.103 0.000 1.172 111 E HN 0.186 nan 8.360 nan 0.000 0.409 112 P HA 0.004 nan 4.420 nan 0.000 0.261 112 P C 0.695 178.019 177.300 0.040 0.000 1.173 112 P CA 1.229 64.306 63.100 -0.037 0.000 0.760 112 P CB 0.399 32.045 31.700 -0.091 0.000 0.783 113 G N 1.883 110.709 108.800 0.043 0.000 2.213 113 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.236 113 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.236 113 G C 0.071 175.078 174.900 0.177 0.000 0.991 113 G CA -0.296 44.861 45.100 0.094 0.000 0.629 113 G HN 0.496 nan 8.290 nan 0.000 0.517 114 D N 1.420 121.983 120.400 0.272 0.000 2.400 114 D HA 0.444 5.084 4.640 -0.000 0.000 0.238 114 D C 0.778 177.205 176.300 0.210 0.000 1.157 114 D CA 0.801 54.929 54.000 0.214 0.000 0.889 114 D CB 0.621 41.538 40.800 0.194 0.000 1.199 114 D HN 0.124 nan 8.370 nan 0.000 0.436 115 T N 0.875 115.513 114.554 0.141 0.000 2.817 115 T HA 0.427 4.777 4.350 -0.000 0.000 0.293 115 T C -0.048 174.718 174.700 0.110 0.000 0.964 115 T CA -0.517 61.656 62.100 0.122 0.000 1.085 115 T CB 0.813 69.742 68.868 0.102 0.000 0.921 115 T HN -0.016 nan 8.240 nan 0.000 0.502 116 V N 4.135 124.118 119.914 0.114 0.000 2.656 116 V HA 0.468 4.588 4.120 -0.000 0.000 0.307 116 V C -0.757 175.397 176.094 0.099 0.000 1.051 116 V CA -0.982 61.381 62.300 0.104 0.000 0.893 116 V CB 2.030 33.933 31.823 0.133 0.000 0.999 116 V HN 0.646 nan 8.190 nan 0.000 0.426 117 L N 4.361 125.652 121.223 0.114 0.000 2.277 117 L HA 0.896 5.236 4.340 -0.000 0.000 0.284 117 L C 0.290 177.291 176.870 0.217 0.000 1.028 117 L CA 0.433 55.368 54.840 0.159 0.000 0.835 117 L CB 0.620 42.777 42.059 0.164 0.000 1.215 117 L HN 0.782 nan 8.230 nan 0.000 0.425 118 G N 4.144 113.014 108.800 0.118 0.000 2.574 118 G HA2 0.436 4.396 3.960 -0.000 0.000 0.299 118 G HA3 0.436 4.396 3.960 -0.000 0.000 0.299 118 G C -1.147 173.428 174.900 -0.543 0.000 1.298 118 G CA -0.893 44.175 45.100 -0.054 0.000 0.952 118 G HN 0.585 nan 8.290 nan 0.000 0.477 119 M N 2.345 121.441 119.600 -0.841 0.000 2.217 119 M HA 0.127 4.607 4.480 -0.000 0.000 0.352 119 M C 0.682 176.751 176.300 -0.385 0.000 1.376 119 M CA -0.588 54.103 55.300 -1.015 0.000 1.107 119 M CB 0.308 32.532 32.600 -0.626 0.000 1.723 119 M HN 0.650 nan 8.290 nan 0.000 0.461 120 N N 4.246 122.729 118.700 -0.361 0.000 2.407 120 N HA -0.076 4.664 4.740 -0.000 0.000 0.250 120 N C 0.646 176.112 175.510 -0.074 0.000 1.236 120 N CA 0.136 53.071 53.050 -0.193 0.000 0.879 120 N CB 0.754 39.084 38.487 -0.262 0.000 1.088 120 N HN 0.960 nan 8.380 nan 0.000 0.450 121 L N 4.794 125.991 121.223 -0.043 0.000 1.971 121 L HA -0.225 4.115 4.340 -0.000 0.000 0.215 121 L C 2.383 179.273 176.870 0.034 0.000 1.072 121 L CA 2.261 57.094 54.840 -0.013 0.000 0.758 121 L CB -0.571 41.463 42.059 -0.042 0.000 0.889 121 L HN 0.800 nan 8.230 nan 0.000 0.433 122 A N -1.508 121.349 122.820 0.062 0.000 1.986 122 A HA -0.280 4.040 4.320 -0.000 0.000 0.220 122 A C 1.998 179.658 177.584 0.125 0.000 1.171 122 A CA 1.883 53.978 52.037 0.097 0.000 0.640 122 A CB -1.098 17.982 19.000 0.134 0.000 0.811 122 A HN 0.728 nan 8.150 nan 0.000 0.451 123 H N -1.906 117.141 119.070 -0.037 0.000 2.547 123 H HA 0.217 4.773 4.556 -0.000 0.000 0.266 123 H C 1.550 176.862 175.328 -0.027 0.000 0.988 123 H CA 0.361 56.386 56.048 -0.038 0.000 1.147 123 H CB 0.246 29.971 29.762 -0.062 0.000 1.365 123 H HN 0.676 nan 8.280 nan 0.000 0.589 124 G N 0.209 109.067 108.800 0.096 0.000 2.260 124 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.179 124 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.179 124 G C 0.666 175.659 174.900 0.155 0.000 1.002 124 G CA -0.262 44.901 45.100 0.105 0.000 0.677 124 G HN 0.579 nan 8.290 nan 0.000 0.486 125 G N -0.445 108.418 108.800 0.105 0.000 2.539 125 G HA2 0.507 4.467 3.960 -0.000 0.000 0.258 125 G HA3 0.507 4.467 3.960 -0.000 0.000 0.258 125 G C -0.188 174.761 174.900 0.082 0.000 1.202 125 G CA 0.051 45.251 45.100 0.166 0.000 0.851 125 G HN 0.465 nan 8.290 nan 0.000 0.556 126 H N 0.753 119.710 119.070 -0.188 0.000 2.505 126 H HA 0.183 4.739 4.556 -0.000 0.000 0.355 126 H C 1.334 176.485 175.328 -0.296 0.000 1.179 126 H CA -0.710 55.108 56.048 -0.384 0.000 1.343 126 H CB 1.255 30.582 29.762 -0.726 0.000 1.501 126 H HN 0.290 nan 8.280 nan 0.000 0.569 127 L N 1.563 122.125 121.223 -1.102 0.000 2.021 127 L HA -0.233 4.107 4.340 -0.000 0.000 0.215 127 L C 2.504 179.108 176.870 -0.443 0.000 1.074 127 L CA 2.177 56.613 54.840 -0.674 0.000 0.760 127 L CB -0.561 41.107 42.059 -0.651 0.000 0.889 127 L HN 0.744 nan 8.230 nan 0.000 0.433 128 T N -5.028 109.315 114.554 -0.352 0.000 3.227 128 T HA -0.109 4.241 4.350 -0.000 0.000 0.257 128 T C 0.994 175.838 174.700 0.240 0.000 1.162 128 T CA 0.512 62.567 62.100 -0.074 0.000 1.051 128 T CB -0.655 68.386 68.868 0.288 0.000 0.953 128 T HN 0.495 nan 8.240 nan 0.000 0.535 129 H N 0.059 119.184 119.070 0.092 0.000 2.505 129 H HA 0.459 5.015 4.556 -0.000 0.000 0.289 129 H C 1.610 176.972 175.328 0.056 0.000 1.052 129 H CA -0.322 55.803 56.048 0.127 0.000 1.156 129 H CB 0.333 30.129 29.762 0.058 0.000 1.507 129 H HN 0.558 nan 8.280 nan 0.000 0.548 130 G N 0.585 109.448 108.800 0.105 0.000 2.370 130 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.174 130 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.174 130 G C 0.227 175.108 174.900 -0.032 0.000 1.002 130 G CA -0.073 45.054 45.100 0.045 0.000 0.730 130 G HN 0.302 nan 8.290 nan 0.000 0.497 131 S N 1.991 117.640 115.700 -0.086 0.000 2.552 131 S HA 0.367 4.837 4.470 -0.000 0.000 0.289 131 S C 0.047 174.597 174.600 -0.083 0.000 1.304 131 S CA 0.075 58.218 58.200 -0.094 0.000 1.063 131 S CB 1.185 64.305 63.200 -0.134 0.000 0.848 131 S HN 0.206 nan 8.310 nan 0.000 0.499 132 P HA -0.043 nan 4.420 nan 0.000 0.230 132 P C 1.071 178.347 177.300 -0.040 0.000 1.158 132 P CA 0.871 63.947 63.100 -0.039 0.000 0.769 132 P CB -0.255 31.429 31.700 -0.026 0.000 0.807 133 V N -4.171 115.712 119.914 -0.052 0.000 3.647 133 V HA 0.263 4.383 4.120 -0.000 0.000 0.279 133 V C 0.797 176.860 176.094 -0.051 0.000 1.314 133 V CA -0.316 61.959 62.300 -0.041 0.000 1.125 133 V CB -0.980 30.821 31.823 -0.036 0.000 0.907 133 V HN 0.026 nan 8.190 nan 0.000 0.434 134 N N 0.429 119.071 118.700 -0.096 0.000 2.432 134 N HA 0.253 4.993 4.740 -0.000 0.000 0.292 134 N C 0.931 176.354 175.510 -0.145 0.000 1.193 134 N CA -0.101 52.857 53.050 -0.152 0.000 0.878 134 N CB 2.155 40.460 38.487 -0.303 0.000 1.252 134 N HN 0.169 nan 8.380 nan 0.000 0.520 135 F N 1.312 121.269 119.950 0.011 0.000 2.202 135 F HA -0.112 4.415 4.527 -0.000 0.000 0.301 135 F C 2.354 178.153 175.800 -0.003 0.000 1.082 135 F CA 1.244 59.258 58.000 0.022 0.000 1.313 135 F CB -1.087 37.974 39.000 0.101 0.000 1.024 135 F HN 0.434 nan 8.300 nan 0.000 0.495 136 S N 0.559 115.824 115.700 -0.726 0.000 2.359 136 S HA -0.076 4.394 4.470 -0.000 0.000 0.224 136 S C 2.283 176.872 174.600 -0.020 0.000 1.035 136 S CA 1.047 59.004 58.200 -0.405 0.000 1.018 136 S CB -1.661 61.189 63.200 -0.583 0.000 0.876 136 S HN 0.548 nan 8.310 nan 0.000 0.448 137 G N 1.161 109.913 108.800 -0.080 0.000 2.511 137 G HA2 0.044 4.004 3.960 -0.000 0.000 0.217 137 G HA3 0.044 4.004 3.960 -0.000 0.000 0.217 137 G C 1.529 176.427 174.900 -0.003 0.000 1.133 137 G CA 0.267 45.361 45.100 -0.009 0.000 0.792 137 G HN 0.548 nan 8.290 nan 0.000 0.539 138 K N -0.342 120.047 120.400 -0.019 0.000 2.137 138 K HA 0.237 4.557 4.320 -0.000 0.000 0.202 138 K C 2.165 178.720 176.600 -0.075 0.000 1.052 138 K CA 0.361 56.635 56.287 -0.023 0.000 0.961 138 K CB -0.053 32.448 32.500 0.002 0.000 0.741 138 K HN 0.248 nan 8.250 nan 0.000 0.452 139 L N -0.282 120.843 121.223 -0.162 0.000 2.416 139 L HA 0.084 4.424 4.340 -0.000 0.000 0.216 139 L C 0.180 176.629 176.870 -0.700 0.000 1.098 139 L CA 0.206 54.767 54.840 -0.465 0.000 0.840 139 L CB 0.125 41.775 42.059 -0.682 0.000 0.981 139 L HN 0.036 nan 8.230 nan 0.000 0.462 140 Y N -1.514 118.824 120.300 0.063 0.000 2.630 140 Y HA 0.317 4.867 4.550 -0.000 0.000 0.337 140 Y C 0.078 176.016 175.900 0.063 0.000 1.051 140 Y CA -1.647 56.504 58.100 0.085 0.000 1.121 140 Y CB 0.721 39.274 38.460 0.154 0.000 1.299 140 Y HN -0.231 nan 8.280 nan 0.000 0.498 141 N N 1.619 120.462 118.700 0.237 0.000 2.469 141 N HA 0.244 4.984 4.740 -0.000 0.000 0.239 141 N C -1.516 174.067 175.510 0.122 0.000 1.053 141 N CA -0.079 53.050 53.050 0.131 0.000 0.937 141 N CB 0.050 38.600 38.487 0.104 0.000 1.163 141 N HN 0.410 nan 8.380 nan 0.000 0.509 142 I N 3.726 124.349 120.570 0.089 0.000 2.342 142 I HA 0.242 4.412 4.170 -0.000 0.000 0.291 142 I C -0.128 175.980 176.117 -0.016 0.000 1.010 142 I CA -0.790 60.547 61.300 0.061 0.000 1.308 142 I CB 1.046 39.083 38.000 0.063 0.000 1.400 142 I HN 0.160 nan 8.210 nan 0.000 0.488 143 V N 9.006 128.895 119.914 -0.042 0.000 2.357 143 V HA 0.375 4.495 4.120 -0.000 0.000 0.284 143 V C -2.029 174.037 176.094 -0.048 0.000 1.018 143 V CA -1.379 60.841 62.300 -0.133 0.000 0.841 143 V CB 1.838 33.486 31.823 -0.291 0.000 0.991 143 V HN 0.623 nan 8.190 nan 0.000 0.437 144 P HA 0.476 nan 4.420 nan 0.000 0.281 144 P C -1.783 175.514 177.300 -0.005 0.000 1.264 144 P CA -0.390 62.660 63.100 -0.083 0.000 0.824 144 P CB 1.494 33.119 31.700 -0.126 0.000 1.092 145 Y N -2.058 118.177 120.300 -0.109 0.000 2.513 145 Y HA 0.775 5.325 4.550 -0.000 0.000 0.340 145 Y C -0.361 175.435 175.900 -0.173 0.000 1.055 145 Y CA -0.931 57.094 58.100 -0.124 0.000 1.020 145 Y CB 0.885 39.291 38.460 -0.090 0.000 1.301 145 Y HN 0.625 nan 8.280 nan 0.000 0.453 146 G N 2.371 111.176 108.800 0.008 0.000 3.264 146 G HA2 0.666 4.626 3.960 -0.000 0.000 0.168 146 G HA3 0.666 4.626 3.960 -0.000 0.000 0.168 146 G C -0.926 174.096 174.900 0.202 0.000 1.145 146 G CA -0.679 44.405 45.100 -0.027 0.000 0.855 146 G HN 1.103 nan 8.290 nan 0.000 0.629 147 I N -2.043 118.766 120.570 0.399 0.000 3.067 147 I HA 0.550 4.720 4.170 -0.000 0.000 0.312 147 I C -0.912 175.283 176.117 0.130 0.000 1.073 147 I CA -0.994 60.397 61.300 0.151 0.000 1.016 147 I CB 2.042 40.082 38.000 0.066 0.000 1.227 147 I HN 0.203 nan 8.210 nan 0.000 0.456 148 D N 1.685 122.140 120.400 0.091 0.000 2.312 148 D HA 0.131 4.771 4.640 -0.000 0.000 0.244 148 D C 1.012 177.352 176.300 0.065 0.000 1.328 148 D CA 0.334 54.384 54.000 0.084 0.000 0.965 148 D CB 0.775 41.639 40.800 0.105 0.000 1.140 148 D HN 0.737 nan 8.370 nan 0.000 0.523 149 A N -0.531 122.323 122.820 0.057 0.000 2.123 149 A HA -0.063 4.257 4.320 -0.000 0.000 0.214 149 A C 1.782 179.395 177.584 0.047 0.000 1.152 149 A CA 1.391 53.450 52.037 0.037 0.000 0.728 149 A CB -0.473 18.546 19.000 0.032 0.000 0.814 149 A HN 0.593 nan 8.150 nan 0.000 0.464 150 T N -4.552 110.055 114.554 0.089 0.000 3.081 150 T HA 0.367 4.717 4.350 -0.000 0.000 0.255 150 T C 1.368 176.190 174.700 0.203 0.000 1.113 150 T CA 1.118 63.308 62.100 0.149 0.000 1.082 150 T CB -0.018 68.957 68.868 0.179 0.000 0.939 150 T HN 1.584 nan 8.240 nan 0.000 0.506 151 G N 0.913 109.771 108.800 0.097 0.000 2.132 151 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.228 151 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.228 151 G C -0.294 174.473 174.900 -0.222 0.000 1.000 151 G CA -0.013 45.045 45.100 -0.070 0.000 0.693 151 G HN 0.797 nan 8.290 nan 0.000 0.515 152 H N -1.171 117.969 119.070 0.117 0.000 2.797 152 H HA 0.660 5.216 4.556 -0.000 0.000 0.372 152 H C 0.633 175.976 175.328 0.025 0.000 1.168 152 H CA -0.944 55.209 56.048 0.174 0.000 1.163 152 H CB 1.076 30.918 29.762 0.133 0.000 1.778 152 H HN 0.183 nan 8.280 nan 0.000 0.551 153 I N 1.322 121.898 120.570 0.010 0.000 2.598 153 I HA -0.034 4.136 4.170 -0.000 0.000 0.284 153 I C 0.074 175.984 176.117 -0.345 0.000 1.140 153 I CA 0.327 61.449 61.300 -0.297 0.000 1.420 153 I CB 0.214 37.840 38.000 -0.624 0.000 1.387 153 I HN 0.557 nan 8.210 nan 0.000 0.553 154 D N 6.154 126.398 120.400 -0.259 0.000 2.456 154 D HA 0.127 4.767 4.640 -0.000 0.000 0.219 154 D C 0.535 176.697 176.300 -0.229 0.000 1.126 154 D CA -0.222 53.691 54.000 -0.145 0.000 0.890 154 D CB 0.393 41.168 40.800 -0.042 0.000 1.025 154 D HN 0.310 nan 8.370 nan 0.000 0.511 155 Y N 2.358 122.625 120.300 -0.056 0.000 2.483 155 Y HA -0.072 4.478 4.550 -0.000 0.000 0.291 155 Y C 2.299 178.161 175.900 -0.062 0.000 1.143 155 Y CA 0.897 58.949 58.100 -0.081 0.000 1.289 155 Y CB -0.208 38.209 38.460 -0.072 0.000 0.983 155 Y HN 0.537 nan 8.280 nan 0.000 0.556 156 A N -0.108 122.757 122.820 0.076 0.000 1.898 156 A HA -0.179 4.141 4.320 -0.000 0.000 0.214 156 A C 1.824 179.412 177.584 0.008 0.000 1.183 156 A CA 1.751 53.813 52.037 0.041 0.000 0.622 156 A CB -0.694 18.328 19.000 0.035 0.000 0.824 156 A HN 0.423 nan 8.150 nan 0.000 0.444 157 D N -0.781 119.611 120.400 -0.013 0.000 2.149 157 D HA -0.117 4.523 4.640 -0.000 0.000 0.201 157 D C 1.753 178.031 176.300 -0.037 0.000 0.972 157 D CA 0.969 54.959 54.000 -0.017 0.000 0.835 157 D CB -0.114 40.677 40.800 -0.015 0.000 0.966 157 D HN 0.216 nan 8.370 nan 0.000 0.476 158 L N 0.972 122.134 121.223 -0.100 0.000 2.046 158 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 158 L C 2.077 178.906 176.870 -0.069 0.000 1.077 158 L CA 1.868 56.609 54.840 -0.165 0.000 0.747 158 L CB -0.670 41.196 42.059 -0.321 0.000 0.896 158 L HN 0.114 nan 8.230 nan 0.000 0.432 159 E N -0.585 119.600 120.200 -0.025 0.000 2.110 159 E HA -0.259 4.091 4.350 -0.000 0.000 0.193 159 E C 2.241 178.844 176.600 0.006 0.000 0.988 159 E CA 1.627 58.029 56.400 0.002 0.000 0.804 159 E CB 0.003 29.713 29.700 0.017 0.000 0.745 159 E HN 0.548 nan 8.360 nan 0.000 0.458 160 K N 0.860 121.263 120.400 0.005 0.000 2.002 160 K HA -0.217 4.102 4.320 -0.000 0.000 0.209 160 K C 1.917 178.528 176.600 0.019 0.000 1.048 160 K CA 1.815 58.105 56.287 0.006 0.000 0.930 160 K CB -1.046 31.457 32.500 0.007 0.000 0.714 160 K HN 0.268 nan 8.250 nan 0.000 0.438 161 Q N -0.623 119.208 119.800 0.052 0.000 2.096 161 Q HA -0.072 4.268 4.340 -0.000 0.000 0.204 161 Q C 2.603 178.693 176.000 0.149 0.000 0.982 161 Q CA 1.369 57.261 55.803 0.148 0.000 0.850 161 Q CB -0.359 28.478 28.738 0.165 0.000 0.901 161 Q HN 0.658 nan 8.270 nan 0.000 0.422 162 A N 1.482 124.348 122.820 0.077 0.000 1.883 162 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 162 A C 1.927 179.541 177.584 0.049 0.000 1.186 162 A CA 1.643 53.721 52.037 0.067 0.000 0.624 162 A CB -0.330 18.691 19.000 0.034 0.000 0.822 162 A HN 0.181 nan 8.150 nan 0.000 0.444 163 K N -0.883 119.529 120.400 0.020 0.000 2.148 163 K HA -0.108 4.212 4.320 -0.000 0.000 0.204 163 K C 2.075 178.658 176.600 -0.028 0.000 1.050 163 K CA 1.367 57.654 56.287 -0.001 0.000 0.942 163 K CB -0.033 32.463 32.500 -0.007 0.000 0.724 163 K HN 0.686 nan 8.250 nan 0.000 0.446 164 E N -0.203 119.959 120.200 -0.064 0.000 2.086 164 E HA -0.107 4.243 4.350 -0.000 0.000 0.190 164 E C 1.545 177.991 176.600 -0.257 0.000 0.975 164 E CA 0.709 56.998 56.400 -0.185 0.000 0.813 164 E CB 0.295 29.823 29.700 -0.288 0.000 0.768 164 E HN 0.375 nan 8.360 nan 0.000 0.457 165 H N -0.174 118.908 119.070 0.020 0.000 2.563 165 H HA 0.114 4.670 4.556 -0.000 0.000 0.264 165 H C 0.413 175.757 175.328 0.026 0.000 0.957 165 H CA 0.387 56.451 56.048 0.027 0.000 1.173 165 H CB 0.588 30.372 29.762 0.037 0.000 1.420 165 H HN -0.032 nan 8.280 nan 0.000 0.551 166 K N 1.547 122.010 120.400 0.105 0.000 3.451 166 K HA -0.102 4.218 4.320 -0.000 0.000 0.273 166 K C -2.592 174.054 176.600 0.077 0.000 0.944 166 K CA -0.031 56.295 56.287 0.065 0.000 0.734 166 K CB -0.936 31.586 32.500 0.037 0.000 1.437 166 K HN 0.401 nan 8.250 nan 0.000 0.454 167 P HA 0.019 nan 4.420 nan 0.000 0.269 167 P C 0.510 177.842 177.300 0.053 0.000 1.215 167 P CA -0.079 63.071 63.100 0.084 0.000 0.780 167 P CB 0.742 32.498 31.700 0.092 0.000 0.898 168 K N 0.958 121.391 120.400 0.055 0.000 2.365 168 K HA 0.130 4.450 4.320 -0.000 0.000 0.197 168 K C 0.822 177.460 176.600 0.065 0.000 1.042 168 K CA 0.515 56.824 56.287 0.037 0.000 0.987 168 K CB 0.141 32.677 32.500 0.060 0.000 0.779 168 K HN 0.478 nan 8.250 nan 0.000 0.484 169 M N 1.043 120.689 119.600 0.076 0.000 2.421 169 M HA 0.356 4.836 4.480 -0.000 0.000 0.287 169 M C -1.988 174.370 176.300 0.098 0.000 1.183 169 M CA -0.620 54.741 55.300 0.102 0.000 0.916 169 M CB 1.879 34.505 32.600 0.044 0.000 1.701 169 M HN -0.160 nan 8.290 nan 0.000 0.470 170 I N 5.240 125.886 120.570 0.127 0.000 2.406 170 I HA 0.434 4.604 4.170 -0.000 0.000 0.290 170 I C -0.844 175.346 176.117 0.123 0.000 0.999 170 I CA -0.709 60.668 61.300 0.128 0.000 1.124 170 I CB 1.928 39.997 38.000 0.115 0.000 1.289 170 I HN 0.646 nan 8.210 nan 0.000 0.441 171 I N 5.267 125.892 120.570 0.093 0.000 2.331 171 I HA 0.463 4.633 4.170 -0.000 0.000 0.292 171 I C 0.622 176.729 176.117 -0.016 0.000 0.998 171 I CA -0.303 60.943 61.300 -0.089 0.000 1.267 171 I CB 1.524 39.372 38.000 -0.254 0.000 1.386 171 I HN 0.601 nan 8.210 nan 0.000 0.476 172 G N 3.466 112.215 108.800 -0.084 0.000 2.461 172 G HA2 0.772 4.732 3.960 -0.000 0.000 0.323 172 G HA3 0.772 4.732 3.960 -0.000 0.000 0.323 172 G C -0.423 174.487 174.900 0.017 0.000 1.229 172 G CA -0.617 44.591 45.100 0.180 0.000 0.941 172 G HN 1.000 nan 8.290 nan 0.000 0.477 173 G N -0.211 108.729 108.800 0.234 0.000 2.347 173 G HA2 0.582 4.542 3.960 -0.000 0.000 0.321 173 G HA3 0.582 4.542 3.960 -0.000 0.000 0.321 173 G C -1.024 174.010 174.900 0.223 0.000 1.412 173 G CA -0.156 44.976 45.100 0.053 0.000 0.990 173 G HN 1.894 nan 8.290 nan 0.000 0.637 174 F N -2.763 117.367 119.950 0.300 0.000 2.807 174 F HA 0.841 5.368 4.527 -0.000 0.000 0.316 174 F C 0.434 176.300 175.800 0.110 0.000 1.162 174 F CA -0.412 57.727 58.000 0.232 0.000 0.910 174 F CB 0.981 40.097 39.000 0.195 0.000 1.314 174 F HN 0.461 nan 8.300 nan 0.000 0.454 175 S N -0.393 115.459 115.700 0.254 0.000 2.554 175 S HA 0.574 5.044 4.470 -0.000 0.000 0.227 175 S C 0.557 175.050 174.600 -0.178 0.000 1.050 175 S CA 0.496 58.666 58.200 -0.050 0.000 0.927 175 S CB 0.829 64.100 63.200 0.118 0.000 0.859 175 S HN 1.002 nan 8.310 nan 0.000 0.494 176 A N 0.929 123.789 122.820 0.066 0.000 3.292 176 A HA 0.545 4.865 4.320 -0.000 0.000 0.231 176 A C -0.963 176.614 177.584 -0.012 0.000 0.952 176 A CA -0.263 51.755 52.037 -0.031 0.000 1.044 176 A CB 0.089 19.063 19.000 -0.043 0.000 1.236 176 A HN 0.321 nan 8.150 nan 0.000 0.525 177 Y N 0.947 121.078 120.300 -0.281 0.000 2.376 177 Y HA 0.475 5.025 4.550 -0.000 0.000 0.340 177 Y C 0.983 176.516 175.900 -0.612 0.000 0.965 177 Y CA -0.637 57.142 58.100 -0.535 0.000 1.078 177 Y CB 2.157 40.128 38.460 -0.815 0.000 1.193 177 Y HN 0.268 nan 8.280 nan 0.000 0.452 178 S N 2.123 117.300 115.700 -0.872 0.000 2.556 178 S HA 0.347 4.817 4.470 -0.000 0.000 0.216 178 S C 0.759 174.940 174.600 -0.698 0.000 0.970 178 S CA 0.138 57.965 58.200 -0.623 0.000 0.912 178 S CB -0.210 62.779 63.200 -0.351 0.000 0.790 178 S HN 0.829 nan 8.310 nan 0.000 0.504 179 G N 0.761 108.727 108.800 -1.390 0.000 2.532 179 G HA2 0.560 4.520 3.960 -0.000 0.000 0.291 179 G HA3 0.560 4.520 3.960 -0.000 0.000 0.291 179 G C -0.989 173.807 174.900 -0.174 0.000 1.349 179 G CA -0.659 44.002 45.100 -0.732 0.000 1.038 179 G HN 0.259 nan 8.290 nan 0.000 0.518 180 V N 0.195 120.102 119.914 -0.011 0.000 2.370 180 V HA 0.317 4.437 4.120 -0.000 0.000 0.279 180 V C 0.088 176.164 176.094 -0.030 0.000 1.029 180 V CA -0.558 61.683 62.300 -0.098 0.000 0.870 180 V CB 1.297 32.943 31.823 -0.295 0.000 0.984 180 V HN 0.424 nan 8.190 nan 0.000 0.451 181 V N 3.666 123.485 119.914 -0.159 0.000 2.546 181 V HA 0.235 4.355 4.120 -0.000 0.000 0.284 181 V C 0.392 176.071 176.094 -0.692 0.000 1.050 181 V CA -0.454 61.642 62.300 -0.339 0.000 0.981 181 V CB 1.649 33.102 31.823 -0.616 0.000 0.990 181 V HN 0.861 nan 8.190 nan 0.000 0.474 182 D N 3.635 123.837 120.400 -0.331 0.000 2.483 182 D HA 0.101 4.741 4.640 -0.000 0.000 0.220 182 D C 0.784 176.942 176.300 -0.236 0.000 1.173 182 D CA -0.161 53.585 54.000 -0.423 0.000 0.964 182 D CB 0.270 40.700 40.800 -0.616 0.000 1.046 182 D HN 0.589 nan 8.370 nan 0.000 0.517 183 W N 2.840 124.109 121.300 -0.053 0.000 2.335 183 W HA -0.244 4.416 4.660 -0.000 0.000 0.311 183 W C 2.425 178.821 176.519 -0.205 0.000 1.213 183 W CA 0.583 57.898 57.345 -0.050 0.000 1.274 183 W CB -0.280 29.201 29.460 0.035 0.000 1.148 183 W HN 0.463 nan 8.180 nan 0.000 0.498 184 A N 0.717 123.353 122.820 -0.306 0.000 1.940 184 A HA -0.256 4.064 4.320 -0.000 0.000 0.219 184 A C 1.888 179.401 177.584 -0.118 0.000 1.176 184 A CA 2.187 54.012 52.037 -0.353 0.000 0.631 184 A CB -0.744 17.981 19.000 -0.458 0.000 0.814 184 A HN 0.179 nan 8.150 nan 0.000 0.446 185 K N -0.198 120.106 120.400 -0.160 0.000 2.057 185 K HA 0.009 4.329 4.320 -0.000 0.000 0.206 185 K C 1.897 178.490 176.600 -0.011 0.000 1.050 185 K CA 1.833 58.032 56.287 -0.148 0.000 0.935 185 K CB -0.441 31.828 32.500 -0.384 0.000 0.715 185 K HN 0.508 nan 8.250 nan 0.000 0.439 186 M N -0.142 119.502 119.600 0.074 0.000 2.175 186 M HA -0.106 4.374 4.480 -0.000 0.000 0.264 186 M C 2.126 178.502 176.300 0.127 0.000 1.063 186 M CA 1.404 56.794 55.300 0.150 0.000 1.119 186 M CB -0.172 32.576 32.600 0.246 0.000 1.377 186 M HN 0.018 nan 8.290 nan 0.000 0.415 187 R N 1.052 121.625 120.500 0.121 0.000 2.096 187 R HA -0.100 4.240 4.340 -0.000 0.000 0.235 187 R C 1.617 177.966 176.300 0.082 0.000 1.127 187 R CA 1.738 57.905 56.100 0.111 0.000 0.968 187 R CB -0.514 29.854 30.300 0.113 0.000 0.861 187 R HN 0.405 nan 8.270 nan 0.000 0.440 188 E N -0.143 120.088 120.200 0.053 0.000 2.038 188 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 188 E C 2.013 178.637 176.600 0.041 0.000 1.000 188 E CA 1.808 58.230 56.400 0.035 0.000 0.803 188 E CB -0.217 29.488 29.700 0.009 0.000 0.750 188 E HN 0.352 nan 8.360 nan 0.000 0.448 189 I N 0.967 121.564 120.570 0.046 0.000 2.208 189 I HA -0.306 3.864 4.170 -0.000 0.000 0.245 189 I C 2.574 178.721 176.117 0.051 0.000 1.097 189 I CA 1.043 62.369 61.300 0.044 0.000 1.363 189 I CB -0.410 37.618 38.000 0.046 0.000 1.051 189 I HN 0.109 nan 8.210 nan 0.000 0.413 190 A N 0.595 123.461 122.820 0.077 0.000 1.877 190 A HA -0.240 4.080 4.320 -0.000 0.000 0.216 190 A C 1.962 179.588 177.584 0.070 0.000 1.186 190 A CA 2.105 54.197 52.037 0.091 0.000 0.620 190 A CB -0.617 18.482 19.000 0.165 0.000 0.822 190 A HN 0.336 nan 8.150 nan 0.000 0.443 191 D N 0.081 120.528 120.400 0.079 0.000 2.144 191 D HA -0.137 4.503 4.640 -0.000 0.000 0.199 191 D C 2.434 178.748 176.300 0.024 0.000 0.984 191 D CA 1.755 55.788 54.000 0.056 0.000 0.834 191 D CB -0.400 40.433 40.800 0.056 0.000 0.955 191 D HN 0.581 nan 8.370 nan 0.000 0.465 192 S N 0.533 116.247 115.700 0.023 0.000 2.419 192 S HA -0.165 4.305 4.470 -0.000 0.000 0.235 192 S C 1.874 176.476 174.600 0.003 0.000 1.019 192 S CA 1.024 59.231 58.200 0.011 0.000 0.982 192 S CB -0.615 62.593 63.200 0.012 0.000 0.789 192 S HN 0.566 nan 8.310 nan 0.000 0.490 193 I N -3.784 116.787 120.570 0.002 0.000 4.081 193 I HA 0.602 4.772 4.170 -0.000 0.000 0.333 193 I C 1.128 177.225 176.117 -0.034 0.000 1.413 193 I CA -0.098 61.196 61.300 -0.010 0.000 1.110 193 I CB -0.117 37.884 38.000 0.002 0.000 1.082 193 I HN 0.281 nan 8.210 nan 0.000 0.402 194 G N 2.036 110.810 108.800 -0.043 0.000 2.198 194 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.260 194 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.260 194 G C 0.294 175.081 174.900 -0.187 0.000 1.025 194 G CA 0.244 45.284 45.100 -0.100 0.000 0.769 194 G HN 0.941 nan 8.290 nan 0.000 0.507 195 A N -0.940 121.804 122.820 -0.127 0.000 2.264 195 A HA 0.811 5.131 4.320 -0.000 0.000 0.304 195 A C -0.122 177.338 177.584 -0.206 0.000 1.100 195 A CA -0.676 51.266 52.037 -0.158 0.000 0.839 195 A CB 0.729 19.717 19.000 -0.019 0.000 1.121 195 A HN 0.545 nan 8.150 nan 0.000 0.496 196 Y N -0.351 119.866 120.300 -0.138 0.000 2.299 196 Y HA 0.420 4.970 4.550 -0.000 0.000 0.326 196 Y C 0.146 176.099 175.900 0.089 0.000 1.164 196 Y CA -0.172 57.775 58.100 -0.255 0.000 1.234 196 Y CB 1.266 39.575 38.460 -0.253 0.000 1.219 196 Y HN 0.492 nan 8.280 nan 0.000 0.497 197 L N 5.848 127.436 121.223 0.609 0.000 2.276 197 L HA 0.438 4.778 4.340 -0.000 0.000 0.286 197 L C -1.528 175.563 176.870 0.369 0.000 1.024 197 L CA -0.604 54.475 54.840 0.398 0.000 0.826 197 L CB -0.017 42.227 42.059 0.308 0.000 1.211 197 L HN 0.424 nan 8.230 nan 0.000 0.422 198 F N 6.583 126.570 119.950 0.063 0.000 2.411 198 F HA 0.656 5.183 4.527 0.000 0.000 0.352 198 F C -1.125 174.628 175.800 -0.078 0.000 1.123 198 F CA -1.105 56.868 58.000 -0.044 0.000 1.044 198 F CB 1.272 40.184 39.000 -0.147 0.000 1.135 198 F HN 0.166 nan 8.300 nan 0.000 0.461 199 V N 6.000 125.778 119.914 -0.227 0.000 2.384 199 V HA 0.242 4.362 4.120 -0.000 0.000 0.287 199 V C -0.793 174.953 176.094 -0.580 0.000 1.020 199 V CA -0.731 61.260 62.300 -0.515 0.000 0.850 199 V CB 1.504 32.982 31.823 -0.575 0.000 0.987 199 V HN 0.660 nan 8.190 nan 0.000 0.436 200 D N 5.773 125.779 120.400 -0.658 0.000 2.443 200 D HA 0.292 4.932 4.640 -0.000 0.000 0.221 200 D C 0.583 176.711 176.300 -0.288 0.000 1.097 200 D CA -0.487 53.288 54.000 -0.375 0.000 0.865 200 D CB 1.317 41.986 40.800 -0.219 0.000 1.034 200 D HN 0.609 nan 8.370 nan 0.000 0.511 201 M N 1.993 121.426 119.600 -0.278 0.000 2.549 201 M HA 0.417 4.897 4.480 -0.000 0.000 0.273 201 M C 1.269 177.435 176.300 -0.224 0.000 1.213 201 M CA -0.499 54.641 55.300 -0.267 0.000 0.976 201 M CB 0.855 33.297 32.600 -0.264 0.000 1.457 201 M HN 0.139 nan 8.290 nan 0.000 0.485 202 A N 1.044 123.745 122.820 -0.198 0.000 1.909 202 A HA -0.268 4.052 4.320 -0.000 0.000 0.221 202 A C 1.783 179.228 177.584 -0.231 0.000 1.223 202 A CA 2.580 54.495 52.037 -0.204 0.000 0.658 202 A CB -1.302 17.580 19.000 -0.197 0.000 0.831 202 A HN 0.761 nan 8.150 nan 0.000 0.462 203 H N -1.173 117.759 119.070 -0.230 0.000 2.389 203 H HA -0.002 4.554 4.556 -0.000 0.000 0.299 203 H C 1.885 177.052 175.328 -0.268 0.000 1.081 203 H CA 1.957 57.911 56.048 -0.157 0.000 1.345 203 H CB 0.058 29.863 29.762 0.071 0.000 1.393 203 H HN 0.436 nan 8.280 nan 0.000 0.520 204 V N -2.537 117.293 119.914 -0.141 0.000 3.596 204 V HA 0.396 4.516 4.120 -0.000 0.000 0.289 204 V C 2.080 178.122 176.094 -0.086 0.000 1.336 204 V CA 0.539 62.715 62.300 -0.206 0.000 1.137 204 V CB -0.216 31.336 31.823 -0.451 0.000 0.966 204 V HN 0.379 nan 8.190 nan 0.000 0.428 205 A N 2.142 124.926 122.820 -0.060 0.000 1.903 205 A HA -0.091 4.229 4.320 -0.000 0.000 0.219 205 A C 2.349 180.093 177.584 0.267 0.000 1.191 205 A CA 2.464 54.556 52.037 0.091 0.000 0.638 205 A CB -1.418 17.593 19.000 0.019 0.000 0.823 205 A HN 0.746 nan 8.150 nan 0.000 0.451 206 G N -0.357 108.545 108.800 0.170 0.000 2.418 206 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.217 206 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.217 206 G C 1.555 176.567 174.900 0.187 0.000 1.158 206 G CA 1.069 46.336 45.100 0.278 0.000 0.771 206 G HN 0.460 nan 8.290 nan 0.000 0.545 207 L N 0.197 121.461 121.223 0.069 0.000 2.046 207 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 207 L C 2.987 179.991 176.870 0.223 0.000 1.077 207 L CA 0.469 55.367 54.840 0.097 0.000 0.747 207 L CB -0.645 41.474 42.059 0.101 0.000 0.896 207 L HN 0.084 nan 8.230 nan 0.000 0.432 208 V N 0.358 120.442 119.914 0.285 0.000 2.343 208 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 208 V C 2.812 179.092 176.094 0.309 0.000 1.051 208 V CA 1.819 64.337 62.300 0.363 0.000 1.036 208 V CB -0.890 31.178 31.823 0.408 0.000 0.654 208 V HN 0.483 nan 8.190 nan 0.000 0.451 209 A N -0.119 122.885 122.820 0.305 0.000 1.978 209 A HA -0.088 4.232 4.320 -0.000 0.000 0.220 209 A C 2.233 179.906 177.584 0.148 0.000 1.170 209 A CA 2.017 54.113 52.037 0.098 0.000 0.636 209 A CB -0.552 18.480 19.000 0.055 0.000 0.810 209 A HN 0.610 nan 8.150 nan 0.000 0.448 210 A N -2.246 120.699 122.820 0.209 0.000 2.218 210 A HA 0.424 4.744 4.320 -0.000 0.000 0.209 210 A C 1.801 179.457 177.584 0.120 0.000 1.168 210 A CA 1.166 53.299 52.037 0.161 0.000 0.804 210 A CB -0.734 18.316 19.000 0.083 0.000 0.834 210 A HN 1.872 nan 8.150 nan 0.000 0.482 211 G N -1.813 107.073 108.800 0.144 0.000 2.157 211 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.248 211 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.248 211 G C 0.781 175.761 174.900 0.133 0.000 0.979 211 G CA 0.447 45.628 45.100 0.135 0.000 0.650 211 G HN 0.688 nan 8.290 nan 0.000 0.529 212 V N -0.978 119.024 119.914 0.146 0.000 3.306 212 V HA 0.332 4.452 4.120 -0.000 0.000 0.264 212 V C 0.619 176.850 176.094 0.230 0.000 1.149 212 V CA 1.492 63.877 62.300 0.140 0.000 1.143 212 V CB -0.276 31.606 31.823 0.097 0.000 0.767 212 V HN 0.512 nan 8.190 nan 0.000 0.476 213 Y N -0.190 120.192 120.300 0.138 0.000 2.470 213 Y HA 0.520 5.070 4.550 -0.000 0.000 0.341 213 Y C -2.770 173.277 175.900 0.244 0.000 1.021 213 Y CA -3.009 55.202 58.100 0.185 0.000 1.025 213 Y CB 2.105 40.701 38.460 0.227 0.000 1.266 213 Y HN -0.027 nan 8.280 nan 0.000 0.448 214 P HA -0.062 nan 4.420 nan 0.000 0.260 214 P C -0.905 176.791 177.300 0.660 0.000 1.172 214 P CA 0.484 63.770 63.100 0.310 0.000 0.760 214 P CB 0.374 32.119 31.700 0.075 0.000 0.773 215 N N 5.216 124.201 118.700 0.476 0.000 2.430 215 N HA 0.085 4.825 4.740 -0.000 0.000 0.265 215 N C -1.498 174.180 175.510 0.280 0.000 1.100 215 N CA -2.180 51.088 53.050 0.364 0.000 0.961 215 N CB 0.570 39.212 38.487 0.260 0.000 1.075 215 N HN 0.242 nan 8.380 nan 0.000 0.478 216 P HA -0.022 nan 4.420 nan 0.000 0.235 216 P C 1.297 178.473 177.300 -0.205 0.000 1.177 216 P CA 0.230 63.010 63.100 -0.535 0.000 0.785 216 P CB 0.574 31.372 31.700 -1.504 0.000 0.885 217 V N 3.042 122.878 119.914 -0.129 0.000 2.278 217 V HA -0.154 3.966 4.120 -0.000 0.000 0.251 217 V C -0.032 176.003 176.094 -0.098 0.000 1.062 217 V CA 2.741 64.989 62.300 -0.086 0.000 1.038 217 V CB -2.582 29.234 31.823 -0.011 0.000 0.646 217 V HN 0.266 nan 8.190 nan 0.000 0.447 218 P HA -0.064 nan 4.420 nan 0.000 0.245 218 P C 0.791 177.826 177.300 -0.441 0.000 1.212 218 P CA 1.323 64.242 63.100 -0.301 0.000 0.774 218 P CB -0.005 31.483 31.700 -0.354 0.000 0.999 219 H N -1.060 118.006 119.070 -0.007 0.000 2.788 219 H HA 0.376 4.932 4.556 -0.000 0.000 0.262 219 H C 1.007 176.293 175.328 -0.070 0.000 0.968 219 H CA -0.017 56.029 56.048 -0.003 0.000 1.218 219 H CB 0.338 30.161 29.762 0.101 0.000 1.443 219 H HN 0.072 nan 8.280 nan 0.000 0.478 220 A N 0.615 123.438 122.820 0.005 0.000 2.279 220 A HA 0.299 4.619 4.320 -0.000 0.000 0.303 220 A C 0.328 177.878 177.584 -0.057 0.000 1.108 220 A CA -0.362 51.665 52.037 -0.017 0.000 0.830 220 A CB 0.605 19.592 19.000 -0.022 0.000 1.106 220 A HN 0.298 nan 8.150 nan 0.000 0.493 221 H N -0.431 118.703 119.070 0.108 0.000 2.403 221 H HA 0.237 4.793 4.556 -0.000 0.000 0.298 221 H C -0.098 175.268 175.328 0.063 0.000 1.059 221 H CA 1.674 57.786 56.048 0.106 0.000 1.363 221 H CB 0.172 30.042 29.762 0.180 0.000 1.410 221 H HN 0.272 nan 8.280 nan 0.000 0.528 222 V N 0.475 120.498 119.914 0.181 0.000 2.971 222 V HA 0.403 4.523 4.120 -0.000 0.000 0.309 222 V C -0.865 175.329 176.094 0.166 0.000 1.130 222 V CA -0.973 61.389 62.300 0.104 0.000 0.964 222 V CB 2.869 34.670 31.823 -0.036 0.000 1.029 222 V HN -0.139 nan 8.190 nan 0.000 0.427 223 V N 2.202 122.176 119.914 0.100 0.000 2.789 223 V HA 0.842 4.962 4.120 -0.000 0.000 0.311 223 V C -0.055 176.085 176.094 0.077 0.000 1.073 223 V CA -0.337 61.996 62.300 0.054 0.000 0.921 223 V CB 2.502 34.253 31.823 -0.120 0.000 1.009 223 V HN 1.111 nan 8.190 nan 0.000 0.426 224 T N -0.428 114.196 114.554 0.117 0.000 2.916 224 T HA 0.876 5.226 4.350 -0.000 0.000 0.292 224 T C -0.551 174.119 174.700 -0.049 0.000 1.064 224 T CA -0.748 61.405 62.100 0.089 0.000 1.011 224 T CB 2.200 71.231 68.868 0.271 0.000 1.152 224 T HN 0.883 nan 8.240 nan 0.000 0.510 225 T N 0.370 114.883 114.554 -0.068 0.000 2.786 225 T HA 0.631 4.981 4.350 -0.000 0.000 0.316 225 T C -0.795 173.853 174.700 -0.086 0.000 1.503 225 T CA -0.234 61.789 62.100 -0.129 0.000 1.019 225 T CB 1.387 70.117 68.868 -0.231 0.000 1.415 225 T HN 1.253 nan 8.240 nan 0.000 0.496 226 T N -0.344 114.128 114.554 -0.137 0.000 2.936 226 T HA 0.552 4.902 4.350 -0.000 0.000 0.282 226 T C 1.185 175.818 174.700 -0.112 0.000 1.003 226 T CA 0.113 62.139 62.100 -0.123 0.000 1.005 226 T CB 1.157 69.808 68.868 -0.362 0.000 1.097 226 T HN 0.781 nan 8.240 nan 0.000 0.532 227 T N -2.367 112.193 114.554 0.010 0.000 3.054 227 T HA 0.099 4.449 4.350 -0.000 0.000 0.255 227 T C 1.106 175.845 174.700 0.065 0.000 1.035 227 T CA -0.067 62.059 62.100 0.043 0.000 0.941 227 T CB -0.435 68.480 68.868 0.078 0.000 1.026 227 T HN 0.919 nan 8.240 nan 0.000 0.533 228 H N -0.189 118.870 119.070 -0.019 0.000 2.652 228 H HA 0.487 5.043 4.556 -0.000 0.000 0.274 228 H C 0.750 176.049 175.328 -0.049 0.000 1.021 228 H CA -0.539 55.497 56.048 -0.020 0.000 1.187 228 H CB 0.335 30.084 29.762 -0.022 0.000 1.505 228 H HN 0.257 nan 8.280 nan 0.000 0.530 229 K N 1.071 121.284 120.400 -0.311 0.000 3.860 229 K HA 0.061 4.381 4.320 -0.000 0.000 0.165 229 K C 1.904 178.417 176.600 -0.145 0.000 1.146 229 K CA 0.786 56.905 56.287 -0.280 0.000 1.673 229 K CB -0.221 31.987 32.500 -0.486 0.000 2.306 229 K HN 0.149 nan 8.250 nan 0.000 0.504 230 T N 0.340 114.774 114.554 -0.200 0.000 3.007 230 T HA -0.067 4.283 4.350 -0.000 0.000 0.270 230 T C 1.705 176.478 174.700 0.122 0.000 1.107 230 T CA 0.666 62.703 62.100 -0.105 0.000 1.118 230 T CB -0.047 68.656 68.868 -0.275 0.000 0.889 230 T HN 0.049 nan 8.240 nan 0.000 0.506 231 L N 1.074 122.370 121.223 0.121 0.000 2.478 231 L HA 0.500 4.840 4.340 -0.000 0.000 0.223 231 L C 1.867 178.888 176.870 0.252 0.000 1.140 231 L CA 0.510 55.503 54.840 0.255 0.000 0.842 231 L CB -1.243 40.904 42.059 0.147 0.000 0.953 231 L HN 0.559 nan 8.230 nan 0.000 0.452 232 A N -1.437 121.494 122.820 0.186 0.000 2.798 232 A HA -0.132 4.188 4.320 -0.000 0.000 0.282 232 A C 1.121 178.778 177.584 0.121 0.000 1.464 232 A CA 0.857 52.992 52.037 0.162 0.000 0.844 232 A CB -2.405 16.731 19.000 0.225 0.000 1.006 232 A HN 0.562 nan 8.150 nan 0.000 0.577 233 G N -0.894 107.967 108.800 0.102 0.000 2.857 233 G HA2 0.737 4.697 3.960 -0.000 0.000 0.217 233 G HA3 0.737 4.697 3.960 -0.000 0.000 0.217 233 G C -2.352 172.607 174.900 0.097 0.000 1.357 233 G CA -0.662 44.486 45.100 0.079 0.000 1.033 233 G HN 0.413 nan 8.290 nan 0.000 0.571 234 P HA 0.224 nan 4.420 nan 0.000 0.276 234 P C -0.732 176.605 177.300 0.063 0.000 1.252 234 P CA -0.398 62.727 63.100 0.041 0.000 0.802 234 P CB 1.008 32.707 31.700 -0.001 0.000 1.035 235 R N 0.659 121.124 120.500 -0.058 0.000 2.370 235 R HA 0.572 4.912 4.340 -0.000 0.000 0.309 235 R C 0.771 177.032 176.300 -0.064 0.000 1.059 235 R CA 0.146 56.083 56.100 -0.270 0.000 0.981 235 R CB -0.167 29.853 30.300 -0.467 0.000 0.972 235 R HN 0.776 nan 8.270 nan 0.000 0.437 236 G N 0.761 109.643 108.800 0.137 0.000 2.356 236 G HA2 0.441 4.401 3.960 -0.000 0.000 0.294 236 G HA3 0.441 4.401 3.960 -0.000 0.000 0.294 236 G C -1.263 173.728 174.900 0.152 0.000 1.423 236 G CA -0.491 44.676 45.100 0.112 0.000 0.806 236 G HN 0.650 nan 8.290 nan 0.000 0.527 237 G N -1.630 107.230 108.800 0.100 0.000 2.597 237 G HA2 0.841 4.801 3.960 -0.000 0.000 0.317 237 G HA3 0.841 4.801 3.960 -0.000 0.000 0.317 237 G C -1.642 173.282 174.900 0.041 0.000 1.230 237 G CA -0.709 44.438 45.100 0.079 0.000 0.996 237 G HN 1.383 nan 8.290 nan 0.000 0.490 238 L N -0.672 120.564 121.223 0.022 0.000 2.545 238 L HA 0.612 4.951 4.340 -0.000 0.000 0.258 238 L C -1.295 175.568 176.870 -0.012 0.000 0.942 238 L CA -0.496 54.339 54.840 -0.008 0.000 0.855 238 L CB 2.058 44.099 42.059 -0.029 0.000 1.374 238 L HN 0.494 nan 8.230 nan 0.000 0.411 239 I N 4.960 125.520 120.570 -0.016 0.000 2.474 239 I HA 0.577 4.747 4.170 -0.000 0.000 0.294 239 I C -0.947 175.158 176.117 -0.021 0.000 1.005 239 I CA -0.596 60.715 61.300 0.019 0.000 1.113 239 I CB 1.779 39.839 38.000 0.100 0.000 1.289 239 I HN 0.420 nan 8.210 nan 0.000 0.436 240 L N 5.308 126.532 121.223 0.002 0.000 2.371 240 L HA 0.976 5.316 4.340 -0.000 0.000 0.262 240 L C -0.516 176.404 176.870 0.083 0.000 1.006 240 L CA -0.588 54.249 54.840 -0.005 0.000 0.818 240 L CB 2.172 44.168 42.059 -0.106 0.000 1.354 240 L HN 0.732 nan 8.230 nan 0.000 0.415 241 A N 1.854 124.739 122.820 0.109 0.000 2.608 241 A HA 0.779 5.099 4.320 -0.000 0.000 0.292 241 A C -1.720 175.935 177.584 0.118 0.000 1.066 241 A CA -0.629 51.475 52.037 0.111 0.000 0.676 241 A CB 2.260 21.332 19.000 0.121 0.000 1.277 241 A HN 0.606 nan 8.150 nan 0.000 0.413 242 K N 0.007 120.497 120.400 0.150 0.000 2.525 242 K HA 0.534 4.854 4.320 -0.000 0.000 0.254 242 K C 0.536 177.229 176.600 0.155 0.000 0.934 242 K CA 0.210 56.586 56.287 0.148 0.000 0.802 242 K CB 1.654 34.192 32.500 0.063 0.000 1.295 242 K HN 2.384 nan 8.250 nan 0.000 0.433 243 G N 1.712 110.609 108.800 0.163 0.000 2.168 243 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.257 243 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.257 243 G C 0.270 175.198 174.900 0.046 0.000 0.997 243 G CA 0.280 45.432 45.100 0.087 0.000 0.708 243 G HN 0.864 nan 8.290 nan 0.000 0.520 244 G N -0.405 108.430 108.800 0.059 0.000 2.522 244 G HA2 0.730 4.690 3.960 -0.000 0.000 0.304 244 G HA3 0.730 4.690 3.960 -0.000 0.000 0.304 244 G C 0.567 175.122 174.900 -0.574 0.000 1.210 244 G CA 0.670 45.635 45.100 -0.225 0.000 0.960 244 G HN 1.472 nan 8.290 nan 0.000 0.497 245 S N -1.589 113.795 115.700 -0.528 0.000 2.632 245 S HA 0.501 4.971 4.470 -0.000 0.000 0.267 245 S C 1.479 175.689 174.600 -0.651 0.000 1.276 245 S CA 0.609 58.544 58.200 -0.441 0.000 0.998 245 S CB 1.261 64.320 63.200 -0.236 0.000 0.953 245 S HN 1.027 nan 8.310 nan 0.000 0.547 246 E N 0.513 120.499 120.200 -0.356 0.000 2.153 246 E HA -0.124 4.226 4.350 -0.000 0.000 0.194 246 E C 1.785 178.275 176.600 -0.185 0.000 0.988 246 E CA 1.461 57.725 56.400 -0.227 0.000 0.811 246 E CB -0.967 28.681 29.700 -0.085 0.000 0.746 246 E HN 0.738 nan 8.360 nan 0.000 0.466 247 E N -0.265 119.830 120.200 -0.175 0.000 2.077 247 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 247 E C 2.221 178.734 176.600 -0.144 0.000 0.989 247 E CA 1.203 57.530 56.400 -0.122 0.000 0.800 247 E CB -0.410 29.233 29.700 -0.093 0.000 0.746 247 E HN 0.486 nan 8.360 nan 0.000 0.452 248 L N 0.492 121.581 121.223 -0.224 0.000 2.046 248 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 248 L C 2.170 178.950 176.870 -0.150 0.000 1.077 248 L CA 1.682 56.399 54.840 -0.205 0.000 0.747 248 L CB -0.744 41.170 42.059 -0.241 0.000 0.896 248 L HN 0.062 nan 8.230 nan 0.000 0.432 249 Y N 0.614 120.713 120.300 -0.335 0.000 2.293 249 Y HA -0.116 4.434 4.550 -0.000 0.000 0.291 249 Y C 2.782 178.503 175.900 -0.298 0.000 1.137 249 Y CA 1.371 59.145 58.100 -0.543 0.000 1.202 249 Y CB -1.631 36.544 38.460 -0.474 0.000 0.990 249 Y HN 0.332 nan 8.280 nan 0.000 0.537 250 K N 1.084 121.473 120.400 -0.018 0.000 2.057 250 K HA -0.162 4.158 4.320 -0.000 0.000 0.206 250 K C 2.012 178.595 176.600 -0.028 0.000 1.050 250 K CA 1.716 57.993 56.287 -0.016 0.000 0.935 250 K CB -0.795 31.697 32.500 -0.014 0.000 0.715 250 K HN 0.398 nan 8.250 nan 0.000 0.439 251 K N 0.059 120.425 120.400 -0.056 0.000 2.032 251 K HA 0.012 4.332 4.320 -0.000 0.000 0.209 251 K C 2.298 178.864 176.600 -0.057 0.000 1.048 251 K CA 1.490 57.741 56.287 -0.061 0.000 0.927 251 K CB -0.396 32.047 32.500 -0.094 0.000 0.712 251 K HN 0.300 nan 8.250 nan 0.000 0.441 252 L N 1.196 122.367 121.223 -0.086 0.000 2.046 252 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 252 L C 2.058 178.964 176.870 0.060 0.000 1.077 252 L CA 1.033 55.842 54.840 -0.052 0.000 0.747 252 L CB -0.549 41.433 42.059 -0.127 0.000 0.896 252 L HN 0.222 nan 8.230 nan 0.000 0.432 253 N N -0.408 118.328 118.700 0.059 0.000 2.120 253 N HA -0.145 4.595 4.740 -0.000 0.000 0.188 253 N C 2.040 177.683 175.510 0.222 0.000 1.024 253 N CA 1.520 54.617 53.050 0.078 0.000 0.852 253 N CB -0.245 38.100 38.487 -0.237 0.000 1.003 253 N HN 0.159 nan 8.380 nan 0.000 0.424 254 S N 0.487 116.261 115.700 0.123 0.000 2.383 254 S HA 0.024 4.494 4.470 -0.000 0.000 0.227 254 S C 2.028 176.668 174.600 0.067 0.000 1.026 254 S CA 0.866 59.127 58.200 0.103 0.000 0.981 254 S CB -0.190 63.033 63.200 0.038 0.000 0.818 254 S HN 0.488 nan 8.310 nan 0.000 0.472 255 A N 1.037 123.887 122.820 0.050 0.000 1.933 255 A HA -0.037 4.283 4.320 -0.000 0.000 0.218 255 A C 2.286 179.928 177.584 0.097 0.000 1.175 255 A CA 1.365 53.420 52.037 0.029 0.000 0.628 255 A CB -0.730 18.254 19.000 -0.028 0.000 0.814 255 A HN 0.350 nan 8.150 nan 0.000 0.444 256 V N -2.376 117.632 119.914 0.157 0.000 2.283 256 V HA 0.051 4.171 4.120 -0.000 0.000 0.243 256 V C 0.840 177.082 176.094 0.246 0.000 1.039 256 V CA 1.729 64.148 62.300 0.198 0.000 1.016 256 V CB -0.487 31.482 31.823 0.242 0.000 0.650 256 V HN 0.548 nan 8.190 nan 0.000 0.449 257 F N 1.270 121.305 119.950 0.140 0.000 2.588 257 F HA 0.551 5.078 4.527 -0.000 0.000 0.314 257 F C -2.519 173.356 175.800 0.125 0.000 1.134 257 F CA -2.069 55.983 58.000 0.086 0.000 0.961 257 F CB 2.205 41.207 39.000 0.004 0.000 1.239 257 F HN -0.128 nan 8.300 nan 0.000 0.448 258 P HA 0.168 nan 4.420 nan 0.000 0.255 258 P C 0.901 177.986 177.300 -0.358 0.000 1.357 258 P CA 0.565 62.984 63.100 -1.135 0.000 0.839 258 P CB 0.323 31.349 31.700 -1.123 0.000 1.356 259 G N 1.262 109.971 108.800 -0.151 0.000 2.484 259 G HA2 -0.147 3.812 3.960 -0.000 0.000 0.215 259 G HA3 -0.147 3.812 3.960 -0.000 0.000 0.215 259 G C 1.443 176.388 174.900 0.076 0.000 1.219 259 G CA 0.991 46.079 45.100 -0.019 0.000 0.791 259 G HN 0.402 nan 8.290 nan 0.000 0.550 260 G N -1.449 107.435 108.800 0.140 0.000 3.079 260 G HA2 0.453 4.413 3.960 -0.000 0.000 0.233 260 G HA3 0.453 4.413 3.960 -0.000 0.000 0.233 260 G C 0.516 175.465 174.900 0.083 0.000 1.062 260 G CA -0.080 45.123 45.100 0.172 0.000 0.809 260 G HN 0.457 nan 8.290 nan 0.000 0.535 261 Q N -1.266 118.611 119.800 0.128 0.000 2.544 261 Q HA 0.592 4.932 4.340 -0.000 0.000 0.291 261 Q C 0.234 176.421 176.000 0.311 0.000 1.068 261 Q CA -0.683 55.213 55.803 0.156 0.000 0.785 261 Q CB 2.164 30.908 28.738 0.011 0.000 1.481 261 Q HN 0.125 nan 8.270 nan 0.000 0.430 262 G N -0.336 108.650 108.800 0.309 0.000 3.441 262 G HA2 0.496 4.456 3.960 -0.000 0.000 0.195 262 G HA3 0.496 4.456 3.960 -0.000 0.000 0.195 262 G C -0.190 174.846 174.900 0.227 0.000 1.633 262 G CA -0.061 45.262 45.100 0.372 0.000 0.895 262 G HN 0.561 nan 8.290 nan 0.000 0.654 263 G N 1.387 110.324 108.800 0.228 0.000 2.432 263 G HA2 0.526 4.486 3.960 -0.000 0.000 0.257 263 G HA3 0.526 4.486 3.960 -0.000 0.000 0.257 263 G C -2.150 172.737 174.900 -0.023 0.000 1.238 263 G CA -0.499 44.610 45.100 0.014 0.000 0.838 263 G HN 0.408 nan 8.290 nan 0.000 0.547 264 P HA 0.240 nan 4.420 nan 0.000 0.276 264 P C -0.348 176.949 177.300 -0.006 0.000 1.252 264 P CA -0.541 62.555 63.100 -0.006 0.000 0.802 264 P CB 1.472 33.103 31.700 -0.114 0.000 1.035 265 L N 2.302 123.551 121.223 0.043 0.000 2.315 265 L HA 0.180 4.520 4.340 -0.000 0.000 0.278 265 L C 1.857 178.694 176.870 -0.056 0.000 1.088 265 L CA -0.570 54.254 54.840 -0.027 0.000 0.899 265 L CB 0.101 42.055 42.059 -0.174 0.000 1.277 265 L HN 0.220 nan 8.230 nan 0.000 0.431 266 M N 0.741 120.371 119.600 0.049 0.000 2.202 266 M HA -0.172 4.308 4.480 -0.000 0.000 0.262 266 M C 2.176 178.515 176.300 0.066 0.000 1.063 266 M CA 1.824 57.145 55.300 0.036 0.000 1.097 266 M CB -1.121 31.493 32.600 0.024 0.000 1.382 266 M HN 0.692 nan 8.290 nan 0.000 0.413 267 H N -1.815 117.225 119.070 -0.050 0.000 2.389 267 H HA 0.025 4.581 4.556 -0.000 0.000 0.299 267 H C 1.970 177.283 175.328 -0.026 0.000 1.081 267 H CA 1.017 57.042 56.048 -0.038 0.000 1.345 267 H CB -0.737 28.998 29.762 -0.046 0.000 1.393 267 H HN 0.131 nan 8.280 nan 0.000 0.520 268 V N 1.338 120.971 119.914 -0.468 0.000 2.453 268 V HA -0.174 3.946 4.120 -0.000 0.000 0.247 268 V C 2.480 178.498 176.094 -0.127 0.000 1.048 268 V CA 1.516 63.634 62.300 -0.303 0.000 1.049 268 V CB -0.403 31.212 31.823 -0.347 0.000 0.672 268 V HN 0.433 nan 8.190 nan 0.000 0.457 269 I N 0.629 121.140 120.570 -0.098 0.000 2.361 269 I HA -0.213 3.957 4.170 -0.000 0.000 0.251 269 I C 2.619 178.721 176.117 -0.025 0.000 1.133 269 I CA 1.320 62.594 61.300 -0.044 0.000 1.413 269 I CB -0.504 37.476 38.000 -0.033 0.000 1.073 269 I HN 0.296 nan 8.210 nan 0.000 0.424 270 A N 0.908 123.718 122.820 -0.016 0.000 1.930 270 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 270 A C 2.434 180.013 177.584 -0.007 0.000 1.175 270 A CA 1.749 53.785 52.037 -0.001 0.000 0.627 270 A CB -1.249 17.761 19.000 0.016 0.000 0.815 270 A HN 0.448 nan 8.150 nan 0.000 0.443 271 G N -0.209 108.581 108.800 -0.016 0.000 2.408 271 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 271 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 271 G C 1.655 176.549 174.900 -0.010 0.000 1.150 271 G CA 1.030 46.123 45.100 -0.012 0.000 0.776 271 G HN 0.579 nan 8.290 nan 0.000 0.542 272 K N 0.616 121.008 120.400 -0.014 0.000 2.097 272 K HA 0.052 4.372 4.320 -0.000 0.000 0.206 272 K C 2.941 179.534 176.600 -0.013 0.000 1.049 272 K CA 0.935 57.219 56.287 -0.006 0.000 0.933 272 K CB -0.208 32.290 32.500 -0.002 0.000 0.717 272 K HN 0.264 nan 8.250 nan 0.000 0.442 273 A N 1.046 123.857 122.820 -0.015 0.000 1.865 273 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 273 A C 2.330 179.896 177.584 -0.030 0.000 1.191 273 A CA 1.703 53.728 52.037 -0.020 0.000 0.623 273 A CB -0.846 18.146 19.000 -0.013 0.000 0.826 273 A HN 0.173 nan 8.150 nan 0.000 0.444 274 V N -0.388 119.511 119.914 -0.024 0.000 2.548 274 V HA -0.061 4.059 4.120 -0.000 0.000 0.249 274 V C 2.716 178.782 176.094 -0.047 0.000 1.055 274 V CA 2.041 64.323 62.300 -0.030 0.000 1.065 274 V CB -0.608 31.206 31.823 -0.015 0.000 0.681 274 V HN 0.597 nan 8.190 nan 0.000 0.462 275 A N -0.266 122.529 122.820 -0.042 0.000 1.930 275 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 275 A C 2.113 179.620 177.584 -0.129 0.000 1.175 275 A CA 1.872 53.872 52.037 -0.062 0.000 0.627 275 A CB -0.526 18.460 19.000 -0.022 0.000 0.815 275 A HN 0.564 nan 8.150 nan 0.000 0.443 276 L N -0.787 120.375 121.223 -0.103 0.000 2.201 276 L HA -0.149 4.190 4.340 -0.000 0.000 0.212 276 L C 2.577 179.339 176.870 -0.180 0.000 1.105 276 L CA 1.695 56.451 54.840 -0.141 0.000 0.775 276 L CB -0.339 41.675 42.059 -0.076 0.000 0.913 276 L HN 0.470 nan 8.230 nan 0.000 0.440 277 K N 0.559 120.880 120.400 -0.132 0.000 2.103 277 K HA -0.151 4.169 4.320 -0.000 0.000 0.204 277 K C 1.848 178.358 176.600 -0.150 0.000 1.052 277 K CA 1.115 57.331 56.287 -0.118 0.000 0.945 277 K CB 0.123 32.580 32.500 -0.072 0.000 0.722 277 K HN 0.320 nan 8.250 nan 0.000 0.443 278 E N 0.045 120.146 120.200 -0.166 0.000 2.150 278 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 278 E C 1.734 178.114 176.600 -0.367 0.000 0.985 278 E CA 0.872 57.168 56.400 -0.174 0.000 0.814 278 E CB -0.035 29.593 29.700 -0.119 0.000 0.752 278 E HN 0.388 nan 8.360 nan 0.000 0.466 279 A N 0.552 122.986 122.820 -0.643 0.000 2.209 279 A HA -0.057 4.263 4.320 -0.000 0.000 0.212 279 A C 1.921 179.138 177.584 -0.611 0.000 1.158 279 A CA 0.764 52.004 52.037 -1.329 0.000 0.742 279 A CB -0.293 18.035 19.000 -1.120 0.000 0.790 279 A HN 0.146 nan 8.150 nan 0.000 0.472 280 M N -0.225 119.193 119.600 -0.304 0.000 2.509 280 M HA 0.067 4.547 4.480 -0.000 0.000 0.250 280 M C -0.105 176.175 176.300 -0.034 0.000 1.132 280 M CA 0.175 55.393 55.300 -0.137 0.000 1.080 280 M CB 0.162 32.691 32.600 -0.119 0.000 1.408 280 M HN 0.160 nan 8.290 nan 0.000 0.484 281 E N 0.876 121.068 120.200 -0.014 0.000 2.415 281 E HA -0.001 4.349 4.350 -0.000 0.000 0.262 281 E C -1.767 174.909 176.600 0.126 0.000 1.038 281 E CA -1.257 55.176 56.400 0.056 0.000 0.921 281 E CB 0.075 29.816 29.700 0.069 0.000 0.950 281 E HN 0.019 nan 8.360 nan 0.000 0.438 282 P HA -0.122 nan 4.420 nan 0.000 0.217 282 P C 0.608 177.987 177.300 0.131 0.000 1.150 282 P CA 1.147 64.308 63.100 0.102 0.000 0.832 282 P CB 0.355 32.096 31.700 0.068 0.000 0.787 283 E N -1.499 118.782 120.200 0.134 0.000 2.204 283 E HA -0.167 4.183 4.350 -0.000 0.000 0.195 283 E C 1.613 178.339 176.600 0.210 0.000 0.990 283 E CA 0.784 57.269 56.400 0.142 0.000 0.821 283 E CB -1.134 28.635 29.700 0.115 0.000 0.750 283 E HN 0.261 nan 8.360 nan 0.000 0.477 284 F N 1.481 121.489 119.950 0.096 0.000 2.186 284 F HA -0.101 4.426 4.527 -0.000 0.000 0.299 284 F C 2.049 177.957 175.800 0.181 0.000 1.090 284 F CA 1.364 59.458 58.000 0.157 0.000 1.307 284 F CB 0.100 39.157 39.000 0.094 0.000 1.019 284 F HN -0.140 nan 8.300 nan 0.000 0.489 285 K N -0.327 120.193 120.400 0.200 0.000 2.057 285 K HA -0.167 4.153 4.320 -0.000 0.000 0.206 285 K C 2.139 178.748 176.600 0.016 0.000 1.050 285 K CA 1.883 58.222 56.287 0.087 0.000 0.935 285 K CB -0.410 32.157 32.500 0.112 0.000 0.715 285 K HN 0.419 nan 8.250 nan 0.000 0.439 286 T N -1.536 113.051 114.554 0.056 0.000 2.867 286 T HA -0.188 4.162 4.350 -0.000 0.000 0.268 286 T C 1.877 176.593 174.700 0.026 0.000 1.057 286 T CA 0.948 63.072 62.100 0.041 0.000 1.136 286 T CB -0.522 68.385 68.868 0.066 0.000 0.874 286 T HN 0.371 nan 8.240 nan 0.000 0.466 287 Y N 2.319 122.565 120.300 -0.092 0.000 2.145 287 Y HA -0.070 4.480 4.550 -0.000 0.000 0.286 287 Y C 2.569 178.363 175.900 -0.177 0.000 1.145 287 Y CA 1.502 59.522 58.100 -0.134 0.000 1.148 287 Y CB -0.614 37.729 38.460 -0.194 0.000 0.981 287 Y HN 0.090 nan 8.280 nan 0.000 0.507 288 Q N 0.589 120.028 119.800 -0.600 0.000 2.170 288 Q HA -0.211 4.129 4.340 -0.000 0.000 0.203 288 Q C 2.178 177.994 176.000 -0.306 0.000 0.976 288 Q CA 1.865 57.316 55.803 -0.587 0.000 0.858 288 Q CB -0.426 28.078 28.738 -0.390 0.000 0.907 288 Q HN 0.710 nan 8.270 nan 0.000 0.433 289 Q N -0.153 119.540 119.800 -0.178 0.000 2.079 289 Q HA -0.148 4.192 4.340 -0.000 0.000 0.200 289 Q C 2.146 178.094 176.000 -0.086 0.000 0.974 289 Q CA 0.870 56.622 55.803 -0.085 0.000 0.840 289 Q CB 0.037 28.753 28.738 -0.036 0.000 0.898 289 Q HN 0.280 nan 8.270 nan 0.000 0.430 290 Q N 0.046 119.784 119.800 -0.103 0.000 2.124 290 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 290 Q C 2.238 178.183 176.000 -0.092 0.000 0.977 290 Q CA 0.977 56.743 55.803 -0.062 0.000 0.850 290 Q CB -0.195 28.537 28.738 -0.011 0.000 0.901 290 Q HN 0.256 nan 8.270 nan 0.000 0.429 291 V N 0.975 120.759 119.914 -0.218 0.000 2.287 291 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 291 V C 2.384 178.440 176.094 -0.062 0.000 1.053 291 V CA 1.997 64.181 62.300 -0.193 0.000 1.027 291 V CB -1.080 30.521 31.823 -0.370 0.000 0.646 291 V HN 0.357 nan 8.190 nan 0.000 0.447 292 A N -0.768 122.021 122.820 -0.052 0.000 1.898 292 A HA -0.225 4.095 4.320 -0.000 0.000 0.216 292 A C 2.310 179.899 177.584 0.010 0.000 1.181 292 A CA 1.926 53.970 52.037 0.011 0.000 0.620 292 A CB -0.444 18.570 19.000 0.025 0.000 0.819 292 A HN 0.522 nan 8.150 nan 0.000 0.442 293 K N -0.380 120.016 120.400 -0.007 0.000 2.026 293 K HA -0.147 4.173 4.320 -0.000 0.000 0.208 293 K C 1.768 178.373 176.600 0.008 0.000 1.048 293 K CA 1.471 57.757 56.287 -0.002 0.000 0.929 293 K CB -0.236 32.261 32.500 -0.005 0.000 0.713 293 K HN 0.390 nan 8.250 nan 0.000 0.439 294 N N 0.822 119.531 118.700 0.015 0.000 2.166 294 N HA -0.143 4.597 4.740 -0.000 0.000 0.186 294 N C 1.621 177.169 175.510 0.063 0.000 1.019 294 N CA 1.279 54.352 53.050 0.039 0.000 0.856 294 N CB -0.300 38.219 38.487 0.052 0.000 0.993 294 N HN 0.194 nan 8.380 nan 0.000 0.426 295 A N 1.281 124.143 122.820 0.071 0.000 1.902 295 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 295 A C 2.164 179.775 177.584 0.045 0.000 1.181 295 A CA 1.313 53.428 52.037 0.129 0.000 0.623 295 A CB -0.313 18.764 19.000 0.127 0.000 0.818 295 A HN 0.232 nan 8.150 nan 0.000 0.443 296 K N -0.370 120.030 120.400 -0.001 0.000 2.057 296 K HA -0.027 4.293 4.320 -0.000 0.000 0.206 296 K C 2.324 178.888 176.600 -0.061 0.000 1.050 296 K CA 1.040 57.296 56.287 -0.052 0.000 0.935 296 K CB -0.323 32.157 32.500 -0.034 0.000 0.715 296 K HN 0.429 nan 8.250 nan 0.000 0.439 297 A N 1.309 124.115 122.820 -0.025 0.000 1.940 297 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 297 A C 2.112 179.685 177.584 -0.019 0.000 1.176 297 A CA 1.615 53.638 52.037 -0.024 0.000 0.631 297 A CB -0.472 18.520 19.000 -0.012 0.000 0.814 297 A HN 0.205 nan 8.150 nan 0.000 0.446 298 M N -0.878 118.732 119.600 0.017 0.000 2.175 298 M HA -0.099 4.381 4.480 -0.000 0.000 0.264 298 M C 2.058 178.350 176.300 -0.013 0.000 1.063 298 M CA 1.085 56.442 55.300 0.095 0.000 1.119 298 M CB -0.346 32.426 32.600 0.286 0.000 1.377 298 M HN 0.257 nan 8.290 nan 0.000 0.415 299 V N 0.568 120.291 119.914 -0.318 0.000 2.343 299 V HA -0.251 3.868 4.120 -0.000 0.000 0.247 299 V C 2.015 178.015 176.094 -0.157 0.000 1.051 299 V CA 1.853 63.860 62.300 -0.488 0.000 1.036 299 V CB -0.756 30.747 31.823 -0.533 0.000 0.654 299 V HN 0.477 nan 8.190 nan 0.000 0.451 300 E N 0.003 120.142 120.200 -0.101 0.000 2.049 300 E HA -0.227 4.123 4.350 -0.000 0.000 0.198 300 E C 2.251 178.837 176.600 -0.023 0.000 1.007 300 E CA 1.924 58.291 56.400 -0.054 0.000 0.809 300 E CB -0.339 29.332 29.700 -0.049 0.000 0.749 300 E HN 0.454 nan 8.360 nan 0.000 0.450 301 V N 0.704 120.603 119.914 -0.024 0.000 2.287 301 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 301 V C 2.035 178.095 176.094 -0.056 0.000 1.053 301 V CA 1.879 64.142 62.300 -0.061 0.000 1.027 301 V CB -0.628 31.122 31.823 -0.120 0.000 0.646 301 V HN 0.207 nan 8.190 nan 0.000 0.447 302 F N -0.311 119.596 119.950 -0.070 0.000 2.161 302 F HA -0.179 4.348 4.527 -0.000 0.000 0.300 302 F C 2.160 178.002 175.800 0.070 0.000 1.089 302 F CA 1.632 59.628 58.000 -0.006 0.000 1.282 302 F CB -0.443 38.508 39.000 -0.081 0.000 1.010 302 F HN 0.057 nan 8.300 nan 0.000 0.485 303 L N -0.596 120.723 121.223 0.160 0.000 2.027 303 L HA -0.188 4.152 4.340 -0.000 0.000 0.206 303 L C 2.323 179.229 176.870 0.060 0.000 1.074 303 L CA 1.395 56.289 54.840 0.091 0.000 0.745 303 L CB -0.695 41.377 42.059 0.021 0.000 0.898 303 L HN 0.131 nan 8.230 nan 0.000 0.433 304 E N -0.109 120.110 120.200 0.031 0.000 2.085 304 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 304 E C 1.995 178.608 176.600 0.020 0.000 0.994 304 E CA 0.756 57.162 56.400 0.010 0.000 0.801 304 E CB 0.034 29.727 29.700 -0.011 0.000 0.743 304 E HN 0.283 nan 8.360 nan 0.000 0.453 305 R N -0.323 120.207 120.500 0.049 0.000 2.323 305 R HA 0.010 4.350 4.340 -0.000 0.000 0.198 305 R C 1.020 177.369 176.300 0.083 0.000 0.988 305 R CA 0.777 56.928 56.100 0.086 0.000 1.041 305 R CB 0.042 30.405 30.300 0.104 0.000 0.926 305 R HN 0.335 nan 8.270 nan 0.000 0.476 306 G N 0.477 109.304 108.800 0.045 0.000 2.142 306 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.225 306 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.225 306 G C -0.486 174.303 174.900 -0.186 0.000 1.015 306 G CA -0.181 44.871 45.100 -0.080 0.000 0.716 306 G HN 0.302 nan 8.290 nan 0.000 0.508 307 Y N -0.239 120.108 120.300 0.079 0.000 2.387 307 Y HA 0.560 5.110 4.550 -0.000 0.000 0.330 307 Y C 0.778 176.734 175.900 0.092 0.000 1.133 307 Y CA -0.828 57.349 58.100 0.129 0.000 1.152 307 Y CB 1.324 39.961 38.460 0.294 0.000 1.215 307 Y HN 0.085 nan 8.280 nan 0.000 0.466 308 K N 2.552 123.068 120.400 0.194 0.000 2.316 308 K HA 0.407 4.727 4.320 -0.000 0.000 0.289 308 K C -1.472 175.181 176.600 0.089 0.000 1.070 308 K CA -0.195 56.151 56.287 0.099 0.000 0.928 308 K CB 0.288 32.820 32.500 0.054 0.000 1.039 308 K HN 0.502 nan 8.250 nan 0.000 0.480 309 V N 5.875 125.810 119.914 0.035 0.000 2.328 309 V HA 0.102 4.222 4.120 -0.000 0.000 0.278 309 V C 0.012 176.085 176.094 -0.036 0.000 1.021 309 V CA -0.982 61.308 62.300 -0.017 0.000 0.838 309 V CB 1.356 33.113 31.823 -0.110 0.000 0.999 309 V HN 0.561 nan 8.190 nan 0.000 0.447 310 V N 5.107 124.998 119.914 -0.038 0.000 2.644 310 V HA 0.023 4.143 4.120 -0.000 0.000 0.305 310 V C 1.316 177.339 176.094 -0.118 0.000 1.053 310 V CA 1.377 63.634 62.300 -0.072 0.000 1.186 310 V CB 0.503 32.276 31.823 -0.083 0.000 0.895 310 V HN 1.228 nan 8.190 nan 0.000 0.490 311 S N 2.595 118.217 115.700 -0.130 0.000 2.857 311 S HA -0.236 4.234 4.470 -0.000 0.000 0.268 311 S C 1.484 176.050 174.600 -0.056 0.000 1.297 311 S CA 1.373 59.452 58.200 -0.201 0.000 1.280 311 S CB -1.616 61.328 63.200 -0.427 0.000 1.562 311 S HN 2.383 nan 8.310 nan 0.000 0.661 312 G N 0.199 108.971 108.800 -0.048 0.000 2.196 312 G HA2 0.102 4.062 3.960 -0.000 0.000 0.268 312 G HA3 0.102 4.062 3.960 -0.000 0.000 0.268 312 G C 0.806 175.669 174.900 -0.061 0.000 0.975 312 G CA 1.081 46.163 45.100 -0.030 0.000 0.648 312 G HN 1.979 nan 8.290 nan 0.000 0.538 313 G N -2.923 105.819 108.800 -0.096 0.000 2.348 313 G HA2 0.717 4.677 3.960 -0.000 0.000 0.296 313 G HA3 0.717 4.677 3.960 -0.000 0.000 0.296 313 G C -0.880 173.938 174.900 -0.136 0.000 1.258 313 G CA 0.745 45.772 45.100 -0.122 0.000 0.868 313 G HN 1.474 nan 8.290 nan 0.000 0.488 314 T N -0.971 113.516 114.554 -0.112 0.000 2.932 314 T HA 0.578 4.928 4.350 -0.000 0.000 0.318 314 T C -1.412 173.257 174.700 -0.052 0.000 1.265 314 T CA -0.336 61.706 62.100 -0.096 0.000 1.036 314 T CB 1.943 70.788 68.868 -0.039 0.000 1.209 314 T HN 0.322 nan 8.240 nan 0.000 0.484 315 D N 2.165 122.544 120.400 -0.035 0.000 2.513 315 D HA 0.195 4.835 4.640 -0.000 0.000 0.222 315 D C 0.197 176.590 176.300 0.154 0.000 1.210 315 D CA -0.032 53.987 54.000 0.032 0.000 0.825 315 D CB 0.677 41.477 40.800 0.001 0.000 1.037 315 D HN 0.662 nan 8.370 nan 0.000 0.506 316 N N -0.710 118.071 118.700 0.136 0.000 3.600 316 N HA -0.009 4.731 4.740 -0.000 0.000 0.351 316 N C 0.832 176.443 175.510 0.168 0.000 1.614 316 N CA -0.410 52.782 53.050 0.237 0.000 0.664 316 N CB -0.138 38.540 38.487 0.318 0.000 2.485 316 N HN -0.172 nan 8.380 nan 0.000 0.629 317 H N -0.909 118.195 119.070 0.056 0.000 2.548 317 H HA 0.362 4.918 4.556 -0.000 0.000 0.265 317 H C 0.062 175.408 175.328 0.029 0.000 0.969 317 H CA -0.067 55.997 56.048 0.028 0.000 1.155 317 H CB -0.398 29.366 29.762 0.004 0.000 1.394 317 H HN 0.519 nan 8.280 nan 0.000 0.570 318 L N -1.498 119.446 121.223 -0.465 0.000 2.250 318 L HA 0.776 5.116 4.340 -0.000 0.000 0.252 318 L C -1.165 175.617 176.870 -0.147 0.000 1.054 318 L CA -1.655 52.945 54.840 -0.401 0.000 0.856 318 L CB 1.830 43.543 42.059 -0.576 0.000 1.443 318 L HN -0.036 nan 8.230 nan 0.000 0.427 319 F N -1.803 117.985 119.950 -0.270 0.000 2.725 319 F HA 0.760 5.287 4.527 -0.000 0.000 0.309 319 F C -2.132 173.516 175.800 -0.253 0.000 1.132 319 F CA -1.223 56.620 58.000 -0.262 0.000 0.957 319 F CB 0.856 39.706 39.000 -0.250 0.000 1.286 319 F HN 0.554 nan 8.300 nan 0.000 0.440 320 L N 2.898 124.117 121.223 -0.007 0.000 2.325 320 L HA 0.778 5.118 4.340 -0.000 0.000 0.278 320 L C -0.850 176.027 176.870 0.011 0.000 1.023 320 L CA -1.407 53.386 54.840 -0.077 0.000 0.811 320 L CB 1.992 44.001 42.059 -0.083 0.000 1.249 320 L HN 0.628 nan 8.230 nan 0.000 0.431 321 V N 1.916 121.804 119.914 -0.044 0.000 2.313 321 V HA 0.170 4.290 4.120 -0.000 0.000 0.278 321 V C -0.242 175.870 176.094 0.030 0.000 1.017 321 V CA -0.665 61.636 62.300 0.002 0.000 0.823 321 V CB 1.412 33.197 31.823 -0.062 0.000 1.010 321 V HN 0.618 nan 8.190 nan 0.000 0.443 322 D N 4.391 124.820 120.400 0.048 0.000 2.339 322 D HA 0.154 4.794 4.640 -0.000 0.000 0.256 322 D C 0.169 176.520 176.300 0.086 0.000 1.214 322 D CA -0.213 53.811 54.000 0.040 0.000 0.877 322 D CB 1.779 42.589 40.800 0.016 0.000 1.111 322 D HN 0.276 nan 8.370 nan 0.000 0.478 323 L N 4.827 126.096 121.223 0.076 0.000 2.728 323 L HA 0.065 4.405 4.340 -0.000 0.000 0.238 323 L C 2.006 178.911 176.870 0.060 0.000 1.143 323 L CA 0.125 55.026 54.840 0.102 0.000 0.937 323 L CB 0.068 42.191 42.059 0.107 0.000 1.225 323 L HN 0.321 nan 8.230 nan 0.000 0.507 324 V N 0.776 120.712 119.914 0.036 0.000 2.287 324 V HA -0.308 3.812 4.120 -0.000 0.000 0.248 324 V C 2.276 178.380 176.094 0.016 0.000 1.053 324 V CA 2.173 64.486 62.300 0.021 0.000 1.027 324 V CB -0.599 31.231 31.823 0.011 0.000 0.646 324 V HN 0.633 nan 8.190 nan 0.000 0.447 325 D N -0.396 120.010 120.400 0.011 0.000 2.310 325 D HA -0.183 4.457 4.640 -0.000 0.000 0.212 325 D C 1.566 177.859 176.300 -0.011 0.000 0.965 325 D CA 0.776 54.773 54.000 -0.005 0.000 0.879 325 D CB -0.228 40.561 40.800 -0.018 0.000 0.921 325 D HN 0.335 nan 8.370 nan 0.000 0.510 326 K N -0.314 120.090 120.400 0.007 0.000 2.404 326 K HA 0.004 4.324 4.320 -0.000 0.000 0.194 326 K C 0.760 177.376 176.600 0.027 0.000 1.023 326 K CA 0.625 56.918 56.287 0.010 0.000 1.094 326 K CB -0.907 31.627 32.500 0.057 0.000 0.841 326 K HN 0.446 nan 8.250 nan 0.000 0.523 327 N N 1.236 119.950 118.700 0.023 0.000 2.727 327 N HA -0.190 4.550 4.740 -0.000 0.000 0.251 327 N C -0.296 175.234 175.510 0.032 0.000 1.040 327 N CA 1.174 54.237 53.050 0.023 0.000 0.712 327 N CB -2.277 36.219 38.487 0.016 0.000 0.912 327 N HN 0.196 nan 8.380 nan 0.000 0.545 328 L N -0.320 120.927 121.223 0.041 0.000 2.409 328 L HA 0.787 5.127 4.340 -0.000 0.000 0.262 328 L C 0.792 177.682 176.870 0.033 0.000 0.992 328 L CA -0.510 54.356 54.840 0.044 0.000 0.817 328 L CB 2.417 44.517 42.059 0.068 0.000 1.350 328 L HN 0.556 nan 8.230 nan 0.000 0.411 329 T N -2.064 112.503 114.554 0.022 0.000 2.928 329 T HA 0.327 4.677 4.350 -0.000 0.000 0.284 329 T C 1.175 175.873 174.700 -0.003 0.000 1.008 329 T CA -0.078 62.027 62.100 0.008 0.000 1.057 329 T CB 1.797 70.666 68.868 0.002 0.000 1.018 329 T HN 0.710 nan 8.240 nan 0.000 0.493 330 G N 0.671 109.460 108.800 -0.018 0.000 2.450 330 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.220 330 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.220 330 G C 1.328 176.194 174.900 -0.057 0.000 1.130 330 G CA 0.819 45.898 45.100 -0.035 0.000 0.760 330 G HN 0.830 nan 8.290 nan 0.000 0.557 331 K N 0.367 120.723 120.400 -0.074 0.000 2.057 331 K HA -0.100 4.220 4.320 -0.000 0.000 0.207 331 K C 2.374 178.941 176.600 -0.056 0.000 1.049 331 K CA 1.485 57.711 56.287 -0.101 0.000 0.931 331 K CB -0.129 32.302 32.500 -0.115 0.000 0.714 331 K HN 0.436 nan 8.250 nan 0.000 0.440 332 E N -0.075 120.110 120.200 -0.026 0.000 2.028 332 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 332 E C 2.038 178.636 176.600 -0.003 0.000 0.988 332 E CA 1.001 57.397 56.400 -0.007 0.000 0.799 332 E CB -0.151 29.554 29.700 0.009 0.000 0.755 332 E HN 0.396 nan 8.360 nan 0.000 0.447 333 A N 1.958 124.780 122.820 0.003 0.000 1.883 333 A HA -0.287 4.033 4.320 -0.000 0.000 0.217 333 A C 2.063 179.643 177.584 -0.006 0.000 1.186 333 A CA 1.960 54.004 52.037 0.010 0.000 0.624 333 A CB -0.674 18.339 19.000 0.020 0.000 0.822 333 A HN 0.317 nan 8.150 nan 0.000 0.444 334 D N 0.078 120.463 120.400 -0.026 0.000 2.104 334 D HA -0.136 4.504 4.640 -0.000 0.000 0.194 334 D C 2.103 178.386 176.300 -0.027 0.000 0.994 334 D CA 1.703 55.681 54.000 -0.036 0.000 0.830 334 D CB -0.175 40.587 40.800 -0.063 0.000 0.959 334 D HN 0.338 nan 8.370 nan 0.000 0.452 335 A N 0.955 123.759 122.820 -0.026 0.000 1.898 335 A HA 0.049 4.369 4.320 -0.000 0.000 0.216 335 A C 2.451 180.029 177.584 -0.010 0.000 1.181 335 A CA 2.195 54.222 52.037 -0.016 0.000 0.620 335 A CB -0.757 18.235 19.000 -0.013 0.000 0.819 335 A HN 0.361 nan 8.150 nan 0.000 0.442 336 A N -0.203 122.614 122.820 -0.005 0.000 1.873 336 A HA -0.018 4.302 4.320 -0.000 0.000 0.215 336 A C 2.156 179.735 177.584 -0.008 0.000 1.186 336 A CA 1.452 53.489 52.037 -0.001 0.000 0.616 336 A CB -0.620 18.385 19.000 0.009 0.000 0.823 336 A HN 0.456 nan 8.150 nan 0.000 0.442 337 L N -0.615 120.604 121.223 -0.006 0.000 2.083 337 L HA -0.120 4.220 4.340 -0.000 0.000 0.209 337 L C 2.788 179.634 176.870 -0.039 0.000 1.083 337 L CA 0.968 55.803 54.840 -0.009 0.000 0.752 337 L CB -0.711 41.350 42.059 0.003 0.000 0.899 337 L HN 0.503 nan 8.230 nan 0.000 0.433 338 G N -0.373 108.402 108.800 -0.041 0.000 2.422 338 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 338 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 338 G C 1.728 176.578 174.900 -0.084 0.000 1.146 338 G CA 0.311 45.371 45.100 -0.066 0.000 0.769 338 G HN 0.284 nan 8.290 nan 0.000 0.547 339 R N 0.234 120.706 120.500 -0.046 0.000 2.237 339 R HA 0.124 4.464 4.340 -0.000 0.000 0.219 339 R C 2.200 178.465 176.300 -0.058 0.000 1.080 339 R CA 0.705 56.782 56.100 -0.038 0.000 0.995 339 R CB -0.024 30.265 30.300 -0.019 0.000 0.875 339 R HN 0.336 nan 8.270 nan 0.000 0.462 340 A N 0.472 123.248 122.820 -0.073 0.000 2.423 340 A HA 0.125 4.445 4.320 -0.000 0.000 0.246 340 A C -0.075 177.439 177.584 -0.117 0.000 1.278 340 A CA -0.323 51.668 52.037 -0.078 0.000 0.903 340 A CB 0.111 19.082 19.000 -0.048 0.000 0.997 340 A HN 0.325 nan 8.150 nan 0.000 0.510 341 N N -1.127 117.440 118.700 -0.220 0.000 2.741 341 N HA -0.140 4.600 4.740 -0.000 0.000 0.250 341 N C -0.638 174.682 175.510 -0.318 0.000 1.115 341 N CA 1.098 53.873 53.050 -0.460 0.000 0.724 341 N CB -1.574 36.765 38.487 -0.247 0.000 1.090 341 N HN 0.605 nan 8.380 nan 0.000 0.558 342 I N 0.461 120.927 120.570 -0.174 0.000 2.359 342 I HA 0.165 4.334 4.170 -0.000 0.000 0.284 342 I C 0.042 176.126 176.117 -0.056 0.000 1.018 342 I CA -0.346 60.924 61.300 -0.050 0.000 1.173 342 I CB 1.366 39.385 38.000 0.033 0.000 1.326 342 I HN -0.114 nan 8.210 nan 0.000 0.462 343 T N 6.459 120.997 114.554 -0.026 0.000 2.733 343 T HA 0.471 4.821 4.350 -0.000 0.000 0.294 343 T C 0.278 174.975 174.700 -0.004 0.000 0.956 343 T CA -0.412 61.695 62.100 0.010 0.000 0.987 343 T CB 1.120 70.049 68.868 0.101 0.000 0.920 343 T HN 0.450 nan 8.240 nan 0.000 0.470 344 V N 1.442 121.343 119.914 -0.022 0.000 3.271 344 V HA 0.793 4.913 4.120 -0.000 0.000 0.305 344 V C -1.015 175.051 176.094 -0.046 0.000 1.303 344 V CA -1.265 61.005 62.300 -0.050 0.000 1.038 344 V CB 2.133 33.914 31.823 -0.070 0.000 1.197 344 V HN 0.882 nan 8.190 nan 0.000 0.478 345 N N -0.173 118.488 118.700 -0.066 0.000 2.287 345 N HA 0.307 5.047 4.740 -0.000 0.000 0.289 345 N C -1.045 174.418 175.510 -0.078 0.000 1.066 345 N CA -0.771 52.242 53.050 -0.060 0.000 0.841 345 N CB 2.592 41.056 38.487 -0.038 0.000 1.599 345 N HN 0.986 nan 8.380 nan 0.000 0.476 346 K N 1.544 121.890 120.400 -0.089 0.000 2.469 346 K HA 0.114 4.434 4.320 -0.000 0.000 0.274 346 K C -0.940 175.612 176.600 -0.079 0.000 0.983 346 K CA 0.001 56.232 56.287 -0.094 0.000 0.974 346 K CB 0.366 32.785 32.500 -0.134 0.000 0.913 346 K HN 0.677 nan 8.250 nan 0.000 0.493 347 N N 0.230 118.889 118.700 -0.068 0.000 2.371 347 N HA 0.125 4.865 4.740 -0.000 0.000 0.280 347 N C -1.675 173.811 175.510 -0.041 0.000 1.084 347 N CA -0.466 52.552 53.050 -0.053 0.000 0.892 347 N CB 2.159 40.605 38.487 -0.067 0.000 1.653 347 N HN 0.639 nan 8.380 nan 0.000 0.480 348 S N 0.441 116.126 115.700 -0.025 0.000 2.579 348 S HA 0.373 4.843 4.470 -0.000 0.000 0.275 348 S C -0.080 174.505 174.600 -0.025 0.000 1.345 348 S CA -0.552 57.639 58.200 -0.015 0.000 1.031 348 S CB 0.545 63.746 63.200 0.001 0.000 0.892 348 S HN 0.420 nan 8.310 nan 0.000 0.529 349 V N -0.973 118.925 119.914 -0.028 0.000 3.074 349 V HA 0.655 4.775 4.120 -0.000 0.000 0.314 349 V C -3.102 172.946 176.094 -0.076 0.000 1.117 349 V CA -3.281 58.987 62.300 -0.053 0.000 1.014 349 V CB 1.014 32.808 31.823 -0.048 0.000 1.057 349 V HN 0.505 nan 8.190 nan 0.000 0.438 350 P HA 0.174 nan 4.420 nan 0.000 0.261 350 P C -0.198 177.010 177.300 -0.153 0.000 1.183 350 P CA 0.744 63.636 63.100 -0.347 0.000 0.761 350 P CB -0.082 31.273 31.700 -0.575 0.000 0.785 351 N N 0.014 118.696 118.700 -0.029 0.000 2.747 351 N HA -0.186 4.554 4.740 -0.000 0.000 0.249 351 N C -0.222 175.295 175.510 0.012 0.000 1.107 351 N CA 0.829 53.897 53.050 0.029 0.000 0.707 351 N CB -1.549 36.946 38.487 0.013 0.000 1.054 351 N HN 0.546 nan 8.380 nan 0.000 0.555 352 D N 1.520 121.926 120.400 0.011 0.000 2.434 352 D HA 0.060 4.700 4.640 -0.000 0.000 0.252 352 D C -0.639 175.672 176.300 0.018 0.000 1.185 352 D CA -0.947 53.058 54.000 0.009 0.000 0.886 352 D CB 0.903 41.708 40.800 0.008 0.000 1.148 352 D HN 0.195 nan 8.370 nan 0.000 0.483 353 P HA -0.002 nan 4.420 nan 0.000 0.241 353 P C 0.015 177.328 177.300 0.020 0.000 1.191 353 P CA 0.364 63.474 63.100 0.018 0.000 0.771 353 P CB 0.557 32.266 31.700 0.015 0.000 0.929 354 K N 0.540 120.952 120.400 0.021 0.000 2.185 354 K HA 0.358 4.678 4.320 -0.000 0.000 0.240 354 K C 0.672 177.291 176.600 0.032 0.000 0.983 354 K CA -0.542 55.761 56.287 0.026 0.000 0.873 354 K CB 1.420 33.934 32.500 0.023 0.000 1.118 354 K HN 0.017 nan 8.250 nan 0.000 0.441 355 S N 0.113 115.840 115.700 0.045 0.000 2.603 355 S HA 0.203 4.673 4.470 -0.000 0.000 0.268 355 S C -1.816 172.824 174.600 0.067 0.000 1.317 355 S CA -0.893 57.341 58.200 0.056 0.000 1.012 355 S CB 0.813 64.054 63.200 0.069 0.000 0.926 355 S HN 0.241 nan 8.310 nan 0.000 0.539 356 P HA -0.103 nan 4.420 nan 0.000 0.218 356 P C 0.819 178.184 177.300 0.108 0.000 1.146 356 P CA 1.016 64.158 63.100 0.070 0.000 0.820 356 P CB -0.050 31.689 31.700 0.064 0.000 0.778 357 F N -1.186 118.763 119.950 -0.003 0.000 2.615 357 F HA -0.028 4.499 4.527 -0.000 0.000 0.297 357 F C 1.725 177.527 175.800 0.003 0.000 1.124 357 F CA 0.806 58.807 58.000 0.000 0.000 1.451 357 F CB -0.012 38.988 39.000 0.001 0.000 1.103 357 F HN -0.280 nan 8.300 nan 0.000 0.569 358 V N -0.908 119.030 119.914 0.039 0.000 2.602 358 V HA 0.075 4.195 4.120 -0.000 0.000 0.235 358 V C 0.799 176.867 176.094 -0.043 0.000 1.087 358 V CA 1.058 63.347 62.300 -0.018 0.000 1.117 358 V CB -0.586 31.265 31.823 0.047 0.000 0.820 358 V HN 0.447 nan 8.190 nan 0.000 0.490 359 T N -0.823 113.725 114.554 -0.010 0.000 0.541 359 T HA -0.247 4.103 4.350 -0.000 0.000 0.774 359 T C 0.104 174.798 174.700 -0.010 0.000 0.992 359 T CA 0.368 62.459 62.100 -0.014 0.000 4.077 359 T CB -1.423 67.424 68.868 -0.035 0.000 2.303 359 T HN 0.411 nan 8.240 nan 0.000 0.398 360 S N 1.211 116.907 115.700 -0.007 0.000 2.843 360 S HA 0.650 5.120 4.470 -0.000 0.000 0.249 360 S C 0.571 175.173 174.600 0.003 0.000 1.047 360 S CA -0.096 58.105 58.200 0.003 0.000 1.042 360 S CB 0.659 63.863 63.200 0.007 0.000 0.936 360 S HN 1.326 nan 8.310 nan 0.000 0.531 361 G N 1.517 110.310 108.800 -0.012 0.000 2.600 361 G HA2 0.690 4.650 3.960 -0.000 0.000 0.293 361 G HA3 0.690 4.650 3.960 -0.000 0.000 0.293 361 G C -1.728 173.146 174.900 -0.044 0.000 1.408 361 G CA -0.774 44.316 45.100 -0.018 0.000 0.782 361 G HN 0.343 nan 8.290 nan 0.000 0.482 362 I N -2.412 118.117 120.570 -0.067 0.000 2.769 362 I HA 0.826 4.996 4.170 -0.000 0.000 0.298 362 I C -0.697 175.315 176.117 -0.175 0.000 1.128 362 I CA -1.270 59.967 61.300 -0.105 0.000 1.031 362 I CB 2.642 40.585 38.000 -0.095 0.000 1.235 362 I HN 0.555 nan 8.210 nan 0.000 0.423 363 R N 3.702 124.084 120.500 -0.197 0.000 2.460 363 R HA 0.809 5.149 4.340 -0.000 0.000 0.303 363 R C -1.735 174.331 176.300 -0.389 0.000 0.968 363 R CA -0.567 55.364 56.100 -0.282 0.000 0.889 363 R CB 2.000 32.188 30.300 -0.187 0.000 1.123 363 R HN 0.683 nan 8.270 nan 0.000 0.455 364 V N 2.863 122.366 119.914 -0.685 0.000 2.588 364 V HA 0.664 4.784 4.120 -0.000 0.000 0.304 364 V C 0.122 175.822 176.094 -0.657 0.000 1.042 364 V CA -0.701 61.149 62.300 -0.752 0.000 0.877 364 V CB 1.864 32.966 31.823 -1.201 0.000 0.996 364 V HN 0.963 nan 8.190 nan 0.000 0.425 365 G N 1.104 109.705 108.800 -0.331 0.000 2.571 365 G HA2 0.557 4.517 3.960 -0.000 0.000 0.304 365 G HA3 0.557 4.517 3.960 -0.000 0.000 0.304 365 G C 0.318 175.170 174.900 -0.081 0.000 1.314 365 G CA 0.197 45.193 45.100 -0.173 0.000 0.975 365 G HN 0.758 nan 8.290 nan 0.000 0.485 366 T N -1.233 113.317 114.554 -0.006 0.000 3.069 366 T HA 0.244 4.594 4.350 -0.000 0.000 0.252 366 T C -0.996 173.702 174.700 -0.005 0.000 1.053 366 T CA -0.227 61.872 62.100 -0.001 0.000 0.964 366 T CB 0.407 69.294 68.868 0.032 0.000 1.005 366 T HN 0.226 nan 8.240 nan 0.000 0.532 367 P HA -0.031 nan 4.420 nan 0.000 0.216 367 P C 1.854 179.186 177.300 0.053 0.000 1.153 367 P CA 1.605 64.722 63.100 0.027 0.000 0.858 367 P CB -0.225 31.485 31.700 0.017 0.000 0.789 368 A N -0.022 122.745 122.820 -0.087 0.000 1.855 368 A HA -0.170 4.150 4.320 -0.000 0.000 0.215 368 A C 2.185 179.747 177.584 -0.035 0.000 1.191 368 A CA 1.864 53.773 52.037 -0.213 0.000 0.613 368 A CB -1.751 16.994 19.000 -0.425 0.000 0.829 368 A HN 0.298 nan 8.150 nan 0.000 0.442 369 I N -2.565 117.913 120.570 -0.153 0.000 2.361 369 I HA -0.151 4.019 4.170 -0.000 0.000 0.251 369 I C 2.052 178.079 176.117 -0.150 0.000 1.133 369 I CA 2.083 63.143 61.300 -0.401 0.000 1.413 369 I CB -1.091 36.492 38.000 -0.695 0.000 1.073 369 I HN 0.134 nan 8.210 nan 0.000 0.424 370 T N 1.079 115.654 114.554 0.034 0.000 2.777 370 T HA -0.149 4.201 4.350 -0.000 0.000 0.266 370 T C 1.967 176.854 174.700 0.311 0.000 1.040 370 T CA 1.799 64.003 62.100 0.173 0.000 1.141 370 T CB -0.353 68.583 68.868 0.114 0.000 0.868 370 T HN 0.423 nan 8.240 nan 0.000 0.444 371 R N 1.154 121.874 120.500 0.366 0.000 2.193 371 R HA 0.055 4.395 4.340 -0.000 0.000 0.229 371 R C 2.326 178.693 176.300 0.110 0.000 1.110 371 R CA 1.055 57.246 56.100 0.153 0.000 0.988 371 R CB -0.099 30.231 30.300 0.051 0.000 0.871 371 R HN 0.229 nan 8.270 nan 0.000 0.458 372 R N -1.140 119.450 120.500 0.150 0.000 2.276 372 R HA 0.041 4.381 4.340 -0.000 0.000 0.196 372 R C 0.589 177.044 176.300 0.257 0.000 0.961 372 R CA 1.011 57.183 56.100 0.120 0.000 1.024 372 R CB 0.359 30.691 30.300 0.053 0.000 0.940 372 R HN 0.444 nan 8.270 nan 0.000 0.480 373 G N -0.832 108.133 108.800 0.275 0.000 2.255 373 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.196 373 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.196 373 G C -0.135 174.949 174.900 0.307 0.000 0.998 373 G CA -0.413 44.909 45.100 0.369 0.000 0.656 373 G HN 0.121 nan 8.290 nan 0.000 0.490 374 F N 2.036 121.892 119.950 -0.157 0.000 2.553 374 F HA 0.563 5.090 4.527 -0.000 0.000 0.356 374 F C 1.174 176.925 175.800 -0.082 0.000 1.142 374 F CA 0.255 58.102 58.000 -0.254 0.000 1.322 374 F CB 0.680 39.544 39.000 -0.226 0.000 1.126 374 F HN 0.056 nan 8.300 nan 0.000 0.599 375 K N 1.348 121.770 120.400 0.036 0.000 2.263 375 K HA 0.279 4.599 4.320 -0.000 0.000 0.249 375 K C 0.868 177.466 176.600 -0.003 0.000 1.076 375 K CA -0.827 55.481 56.287 0.036 0.000 0.884 375 K CB 1.445 33.963 32.500 0.030 0.000 1.394 375 K HN 0.318 nan 8.250 nan 0.000 0.476 376 E N 0.783 120.981 120.200 -0.004 0.000 2.086 376 E HA -0.294 4.056 4.350 -0.000 0.000 0.200 376 E C 1.732 178.297 176.600 -0.058 0.000 1.012 376 E CA 2.180 58.568 56.400 -0.020 0.000 0.812 376 E CB -0.292 29.397 29.700 -0.017 0.000 0.743 376 E HN 0.625 nan 8.360 nan 0.000 0.453 377 A N 0.959 123.735 122.820 -0.073 0.000 1.865 377 A HA -0.278 4.042 4.320 -0.000 0.000 0.217 377 A C 2.035 179.509 177.584 -0.184 0.000 1.191 377 A CA 1.976 53.950 52.037 -0.105 0.000 0.623 377 A CB -0.566 18.385 19.000 -0.082 0.000 0.826 377 A HN 0.159 nan 8.150 nan 0.000 0.444 378 E N -0.037 120.009 120.200 -0.257 0.000 2.106 378 E HA 0.038 4.388 4.350 -0.000 0.000 0.192 378 E C 2.201 178.617 176.600 -0.307 0.000 0.984 378 E CA 1.235 57.354 56.400 -0.469 0.000 0.806 378 E CB -0.486 28.628 29.700 -0.975 0.000 0.750 378 E HN 0.581 nan 8.360 nan 0.000 0.458 379 A N 1.093 123.855 122.820 -0.096 0.000 1.902 379 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 379 A C 1.919 179.463 177.584 -0.066 0.000 1.181 379 A CA 1.570 53.623 52.037 0.027 0.000 0.623 379 A CB -0.290 18.752 19.000 0.069 0.000 0.818 379 A HN 0.081 nan 8.150 nan 0.000 0.443 380 K N -0.697 119.634 120.400 -0.115 0.000 2.025 380 K HA -0.162 4.158 4.320 -0.000 0.000 0.207 380 K C 2.145 178.593 176.600 -0.253 0.000 1.049 380 K CA 1.483 57.688 56.287 -0.137 0.000 0.933 380 K CB -0.142 32.290 32.500 -0.113 0.000 0.714 380 K HN 0.689 nan 8.250 nan 0.000 0.438 381 E N 1.030 121.011 120.200 -0.364 0.000 2.110 381 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 381 E C 2.017 177.985 176.600 -1.054 0.000 0.988 381 E CA 0.810 56.836 56.400 -0.623 0.000 0.804 381 E CB 0.022 29.347 29.700 -0.624 0.000 0.745 381 E HN 0.106 nan 8.360 nan 0.000 0.458 382 L N 0.804 121.541 121.223 -0.810 0.000 2.046 382 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 382 L C 2.261 178.990 176.870 -0.234 0.000 1.077 382 L CA 2.241 56.739 54.840 -0.569 0.000 0.747 382 L CB -0.827 41.172 42.059 -0.100 0.000 0.896 382 L HN 0.171 nan 8.230 nan 0.000 0.432 383 A N -0.433 122.296 122.820 -0.152 0.000 1.940 383 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 383 A C 2.340 179.736 177.584 -0.312 0.000 1.176 383 A CA 1.608 53.584 52.037 -0.103 0.000 0.631 383 A CB -1.613 17.379 19.000 -0.012 0.000 0.814 383 A HN 0.555 nan 8.150 nan 0.000 0.446 384 G N -1.211 107.414 108.800 -0.291 0.000 2.421 384 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 384 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 384 G C 1.334 176.214 174.900 -0.034 0.000 1.171 384 G CA 0.980 45.955 45.100 -0.208 0.000 0.775 384 G HN 0.587 nan 8.290 nan 0.000 0.543 385 W N 0.770 122.025 121.300 -0.076 0.000 2.342 385 W HA 0.052 4.712 4.660 -0.000 0.000 0.297 385 W C 2.738 179.214 176.519 -0.071 0.000 1.213 385 W CA 0.620 57.935 57.345 -0.051 0.000 1.251 385 W CB -1.086 28.367 29.460 -0.013 0.000 1.136 385 W HN 0.219 nan 8.180 nan 0.000 0.526 386 M N -0.654 119.021 119.600 0.124 0.000 2.117 386 M HA -0.224 4.256 4.480 -0.000 0.000 0.262 386 M C 2.111 178.348 176.300 -0.105 0.000 1.065 386 M CA 1.745 57.066 55.300 0.036 0.000 1.114 386 M CB -0.958 31.697 32.600 0.091 0.000 1.361 386 M HN -0.132 nan 8.290 nan 0.000 0.408 387 C N 0.523 119.654 119.300 -0.281 0.000 2.435 387 C HA -0.119 4.341 4.460 -0.000 0.000 0.279 387 C C 2.193 177.157 174.990 -0.042 0.000 1.321 387 C CA 0.600 59.439 59.018 -0.298 0.000 1.752 387 C CB -1.092 26.433 27.740 -0.358 0.000 1.959 387 C HN 0.537 nan 8.230 nan 0.000 0.500 388 D N 0.774 121.177 120.400 0.006 0.000 2.117 388 D HA -0.102 4.538 4.640 -0.000 0.000 0.197 388 D C 2.190 178.516 176.300 0.044 0.000 0.987 388 D CA 1.101 55.131 54.000 0.049 0.000 0.829 388 D CB -0.426 40.421 40.800 0.078 0.000 0.961 388 D HN 0.295 nan 8.370 nan 0.000 0.460 389 V N 1.181 121.118 119.914 0.038 0.000 2.307 389 V HA -0.192 3.928 4.120 -0.000 0.000 0.245 389 V C 2.662 178.782 176.094 0.043 0.000 1.045 389 V CA 1.068 63.388 62.300 0.032 0.000 1.024 389 V CB -0.455 31.386 31.823 0.029 0.000 0.651 389 V HN 0.185 nan 8.190 nan 0.000 0.449 390 L N -0.214 121.034 121.223 0.042 0.000 2.131 390 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 390 L C 2.341 179.310 176.870 0.165 0.000 1.092 390 L CA 1.409 56.306 54.840 0.095 0.000 0.759 390 L CB -0.755 41.331 42.059 0.044 0.000 0.903 390 L HN 0.356 nan 8.230 nan 0.000 0.435 391 D N -0.165 120.332 120.400 0.162 0.000 2.097 391 D HA -0.095 4.545 4.640 -0.000 0.000 0.197 391 D C 1.138 177.486 176.300 0.080 0.000 0.984 391 D CA 1.210 55.293 54.000 0.139 0.000 0.826 391 D CB 0.044 40.911 40.800 0.111 0.000 0.973 391 D HN 0.165 nan 8.370 nan 0.000 0.460 392 S N 0.273 116.009 115.700 0.060 0.000 2.312 392 S HA 0.269 4.739 4.470 -0.000 0.000 0.211 392 S C 1.260 175.880 174.600 0.035 0.000 1.315 392 S CA -0.336 57.888 58.200 0.039 0.000 1.267 392 S CB 0.345 63.562 63.200 0.028 0.000 1.072 392 S HN 0.155 nan 8.310 nan 0.000 0.490 393 I N 1.710 122.306 120.570 0.043 0.000 2.657 393 I HA -0.199 3.971 4.170 -0.000 0.000 0.261 393 I C 1.194 177.325 176.117 0.023 0.000 1.212 393 I CA 1.256 62.577 61.300 0.036 0.000 1.453 393 I CB 0.040 38.067 38.000 0.044 0.000 1.092 393 I HN 0.473 nan 8.210 nan 0.000 0.452 394 N N -0.507 118.206 118.700 0.021 0.000 2.205 394 N HA -0.011 4.729 4.740 -0.000 0.000 0.201 394 N C -0.164 175.352 175.510 0.010 0.000 1.128 394 N CA -0.167 52.892 53.050 0.015 0.000 0.867 394 N CB 0.410 38.906 38.487 0.015 0.000 0.996 394 N HN 0.129 nan 8.380 nan 0.000 0.503 395 D N 1.172 121.578 120.400 0.010 0.000 2.411 395 D HA 0.036 4.676 4.640 -0.000 0.000 0.225 395 D C 0.703 177.003 176.300 -0.000 0.000 1.156 395 D CA -0.004 53.999 54.000 0.005 0.000 0.874 395 D CB 1.180 41.983 40.800 0.006 0.000 1.034 395 D HN -0.035 nan 8.370 nan 0.000 0.502 396 E N 2.681 122.880 120.200 -0.002 0.000 2.160 396 E HA -0.149 4.201 4.350 -0.000 0.000 0.195 396 E C 1.751 178.343 176.600 -0.013 0.000 0.991 396 E CA 1.192 57.588 56.400 -0.006 0.000 0.810 396 E CB 0.015 29.713 29.700 -0.005 0.000 0.742 396 E HN 0.593 nan 8.360 nan 0.000 0.466 397 A N -0.359 122.454 122.820 -0.012 0.000 1.930 397 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 397 A C 2.424 179.993 177.584 -0.025 0.000 1.175 397 A CA 1.332 53.358 52.037 -0.018 0.000 0.627 397 A CB -0.437 18.556 19.000 -0.013 0.000 0.815 397 A HN 0.171 nan 8.150 nan 0.000 0.443 398 V N 0.252 120.155 119.914 -0.019 0.000 2.307 398 V HA -0.238 3.882 4.120 -0.000 0.000 0.245 398 V C 2.402 178.473 176.094 -0.038 0.000 1.045 398 V CA 1.910 64.196 62.300 -0.023 0.000 1.024 398 V CB -0.641 31.178 31.823 -0.006 0.000 0.651 398 V HN 0.569 nan 8.190 nan 0.000 0.449 399 I N -0.412 120.140 120.570 -0.030 0.000 2.226 399 I HA -0.196 3.974 4.170 -0.000 0.000 0.245 399 I C 2.692 178.775 176.117 -0.057 0.000 1.100 399 I CA 1.338 62.615 61.300 -0.037 0.000 1.374 399 I CB -0.404 37.583 38.000 -0.023 0.000 1.057 399 I HN 0.334 nan 8.210 nan 0.000 0.413 400 E N 0.659 120.830 120.200 -0.049 0.000 2.077 400 E HA -0.248 4.102 4.350 -0.000 0.000 0.193 400 E C 2.233 178.784 176.600 -0.082 0.000 0.989 400 E CA 1.133 57.500 56.400 -0.055 0.000 0.800 400 E CB -0.203 29.473 29.700 -0.039 0.000 0.746 400 E HN 0.404 nan 8.360 nan 0.000 0.452 401 R N 0.407 120.854 120.500 -0.089 0.000 2.073 401 R HA -0.120 4.220 4.340 -0.000 0.000 0.234 401 R C 2.344 178.520 176.300 -0.207 0.000 1.134 401 R CA 1.116 57.143 56.100 -0.122 0.000 0.952 401 R CB -0.106 30.135 30.300 -0.099 0.000 0.850 401 R HN 0.074 nan 8.270 nan 0.000 0.433 402 I N 1.460 121.899 120.570 -0.218 0.000 2.226 402 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 402 I C 2.335 178.261 176.117 -0.318 0.000 1.100 402 I CA 1.439 62.531 61.300 -0.345 0.000 1.374 402 I CB -1.149 36.732 38.000 -0.199 0.000 1.057 402 I HN 0.298 nan 8.210 nan 0.000 0.413 403 K N 1.028 121.320 120.400 -0.181 0.000 2.074 403 K HA -0.186 4.134 4.320 -0.000 0.000 0.209 403 K C 2.149 178.665 176.600 -0.140 0.000 1.048 403 K CA 1.838 58.046 56.287 -0.132 0.000 0.926 403 K CB -0.438 32.012 32.500 -0.083 0.000 0.713 403 K HN 0.359 nan 8.250 nan 0.000 0.444 404 G N 1.038 109.749 108.800 -0.148 0.000 2.422 404 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 404 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 404 G C 1.219 176.015 174.900 -0.174 0.000 1.146 404 G CA 0.884 45.909 45.100 -0.126 0.000 0.769 404 G HN 0.341 nan 8.290 nan 0.000 0.547 405 K N 0.147 120.347 120.400 -0.332 0.000 2.155 405 K HA 0.019 4.339 4.320 -0.000 0.000 0.203 405 K C 2.660 179.018 176.600 -0.403 0.000 1.052 405 K CA 1.211 57.203 56.287 -0.492 0.000 0.948 405 K CB -0.181 31.698 32.500 -1.034 0.000 0.728 405 K HN 0.358 nan 8.250 nan 0.000 0.448 406 V N -0.505 119.222 119.914 -0.311 0.000 2.488 406 V HA -0.094 4.026 4.120 -0.000 0.000 0.246 406 V C 1.835 177.980 176.094 0.086 0.000 1.046 406 V CA 1.127 63.432 62.300 0.009 0.000 1.053 406 V CB -0.533 31.333 31.823 0.072 0.000 0.679 406 V HN 0.191 nan 8.190 nan 0.000 0.458 407 L N 0.551 121.787 121.223 0.021 0.000 2.127 407 L HA -0.146 4.194 4.340 -0.000 0.000 0.211 407 L C 2.686 179.600 176.870 0.073 0.000 1.089 407 L CA 2.180 57.053 54.840 0.056 0.000 0.757 407 L CB -0.708 41.366 42.059 0.024 0.000 0.899 407 L HN 0.513 nan 8.230 nan 0.000 0.434 408 D N 0.473 120.903 120.400 0.051 0.000 2.091 408 D HA -0.175 4.465 4.640 -0.000 0.000 0.199 408 D C 2.209 178.598 176.300 0.148 0.000 0.980 408 D CA 1.024 55.066 54.000 0.070 0.000 0.831 408 D CB 0.236 41.054 40.800 0.029 0.000 0.987 408 D HN 0.328 nan 8.370 nan 0.000 0.460 409 I N 0.394 121.102 120.570 0.229 0.000 2.676 409 I HA -0.221 3.949 4.170 -0.000 0.000 0.259 409 I C 2.203 178.584 176.117 0.439 0.000 1.194 409 I CA 0.471 61.984 61.300 0.356 0.000 1.473 409 I CB 0.082 38.339 38.000 0.428 0.000 1.096 409 I HN 0.126 nan 8.210 nan 0.000 0.443 410 C N 0.726 120.228 119.300 0.336 0.000 2.435 410 C HA -0.028 4.432 4.460 -0.000 0.000 0.279 410 C C 3.010 178.133 174.990 0.222 0.000 1.321 410 C CA 0.949 60.148 59.018 0.302 0.000 1.752 410 C CB -1.156 26.713 27.740 0.216 0.000 1.959 410 C HN 0.662 nan 8.230 nan 0.000 0.500 411 A N 0.372 123.287 122.820 0.159 0.000 2.067 411 A HA -0.112 4.208 4.320 -0.000 0.000 0.219 411 A C 2.180 179.801 177.584 0.062 0.000 1.158 411 A CA 1.052 53.145 52.037 0.093 0.000 0.661 411 A CB -0.371 18.667 19.000 0.064 0.000 0.801 411 A HN 0.694 nan 8.150 nan 0.000 0.452 412 R N -2.282 118.264 120.500 0.077 0.000 2.276 412 R HA 0.078 4.418 4.340 -0.000 0.000 0.196 412 R C -0.553 175.570 176.300 -0.296 0.000 0.961 412 R CA 0.464 56.499 56.100 -0.107 0.000 1.024 412 R CB 0.069 30.278 30.300 -0.151 0.000 0.940 412 R HN 0.579 nan 8.270 nan 0.000 0.480 413 Y N 1.851 122.220 120.300 0.116 0.000 2.658 413 Y HA 0.281 4.831 4.550 -0.000 0.000 0.362 413 Y C -2.193 173.751 175.900 0.073 0.000 1.017 413 Y CA -2.992 55.190 58.100 0.136 0.000 1.134 413 Y CB 0.773 39.416 38.460 0.305 0.000 1.144 413 Y HN -0.055 nan 8.280 nan 0.000 0.655 414 P HA 0.000 nan 4.420 nan 0.000 0.269 414 P C 0.808 178.067 177.300 -0.068 0.000 1.209 414 P CA 0.233 63.346 63.100 0.023 0.000 0.776 414 P CB 2.412 34.117 31.700 0.009 0.000 0.876 415 V N 2.051 121.840 119.914 -0.209 0.000 2.273 415 V HA -0.111 4.009 4.120 -0.000 0.000 0.242 415 V C 0.557 176.295 176.094 -0.593 0.000 1.035 415 V CA 1.636 63.602 62.300 -0.556 0.000 1.013 415 V CB -1.069 30.195 31.823 -0.932 0.000 0.652 415 V HN 0.439 nan 8.190 nan 0.000 0.452 416 Y N 0.237 120.452 120.300 -0.141 0.000 2.478 416 Y HA 0.721 5.271 4.550 -0.000 0.000 0.329 416 Y C 0.387 176.261 175.900 -0.045 0.000 0.967 416 Y CA -0.636 57.416 58.100 -0.081 0.000 1.255 416 Y CB 0.585 39.001 38.460 -0.075 0.000 1.103 416 Y HN 0.165 nan 8.280 nan 0.000 0.497 417 A N 0.000 122.870 122.820 0.084 0.000 2.254 417 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 417 A CA 0.000 52.069 52.037 0.054 0.000 0.836 417 A CB 0.000 19.015 19.000 0.026 0.000 0.831 417 A HN 0.000 nan 8.150 nan 0.000 0.486