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 1xjn_1_D DATA FIRST_RESID 1 DATA SEQUENCE MKLSDLISRW IDVEPSKNAQ IILRDRYFMK DLDGNYLETK WEDVARRVAR DATA SEQUENCE VVATAELLNP SYKKNEKLDR IKEWEDIFFR VLKARLFIPN SPTLFNAGLG DATA SEQUENCE VKHDLLWKPI DQMTLEDYEE IYRSRNHLHM LSACFVVPVG DSIEEIFEAV DATA SEQUENCE KEYALITKVG GGVGSNFSEL RPKGSFVAGT HGKASGPVSF MHVFNSAISV DATA SEQUENCE VKXXXXXXXA LMGILNINHP DIEEFIDAKK XXXXXXVLNF FNLSVGFPMD DATA SEQUENCE KKEILKLYEE DGELELSHPR STIRKKVKIR ELFRKIATNA WKSGDPGLAF DATA SEQUENCE LGEMNKYYPL YPHRKINSTN PCGEIGLSDY EACNLGSIDV AKFYNNGFVD DATA SEQUENCE LEALQELVQI AVRFLDNVID VNVFPIDKIT KAVKESRRLG LGIMGFADLL DATA SEQUENCE YKLEIPYNSQ EARDFAANLM AFIALHAHRT SYELGKEKGN FPLLEISRYR DATA SEQUENCE TEDNFVPFAM GMSNYDDEIR EVMKMTKEFR RNVALLTIAP TGSISNIADT DATA SEQUENCE SSGLEPNFLL AYTRFXXXXX XXXXPLLYVN QVLREKLNPE ILXXXEKELI DATA SEQUENCE EKGSLKDIPD VPEKIKKVFV VALDIDPMDH LLMQDAFQRY VDNNISKTIN DATA SEQUENCE MPQSATVDDV LNVYLEALRT NVRGITVYRD GS 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 0.000 176.324 176.300 0.040 0.000 1.140 1 M CA 0.000 55.314 55.300 0.024 0.000 0.988 1 M CB 0.000 32.600 32.600 -0.001 0.000 1.302 2 K N 0.814 121.238 120.400 0.040 0.000 2.168 2 K HA 0.284 4.605 4.320 0.001 0.000 0.258 2 K C 0.707 177.338 176.600 0.052 0.000 1.010 2 K CA -0.530 55.788 56.287 0.051 0.000 0.929 2 K CB 1.227 33.752 32.500 0.042 0.000 0.998 2 K HN 0.607 nan 8.250 nan 0.000 0.479 3 L N 2.615 123.885 121.223 0.077 0.000 2.013 3 L HA -0.289 4.052 4.340 0.001 0.000 0.212 3 L C 2.351 179.254 176.870 0.054 0.000 1.073 3 L CA 2.299 57.190 54.840 0.084 0.000 0.753 3 L CB -0.874 41.266 42.059 0.135 0.000 0.890 3 L HN 0.900 nan 8.230 nan 0.000 0.432 4 S N -1.213 114.517 115.700 0.052 0.000 2.389 4 S HA -0.303 4.168 4.470 0.001 0.000 0.231 4 S C 1.768 176.388 174.600 0.033 0.000 1.052 4 S CA 1.684 59.909 58.200 0.042 0.000 1.053 4 S CB -1.074 62.144 63.200 0.031 0.000 0.886 4 S HN 0.596 nan 8.310 nan 0.000 0.456 5 D N 1.426 121.840 120.400 0.024 0.000 2.084 5 D HA -0.016 4.624 4.640 0.001 0.000 0.196 5 D C 2.003 178.308 176.300 0.008 0.000 0.985 5 D CA 1.077 55.084 54.000 0.012 0.000 0.826 5 D CB -0.624 40.179 40.800 0.006 0.000 0.978 5 D HN 0.345 nan 8.370 nan 0.000 0.456 6 L N 1.431 122.654 121.223 0.000 0.000 2.081 6 L HA -0.141 4.199 4.340 0.001 0.000 0.212 6 L C 2.166 179.084 176.870 0.080 0.000 1.080 6 L CA 1.216 56.057 54.840 0.002 0.000 0.754 6 L CB -0.704 41.268 42.059 -0.145 0.000 0.893 6 L HN 0.034 nan 8.230 nan 0.000 0.433 7 I N -1.472 119.132 120.570 0.057 0.000 2.179 7 I HA -0.309 3.861 4.170 0.001 0.000 0.242 7 I C 2.374 178.548 176.117 0.094 0.000 1.088 7 I CA 1.330 62.686 61.300 0.093 0.000 1.357 7 I CB -0.555 37.493 38.000 0.081 0.000 1.051 7 I HN 0.176 nan 8.210 nan 0.000 0.409 8 S N 0.379 116.111 115.700 0.053 0.000 2.374 8 S HA -0.260 4.211 4.470 0.001 0.000 0.227 8 S C 2.076 176.668 174.600 -0.012 0.000 1.037 8 S CA 1.437 59.653 58.200 0.026 0.000 1.024 8 S CB -0.461 62.745 63.200 0.010 0.000 0.861 8 S HN 0.375 nan 8.310 nan 0.000 0.456 9 R N -0.976 119.499 120.500 -0.041 0.000 2.152 9 R HA -0.114 4.226 4.340 0.001 0.000 0.232 9 R C 1.297 177.348 176.300 -0.416 0.000 1.117 9 R CA 1.396 57.364 56.100 -0.220 0.000 0.981 9 R CB -0.064 30.088 30.300 -0.247 0.000 0.870 9 R HN 0.517 nan 8.270 nan 0.000 0.451 10 W N -1.315 119.965 121.300 -0.035 0.000 2.873 10 W HA 0.256 4.916 4.660 0.000 0.000 0.282 10 W C 1.563 178.080 176.519 -0.003 0.000 1.118 10 W CA -0.637 56.692 57.345 -0.026 0.000 1.480 10 W CB 0.121 29.553 29.460 -0.047 0.000 0.954 10 W HN -0.069 nan 8.180 nan 0.000 0.591 11 I N 0.912 121.599 120.570 0.195 0.000 2.423 11 I HA -0.266 3.905 4.170 0.001 0.000 0.254 11 I C 0.805 176.992 176.117 0.117 0.000 1.151 11 I CA 1.671 63.053 61.300 0.137 0.000 1.421 11 I CB 0.132 38.185 38.000 0.089 0.000 1.079 11 I HN -0.106 nan 8.210 nan 0.000 0.431 12 D N -0.038 120.411 120.400 0.081 0.000 2.431 12 D HA 0.147 4.788 4.640 0.001 0.000 0.213 12 D C 0.207 176.536 176.300 0.049 0.000 1.130 12 D CA 0.101 54.140 54.000 0.065 0.000 0.834 12 D CB 0.613 41.435 40.800 0.037 0.000 0.985 12 D HN 0.059 nan 8.370 nan 0.000 0.504 13 V N 2.883 122.832 119.914 0.058 0.000 2.409 13 V HA -0.041 4.080 4.120 0.001 0.000 0.270 13 V C 0.733 176.887 176.094 0.099 0.000 1.019 13 V CA 0.056 62.388 62.300 0.053 0.000 1.066 13 V CB 0.187 32.046 31.823 0.059 0.000 1.021 13 V HN -0.062 nan 8.190 nan 0.000 0.476 14 E N 6.686 126.925 120.200 0.065 0.000 2.415 14 E HA 0.194 4.544 4.350 0.001 0.000 0.262 14 E C -2.052 174.574 176.600 0.045 0.000 1.038 14 E CA -2.226 54.216 56.400 0.069 0.000 0.921 14 E CB 0.054 29.785 29.700 0.053 0.000 0.950 14 E HN 0.443 nan 8.360 nan 0.000 0.438 15 P HA -0.035 nan 4.420 nan 0.000 0.266 15 P C -0.224 177.059 177.300 -0.028 0.000 1.195 15 P CA 0.030 63.100 63.100 -0.050 0.000 0.768 15 P CB 0.426 32.070 31.700 -0.093 0.000 0.838 16 S N 2.466 118.138 115.700 -0.047 0.000 2.572 16 S HA -0.007 4.464 4.470 0.001 0.000 0.262 16 S C 1.125 175.682 174.600 -0.071 0.000 1.375 16 S CA 0.086 58.250 58.200 -0.060 0.000 0.996 16 S CB 0.377 63.528 63.200 -0.081 0.000 0.892 16 S HN 0.354 nan 8.310 nan 0.000 0.562 17 K N 1.339 121.683 120.400 -0.093 0.000 2.103 17 K HA -0.091 4.230 4.320 0.001 0.000 0.204 17 K C 2.034 178.571 176.600 -0.106 0.000 1.052 17 K CA 1.617 57.853 56.287 -0.085 0.000 0.945 17 K CB -0.547 31.898 32.500 -0.091 0.000 0.722 17 K HN 0.687 nan 8.250 nan 0.000 0.443 18 N N 1.034 119.628 118.700 -0.177 0.000 2.166 18 N HA -0.160 4.580 4.740 0.001 0.000 0.186 18 N C 1.817 177.287 175.510 -0.066 0.000 1.019 18 N CA 1.044 53.981 53.050 -0.188 0.000 0.856 18 N CB -0.087 38.109 38.487 -0.485 0.000 0.993 18 N HN 0.164 nan 8.380 nan 0.000 0.426 19 A N 0.909 123.687 122.820 -0.070 0.000 1.929 19 A HA -0.114 4.206 4.320 0.001 0.000 0.216 19 A C 2.079 179.604 177.584 -0.098 0.000 1.176 19 A CA 0.974 52.961 52.037 -0.083 0.000 0.628 19 A CB -0.320 18.601 19.000 -0.131 0.000 0.816 19 A HN 0.229 nan 8.150 nan 0.000 0.444 20 Q N -0.303 119.461 119.800 -0.060 0.000 2.084 20 Q HA -0.105 4.235 4.340 0.001 0.000 0.202 20 Q C 1.955 177.928 176.000 -0.045 0.000 0.978 20 Q CA 1.580 57.371 55.803 -0.019 0.000 0.844 20 Q CB -0.351 28.410 28.738 0.038 0.000 0.898 20 Q HN 0.751 nan 8.270 nan 0.000 0.426 21 I N 0.453 121.003 120.570 -0.033 0.000 2.163 21 I HA -0.324 3.847 4.170 0.001 0.000 0.243 21 I C 2.150 178.261 176.117 -0.010 0.000 1.085 21 I CA 1.263 62.554 61.300 -0.015 0.000 1.347 21 I CB -0.393 37.600 38.000 -0.010 0.000 1.044 21 I HN 0.213 nan 8.210 nan 0.000 0.408 22 I N 0.502 121.070 120.570 -0.004 0.000 2.163 22 I HA -0.317 3.853 4.170 0.001 0.000 0.243 22 I C 2.508 178.663 176.117 0.064 0.000 1.085 22 I CA 1.553 62.885 61.300 0.053 0.000 1.347 22 I CB -0.380 37.650 38.000 0.050 0.000 1.044 22 I HN 0.200 nan 8.210 nan 0.000 0.408 23 L N -0.117 121.022 121.223 -0.139 0.000 1.955 23 L HA -0.234 4.107 4.340 0.001 0.000 0.213 23 L C 2.833 179.320 176.870 -0.638 0.000 1.072 23 L CA 1.351 55.938 54.840 -0.421 0.000 0.755 23 L CB -0.732 40.892 42.059 -0.725 0.000 0.888 23 L HN 0.167 nan 8.230 nan 0.000 0.432 24 R N 0.260 120.396 120.500 -0.606 0.000 2.134 24 R HA -0.240 4.100 4.340 0.001 0.000 0.248 24 R C 1.884 178.254 176.300 0.116 0.000 1.143 24 R CA 2.481 58.498 56.100 -0.138 0.000 0.957 24 R CB -0.705 29.599 30.300 0.007 0.000 0.867 24 R HN 0.458 nan 8.270 nan 0.000 0.441 25 D N -0.900 119.547 120.400 0.078 0.000 2.149 25 D HA -0.114 4.526 4.640 0.001 0.000 0.201 25 D C 1.515 177.874 176.300 0.099 0.000 0.972 25 D CA 1.357 55.427 54.000 0.117 0.000 0.835 25 D CB 0.035 40.889 40.800 0.090 0.000 0.966 25 D HN 0.474 nan 8.370 nan 0.000 0.476 26 R N -1.946 118.614 120.500 0.101 0.000 2.539 26 R HA 0.218 4.558 4.340 0.001 0.000 0.342 26 R C 0.720 177.023 176.300 0.006 0.000 0.941 26 R CA -0.068 56.023 56.100 -0.014 0.000 1.146 26 R CB 0.044 30.265 30.300 -0.132 0.000 1.541 26 R HN 0.159 nan 8.270 nan 0.000 0.525 27 Y N 0.073 120.495 120.300 0.203 0.000 2.607 27 Y HA 0.337 4.888 4.550 0.001 0.000 0.276 27 Y C 0.310 176.429 175.900 0.364 0.000 1.117 27 Y CA -0.736 57.547 58.100 0.305 0.000 1.273 27 Y CB 0.451 39.017 38.460 0.177 0.000 1.282 27 Y HN -0.203 nan 8.280 nan 0.000 0.514 28 F N 2.272 122.480 119.950 0.430 0.000 2.557 28 F HA 0.005 4.532 4.527 0.001 0.000 0.384 28 F C 0.648 176.639 175.800 0.319 0.000 1.057 28 F CA -0.574 57.636 58.000 0.350 0.000 1.169 28 F CB -0.408 38.780 39.000 0.313 0.000 1.070 28 F HN -0.014 nan 8.300 nan 0.000 0.554 29 M N 5.109 124.997 119.600 0.481 0.000 2.238 29 M HA 0.111 4.592 4.480 0.001 0.000 0.350 29 M C -0.257 176.161 176.300 0.197 0.000 1.321 29 M CA 0.394 55.881 55.300 0.313 0.000 1.097 29 M CB 0.231 33.039 32.600 0.345 0.000 1.713 29 M HN 0.537 nan 8.290 nan 0.000 0.455 30 K N 3.007 123.464 120.400 0.095 0.000 2.166 30 K HA 0.325 4.646 4.320 0.001 0.000 0.245 30 K C -0.763 175.829 176.600 -0.014 0.000 0.967 30 K CA -0.957 55.313 56.287 -0.029 0.000 0.863 30 K CB 1.203 33.622 32.500 -0.135 0.000 1.107 30 K HN 0.664 nan 8.250 nan 0.000 0.436 31 D N 1.550 121.929 120.400 -0.035 0.000 2.294 31 D HA 0.074 4.714 4.640 0.001 0.000 0.250 31 D C 0.282 176.590 176.300 0.012 0.000 1.058 31 D CA -0.619 53.404 54.000 0.039 0.000 0.950 31 D CB 0.849 41.704 40.800 0.092 0.000 1.158 31 D HN 0.451 nan 8.370 nan 0.000 0.453 32 L N -0.582 120.666 121.223 0.041 0.000 2.704 32 L HA 0.152 4.493 4.340 0.001 0.000 0.279 32 L C -0.571 176.300 176.870 0.003 0.000 1.147 32 L CA 0.135 54.985 54.840 0.016 0.000 0.994 32 L CB -0.842 41.234 42.059 0.028 0.000 1.332 32 L HN 0.501 nan 8.230 nan 0.000 0.471 33 D N 2.709 123.096 120.400 -0.023 0.000 2.700 33 D HA -0.176 4.465 4.640 0.001 0.000 0.230 33 D C 1.613 177.892 176.300 -0.036 0.000 1.098 33 D CA 1.847 55.831 54.000 -0.026 0.000 1.871 33 D CB -1.239 39.556 40.800 -0.009 0.000 1.339 33 D HN 0.699 nan 8.370 nan 0.000 0.612 34 G N 0.273 109.060 108.800 -0.022 0.000 2.498 34 G HA2 -0.038 3.923 3.960 0.001 0.000 0.219 34 G HA3 -0.038 3.923 3.960 0.001 0.000 0.219 34 G C 0.833 175.703 174.900 -0.051 0.000 1.119 34 G CA 1.669 46.757 45.100 -0.020 0.000 0.766 34 G HN 0.476 nan 8.290 nan 0.000 0.552 35 N N -1.614 117.023 118.700 -0.104 0.000 1.327 35 N HA -0.189 4.551 4.740 0.001 0.000 0.169 35 N C -0.382 175.004 175.510 -0.207 0.000 0.889 35 N CA 0.543 53.448 53.050 -0.241 0.000 1.043 35 N CB -1.152 37.143 38.487 -0.319 0.000 1.357 35 N HN 0.189 nan 8.380 nan 0.000 0.510 36 Y N 1.817 122.105 120.300 -0.019 0.000 2.677 36 Y HA 0.101 4.651 4.550 0.001 0.000 0.335 36 Y C 1.617 177.421 175.900 -0.160 0.000 1.162 36 Y CA 0.098 58.165 58.100 -0.054 0.000 1.483 36 Y CB -0.022 38.412 38.460 -0.043 0.000 1.209 36 Y HN 0.292 nan 8.280 nan 0.000 0.528 37 L N 2.229 123.406 121.223 -0.076 0.000 2.529 37 L HA 0.151 4.491 4.340 0.001 0.000 0.223 37 L C 0.215 176.746 176.870 -0.565 0.000 1.113 37 L CA 0.623 55.245 54.840 -0.363 0.000 0.861 37 L CB 0.075 41.889 42.059 -0.409 0.000 1.012 37 L HN 0.578 nan 8.230 nan 0.000 0.461 38 E N -0.549 119.485 120.200 -0.277 0.000 2.246 38 E HA 0.230 4.580 4.350 0.001 0.000 0.266 38 E C -0.006 176.193 176.600 -0.667 0.000 0.880 38 E CA -0.020 56.125 56.400 -0.424 0.000 0.762 38 E CB 1.795 31.437 29.700 -0.097 0.000 1.180 38 E HN -0.005 nan 8.360 nan 0.000 0.416 39 T N -0.704 113.347 114.554 -0.838 0.000 3.004 39 T HA 0.274 4.625 4.350 0.001 0.000 0.266 39 T C 0.316 174.407 174.700 -1.015 0.000 0.986 39 T CA -0.236 61.308 62.100 -0.928 0.000 0.902 39 T CB 0.406 69.018 68.868 -0.426 0.000 1.118 39 T HN 0.128 nan 8.240 nan 0.000 0.522 40 K N 0.237 120.133 120.400 -0.840 0.000 2.464 40 K HA 0.276 4.597 4.320 0.001 0.000 0.253 40 K C -0.061 176.620 176.600 0.134 0.000 0.933 40 K CA -1.018 55.144 56.287 -0.208 0.000 0.801 40 K CB 2.087 34.556 32.500 -0.052 0.000 1.271 40 K HN 0.100 nan 8.250 nan 0.000 0.430 41 W N 4.532 126.010 121.300 0.296 0.000 2.290 41 W HA -0.347 4.314 4.660 0.001 0.000 0.311 41 W C 1.394 178.046 176.519 0.222 0.000 1.238 41 W CA 2.799 60.323 57.345 0.298 0.000 1.255 41 W CB 0.296 29.858 29.460 0.170 0.000 1.145 41 W HN 0.911 nan 8.180 nan 0.000 0.506 42 E N 0.023 120.247 120.200 0.040 0.000 2.171 42 E HA -0.288 4.062 4.350 0.001 0.000 0.197 42 E C 1.483 178.166 176.600 0.137 0.000 0.997 42 E CA 2.020 58.444 56.400 0.039 0.000 0.810 42 E CB -0.750 29.069 29.700 0.198 0.000 0.738 42 E HN 0.186 nan 8.360 nan 0.000 0.467 43 D N 0.881 121.331 120.400 0.084 0.000 2.097 43 D HA -0.104 4.536 4.640 0.001 0.000 0.197 43 D C 2.273 178.755 176.300 0.303 0.000 0.984 43 D CA 1.372 55.489 54.000 0.194 0.000 0.826 43 D CB -0.212 40.552 40.800 -0.060 0.000 0.973 43 D HN 0.167 nan 8.370 nan 0.000 0.460 44 V N 1.743 121.729 119.914 0.120 0.000 2.343 44 V HA -0.226 3.895 4.120 0.001 0.000 0.247 44 V C 2.571 178.575 176.094 -0.151 0.000 1.051 44 V CA 1.818 64.141 62.300 0.039 0.000 1.036 44 V CB -0.828 31.007 31.823 0.019 0.000 0.654 44 V HN 0.175 nan 8.190 nan 0.000 0.451 45 A N 0.060 122.646 122.820 -0.390 0.000 1.969 45 A HA -0.214 4.106 4.320 0.001 0.000 0.218 45 A C 2.315 180.065 177.584 0.276 0.000 1.169 45 A CA 1.967 53.858 52.037 -0.243 0.000 0.635 45 A CB -0.441 18.246 19.000 -0.522 0.000 0.810 45 A HN 0.489 nan 8.150 nan 0.000 0.445 46 R N -0.048 120.681 120.500 0.381 0.000 2.057 46 R HA -0.057 4.284 4.340 0.001 0.000 0.229 46 R C 2.379 178.762 176.300 0.139 0.000 1.136 46 R CA 1.748 58.022 56.100 0.290 0.000 0.952 46 R CB -0.464 29.955 30.300 0.198 0.000 0.848 46 R HN 0.515 nan 8.270 nan 0.000 0.430 47 R N -0.230 120.311 120.500 0.068 0.000 2.083 47 R HA -0.117 4.223 4.340 0.001 0.000 0.237 47 R C 1.887 178.198 176.300 0.019 0.000 1.137 47 R CA 2.049 58.079 56.100 -0.117 0.000 0.951 47 R CB -0.467 29.749 30.300 -0.140 0.000 0.851 47 R HN 0.197 nan 8.270 nan 0.000 0.434 48 V N 1.115 121.090 119.914 0.101 0.000 2.358 48 V HA -0.184 3.937 4.120 0.001 0.000 0.246 48 V C 2.546 178.770 176.094 0.216 0.000 1.047 48 V CA 1.841 64.231 62.300 0.150 0.000 1.035 48 V CB -0.694 31.233 31.823 0.174 0.000 0.658 48 V HN 0.604 nan 8.190 nan 0.000 0.452 49 A N 0.234 123.239 122.820 0.309 0.000 1.883 49 A HA -0.290 4.030 4.320 0.001 0.000 0.217 49 A C 2.366 180.184 177.584 0.389 0.000 1.186 49 A CA 2.309 54.623 52.037 0.461 0.000 0.624 49 A CB -0.589 18.738 19.000 0.544 0.000 0.822 49 A HN 0.519 nan 8.150 nan 0.000 0.444 50 R N -0.436 120.220 120.500 0.260 0.000 2.080 50 R HA -0.117 4.223 4.340 0.001 0.000 0.236 50 R C 1.952 178.387 176.300 0.225 0.000 1.137 50 R CA 2.073 58.315 56.100 0.235 0.000 0.943 50 R CB -0.619 29.745 30.300 0.106 0.000 0.846 50 R HN 0.254 nan 8.270 nan 0.000 0.431 51 V N 0.261 120.259 119.914 0.141 0.000 2.287 51 V HA -0.234 3.887 4.120 0.001 0.000 0.248 51 V C 2.343 178.499 176.094 0.103 0.000 1.053 51 V CA 1.822 64.201 62.300 0.131 0.000 1.027 51 V CB -0.305 31.594 31.823 0.126 0.000 0.646 51 V HN 0.253 nan 8.190 nan 0.000 0.447 52 V N 0.119 120.047 119.914 0.023 0.000 2.548 52 V HA -0.153 3.967 4.120 0.001 0.000 0.249 52 V C 2.579 178.697 176.094 0.041 0.000 1.055 52 V CA 1.693 63.888 62.300 -0.174 0.000 1.065 52 V CB -0.873 30.462 31.823 -0.812 0.000 0.681 52 V HN 0.556 nan 8.190 nan 0.000 0.462 53 A N 0.197 123.184 122.820 0.278 0.000 2.066 53 A HA -0.166 4.154 4.320 0.001 0.000 0.218 53 A C 2.424 180.062 177.584 0.089 0.000 1.157 53 A CA 1.823 54.050 52.037 0.316 0.000 0.670 53 A CB -0.721 18.461 19.000 0.303 0.000 0.804 53 A HN 0.575 nan 8.150 nan 0.000 0.453 54 T N -2.009 112.612 114.554 0.111 0.000 3.051 54 T HA 0.128 4.478 4.350 0.001 0.000 0.269 54 T C 1.707 176.424 174.700 0.028 0.000 1.127 54 T CA 1.386 63.532 62.100 0.077 0.000 1.107 54 T CB -0.445 68.585 68.868 0.271 0.000 0.898 54 T HN 0.512 nan 8.240 nan 0.000 0.517 55 A N 1.527 124.367 122.820 0.032 0.000 2.076 55 A HA -0.060 4.260 4.320 0.001 0.000 0.220 55 A C 2.284 179.826 177.584 -0.069 0.000 1.160 55 A CA 1.315 53.343 52.037 -0.015 0.000 0.653 55 A CB -0.464 18.520 19.000 -0.027 0.000 0.801 55 A HN 0.548 nan 8.150 nan 0.000 0.455 56 E N 0.060 120.233 120.200 -0.046 0.000 2.338 56 E HA -0.084 4.266 4.350 0.001 0.000 0.197 56 E C 1.766 178.367 176.600 0.002 0.000 1.007 56 E CA 0.351 56.751 56.400 0.001 0.000 0.849 56 E CB -0.405 29.377 29.700 0.137 0.000 0.774 56 E HN 0.724 nan 8.360 nan 0.000 0.506 57 L N 0.099 121.271 121.223 -0.085 0.000 2.129 57 L HA -0.175 4.165 4.340 0.001 0.000 0.212 57 L C 1.978 178.763 176.870 -0.141 0.000 1.087 57 L CA 0.950 55.719 54.840 -0.118 0.000 0.757 57 L CB -0.323 41.607 42.059 -0.214 0.000 0.896 57 L HN 0.120 nan 8.230 nan 0.000 0.434 58 L N -0.641 120.478 121.223 -0.174 0.000 2.629 58 L HA 0.078 4.419 4.340 0.001 0.000 0.230 58 L C 0.562 177.352 176.870 -0.133 0.000 1.151 58 L CA -0.331 54.413 54.840 -0.160 0.000 0.924 58 L CB -0.577 41.386 42.059 -0.160 0.000 1.137 58 L HN 0.171 nan 8.230 nan 0.000 0.457 59 N N 2.535 121.148 118.700 -0.145 0.000 2.401 59 N HA 0.097 4.837 4.740 0.001 0.000 0.255 59 N C -1.690 173.688 175.510 -0.220 0.000 1.110 59 N CA -1.733 51.163 53.050 -0.258 0.000 0.949 59 N CB 1.215 39.385 38.487 -0.529 0.000 1.110 59 N HN -0.045 nan 8.380 nan 0.000 0.490 60 P HA 0.093 nan 4.420 nan 0.000 0.256 60 P C 0.101 177.326 177.300 -0.126 0.000 1.335 60 P CA 0.315 63.344 63.100 -0.119 0.000 0.808 60 P CB 0.462 32.108 31.700 -0.091 0.000 1.305 61 S N -1.816 113.754 115.700 -0.217 0.000 2.554 61 S HA 0.166 4.637 4.470 0.001 0.000 0.227 61 S C 0.361 174.942 174.600 -0.032 0.000 1.050 61 S CA -0.140 57.951 58.200 -0.182 0.000 0.927 61 S CB -0.097 62.934 63.200 -0.281 0.000 0.859 61 S HN 0.043 nan 8.310 nan 0.000 0.494 62 Y N 2.850 123.140 120.300 -0.017 0.000 2.326 62 Y HA 0.547 5.097 4.550 0.000 0.000 0.324 62 Y C 0.847 176.735 175.900 -0.020 0.000 1.291 62 Y CA -1.407 56.684 58.100 -0.015 0.000 1.348 62 Y CB 0.467 38.918 38.460 -0.015 0.000 1.294 62 Y HN -0.115 nan 8.280 nan 0.000 0.525 63 K N 0.627 121.121 120.400 0.157 0.000 2.280 63 K HA 0.403 4.724 4.320 0.001 0.000 0.234 63 K C -0.397 176.235 176.600 0.053 0.000 1.028 63 K CA -1.217 55.114 56.287 0.073 0.000 0.882 63 K CB 1.315 33.841 32.500 0.044 0.000 1.194 63 K HN 0.500 nan 8.250 nan 0.000 0.458 64 K N 1.237 121.654 120.400 0.029 0.000 2.457 64 K HA -0.197 4.123 4.320 0.001 0.000 0.269 64 K C 0.776 177.379 176.600 0.005 0.000 0.969 64 K CA 1.426 57.722 56.287 0.016 0.000 0.921 64 K CB -0.067 32.440 32.500 0.011 0.000 0.940 64 K HN 0.907 nan 8.250 nan 0.000 0.517 65 N N -0.649 118.049 118.700 -0.003 0.000 2.922 65 N HA -0.332 4.408 4.740 0.001 0.000 0.231 65 N C 0.563 176.054 175.510 -0.033 0.000 0.889 65 N CA 2.207 55.249 53.050 -0.014 0.000 1.027 65 N CB -0.820 37.661 38.487 -0.009 0.000 1.059 65 N HN 0.738 nan 8.380 nan 0.000 0.613 66 E N -0.019 120.158 120.200 -0.039 0.000 2.127 66 E HA 0.066 4.416 4.350 0.001 0.000 0.191 66 E C 1.349 177.856 176.600 -0.155 0.000 0.964 66 E CA 0.464 56.812 56.400 -0.087 0.000 0.832 66 E CB 0.002 29.674 29.700 -0.046 0.000 0.790 66 E HN 0.478 nan 8.360 nan 0.000 0.465 67 K N 1.016 121.359 120.400 -0.095 0.000 2.009 67 K HA -0.143 4.177 4.320 0.001 0.000 0.210 67 K C 2.303 178.819 176.600 -0.141 0.000 1.049 67 K CA 0.925 57.149 56.287 -0.104 0.000 0.929 67 K CB -0.208 32.292 32.500 -0.000 0.000 0.714 67 K HN 0.131 nan 8.250 nan 0.000 0.440 68 L N 1.289 122.468 121.223 -0.074 0.000 1.990 68 L HA -0.281 4.059 4.340 0.001 0.000 0.213 68 L C 1.691 178.506 176.870 -0.091 0.000 1.072 68 L CA 1.798 56.616 54.840 -0.036 0.000 0.755 68 L CB -0.431 41.644 42.059 0.027 0.000 0.889 68 L HN 0.285 nan 8.230 nan 0.000 0.432 69 D N -0.894 119.434 120.400 -0.120 0.000 2.219 69 D HA -0.140 4.501 4.640 0.001 0.000 0.205 69 D C 2.289 178.451 176.300 -0.230 0.000 0.970 69 D CA 0.592 54.505 54.000 -0.145 0.000 0.851 69 D CB -0.009 40.711 40.800 -0.133 0.000 0.943 69 D HN 0.150 nan 8.370 nan 0.000 0.488 70 R N 0.459 120.758 120.500 -0.335 0.000 2.062 70 R HA 0.008 4.349 4.340 0.001 0.000 0.231 70 R C 2.520 178.691 176.300 -0.215 0.000 1.136 70 R CA 0.448 56.283 56.100 -0.442 0.000 0.948 70 R CB -1.060 28.631 30.300 -1.014 0.000 0.845 70 R HN 0.318 nan 8.270 nan 0.000 0.430 71 I N 0.969 121.419 120.570 -0.200 0.000 2.127 71 I HA -0.324 3.847 4.170 0.001 0.000 0.241 71 I C 2.224 178.219 176.117 -0.203 0.000 1.075 71 I CA 1.579 62.733 61.300 -0.243 0.000 1.334 71 I CB -0.412 37.205 38.000 -0.638 0.000 1.040 71 I HN 0.110 nan 8.210 nan 0.000 0.405 72 K N 0.655 120.968 120.400 -0.146 0.000 2.113 72 K HA -0.231 4.090 4.320 0.001 0.000 0.208 72 K C 2.060 178.606 176.600 -0.090 0.000 1.047 72 K CA 1.681 57.954 56.287 -0.024 0.000 0.928 72 K CB -0.149 32.361 32.500 0.017 0.000 0.716 72 K HN 0.355 nan 8.250 nan 0.000 0.446 73 E N -0.513 119.570 120.200 -0.195 0.000 2.031 73 E HA -0.187 4.163 4.350 0.001 0.000 0.193 73 E C 1.837 178.205 176.600 -0.387 0.000 0.994 73 E CA 1.456 57.663 56.400 -0.321 0.000 0.800 73 E CB -0.139 29.262 29.700 -0.498 0.000 0.752 73 E HN 0.384 nan 8.360 nan 0.000 0.447 74 W N 1.320 122.438 121.300 -0.302 0.000 2.342 74 W HA -0.172 4.488 4.660 0.000 0.000 0.297 74 W C 2.356 178.484 176.519 -0.652 0.000 1.213 74 W CA 0.959 57.941 57.345 -0.605 0.000 1.251 74 W CB -0.053 29.047 29.460 -0.601 0.000 1.136 74 W HN 0.225 nan 8.180 nan 0.000 0.526 75 E N 0.774 120.943 120.200 -0.051 0.000 2.047 75 E HA -0.273 4.077 4.350 0.001 0.000 0.191 75 E C 1.734 178.447 176.600 0.189 0.000 0.987 75 E CA 1.767 58.251 56.400 0.140 0.000 0.799 75 E CB -0.284 29.531 29.700 0.191 0.000 0.752 75 E HN 0.090 nan 8.360 nan 0.000 0.449 76 D N 0.248 120.700 120.400 0.088 0.000 2.126 76 D HA -0.228 4.412 4.640 0.001 0.000 0.190 76 D C 1.958 178.368 176.300 0.185 0.000 1.001 76 D CA 1.680 55.755 54.000 0.124 0.000 0.841 76 D CB -0.241 40.569 40.800 0.018 0.000 0.949 76 D HN 0.314 nan 8.370 nan 0.000 0.446 77 I N -0.490 120.115 120.570 0.058 0.000 2.252 77 I HA -0.165 4.005 4.170 0.001 0.000 0.245 77 I C 1.731 178.058 176.117 0.349 0.000 1.102 77 I CA 1.003 62.380 61.300 0.127 0.000 1.385 77 I CB -0.385 37.626 38.000 0.017 0.000 1.064 77 I HN -0.055 nan 8.210 nan 0.000 0.414 78 F N 0.535 120.685 119.950 0.334 0.000 2.065 78 F HA -0.274 4.253 4.527 0.001 0.000 0.298 78 F C 2.467 178.461 175.800 0.322 0.000 1.112 78 F CA 1.687 59.909 58.000 0.370 0.000 1.212 78 F CB -2.010 37.269 39.000 0.465 0.000 0.975 78 F HN 0.224 nan 8.300 nan 0.000 0.476 79 F N 1.247 121.427 119.950 0.384 0.000 2.091 79 F HA -0.245 4.283 4.527 0.001 0.000 0.299 79 F C 2.510 178.430 175.800 0.201 0.000 1.103 79 F CA 1.835 59.977 58.000 0.238 0.000 1.228 79 F CB -0.500 38.603 39.000 0.172 0.000 0.984 79 F HN -0.158 nan 8.300 nan 0.000 0.477 80 R N 0.169 120.728 120.500 0.098 0.000 2.062 80 R HA -0.122 4.218 4.340 0.001 0.000 0.231 80 R C 2.400 178.716 176.300 0.026 0.000 1.136 80 R CA 1.985 58.075 56.100 -0.016 0.000 0.948 80 R CB -1.167 29.224 30.300 0.151 0.000 0.845 80 R HN 0.466 nan 8.270 nan 0.000 0.430 81 V N -0.082 119.917 119.914 0.142 0.000 2.407 81 V HA -0.186 3.935 4.120 0.001 0.000 0.248 81 V C 2.066 178.258 176.094 0.165 0.000 1.055 81 V CA 1.600 63.999 62.300 0.165 0.000 1.049 81 V CB -0.662 31.285 31.823 0.207 0.000 0.662 81 V HN 0.207 nan 8.190 nan 0.000 0.455 82 L N 0.114 121.429 121.223 0.153 0.000 2.017 82 L HA -0.172 4.169 4.340 0.001 0.000 0.208 82 L C 2.874 179.902 176.870 0.263 0.000 1.073 82 L CA 2.559 57.504 54.840 0.175 0.000 0.745 82 L CB -0.721 41.394 42.059 0.094 0.000 0.894 82 L HN 0.371 nan 8.230 nan 0.000 0.432 83 K N 0.424 120.804 120.400 -0.034 0.000 2.057 83 K HA -0.160 4.161 4.320 0.001 0.000 0.207 83 K C 2.027 178.788 176.600 0.269 0.000 1.049 83 K CA 1.282 57.607 56.287 0.064 0.000 0.931 83 K CB -0.124 32.111 32.500 -0.443 0.000 0.714 83 K HN 0.261 nan 8.250 nan 0.000 0.440 84 A N 1.062 123.968 122.820 0.144 0.000 2.178 84 A HA -0.080 4.241 4.320 0.001 0.000 0.218 84 A C 0.425 178.084 177.584 0.124 0.000 1.157 84 A CA 1.141 53.283 52.037 0.174 0.000 0.689 84 A CB -0.459 18.631 19.000 0.150 0.000 0.787 84 A HN 0.530 nan 8.150 nan 0.000 0.465 85 R N -2.997 117.591 120.500 0.147 0.000 3.422 85 R HA -0.184 4.157 4.340 0.001 0.000 0.267 85 R C 0.225 176.483 176.300 -0.069 0.000 1.074 85 R CA 0.538 56.640 56.100 0.004 0.000 0.718 85 R CB -1.870 28.330 30.300 -0.165 0.000 1.157 85 R HN 0.393 nan 8.270 nan 0.000 0.440 86 L N -0.798 120.441 121.223 0.027 0.000 2.253 86 L HA 0.255 4.595 4.340 0.001 0.000 0.205 86 L C 0.645 177.629 176.870 0.189 0.000 1.078 86 L CA 1.565 56.446 54.840 0.069 0.000 0.805 86 L CB 0.046 42.178 42.059 0.121 0.000 0.963 86 L HN 0.267 nan 8.230 nan 0.000 0.459 87 F N -0.199 119.749 119.950 -0.003 0.000 2.565 87 F HA 0.664 5.191 4.527 0.001 0.000 0.313 87 F C -1.022 174.719 175.800 -0.099 0.000 1.091 87 F CA -1.103 56.856 58.000 -0.068 0.000 0.915 87 F CB 1.412 40.349 39.000 -0.106 0.000 1.208 87 F HN -0.228 nan 8.300 nan 0.000 0.453 88 I N 6.885 126.924 120.570 -0.885 0.000 2.607 88 I HA 0.390 4.560 4.170 0.001 0.000 0.290 88 I C -2.493 173.025 176.117 -0.997 0.000 1.129 88 I CA -2.042 58.848 61.300 -0.682 0.000 1.042 88 I CB 2.636 40.455 38.000 -0.301 0.000 1.242 88 I HN 0.389 nan 8.210 nan 0.000 0.421 89 P HA 0.143 nan 4.420 nan 0.000 0.276 89 P C -1.070 176.106 177.300 -0.206 0.000 1.252 89 P CA -0.525 62.324 63.100 -0.418 0.000 0.802 89 P CB 0.481 32.177 31.700 -0.006 0.000 1.035 90 N N -0.497 118.136 118.700 -0.111 0.000 2.345 90 N HA -0.048 4.692 4.740 0.001 0.000 0.243 90 N C 0.876 176.338 175.510 -0.080 0.000 1.246 90 N CA -0.444 52.561 53.050 -0.076 0.000 0.863 90 N CB 0.015 38.487 38.487 -0.025 0.000 1.096 90 N HN 0.214 nan 8.380 nan 0.000 0.446 91 S N 2.144 117.780 115.700 -0.107 0.000 2.372 91 S HA -0.115 4.355 4.470 0.001 0.000 0.227 91 S C -0.839 173.474 174.600 -0.478 0.000 1.044 91 S CA 1.442 59.471 58.200 -0.283 0.000 1.050 91 S CB -1.069 61.934 63.200 -0.327 0.000 0.901 91 S HN 0.659 nan 8.310 nan 0.000 0.447 92 P HA -0.102 nan 4.420 nan 0.000 0.217 92 P C 1.453 178.753 177.300 0.001 0.000 1.151 92 P CA 1.421 64.549 63.100 0.047 0.000 0.849 92 P CB -0.384 31.395 31.700 0.131 0.000 0.787 93 T N -0.173 114.373 114.554 -0.014 0.000 2.684 93 T HA -0.134 4.216 4.350 0.001 0.000 0.267 93 T C 1.730 176.450 174.700 0.033 0.000 1.036 93 T CA 1.205 63.316 62.100 0.018 0.000 1.148 93 T CB -0.982 67.943 68.868 0.094 0.000 0.863 93 T HN 0.104 nan 8.240 nan 0.000 0.436 94 L N -0.461 120.772 121.223 0.017 0.000 2.083 94 L HA -0.026 4.315 4.340 0.001 0.000 0.209 94 L C 2.361 179.339 176.870 0.180 0.000 1.083 94 L CA 1.204 56.109 54.840 0.109 0.000 0.752 94 L CB -0.700 41.467 42.059 0.180 0.000 0.899 94 L HN 0.194 nan 8.230 nan 0.000 0.433 95 F N 0.387 120.431 119.950 0.156 0.000 2.128 95 F HA -0.081 4.447 4.527 0.001 0.000 0.295 95 F C 2.234 178.053 175.800 0.032 0.000 1.100 95 F CA 0.939 58.977 58.000 0.063 0.000 1.260 95 F CB -0.602 38.377 39.000 -0.035 0.000 1.009 95 F HN 0.126 nan 8.300 nan 0.000 0.476 96 N N -0.292 118.502 118.700 0.156 0.000 2.250 96 N HA 0.203 4.944 4.740 0.001 0.000 0.190 96 N C 0.412 175.779 175.510 -0.237 0.000 1.116 96 N CA 0.378 53.417 53.050 -0.018 0.000 0.881 96 N CB -0.080 38.371 38.487 -0.060 0.000 1.006 96 N HN 0.020 nan 8.380 nan 0.000 0.491 97 A N 0.516 123.225 122.820 -0.186 0.000 2.537 97 A HA 0.450 4.770 4.320 0.001 0.000 0.260 97 A C 1.404 178.973 177.584 -0.025 0.000 1.082 97 A CA 0.838 52.741 52.037 -0.223 0.000 0.765 97 A CB -0.592 18.380 19.000 -0.047 0.000 1.019 97 A HN 0.450 nan 8.150 nan 0.000 0.507 98 G N 1.666 110.585 108.800 0.198 0.000 2.176 98 G HA2 -0.187 3.773 3.960 0.001 0.000 0.232 98 G HA3 -0.187 3.773 3.960 0.001 0.000 0.232 98 G C 0.153 175.157 174.900 0.172 0.000 0.986 98 G CA 0.021 45.217 45.100 0.159 0.000 0.643 98 G HN 0.798 nan 8.290 nan 0.000 0.522 99 L N 0.641 122.006 121.223 0.235 0.000 2.534 99 L HA 0.417 4.757 4.340 0.001 0.000 0.271 99 L C 1.731 178.694 176.870 0.156 0.000 1.178 99 L CA 1.552 56.498 54.840 0.176 0.000 0.907 99 L CB 0.609 42.728 42.059 0.101 0.000 1.164 99 L HN 0.997 nan 8.230 nan 0.000 0.482 100 G N 2.294 111.147 108.800 0.088 0.000 2.339 100 G HA2 -0.225 3.736 3.960 0.001 0.000 0.209 100 G HA3 -0.225 3.736 3.960 0.001 0.000 0.209 100 G C 0.047 174.953 174.900 0.011 0.000 1.015 100 G CA -0.202 44.917 45.100 0.032 0.000 0.635 100 G HN 0.377 nan 8.290 nan 0.000 0.499 101 V N 2.922 122.848 119.914 0.021 0.000 2.614 101 V HA 0.350 4.471 4.120 0.001 0.000 0.291 101 V C 1.098 177.195 176.094 0.005 0.000 1.049 101 V CA -0.596 61.699 62.300 -0.008 0.000 1.038 101 V CB 1.448 33.254 31.823 -0.028 0.000 0.980 101 V HN 0.338 nan 8.190 nan 0.000 0.481 102 K N 2.931 123.310 120.400 -0.036 0.000 2.524 102 K HA -0.032 4.289 4.320 0.001 0.000 0.279 102 K C 1.069 177.695 176.600 0.044 0.000 0.993 102 K CA -0.061 56.187 56.287 -0.065 0.000 1.030 102 K CB 0.275 32.747 32.500 -0.047 0.000 0.891 102 K HN 0.666 nan 8.250 nan 0.000 0.488 103 H N 1.647 120.777 119.070 0.101 0.000 2.387 103 H HA -0.128 4.428 4.556 0.001 0.000 0.299 103 H C 1.171 176.638 175.328 0.233 0.000 1.090 103 H CA 1.532 57.722 56.048 0.238 0.000 1.332 103 H CB -0.107 29.872 29.762 0.363 0.000 1.386 103 H HN 0.673 nan 8.280 nan 0.000 0.516 104 D N 0.385 120.932 120.400 0.245 0.000 2.338 104 D HA -0.053 4.587 4.640 0.001 0.000 0.239 104 D C 1.439 177.785 176.300 0.076 0.000 1.095 104 D CA 0.190 54.295 54.000 0.174 0.000 0.888 104 D CB -0.540 40.325 40.800 0.108 0.000 0.899 104 D HN 0.344 nan 8.370 nan 0.000 0.525 105 L N -0.969 120.263 121.223 0.015 0.000 2.609 105 L HA 0.205 4.545 4.340 0.001 0.000 0.230 105 L C 2.260 179.035 176.870 -0.157 0.000 1.064 105 L CA -0.105 54.691 54.840 -0.074 0.000 0.873 105 L CB 0.042 42.046 42.059 -0.092 0.000 1.139 105 L HN -0.003 nan 8.230 nan 0.000 0.490 106 L N -0.638 120.412 121.223 -0.289 0.000 2.109 106 L HA -0.109 4.232 4.340 0.001 0.000 0.207 106 L C 1.497 177.936 176.870 -0.720 0.000 1.086 106 L CA 1.371 55.795 54.840 -0.692 0.000 0.760 106 L CB -0.167 41.095 42.059 -1.328 0.000 0.910 106 L HN 0.458 nan 8.230 nan 0.000 0.437 107 W N 0.699 122.006 121.300 0.011 0.000 2.653 107 W HA 0.208 4.868 4.660 0.001 0.000 0.391 107 W C 0.563 177.061 176.519 -0.034 0.000 0.962 107 W CA -0.693 56.644 57.345 -0.014 0.000 1.900 107 W CB -0.083 29.370 29.460 -0.012 0.000 1.176 107 W HN 0.075 nan 8.180 nan 0.000 0.582 108 K N 2.172 122.640 120.400 0.113 0.000 2.237 108 K HA 0.320 4.640 4.320 0.001 0.000 0.270 108 K C -2.345 174.252 176.600 -0.004 0.000 1.015 108 K CA -1.320 54.997 56.287 0.050 0.000 0.949 108 K CB 0.659 33.169 32.500 0.017 0.000 0.976 108 K HN -0.292 nan 8.250 nan 0.000 0.472 109 P HA -0.013 nan 4.420 nan 0.000 0.269 109 P C 0.579 177.849 177.300 -0.051 0.000 1.209 109 P CA -0.260 62.815 63.100 -0.041 0.000 0.776 109 P CB 0.518 32.199 31.700 -0.031 0.000 0.876 110 I N 1.942 122.475 120.570 -0.062 0.000 2.423 110 I HA -0.262 3.908 4.170 0.001 0.000 0.254 110 I C 1.329 177.440 176.117 -0.010 0.000 1.151 110 I CA 1.757 63.041 61.300 -0.028 0.000 1.421 110 I CB -0.087 37.897 38.000 -0.026 0.000 1.079 110 I HN 0.388 nan 8.210 nan 0.000 0.431 111 D N -0.240 120.147 120.400 -0.022 0.000 2.183 111 D HA -0.260 4.380 4.640 0.001 0.000 0.203 111 D C 1.579 177.871 176.300 -0.014 0.000 0.969 111 D CA 0.829 54.821 54.000 -0.013 0.000 0.842 111 D CB -0.520 40.270 40.800 -0.016 0.000 0.957 111 D HN 0.524 nan 8.370 nan 0.000 0.484 112 Q N -0.516 119.269 119.800 -0.024 0.000 2.466 112 Q HA 0.107 4.448 4.340 0.001 0.000 0.210 112 Q C 0.116 176.086 176.000 -0.049 0.000 0.961 112 Q CA -0.200 55.585 55.803 -0.029 0.000 0.953 112 Q CB 0.090 28.813 28.738 -0.025 0.000 1.011 112 Q HN 0.198 nan 8.270 nan 0.000 0.516 113 M N 0.992 120.556 119.600 -0.060 0.000 2.216 113 M HA 0.089 4.570 4.480 0.001 0.000 0.356 113 M C 0.135 176.394 176.300 -0.068 0.000 1.205 113 M CA 0.036 55.257 55.300 -0.132 0.000 1.122 113 M CB 1.104 33.591 32.600 -0.188 0.000 1.571 113 M HN 0.006 nan 8.290 nan 0.000 0.464 114 T N 1.215 115.712 114.554 -0.095 0.000 2.937 114 T HA 0.440 4.790 4.350 0.001 0.000 0.283 114 T C 0.638 175.374 174.700 0.060 0.000 1.012 114 T CA -0.950 61.147 62.100 -0.006 0.000 0.997 114 T CB 0.729 69.590 68.868 -0.012 0.000 1.136 114 T HN 0.635 nan 8.240 nan 0.000 0.551 115 L N 0.772 122.061 121.223 0.110 0.000 2.109 115 L HA 0.086 4.426 4.340 0.001 0.000 0.207 115 L C 2.801 179.743 176.870 0.120 0.000 1.086 115 L CA 2.045 56.986 54.840 0.168 0.000 0.760 115 L CB -0.947 41.171 42.059 0.098 0.000 0.910 115 L HN 0.968 nan 8.230 nan 0.000 0.437 116 E N -0.733 119.500 120.200 0.054 0.000 2.160 116 E HA -0.277 4.073 4.350 0.001 0.000 0.195 116 E C 1.272 177.879 176.600 0.010 0.000 0.991 116 E CA 1.733 58.152 56.400 0.032 0.000 0.810 116 E CB -0.226 29.482 29.700 0.012 0.000 0.742 116 E HN 0.554 nan 8.360 nan 0.000 0.466 117 D N -0.037 120.335 120.400 -0.048 0.000 2.103 117 D HA -0.131 4.510 4.640 0.001 0.000 0.199 117 D C 1.900 178.117 176.300 -0.138 0.000 0.978 117 D CA 1.050 54.968 54.000 -0.137 0.000 0.829 117 D CB -0.674 39.966 40.800 -0.266 0.000 0.981 117 D HN 0.372 nan 8.370 nan 0.000 0.464 118 Y N 1.487 121.799 120.300 0.019 0.000 2.207 118 Y HA -0.171 4.379 4.550 0.001 0.000 0.287 118 Y C 2.452 178.388 175.900 0.060 0.000 1.156 118 Y CA 1.138 59.258 58.100 0.033 0.000 1.182 118 Y CB -0.071 38.405 38.460 0.026 0.000 0.979 118 Y HN 0.030 nan 8.280 nan 0.000 0.521 119 E N -0.428 119.884 120.200 0.186 0.000 2.152 119 E HA -0.163 4.188 4.350 0.001 0.000 0.192 119 E C 2.089 178.774 176.600 0.142 0.000 0.983 119 E CA 0.758 57.256 56.400 0.162 0.000 0.818 119 E CB 0.022 29.786 29.700 0.107 0.000 0.758 119 E HN 0.347 nan 8.360 nan 0.000 0.467 120 E N 0.660 120.904 120.200 0.074 0.000 2.077 120 E HA -0.161 4.190 4.350 0.001 0.000 0.193 120 E C 2.110 178.724 176.600 0.022 0.000 0.989 120 E CA 0.770 57.190 56.400 0.033 0.000 0.800 120 E CB -0.111 29.588 29.700 -0.000 0.000 0.746 120 E HN 0.331 nan 8.360 nan 0.000 0.452 121 I N 0.162 120.751 120.570 0.031 0.000 2.163 121 I HA -0.324 3.847 4.170 0.001 0.000 0.243 121 I C 2.484 178.615 176.117 0.023 0.000 1.085 121 I CA 1.392 62.703 61.300 0.018 0.000 1.347 121 I CB -0.412 37.617 38.000 0.048 0.000 1.044 121 I HN 0.108 nan 8.210 nan 0.000 0.408 122 Y N 1.611 121.904 120.300 -0.012 0.000 2.145 122 Y HA -0.213 4.337 4.550 0.001 0.000 0.286 122 Y C 2.718 178.583 175.900 -0.059 0.000 1.145 122 Y CA 1.590 59.670 58.100 -0.034 0.000 1.148 122 Y CB -0.203 38.260 38.460 0.005 0.000 0.981 122 Y HN -0.059 nan 8.280 nan 0.000 0.507 123 R N -0.410 120.085 120.500 -0.010 0.000 2.148 123 R HA -0.076 4.265 4.340 0.001 0.000 0.227 123 R C 1.731 177.948 176.300 -0.138 0.000 1.103 123 R CA 1.345 57.402 56.100 -0.072 0.000 0.983 123 R CB -0.247 30.072 30.300 0.033 0.000 0.874 123 R HN 0.447 nan 8.270 nan 0.000 0.451 124 S N -0.354 115.268 115.700 -0.130 0.000 2.602 124 S HA 0.204 4.675 4.470 0.001 0.000 0.240 124 S C 0.115 174.624 174.600 -0.152 0.000 0.992 124 S CA -0.641 57.493 58.200 -0.109 0.000 0.971 124 S CB 0.266 63.430 63.200 -0.060 0.000 0.855 124 S HN 0.031 nan 8.310 nan 0.000 0.481 125 R N 3.378 123.709 120.500 -0.282 0.000 2.421 125 R HA 0.246 4.587 4.340 0.001 0.000 0.305 125 R C 0.374 176.553 176.300 -0.203 0.000 1.039 125 R CA -0.026 55.829 56.100 -0.409 0.000 1.003 125 R CB 0.143 29.963 30.300 -0.800 0.000 0.959 125 R HN 0.639 nan 8.270 nan 0.000 0.427 126 N N 1.579 120.234 118.700 -0.075 0.000 2.448 126 N HA -0.020 4.720 4.740 0.001 0.000 0.274 126 N C 0.916 176.437 175.510 0.019 0.000 1.239 126 N CA -0.433 52.625 53.050 0.015 0.000 0.982 126 N CB 0.193 38.705 38.487 0.042 0.000 1.199 126 N HN 0.584 nan 8.380 nan 0.000 0.576 127 H N -0.869 118.209 119.070 0.013 0.000 2.518 127 H HA -0.010 4.547 4.556 0.001 0.000 0.289 127 H C 1.018 176.373 175.328 0.045 0.000 1.051 127 H CA 1.010 57.073 56.048 0.024 0.000 1.280 127 H CB -0.378 29.396 29.762 0.020 0.000 1.380 127 H HN 0.466 nan 8.280 nan 0.000 0.566 128 L N 0.752 121.753 121.223 -0.371 0.000 2.591 128 L HA 0.036 4.376 4.340 0.001 0.000 0.228 128 L C 1.357 178.198 176.870 -0.048 0.000 1.133 128 L CA 0.032 54.744 54.840 -0.214 0.000 0.880 128 L CB -0.380 41.513 42.059 -0.276 0.000 1.033 128 L HN 0.265 nan 8.230 nan 0.000 0.450 129 H N 2.114 121.119 119.070 -0.107 0.000 3.680 129 H HA 0.108 4.665 4.556 0.001 0.000 0.204 129 H C -0.318 174.952 175.328 -0.096 0.000 1.738 129 H CA 0.083 56.083 56.048 -0.080 0.000 1.409 129 H CB 0.191 29.897 29.762 -0.092 0.000 1.730 129 H HN 0.058 nan 8.280 nan 0.000 0.684 130 M N 3.628 123.179 119.600 -0.083 0.000 2.114 130 M HA 0.135 4.615 4.480 0.001 0.000 0.332 130 M C -0.463 175.814 176.300 -0.038 0.000 1.014 130 M CA -0.504 54.757 55.300 -0.064 0.000 0.956 130 M CB 1.104 33.740 32.600 0.060 0.000 1.551 130 M HN 0.450 nan 8.290 nan 0.000 0.427 131 L N 2.213 123.391 121.223 -0.074 0.000 2.766 131 L HA 0.272 4.612 4.340 0.001 0.000 0.242 131 L C 0.160 177.053 176.870 0.039 0.000 1.136 131 L CA 0.004 54.822 54.840 -0.036 0.000 0.933 131 L CB 0.467 42.479 42.059 -0.079 0.000 1.241 131 L HN 0.528 nan 8.230 nan 0.000 0.522 132 S N 0.054 115.818 115.700 0.107 0.000 2.454 132 S HA 0.527 4.998 4.470 0.001 0.000 0.306 132 S C 0.870 175.583 174.600 0.189 0.000 1.100 132 S CA -0.314 57.957 58.200 0.119 0.000 1.087 132 S CB 2.273 65.537 63.200 0.107 0.000 1.019 132 S HN 0.195 nan 8.310 nan 0.000 0.480 133 A N 1.203 124.088 122.820 0.109 0.000 2.072 133 A HA 0.182 4.502 4.320 0.001 0.000 0.216 133 A C 0.593 178.276 177.584 0.164 0.000 1.156 133 A CA 0.393 52.521 52.037 0.151 0.000 0.701 133 A CB -0.243 18.808 19.000 0.085 0.000 0.816 133 A HN 0.753 nan 8.150 nan 0.000 0.458 134 C N -0.262 119.022 119.300 -0.027 0.000 2.340 134 C HA 0.765 5.225 4.460 0.001 0.000 0.323 134 C C -0.943 173.885 174.990 -0.270 0.000 1.260 134 C CA -0.910 58.078 59.018 -0.050 0.000 1.464 134 C CB -0.702 26.995 27.740 -0.072 0.000 2.156 134 C HN 0.367 nan 8.230 nan 0.000 0.476 135 F N 1.759 121.678 119.950 -0.052 0.000 2.563 135 F HA 0.725 5.252 4.527 0.001 0.000 0.316 135 F C -0.046 175.683 175.800 -0.118 0.000 1.076 135 F CA -0.878 57.069 58.000 -0.089 0.000 0.921 135 F CB 1.571 40.513 39.000 -0.097 0.000 1.209 135 F HN 0.211 nan 8.300 nan 0.000 0.462 136 V N 3.172 123.108 119.914 0.037 0.000 2.656 136 V HA 0.734 4.854 4.120 0.001 0.000 0.307 136 V C -0.993 175.036 176.094 -0.108 0.000 1.051 136 V CA -0.841 61.431 62.300 -0.046 0.000 0.893 136 V CB 2.253 34.025 31.823 -0.085 0.000 0.999 136 V HN 0.633 nan 8.190 nan 0.000 0.426 137 V N 3.627 123.456 119.914 -0.142 0.000 2.769 137 V HA 0.796 4.916 4.120 0.001 0.000 0.312 137 V C -2.624 173.289 176.094 -0.301 0.000 1.061 137 V CA -2.442 59.689 62.300 -0.281 0.000 0.931 137 V CB 1.980 33.771 31.823 -0.052 0.000 1.010 137 V HN 0.691 nan 8.190 nan 0.000 0.433 138 P HA 0.333 nan 4.420 nan 0.000 0.274 138 P C -0.696 176.486 177.300 -0.196 0.000 1.237 138 P CA -0.208 62.720 63.100 -0.286 0.000 0.793 138 P CB 1.520 33.076 31.700 -0.240 0.000 0.977 139 V N 1.320 121.097 119.914 -0.229 0.000 2.383 139 V HA 0.340 4.460 4.120 0.001 0.000 0.264 139 V C 0.997 177.027 176.094 -0.107 0.000 1.001 139 V CA -0.551 61.642 62.300 -0.179 0.000 0.828 139 V CB 0.625 32.211 31.823 -0.395 0.000 1.069 139 V HN 0.793 nan 8.190 nan 0.000 0.451 140 G N 1.135 109.910 108.800 -0.043 0.000 2.684 140 G HA2 0.200 4.160 3.960 0.001 0.000 0.255 140 G HA3 0.200 4.160 3.960 0.001 0.000 0.255 140 G C 0.027 174.916 174.900 -0.018 0.000 1.219 140 G CA -0.182 44.910 45.100 -0.014 0.000 0.901 140 G HN 0.608 nan 8.290 nan 0.000 0.548 141 D N -0.606 119.801 120.400 0.012 0.000 3.085 141 D HA 0.302 4.942 4.640 0.001 0.000 0.243 141 D C 0.416 176.717 176.300 0.001 0.000 1.232 141 D CA -0.062 53.946 54.000 0.013 0.000 0.913 141 D CB -0.424 40.425 40.800 0.082 0.000 1.108 141 D HN 0.418 nan 8.370 nan 0.000 0.468 142 S N -0.919 114.767 115.700 -0.023 0.000 2.588 142 S HA 0.330 4.800 4.470 0.001 0.000 0.275 142 S C 1.046 175.636 174.600 -0.017 0.000 1.130 142 S CA -0.852 57.344 58.200 -0.006 0.000 0.855 142 S CB 1.139 64.352 63.200 0.021 0.000 1.116 142 S HN -0.091 nan 8.310 nan 0.000 0.472 143 I N 1.290 121.877 120.570 0.027 0.000 2.264 143 I HA -0.124 4.046 4.170 0.001 0.000 0.248 143 I C 2.649 178.870 176.117 0.174 0.000 1.111 143 I CA 2.054 63.424 61.300 0.117 0.000 1.382 143 I CB -1.234 36.834 38.000 0.113 0.000 1.060 143 I HN 1.019 nan 8.210 nan 0.000 0.418 144 E N 1.597 121.852 120.200 0.093 0.000 2.038 144 E HA -0.252 4.098 4.350 0.001 0.000 0.195 144 E C 2.010 178.676 176.600 0.109 0.000 1.000 144 E CA 1.940 58.395 56.400 0.092 0.000 0.803 144 E CB -0.183 29.550 29.700 0.056 0.000 0.750 144 E HN 0.500 nan 8.360 nan 0.000 0.448 145 E N -0.257 119.988 120.200 0.076 0.000 2.158 145 E HA -0.045 4.305 4.350 0.001 0.000 0.191 145 E C 2.239 178.871 176.600 0.054 0.000 0.982 145 E CA 0.927 57.368 56.400 0.068 0.000 0.823 145 E CB -0.108 29.619 29.700 0.045 0.000 0.766 145 E HN 0.364 nan 8.360 nan 0.000 0.468 146 I N 0.162 120.735 120.570 0.006 0.000 2.163 146 I HA -0.279 3.891 4.170 0.001 0.000 0.243 146 I C 1.744 177.715 176.117 -0.243 0.000 1.085 146 I CA 1.375 62.615 61.300 -0.101 0.000 1.347 146 I CB -0.153 37.650 38.000 -0.327 0.000 1.044 146 I HN 0.084 nan 8.210 nan 0.000 0.408 147 F N 0.319 120.232 119.950 -0.062 0.000 2.512 147 F HA -0.072 4.455 4.527 0.001 0.000 0.296 147 F C 2.436 178.205 175.800 -0.052 0.000 1.110 147 F CA 0.666 58.610 58.000 -0.094 0.000 1.446 147 F CB -0.199 38.764 39.000 -0.062 0.000 1.092 147 F HN -0.018 nan 8.300 nan 0.000 0.554 148 E N 1.008 121.286 120.200 0.131 0.000 2.051 148 E HA -0.171 4.179 4.350 0.001 0.000 0.192 148 E C 2.271 178.939 176.600 0.113 0.000 0.991 148 E CA 1.445 57.911 56.400 0.110 0.000 0.799 148 E CB -0.410 29.359 29.700 0.116 0.000 0.748 148 E HN 0.214 nan 8.360 nan 0.000 0.449 149 A N 0.136 123.028 122.820 0.119 0.000 1.873 149 A HA -0.204 4.116 4.320 0.001 0.000 0.218 149 A C 2.532 180.206 177.584 0.150 0.000 1.193 149 A CA 1.996 54.164 52.037 0.219 0.000 0.629 149 A CB -1.043 18.142 19.000 0.308 0.000 0.826 149 A HN 0.204 nan 8.150 nan 0.000 0.447 150 V N 0.422 120.152 119.914 -0.306 0.000 2.392 150 V HA -0.297 3.823 4.120 0.001 0.000 0.249 150 V C 2.552 178.578 176.094 -0.113 0.000 1.059 150 V CA 2.456 64.389 62.300 -0.611 0.000 1.051 150 V CB -0.715 30.552 31.823 -0.927 0.000 0.658 150 V HN 0.715 nan 8.190 nan 0.000 0.455 151 K N 0.128 120.521 120.400 -0.013 0.000 2.057 151 K HA -0.214 4.106 4.320 0.001 0.000 0.206 151 K C 2.124 178.781 176.600 0.094 0.000 1.050 151 K CA 1.788 58.105 56.287 0.050 0.000 0.935 151 K CB -0.109 32.429 32.500 0.064 0.000 0.715 151 K HN 0.564 nan 8.250 nan 0.000 0.439 152 E N -0.461 119.829 120.200 0.150 0.000 2.058 152 E HA -0.213 4.138 4.350 0.001 0.000 0.194 152 E C 1.959 178.661 176.600 0.170 0.000 0.997 152 E CA 1.481 57.984 56.400 0.170 0.000 0.801 152 E CB -0.186 29.657 29.700 0.239 0.000 0.746 152 E HN 0.319 nan 8.360 nan 0.000 0.450 153 Y N 0.661 120.990 120.300 0.049 0.000 2.114 153 Y HA -0.277 4.273 4.550 0.001 0.000 0.282 153 Y C 2.373 178.252 175.900 -0.035 0.000 1.165 153 Y CA 1.267 59.388 58.100 0.035 0.000 1.148 153 Y CB -0.785 37.770 38.460 0.159 0.000 0.972 153 Y HN 0.059 nan 8.280 nan 0.000 0.504 154 A N -0.151 122.748 122.820 0.132 0.000 1.883 154 A HA -0.183 4.138 4.320 0.001 0.000 0.217 154 A C 2.336 179.916 177.584 -0.007 0.000 1.186 154 A CA 1.897 53.953 52.037 0.033 0.000 0.624 154 A CB -1.139 17.874 19.000 0.022 0.000 0.822 154 A HN 0.464 nan 8.150 nan 0.000 0.444 155 L N -0.839 120.385 121.223 0.002 0.000 2.027 155 L HA -0.148 4.192 4.340 0.001 0.000 0.206 155 L C 2.533 179.354 176.870 -0.082 0.000 1.074 155 L CA 1.228 56.059 54.840 -0.015 0.000 0.745 155 L CB -0.522 41.547 42.059 0.017 0.000 0.898 155 L HN 0.362 nan 8.230 nan 0.000 0.433 156 I N -0.515 119.955 120.570 -0.168 0.000 2.163 156 I HA -0.307 3.864 4.170 0.001 0.000 0.243 156 I C 2.547 178.487 176.117 -0.295 0.000 1.085 156 I CA 1.611 62.677 61.300 -0.391 0.000 1.347 156 I CB -0.503 37.111 38.000 -0.644 0.000 1.044 156 I HN 0.262 nan 8.210 nan 0.000 0.408 157 T N 0.531 114.965 114.554 -0.200 0.000 2.652 157 T HA -0.274 4.076 4.350 0.001 0.000 0.267 157 T C 1.928 176.565 174.700 -0.104 0.000 1.039 157 T CA 1.683 63.697 62.100 -0.143 0.000 1.153 157 T CB -0.278 68.520 68.868 -0.116 0.000 0.863 157 T HN 0.294 nan 8.240 nan 0.000 0.428 158 K N 0.862 121.214 120.400 -0.080 0.000 2.032 158 K HA -0.187 4.133 4.320 0.001 0.000 0.218 158 K C 2.180 178.748 176.600 -0.053 0.000 1.054 158 K CA 2.222 58.475 56.287 -0.055 0.000 0.941 158 K CB -0.469 32.016 32.500 -0.026 0.000 0.720 158 K HN 0.402 nan 8.250 nan 0.000 0.449 159 V N -3.149 116.735 119.914 -0.049 0.000 3.510 159 V HA 0.250 4.370 4.120 0.001 0.000 0.270 159 V C 0.996 177.090 176.094 -0.000 0.000 1.201 159 V CA 0.850 63.135 62.300 -0.025 0.000 1.166 159 V CB -0.124 31.701 31.823 0.003 0.000 0.825 159 V HN 0.563 nan 8.190 nan 0.000 0.484 160 G N -0.967 107.823 108.800 -0.017 0.000 2.143 160 G HA2 -0.026 3.934 3.960 0.001 0.000 0.175 160 G HA3 -0.026 3.934 3.960 0.001 0.000 0.175 160 G C 0.369 175.327 174.900 0.097 0.000 1.004 160 G CA -0.273 44.851 45.100 0.039 0.000 0.671 160 G HN 1.311 nan 8.290 nan 0.000 0.512 161 G N -0.339 108.472 108.800 0.018 0.000 2.448 161 G HA2 0.704 4.665 3.960 0.001 0.000 0.285 161 G HA3 0.704 4.665 3.960 0.001 0.000 0.285 161 G C 0.487 175.408 174.900 0.035 0.000 1.176 161 G CA 0.198 45.364 45.100 0.110 0.000 0.852 161 G HN 1.176 nan 8.290 nan 0.000 0.530 162 G N -1.014 107.883 108.800 0.161 0.000 2.332 162 G HA2 0.512 4.473 3.960 0.001 0.000 0.310 162 G HA3 0.512 4.473 3.960 0.001 0.000 0.310 162 G C -0.894 174.043 174.900 0.061 0.000 1.123 162 G CA -0.298 44.839 45.100 0.062 0.000 0.873 162 G HN 0.903 nan 8.290 nan 0.000 0.460 163 V N 1.995 121.836 119.914 -0.121 0.000 2.823 163 V HA 0.967 5.088 4.120 0.001 0.000 0.312 163 V C 0.275 176.256 176.094 -0.188 0.000 1.072 163 V CA -0.021 62.148 62.300 -0.218 0.000 0.937 163 V CB 2.065 33.557 31.823 -0.552 0.000 1.013 163 V HN 1.063 nan 8.190 nan 0.000 0.430 164 G N 3.120 111.867 108.800 -0.089 0.000 2.533 164 G HA2 0.761 4.722 3.960 0.001 0.000 0.304 164 G HA3 0.761 4.722 3.960 0.001 0.000 0.304 164 G C -1.207 173.707 174.900 0.022 0.000 1.263 164 G CA -0.527 44.592 45.100 0.032 0.000 0.964 164 G HN 0.988 nan 8.290 nan 0.000 0.479 165 S N -0.095 115.639 115.700 0.057 0.000 2.579 165 S HA 0.469 4.939 4.470 0.001 0.000 0.272 165 S C -0.979 173.463 174.600 -0.263 0.000 1.141 165 S CA -0.957 57.104 58.200 -0.232 0.000 0.843 165 S CB 2.037 64.875 63.200 -0.605 0.000 1.122 165 S HN 0.595 nan 8.310 nan 0.000 0.468 166 N N 0.582 119.091 118.700 -0.319 0.000 2.422 166 N HA 0.368 5.108 4.740 0.001 0.000 0.266 166 N C -0.945 174.327 175.510 -0.398 0.000 1.007 166 N CA -0.410 52.492 53.050 -0.247 0.000 0.941 166 N CB 0.306 38.703 38.487 -0.150 0.000 1.115 166 N HN 0.564 nan 8.380 nan 0.000 0.492 167 F N 1.055 120.869 119.950 -0.227 0.000 2.693 167 F HA 0.178 4.705 4.527 0.001 0.000 0.303 167 F C 2.048 177.712 175.800 -0.226 0.000 1.097 167 F CA -0.151 57.699 58.000 -0.250 0.000 1.330 167 F CB 0.422 39.229 39.000 -0.322 0.000 1.067 167 F HN 0.437 nan 8.300 nan 0.000 0.565 168 S N -0.166 115.494 115.700 -0.065 0.000 2.447 168 S HA -0.132 4.338 4.470 0.001 0.000 0.233 168 S C 1.925 176.679 174.600 0.256 0.000 1.006 168 S CA 0.793 59.014 58.200 0.036 0.000 0.957 168 S CB -0.166 63.048 63.200 0.023 0.000 0.773 168 S HN 0.415 nan 8.310 nan 0.000 0.507 169 E N 0.913 121.200 120.200 0.145 0.000 2.267 169 E HA -0.066 4.284 4.350 0.001 0.000 0.197 169 E C 0.138 176.921 176.600 0.305 0.000 0.998 169 E CA 0.507 57.034 56.400 0.212 0.000 0.830 169 E CB -0.214 29.524 29.700 0.064 0.000 0.751 169 E HN 0.496 nan 8.360 nan 0.000 0.491 170 L N 3.258 124.590 121.223 0.181 0.000 2.315 170 L HA 0.137 4.478 4.340 0.001 0.000 0.283 170 L C 0.855 177.706 176.870 -0.031 0.000 1.089 170 L CA -0.344 54.545 54.840 0.081 0.000 0.833 170 L CB 0.344 42.455 42.059 0.087 0.000 1.170 170 L HN 0.026 nan 8.230 nan 0.000 0.442 171 R N 4.562 124.909 120.500 -0.256 0.000 2.623 171 R HA 0.238 4.578 4.340 0.001 0.000 0.271 171 R C -2.475 173.702 176.300 -0.206 0.000 1.043 171 R CA -1.393 54.342 56.100 -0.609 0.000 1.083 171 R CB -0.313 29.817 30.300 -0.283 0.000 0.974 171 R HN 0.290 nan 8.270 nan 0.000 0.436 172 P HA -0.082 nan 4.420 nan 0.000 0.268 172 P C -0.755 176.557 177.300 0.018 0.000 1.208 172 P CA -0.047 63.045 63.100 -0.013 0.000 0.777 172 P CB 0.513 32.154 31.700 -0.098 0.000 0.875 173 K N 1.316 121.743 120.400 0.044 0.000 2.530 173 K HA 0.067 4.388 4.320 0.001 0.000 0.280 173 K C 1.145 177.754 176.600 0.015 0.000 1.004 173 K CA 1.172 57.470 56.287 0.018 0.000 1.071 173 K CB -0.876 31.627 32.500 0.005 0.000 0.876 173 K HN 0.821 nan 8.250 nan 0.000 0.487 174 G N 2.305 111.114 108.800 0.015 0.000 2.176 174 G HA2 -0.246 3.714 3.960 0.001 0.000 0.253 174 G HA3 -0.246 3.714 3.960 0.001 0.000 0.253 174 G C -0.097 174.828 174.900 0.042 0.000 0.979 174 G CA 0.246 45.360 45.100 0.024 0.000 0.641 174 G HN 0.639 nan 8.290 nan 0.000 0.530 175 S N 0.093 115.819 115.700 0.042 0.000 2.576 175 S HA 0.492 4.963 4.470 0.001 0.000 0.276 175 S C 0.196 174.864 174.600 0.113 0.000 1.339 175 S CA -0.377 57.868 58.200 0.074 0.000 1.039 175 S CB 0.820 64.047 63.200 0.045 0.000 0.902 175 S HN 0.830 nan 8.310 nan 0.000 0.516 176 F N 3.116 123.074 119.950 0.012 0.000 2.608 176 F HA 0.238 4.765 4.527 0.001 0.000 0.380 176 F C -0.337 175.482 175.800 0.032 0.000 1.083 176 F CA 0.047 58.057 58.000 0.017 0.000 1.266 176 F CB 0.298 39.304 39.000 0.011 0.000 1.076 176 F HN 0.187 nan 8.300 nan 0.000 0.574 177 V N 6.998 126.489 119.914 -0.706 0.000 2.448 177 V HA 0.587 4.707 4.120 0.001 0.000 0.295 177 V C 0.345 175.797 176.094 -1.070 0.000 1.025 177 V CA -0.825 61.098 62.300 -0.628 0.000 0.859 177 V CB 0.993 32.654 31.823 -0.270 0.000 0.988 177 V HN 1.105 nan 8.190 nan 0.000 0.431 178 A N 3.397 125.764 122.820 -0.755 0.000 2.547 178 A HA 0.479 4.800 4.320 0.001 0.000 0.233 178 A C 1.617 179.076 177.584 -0.209 0.000 1.067 178 A CA 0.753 52.554 52.037 -0.394 0.000 0.763 178 A CB -0.446 18.532 19.000 -0.036 0.000 1.007 178 A HN 2.348 nan 8.150 nan 0.000 0.506 179 G N -0.458 108.303 108.800 -0.064 0.000 2.175 179 G HA2 -0.109 3.851 3.960 0.001 0.000 0.265 179 G HA3 -0.109 3.851 3.960 0.001 0.000 0.265 179 G C 0.495 175.390 174.900 -0.007 0.000 0.979 179 G CA 1.489 46.584 45.100 -0.009 0.000 0.663 179 G HN 2.066 nan 8.290 nan 0.000 0.533 180 T N -2.765 111.771 114.554 -0.029 0.000 2.868 180 T HA 0.564 4.914 4.350 0.001 0.000 0.306 180 T C 0.581 175.364 174.700 0.138 0.000 1.224 180 T CA -0.117 62.003 62.100 0.033 0.000 1.012 180 T CB 1.101 69.957 68.868 -0.019 0.000 1.221 180 T HN 0.128 nan 8.240 nan 0.000 0.499 181 H N 1.185 120.241 119.070 -0.024 0.000 2.551 181 H HA 0.341 4.898 4.556 0.001 0.000 0.266 181 H C 1.445 176.768 175.328 -0.009 0.000 0.977 181 H CA 0.617 56.667 56.048 0.002 0.000 1.163 181 H CB -0.243 29.526 29.762 0.012 0.000 1.381 181 H HN 0.608 nan 8.280 nan 0.000 0.581 182 G N 0.927 109.779 108.800 0.087 0.000 2.467 182 G HA2 0.275 4.235 3.960 0.001 0.000 0.257 182 G HA3 0.275 4.235 3.960 0.001 0.000 0.257 182 G C -0.141 174.757 174.900 -0.003 0.000 1.227 182 G CA -0.596 44.524 45.100 0.033 0.000 0.835 182 G HN 0.040 nan 8.290 nan 0.000 0.556 183 K N 0.729 121.133 120.400 0.006 0.000 2.118 183 K HA 0.542 4.862 4.320 0.001 0.000 0.254 183 K C 0.417 177.024 176.600 0.012 0.000 0.961 183 K CA -0.599 55.692 56.287 0.006 0.000 0.876 183 K CB 2.043 34.557 32.500 0.023 0.000 1.077 183 K HN 0.609 nan 8.250 nan 0.000 0.440 184 A N 1.408 124.246 122.820 0.030 0.000 2.587 184 A HA -0.021 4.299 4.320 0.001 0.000 0.235 184 A C 1.062 178.671 177.584 0.042 0.000 1.044 184 A CA 0.305 52.393 52.037 0.086 0.000 0.754 184 A CB -0.063 18.997 19.000 0.101 0.000 0.968 184 A HN 0.719 nan 8.150 nan 0.000 0.509 185 S N 1.177 116.870 115.700 -0.012 0.000 2.453 185 S HA 0.354 4.824 4.470 0.001 0.000 0.231 185 S C 1.126 175.626 174.600 -0.167 0.000 1.005 185 S CA 0.986 59.042 58.200 -0.239 0.000 0.949 185 S CB -0.605 62.194 63.200 -0.668 0.000 0.774 185 S HN 2.333 nan 8.310 nan 0.000 0.510 186 G N 1.486 110.314 108.800 0.047 0.000 2.690 186 G HA2 -0.115 3.846 3.960 0.001 0.000 0.686 186 G HA3 -0.115 3.846 3.960 0.001 0.000 0.686 186 G C -2.320 172.683 174.900 0.172 0.000 1.277 186 G CA -0.468 44.696 45.100 0.107 0.000 0.799 186 G HN 0.031 nan 8.290 nan 0.000 0.613 187 P HA -0.120 nan 4.420 nan 0.000 0.215 187 P C 2.098 179.293 177.300 -0.175 0.000 1.157 187 P CA 2.074 65.183 63.100 0.014 0.000 0.874 187 P CB -0.031 31.569 31.700 -0.166 0.000 0.790 188 V N 0.544 120.340 119.914 -0.196 0.000 2.332 188 V HA -0.216 3.904 4.120 0.001 0.000 0.248 188 V C 3.036 178.802 176.094 -0.547 0.000 1.055 188 V CA 2.465 64.595 62.300 -0.284 0.000 1.038 188 V CB -1.617 30.123 31.823 -0.138 0.000 0.651 188 V HN 0.281 nan 8.190 nan 0.000 0.450 189 S N -0.492 114.923 115.700 -0.476 0.000 2.371 189 S HA -0.135 4.336 4.470 0.001 0.000 0.224 189 S C 1.877 176.150 174.600 -0.546 0.000 1.029 189 S CA 1.322 59.135 58.200 -0.644 0.000 0.978 189 S CB -0.405 62.523 63.200 -0.454 0.000 0.833 189 S HN 0.471 nan 8.310 nan 0.000 0.466 190 F N 1.915 121.728 119.950 -0.228 0.000 2.171 190 F HA 0.031 4.558 4.527 0.001 0.000 0.300 190 F C 2.398 178.168 175.800 -0.049 0.000 1.090 190 F CA 1.244 59.190 58.000 -0.091 0.000 1.293 190 F CB -0.649 38.355 39.000 0.007 0.000 1.013 190 F HN 0.214 nan 8.300 nan 0.000 0.486 191 M N -0.895 118.591 119.600 -0.190 0.000 2.202 191 M HA -0.244 4.236 4.480 0.001 0.000 0.262 191 M C 2.095 178.484 176.300 0.148 0.000 1.063 191 M CA 1.378 56.480 55.300 -0.330 0.000 1.097 191 M CB -0.801 31.201 32.600 -0.996 0.000 1.382 191 M HN 0.137 nan 8.290 nan 0.000 0.413 192 H N -0.184 118.911 119.070 0.041 0.000 2.426 192 H HA -0.103 4.454 4.556 0.001 0.000 0.298 192 H C 2.305 177.730 175.328 0.161 0.000 1.107 192 H CA 1.557 57.667 56.048 0.103 0.000 1.298 192 H CB -1.173 28.609 29.762 0.034 0.000 1.377 192 H HN 0.253 nan 8.280 nan 0.000 0.519 193 V N 0.513 120.581 119.914 0.256 0.000 2.427 193 V HA -0.214 3.907 4.120 0.001 0.000 0.248 193 V C 2.225 178.350 176.094 0.053 0.000 1.051 193 V CA 1.547 63.916 62.300 0.114 0.000 1.048 193 V CB -0.850 30.973 31.823 0.000 0.000 0.666 193 V HN 0.203 nan 8.190 nan 0.000 0.456 194 F N 0.752 120.743 119.950 0.069 0.000 2.102 194 F HA -0.165 4.363 4.527 0.001 0.000 0.298 194 F C 2.414 178.320 175.800 0.176 0.000 1.105 194 F CA 2.036 60.077 58.000 0.068 0.000 1.239 194 F CB -0.706 38.337 39.000 0.071 0.000 0.991 194 F HN 0.171 nan 8.300 nan 0.000 0.474 195 N N 0.051 119.079 118.700 0.547 0.000 2.104 195 N HA -0.243 4.497 4.740 0.001 0.000 0.190 195 N C 2.033 177.735 175.510 0.321 0.000 1.024 195 N CA 1.577 54.917 53.050 0.484 0.000 0.853 195 N CB -0.281 38.530 38.487 0.541 0.000 1.008 195 N HN 0.172 nan 8.380 nan 0.000 0.424 196 S N -0.654 115.187 115.700 0.235 0.000 2.370 196 S HA -0.111 4.359 4.470 0.001 0.000 0.226 196 S C 1.981 176.618 174.600 0.062 0.000 1.033 196 S CA 1.389 59.676 58.200 0.145 0.000 1.011 196 S CB -0.589 62.685 63.200 0.123 0.000 0.852 196 S HN 0.452 nan 8.310 nan 0.000 0.457 197 A N 1.707 124.545 122.820 0.030 0.000 1.873 197 A HA 0.103 4.423 4.320 0.001 0.000 0.215 197 A C 2.152 179.690 177.584 -0.077 0.000 1.186 197 A CA 1.411 53.436 52.037 -0.021 0.000 0.616 197 A CB -0.671 18.304 19.000 -0.041 0.000 0.823 197 A HN 0.563 nan 8.150 nan 0.000 0.442 198 I N 0.067 120.561 120.570 -0.127 0.000 2.286 198 I HA -0.155 4.015 4.170 0.001 0.000 0.248 198 I C 2.532 178.295 176.117 -0.590 0.000 1.115 198 I CA 1.468 62.557 61.300 -0.351 0.000 1.392 198 I CB -1.693 36.032 38.000 -0.458 0.000 1.065 198 I HN 0.251 nan 8.210 nan 0.000 0.418 199 S N 0.479 115.878 115.700 -0.502 0.000 2.421 199 S HA -0.165 4.305 4.470 0.001 0.000 0.239 199 S C 1.785 176.310 174.600 -0.124 0.000 1.054 199 S CA 2.004 60.068 58.200 -0.226 0.000 1.035 199 S CB -0.192 63.073 63.200 0.109 0.000 0.840 199 S HN 0.470 nan 8.310 nan 0.000 0.475 200 V N -2.172 117.677 119.914 -0.108 0.000 3.477 200 V HA 0.449 4.570 4.120 0.001 0.000 0.297 200 V C 0.325 176.380 176.094 -0.066 0.000 1.433 200 V CA -0.150 62.117 62.300 -0.054 0.000 1.052 200 V CB 0.803 32.614 31.823 -0.021 0.000 0.895 200 V HN 0.145 nan 8.190 nan 0.000 0.438 201 V N 2.794 122.645 119.914 -0.106 0.000 2.306 201 V HA 0.381 4.502 4.120 0.001 0.000 0.286 201 V C 0.383 176.408 176.094 -0.116 0.000 1.404 201 V CA -0.628 61.615 62.300 -0.095 0.000 1.467 201 V CB -0.750 31.019 31.823 -0.090 0.000 1.459 201 V HN 0.558 nan 8.190 nan 0.000 0.518 211 L N 0.648 121.838 121.223 -0.055 0.000 2.381 211 L HA 0.742 5.082 4.340 0.001 0.000 0.268 211 L C -0.618 176.283 176.870 0.051 0.000 0.997 211 L CA -0.834 53.927 54.840 -0.132 0.000 0.818 211 L CB 2.012 43.752 42.059 -0.532 0.000 1.310 211 L HN 0.394 nan 8.230 nan 0.000 0.416 212 M N 1.925 121.615 119.600 0.150 0.000 2.238 212 M HA 0.655 5.136 4.480 0.001 0.000 0.350 212 M C -0.289 176.340 176.300 0.549 0.000 1.138 212 M CA -0.279 55.191 55.300 0.283 0.000 1.040 212 M CB 1.595 34.290 32.600 0.158 0.000 1.639 212 M HN 0.475 nan 8.290 nan 0.000 0.451 213 G N 6.516 115.687 108.800 0.619 0.000 2.644 213 G HA2 0.670 4.631 3.960 0.001 0.000 0.300 213 G HA3 0.670 4.631 3.960 0.001 0.000 0.300 213 G C -1.246 173.895 174.900 0.401 0.000 1.395 213 G CA -0.564 44.874 45.100 0.564 0.000 0.964 213 G HN 0.795 nan 8.290 nan 0.000 0.511 214 I N 2.643 123.365 120.570 0.253 0.000 2.412 214 I HA 0.430 4.600 4.170 0.001 0.000 0.296 214 I C -0.488 175.445 176.117 -0.307 0.000 0.987 214 I CA -0.820 60.497 61.300 0.028 0.000 1.180 214 I CB 2.074 40.071 38.000 -0.004 0.000 1.340 214 I HN 0.065 nan 8.210 nan 0.000 0.455 215 L N 5.762 126.521 121.223 -0.774 0.000 2.385 215 L HA 0.465 4.806 4.340 0.001 0.000 0.273 215 L C -0.678 175.861 176.870 -0.553 0.000 0.990 215 L CA -0.738 53.551 54.840 -0.919 0.000 0.821 215 L CB 2.009 42.995 42.059 -1.789 0.000 1.279 215 L HN 0.582 nan 8.230 nan 0.000 0.412 216 N N 2.768 121.269 118.700 -0.332 0.000 2.441 216 N HA -0.002 4.738 4.740 0.001 0.000 0.251 216 N C 0.917 176.293 175.510 -0.222 0.000 1.242 216 N CA -0.090 52.822 53.050 -0.229 0.000 0.898 216 N CB 1.013 39.439 38.487 -0.102 0.000 1.100 216 N HN 0.582 nan 8.380 nan 0.000 0.443 217 I N 1.671 122.051 120.570 -0.316 0.000 2.614 217 I HA -0.198 3.973 4.170 0.001 0.000 0.258 217 I C 0.937 176.999 176.117 -0.092 0.000 1.189 217 I CA 1.155 62.278 61.300 -0.294 0.000 1.462 217 I CB -0.223 37.464 38.000 -0.521 0.000 1.092 217 I HN 0.529 nan 8.210 nan 0.000 0.442 218 N N -1.085 117.586 118.700 -0.049 0.000 2.276 218 N HA -0.048 4.692 4.740 0.001 0.000 0.212 218 N C 0.467 176.000 175.510 0.038 0.000 1.127 218 N CA 0.007 53.062 53.050 0.008 0.000 0.834 218 N CB -0.705 37.788 38.487 0.009 0.000 1.014 218 N HN 0.363 nan 8.380 nan 0.000 0.491 219 H N 1.341 120.386 119.070 -0.042 0.000 2.527 219 H HA 0.227 4.784 4.556 0.001 0.000 0.321 219 H C -1.748 173.581 175.328 0.001 0.000 1.087 219 H CA -1.688 54.356 56.048 -0.007 0.000 1.337 219 H CB 1.926 31.658 29.762 -0.050 0.000 1.440 219 H HN -0.156 nan 8.280 nan 0.000 0.490 220 P HA -0.145 nan 4.420 nan 0.000 0.219 220 P C 0.243 177.618 177.300 0.126 0.000 1.144 220 P CA 1.308 64.395 63.100 -0.022 0.000 0.806 220 P CB 0.351 31.983 31.700 -0.113 0.000 0.771 221 D N -2.130 118.495 120.400 0.375 0.000 2.368 221 D HA 0.066 4.706 4.640 0.001 0.000 0.218 221 D C 1.523 177.919 176.300 0.160 0.000 1.112 221 D CA -0.312 53.827 54.000 0.232 0.000 0.834 221 D CB -0.354 40.569 40.800 0.205 0.000 0.953 221 D HN 0.047 nan 8.370 nan 0.000 0.505 222 I N 1.610 122.270 120.570 0.150 0.000 2.248 222 I HA -0.283 3.888 4.170 0.001 0.000 0.248 222 I C 1.806 178.014 176.117 0.151 0.000 1.107 222 I CA 1.759 63.126 61.300 0.112 0.000 1.373 222 I CB 0.082 38.112 38.000 0.051 0.000 1.055 222 I HN -0.028 nan 8.210 nan 0.000 0.418 223 E N -0.433 119.833 120.200 0.109 0.000 2.072 223 E HA -0.236 4.115 4.350 0.001 0.000 0.190 223 E C 2.098 178.741 176.600 0.072 0.000 0.982 223 E CA 1.098 57.548 56.400 0.084 0.000 0.803 223 E CB -0.213 29.526 29.700 0.065 0.000 0.755 223 E HN 0.603 nan 8.360 nan 0.000 0.453 224 E N 0.574 120.819 120.200 0.076 0.000 2.051 224 E HA -0.228 4.123 4.350 0.001 0.000 0.192 224 E C 1.891 178.523 176.600 0.053 0.000 0.991 224 E CA 0.857 57.289 56.400 0.052 0.000 0.799 224 E CB -0.157 29.573 29.700 0.049 0.000 0.748 224 E HN 0.155 nan 8.360 nan 0.000 0.449 225 F N 1.600 121.511 119.950 -0.065 0.000 2.063 225 F HA -0.271 4.256 4.527 0.001 0.000 0.298 225 F C 2.062 177.820 175.800 -0.070 0.000 1.109 225 F CA 1.928 59.870 58.000 -0.098 0.000 1.212 225 F CB -0.310 38.614 39.000 -0.127 0.000 0.973 225 F HN 0.053 nan 8.300 nan 0.000 0.480 226 I N 0.081 120.636 120.570 -0.025 0.000 2.226 226 I HA -0.307 3.863 4.170 0.001 0.000 0.245 226 I C 1.542 177.582 176.117 -0.128 0.000 1.100 226 I CA 1.733 62.978 61.300 -0.092 0.000 1.374 226 I CB -0.564 37.452 38.000 0.025 0.000 1.057 226 I HN 0.126 nan 8.210 nan 0.000 0.413 227 D N 1.080 121.434 120.400 -0.077 0.000 2.349 227 D HA 0.049 4.689 4.640 0.001 0.000 0.224 227 D C 2.075 178.316 176.300 -0.099 0.000 1.029 227 D CA 0.669 54.631 54.000 -0.063 0.000 0.879 227 D CB 0.127 40.914 40.800 -0.021 0.000 0.906 227 D HN 0.296 nan 8.370 nan 0.000 0.528 228 A N 1.112 123.827 122.820 -0.175 0.000 2.084 228 A HA -0.194 4.126 4.320 0.001 0.000 0.221 228 A C 1.975 179.479 177.584 -0.134 0.000 1.161 228 A CA 1.233 53.169 52.037 -0.169 0.000 0.653 228 A CB -0.123 18.690 19.000 -0.311 0.000 0.802 228 A HN 0.058 nan 8.150 nan 0.000 0.457 229 K N -1.198 119.114 120.400 -0.146 0.000 2.358 229 K HA 0.175 4.495 4.320 0.001 0.000 0.200 229 K C -0.159 176.398 176.600 -0.072 0.000 1.030 229 K CA -0.073 56.151 56.287 -0.104 0.000 1.097 229 K CB 0.306 32.741 32.500 -0.107 0.000 0.862 229 K HN 0.432 nan 8.250 nan 0.000 0.534 238 L N 1.918 123.114 121.223 -0.046 0.000 3.186 238 L HA 0.321 4.661 4.340 0.001 0.000 0.292 238 L C 1.723 178.631 176.870 0.064 0.000 1.303 238 L CA -0.067 54.845 54.840 0.120 0.000 0.940 238 L CB 0.537 42.656 42.059 0.099 0.000 1.358 238 L HN 0.410 nan 8.230 nan 0.000 0.581 239 N N 0.329 118.950 118.700 -0.131 0.000 2.364 239 N HA -0.190 4.551 4.740 0.001 0.000 0.183 239 N C 1.202 176.462 175.510 -0.416 0.000 1.022 239 N CA 1.491 54.344 53.050 -0.327 0.000 0.883 239 N CB -0.275 37.901 38.487 -0.519 0.000 0.965 239 N HN 0.372 nan 8.380 nan 0.000 0.438 240 F N -0.609 119.380 119.950 0.065 0.000 2.776 240 F HA 0.323 4.850 4.527 0.001 0.000 0.300 240 F C 0.447 176.197 175.800 -0.084 0.000 1.116 240 F CA -0.377 57.608 58.000 -0.026 0.000 1.375 240 F CB -0.080 38.875 39.000 -0.074 0.000 1.109 240 F HN -0.205 nan 8.300 nan 0.000 0.585 241 F N 1.383 121.425 119.950 0.153 0.000 2.404 241 F HA 0.249 4.776 4.527 0.001 0.000 0.345 241 F C 0.563 176.396 175.800 0.055 0.000 1.110 241 F CA -0.790 57.284 58.000 0.124 0.000 1.130 241 F CB 0.399 39.454 39.000 0.093 0.000 1.129 241 F HN -0.177 nan 8.300 nan 0.000 0.500 242 N N 3.404 122.256 118.700 0.253 0.000 2.524 242 N HA 0.386 5.127 4.740 0.001 0.000 0.283 242 N C -1.215 174.435 175.510 0.234 0.000 1.142 242 N CA -0.420 52.735 53.050 0.174 0.000 0.984 242 N CB 1.667 40.217 38.487 0.104 0.000 1.155 242 N HN 0.292 nan 8.380 nan 0.000 0.467 243 L N 0.876 122.172 121.223 0.121 0.000 2.362 243 L HA 0.444 4.785 4.340 0.001 0.000 0.275 243 L C -0.143 176.798 176.870 0.118 0.000 0.998 243 L CA -0.278 54.617 54.840 0.092 0.000 0.820 243 L CB 1.617 43.552 42.059 -0.207 0.000 1.270 243 L HN 0.409 nan 8.230 nan 0.000 0.415 244 S N 1.327 117.173 115.700 0.244 0.000 2.548 244 S HA 0.710 5.181 4.470 0.001 0.000 0.286 244 S C -0.962 173.785 174.600 0.246 0.000 1.098 244 S CA -0.548 57.755 58.200 0.171 0.000 0.930 244 S CB 2.264 65.515 63.200 0.085 0.000 1.070 244 S HN 0.215 nan 8.310 nan 0.000 0.480 245 V N 2.450 122.442 119.914 0.129 0.000 2.461 245 V HA 0.507 4.627 4.120 0.001 0.000 0.275 245 V C 0.989 177.010 176.094 -0.122 0.000 1.047 245 V CA -0.378 61.907 62.300 -0.026 0.000 0.955 245 V CB 0.950 32.695 31.823 -0.130 0.000 0.988 245 V HN 0.945 nan 8.190 nan 0.000 0.471 246 G N 3.568 112.225 108.800 -0.239 0.000 2.372 246 G HA2 0.548 4.509 3.960 0.001 0.000 0.283 246 G HA3 0.548 4.509 3.960 0.001 0.000 0.283 246 G C -0.931 173.796 174.900 -0.288 0.000 1.177 246 G CA -0.251 44.761 45.100 -0.147 0.000 0.842 246 G HN 0.545 nan 8.290 nan 0.000 0.503 247 F N 3.421 123.407 119.950 0.059 0.000 2.451 247 F HA 0.299 4.826 4.527 0.001 0.000 0.367 247 F C -1.316 174.554 175.800 0.116 0.000 1.100 247 F CA -1.932 56.151 58.000 0.138 0.000 1.171 247 F CB 2.724 41.910 39.000 0.308 0.000 1.405 247 F HN 0.364 nan 8.300 nan 0.000 0.482 248 P HA -0.111 nan 4.420 nan 0.000 0.225 248 P C 0.603 177.972 177.300 0.116 0.000 1.156 248 P CA 1.026 64.195 63.100 0.115 0.000 0.787 248 P CB 0.216 31.956 31.700 0.065 0.000 0.802 249 M N -0.837 118.849 119.600 0.143 0.000 2.159 249 M HA 0.327 4.808 4.480 0.001 0.000 0.293 249 M C 0.126 176.490 176.300 0.106 0.000 1.186 249 M CA 0.010 55.378 55.300 0.114 0.000 1.073 249 M CB -0.409 32.262 32.600 0.118 0.000 1.419 249 M HN -0.263 nan 8.290 nan 0.000 0.490 250 D N 1.054 121.487 120.400 0.056 0.000 2.443 250 D HA 0.031 4.671 4.640 0.001 0.000 0.239 250 D C 0.645 176.946 176.300 0.002 0.000 1.136 250 D CA 0.261 54.268 54.000 0.012 0.000 0.879 250 D CB 1.049 41.844 40.800 -0.008 0.000 1.195 250 D HN 0.570 nan 8.370 nan 0.000 0.443 251 K N 2.485 122.835 120.400 -0.083 0.000 2.103 251 K HA -0.198 4.122 4.320 0.001 0.000 0.207 251 K C 1.885 178.405 176.600 -0.133 0.000 1.048 251 K CA 1.251 57.415 56.287 -0.205 0.000 0.930 251 K CB 0.146 32.406 32.500 -0.400 0.000 0.716 251 K HN 0.347 nan 8.250 nan 0.000 0.444 252 K N 0.857 121.205 120.400 -0.086 0.000 2.103 252 K HA -0.206 4.114 4.320 0.001 0.000 0.207 252 K C 2.084 178.672 176.600 -0.019 0.000 1.048 252 K CA 1.500 57.755 56.287 -0.053 0.000 0.930 252 K CB 0.040 32.517 32.500 -0.038 0.000 0.716 252 K HN 0.224 nan 8.250 nan 0.000 0.444 253 E N 0.200 120.403 120.200 0.005 0.000 2.158 253 E HA -0.118 4.232 4.350 0.001 0.000 0.191 253 E C 1.704 178.340 176.600 0.060 0.000 0.982 253 E CA 0.508 56.928 56.400 0.033 0.000 0.823 253 E CB 0.286 30.014 29.700 0.046 0.000 0.766 253 E HN 0.105 nan 8.360 nan 0.000 0.468 254 I N 1.020 121.637 120.570 0.079 0.000 2.400 254 I HA -0.142 4.028 4.170 0.001 0.000 0.248 254 I C 2.289 178.434 176.117 0.047 0.000 1.109 254 I CA 0.504 61.887 61.300 0.138 0.000 1.425 254 I CB -0.746 37.432 38.000 0.295 0.000 1.094 254 I HN 0.271 nan 8.210 nan 0.000 0.425 255 L N 1.282 122.490 121.223 -0.024 0.000 2.012 255 L HA -0.216 4.124 4.340 0.001 0.000 0.210 255 L C 2.531 179.402 176.870 0.001 0.000 1.073 255 L CA 1.970 56.771 54.840 -0.064 0.000 0.748 255 L CB -0.851 41.151 42.059 -0.095 0.000 0.891 255 L HN 0.129 nan 8.230 nan 0.000 0.431 256 K N -0.642 119.763 120.400 0.008 0.000 2.009 256 K HA -0.217 4.103 4.320 0.001 0.000 0.210 256 K C 2.232 178.853 176.600 0.035 0.000 1.049 256 K CA 1.978 58.278 56.287 0.021 0.000 0.929 256 K CB -0.451 32.057 32.500 0.014 0.000 0.714 256 K HN 0.405 nan 8.250 nan 0.000 0.440 257 L N 0.468 121.715 121.223 0.041 0.000 2.043 257 L HA -0.261 4.079 4.340 0.001 0.000 0.212 257 L C 2.514 179.396 176.870 0.020 0.000 1.075 257 L CA 1.800 56.661 54.840 0.035 0.000 0.752 257 L CB -0.493 41.600 42.059 0.057 0.000 0.891 257 L HN 0.355 nan 8.230 nan 0.000 0.432 258 Y N 1.083 121.319 120.300 -0.106 0.000 2.114 258 Y HA -0.290 4.261 4.550 0.001 0.000 0.284 258 Y C 2.514 178.354 175.900 -0.100 0.000 1.143 258 Y CA 2.027 60.028 58.100 -0.165 0.000 1.135 258 Y CB -0.255 38.002 38.460 -0.337 0.000 0.980 258 Y HN 0.237 nan 8.280 nan 0.000 0.499 259 E N -0.205 120.118 120.200 0.205 0.000 2.153 259 E HA -0.208 4.143 4.350 0.001 0.000 0.194 259 E C 1.467 178.089 176.600 0.036 0.000 0.988 259 E CA 1.437 57.914 56.400 0.130 0.000 0.811 259 E CB -0.128 29.620 29.700 0.080 0.000 0.746 259 E HN 0.653 nan 8.360 nan 0.000 0.466 260 E N 0.539 120.745 120.200 0.010 0.000 2.463 260 E HA -0.035 4.316 4.350 0.001 0.000 0.193 260 E C -0.360 176.218 176.600 -0.038 0.000 1.041 260 E CA -0.147 56.247 56.400 -0.010 0.000 0.879 260 E CB 0.299 29.998 29.700 -0.001 0.000 0.997 260 E HN 0.050 nan 8.360 nan 0.000 0.478 261 D N 1.287 121.637 120.400 -0.082 0.000 2.708 261 D HA -0.128 4.512 4.640 0.001 0.000 0.236 261 D C 0.254 176.508 176.300 -0.078 0.000 1.146 261 D CA 0.957 54.883 54.000 -0.124 0.000 0.662 261 D CB -1.139 39.601 40.800 -0.101 0.000 1.059 261 D HN 0.373 nan 8.370 nan 0.000 0.428 262 G N 0.067 108.834 108.800 -0.055 0.000 2.653 262 G HA2 0.385 4.346 3.960 0.001 0.000 0.265 262 G HA3 0.385 4.346 3.960 0.001 0.000 0.265 262 G C 0.006 174.897 174.900 -0.015 0.000 1.237 262 G CA -0.463 44.623 45.100 -0.023 0.000 0.946 262 G HN 0.241 nan 8.290 nan 0.000 0.522 263 E N -1.049 119.154 120.200 0.005 0.000 2.191 263 E HA 0.391 4.741 4.350 0.001 0.000 0.274 263 E C -1.233 175.388 176.600 0.035 0.000 0.948 263 E CA -0.720 55.691 56.400 0.017 0.000 0.802 263 E CB 2.576 32.284 29.700 0.012 0.000 1.137 263 E HN 0.173 nan 8.360 nan 0.000 0.397 264 L N 2.405 123.657 121.223 0.050 0.000 2.305 264 L HA 0.227 4.567 4.340 0.001 0.000 0.284 264 L C -0.403 176.492 176.870 0.042 0.000 1.013 264 L CA -0.593 54.281 54.840 0.058 0.000 0.819 264 L CB 1.403 43.515 42.059 0.089 0.000 1.227 264 L HN 0.377 nan 8.230 nan 0.000 0.417 265 E N 4.508 124.727 120.200 0.032 0.000 2.383 265 E HA 0.131 4.481 4.350 0.001 0.000 0.257 265 E C -1.153 175.458 176.600 0.019 0.000 1.079 265 E CA 0.497 56.909 56.400 0.021 0.000 0.934 265 E CB 0.068 29.776 29.700 0.014 0.000 0.978 265 E HN 0.508 nan 8.360 nan 0.000 0.462 266 L N 4.781 126.014 121.223 0.016 0.000 2.261 266 L HA 0.342 4.682 4.340 0.001 0.000 0.289 266 L C 0.219 177.083 176.870 -0.011 0.000 1.059 266 L CA -0.467 54.377 54.840 0.007 0.000 0.816 266 L CB 0.298 42.366 42.059 0.016 0.000 1.191 266 L HN 0.565 nan 8.230 nan 0.000 0.431 267 S N 1.804 117.490 115.700 -0.024 0.000 2.720 267 S HA 0.604 5.074 4.470 0.001 0.000 0.287 267 S C -1.222 173.359 174.600 -0.031 0.000 1.168 267 S CA -0.813 57.372 58.200 -0.025 0.000 0.832 267 S CB 2.774 65.964 63.200 -0.017 0.000 1.166 267 S HN 0.640 nan 8.310 nan 0.000 0.493 268 H N 0.373 119.375 119.070 -0.114 0.000 2.974 268 H HA 0.413 4.969 4.556 0.001 0.000 0.366 268 H C -2.358 172.939 175.328 -0.052 0.000 1.155 268 H CA -1.633 54.345 56.048 -0.117 0.000 1.186 268 H CB 2.414 32.061 29.762 -0.193 0.000 1.799 268 H HN 0.540 nan 8.280 nan 0.000 0.541 269 P HA -0.004 nan 4.420 nan 0.000 0.228 269 P C 0.141 177.463 177.300 0.038 0.000 1.151 269 P CA 0.736 63.748 63.100 -0.146 0.000 0.770 269 P CB 0.392 31.966 31.700 -0.209 0.000 0.786 270 R N -0.595 120.072 120.500 0.278 0.000 2.834 270 R HA 0.463 4.803 4.340 0.001 0.000 0.362 270 R C -0.279 176.149 176.300 0.214 0.000 1.147 270 R CA -0.047 56.198 56.100 0.241 0.000 1.125 270 R CB 0.648 31.092 30.300 0.239 0.000 1.361 270 R HN -0.050 nan 8.270 nan 0.000 0.598 271 S N -0.799 115.000 115.700 0.166 0.000 2.556 271 S HA 0.081 4.552 4.470 0.001 0.000 0.280 271 S C 0.614 175.253 174.600 0.065 0.000 1.141 271 S CA -0.530 57.732 58.200 0.104 0.000 0.883 271 S CB 1.382 64.620 63.200 0.063 0.000 1.103 271 S HN 0.306 nan 8.310 nan 0.000 0.453 272 T N 1.311 115.891 114.554 0.043 0.000 3.081 272 T HA 0.344 4.695 4.350 0.001 0.000 0.250 272 T C 0.838 175.546 174.700 0.014 0.000 1.100 272 T CA 0.110 62.221 62.100 0.019 0.000 1.038 272 T CB -0.567 68.303 68.868 0.003 0.000 0.962 272 T HN 0.572 nan 8.240 nan 0.000 0.516 273 I N 2.957 123.536 120.570 0.015 0.000 2.664 273 I HA 0.206 4.377 4.170 0.001 0.000 0.284 273 I C 0.513 176.628 176.117 -0.003 0.000 1.154 273 I CA 0.174 61.476 61.300 0.004 0.000 1.402 273 I CB 0.065 38.064 38.000 -0.003 0.000 1.395 273 I HN 0.188 nan 8.210 nan 0.000 0.545 274 R N 5.933 126.433 120.500 -0.001 0.000 2.774 274 R HA 0.776 5.116 4.340 0.001 0.000 0.272 274 R C -1.076 175.225 176.300 0.003 0.000 1.000 274 R CA -1.218 54.881 56.100 -0.001 0.000 0.906 274 R CB 2.864 33.164 30.300 0.000 0.000 1.227 274 R HN 0.419 nan 8.270 nan 0.000 0.468 275 K N 0.998 121.401 120.400 0.005 0.000 2.610 275 K HA 0.273 4.593 4.320 0.001 0.000 0.278 275 K C -1.866 174.743 176.600 0.015 0.000 0.964 275 K CA -0.690 55.604 56.287 0.011 0.000 0.859 275 K CB 2.308 34.818 32.500 0.016 0.000 1.434 275 K HN 0.422 nan 8.250 nan 0.000 0.410 276 K N 2.148 122.558 120.400 0.017 0.000 2.292 276 K HA 0.493 4.813 4.320 0.001 0.000 0.257 276 K C -1.055 175.561 176.600 0.025 0.000 0.940 276 K CA -0.838 55.461 56.287 0.020 0.000 0.811 276 K CB 1.890 34.399 32.500 0.015 0.000 1.120 276 K HN 0.399 nan 8.250 nan 0.000 0.428 277 V N -0.425 119.510 119.914 0.035 0.000 2.864 277 V HA 0.522 4.642 4.120 0.001 0.000 0.314 277 V C -0.711 175.408 176.094 0.041 0.000 1.073 277 V CA -1.185 61.139 62.300 0.042 0.000 0.956 277 V CB 1.667 33.526 31.823 0.059 0.000 1.023 277 V HN 0.598 nan 8.190 nan 0.000 0.435 278 K N 2.458 122.876 120.400 0.030 0.000 2.349 278 K HA 0.275 4.596 4.320 0.001 0.000 0.288 278 K C 0.664 177.290 176.600 0.042 0.000 1.058 278 K CA -0.242 56.051 56.287 0.011 0.000 0.953 278 K CB 1.626 34.114 32.500 -0.020 0.000 0.997 278 K HN 0.757 nan 8.250 nan 0.000 0.477 279 I N 3.945 124.543 120.570 0.046 0.000 2.335 279 I HA -0.274 3.897 4.170 0.001 0.000 0.251 279 I C 2.034 178.226 176.117 0.125 0.000 1.129 279 I CA 1.618 63.006 61.300 0.146 0.000 1.402 279 I CB -0.012 38.066 38.000 0.130 0.000 1.069 279 I HN 0.538 nan 8.210 nan 0.000 0.424 280 R N 0.160 120.561 120.500 -0.166 0.000 2.120 280 R HA -0.159 4.182 4.340 0.001 0.000 0.234 280 R C 2.047 178.372 176.300 0.042 0.000 1.123 280 R CA 1.669 57.592 56.100 -0.295 0.000 0.975 280 R CB -0.365 29.630 30.300 -0.508 0.000 0.866 280 R HN 0.558 nan 8.270 nan 0.000 0.446 281 E N 0.296 120.530 120.200 0.057 0.000 2.112 281 E HA -0.127 4.223 4.350 0.001 0.000 0.190 281 E C 1.849 178.546 176.600 0.162 0.000 0.979 281 E CA 0.404 56.859 56.400 0.092 0.000 0.814 281 E CB -0.001 29.729 29.700 0.051 0.000 0.762 281 E HN 0.045 nan 8.360 nan 0.000 0.460 282 L N 0.390 121.739 121.223 0.210 0.000 1.989 282 L HA -0.153 4.188 4.340 0.001 0.000 0.211 282 L C 1.981 179.039 176.870 0.313 0.000 1.071 282 L CA 1.692 56.676 54.840 0.239 0.000 0.749 282 L CB -0.649 41.570 42.059 0.267 0.000 0.890 282 L HN 0.088 nan 8.230 nan 0.000 0.431 283 F N -0.650 119.450 119.950 0.249 0.000 2.216 283 F HA -0.218 4.310 4.527 0.001 0.000 0.300 283 F C 2.746 178.741 175.800 0.325 0.000 1.085 283 F CA 1.359 59.574 58.000 0.358 0.000 1.326 283 F CB -0.183 39.136 39.000 0.531 0.000 1.027 283 F HN 0.066 nan 8.300 nan 0.000 0.497 284 R N 0.745 121.486 120.500 0.403 0.000 2.092 284 R HA -0.149 4.191 4.340 0.001 0.000 0.231 284 R C 2.022 178.428 176.300 0.177 0.000 1.119 284 R CA 1.344 57.593 56.100 0.248 0.000 0.970 284 R CB -0.045 30.349 30.300 0.158 0.000 0.864 284 R HN 0.182 nan 8.270 nan 0.000 0.440 285 K N 0.280 120.777 120.400 0.162 0.000 2.002 285 K HA -0.118 4.202 4.320 0.001 0.000 0.209 285 K C 2.072 178.748 176.600 0.125 0.000 1.048 285 K CA 1.892 58.248 56.287 0.115 0.000 0.930 285 K CB -0.228 32.330 32.500 0.096 0.000 0.714 285 K HN 0.150 nan 8.250 nan 0.000 0.438 286 I N 1.242 121.896 120.570 0.140 0.000 2.069 286 I HA -0.357 3.813 4.170 0.001 0.000 0.237 286 I C 2.559 178.823 176.117 0.245 0.000 1.053 286 I CA 1.556 62.944 61.300 0.147 0.000 1.311 286 I CB -0.651 37.389 38.000 0.067 0.000 1.030 286 I HN 0.199 nan 8.210 nan 0.000 0.398 287 A N 0.322 123.347 122.820 0.341 0.000 1.948 287 A HA -0.231 4.089 4.320 0.001 0.000 0.220 287 A C 2.369 180.064 177.584 0.184 0.000 1.177 287 A CA 2.615 54.808 52.037 0.260 0.000 0.636 287 A CB -1.185 17.897 19.000 0.137 0.000 0.815 287 A HN 0.479 nan 8.150 nan 0.000 0.449 288 T N 0.245 114.883 114.554 0.139 0.000 2.708 288 T HA -0.146 4.204 4.350 0.001 0.000 0.266 288 T C 1.927 176.744 174.700 0.196 0.000 1.037 288 T CA 1.381 63.544 62.100 0.104 0.000 1.146 288 T CB -0.410 68.484 68.868 0.043 0.000 0.865 288 T HN 0.562 nan 8.240 nan 0.000 0.435 289 N N 0.849 119.642 118.700 0.155 0.000 2.106 289 N HA -0.059 4.681 4.740 0.001 0.000 0.188 289 N C 2.254 177.852 175.510 0.147 0.000 1.029 289 N CA 1.301 54.431 53.050 0.133 0.000 0.848 289 N CB -0.224 38.306 38.487 0.072 0.000 1.007 289 N HN 0.367 nan 8.380 nan 0.000 0.423 290 A N 0.443 123.363 122.820 0.166 0.000 1.908 290 A HA -0.193 4.128 4.320 0.001 0.000 0.218 290 A C 2.014 179.669 177.584 0.118 0.000 1.181 290 A CA 1.299 53.425 52.037 0.147 0.000 0.627 290 A CB -1.232 17.898 19.000 0.216 0.000 0.818 290 A HN 0.624 nan 8.150 nan 0.000 0.445 291 W N 0.483 121.772 121.300 -0.019 0.000 2.342 291 W HA -0.175 4.486 4.660 0.001 0.000 0.297 291 W C 2.088 178.563 176.519 -0.074 0.000 1.213 291 W CA 2.162 59.469 57.345 -0.062 0.000 1.251 291 W CB 0.047 29.479 29.460 -0.046 0.000 1.136 291 W HN 0.249 nan 8.180 nan 0.000 0.526 292 K N -0.543 119.982 120.400 0.209 0.000 2.098 292 K HA -0.062 4.258 4.320 0.001 0.000 0.203 292 K C 1.913 178.464 176.600 -0.081 0.000 1.051 292 K CA 1.760 58.086 56.287 0.066 0.000 0.957 292 K CB -0.008 32.638 32.500 0.244 0.000 0.738 292 K HN 0.134 nan 8.250 nan 0.000 0.447 293 S N -2.962 112.729 115.700 -0.016 0.000 2.820 293 S HA 0.277 4.747 4.470 0.001 0.000 0.265 293 S C 1.040 175.678 174.600 0.065 0.000 1.043 293 S CA 0.213 58.419 58.200 0.011 0.000 1.245 293 S CB 1.153 64.364 63.200 0.017 0.000 1.187 293 S HN 0.411 nan 8.310 nan 0.000 0.673 294 G N 1.216 110.049 108.800 0.054 0.000 2.299 294 G HA2 -0.204 3.756 3.960 0.001 0.000 0.237 294 G HA3 -0.204 3.756 3.960 0.001 0.000 0.237 294 G C -0.268 174.689 174.900 0.094 0.000 1.027 294 G CA 0.364 45.540 45.100 0.127 0.000 0.619 294 G HN 0.570 nan 8.290 nan 0.000 0.513 295 D N 1.730 122.163 120.400 0.056 0.000 2.326 295 D HA 0.516 5.156 4.640 0.001 0.000 0.248 295 D C -2.357 173.952 176.300 0.016 0.000 1.001 295 D CA -1.076 52.937 54.000 0.023 0.000 0.961 295 D CB 2.384 43.170 40.800 -0.023 0.000 1.183 295 D HN 0.161 nan 8.370 nan 0.000 0.502 296 P HA 0.189 nan 4.420 nan 0.000 0.276 296 P C -0.064 177.253 177.300 0.029 0.000 1.244 296 P CA -0.312 62.782 63.100 -0.010 0.000 0.801 296 P CB 0.939 32.623 31.700 -0.027 0.000 1.006 297 G N 1.002 109.817 108.800 0.025 0.000 2.525 297 G HA2 0.575 4.535 3.960 0.001 0.000 0.287 297 G HA3 0.575 4.535 3.960 0.001 0.000 0.287 297 G C -0.844 174.021 174.900 -0.059 0.000 1.350 297 G CA -0.835 44.262 45.100 -0.006 0.000 1.039 297 G HN 0.435 nan 8.290 nan 0.000 0.513 298 L N -0.114 121.004 121.223 -0.174 0.000 2.362 298 L HA 0.644 4.984 4.340 0.001 0.000 0.275 298 L C -0.057 176.540 176.870 -0.455 0.000 0.998 298 L CA -0.964 53.702 54.840 -0.289 0.000 0.820 298 L CB 2.257 43.949 42.059 -0.612 0.000 1.270 298 L HN 0.557 nan 8.230 nan 0.000 0.415 299 A N 3.005 125.679 122.820 -0.243 0.000 2.360 299 A HA 0.638 4.959 4.320 0.001 0.000 0.309 299 A C -0.815 176.753 177.584 -0.027 0.000 1.311 299 A CA -0.383 51.537 52.037 -0.195 0.000 0.805 299 A CB 0.037 19.011 19.000 -0.043 0.000 1.144 299 A HN 0.497 nan 8.150 nan 0.000 0.486 300 F N 3.630 123.645 119.950 0.108 0.000 2.661 300 F HA 0.180 4.707 4.527 0.001 0.000 0.356 300 F C 1.204 177.052 175.800 0.079 0.000 1.244 300 F CA -0.556 57.499 58.000 0.091 0.000 1.290 300 F CB -0.464 38.537 39.000 0.002 0.000 1.677 300 F HN 0.565 nan 8.300 nan 0.000 0.649 301 L N 0.805 122.170 121.223 0.236 0.000 2.141 301 L HA -0.089 4.251 4.340 0.001 0.000 0.209 301 L C 2.602 179.519 176.870 0.078 0.000 1.094 301 L CA 1.264 56.175 54.840 0.117 0.000 0.763 301 L CB -0.836 41.270 42.059 0.079 0.000 0.908 301 L HN 0.620 nan 8.230 nan 0.000 0.437 302 G N 0.057 108.922 108.800 0.109 0.000 2.446 302 G HA2 -0.348 3.612 3.960 0.001 0.000 0.217 302 G HA3 -0.348 3.612 3.960 0.001 0.000 0.217 302 G C 1.483 176.369 174.900 -0.024 0.000 1.168 302 G CA 1.058 46.171 45.100 0.022 0.000 0.771 302 G HN 0.361 nan 8.290 nan 0.000 0.551 303 E N 0.173 120.411 120.200 0.064 0.000 2.110 303 E HA -0.049 4.302 4.350 0.001 0.000 0.193 303 E C 2.581 179.266 176.600 0.141 0.000 0.988 303 E CA 0.992 57.443 56.400 0.085 0.000 0.804 303 E CB -0.295 29.494 29.700 0.147 0.000 0.745 303 E HN 0.504 nan 8.360 nan 0.000 0.458 304 M N 0.041 119.713 119.600 0.120 0.000 2.086 304 M HA -0.132 4.349 4.480 0.001 0.000 0.261 304 M C 1.884 178.223 176.300 0.065 0.000 1.067 304 M CA 1.310 56.676 55.300 0.110 0.000 1.116 304 M CB -0.304 32.327 32.600 0.051 0.000 1.348 304 M HN 0.094 nan 8.290 nan 0.000 0.407 305 N N 0.500 119.155 118.700 -0.074 0.000 2.188 305 N HA -0.143 4.597 4.740 0.001 0.000 0.184 305 N C 1.514 176.806 175.510 -0.363 0.000 1.018 305 N CA 1.033 53.916 53.050 -0.279 0.000 0.858 305 N CB -0.354 37.707 38.487 -0.711 0.000 0.989 305 N HN 0.331 nan 8.380 nan 0.000 0.426 306 K N 0.038 120.241 120.400 -0.328 0.000 2.127 306 K HA -0.206 4.114 4.320 0.001 0.000 0.212 306 K C 0.662 177.053 176.600 -0.349 0.000 1.050 306 K CA 1.637 57.693 56.287 -0.386 0.000 0.929 306 K CB -0.103 32.052 32.500 -0.575 0.000 0.715 306 K HN 0.224 nan 8.250 nan 0.000 0.457 307 Y N -1.781 118.585 120.300 0.109 0.000 2.531 307 Y HA 0.133 4.683 4.550 0.001 0.000 0.249 307 Y C -0.393 175.727 175.900 0.367 0.000 1.168 307 Y CA -0.772 57.444 58.100 0.193 0.000 1.226 307 Y CB 0.318 38.816 38.460 0.063 0.000 1.177 307 Y HN 0.020 nan 8.280 nan 0.000 0.527 308 Y N 2.962 123.395 120.300 0.221 0.000 2.365 308 Y HA 0.342 4.892 4.550 0.001 0.000 0.340 308 Y C -1.908 174.024 175.900 0.054 0.000 1.016 308 Y CA -4.320 53.877 58.100 0.162 0.000 1.196 308 Y CB 1.320 39.846 38.460 0.109 0.000 1.167 308 Y HN -0.040 nan 8.280 nan 0.000 0.509 309 P HA -0.155 nan 4.420 nan 0.000 0.218 309 P C 0.759 177.717 177.300 -0.570 0.000 1.146 309 P CA 1.768 64.547 63.100 -0.536 0.000 0.813 309 P CB 0.239 31.853 31.700 -0.144 0.000 0.778 310 L N -4.502 116.221 121.223 -0.833 0.000 2.808 310 L HA 0.200 4.540 4.340 0.001 0.000 0.246 310 L C 0.658 177.224 176.870 -0.507 0.000 1.153 310 L CA -0.673 53.755 54.840 -0.687 0.000 0.956 310 L CB -0.214 41.485 42.059 -0.600 0.000 1.270 310 L HN -0.063 nan 8.230 nan 0.000 0.528 311 Y N 3.295 123.243 120.300 -0.587 0.000 2.411 311 Y HA 0.148 4.698 4.550 0.001 0.000 0.333 311 Y C -1.383 174.475 175.900 -0.070 0.000 1.186 311 Y CA -1.607 56.384 58.100 -0.181 0.000 1.381 311 Y CB 0.935 39.383 38.460 -0.020 0.000 1.273 311 Y HN -0.091 nan 8.280 nan 0.000 0.546 312 P HA -0.035 nan 4.420 nan 0.000 0.255 312 P C 0.793 177.864 177.300 -0.382 0.000 1.248 312 P CA 1.077 63.603 63.100 -0.955 0.000 0.807 312 P CB 0.087 31.222 31.700 -0.941 0.000 1.150 313 H N 0.506 119.413 119.070 -0.273 0.000 2.267 313 H HA -0.103 4.454 4.556 0.001 0.000 0.291 313 H C 0.887 176.168 175.328 -0.078 0.000 1.094 313 H CA 1.374 57.330 56.048 -0.154 0.000 1.227 313 H CB -0.019 29.658 29.762 -0.141 0.000 1.351 313 H HN 0.155 nan 8.280 nan 0.000 0.483 314 R N 0.424 120.976 120.500 0.086 0.000 2.856 314 R HA 0.386 4.726 4.340 0.001 0.000 0.258 314 R C -0.369 176.141 176.300 0.351 0.000 1.066 314 R CA -0.625 55.590 56.100 0.191 0.000 1.045 314 R CB 1.627 32.078 30.300 0.252 0.000 1.178 314 R HN 0.178 nan 8.270 nan 0.000 0.499 315 K N 1.058 121.705 120.400 0.412 0.000 2.546 315 K HA 0.385 4.705 4.320 0.001 0.000 0.264 315 K C -1.063 175.681 176.600 0.241 0.000 0.937 315 K CA -0.704 55.855 56.287 0.452 0.000 0.833 315 K CB 1.910 34.631 32.500 0.368 0.000 1.378 315 K HN 0.323 nan 8.250 nan 0.000 0.432 316 I N 2.609 123.254 120.570 0.125 0.000 2.312 316 I HA 0.091 4.261 4.170 0.001 0.000 0.291 316 I C 0.466 176.580 176.117 -0.005 0.000 1.031 316 I CA -0.382 60.884 61.300 -0.057 0.000 1.293 316 I CB 0.519 38.407 38.000 -0.186 0.000 1.403 316 I HN 0.605 nan 8.210 nan 0.000 0.484 317 N N 3.485 122.169 118.700 -0.025 0.000 2.197 317 N HA 0.104 4.844 4.740 0.001 0.000 0.201 317 N C 0.038 175.519 175.510 -0.049 0.000 1.148 317 N CA 0.165 53.199 53.050 -0.027 0.000 0.883 317 N CB 1.124 39.586 38.487 -0.042 0.000 1.012 317 N HN 0.533 nan 8.380 nan 0.000 0.507 318 S N -0.412 115.253 115.700 -0.057 0.000 2.587 318 S HA 0.435 4.905 4.470 0.001 0.000 0.269 318 S C -1.011 173.562 174.600 -0.045 0.000 1.154 318 S CA -0.543 57.627 58.200 -0.049 0.000 0.824 318 S CB 1.254 64.412 63.200 -0.069 0.000 1.118 318 S HN 0.205 nan 8.310 nan 0.000 0.462 319 T N 0.819 115.360 114.554 -0.021 0.000 2.927 319 T HA 0.586 4.936 4.350 0.001 0.000 0.286 319 T C 0.155 174.852 174.700 -0.005 0.000 1.040 319 T CA -0.891 61.197 62.100 -0.020 0.000 1.010 319 T CB 0.698 69.561 68.868 -0.009 0.000 1.177 319 T HN 0.788 nan 8.240 nan 0.000 0.546 320 N N 0.473 119.169 118.700 -0.005 0.000 2.285 320 N HA 0.176 4.917 4.740 0.001 0.000 0.262 320 N C -2.108 173.417 175.510 0.026 0.000 1.299 320 N CA -1.512 51.546 53.050 0.013 0.000 0.930 320 N CB -0.721 37.775 38.487 0.013 0.000 1.157 320 N HN 0.275 nan 8.380 nan 0.000 0.532 321 P HA 0.071 nan 4.420 nan 0.000 0.220 321 P C 0.588 177.905 177.300 0.028 0.000 1.148 321 P CA 1.058 64.181 63.100 0.038 0.000 0.803 321 P CB 0.135 31.852 31.700 0.028 0.000 0.782 322 C N -2.880 116.429 119.300 0.014 0.000 2.799 322 C HA 0.523 4.983 4.460 0.001 0.000 0.267 322 C C 1.833 176.821 174.990 -0.005 0.000 1.257 322 C CA 0.534 59.552 59.018 0.000 0.000 1.702 322 C CB -1.125 26.609 27.740 -0.010 0.000 1.934 322 C HN 0.422 nan 8.230 nan 0.000 0.594 323 G N 1.645 110.444 108.800 -0.001 0.000 2.179 323 G HA2 -0.209 3.752 3.960 0.001 0.000 0.220 323 G HA3 -0.209 3.752 3.960 0.001 0.000 0.220 323 G C 0.825 175.718 174.900 -0.011 0.000 0.990 323 G CA 0.502 45.598 45.100 -0.006 0.000 0.646 323 G HN 0.586 nan 8.290 nan 0.000 0.517 324 E N 0.216 120.408 120.200 -0.013 0.000 2.400 324 E HA 0.171 4.521 4.350 0.001 0.000 0.195 324 E C 0.731 177.325 176.600 -0.011 0.000 1.012 324 E CA 0.369 56.761 56.400 -0.014 0.000 0.875 324 E CB 0.289 29.976 29.700 -0.022 0.000 0.859 324 E HN 0.448 nan 8.360 nan 0.000 0.498 325 I N 1.963 122.521 120.570 -0.020 0.000 2.406 325 I HA 0.404 4.575 4.170 0.001 0.000 0.290 325 I C 0.372 176.461 176.117 -0.047 0.000 0.999 325 I CA -0.738 60.543 61.300 -0.032 0.000 1.124 325 I CB 1.315 39.289 38.000 -0.043 0.000 1.289 325 I HN -0.084 nan 8.210 nan 0.000 0.441 326 G N 6.984 115.746 108.800 -0.063 0.000 2.338 326 G HA2 0.638 4.599 3.960 0.001 0.000 0.298 326 G HA3 0.638 4.599 3.960 0.001 0.000 0.298 326 G C -0.710 174.090 174.900 -0.166 0.000 1.140 326 G CA -0.346 44.695 45.100 -0.098 0.000 0.860 326 G HN 0.490 nan 8.290 nan 0.000 0.470 327 L N 1.825 122.956 121.223 -0.153 0.000 2.381 327 L HA 0.452 4.792 4.340 0.001 0.000 0.268 327 L C 0.744 177.526 176.870 -0.147 0.000 0.997 327 L CA -0.963 53.782 54.840 -0.159 0.000 0.818 327 L CB 2.425 44.416 42.059 -0.115 0.000 1.310 327 L HN 0.692 nan 8.230 nan 0.000 0.416 328 S N -0.204 115.424 115.700 -0.120 0.000 2.614 328 S HA 0.220 4.690 4.470 0.001 0.000 0.265 328 S C -0.295 174.286 174.600 -0.031 0.000 1.303 328 S CA -0.948 57.247 58.200 -0.009 0.000 1.000 328 S CB 0.744 64.033 63.200 0.148 0.000 0.935 328 S HN 0.500 nan 8.310 nan 0.000 0.551 329 D N 1.387 121.763 120.400 -0.041 0.000 2.531 329 D HA 0.032 4.673 4.640 0.001 0.000 0.239 329 D C 0.033 176.269 176.300 -0.108 0.000 1.144 329 D CA 1.012 54.896 54.000 -0.193 0.000 0.869 329 D CB -0.526 40.163 40.800 -0.186 0.000 1.160 329 D HN 0.680 nan 8.370 nan 0.000 0.484 330 Y N -1.306 118.997 120.300 0.005 0.000 4.841 330 Y HA -0.270 4.281 4.550 0.001 0.000 0.242 330 Y C 0.781 176.639 175.900 -0.069 0.000 1.002 330 Y CA 0.599 58.694 58.100 -0.009 0.000 2.011 330 Y CB -2.029 36.431 38.460 -0.001 0.000 1.554 330 Y HN 0.465 nan 8.280 nan 0.000 0.618 331 E N 0.811 121.014 120.200 0.005 0.000 2.313 331 E HA 0.644 4.994 4.350 0.001 0.000 0.276 331 E C 0.238 176.716 176.600 -0.203 0.000 1.031 331 E CA 0.361 56.715 56.400 -0.078 0.000 0.857 331 E CB 0.948 30.616 29.700 -0.052 0.000 1.040 331 E HN 0.336 nan 8.360 nan 0.000 0.408 332 A N 2.764 125.365 122.820 -0.365 0.000 2.313 332 A HA 0.611 4.932 4.320 0.001 0.000 0.323 332 A C -1.240 176.162 177.584 -0.303 0.000 1.133 332 A CA -0.608 51.085 52.037 -0.572 0.000 0.847 332 A CB 1.661 19.989 19.000 -1.119 0.000 1.308 332 A HN 0.685 nan 8.150 nan 0.000 0.475 333 C N 1.734 120.871 119.300 -0.271 0.000 2.608 333 C HA 0.630 5.091 4.460 0.001 0.000 0.325 333 C C -1.227 173.722 174.990 -0.068 0.000 1.147 333 C CA -1.045 57.903 59.018 -0.117 0.000 1.359 333 C CB 0.878 28.564 27.740 -0.090 0.000 1.912 333 C HN 0.969 nan 8.230 nan 0.000 0.466 334 N N 5.881 124.581 118.700 -0.000 0.000 2.473 334 N HA 0.659 5.400 4.740 0.001 0.000 0.291 334 N C -1.179 174.358 175.510 0.046 0.000 1.083 334 N CA -0.343 52.727 53.050 0.033 0.000 0.951 334 N CB 1.176 39.701 38.487 0.064 0.000 1.164 334 N HN 0.716 nan 8.380 nan 0.000 0.480 335 L N -0.026 121.223 121.223 0.043 0.000 2.303 335 L HA 0.867 5.208 4.340 0.001 0.000 0.266 335 L C 0.569 177.455 176.870 0.027 0.000 1.011 335 L CA -1.152 53.709 54.840 0.034 0.000 0.818 335 L CB 2.155 44.212 42.059 -0.004 0.000 1.326 335 L HN 0.798 nan 8.230 nan 0.000 0.435 336 G N -0.399 108.405 108.800 0.007 0.000 2.673 336 G HA2 0.574 4.535 3.960 0.001 0.000 0.292 336 G HA3 0.574 4.535 3.960 0.001 0.000 0.292 336 G C -1.849 172.948 174.900 -0.172 0.000 1.450 336 G CA -0.300 44.674 45.100 -0.210 0.000 0.837 336 G HN 0.394 nan 8.290 nan 0.000 0.505 337 S N -0.211 115.254 115.700 -0.393 0.000 2.521 337 S HA 0.570 5.041 4.470 0.001 0.000 0.295 337 S C -0.251 174.282 174.600 -0.112 0.000 1.098 337 S CA -0.451 57.649 58.200 -0.168 0.000 0.999 337 S CB 1.340 64.449 63.200 -0.151 0.000 1.034 337 S HN 0.515 nan 8.310 nan 0.000 0.483 338 I N 2.425 123.026 120.570 0.051 0.000 2.371 338 I HA 0.150 4.321 4.170 0.001 0.000 0.290 338 I C 0.011 176.150 176.117 0.037 0.000 1.028 338 I CA -0.425 60.932 61.300 0.095 0.000 1.345 338 I CB 0.780 38.824 38.000 0.073 0.000 1.407 338 I HN 0.517 nan 8.210 nan 0.000 0.501 339 D N 6.520 126.942 120.400 0.037 0.000 2.398 339 D HA 0.024 4.664 4.640 0.001 0.000 0.250 339 D C 1.200 177.566 176.300 0.110 0.000 1.287 339 D CA -0.163 53.842 54.000 0.010 0.000 0.992 339 D CB 0.835 41.575 40.800 -0.100 0.000 1.071 339 D HN 0.386 nan 8.370 nan 0.000 0.514 340 V N 2.304 122.287 119.914 0.116 0.000 2.913 340 V HA -0.100 4.021 4.120 0.001 0.000 0.260 340 V C 1.993 178.223 176.094 0.226 0.000 1.098 340 V CA 1.428 63.829 62.300 0.169 0.000 1.121 340 V CB -0.830 31.088 31.823 0.159 0.000 0.714 340 V HN 0.421 nan 8.190 nan 0.000 0.487 341 A N 0.765 123.658 122.820 0.123 0.000 1.968 341 A HA -0.063 4.258 4.320 0.001 0.000 0.217 341 A C 2.254 179.888 177.584 0.083 0.000 1.169 341 A CA 1.520 53.610 52.037 0.087 0.000 0.638 341 A CB -0.460 18.543 19.000 0.005 0.000 0.812 341 A HN 0.591 nan 8.150 nan 0.000 0.446 342 K N -1.163 119.180 120.400 -0.095 0.000 2.360 342 K HA -0.076 4.244 4.320 0.001 0.000 0.201 342 K C 0.700 177.252 176.600 -0.080 0.000 1.046 342 K CA 1.036 57.112 56.287 -0.353 0.000 0.945 342 K CB -0.271 31.574 32.500 -1.092 0.000 0.750 342 K HN 0.530 nan 8.250 nan 0.000 0.464 343 F N -0.193 119.765 119.950 0.013 0.000 2.797 343 F HA 0.038 4.566 4.527 0.001 0.000 0.302 343 F C 0.806 176.631 175.800 0.042 0.000 1.130 343 F CA -0.559 57.464 58.000 0.037 0.000 1.387 343 F CB -0.369 38.637 39.000 0.010 0.000 1.107 343 F HN -0.027 nan 8.300 nan 0.000 0.577 344 Y N 2.418 122.795 120.300 0.127 0.000 2.544 344 Y HA 0.163 4.714 4.550 0.001 0.000 0.330 344 Y C 0.071 175.974 175.900 0.006 0.000 1.136 344 Y CA -0.146 57.984 58.100 0.051 0.000 1.417 344 Y CB 0.078 38.583 38.460 0.075 0.000 1.229 344 Y HN 0.086 nan 8.280 nan 0.000 0.532 345 N N 4.931 123.201 118.700 -0.716 0.000 2.406 345 N HA 0.147 4.888 4.740 0.001 0.000 0.283 345 N C -1.481 173.619 175.510 -0.683 0.000 1.074 345 N CA -0.515 52.199 53.050 -0.561 0.000 0.916 345 N CB 0.948 39.251 38.487 -0.307 0.000 1.639 345 N HN 0.991 nan 8.380 nan 0.000 0.485 346 N N 2.076 120.535 118.700 -0.402 0.000 2.725 346 N HA -0.227 4.513 4.740 0.001 0.000 0.251 346 N C 0.669 176.130 175.510 -0.081 0.000 1.031 346 N CA 0.751 53.719 53.050 -0.137 0.000 0.720 346 N CB -0.901 37.600 38.487 0.023 0.000 0.930 346 N HN 0.974 nan 8.380 nan 0.000 0.543 347 G N -1.001 107.588 108.800 -0.351 0.000 2.179 347 G HA2 -0.322 3.639 3.960 0.001 0.000 0.260 347 G HA3 -0.322 3.639 3.960 0.001 0.000 0.260 347 G C 0.013 174.970 174.900 0.095 0.000 0.977 347 G CA 0.937 46.036 45.100 -0.001 0.000 0.641 347 G HN 0.800 nan 8.290 nan 0.000 0.533 348 F N -1.741 118.009 119.950 -0.334 0.000 2.824 348 F HA 0.838 5.366 4.527 0.001 0.000 0.330 348 F C -0.461 175.280 175.800 -0.098 0.000 1.175 348 F CA -2.131 55.806 58.000 -0.105 0.000 0.974 348 F CB 0.976 39.957 39.000 -0.032 0.000 1.430 348 F HN 0.150 nan 8.300 nan 0.000 0.507 349 V N 1.608 121.502 119.914 -0.034 0.000 2.407 349 V HA 0.202 4.323 4.120 0.001 0.000 0.278 349 V C -0.636 175.321 176.094 -0.229 0.000 1.037 349 V CA -0.438 61.823 62.300 -0.065 0.000 0.900 349 V CB 1.039 32.954 31.823 0.154 0.000 0.983 349 V HN 0.722 nan 8.190 nan 0.000 0.459 350 D N 4.571 124.852 120.400 -0.198 0.000 2.498 350 D HA 0.125 4.765 4.640 0.001 0.000 0.229 350 D C 1.082 177.401 176.300 0.032 0.000 1.188 350 D CA 0.220 54.156 54.000 -0.106 0.000 1.028 350 D CB 0.481 41.254 40.800 -0.045 0.000 1.087 350 D HN 0.490 nan 8.370 nan 0.000 0.510 351 L N 1.956 123.137 121.223 -0.070 0.000 2.201 351 L HA -0.103 4.237 4.340 0.001 0.000 0.212 351 L C 2.262 179.168 176.870 0.060 0.000 1.105 351 L CA 0.796 55.502 54.840 -0.223 0.000 0.775 351 L CB -0.123 41.628 42.059 -0.513 0.000 0.913 351 L HN 0.427 nan 8.230 nan 0.000 0.440 352 E N 0.671 120.937 120.200 0.110 0.000 2.017 352 E HA -0.257 4.094 4.350 0.001 0.000 0.193 352 E C 2.247 178.939 176.600 0.153 0.000 0.997 352 E CA 1.358 57.840 56.400 0.135 0.000 0.804 352 E CB -0.034 29.734 29.700 0.112 0.000 0.757 352 E HN 0.416 nan 8.360 nan 0.000 0.448 353 A N 1.092 124.028 122.820 0.193 0.000 1.902 353 A HA -0.171 4.150 4.320 0.001 0.000 0.217 353 A C 2.173 180.018 177.584 0.434 0.000 1.181 353 A CA 1.394 53.603 52.037 0.286 0.000 0.623 353 A CB -0.768 18.391 19.000 0.265 0.000 0.818 353 A HN 0.404 nan 8.150 nan 0.000 0.443 354 L N 0.027 121.455 121.223 0.343 0.000 1.989 354 L HA -0.258 4.082 4.340 0.001 0.000 0.211 354 L C 2.612 179.506 176.870 0.041 0.000 1.071 354 L CA 2.805 57.559 54.840 -0.144 0.000 0.749 354 L CB -0.925 40.926 42.059 -0.347 0.000 0.890 354 L HN 0.648 nan 8.230 nan 0.000 0.431 355 Q N -0.535 119.361 119.800 0.160 0.000 2.096 355 Q HA -0.305 4.036 4.340 0.001 0.000 0.208 355 Q C 2.025 177.999 176.000 -0.043 0.000 0.993 355 Q CA 2.547 58.316 55.803 -0.056 0.000 0.862 355 Q CB -0.259 28.342 28.738 -0.229 0.000 0.915 355 Q HN 0.694 nan 8.270 nan 0.000 0.416 356 E N 0.002 120.229 120.200 0.046 0.000 2.058 356 E HA -0.220 4.131 4.350 0.001 0.000 0.194 356 E C 2.057 178.725 176.600 0.113 0.000 0.997 356 E CA 1.302 57.753 56.400 0.086 0.000 0.801 356 E CB -0.172 29.600 29.700 0.120 0.000 0.746 356 E HN 0.325 nan 8.360 nan 0.000 0.450 357 L N 0.607 121.917 121.223 0.145 0.000 2.156 357 L HA -0.113 4.227 4.340 0.001 0.000 0.208 357 L C 2.170 179.057 176.870 0.029 0.000 1.095 357 L CA 1.027 55.945 54.840 0.129 0.000 0.770 357 L CB -0.072 42.137 42.059 0.249 0.000 0.914 357 L HN -0.064 nan 8.230 nan 0.000 0.439 358 V N -0.315 119.600 119.914 0.002 0.000 2.287 358 V HA -0.382 3.739 4.120 0.001 0.000 0.248 358 V C 2.534 178.625 176.094 -0.006 0.000 1.053 358 V CA 2.208 64.499 62.300 -0.014 0.000 1.027 358 V CB -0.665 31.149 31.823 -0.014 0.000 0.646 358 V HN 0.570 nan 8.190 nan 0.000 0.447 359 Q N -0.543 119.273 119.800 0.025 0.000 2.030 359 Q HA -0.191 4.149 4.340 0.001 0.000 0.204 359 Q C 2.229 178.276 176.000 0.078 0.000 0.986 359 Q CA 2.094 57.931 55.803 0.057 0.000 0.843 359 Q CB -0.318 28.472 28.738 0.086 0.000 0.904 359 Q HN 0.587 nan 8.270 nan 0.000 0.420 360 I N 0.712 121.359 120.570 0.128 0.000 2.163 360 I HA -0.310 3.860 4.170 0.001 0.000 0.243 360 I C 2.427 178.551 176.117 0.011 0.000 1.085 360 I CA 1.186 62.608 61.300 0.202 0.000 1.347 360 I CB -0.439 37.724 38.000 0.271 0.000 1.044 360 I HN 0.185 nan 8.210 nan 0.000 0.408 361 A N 0.223 122.915 122.820 -0.212 0.000 1.930 361 A HA -0.118 4.202 4.320 0.001 0.000 0.217 361 A C 2.417 179.846 177.584 -0.257 0.000 1.175 361 A CA 1.573 53.255 52.037 -0.593 0.000 0.627 361 A CB -0.880 17.732 19.000 -0.647 0.000 0.815 361 A HN 0.254 nan 8.150 nan 0.000 0.443 362 V N -0.114 119.736 119.914 -0.107 0.000 2.427 362 V HA -0.228 3.892 4.120 0.001 0.000 0.248 362 V C 2.605 178.666 176.094 -0.056 0.000 1.051 362 V CA 2.194 64.460 62.300 -0.057 0.000 1.048 362 V CB -0.796 31.000 31.823 -0.046 0.000 0.666 362 V HN 0.634 nan 8.190 nan 0.000 0.456 363 R N -0.752 119.711 120.500 -0.061 0.000 2.075 363 R HA -0.166 4.174 4.340 0.001 0.000 0.232 363 R C 2.297 178.554 176.300 -0.072 0.000 1.126 363 R CA 1.771 57.810 56.100 -0.102 0.000 0.963 363 R CB -0.385 29.780 30.300 -0.225 0.000 0.858 363 R HN 0.459 nan 8.270 nan 0.000 0.435 364 F N 1.460 121.245 119.950 -0.276 0.000 2.065 364 F HA -0.241 4.286 4.527 0.001 0.000 0.298 364 F C 1.804 177.440 175.800 -0.273 0.000 1.112 364 F CA 1.772 59.441 58.000 -0.552 0.000 1.212 364 F CB -0.307 38.201 39.000 -0.820 0.000 0.975 364 F HN -0.012 nan 8.300 nan 0.000 0.476 365 L N -0.317 121.005 121.223 0.165 0.000 2.141 365 L HA -0.168 4.172 4.340 0.001 0.000 0.209 365 L C 2.063 178.943 176.870 0.017 0.000 1.094 365 L CA 1.639 56.580 54.840 0.167 0.000 0.763 365 L CB -0.830 41.343 42.059 0.191 0.000 0.908 365 L HN 0.149 nan 8.230 nan 0.000 0.437 366 D N 0.031 120.413 120.400 -0.030 0.000 2.178 366 D HA -0.168 4.472 4.640 0.001 0.000 0.202 366 D C 1.910 178.165 176.300 -0.075 0.000 0.974 366 D CA 0.921 54.891 54.000 -0.049 0.000 0.841 366 D CB 0.154 40.918 40.800 -0.061 0.000 0.953 366 D HN 0.143 nan 8.370 nan 0.000 0.478 367 N N -0.547 118.072 118.700 -0.136 0.000 2.270 367 N HA -0.090 4.650 4.740 0.001 0.000 0.181 367 N C 1.820 177.239 175.510 -0.151 0.000 1.016 367 N CA 0.465 53.424 53.050 -0.152 0.000 0.870 367 N CB -0.255 38.109 38.487 -0.205 0.000 0.979 367 N HN 0.096 nan 8.380 nan 0.000 0.431 368 V N 1.610 121.403 119.914 -0.203 0.000 2.282 368 V HA -0.256 3.864 4.120 0.001 0.000 0.249 368 V C 2.132 178.198 176.094 -0.047 0.000 1.057 368 V CA 1.387 63.605 62.300 -0.135 0.000 1.032 368 V CB -0.565 31.205 31.823 -0.088 0.000 0.645 368 V HN 0.253 nan 8.190 nan 0.000 0.447 369 I N 0.423 120.988 120.570 -0.008 0.000 2.181 369 I HA -0.336 3.834 4.170 0.001 0.000 0.247 369 I C 2.144 178.286 176.117 0.041 0.000 1.081 369 I CA 1.986 63.312 61.300 0.044 0.000 1.340 369 I CB -0.575 37.465 38.000 0.067 0.000 1.036 369 I HN 0.361 nan 8.210 nan 0.000 0.417 370 D N -0.110 120.308 120.400 0.030 0.000 2.312 370 D HA -0.077 4.564 4.640 0.001 0.000 0.211 370 D C 1.841 178.211 176.300 0.115 0.000 0.964 370 D CA 1.365 55.408 54.000 0.072 0.000 0.877 370 D CB 0.038 40.867 40.800 0.048 0.000 0.924 370 D HN 0.442 nan 8.370 nan 0.000 0.515 371 V N -2.742 117.209 119.914 0.062 0.000 3.477 371 V HA 0.217 4.337 4.120 0.001 0.000 0.297 371 V C 0.600 176.725 176.094 0.052 0.000 1.433 371 V CA -0.678 61.663 62.300 0.067 0.000 1.052 371 V CB -0.153 31.734 31.823 0.107 0.000 0.895 371 V HN -0.138 nan 8.190 nan 0.000 0.438 372 N N 1.456 120.140 118.700 -0.027 0.000 2.518 372 N HA 0.336 5.076 4.740 0.001 0.000 0.266 372 N C -0.795 174.563 175.510 -0.254 0.000 1.196 372 N CA 0.290 53.240 53.050 -0.168 0.000 0.947 372 N CB 1.724 40.003 38.487 -0.346 0.000 1.098 372 N HN 0.231 nan 8.380 nan 0.000 0.450 373 V N 4.477 124.227 119.914 -0.274 0.000 2.483 373 V HA 0.445 4.566 4.120 0.001 0.000 0.297 373 V C -0.422 175.522 176.094 -0.250 0.000 1.027 373 V CA -0.676 61.505 62.300 -0.198 0.000 0.855 373 V CB 0.663 32.462 31.823 -0.039 0.000 0.995 373 V HN 0.445 nan 8.190 nan 0.000 0.424 374 F N 5.161 125.193 119.950 0.137 0.000 2.432 374 F HA 0.522 5.050 4.527 0.001 0.000 0.329 374 F C -1.204 174.674 175.800 0.129 0.000 1.076 374 F CA -1.863 56.241 58.000 0.173 0.000 1.018 374 F CB 1.852 40.972 39.000 0.200 0.000 1.201 374 F HN 0.357 nan 8.300 nan 0.000 0.489 375 P HA 0.220 nan 4.420 nan 0.000 0.255 375 P C -0.459 176.932 177.300 0.151 0.000 1.248 375 P CA 0.762 63.975 63.100 0.189 0.000 0.807 375 P CB 0.462 32.241 31.700 0.132 0.000 1.150 376 I N -0.210 120.465 120.570 0.176 0.000 2.569 376 I HA 0.210 4.380 4.170 0.001 0.000 0.290 376 I C 0.689 176.865 176.117 0.099 0.000 1.088 376 I CA -0.578 60.788 61.300 0.109 0.000 1.047 376 I CB 2.386 40.448 38.000 0.103 0.000 1.237 376 I HN -0.399 nan 8.210 nan 0.000 0.421 377 D N 3.601 124.027 120.400 0.044 0.000 2.178 377 D HA -0.107 4.533 4.640 0.001 0.000 0.202 377 D C 1.641 177.927 176.300 -0.024 0.000 0.974 377 D CA 1.365 55.382 54.000 0.029 0.000 0.841 377 D CB 0.204 41.007 40.800 0.006 0.000 0.953 377 D HN 0.483 nan 8.370 nan 0.000 0.478 378 K N 0.364 120.689 120.400 -0.125 0.000 2.057 378 K HA -0.065 4.255 4.320 0.001 0.000 0.207 378 K C 2.294 178.831 176.600 -0.105 0.000 1.049 378 K CA 0.716 56.846 56.287 -0.260 0.000 0.931 378 K CB -0.067 31.956 32.500 -0.796 0.000 0.714 378 K HN 0.177 nan 8.250 nan 0.000 0.440 379 I N 0.889 121.443 120.570 -0.027 0.000 2.179 379 I HA -0.282 3.889 4.170 0.001 0.000 0.242 379 I C 2.279 178.279 176.117 -0.195 0.000 1.088 379 I CA 1.285 62.527 61.300 -0.096 0.000 1.357 379 I CB -0.689 37.219 38.000 -0.154 0.000 1.051 379 I HN 0.163 nan 8.210 nan 0.000 0.409 380 T N 0.655 115.207 114.554 -0.003 0.000 2.665 380 T HA -0.273 4.077 4.350 0.001 0.000 0.268 380 T C 1.976 176.738 174.700 0.103 0.000 1.035 380 T CA 1.753 63.962 62.100 0.182 0.000 1.151 380 T CB -0.216 68.790 68.868 0.229 0.000 0.862 380 T HN 0.318 nan 8.240 nan 0.000 0.438 381 K N 0.684 121.115 120.400 0.051 0.000 2.057 381 K HA 0.032 4.352 4.320 0.001 0.000 0.206 381 K C 2.559 179.188 176.600 0.049 0.000 1.050 381 K CA 1.097 57.412 56.287 0.047 0.000 0.935 381 K CB -0.299 32.214 32.500 0.020 0.000 0.715 381 K HN 0.272 nan 8.250 nan 0.000 0.439 382 A N 0.808 123.648 122.820 0.033 0.000 1.940 382 A HA -0.117 4.203 4.320 0.001 0.000 0.219 382 A C 2.222 179.831 177.584 0.040 0.000 1.176 382 A CA 1.634 53.703 52.037 0.054 0.000 0.631 382 A CB -0.606 18.442 19.000 0.079 0.000 0.814 382 A HN 0.178 nan 8.150 nan 0.000 0.446 383 V N 0.100 120.013 119.914 -0.003 0.000 2.270 383 V HA -0.267 3.853 4.120 0.001 0.000 0.245 383 V C 2.405 178.555 176.094 0.093 0.000 1.043 383 V CA 2.322 64.639 62.300 0.029 0.000 1.014 383 V CB -0.713 31.137 31.823 0.045 0.000 0.645 383 V HN 0.554 nan 8.190 nan 0.000 0.447 384 K N -0.082 120.387 120.400 0.115 0.000 2.160 384 K HA -0.222 4.099 4.320 0.001 0.000 0.206 384 K C 2.045 178.720 176.600 0.125 0.000 1.047 384 K CA 1.741 58.097 56.287 0.115 0.000 0.930 384 K CB -0.198 32.365 32.500 0.105 0.000 0.720 384 K HN 0.581 nan 8.250 nan 0.000 0.450 385 E N -0.189 120.086 120.200 0.125 0.000 2.208 385 E HA -0.060 4.290 4.350 0.001 0.000 0.193 385 E C 1.603 178.374 176.600 0.286 0.000 0.988 385 E CA 0.860 57.358 56.400 0.162 0.000 0.828 385 E CB 0.256 30.032 29.700 0.126 0.000 0.763 385 E HN 0.141 nan 8.360 nan 0.000 0.478 386 S N -0.685 115.141 115.700 0.210 0.000 2.564 386 S HA 0.111 4.582 4.470 0.001 0.000 0.231 386 S C 0.223 174.786 174.600 -0.061 0.000 1.067 386 S CA -0.381 57.904 58.200 0.141 0.000 0.908 386 S CB 0.549 63.809 63.200 0.100 0.000 0.809 386 S HN 0.134 nan 8.310 nan 0.000 0.491 387 R N 1.547 122.057 120.500 0.017 0.000 3.333 387 R HA -0.146 4.194 4.340 0.001 0.000 0.256 387 R C -0.192 176.064 176.300 -0.073 0.000 1.010 387 R CA 0.245 56.340 56.100 -0.009 0.000 0.680 387 R CB -1.520 28.791 30.300 0.019 0.000 1.102 387 R HN 0.329 nan 8.270 nan 0.000 0.440 388 R N 1.451 121.916 120.500 -0.059 0.000 2.449 388 R HA 0.229 4.570 4.340 0.001 0.000 0.296 388 R C 0.014 176.294 176.300 -0.034 0.000 1.047 388 R CA 0.219 56.284 56.100 -0.058 0.000 1.018 388 R CB 0.448 30.725 30.300 -0.038 0.000 0.962 388 R HN 0.200 nan 8.270 nan 0.000 0.428 389 L N 2.093 123.297 121.223 -0.032 0.000 2.303 389 L HA 0.575 4.916 4.340 0.001 0.000 0.266 389 L C 0.767 177.642 176.870 0.008 0.000 1.011 389 L CA -1.026 53.810 54.840 -0.007 0.000 0.818 389 L CB 2.114 44.166 42.059 -0.011 0.000 1.326 389 L HN 0.770 nan 8.230 nan 0.000 0.435 390 G N 1.647 110.464 108.800 0.028 0.000 4.713 390 G HA2 0.421 4.381 3.960 0.001 0.000 0.318 390 G HA3 0.421 4.381 3.960 0.001 0.000 0.318 390 G C -1.098 173.830 174.900 0.048 0.000 1.435 390 G CA -0.197 44.920 45.100 0.028 0.000 0.965 390 G HN 0.293 nan 8.290 nan 0.000 0.542 391 L N 2.285 123.543 121.223 0.058 0.000 2.313 391 L HA 0.778 5.118 4.340 0.001 0.000 0.282 391 L C 0.555 177.461 176.870 0.059 0.000 1.092 391 L CA 0.081 54.974 54.840 0.087 0.000 0.831 391 L CB 0.811 42.915 42.059 0.074 0.000 1.159 391 L HN 0.231 nan 8.230 nan 0.000 0.442 392 G N 5.131 113.961 108.800 0.051 0.000 3.176 392 G HA2 0.670 4.631 3.960 0.001 0.000 0.272 392 G HA3 0.670 4.631 3.960 0.001 0.000 0.272 392 G C -1.105 173.803 174.900 0.014 0.000 1.349 392 G CA -0.388 44.721 45.100 0.015 0.000 0.953 392 G HN 0.917 nan 8.290 nan 0.000 0.559 393 I N -2.255 118.307 120.570 -0.013 0.000 2.892 393 I HA 0.859 5.030 4.170 0.001 0.000 0.306 393 I C -0.255 175.845 176.117 -0.028 0.000 1.078 393 I CA -1.255 60.045 61.300 -0.001 0.000 1.032 393 I CB 2.497 40.523 38.000 0.044 0.000 1.229 393 I HN 0.785 nan 8.210 nan 0.000 0.435 394 M N 1.834 121.432 119.600 -0.004 0.000 2.948 394 M HA 0.750 5.230 4.480 0.001 0.000 0.278 394 M C 0.497 176.825 176.300 0.046 0.000 1.293 394 M CA -0.060 55.237 55.300 -0.004 0.000 0.777 394 M CB 1.606 34.174 32.600 -0.054 0.000 1.713 394 M HN 1.074 nan 8.290 nan 0.000 0.444 395 G N 0.274 109.096 108.800 0.035 0.000 2.168 395 G HA2 -0.307 3.653 3.960 0.001 0.000 0.263 395 G HA3 -0.307 3.653 3.960 0.001 0.000 0.263 395 G C 0.144 175.098 174.900 0.089 0.000 0.977 395 G CA 0.852 45.972 45.100 0.033 0.000 0.659 395 G HN 0.850 nan 8.290 nan 0.000 0.533 396 F N 1.778 121.731 119.950 0.005 0.000 2.069 396 F HA 0.082 4.609 4.527 0.001 0.000 0.298 396 F C 2.682 178.487 175.800 0.008 0.000 1.113 396 F CA 2.615 60.654 58.000 0.066 0.000 1.214 396 F CB -0.785 38.290 39.000 0.125 0.000 0.978 396 F HN 0.352 nan 8.300 nan 0.000 0.474 397 A N 0.001 122.728 122.820 -0.156 0.000 1.908 397 A HA -0.227 4.093 4.320 0.001 0.000 0.218 397 A C 1.994 179.111 177.584 -0.779 0.000 1.181 397 A CA 2.091 53.878 52.037 -0.418 0.000 0.627 397 A CB -1.142 17.668 19.000 -0.318 0.000 0.818 397 A HN 0.468 nan 8.150 nan 0.000 0.445 398 D N -0.508 119.583 120.400 -0.516 0.000 2.123 398 D HA -0.141 4.500 4.640 0.001 0.000 0.196 398 D C 1.798 177.944 176.300 -0.256 0.000 0.992 398 D CA 1.329 55.117 54.000 -0.354 0.000 0.833 398 D CB -0.442 40.293 40.800 -0.108 0.000 0.954 398 D HN 0.369 nan 8.370 nan 0.000 0.455 399 L N 0.479 121.566 121.223 -0.225 0.000 2.083 399 L HA -0.084 4.257 4.340 0.001 0.000 0.209 399 L C 1.976 178.669 176.870 -0.295 0.000 1.083 399 L CA 1.374 56.120 54.840 -0.156 0.000 0.752 399 L CB -0.453 41.616 42.059 0.016 0.000 0.899 399 L HN 0.038 nan 8.230 nan 0.000 0.433 400 L N -1.969 118.962 121.223 -0.487 0.000 2.141 400 L HA -0.194 4.146 4.340 0.001 0.000 0.209 400 L C 2.487 179.177 176.870 -0.300 0.000 1.094 400 L CA 0.658 55.200 54.840 -0.498 0.000 0.763 400 L CB -0.739 40.964 42.059 -0.593 0.000 0.908 400 L HN 0.267 nan 8.230 nan 0.000 0.437 401 Y N 1.090 121.129 120.300 -0.435 0.000 2.128 401 Y HA -0.255 4.296 4.550 0.001 0.000 0.284 401 Y C 2.591 178.213 175.900 -0.464 0.000 1.154 401 Y CA 1.027 58.778 58.100 -0.581 0.000 1.149 401 Y CB -0.730 37.402 38.460 -0.546 0.000 0.976 401 Y HN 0.151 nan 8.280 nan 0.000 0.505 402 K N -0.944 119.303 120.400 -0.255 0.000 2.057 402 K HA -0.123 4.197 4.320 0.001 0.000 0.206 402 K C 1.741 178.096 176.600 -0.409 0.000 1.050 402 K CA 0.882 56.866 56.287 -0.505 0.000 0.935 402 K CB -0.305 31.582 32.500 -1.021 0.000 0.715 402 K HN 0.084 nan 8.250 nan 0.000 0.439 403 L N 1.466 122.539 121.223 -0.249 0.000 2.551 403 L HA -0.030 4.310 4.340 0.001 0.000 0.228 403 L C -0.157 176.649 176.870 -0.105 0.000 1.153 403 L CA 1.308 56.103 54.840 -0.074 0.000 0.851 403 L CB -1.107 40.835 42.059 -0.195 0.000 0.959 403 L HN 0.262 nan 8.230 nan 0.000 0.451 404 E N -0.514 119.593 120.200 -0.155 0.000 2.442 404 E HA -0.227 4.124 4.350 0.001 0.000 0.256 404 E C -0.140 176.383 176.600 -0.128 0.000 1.095 404 E CA 0.201 56.521 56.400 -0.132 0.000 0.747 404 E CB -1.514 28.153 29.700 -0.056 0.000 1.310 404 E HN 0.344 nan 8.360 nan 0.000 0.396 405 I N 1.208 121.671 120.570 -0.178 0.000 2.362 405 I HA 0.299 4.469 4.170 0.001 0.000 0.289 405 I C -2.019 174.023 176.117 -0.125 0.000 0.994 405 I CA -2.450 58.749 61.300 -0.167 0.000 1.158 405 I CB 1.186 39.023 38.000 -0.272 0.000 1.315 405 I HN -0.191 nan 8.210 nan 0.000 0.451 406 P HA -0.064 nan 4.420 nan 0.000 0.267 406 P C 0.105 177.420 177.300 0.025 0.000 1.205 406 P CA 0.103 63.203 63.100 -0.001 0.000 0.765 406 P CB 0.612 32.319 31.700 0.011 0.000 0.828 407 Y N 4.178 124.441 120.300 -0.061 0.000 2.224 407 Y HA -0.199 4.351 4.550 0.001 0.000 0.289 407 Y C 1.159 177.049 175.900 -0.016 0.000 1.146 407 Y CA 1.544 59.613 58.100 -0.053 0.000 1.182 407 Y CB -0.313 38.104 38.460 -0.072 0.000 0.983 407 Y HN 0.325 nan 8.280 nan 0.000 0.524 408 N N 1.173 119.992 118.700 0.197 0.000 3.124 408 N HA 0.144 4.885 4.740 0.001 0.000 0.284 408 N C -1.199 174.346 175.510 0.058 0.000 1.209 408 N CA 0.529 53.652 53.050 0.122 0.000 1.149 408 N CB 0.039 38.582 38.487 0.093 0.000 1.434 408 N HN 0.230 nan 8.380 nan 0.000 0.529 409 S N -0.753 114.964 115.700 0.029 0.000 2.542 409 S HA 0.168 4.639 4.470 0.001 0.000 0.276 409 S C 0.379 174.987 174.600 0.012 0.000 1.148 409 S CA -0.772 57.438 58.200 0.017 0.000 0.886 409 S CB 1.834 65.037 63.200 0.005 0.000 1.109 409 S HN 0.139 nan 8.310 nan 0.000 0.458 410 Q N 1.546 121.357 119.800 0.019 0.000 2.084 410 Q HA -0.095 4.245 4.340 0.001 0.000 0.202 410 Q C 1.743 177.757 176.000 0.025 0.000 0.978 410 Q CA 2.471 58.287 55.803 0.022 0.000 0.844 410 Q CB -0.482 28.269 28.738 0.022 0.000 0.898 410 Q HN 0.892 nan 8.270 nan 0.000 0.426 411 E N -0.851 119.362 120.200 0.021 0.000 2.095 411 E HA -0.334 4.016 4.350 0.001 0.000 0.212 411 E C 1.680 178.309 176.600 0.049 0.000 1.044 411 E CA 1.687 58.103 56.400 0.027 0.000 0.857 411 E CB -0.347 29.355 29.700 0.003 0.000 0.764 411 E HN 0.476 nan 8.360 nan 0.000 0.462 412 A N 0.683 123.511 122.820 0.012 0.000 1.933 412 A HA -0.170 4.151 4.320 0.001 0.000 0.218 412 A C 2.128 179.787 177.584 0.125 0.000 1.175 412 A CA 1.483 53.537 52.037 0.028 0.000 0.628 412 A CB -0.381 18.565 19.000 -0.089 0.000 0.814 412 A HN 0.198 nan 8.150 nan 0.000 0.444 413 R N -0.641 119.888 120.500 0.048 0.000 2.093 413 R HA -0.058 4.282 4.340 0.001 0.000 0.224 413 R C 1.417 177.715 176.300 -0.003 0.000 1.101 413 R CA 1.173 57.282 56.100 0.016 0.000 0.979 413 R CB -0.281 30.027 30.300 0.013 0.000 0.877 413 R HN 0.447 nan 8.270 nan 0.000 0.441 414 D N 0.474 120.893 120.400 0.031 0.000 2.097 414 D HA -0.182 4.458 4.640 0.001 0.000 0.195 414 D C 1.535 177.844 176.300 0.016 0.000 0.989 414 D CA 1.055 55.065 54.000 0.018 0.000 0.827 414 D CB -0.283 40.539 40.800 0.037 0.000 0.966 414 D HN 0.083 nan 8.370 nan 0.000 0.456 415 F N 1.738 121.656 119.950 -0.054 0.000 2.102 415 F HA -0.188 4.339 4.527 0.001 0.000 0.298 415 F C 2.224 177.967 175.800 -0.094 0.000 1.105 415 F CA 1.823 59.799 58.000 -0.039 0.000 1.239 415 F CB -0.278 38.725 39.000 0.006 0.000 0.991 415 F HN -0.055 nan 8.300 nan 0.000 0.474 416 A N 0.709 123.531 122.820 0.004 0.000 1.892 416 A HA -0.176 4.145 4.320 0.001 0.000 0.218 416 A C 2.437 179.567 177.584 -0.757 0.000 1.188 416 A CA 2.295 54.031 52.037 -0.502 0.000 0.631 416 A CB -1.704 16.892 19.000 -0.672 0.000 0.822 416 A HN 0.591 nan 8.150 nan 0.000 0.447 417 A N -0.082 122.448 122.820 -0.485 0.000 1.865 417 A HA -0.243 4.077 4.320 0.001 0.000 0.217 417 A C 2.002 179.249 177.584 -0.563 0.000 1.191 417 A CA 2.078 53.861 52.037 -0.424 0.000 0.623 417 A CB -0.808 18.092 19.000 -0.165 0.000 0.826 417 A HN 0.528 nan 8.150 nan 0.000 0.444 418 N N -0.345 118.113 118.700 -0.403 0.000 2.061 418 N HA -0.176 4.565 4.740 0.001 0.000 0.193 418 N C 1.595 176.884 175.510 -0.368 0.000 1.030 418 N CA 1.694 54.567 53.050 -0.295 0.000 0.856 418 N CB -0.552 37.845 38.487 -0.149 0.000 1.023 418 N HN 0.438 nan 8.380 nan 0.000 0.424 419 L N -0.275 120.635 121.223 -0.522 0.000 2.056 419 L HA -0.002 4.338 4.340 0.001 0.000 0.207 419 L C 2.083 178.754 176.870 -0.332 0.000 1.078 419 L CA 1.512 56.072 54.840 -0.468 0.000 0.749 419 L CB -0.489 41.220 42.059 -0.583 0.000 0.901 419 L HN 0.089 nan 8.230 nan 0.000 0.433 420 M N -0.356 118.977 119.600 -0.446 0.000 2.200 420 M HA 0.055 4.536 4.480 0.001 0.000 0.265 420 M C 2.225 178.297 176.300 -0.380 0.000 1.066 420 M CA 1.706 56.807 55.300 -0.331 0.000 1.127 420 M CB -0.769 31.632 32.600 -0.332 0.000 1.379 420 M HN 0.328 nan 8.290 nan 0.000 0.420 421 A N -0.508 121.894 122.820 -0.695 0.000 1.917 421 A HA -0.227 4.093 4.320 0.001 0.000 0.219 421 A C 2.162 179.344 177.584 -0.671 0.000 1.182 421 A CA 1.939 53.488 52.037 -0.814 0.000 0.633 421 A CB -1.338 16.944 19.000 -1.197 0.000 0.819 421 A HN 0.594 nan 8.150 nan 0.000 0.448 422 F N 0.653 120.061 119.950 -0.903 0.000 2.051 422 F HA -0.171 4.356 4.527 0.001 0.000 0.296 422 F C 2.020 177.590 175.800 -0.383 0.000 1.122 422 F CA 1.937 59.411 58.000 -0.876 0.000 1.201 422 F CB -0.333 38.297 39.000 -0.615 0.000 0.978 422 F HN 0.187 nan 8.300 nan 0.000 0.472 423 I N 0.660 121.162 120.570 -0.112 0.000 2.151 423 I HA -0.388 3.782 4.170 0.001 0.000 0.243 423 I C 2.734 178.771 176.117 -0.133 0.000 1.080 423 I CA 1.484 62.733 61.300 -0.086 0.000 1.339 423 I CB -1.123 36.875 38.000 -0.004 0.000 1.039 423 I HN 0.310 nan 8.210 nan 0.000 0.409 424 A N 0.643 123.378 122.820 -0.141 0.000 1.908 424 A HA -0.227 4.094 4.320 0.001 0.000 0.218 424 A C 2.282 179.888 177.584 0.037 0.000 1.181 424 A CA 1.863 53.906 52.037 0.010 0.000 0.627 424 A CB -0.819 18.113 19.000 -0.113 0.000 0.818 424 A HN 0.442 nan 8.150 nan 0.000 0.445 425 L N -1.015 120.073 121.223 -0.224 0.000 2.005 425 L HA -0.157 4.184 4.340 0.001 0.000 0.207 425 L C 2.333 178.970 176.870 -0.388 0.000 1.072 425 L CA 2.277 56.925 54.840 -0.320 0.000 0.744 425 L CB -0.720 41.015 42.059 -0.541 0.000 0.895 425 L HN 0.502 nan 8.230 nan 0.000 0.433 426 H N -0.288 118.605 119.070 -0.295 0.000 2.457 426 H HA 0.069 4.625 4.556 0.001 0.000 0.294 426 H C 2.127 177.395 175.328 -0.100 0.000 1.064 426 H CA 1.092 57.000 56.048 -0.234 0.000 1.330 426 H CB -0.290 29.235 29.762 -0.396 0.000 1.395 426 H HN 0.572 nan 8.280 nan 0.000 0.541 427 A N 1.040 123.866 122.820 0.011 0.000 1.854 427 A HA -0.146 4.174 4.320 0.001 0.000 0.214 427 A C 2.054 179.622 177.584 -0.026 0.000 1.192 427 A CA 0.986 53.021 52.037 -0.003 0.000 0.611 427 A CB -0.639 18.356 19.000 -0.008 0.000 0.832 427 A HN 0.427 nan 8.150 nan 0.000 0.442 428 H N -0.967 118.116 119.070 0.021 0.000 2.421 428 H HA -0.081 4.476 4.556 0.001 0.000 0.298 428 H C 2.288 177.643 175.328 0.044 0.000 1.087 428 H CA 1.640 57.710 56.048 0.035 0.000 1.330 428 H CB -0.001 29.795 29.762 0.056 0.000 1.388 428 H HN 0.468 nan 8.280 nan 0.000 0.526 429 R N 0.417 120.987 120.500 0.116 0.000 2.096 429 R HA -0.102 4.238 4.340 0.001 0.000 0.235 429 R C 2.121 178.512 176.300 0.151 0.000 1.127 429 R CA 1.642 57.806 56.100 0.107 0.000 0.968 429 R CB 0.054 30.388 30.300 0.057 0.000 0.861 429 R HN 0.163 nan 8.270 nan 0.000 0.440 430 T N -0.413 114.200 114.554 0.098 0.000 2.746 430 T HA -0.133 4.218 4.350 0.001 0.000 0.267 430 T C 1.830 176.564 174.700 0.057 0.000 1.039 430 T CA 1.547 63.691 62.100 0.074 0.000 1.142 430 T CB -0.265 68.624 68.868 0.036 0.000 0.866 430 T HN 0.203 nan 8.240 nan 0.000 0.444 431 S N -0.007 115.716 115.700 0.037 0.000 2.370 431 S HA -0.143 4.327 4.470 0.001 0.000 0.226 431 S C 1.778 176.433 174.600 0.092 0.000 1.033 431 S CA 1.152 59.364 58.200 0.021 0.000 1.011 431 S CB -0.536 62.637 63.200 -0.045 0.000 0.852 431 S HN 0.607 nan 8.310 nan 0.000 0.457 432 Y N 2.515 122.840 120.300 0.042 0.000 2.081 432 Y HA -0.207 4.344 4.550 0.001 0.000 0.280 432 Y C 2.341 178.276 175.900 0.059 0.000 1.163 432 Y CA 2.377 60.533 58.100 0.093 0.000 1.135 432 Y CB -0.487 38.031 38.460 0.096 0.000 0.970 432 Y HN 0.274 nan 8.280 nan 0.000 0.498 433 E N -0.105 120.141 120.200 0.077 0.000 2.038 433 E HA -0.201 4.150 4.350 0.001 0.000 0.195 433 E C 2.184 178.705 176.600 -0.132 0.000 1.000 433 E CA 1.295 57.664 56.400 -0.052 0.000 0.803 433 E CB -0.668 29.067 29.700 0.058 0.000 0.750 433 E HN 0.401 nan 8.360 nan 0.000 0.448 434 L N 0.859 122.040 121.223 -0.070 0.000 2.083 434 L HA -0.060 4.280 4.340 0.001 0.000 0.209 434 L C 2.441 179.256 176.870 -0.092 0.000 1.083 434 L CA 1.803 56.590 54.840 -0.088 0.000 0.752 434 L CB -1.614 40.404 42.059 -0.069 0.000 0.899 434 L HN 0.179 nan 8.230 nan 0.000 0.433 435 G N -0.598 108.167 108.800 -0.060 0.000 2.491 435 G HA2 -0.328 3.632 3.960 0.001 0.000 0.218 435 G HA3 -0.328 3.632 3.960 0.001 0.000 0.218 435 G C 1.826 176.677 174.900 -0.082 0.000 1.180 435 G CA 0.961 46.063 45.100 0.004 0.000 0.774 435 G HN 0.333 nan 8.290 nan 0.000 0.562 436 K N 0.061 120.232 120.400 -0.382 0.000 2.026 436 K HA -0.073 4.247 4.320 0.001 0.000 0.208 436 K C 2.449 178.832 176.600 -0.363 0.000 1.048 436 K CA 1.406 57.280 56.287 -0.688 0.000 0.929 436 K CB -0.159 31.803 32.500 -0.897 0.000 0.713 436 K HN 0.508 nan 8.250 nan 0.000 0.439 437 E N 0.779 120.825 120.200 -0.257 0.000 2.107 437 E HA -0.153 4.197 4.350 0.001 0.000 0.191 437 E C 1.176 177.668 176.600 -0.181 0.000 0.982 437 E CA 1.155 57.436 56.400 -0.199 0.000 0.809 437 E CB 0.334 29.936 29.700 -0.163 0.000 0.756 437 E HN 0.142 nan 8.360 nan 0.000 0.459 438 K N -1.033 119.278 120.400 -0.149 0.000 2.450 438 K HA 0.253 4.574 4.320 0.001 0.000 0.206 438 K C -0.196 176.361 176.600 -0.070 0.000 1.148 438 K CA 0.409 56.621 56.287 -0.125 0.000 1.014 438 K CB 1.989 34.414 32.500 -0.126 0.000 0.966 438 K HN 0.179 nan 8.250 nan 0.000 0.566 439 G N 1.956 110.732 108.800 -0.040 0.000 2.742 439 G HA2 -0.141 3.819 3.960 0.001 0.000 0.686 439 G HA3 -0.141 3.819 3.960 0.001 0.000 0.686 439 G C -1.278 173.647 174.900 0.042 0.000 1.220 439 G CA -1.082 44.022 45.100 0.007 0.000 0.783 439 G HN 0.014 nan 8.290 nan 0.000 0.646 440 N N -0.061 118.674 118.700 0.058 0.000 2.467 440 N HA 0.543 5.283 4.740 0.001 0.000 0.262 440 N C 0.805 176.359 175.510 0.073 0.000 1.234 440 N CA -0.134 52.954 53.050 0.063 0.000 0.952 440 N CB 0.356 38.822 38.487 -0.033 0.000 1.158 440 N HN 0.730 nan 8.380 nan 0.000 0.463 441 F N 0.035 119.987 119.950 0.003 0.000 2.607 441 F HA 0.233 4.761 4.527 0.001 0.000 0.374 441 F C -1.578 174.226 175.800 0.006 0.000 1.104 441 F CA -1.610 56.396 58.000 0.011 0.000 1.296 441 F CB -0.410 38.605 39.000 0.024 0.000 1.085 441 F HN 0.388 nan 8.300 nan 0.000 0.584 442 P HA -0.209 nan 4.420 nan 0.000 0.216 442 P C 1.349 178.512 177.300 -0.229 0.000 1.150 442 P CA 1.620 64.666 63.100 -0.090 0.000 0.843 442 P CB 0.024 31.730 31.700 0.009 0.000 0.787 443 L N -1.426 119.650 121.223 -0.245 0.000 2.627 443 L HA 0.051 4.392 4.340 0.001 0.000 0.233 443 L C 2.161 178.695 176.870 -0.560 0.000 1.144 443 L CA 0.000 54.693 54.840 -0.246 0.000 0.892 443 L CB -0.634 41.478 42.059 0.089 0.000 1.039 443 L HN 0.053 nan 8.230 nan 0.000 0.442 444 L N 0.308 120.867 121.223 -1.107 0.000 2.042 444 L HA -0.257 4.084 4.340 0.001 0.000 0.210 444 L C 2.279 178.930 176.870 -0.365 0.000 1.076 444 L CA 1.728 56.015 54.840 -0.922 0.000 0.749 444 L CB 0.122 41.719 42.059 -0.770 0.000 0.893 444 L HN 0.335 nan 8.230 nan 0.000 0.432 445 E N 0.166 120.178 120.200 -0.315 0.000 2.153 445 E HA -0.221 4.130 4.350 0.001 0.000 0.194 445 E C 1.797 178.277 176.600 -0.200 0.000 0.988 445 E CA 1.685 57.959 56.400 -0.209 0.000 0.811 445 E CB -0.221 29.374 29.700 -0.174 0.000 0.746 445 E HN 0.769 nan 8.360 nan 0.000 0.466 446 I N -1.565 118.856 120.570 -0.250 0.000 3.793 446 I HA 0.145 4.316 4.170 0.001 0.000 0.315 446 I C 0.625 176.481 176.117 -0.436 0.000 1.275 446 I CA -0.387 60.697 61.300 -0.361 0.000 1.214 446 I CB 0.045 37.795 38.000 -0.417 0.000 1.018 446 I HN -0.122 nan 8.210 nan 0.000 0.439 447 S N 1.012 116.556 115.700 -0.261 0.000 2.617 447 S HA 0.361 4.831 4.470 0.001 0.000 0.269 447 S C 0.873 175.310 174.600 -0.271 0.000 1.292 447 S CA -0.670 57.400 58.200 -0.216 0.000 1.010 447 S CB 1.429 64.686 63.200 0.095 0.000 0.944 447 S HN 0.354 nan 8.310 nan 0.000 0.536 448 R N 0.040 120.239 120.500 -0.502 0.000 2.341 448 R HA -0.014 4.326 4.340 0.001 0.000 0.213 448 R C 0.815 176.828 176.300 -0.479 0.000 1.082 448 R CA 1.067 56.790 56.100 -0.628 0.000 1.017 448 R CB -0.512 29.104 30.300 -1.140 0.000 0.860 448 R HN 0.721 nan 8.270 nan 0.000 0.473 449 Y N -0.170 120.037 120.300 -0.156 0.000 2.220 449 Y HA -0.042 4.508 4.550 0.001 0.000 0.291 449 Y C 2.398 178.297 175.900 -0.002 0.000 1.129 449 Y CA 0.826 58.956 58.100 0.051 0.000 1.161 449 Y CB -0.005 38.544 38.460 0.147 0.000 0.997 449 Y HN -0.124 nan 8.280 nan 0.000 0.522 450 R N -0.295 120.256 120.500 0.084 0.000 2.055 450 R HA -0.079 4.262 4.340 0.001 0.000 0.226 450 R C 2.366 178.651 176.300 -0.024 0.000 1.135 450 R CA 1.939 58.039 56.100 0.000 0.000 0.959 450 R CB -1.200 29.061 30.300 -0.065 0.000 0.854 450 R HN 0.475 nan 8.270 nan 0.000 0.431 451 T N -1.912 112.600 114.554 -0.069 0.000 3.014 451 T HA 0.055 4.405 4.350 0.001 0.000 0.263 451 T C 0.823 175.494 174.700 -0.048 0.000 1.078 451 T CA 0.334 62.393 62.100 -0.069 0.000 1.135 451 T CB 0.321 69.132 68.868 -0.095 0.000 0.895 451 T HN 0.026 nan 8.240 nan 0.000 0.480 452 E N 1.789 121.958 120.200 -0.050 0.000 2.133 452 E HA 0.220 4.571 4.350 0.001 0.000 0.274 452 E C -1.083 175.549 176.600 0.053 0.000 0.930 452 E CA -0.649 55.746 56.400 -0.007 0.000 0.770 452 E CB 0.926 30.611 29.700 -0.025 0.000 1.104 452 E HN 0.299 nan 8.360 nan 0.000 0.403 453 D N 2.352 122.778 120.400 0.043 0.000 2.455 453 D HA -0.001 4.639 4.640 0.001 0.000 0.241 453 D C -0.006 176.336 176.300 0.070 0.000 1.138 453 D CA 0.566 54.597 54.000 0.051 0.000 0.877 453 D CB 0.317 41.136 40.800 0.031 0.000 1.187 453 D HN 0.537 nan 8.370 nan 0.000 0.451 454 N N 0.520 119.263 118.700 0.072 0.000 2.727 454 N HA -0.283 4.458 4.740 0.001 0.000 0.249 454 N C -0.504 175.047 175.510 0.068 0.000 1.048 454 N CA 0.026 53.109 53.050 0.056 0.000 0.714 454 N CB -1.411 37.094 38.487 0.030 0.000 0.959 454 N HN 0.329 nan 8.380 nan 0.000 0.544 455 F N 0.946 120.876 119.950 -0.033 0.000 2.443 455 F HA 0.492 5.020 4.527 0.001 0.000 0.353 455 F C 0.093 175.841 175.800 -0.087 0.000 1.101 455 F CA -0.399 57.552 58.000 -0.082 0.000 1.226 455 F CB 0.777 39.680 39.000 -0.161 0.000 1.140 455 F HN -0.156 nan 8.300 nan 0.000 0.557 456 V N 8.187 127.465 119.914 -1.060 0.000 2.668 456 V HA 0.291 4.411 4.120 0.001 0.000 0.304 456 V C -1.884 173.432 176.094 -1.297 0.000 1.071 456 V CA -1.167 60.548 62.300 -0.974 0.000 0.894 456 V CB 2.127 33.641 31.823 -0.515 0.000 1.008 456 V HN 0.680 nan 8.190 nan 0.000 0.425 457 P HA 0.101 nan 4.420 nan 0.000 0.252 457 P C -0.482 176.361 177.300 -0.761 0.000 1.265 457 P CA 0.615 63.264 63.100 -0.751 0.000 0.775 457 P CB -0.278 31.217 31.700 -0.341 0.000 1.128 458 F N -3.990 115.587 119.950 -0.621 0.000 2.745 458 F HA 0.740 5.267 4.527 0.001 0.000 0.316 458 F C 1.119 176.452 175.800 -0.779 0.000 1.155 458 F CA -1.522 55.903 58.000 -0.959 0.000 0.937 458 F CB -0.217 38.440 39.000 -0.572 0.000 1.361 458 F HN -0.330 nan 8.300 nan 0.000 0.472 459 A N 0.067 122.645 122.820 -0.403 0.000 1.975 459 A HA 0.341 4.662 4.320 0.001 0.000 0.215 459 A C 0.972 178.437 177.584 -0.199 0.000 1.170 459 A CA 1.142 53.072 52.037 -0.177 0.000 0.656 459 A CB -0.578 18.357 19.000 -0.109 0.000 0.821 459 A HN 0.820 nan 8.150 nan 0.000 0.449 460 M N -3.761 115.546 119.600 -0.488 0.000 7.319 460 M HA -0.268 4.212 4.480 0.001 0.000 0.133 460 M C 1.099 177.259 176.300 -0.233 0.000 0.480 460 M CA 1.540 56.463 55.300 -0.628 0.000 1.311 460 M CB -1.647 30.863 32.600 -0.149 0.000 0.421 460 M HN 1.483 nan 8.290 nan 0.000 0.169 461 G N 0.155 108.962 108.800 0.012 0.000 2.141 461 G HA2 -0.205 3.756 3.960 0.001 0.000 0.231 461 G HA3 -0.205 3.756 3.960 0.001 0.000 0.231 461 G C 0.012 174.975 174.900 0.105 0.000 0.984 461 G CA 0.600 45.731 45.100 0.051 0.000 0.660 461 G HN 0.772 nan 8.290 nan 0.000 0.525 462 M N 0.828 120.569 119.600 0.236 0.000 5.318 462 M HA 0.399 4.879 4.480 0.001 0.000 0.624 462 M C -0.051 176.341 176.300 0.153 0.000 2.360 462 M CA 0.570 55.984 55.300 0.189 0.000 0.348 462 M CB 0.467 33.164 32.600 0.162 0.000 1.458 462 M HN 0.919 nan 8.290 nan 0.000 0.671 463 S N -1.388 114.369 115.700 0.094 0.000 2.703 463 S HA 0.507 4.978 4.470 0.001 0.000 0.273 463 S C -0.377 174.200 174.600 -0.038 0.000 1.178 463 S CA -0.752 57.410 58.200 -0.063 0.000 0.838 463 S CB 1.132 64.147 63.200 -0.307 0.000 1.178 463 S HN 0.390 nan 8.310 nan 0.000 0.494 464 N N -0.462 118.164 118.700 -0.123 0.000 2.280 464 N HA 0.213 4.953 4.740 0.001 0.000 0.192 464 N C -0.235 175.066 175.510 -0.349 0.000 1.109 464 N CA 0.417 53.304 53.050 -0.272 0.000 0.855 464 N CB -0.017 38.222 38.487 -0.413 0.000 0.974 464 N HN 0.627 nan 8.380 nan 0.000 0.482 465 Y N 0.076 120.333 120.300 -0.071 0.000 2.507 465 Y HA 0.200 4.751 4.550 0.001 0.000 0.254 465 Y C 1.174 177.081 175.900 0.012 0.000 1.171 465 Y CA -0.504 57.568 58.100 -0.046 0.000 1.238 465 Y CB 0.495 38.897 38.460 -0.097 0.000 1.148 465 Y HN -0.159 nan 8.280 nan 0.000 0.525 466 D N 0.744 121.248 120.400 0.174 0.000 2.104 466 D HA -0.186 4.455 4.640 0.001 0.000 0.194 466 D C 1.511 177.877 176.300 0.111 0.000 0.994 466 D CA 1.706 55.815 54.000 0.182 0.000 0.830 466 D CB -0.101 40.792 40.800 0.155 0.000 0.959 466 D HN 0.271 nan 8.370 nan 0.000 0.452 467 D N 0.515 120.955 120.400 0.067 0.000 2.104 467 D HA -0.121 4.519 4.640 0.001 0.000 0.194 467 D C 1.967 178.291 176.300 0.041 0.000 0.994 467 D CA 0.788 54.812 54.000 0.041 0.000 0.830 467 D CB -0.197 40.614 40.800 0.018 0.000 0.959 467 D HN 0.362 nan 8.370 nan 0.000 0.452 468 E N 0.124 120.356 120.200 0.053 0.000 2.051 468 E HA -0.120 4.231 4.350 0.001 0.000 0.192 468 E C 2.436 179.055 176.600 0.032 0.000 0.991 468 E CA 0.425 56.851 56.400 0.043 0.000 0.799 468 E CB -0.070 29.674 29.700 0.073 0.000 0.748 468 E HN 0.298 nan 8.360 nan 0.000 0.449 469 I N 0.643 121.253 120.570 0.067 0.000 2.118 469 I HA -0.330 3.840 4.170 0.001 0.000 0.241 469 I C 2.699 178.836 176.117 0.033 0.000 1.070 469 I CA 1.188 62.526 61.300 0.063 0.000 1.327 469 I CB -0.272 37.830 38.000 0.170 0.000 1.034 469 I HN 0.027 nan 8.210 nan 0.000 0.405 470 R N 0.930 121.455 120.500 0.041 0.000 2.134 470 R HA -0.276 4.065 4.340 0.001 0.000 0.248 470 R C 2.255 178.560 176.300 0.008 0.000 1.143 470 R CA 2.135 58.244 56.100 0.016 0.000 0.957 470 R CB -0.372 29.942 30.300 0.023 0.000 0.867 470 R HN 0.410 nan 8.270 nan 0.000 0.441 471 E N -0.577 119.625 120.200 0.004 0.000 2.077 471 E HA -0.157 4.193 4.350 0.001 0.000 0.193 471 E C 1.697 178.275 176.600 -0.036 0.000 0.989 471 E CA 1.641 58.034 56.400 -0.012 0.000 0.800 471 E CB 0.149 29.840 29.700 -0.016 0.000 0.746 471 E HN 0.272 nan 8.360 nan 0.000 0.452 472 V N 1.259 121.149 119.914 -0.040 0.000 2.427 472 V HA -0.254 3.866 4.120 0.001 0.000 0.248 472 V C 2.485 178.571 176.094 -0.014 0.000 1.051 472 V CA 1.305 63.568 62.300 -0.063 0.000 1.048 472 V CB -0.434 31.361 31.823 -0.047 0.000 0.666 472 V HN 0.346 nan 8.190 nan 0.000 0.456 473 M N 0.029 119.639 119.600 0.016 0.000 2.117 473 M HA -0.178 4.302 4.480 0.001 0.000 0.262 473 M C 2.142 178.518 176.300 0.127 0.000 1.065 473 M CA 1.700 57.054 55.300 0.089 0.000 1.114 473 M CB -1.216 31.423 32.600 0.066 0.000 1.361 473 M HN 0.273 nan 8.290 nan 0.000 0.408 474 K N 0.333 120.776 120.400 0.071 0.000 2.001 474 K HA -0.136 4.184 4.320 0.001 0.000 0.214 474 K C 2.046 178.682 176.600 0.060 0.000 1.050 474 K CA 1.805 58.131 56.287 0.064 0.000 0.934 474 K CB -0.158 32.361 32.500 0.031 0.000 0.718 474 K HN 0.187 nan 8.250 nan 0.000 0.443 475 M N 0.041 119.645 119.600 0.005 0.000 2.144 475 M HA -0.174 4.306 4.480 0.001 0.000 0.260 475 M C 1.966 178.388 176.300 0.203 0.000 1.067 475 M CA 2.130 57.423 55.300 -0.012 0.000 1.095 475 M CB -0.426 31.951 32.600 -0.370 0.000 1.365 475 M HN 0.333 nan 8.290 nan 0.000 0.406 476 T N -2.172 112.490 114.554 0.181 0.000 3.215 476 T HA -0.002 4.348 4.350 0.001 0.000 0.254 476 T C 1.403 176.164 174.700 0.102 0.000 1.149 476 T CA 0.393 62.616 62.100 0.205 0.000 1.042 476 T CB -0.283 68.621 68.868 0.061 0.000 0.966 476 T HN 0.358 nan 8.240 nan 0.000 0.534 477 K N 0.828 121.300 120.400 0.120 0.000 2.152 477 K HA -0.171 4.149 4.320 0.001 0.000 0.206 477 K C 1.906 178.476 176.600 -0.050 0.000 1.048 477 K CA 1.733 58.064 56.287 0.074 0.000 0.933 477 K CB 0.057 32.594 32.500 0.062 0.000 0.721 477 K HN 0.453 nan 8.250 nan 0.000 0.447 478 E N -1.533 118.608 120.200 -0.099 0.000 2.228 478 E HA 0.136 4.487 4.350 0.001 0.000 0.197 478 E C -0.519 175.550 176.600 -0.885 0.000 0.909 478 E CA 0.329 56.443 56.400 -0.476 0.000 0.911 478 E CB 0.433 29.814 29.700 -0.531 0.000 0.887 478 E HN 0.034 nan 8.360 nan 0.000 0.481 479 F N 0.903 120.874 119.950 0.035 0.000 2.493 479 F HA 0.516 5.043 4.527 0.001 0.000 0.329 479 F C -0.337 175.464 175.800 0.002 0.000 1.126 479 F CA -1.007 56.920 58.000 -0.121 0.000 0.937 479 F CB 1.644 40.350 39.000 -0.490 0.000 1.146 479 F HN -0.223 nan 8.300 nan 0.000 0.442 480 R N 1.174 121.775 120.500 0.169 0.000 2.563 480 R HA 0.564 4.905 4.340 0.001 0.000 0.262 480 R C -0.191 176.255 176.300 0.243 0.000 1.128 480 R CA -1.021 55.181 56.100 0.171 0.000 0.969 480 R CB 1.388 31.743 30.300 0.091 0.000 1.251 480 R HN 0.461 nan 8.270 nan 0.000 0.442 481 R N 1.718 122.304 120.500 0.144 0.000 2.115 481 R HA 0.133 4.473 4.340 0.001 0.000 0.226 481 R C -0.623 175.749 176.300 0.120 0.000 1.100 481 R CA 1.580 57.756 56.100 0.128 0.000 0.980 481 R CB -0.010 30.305 30.300 0.025 0.000 0.875 481 R HN 0.801 nan 8.270 nan 0.000 0.445 482 N N -1.723 116.940 118.700 -0.062 0.000 2.260 482 N HA 0.125 4.865 4.740 0.001 0.000 0.293 482 N C -0.199 174.963 175.510 -0.581 0.000 1.058 482 N CA -0.277 52.589 53.050 -0.306 0.000 0.824 482 N CB 2.583 40.961 38.487 -0.182 0.000 1.551 482 N HN -0.171 nan 8.380 nan 0.000 0.475 483 V N 0.912 120.321 119.914 -0.842 0.000 2.407 483 V HA 0.123 4.243 4.120 0.001 0.000 0.248 483 V C 0.392 176.497 176.094 0.018 0.000 1.055 483 V CA 2.133 64.079 62.300 -0.590 0.000 1.049 483 V CB -0.369 31.223 31.823 -0.385 0.000 0.662 483 V HN 0.845 nan 8.190 nan 0.000 0.455 484 A N -2.095 120.720 122.820 -0.009 0.000 2.612 484 A HA 0.699 5.020 4.320 0.001 0.000 0.293 484 A C -0.725 176.853 177.584 -0.010 0.000 1.075 484 A CA -0.359 51.750 52.037 0.120 0.000 0.680 484 A CB 1.547 20.653 19.000 0.175 0.000 1.279 484 A HN 0.145 nan 8.150 nan 0.000 0.411 485 L N -0.246 120.973 121.223 -0.007 0.000 3.076 485 L HA 0.384 4.724 4.340 0.001 0.000 0.271 485 L C -0.537 176.343 176.870 0.017 0.000 1.152 485 L CA 0.646 55.441 54.840 -0.075 0.000 0.996 485 L CB 0.377 42.276 42.059 -0.266 0.000 1.453 485 L HN 0.577 nan 8.230 nan 0.000 0.571 486 L N -1.239 120.042 121.223 0.097 0.000 2.354 486 L HA 0.815 5.155 4.340 0.001 0.000 0.269 486 L C -0.189 176.726 176.870 0.074 0.000 1.005 486 L CA -0.200 54.697 54.840 0.094 0.000 0.819 486 L CB 2.133 44.275 42.059 0.137 0.000 1.311 486 L HN -0.214 nan 8.230 nan 0.000 0.423 487 T N 1.693 116.272 114.554 0.043 0.000 2.739 487 T HA 0.651 5.002 4.350 0.001 0.000 0.303 487 T C -1.921 172.771 174.700 -0.014 0.000 1.389 487 T CA -0.408 61.703 62.100 0.018 0.000 1.001 487 T CB 1.467 70.340 68.868 0.008 0.000 1.436 487 T HN 0.301 nan 8.240 nan 0.000 0.500 488 I N 2.549 123.090 120.570 -0.048 0.000 2.439 488 I HA 0.638 4.808 4.170 0.001 0.000 0.285 488 I C 0.525 176.590 176.117 -0.086 0.000 1.021 488 I CA -0.904 60.335 61.300 -0.102 0.000 1.091 488 I CB 0.615 38.482 38.000 -0.221 0.000 1.242 488 I HN 0.808 nan 8.210 nan 0.000 0.439 489 A N 8.071 130.845 122.820 -0.077 0.000 2.252 489 A HA 0.769 5.090 4.320 0.001 0.000 0.305 489 A C -1.678 175.863 177.584 -0.072 0.000 1.097 489 A CA -1.259 50.740 52.037 -0.063 0.000 0.849 489 A CB 0.290 19.257 19.000 -0.055 0.000 1.142 489 A HN 0.527 nan 8.150 nan 0.000 0.499 490 P HA -0.116 nan 4.420 nan 0.000 0.215 490 P C 0.572 177.828 177.300 -0.073 0.000 1.153 490 P CA 2.722 65.782 63.100 -0.067 0.000 0.853 490 P CB -0.195 31.469 31.700 -0.059 0.000 0.788 491 T N -5.995 108.517 114.554 -0.071 0.000 4.146 491 T HA -0.218 4.133 4.350 0.001 0.000 0.336 491 T C 1.344 175.999 174.700 -0.075 0.000 0.762 491 T CA 0.594 62.645 62.100 -0.081 0.000 1.914 491 T CB -2.675 66.135 68.868 -0.096 0.000 1.897 491 T HN 0.329 nan 8.240 nan 0.000 0.862 492 G N 1.130 109.894 108.800 -0.060 0.000 2.606 492 G HA2 -0.216 3.745 3.960 0.001 0.000 0.221 492 G HA3 -0.216 3.745 3.960 0.001 0.000 0.221 492 G C 1.529 176.408 174.900 -0.035 0.000 1.152 492 G CA 1.496 46.565 45.100 -0.051 0.000 0.765 492 G HN 0.960 nan 8.290 nan 0.000 0.595 493 S N 0.158 115.848 115.700 -0.016 0.000 2.566 493 S HA 0.106 4.576 4.470 0.001 0.000 0.234 493 S C 2.264 176.804 174.600 -0.101 0.000 1.075 493 S CA 0.451 58.653 58.200 0.003 0.000 0.926 493 S CB -0.107 63.180 63.200 0.146 0.000 0.811 493 S HN 0.595 nan 8.310 nan 0.000 0.518 494 I N 2.253 122.743 120.570 -0.135 0.000 2.454 494 I HA -0.089 4.081 4.170 0.001 0.000 0.254 494 I C 2.191 178.182 176.117 -0.209 0.000 1.156 494 I CA 1.475 62.642 61.300 -0.222 0.000 1.433 494 I CB -0.693 37.172 38.000 -0.225 0.000 1.082 494 I HN 0.314 nan 8.210 nan 0.000 0.432 495 S N 1.219 116.830 115.700 -0.149 0.000 2.423 495 S HA -0.113 4.358 4.470 0.001 0.000 0.231 495 S C 1.520 176.052 174.600 -0.113 0.000 1.014 495 S CA 1.321 59.445 58.200 -0.127 0.000 0.965 495 S CB -1.015 62.128 63.200 -0.094 0.000 0.785 495 S HN 0.653 nan 8.310 nan 0.000 0.495 496 N N 1.621 120.258 118.700 -0.105 0.000 2.135 496 N HA 0.155 4.895 4.740 0.001 0.000 0.186 496 N C 1.707 177.147 175.510 -0.116 0.000 1.027 496 N CA 1.390 54.406 53.050 -0.057 0.000 0.849 496 N CB -0.383 38.091 38.487 -0.022 0.000 1.002 496 N HN 0.322 nan 8.380 nan 0.000 0.425 497 I N 1.294 121.718 120.570 -0.243 0.000 2.151 497 I HA -0.280 3.890 4.170 0.001 0.000 0.243 497 I C 2.263 178.125 176.117 -0.424 0.000 1.080 497 I CA 1.035 62.085 61.300 -0.416 0.000 1.339 497 I CB -0.381 37.238 38.000 -0.635 0.000 1.039 497 I HN 0.188 nan 8.210 nan 0.000 0.409 498 A N -0.691 121.922 122.820 -0.346 0.000 2.172 498 A HA -0.156 4.165 4.320 0.001 0.000 0.216 498 A C 0.657 178.134 177.584 -0.178 0.000 1.154 498 A CA 0.747 52.613 52.037 -0.286 0.000 0.701 498 A CB -0.374 18.483 19.000 -0.239 0.000 0.789 498 A HN 0.560 nan 8.150 nan 0.000 0.465 499 D N -0.427 119.906 120.400 -0.111 0.000 2.697 499 D HA -0.118 4.522 4.640 0.001 0.000 0.238 499 D C 0.117 176.416 176.300 -0.002 0.000 1.152 499 D CA 1.624 55.616 54.000 -0.013 0.000 0.666 499 D CB -1.374 39.430 40.800 0.006 0.000 1.037 499 D HN 0.481 nan 8.370 nan 0.000 0.423 500 T N -1.737 112.804 114.554 -0.021 0.000 2.762 500 T HA 0.486 4.837 4.350 0.001 0.000 0.301 500 T C -0.493 174.196 174.700 -0.019 0.000 1.299 500 T CA 0.098 62.184 62.100 -0.023 0.000 1.005 500 T CB 1.464 70.289 68.868 -0.072 0.000 1.377 500 T HN 0.069 nan 8.240 nan 0.000 0.504 501 S N 1.359 117.046 115.700 -0.021 0.000 2.593 501 S HA 0.476 4.946 4.470 0.001 0.000 0.269 501 S C 0.087 174.668 174.600 -0.032 0.000 1.334 501 S CA -0.607 57.576 58.200 -0.028 0.000 1.015 501 S CB 0.587 63.753 63.200 -0.058 0.000 0.912 501 S HN 0.637 nan 8.310 nan 0.000 0.541 502 S N 2.229 117.905 115.700 -0.040 0.000 2.499 502 S HA 0.579 5.049 4.470 0.001 0.000 0.275 502 S C 1.384 175.961 174.600 -0.039 0.000 1.257 502 S CA -0.038 58.130 58.200 -0.053 0.000 1.050 502 S CB 0.097 63.254 63.200 -0.072 0.000 0.937 502 S HN 1.375 nan 8.310 nan 0.000 0.490 503 G N 2.562 111.329 108.800 -0.056 0.000 2.652 503 G HA2 -0.303 3.657 3.960 0.001 0.000 0.318 503 G HA3 -0.303 3.657 3.960 0.001 0.000 0.318 503 G C 0.508 175.360 174.900 -0.080 0.000 1.295 503 G CA 0.737 45.785 45.100 -0.086 0.000 0.999 503 G HN 1.037 nan 8.290 nan 0.000 0.548 504 L N -0.341 120.772 121.223 -0.183 0.000 2.607 504 L HA 0.523 4.863 4.340 0.001 0.000 0.228 504 L C 0.850 177.811 176.870 0.150 0.000 1.123 504 L CA 0.242 54.956 54.840 -0.210 0.000 0.890 504 L CB -0.843 40.652 42.059 -0.940 0.000 1.103 504 L HN 0.402 nan 8.230 nan 0.000 0.468 505 E N 3.547 123.792 120.200 0.075 0.000 2.414 505 E HA 0.170 4.521 4.350 0.001 0.000 0.263 505 E C -2.139 174.468 176.600 0.011 0.000 1.000 505 E CA -1.572 54.873 56.400 0.075 0.000 0.914 505 E CB 0.123 29.831 29.700 0.013 0.000 0.948 505 E HN 0.221 nan 8.360 nan 0.000 0.444 506 P HA -0.061 nan 4.420 nan 0.000 0.269 506 P C 0.009 177.205 177.300 -0.173 0.000 1.215 506 P CA -0.154 62.654 63.100 -0.487 0.000 0.780 506 P CB 0.507 31.721 31.700 -0.811 0.000 0.898 507 N N 1.064 119.677 118.700 -0.144 0.000 2.356 507 N HA -0.092 4.648 4.740 0.001 0.000 0.252 507 N C 0.874 176.392 175.510 0.014 0.000 1.241 507 N CA 0.349 53.386 53.050 -0.021 0.000 0.861 507 N CB 0.076 38.607 38.487 0.073 0.000 1.075 507 N HN 0.478 nan 8.380 nan 0.000 0.461 508 F N 2.571 122.444 119.950 -0.128 0.000 2.187 508 F HA 0.147 4.675 4.527 0.001 0.000 0.295 508 F C 0.391 176.130 175.800 -0.102 0.000 1.091 508 F CA 0.828 58.743 58.000 -0.141 0.000 1.308 508 F CB 0.401 39.269 39.000 -0.219 0.000 1.030 508 F HN 0.341 nan 8.300 nan 0.000 0.487 509 L N -0.197 120.942 121.223 -0.140 0.000 2.424 509 L HA 0.246 4.587 4.340 0.001 0.000 0.258 509 L C 0.272 177.275 176.870 0.220 0.000 0.995 509 L CA -0.788 54.023 54.840 -0.048 0.000 0.821 509 L CB 2.407 44.473 42.059 0.012 0.000 1.383 509 L HN -0.075 nan 8.230 nan 0.000 0.410 510 L N 1.340 122.681 121.223 0.196 0.000 2.307 510 L HA 0.354 4.694 4.340 0.001 0.000 0.211 510 L C 0.572 177.554 176.870 0.188 0.000 1.099 510 L CA 0.484 55.447 54.840 0.205 0.000 0.816 510 L CB 0.196 42.316 42.059 0.101 0.000 0.952 510 L HN 0.667 nan 8.230 nan 0.000 0.455 511 A N -0.632 122.308 122.820 0.200 0.000 2.437 511 A HA 0.636 4.956 4.320 0.001 0.000 0.293 511 A C -1.352 176.352 177.584 0.201 0.000 1.038 511 A CA -0.380 51.709 52.037 0.086 0.000 0.708 511 A CB 0.851 19.864 19.000 0.021 0.000 1.251 511 A HN 0.227 nan 8.150 nan 0.000 0.409 512 Y N -1.441 118.909 120.300 0.083 0.000 2.930 512 Y HA 0.842 5.393 4.550 0.001 0.000 0.336 512 Y C -0.655 175.308 175.900 0.105 0.000 1.416 512 Y CA -0.972 57.179 58.100 0.085 0.000 1.091 512 Y CB 0.829 39.344 38.460 0.092 0.000 1.631 512 Y HN 0.449 nan 8.280 nan 0.000 0.436 513 T N 2.044 116.764 114.554 0.277 0.000 3.293 513 T HA 0.501 4.852 4.350 0.001 0.000 0.320 513 T C -1.189 173.588 174.700 0.128 0.000 0.995 513 T CA -1.009 61.147 62.100 0.094 0.000 1.041 513 T CB 1.100 69.949 68.868 -0.032 0.000 1.058 513 T HN 0.894 nan 8.240 nan 0.000 0.453 514 R N 2.013 122.583 120.500 0.118 0.000 2.828 514 R HA 0.860 5.200 4.340 0.001 0.000 0.264 514 R C -1.284 174.914 176.300 -0.170 0.000 1.022 514 R CA -0.761 55.384 56.100 0.075 0.000 1.021 514 R CB 1.179 31.581 30.300 0.171 0.000 1.163 514 R HN 0.347 nan 8.270 nan 0.000 0.494 526 L N -1.276 119.704 121.223 -0.405 0.000 1.918 526 L HA 0.339 4.679 4.340 0.001 0.000 0.150 526 L C -1.290 175.444 176.870 -0.228 0.000 1.315 526 L CA -0.094 54.617 54.840 -0.215 0.000 1.085 526 L CB 0.505 42.519 42.059 -0.076 0.000 2.248 526 L HN -0.018 nan 8.230 nan 0.000 0.481 527 L N 0.801 121.926 121.223 -0.164 0.000 1.807 527 L HA -0.160 4.180 4.340 0.001 0.000 0.541 527 L C -2.171 174.432 176.870 -0.446 0.000 1.001 527 L CA 0.352 55.058 54.840 -0.223 0.000 1.192 527 L CB -0.890 41.046 42.059 -0.206 0.000 1.929 527 L HN 0.236 nan 8.230 nan 0.000 1.031 528 Y N 4.163 124.160 120.300 -0.504 0.000 2.512 528 Y HA 0.838 5.388 4.550 0.001 0.000 0.348 528 Y C -0.136 175.506 175.900 -0.429 0.000 0.990 528 Y CA -0.825 56.950 58.100 -0.542 0.000 1.033 528 Y CB 2.302 40.229 38.460 -0.889 0.000 1.259 528 Y HN 0.330 nan 8.280 nan 0.000 0.461 529 V N 2.606 122.458 119.914 -0.103 0.000 2.577 529 V HA 0.241 4.362 4.120 0.001 0.000 0.303 529 V C -0.304 175.812 176.094 0.037 0.000 1.042 529 V CA -1.478 60.795 62.300 -0.045 0.000 0.872 529 V CB 1.777 33.562 31.823 -0.062 0.000 0.998 529 V HN 0.818 nan 8.190 nan 0.000 0.423 530 N N 3.152 121.912 118.700 0.100 0.000 2.365 530 N HA -0.080 4.660 4.740 0.001 0.000 0.265 530 N C 0.991 176.573 175.510 0.121 0.000 1.288 530 N CA 0.271 53.424 53.050 0.172 0.000 0.869 530 N CB 1.299 39.943 38.487 0.262 0.000 1.071 530 N HN 0.794 nan 8.380 nan 0.000 0.480 531 Q N 3.964 123.844 119.800 0.133 0.000 2.050 531 Q HA -0.103 4.238 4.340 0.001 0.000 0.202 531 Q C 1.698 177.767 176.000 0.115 0.000 0.980 531 Q CA 1.721 57.583 55.803 0.099 0.000 0.840 531 Q CB -0.343 28.459 28.738 0.106 0.000 0.898 531 Q HN 0.636 nan 8.270 nan 0.000 0.424 532 V N 0.762 120.793 119.914 0.195 0.000 2.407 532 V HA -0.226 3.894 4.120 0.001 0.000 0.248 532 V C 2.288 178.506 176.094 0.208 0.000 1.055 532 V CA 1.581 64.019 62.300 0.230 0.000 1.049 532 V CB -0.846 31.166 31.823 0.314 0.000 0.662 532 V HN 0.370 nan 8.190 nan 0.000 0.455 533 L N 0.210 121.506 121.223 0.121 0.000 2.056 533 L HA 0.016 4.357 4.340 0.001 0.000 0.207 533 L C 1.609 178.321 176.870 -0.263 0.000 1.078 533 L CA 1.439 56.043 54.840 -0.393 0.000 0.749 533 L CB -0.348 41.436 42.059 -0.458 0.000 0.901 533 L HN 0.207 nan 8.230 nan 0.000 0.433 534 R N 0.318 120.751 120.500 -0.113 0.000 2.491 534 R HA 0.071 4.412 4.340 0.001 0.000 0.283 534 R C 1.041 177.307 176.300 -0.057 0.000 1.072 534 R CA 0.988 57.036 56.100 -0.087 0.000 1.048 534 R CB 0.136 30.407 30.300 -0.048 0.000 0.983 534 R HN 0.511 nan 8.270 nan 0.000 0.450 535 E N 1.185 121.349 120.200 -0.060 0.000 4.209 535 E HA -0.307 4.043 4.350 0.001 0.000 0.398 535 E C -0.128 176.457 176.600 -0.025 0.000 0.551 535 E CA 1.476 57.859 56.400 -0.028 0.000 1.443 535 E CB -0.963 28.738 29.700 0.002 0.000 1.896 535 E HN 0.555 nan 8.360 nan 0.000 0.371 536 K N 0.340 120.705 120.400 -0.058 0.000 2.391 536 K HA 0.400 4.721 4.320 0.001 0.000 0.197 536 K C -0.052 176.466 176.600 -0.137 0.000 1.087 536 K CA 0.301 56.559 56.287 -0.048 0.000 1.012 536 K CB 0.651 33.191 32.500 0.065 0.000 0.925 536 K HN 0.138 nan 8.250 nan 0.000 0.547 537 L N 2.009 123.106 121.223 -0.210 0.000 2.272 537 L HA 0.334 4.675 4.340 0.001 0.000 0.289 537 L C -0.592 176.203 176.870 -0.126 0.000 1.032 537 L CA -0.408 54.311 54.840 -0.202 0.000 0.810 537 L CB 1.072 42.960 42.059 -0.285 0.000 1.205 537 L HN 0.184 nan 8.230 nan 0.000 0.422 538 N N 5.828 124.471 118.700 -0.094 0.000 2.219 538 N HA -0.058 4.682 4.740 0.001 0.000 0.263 538 N C -1.726 173.740 175.510 -0.073 0.000 1.269 538 N CA -0.765 52.244 53.050 -0.069 0.000 0.831 538 N CB 0.829 39.282 38.487 -0.058 0.000 1.059 538 N HN 0.449 nan 8.380 nan 0.000 0.475 539 P HA -0.067 nan 4.420 nan 0.000 0.296 539 P C -0.710 176.560 177.300 -0.051 0.000 1.447 539 P CA 0.589 63.656 63.100 -0.056 0.000 0.750 539 P CB -0.562 31.110 31.700 -0.046 0.000 1.451 540 E N 0.308 120.476 120.200 -0.054 0.000 2.424 540 E HA 0.072 4.423 4.350 0.001 0.000 0.237 540 E C 0.197 176.761 176.600 -0.060 0.000 1.381 540 E CA -0.244 56.126 56.400 -0.051 0.000 1.587 540 E CB -0.988 28.683 29.700 -0.048 0.000 1.398 540 E HN 0.401 nan 8.360 nan 0.000 0.439 541 I N -0.996 119.535 120.570 -0.065 0.000 2.337 541 I HA 0.354 4.524 4.170 0.001 0.000 0.285 541 I C -0.376 175.710 176.117 -0.051 0.000 1.041 541 I CA -1.019 60.242 61.300 -0.064 0.000 1.199 541 I CB 0.439 38.392 38.000 -0.079 0.000 1.370 541 I HN 0.047 nan 8.210 nan 0.000 0.470 547 K N 1.118 121.506 120.400 -0.019 0.000 2.032 547 K HA -0.141 4.179 4.320 0.001 0.000 0.209 547 K C 1.895 178.491 176.600 -0.005 0.000 1.048 547 K CA 1.853 58.134 56.287 -0.010 0.000 0.927 547 K CB -0.061 32.434 32.500 -0.009 0.000 0.712 547 K HN 0.191 nan 8.250 nan 0.000 0.441 548 E N 0.360 120.554 120.200 -0.010 0.000 2.204 548 E HA -0.169 4.182 4.350 0.001 0.000 0.194 548 E C 1.851 178.447 176.600 -0.007 0.000 0.989 548 E CA 0.404 56.799 56.400 -0.008 0.000 0.824 548 E CB 0.139 29.832 29.700 -0.013 0.000 0.756 548 E HN 0.093 nan 8.360 nan 0.000 0.477 549 L N 0.727 121.943 121.223 -0.011 0.000 2.007 549 L HA -0.101 4.239 4.340 0.001 0.000 0.205 549 L C 1.992 178.867 176.870 0.010 0.000 1.073 549 L CA 1.509 56.344 54.840 -0.008 0.000 0.744 549 L CB -0.468 41.580 42.059 -0.019 0.000 0.898 549 L HN 0.145 nan 8.230 nan 0.000 0.435 550 I N -0.090 120.491 120.570 0.019 0.000 2.229 550 I HA -0.353 3.818 4.170 0.001 0.000 0.250 550 I C 2.455 178.594 176.117 0.037 0.000 1.096 550 I CA 1.732 63.056 61.300 0.040 0.000 1.358 550 I CB -0.326 37.695 38.000 0.034 0.000 1.047 550 I HN 0.412 nan 8.210 nan 0.000 0.422 551 E N 0.778 120.991 120.200 0.021 0.000 2.008 551 E HA -0.139 4.211 4.350 0.001 0.000 0.191 551 E C 2.095 178.703 176.600 0.013 0.000 0.986 551 E CA 1.178 57.589 56.400 0.019 0.000 0.807 551 E CB 0.077 29.784 29.700 0.011 0.000 0.766 551 E HN 0.262 nan 8.360 nan 0.000 0.450 552 K N -1.197 119.205 120.400 0.003 0.000 2.296 552 K HA 0.062 4.383 4.320 0.001 0.000 0.200 552 K C 1.029 177.619 176.600 -0.016 0.000 1.048 552 K CA 0.673 56.957 56.287 -0.005 0.000 0.966 552 K CB 0.436 32.931 32.500 -0.008 0.000 0.754 552 K HN 0.373 nan 8.250 nan 0.000 0.466 553 G N 1.746 110.536 108.800 -0.017 0.000 2.162 553 G HA2 -0.266 3.695 3.960 0.001 0.000 0.260 553 G HA3 -0.266 3.695 3.960 0.001 0.000 0.260 553 G C 0.037 174.896 174.900 -0.067 0.000 0.976 553 G CA 0.717 45.791 45.100 -0.044 0.000 0.655 553 G HN 0.409 nan 8.290 nan 0.000 0.533 554 S N -1.963 113.712 115.700 -0.041 0.000 2.588 554 S HA 0.620 5.091 4.470 0.001 0.000 0.269 554 S C 0.787 175.373 174.600 -0.023 0.000 1.157 554 S CA -0.200 57.979 58.200 -0.035 0.000 0.824 554 S CB 0.885 64.062 63.200 -0.038 0.000 1.126 554 S HN 0.508 nan 8.310 nan 0.000 0.464 555 L N 2.050 123.263 121.223 -0.018 0.000 2.554 555 L HA 0.217 4.557 4.340 0.001 0.000 0.226 555 L C 2.255 179.116 176.870 -0.015 0.000 1.137 555 L CA 0.274 55.100 54.840 -0.023 0.000 0.863 555 L CB -0.375 41.666 42.059 -0.030 0.000 0.985 555 L HN 0.673 nan 8.230 nan 0.000 0.451 556 K N 1.218 121.613 120.400 -0.008 0.000 2.000 556 K HA -0.201 4.119 4.320 0.001 0.000 0.218 556 K C 0.722 177.319 176.600 -0.005 0.000 1.053 556 K CA 1.820 58.105 56.287 -0.003 0.000 0.946 556 K CB -0.108 32.392 32.500 -0.001 0.000 0.723 556 K HN 0.194 nan 8.250 nan 0.000 0.446 557 D N 0.164 120.560 120.400 -0.007 0.000 2.889 557 D HA 0.121 4.761 4.640 0.001 0.000 0.243 557 D C -0.459 175.835 176.300 -0.010 0.000 1.270 557 D CA 0.126 54.122 54.000 -0.006 0.000 0.838 557 D CB -0.071 40.727 40.800 -0.004 0.000 1.040 557 D HN 0.231 nan 8.370 nan 0.000 0.480 558 I N 1.985 122.547 120.570 -0.014 0.000 2.347 558 I HA 0.191 4.362 4.170 0.001 0.000 0.283 558 I C -2.247 173.858 176.117 -0.020 0.000 1.058 558 I CA -1.989 59.299 61.300 -0.019 0.000 1.202 558 I CB 1.239 39.223 38.000 -0.027 0.000 1.386 558 I HN -0.392 nan 8.210 nan 0.000 0.475 559 P HA -0.047 nan 4.420 nan 0.000 0.266 559 P C -0.298 176.990 177.300 -0.020 0.000 1.193 559 P CA 0.324 63.414 63.100 -0.015 0.000 0.770 559 P CB 0.297 31.990 31.700 -0.013 0.000 0.836 560 D N -0.730 119.658 120.400 -0.019 0.000 2.699 560 D HA -0.127 4.513 4.640 0.001 0.000 0.239 560 D C -0.822 175.460 176.300 -0.031 0.000 1.136 560 D CA 0.718 54.705 54.000 -0.023 0.000 0.668 560 D CB -1.072 39.715 40.800 -0.022 0.000 1.060 560 D HN 0.061 nan 8.370 nan 0.000 0.429 561 V N 0.991 120.885 119.914 -0.033 0.000 2.531 561 V HA 0.329 4.449 4.120 0.001 0.000 0.301 561 V C -1.922 174.150 176.094 -0.036 0.000 1.034 561 V CA -1.426 60.847 62.300 -0.046 0.000 0.865 561 V CB 2.271 34.060 31.823 -0.057 0.000 0.995 561 V HN -0.088 nan 8.190 nan 0.000 0.424 562 P HA 0.116 nan 4.420 nan 0.000 0.267 562 P C 0.653 177.947 177.300 -0.010 0.000 1.200 562 P CA -0.019 63.069 63.100 -0.022 0.000 0.772 562 P CB 0.787 32.473 31.700 -0.022 0.000 0.855 563 E N 2.093 122.292 120.200 -0.002 0.000 2.110 563 E HA -0.195 4.156 4.350 0.001 0.000 0.193 563 E C 1.605 178.215 176.600 0.016 0.000 0.988 563 E CA 1.338 57.741 56.400 0.006 0.000 0.804 563 E CB -0.246 29.457 29.700 0.005 0.000 0.745 563 E HN 0.408 nan 8.360 nan 0.000 0.458 564 K N 0.906 121.316 120.400 0.017 0.000 2.152 564 K HA -0.099 4.221 4.320 0.001 0.000 0.206 564 K C 1.916 178.551 176.600 0.058 0.000 1.048 564 K CA 0.844 57.148 56.287 0.029 0.000 0.933 564 K CB -0.161 32.353 32.500 0.024 0.000 0.721 564 K HN 0.028 nan 8.250 nan 0.000 0.447 565 I N 0.990 121.594 120.570 0.057 0.000 2.193 565 I HA -0.217 3.954 4.170 0.001 0.000 0.240 565 I C 1.994 178.193 176.117 0.136 0.000 1.084 565 I CA 1.319 62.684 61.300 0.108 0.000 1.365 565 I CB -0.819 37.159 38.000 -0.037 0.000 1.064 565 I HN 0.248 nan 8.210 nan 0.000 0.410 566 K N 0.912 121.343 120.400 0.051 0.000 2.089 566 K HA -0.255 4.066 4.320 0.001 0.000 0.210 566 K C 2.090 178.727 176.600 0.061 0.000 1.048 566 K CA 1.773 58.086 56.287 0.044 0.000 0.926 566 K CB -0.171 32.340 32.500 0.017 0.000 0.714 566 K HN 0.105 nan 8.250 nan 0.000 0.448 567 K N 0.343 120.774 120.400 0.051 0.000 2.155 567 K HA -0.026 4.294 4.320 0.001 0.000 0.203 567 K C 1.932 178.550 176.600 0.031 0.000 1.052 567 K CA 0.560 56.869 56.287 0.037 0.000 0.948 567 K CB -0.064 32.451 32.500 0.025 0.000 0.728 567 K HN -0.066 nan 8.250 nan 0.000 0.448 568 V N -0.203 119.722 119.914 0.018 0.000 2.346 568 V HA -0.068 4.052 4.120 0.001 0.000 0.244 568 V C 0.745 176.724 176.094 -0.191 0.000 1.037 568 V CA 1.151 63.391 62.300 -0.101 0.000 1.029 568 V CB -0.288 31.420 31.823 -0.192 0.000 0.663 568 V HN 0.113 nan 8.190 nan 0.000 0.454 569 F N 1.447 121.287 119.950 -0.184 0.000 2.833 569 F HA 0.285 4.813 4.527 0.001 0.000 0.327 569 F C 0.603 176.361 175.800 -0.069 0.000 1.184 569 F CA -0.639 57.139 58.000 -0.371 0.000 1.328 569 F CB -0.640 38.049 39.000 -0.518 0.000 1.440 569 F HN -0.031 nan 8.300 nan 0.000 0.569 570 V N -0.362 119.650 119.914 0.163 0.000 2.924 570 V HA 0.527 4.647 4.120 0.001 0.000 0.305 570 V C 0.242 176.409 176.094 0.122 0.000 1.073 570 V CA -0.989 61.380 62.300 0.115 0.000 1.098 570 V CB 0.880 32.748 31.823 0.074 0.000 1.000 570 V HN 0.139 nan 8.190 nan 0.000 0.484 571 V N 0.090 120.016 119.914 0.020 0.000 3.113 571 V HA 0.906 5.027 4.120 0.001 0.000 0.316 571 V C 1.456 177.490 176.094 -0.100 0.000 1.125 571 V CA -0.262 62.010 62.300 -0.046 0.000 1.026 571 V CB 0.861 32.626 31.823 -0.097 0.000 1.080 571 V HN 1.422 nan 8.190 nan 0.000 0.444 572 A N 0.751 123.512 122.820 -0.099 0.000 1.923 572 A HA -0.197 4.123 4.320 0.001 0.000 0.222 572 A C 1.747 179.405 177.584 0.124 0.000 1.258 572 A CA 2.757 54.834 52.037 0.066 0.000 0.670 572 A CB -0.936 18.187 19.000 0.205 0.000 0.834 572 A HN 0.909 nan 8.150 nan 0.000 0.470 573 L N -0.252 120.954 121.223 -0.028 0.000 2.558 573 L HA 0.043 4.384 4.340 0.001 0.000 0.225 573 L C 1.082 177.966 176.870 0.022 0.000 1.128 573 L CA 1.127 55.977 54.840 0.016 0.000 0.868 573 L CB -0.587 41.443 42.059 -0.049 0.000 1.006 573 L HN 0.328 nan 8.230 nan 0.000 0.454 574 D N -0.390 120.011 120.400 0.001 0.000 2.277 574 D HA 0.048 4.688 4.640 0.001 0.000 0.208 574 D C 0.838 177.156 176.300 0.030 0.000 0.962 574 D CA 0.689 54.696 54.000 0.012 0.000 0.865 574 D CB 0.522 41.325 40.800 0.004 0.000 0.939 574 D HN 0.244 nan 8.370 nan 0.000 0.510 575 I N 2.378 122.967 120.570 0.031 0.000 2.353 575 I HA 0.061 4.232 4.170 0.001 0.000 0.293 575 I C 0.333 176.519 176.117 0.115 0.000 0.992 575 I CA -1.019 60.276 61.300 -0.009 0.000 1.268 575 I CB 1.275 39.105 38.000 -0.284 0.000 1.387 575 I HN -0.185 nan 8.210 nan 0.000 0.478 576 D N 7.013 127.481 120.400 0.114 0.000 2.329 576 D HA 0.177 4.817 4.640 0.001 0.000 0.246 576 D C -2.109 174.357 176.300 0.276 0.000 1.111 576 D CA -2.172 51.927 54.000 0.165 0.000 0.941 576 D CB 0.739 41.601 40.800 0.103 0.000 1.169 576 D HN 0.127 nan 8.370 nan 0.000 0.441 577 P HA -0.199 nan 4.420 nan 0.000 0.218 577 P C 1.545 178.975 177.300 0.217 0.000 1.154 577 P CA 1.781 65.006 63.100 0.207 0.000 0.872 577 P CB 0.036 31.797 31.700 0.102 0.000 0.790 578 M N -1.710 117.986 119.600 0.160 0.000 2.349 578 M HA -0.056 4.424 4.480 0.001 0.000 0.266 578 M C 1.198 177.585 176.300 0.145 0.000 1.076 578 M CA 1.393 56.774 55.300 0.134 0.000 1.126 578 M CB -1.215 31.441 32.600 0.093 0.000 1.392 578 M HN -0.039 nan 8.290 nan 0.000 0.440 579 D N -0.683 119.805 120.400 0.146 0.000 2.194 579 D HA -0.093 4.547 4.640 0.001 0.000 0.204 579 D C 1.990 178.392 176.300 0.171 0.000 0.964 579 D CA 0.884 54.960 54.000 0.127 0.000 0.846 579 D CB -0.195 40.660 40.800 0.093 0.000 0.962 579 D HN 0.388 nan 8.370 nan 0.000 0.490 580 H N 0.430 119.625 119.070 0.208 0.000 2.267 580 H HA -0.110 4.447 4.556 0.001 0.000 0.297 580 H C 2.242 177.683 175.328 0.187 0.000 1.080 580 H CA 0.848 57.033 56.048 0.229 0.000 1.278 580 H CB -0.397 29.457 29.762 0.152 0.000 1.365 580 H HN 0.106 nan 8.280 nan 0.000 0.489 581 L N 1.186 122.583 121.223 0.288 0.000 1.990 581 L HA -0.183 4.158 4.340 0.001 0.000 0.213 581 L C 2.483 179.451 176.870 0.164 0.000 1.072 581 L CA 1.417 56.377 54.840 0.199 0.000 0.755 581 L CB -0.970 41.188 42.059 0.165 0.000 0.889 581 L HN 0.151 nan 8.230 nan 0.000 0.432 582 L N -1.409 119.901 121.223 0.144 0.000 2.127 582 L HA -0.251 4.089 4.340 0.001 0.000 0.211 582 L C 2.539 179.482 176.870 0.122 0.000 1.089 582 L CA 1.457 56.364 54.840 0.113 0.000 0.757 582 L CB -0.546 41.566 42.059 0.088 0.000 0.899 582 L HN 0.435 nan 8.230 nan 0.000 0.434 583 M N -0.311 119.384 119.600 0.157 0.000 2.175 583 M HA -0.222 4.258 4.480 0.001 0.000 0.264 583 M C 2.226 178.679 176.300 0.256 0.000 1.063 583 M CA 1.729 57.139 55.300 0.184 0.000 1.119 583 M CB -0.421 32.300 32.600 0.201 0.000 1.377 583 M HN 0.150 nan 8.290 nan 0.000 0.415 584 Q N -0.602 119.323 119.800 0.209 0.000 2.079 584 Q HA -0.242 4.098 4.340 0.001 0.000 0.200 584 Q C 1.665 177.760 176.000 0.158 0.000 0.974 584 Q CA 2.152 58.058 55.803 0.171 0.000 0.840 584 Q CB -0.249 28.572 28.738 0.138 0.000 0.898 584 Q HN 0.704 nan 8.270 nan 0.000 0.430 585 D N -0.339 120.138 120.400 0.128 0.000 2.123 585 D HA -0.191 4.449 4.640 0.001 0.000 0.196 585 D C 1.734 178.077 176.300 0.071 0.000 0.992 585 D CA 1.742 55.794 54.000 0.085 0.000 0.833 585 D CB -0.109 40.732 40.800 0.068 0.000 0.954 585 D HN 0.364 nan 8.370 nan 0.000 0.455 586 A N -0.594 122.276 122.820 0.083 0.000 1.877 586 A HA -0.111 4.210 4.320 0.001 0.000 0.216 586 A C 2.144 179.727 177.584 -0.003 0.000 1.186 586 A CA 1.276 53.326 52.037 0.022 0.000 0.620 586 A CB -1.232 17.745 19.000 -0.038 0.000 0.822 586 A HN 0.380 nan 8.150 nan 0.000 0.443 587 F N -0.620 119.299 119.950 -0.052 0.000 2.113 587 F HA -0.162 4.365 4.527 0.001 0.000 0.297 587 F C 2.632 178.386 175.800 -0.077 0.000 1.103 587 F CA 1.801 59.749 58.000 -0.086 0.000 1.248 587 F CB -0.321 38.595 39.000 -0.141 0.000 0.999 587 F HN 0.244 nan 8.300 nan 0.000 0.475 588 Q N 0.829 120.699 119.800 0.117 0.000 2.291 588 Q HA -0.149 4.191 4.340 0.001 0.000 0.206 588 Q C 1.883 177.803 176.000 -0.135 0.000 0.976 588 Q CA 1.361 57.168 55.803 0.008 0.000 0.875 588 Q CB -0.268 28.489 28.738 0.032 0.000 0.927 588 Q HN 0.278 nan 8.270 nan 0.000 0.450 589 R N -1.439 118.941 120.500 -0.200 0.000 2.241 589 R HA -0.121 4.220 4.340 0.001 0.000 0.224 589 R C 0.411 176.083 176.300 -1.046 0.000 1.101 589 R CA 1.134 56.925 56.100 -0.515 0.000 0.995 589 R CB 0.084 30.087 30.300 -0.494 0.000 0.870 589 R HN 0.330 nan 8.270 nan 0.000 0.463 590 Y N -1.314 118.672 120.300 -0.523 0.000 2.738 590 Y HA 0.284 4.834 4.550 0.001 0.000 0.249 590 Y C -0.474 174.908 175.900 -0.863 0.000 1.153 590 Y CA -0.509 56.950 58.100 -1.068 0.000 1.165 590 Y CB 1.201 39.250 38.460 -0.685 0.000 1.235 590 Y HN -0.280 nan 8.280 nan 0.000 0.559 591 V N 1.169 120.882 119.914 -0.334 0.000 2.604 591 V HA 0.199 4.319 4.120 0.001 0.000 0.305 591 V C 0.089 176.319 176.094 0.227 0.000 1.043 591 V CA -0.700 61.595 62.300 -0.009 0.000 0.888 591 V CB 1.997 33.839 31.823 0.032 0.000 0.995 591 V HN 0.285 nan 8.190 nan 0.000 0.429 592 D N 1.720 122.341 120.400 0.367 0.000 2.355 592 D HA 0.025 4.665 4.640 0.001 0.000 0.206 592 D C 0.639 177.055 176.300 0.193 0.000 1.010 592 D CA 0.378 54.589 54.000 0.351 0.000 0.875 592 D CB 0.228 41.279 40.800 0.419 0.000 0.966 592 D HN 0.415 nan 8.370 nan 0.000 0.512 593 N N 0.337 119.123 118.700 0.143 0.000 2.577 593 N HA 0.196 4.936 4.740 0.001 0.000 0.296 593 N C 0.220 175.767 175.510 0.062 0.000 1.357 593 N CA -0.259 52.838 53.050 0.079 0.000 0.896 593 N CB 0.193 38.708 38.487 0.048 0.000 1.102 593 N HN 0.026 nan 8.380 nan 0.000 0.506 594 N N -0.179 118.542 118.700 0.035 0.000 2.989 594 N HA 0.562 5.302 4.740 0.001 0.000 0.338 594 N C -0.721 174.795 175.510 0.010 0.000 1.369 594 N CA -0.350 52.718 53.050 0.030 0.000 0.794 594 N CB 1.219 39.720 38.487 0.024 0.000 1.359 594 N HN 0.323 nan 8.380 nan 0.000 0.609 595 I N -0.005 120.565 120.570 0.001 0.000 2.644 595 I HA 0.099 4.269 4.170 0.001 0.000 0.291 595 I C -0.487 175.614 176.117 -0.028 0.000 1.180 595 I CA -0.585 60.698 61.300 -0.028 0.000 1.040 595 I CB 2.212 40.196 38.000 -0.026 0.000 1.255 595 I HN 0.310 nan 8.210 nan 0.000 0.422 596 S N 5.682 121.354 115.700 -0.046 0.000 2.448 596 S HA 0.448 4.918 4.470 0.001 0.000 0.279 596 S C -0.565 174.009 174.600 -0.044 0.000 1.195 596 S CA -0.035 58.140 58.200 -0.041 0.000 1.051 596 S CB 0.077 63.248 63.200 -0.048 0.000 0.948 596 S HN 0.545 nan 8.310 nan 0.000 0.493 597 K N 3.093 123.484 120.400 -0.016 0.000 2.565 597 K HA 0.363 4.683 4.320 0.001 0.000 0.251 597 K C -0.792 175.819 176.600 0.019 0.000 0.956 597 K CA -0.411 55.883 56.287 0.011 0.000 0.809 597 K CB 1.797 34.324 32.500 0.044 0.000 1.267 597 K HN 0.569 nan 8.250 nan 0.000 0.438 598 T N 3.560 118.119 114.554 0.008 0.000 2.767 598 T HA 0.438 4.788 4.350 0.001 0.000 0.284 598 T C 0.199 174.864 174.700 -0.059 0.000 0.973 598 T CA -0.841 61.254 62.100 -0.008 0.000 0.996 598 T CB 0.253 69.107 68.868 -0.023 0.000 0.927 598 T HN 0.428 nan 8.240 nan 0.000 0.456 599 I N 5.021 125.564 120.570 -0.046 0.000 2.278 599 I HA 0.143 4.314 4.170 0.001 0.000 0.300 599 I C 0.680 176.669 176.117 -0.213 0.000 1.174 599 I CA -0.517 60.705 61.300 -0.130 0.000 1.347 599 I CB -1.316 36.693 38.000 0.016 0.000 1.473 599 I HN 0.677 nan 8.210 nan 0.000 0.595 600 N N 7.998 126.421 118.700 -0.462 0.000 2.412 600 N HA 0.175 4.916 4.740 0.001 0.000 0.258 600 N C -0.113 175.304 175.510 -0.154 0.000 1.236 600 N CA 0.407 53.309 53.050 -0.247 0.000 0.882 600 N CB 1.212 39.580 38.487 -0.199 0.000 1.066 600 N HN 0.483 nan 8.380 nan 0.000 0.465 601 M N 2.458 122.009 119.600 -0.083 0.000 2.535 601 M HA 0.429 4.910 4.480 0.001 0.000 0.314 601 M C -2.419 173.850 176.300 -0.050 0.000 1.153 601 M CA -1.922 53.348 55.300 -0.051 0.000 0.924 601 M CB 2.332 34.894 32.600 -0.064 0.000 1.710 601 M HN 0.170 nan 8.290 nan 0.000 0.451 602 P HA 0.089 nan 4.420 nan 0.000 0.274 602 P C -0.074 177.194 177.300 -0.053 0.000 1.237 602 P CA -0.086 63.004 63.100 -0.017 0.000 0.793 602 P CB 0.779 32.485 31.700 0.011 0.000 0.977 603 Q N 1.806 121.568 119.800 -0.063 0.000 2.197 603 Q HA -0.229 4.112 4.340 0.001 0.000 0.211 603 Q C 1.670 177.647 176.000 -0.038 0.000 0.993 603 Q CA 2.694 58.440 55.803 -0.094 0.000 0.883 603 Q CB -0.464 28.235 28.738 -0.066 0.000 0.916 603 Q HN 0.567 nan 8.270 nan 0.000 0.418 604 S N -0.678 115.032 115.700 0.017 0.000 2.607 604 S HA 0.243 4.714 4.470 0.001 0.000 0.224 604 S C 0.607 175.275 174.600 0.113 0.000 0.969 604 S CA 0.016 58.259 58.200 0.071 0.000 0.927 604 S CB -0.168 63.064 63.200 0.053 0.000 0.772 604 S HN 0.485 nan 8.310 nan 0.000 0.533 605 A N 2.373 125.255 122.820 0.103 0.000 2.561 605 A HA 0.451 4.771 4.320 0.001 0.000 0.234 605 A C 0.891 178.679 177.584 0.339 0.000 1.055 605 A CA 0.326 52.455 52.037 0.154 0.000 0.756 605 A CB -0.200 18.858 19.000 0.096 0.000 0.986 605 A HN 0.695 nan 8.150 nan 0.000 0.505 606 T N -0.954 113.720 114.554 0.200 0.000 2.936 606 T HA 0.427 4.778 4.350 0.001 0.000 0.282 606 T C 1.062 175.747 174.700 -0.026 0.000 1.003 606 T CA -0.145 61.996 62.100 0.068 0.000 1.005 606 T CB 0.978 69.829 68.868 -0.028 0.000 1.097 606 T HN 0.476 nan 8.240 nan 0.000 0.532 607 V N 1.047 120.766 119.914 -0.326 0.000 2.469 607 V HA -0.141 3.980 4.120 0.001 0.000 0.251 607 V C 2.400 178.441 176.094 -0.089 0.000 1.064 607 V CA 1.952 64.116 62.300 -0.227 0.000 1.066 607 V CB -0.781 30.861 31.823 -0.301 0.000 0.667 607 V HN 0.887 nan 8.190 nan 0.000 0.461 608 D N -0.113 120.244 120.400 -0.073 0.000 2.149 608 D HA -0.142 4.499 4.640 0.001 0.000 0.201 608 D C 1.802 178.087 176.300 -0.026 0.000 0.972 608 D CA 1.288 55.270 54.000 -0.029 0.000 0.835 608 D CB -0.093 40.698 40.800 -0.015 0.000 0.966 608 D HN 0.440 nan 8.370 nan 0.000 0.476 609 D N 0.726 121.119 120.400 -0.011 0.000 2.116 609 D HA -0.129 4.512 4.640 0.001 0.000 0.193 609 D C 2.347 178.613 176.300 -0.057 0.000 0.998 609 D CA 0.553 54.550 54.000 -0.005 0.000 0.836 609 D CB -0.369 40.451 40.800 0.033 0.000 0.951 609 D HN 0.096 nan 8.370 nan 0.000 0.449 610 V N 1.066 120.927 119.914 -0.088 0.000 2.343 610 V HA -0.223 3.898 4.120 0.001 0.000 0.247 610 V C 2.695 178.448 176.094 -0.569 0.000 1.051 610 V CA 1.144 63.279 62.300 -0.275 0.000 1.036 610 V CB -0.534 31.161 31.823 -0.214 0.000 0.654 610 V HN 0.178 nan 8.190 nan 0.000 0.451 611 L N 0.376 121.398 121.223 -0.334 0.000 2.046 611 L HA -0.173 4.167 4.340 0.001 0.000 0.208 611 L C 2.452 179.258 176.870 -0.106 0.000 1.077 611 L CA 1.517 56.244 54.840 -0.189 0.000 0.747 611 L CB -0.680 41.406 42.059 0.044 0.000 0.896 611 L HN 0.409 nan 8.230 nan 0.000 0.432 612 N N -0.548 118.104 118.700 -0.080 0.000 2.309 612 N HA -0.117 4.623 4.740 0.001 0.000 0.182 612 N C 1.864 177.367 175.510 -0.011 0.000 1.018 612 N CA 1.005 54.034 53.050 -0.036 0.000 0.876 612 N CB -0.287 38.192 38.487 -0.013 0.000 0.972 612 N HN 0.151 nan 8.380 nan 0.000 0.434 613 V N 1.043 120.934 119.914 -0.037 0.000 2.343 613 V HA -0.229 3.892 4.120 0.001 0.000 0.247 613 V C 1.924 178.131 176.094 0.188 0.000 1.051 613 V CA 1.391 63.718 62.300 0.045 0.000 1.036 613 V CB -0.653 31.181 31.823 0.019 0.000 0.654 613 V HN 0.192 nan 8.190 nan 0.000 0.451 614 Y N -0.261 120.089 120.300 0.083 0.000 2.220 614 Y HA -0.048 4.502 4.550 0.001 0.000 0.291 614 Y C 2.302 178.230 175.900 0.047 0.000 1.129 614 Y CA 0.547 58.722 58.100 0.125 0.000 1.161 614 Y CB -0.967 37.627 38.460 0.223 0.000 0.997 614 Y HN 0.162 nan 8.280 nan 0.000 0.522 615 L N -0.374 120.918 121.223 0.113 0.000 2.046 615 L HA -0.214 4.126 4.340 0.001 0.000 0.208 615 L C 2.471 179.318 176.870 -0.039 0.000 1.077 615 L CA 1.839 56.627 54.840 -0.087 0.000 0.747 615 L CB -0.438 41.498 42.059 -0.205 0.000 0.896 615 L HN 0.104 nan 8.230 nan 0.000 0.432 616 E N 0.469 120.676 120.200 0.012 0.000 2.106 616 E HA -0.166 4.185 4.350 0.001 0.000 0.192 616 E C 2.100 178.722 176.600 0.036 0.000 0.984 616 E CA 1.355 57.768 56.400 0.021 0.000 0.806 616 E CB -0.101 29.623 29.700 0.040 0.000 0.750 616 E HN 0.349 nan 8.360 nan 0.000 0.458 617 A N 0.471 123.345 122.820 0.090 0.000 1.908 617 A HA -0.160 4.160 4.320 0.001 0.000 0.218 617 A C 2.270 179.830 177.584 -0.040 0.000 1.181 617 A CA 1.544 53.646 52.037 0.109 0.000 0.627 617 A CB -0.773 18.382 19.000 0.258 0.000 0.818 617 A HN 0.354 nan 8.150 nan 0.000 0.445 618 L N -1.563 119.585 121.223 -0.124 0.000 2.201 618 L HA -0.113 4.227 4.340 0.001 0.000 0.212 618 L C 2.794 179.544 176.870 -0.200 0.000 1.105 618 L CA 1.098 55.754 54.840 -0.306 0.000 0.775 618 L CB -0.337 41.563 42.059 -0.266 0.000 0.913 618 L HN 0.342 nan 8.230 nan 0.000 0.440 619 R N -0.386 120.049 120.500 -0.108 0.000 2.062 619 R HA -0.063 4.277 4.340 0.001 0.000 0.229 619 R C 1.580 177.851 176.300 -0.050 0.000 1.128 619 R CA 1.313 57.372 56.100 -0.068 0.000 0.960 619 R CB -0.283 29.994 30.300 -0.039 0.000 0.855 619 R HN 0.467 nan 8.270 nan 0.000 0.432 620 T N -1.143 113.394 114.554 -0.029 0.000 2.750 620 T HA 0.001 4.351 4.350 0.001 0.000 0.351 620 T C 0.918 175.609 174.700 -0.015 0.000 1.082 620 T CA -0.132 61.966 62.100 -0.003 0.000 1.022 620 T CB 0.284 69.172 68.868 0.033 0.000 1.249 620 T HN 0.082 nan 8.240 nan 0.000 0.520 621 N N 0.266 118.973 118.700 0.012 0.000 2.230 621 N HA 0.153 4.893 4.740 0.001 0.000 0.202 621 N C 0.562 176.106 175.510 0.056 0.000 1.119 621 N CA 0.069 53.131 53.050 0.020 0.000 0.851 621 N CB 0.209 38.692 38.487 -0.006 0.000 0.990 621 N HN 0.671 nan 8.380 nan 0.000 0.497 622 V N -0.144 119.823 119.914 0.089 0.000 3.032 622 V HA 0.085 4.205 4.120 0.001 0.000 0.307 622 V C 1.129 177.381 176.094 0.263 0.000 1.097 622 V CA 0.013 62.410 62.300 0.161 0.000 1.191 622 V CB 0.862 32.804 31.823 0.199 0.000 0.964 622 V HN -0.033 nan 8.190 nan 0.000 0.494 623 R N 1.968 122.623 120.500 0.258 0.000 2.397 623 R HA 0.499 4.839 4.340 0.001 0.000 0.241 623 R C 0.566 176.992 176.300 0.210 0.000 0.914 623 R CA 0.654 56.940 56.100 0.309 0.000 1.071 623 R CB 0.880 31.283 30.300 0.172 0.000 1.116 623 R HN 1.163 nan 8.270 nan 0.000 0.524 624 G N -0.529 108.317 108.800 0.077 0.000 2.632 624 G HA2 0.433 4.393 3.960 0.001 0.000 0.292 624 G HA3 0.433 4.393 3.960 0.001 0.000 0.292 624 G C -1.841 172.976 174.900 -0.139 0.000 1.465 624 G CA -0.478 44.469 45.100 -0.256 0.000 0.824 624 G HN -0.097 nan 8.290 nan 0.000 0.509 625 I N 0.658 121.094 120.570 -0.222 0.000 2.582 625 I HA 0.553 4.723 4.170 0.001 0.000 0.292 625 I C -0.490 175.616 176.117 -0.019 0.000 1.066 625 I CA -0.563 60.717 61.300 -0.034 0.000 1.053 625 I CB 2.116 40.147 38.000 0.052 0.000 1.241 625 I HN 0.388 nan 8.210 nan 0.000 0.421 626 T N 5.365 119.941 114.554 0.037 0.000 2.840 626 T HA 0.505 4.855 4.350 0.001 0.000 0.287 626 T C -0.443 174.306 174.700 0.081 0.000 0.991 626 T CA -0.472 61.658 62.100 0.051 0.000 0.964 626 T CB 1.852 70.735 68.868 0.025 0.000 0.954 626 T HN 0.443 nan 8.240 nan 0.000 0.438 627 V N 2.884 122.865 119.914 0.110 0.000 2.581 627 V HA 0.804 4.924 4.120 0.001 0.000 0.303 627 V C -1.632 174.521 176.094 0.098 0.000 1.041 627 V CA -0.846 61.506 62.300 0.085 0.000 0.907 627 V CB 1.633 33.507 31.823 0.085 0.000 0.994 627 V HN 0.827 nan 8.190 nan 0.000 0.442 628 Y N 4.753 125.019 120.300 -0.057 0.000 2.327 628 Y HA 0.585 5.135 4.550 0.001 0.000 0.325 628 Y C -0.027 175.819 175.900 -0.091 0.000 0.999 628 Y CA -0.813 57.239 58.100 -0.079 0.000 1.195 628 Y CB 1.468 39.870 38.460 -0.096 0.000 1.132 628 Y HN 0.923 nan 8.280 nan 0.000 0.455 629 R N 4.522 124.467 120.500 -0.924 0.000 2.221 629 R HA 0.163 4.504 4.340 0.001 0.000 0.327 629 R C -0.772 175.030 176.300 -0.830 0.000 1.033 629 R CA -0.541 55.148 56.100 -0.685 0.000 0.887 629 R CB 0.388 30.319 30.300 -0.616 0.000 1.057 629 R HN 0.834 nan 8.270 nan 0.000 0.455 630 D N 3.300 123.484 120.400 -0.360 0.000 2.531 630 D HA 0.044 4.684 4.640 0.001 0.000 0.239 630 D C 0.099 176.295 176.300 -0.172 0.000 1.144 630 D CA 1.975 55.908 54.000 -0.111 0.000 0.869 630 D CB 0.416 41.226 40.800 0.016 0.000 1.160 630 D HN 0.788 nan 8.370 nan 0.000 0.484 631 G N 2.426 111.186 108.800 -0.066 0.000 2.828 631 G HA2 0.017 3.977 3.960 0.001 0.000 0.262 631 G HA3 0.017 3.977 3.960 0.001 0.000 0.262 631 G C -0.139 174.650 174.900 -0.185 0.000 1.033 631 G CA 0.049 45.098 45.100 -0.085 0.000 1.248 631 G HN 0.594 nan 8.290 nan 0.000 0.551 632 S N 0.000 115.648 115.700 -0.087 0.000 2.498 632 S HA 0.000 4.470 4.470 0.001 0.000 0.327 632 S CA 0.000 58.113 58.200 -0.145 0.000 1.107 632 S CB 0.000 63.031 63.200 -0.282 0.000 0.593 632 S HN 0.000 nan 8.310 nan 0.000 0.517