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 3hyx_1_C DATA FIRST_RESID 2 DATA SEQUENCE AKHVVVIGGG VGGIATAYNL RNLMPDLKIT LISDRPYFGF TPAFPHLAMG DATA SEQUENCE WRKFEDISVP LAPLLPKFNI EFINEKAESI DPDANTVTTQ SGKKIEYDYL DATA SEQUENCE VIATGPKLVF GAEGQEENST SICTAEHALE TQKKLQELYA NPGPVVIGAI DATA SEQUENCE PGVSXFGPAY EFALMLHYEL KKRGIRYKVP MTFITSEPYL GHFGVGGIGA DATA SEQUENCE SKRLVEDLFA ERNIDWIANV AVKAIEPDKV IYEDLNGNTH EVPAKFTMFM DATA SEQUENCE PSFQGPEVVA SAGDKVANPA NKMVIVNRcF QNPTYKNIFG VGVVTAIPPI DATA SEQUENCE EKTPIPTGVP KTGMMIEQMA MAVAHNIVND IRNNPDKYAP RLSAICIADF DATA SEQUENCE GEDAGFFFAD PVIPPRERVI TKMGKWAHYF KTAFEKYFLW KVRNGNIAPS DATA SEQUENCE FEEKVLEIFL KVHPIELcKD cEGAPGSRc 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.634 177.584 0.083 0.000 1.274 2 A CA 0.000 52.067 52.037 0.049 0.000 0.836 2 A CB 0.000 19.018 19.000 0.031 0.000 0.831 3 K N 1.135 121.608 120.400 0.122 0.000 2.168 3 K HA 0.301 4.621 4.320 -0.000 0.000 0.258 3 K C -0.435 176.321 176.600 0.260 0.000 1.010 3 K CA -0.093 56.313 56.287 0.198 0.000 0.929 3 K CB 0.606 33.262 32.500 0.260 0.000 0.998 3 K HN 0.856 nan 8.250 nan 0.000 0.479 4 H N 0.378 119.556 119.070 0.180 0.000 2.587 4 H HA 0.334 4.890 4.556 -0.000 0.000 0.325 4 H C -1.288 174.188 175.328 0.247 0.000 1.012 4 H CA -0.721 55.430 56.048 0.171 0.000 1.213 4 H CB 1.383 31.223 29.762 0.131 0.000 1.431 4 H HN 0.177 nan 8.280 nan 0.000 0.492 5 V N 6.707 126.826 119.914 0.342 0.000 2.513 5 V HA 0.445 4.565 4.120 -0.000 0.000 0.299 5 V C -0.771 175.359 176.094 0.059 0.000 1.035 5 V CA -0.473 61.943 62.300 0.194 0.000 0.889 5 V CB 1.519 33.448 31.823 0.176 0.000 0.988 5 V HN 0.563 nan 8.190 nan 0.000 0.440 6 V N 5.497 125.383 119.914 -0.046 0.000 2.487 6 V HA 0.741 4.861 4.120 -0.000 0.000 0.298 6 V C -0.676 175.392 176.094 -0.043 0.000 1.028 6 V CA -0.486 61.776 62.300 -0.062 0.000 0.860 6 V CB 1.502 33.244 31.823 -0.134 0.000 0.991 6 V HN 0.616 nan 8.190 nan 0.000 0.427 7 V N 6.858 126.778 119.914 0.012 0.000 2.350 7 V HA 0.460 4.580 4.120 -0.000 0.000 0.276 7 V C 0.215 176.319 176.094 0.016 0.000 1.028 7 V CA -0.308 62.002 62.300 0.017 0.000 0.860 7 V CB 1.206 33.055 31.823 0.044 0.000 0.990 7 V HN 0.829 nan 8.190 nan 0.000 0.453 8 I N 4.971 125.538 120.570 -0.005 0.000 2.291 8 I HA 0.691 4.861 4.170 -0.000 0.000 0.290 8 I C 0.760 176.887 176.117 0.016 0.000 1.050 8 I CA 0.078 61.376 61.300 -0.003 0.000 1.245 8 I CB 0.912 38.895 38.000 -0.029 0.000 1.405 8 I HN 0.854 nan 8.210 nan 0.000 0.478 9 G N 3.532 112.356 108.800 0.040 0.000 3.239 9 G HA2 0.059 4.019 3.960 -0.000 0.000 0.666 9 G HA3 0.059 4.019 3.960 -0.000 0.000 0.666 9 G C -0.073 174.877 174.900 0.084 0.000 1.313 9 G CA -0.578 44.550 45.100 0.047 0.000 1.001 9 G HN 0.876 nan 8.290 nan 0.000 0.573 10 G N 0.483 109.351 108.800 0.114 0.000 3.678 10 G HA2 0.643 4.603 3.960 -0.000 0.000 0.287 10 G HA3 0.643 4.603 3.960 -0.000 0.000 0.287 10 G C 0.839 175.865 174.900 0.210 0.000 1.280 10 G CA 0.941 46.134 45.100 0.155 0.000 1.118 10 G HN 1.214 nan 8.290 nan 0.000 0.563 11 G N -0.578 108.321 108.800 0.165 0.000 2.736 11 G HA2 0.353 4.313 3.960 -0.000 0.000 0.229 11 G HA3 0.353 4.313 3.960 -0.000 0.000 0.229 11 G C 1.173 176.302 174.900 0.381 0.000 1.380 11 G CA 0.167 45.387 45.100 0.200 0.000 1.040 11 G HN 0.018 nan 8.290 nan 0.000 0.568 12 V N 1.085 121.199 119.914 0.332 0.000 2.231 12 V HA -0.132 3.988 4.120 -0.000 0.000 0.248 12 V C 3.132 179.326 176.094 0.167 0.000 1.054 12 V CA 2.728 65.232 62.300 0.340 0.000 1.015 12 V CB -1.287 30.652 31.823 0.193 0.000 0.638 12 V HN 0.785 nan 8.190 nan 0.000 0.444 13 G N -0.273 108.581 108.800 0.089 0.000 2.433 13 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.216 13 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.216 13 G C 1.647 176.556 174.900 0.015 0.000 1.186 13 G CA 1.042 46.166 45.100 0.040 0.000 0.779 13 G HN 0.621 nan 8.290 nan 0.000 0.543 14 G N 1.187 110.004 108.800 0.027 0.000 2.491 14 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.218 14 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.218 14 G C 1.679 176.543 174.900 -0.060 0.000 1.180 14 G CA 1.094 46.199 45.100 0.009 0.000 0.774 14 G HN 0.301 nan 8.290 nan 0.000 0.562 15 I N 1.871 122.368 120.570 -0.121 0.000 2.226 15 I HA -0.116 4.054 4.170 -0.000 0.000 0.245 15 I C 3.265 179.082 176.117 -0.499 0.000 1.100 15 I CA 1.178 62.224 61.300 -0.422 0.000 1.374 15 I CB -1.377 36.277 38.000 -0.576 0.000 1.057 15 I HN 0.274 nan 8.210 nan 0.000 0.413 16 A N 0.686 123.353 122.820 -0.254 0.000 1.877 16 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 16 A C 2.429 179.954 177.584 -0.099 0.000 1.186 16 A CA 2.477 54.415 52.037 -0.164 0.000 0.620 16 A CB -1.131 17.841 19.000 -0.046 0.000 0.822 16 A HN 0.432 nan 8.150 nan 0.000 0.443 17 T N 0.580 115.089 114.554 -0.074 0.000 2.684 17 T HA -0.051 4.299 4.350 -0.000 0.000 0.267 17 T C 2.209 176.884 174.700 -0.041 0.000 1.036 17 T CA 1.738 63.804 62.100 -0.057 0.000 1.148 17 T CB -0.571 68.271 68.868 -0.044 0.000 0.863 17 T HN 0.599 nan 8.240 nan 0.000 0.436 18 A N 0.774 123.578 122.820 -0.027 0.000 1.877 18 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 18 A C 2.163 179.825 177.584 0.129 0.000 1.186 18 A CA 1.325 53.389 52.037 0.046 0.000 0.620 18 A CB -1.015 18.025 19.000 0.067 0.000 0.822 18 A HN 0.466 nan 8.150 nan 0.000 0.443 19 Y N 0.839 121.061 120.300 -0.129 0.000 2.181 19 Y HA -0.151 4.399 4.550 -0.000 0.000 0.288 19 Y C 2.499 178.287 175.900 -0.187 0.000 1.146 19 Y CA 0.899 58.876 58.100 -0.205 0.000 1.164 19 Y CB -0.854 37.428 38.460 -0.298 0.000 0.982 19 Y HN 0.336 nan 8.280 nan 0.000 0.515 20 N N 0.270 118.976 118.700 0.010 0.000 2.069 20 N HA -0.172 4.568 4.740 -0.000 0.000 0.191 20 N C 2.084 177.530 175.510 -0.107 0.000 1.031 20 N CA 1.215 54.224 53.050 -0.069 0.000 0.852 20 N CB -0.743 37.700 38.487 -0.074 0.000 1.018 20 N HN 0.312 nan 8.380 nan 0.000 0.423 21 L N 0.673 121.844 121.223 -0.086 0.000 1.989 21 L HA -0.178 4.162 4.340 -0.000 0.000 0.211 21 L C 2.571 179.397 176.870 -0.074 0.000 1.071 21 L CA 1.254 56.036 54.840 -0.097 0.000 0.749 21 L CB -0.381 41.638 42.059 -0.067 0.000 0.890 21 L HN 0.113 nan 8.230 nan 0.000 0.431 22 R N 0.759 121.234 120.500 -0.040 0.000 2.127 22 R HA -0.172 4.168 4.340 -0.000 0.000 0.238 22 R C 1.678 177.928 176.300 -0.085 0.000 1.134 22 R CA 1.978 58.051 56.100 -0.045 0.000 0.975 22 R CB -0.646 29.634 30.300 -0.034 0.000 0.865 22 R HN 0.492 nan 8.270 nan 0.000 0.447 23 N N -0.824 117.807 118.700 -0.115 0.000 2.376 23 N HA 0.024 4.764 4.740 -0.000 0.000 0.177 23 N C 1.342 176.786 175.510 -0.109 0.000 1.024 23 N CA 0.735 53.712 53.050 -0.121 0.000 0.893 23 N CB 0.081 38.483 38.487 -0.142 0.000 0.980 23 N HN 0.156 nan 8.380 nan 0.000 0.439 24 L N -0.137 121.006 121.223 -0.134 0.000 2.131 24 L HA 0.105 4.445 4.340 -0.000 0.000 0.206 24 L C 0.803 177.611 176.870 -0.102 0.000 1.087 24 L CA 0.696 55.446 54.840 -0.150 0.000 0.767 24 L CB 0.161 42.070 42.059 -0.250 0.000 0.917 24 L HN 0.181 nan 8.230 nan 0.000 0.441 25 M N -0.626 118.923 119.600 -0.085 0.000 1.956 25 M HA 0.257 4.737 4.480 -0.000 0.000 0.256 25 M C -2.147 174.132 176.300 -0.035 0.000 0.869 25 M CA -1.617 53.651 55.300 -0.054 0.000 0.886 25 M CB 1.692 34.259 32.600 -0.055 0.000 1.739 25 M HN -0.263 nan 8.290 nan 0.000 0.381 26 P HA -0.146 nan 4.420 nan 0.000 0.218 26 P C 0.288 177.585 177.300 -0.006 0.000 1.148 26 P CA 1.331 64.419 63.100 -0.020 0.000 0.822 26 P CB 0.023 31.712 31.700 -0.019 0.000 0.784 27 D N -1.771 118.627 120.400 -0.003 0.000 2.342 27 D HA 0.040 4.680 4.640 -0.000 0.000 0.221 27 D C 0.282 176.591 176.300 0.016 0.000 1.101 27 D CA -0.238 53.765 54.000 0.005 0.000 0.837 27 D CB -0.550 40.253 40.800 0.006 0.000 0.938 27 D HN 0.102 nan 8.370 nan 0.000 0.508 28 L N 0.956 122.190 121.223 0.018 0.000 2.305 28 L HA 0.305 4.645 4.340 -0.000 0.000 0.281 28 L C -0.084 176.819 176.870 0.054 0.000 1.085 28 L CA -0.400 54.464 54.840 0.040 0.000 0.813 28 L CB 0.939 43.015 42.059 0.028 0.000 1.157 28 L HN -0.228 nan 8.230 nan 0.000 0.436 29 K N 6.531 126.974 120.400 0.071 0.000 2.297 29 K HA 0.441 4.761 4.320 -0.000 0.000 0.286 29 K C -1.001 175.708 176.600 0.180 0.000 1.053 29 K CA -0.098 56.224 56.287 0.059 0.000 0.940 29 K CB 0.761 33.220 32.500 -0.068 0.000 1.019 29 K HN 0.561 nan 8.250 nan 0.000 0.475 30 I N 1.976 122.642 120.570 0.160 0.000 2.406 30 I HA 0.199 4.369 4.170 -0.000 0.000 0.290 30 I C -0.200 176.050 176.117 0.221 0.000 0.999 30 I CA -0.647 60.776 61.300 0.204 0.000 1.124 30 I CB 2.163 40.249 38.000 0.143 0.000 1.289 30 I HN 0.398 nan 8.210 nan 0.000 0.441 31 T N 7.050 121.767 114.554 0.272 0.000 2.786 31 T HA 0.484 4.834 4.350 -0.000 0.000 0.283 31 T C -0.597 174.197 174.700 0.157 0.000 0.992 31 T CA -0.358 61.881 62.100 0.231 0.000 0.954 31 T CB 1.215 70.276 68.868 0.322 0.000 0.934 31 T HN 0.343 nan 8.240 nan 0.000 0.440 32 L N 5.494 126.821 121.223 0.175 0.000 2.280 32 L HA 0.629 4.969 4.340 -0.000 0.000 0.287 32 L C -1.036 175.915 176.870 0.135 0.000 1.023 32 L CA -0.804 54.143 54.840 0.178 0.000 0.819 32 L CB 0.499 42.709 42.059 0.253 0.000 1.212 32 L HN 0.624 nan 8.230 nan 0.000 0.420 33 I N 3.988 124.586 120.570 0.047 0.000 2.336 33 I HA 0.440 4.610 4.170 -0.000 0.000 0.292 33 I C -0.026 176.091 176.117 -0.000 0.000 0.991 33 I CA -0.141 61.124 61.300 -0.057 0.000 1.227 33 I CB 1.745 39.712 38.000 -0.055 0.000 1.366 33 I HN 0.490 nan 8.210 nan 0.000 0.466 34 S N 3.186 118.861 115.700 -0.041 0.000 2.536 34 S HA 0.234 4.704 4.470 -0.000 0.000 0.271 34 S C 0.029 174.635 174.600 0.010 0.000 1.134 34 S CA -0.781 57.462 58.200 0.071 0.000 0.897 34 S CB 1.307 64.680 63.200 0.289 0.000 1.094 34 S HN 0.749 nan 8.310 nan 0.000 0.473 35 D N 2.829 123.231 120.400 0.002 0.000 2.349 35 D HA 0.057 4.697 4.640 -0.000 0.000 0.224 35 D C 0.228 176.526 176.300 -0.003 0.000 1.029 35 D CA 0.201 54.195 54.000 -0.011 0.000 0.879 35 D CB 0.015 40.804 40.800 -0.017 0.000 0.906 35 D HN 0.381 nan 8.370 nan 0.000 0.528 36 R N 0.461 120.960 120.500 -0.003 0.000 2.621 36 R HA 0.320 4.660 4.340 -0.000 0.000 0.292 36 R C -2.157 174.185 176.300 0.071 0.000 0.969 36 R CA -1.701 54.340 56.100 -0.099 0.000 0.887 36 R CB 2.197 32.205 30.300 -0.487 0.000 1.180 36 R HN -0.143 nan 8.270 nan 0.000 0.450 37 P HA -0.031 nan 4.420 nan 0.000 0.249 37 P C -0.950 176.484 177.300 0.222 0.000 1.229 37 P CA 0.649 63.933 63.100 0.307 0.000 0.788 37 P CB 0.097 31.982 31.700 0.308 0.000 1.072 38 Y N -2.107 118.297 120.300 0.174 0.000 2.570 38 Y HA 0.676 5.226 4.550 -0.000 0.000 0.345 38 Y C -0.919 175.097 175.900 0.192 0.000 1.014 38 Y CA -2.524 55.669 58.100 0.155 0.000 1.063 38 Y CB 0.567 39.153 38.460 0.209 0.000 1.272 38 Y HN -0.253 nan 8.280 nan 0.000 0.477 39 F N 2.129 122.196 119.950 0.194 0.000 2.410 39 F HA 0.765 5.292 4.527 0.000 0.000 0.349 39 F C 0.219 176.239 175.800 0.367 0.000 1.117 39 F CA -0.764 57.331 58.000 0.157 0.000 1.104 39 F CB 1.028 40.078 39.000 0.084 0.000 1.122 39 F HN 0.851 nan 8.300 nan 0.000 0.483 40 G N 5.896 114.402 108.800 -0.488 0.000 2.319 40 G HA2 0.267 4.227 3.960 -0.000 0.000 0.308 40 G HA3 0.267 4.227 3.960 -0.000 0.000 0.308 40 G C -1.432 173.019 174.900 -0.748 0.000 1.117 40 G CA -0.506 44.530 45.100 -0.106 0.000 0.903 40 G HN 0.690 nan 8.290 nan 0.000 0.436 41 F N 4.442 124.150 119.950 -0.404 0.000 2.566 41 F HA 0.214 4.741 4.527 -0.000 0.000 0.349 41 F C 1.948 177.393 175.800 -0.591 0.000 1.245 41 F CA -0.772 57.018 58.000 -0.350 0.000 1.169 41 F CB 0.040 39.066 39.000 0.044 0.000 1.470 41 F HN 0.514 nan 8.300 nan 0.000 0.634 42 T N 2.481 116.293 114.554 -1.236 0.000 2.720 42 T HA -0.138 4.212 4.350 -0.000 0.000 0.268 42 T C -0.575 173.521 174.700 -1.007 0.000 1.037 42 T CA 1.065 62.230 62.100 -1.559 0.000 1.144 42 T CB -1.431 66.874 68.868 -0.938 0.000 0.864 42 T HN 0.343 nan 8.240 nan 0.000 0.444 43 P HA 0.110 nan 4.420 nan 0.000 0.224 43 P C 0.967 178.158 177.300 -0.180 0.000 1.142 43 P CA 1.117 63.857 63.100 -0.601 0.000 0.778 43 P CB -0.308 30.936 31.700 -0.760 0.000 0.764 44 A N -2.806 119.947 122.820 -0.112 0.000 2.390 44 A HA 0.153 4.473 4.320 -0.000 0.000 0.232 44 A C 1.308 179.265 177.584 0.623 0.000 1.233 44 A CA -0.195 52.105 52.037 0.438 0.000 0.907 44 A CB -0.873 18.429 19.000 0.503 0.000 0.967 44 A HN -0.048 nan 8.150 nan 0.000 0.512 45 F N 1.043 121.104 119.950 0.186 0.000 2.171 45 F HA -0.007 4.520 4.527 -0.000 0.000 0.300 45 F C -0.527 175.368 175.800 0.159 0.000 1.090 45 F CA 0.859 58.956 58.000 0.161 0.000 1.293 45 F CB -1.888 37.166 39.000 0.091 0.000 1.013 45 F HN 0.198 nan 8.300 nan 0.000 0.486 46 P HA -0.138 nan 4.420 nan 0.000 0.215 46 P C 1.107 178.440 177.300 0.055 0.000 1.153 46 P CA 1.797 65.005 63.100 0.181 0.000 0.853 46 P CB -0.210 31.523 31.700 0.055 0.000 0.788 47 H N -1.603 117.595 119.070 0.213 0.000 2.423 47 H HA -0.043 4.513 4.556 -0.000 0.000 0.297 47 H C 1.817 177.207 175.328 0.103 0.000 1.075 47 H CA 0.701 56.845 56.048 0.160 0.000 1.342 47 H CB -1.007 28.981 29.762 0.377 0.000 1.395 47 H HN 0.037 nan 8.280 nan 0.000 0.530 48 L N 0.456 121.854 121.223 0.293 0.000 2.109 48 L HA -0.004 4.336 4.340 -0.000 0.000 0.207 48 L C 2.367 179.296 176.870 0.099 0.000 1.086 48 L CA 1.385 56.342 54.840 0.194 0.000 0.760 48 L CB -0.619 41.549 42.059 0.181 0.000 0.910 48 L HN 0.276 nan 8.230 nan 0.000 0.437 49 A N -0.986 121.902 122.820 0.114 0.000 1.930 49 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 49 A C 2.142 179.763 177.584 0.061 0.000 1.175 49 A CA 1.800 53.918 52.037 0.134 0.000 0.627 49 A CB -0.474 18.682 19.000 0.260 0.000 0.815 49 A HN 0.432 nan 8.150 nan 0.000 0.443 50 M N -1.522 118.000 119.600 -0.130 0.000 2.476 50 M HA 0.069 4.549 4.480 -0.000 0.000 0.262 50 M C 1.492 177.532 176.300 -0.434 0.000 1.079 50 M CA 1.093 56.099 55.300 -0.490 0.000 1.104 50 M CB -1.181 30.677 32.600 -1.237 0.000 1.409 50 M HN 0.842 nan 8.290 nan 0.000 0.467 51 G N -0.780 107.913 108.800 -0.179 0.000 2.165 51 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.226 51 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.226 51 G C -0.033 174.998 174.900 0.219 0.000 1.035 51 G CA -0.015 45.101 45.100 0.028 0.000 0.744 51 G HN 0.527 nan 8.290 nan 0.000 0.501 52 W N -0.013 121.407 121.300 0.200 0.000 3.123 52 W HA 0.496 5.156 4.660 -0.000 0.000 0.383 52 W C 0.773 177.401 176.519 0.181 0.000 1.102 52 W CA -0.704 56.757 57.345 0.193 0.000 1.865 52 W CB 0.039 29.642 29.460 0.239 0.000 1.111 52 W HN 0.112 nan 8.180 nan 0.000 0.621 53 R N 0.722 121.434 120.500 0.353 0.000 2.673 53 R HA 0.352 4.692 4.340 -0.000 0.000 0.281 53 R C -0.153 176.271 176.300 0.206 0.000 0.991 53 R CA -0.845 55.413 56.100 0.263 0.000 0.896 53 R CB 2.077 32.546 30.300 0.281 0.000 1.201 53 R HN -0.047 nan 8.270 nan 0.000 0.457 54 K N 2.002 122.500 120.400 0.164 0.000 2.201 54 K HA 0.189 4.509 4.320 -0.000 0.000 0.278 54 K C 0.956 177.645 176.600 0.149 0.000 1.027 54 K CA -0.328 56.047 56.287 0.146 0.000 0.909 54 K CB 1.091 33.655 32.500 0.107 0.000 1.062 54 K HN 0.469 nan 8.250 nan 0.000 0.465 55 F N 3.063 123.025 119.950 0.019 0.000 2.154 55 F HA -0.263 4.264 4.527 -0.000 0.000 0.301 55 F C 1.351 177.145 175.800 -0.009 0.000 1.087 55 F CA 1.811 59.799 58.000 -0.021 0.000 1.274 55 F CB 0.228 39.163 39.000 -0.109 0.000 1.009 55 F HN 0.623 nan 8.300 nan 0.000 0.485 56 E N 0.228 120.329 120.200 -0.164 0.000 2.204 56 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 56 E C 1.694 178.196 176.600 -0.163 0.000 0.990 56 E CA 1.381 57.646 56.400 -0.225 0.000 0.821 56 E CB -0.429 29.242 29.700 -0.048 0.000 0.750 56 E HN 0.501 nan 8.360 nan 0.000 0.477 57 D N 0.185 120.541 120.400 -0.073 0.000 2.234 57 D HA -0.027 4.613 4.640 -0.000 0.000 0.205 57 D C 1.429 177.720 176.300 -0.015 0.000 0.962 57 D CA 0.762 54.750 54.000 -0.020 0.000 0.855 57 D CB 0.210 41.031 40.800 0.034 0.000 0.951 57 D HN 0.385 nan 8.370 nan 0.000 0.500 58 I N -1.469 119.090 120.570 -0.019 0.000 3.816 58 I HA 0.230 4.400 4.170 -0.000 0.000 0.334 58 I C -0.201 175.959 176.117 0.071 0.000 1.551 58 I CA -0.469 60.891 61.300 0.099 0.000 1.153 58 I CB 0.384 38.556 38.000 0.287 0.000 1.197 58 I HN -0.262 nan 8.210 nan 0.000 0.439 59 S N -0.042 115.588 115.700 -0.117 0.000 2.595 59 S HA 0.826 5.296 4.470 -0.000 0.000 0.281 59 S C -0.757 173.859 174.600 0.026 0.000 1.117 59 S CA -0.667 57.476 58.200 -0.096 0.000 0.873 59 S CB 2.468 65.249 63.200 -0.697 0.000 1.108 59 S HN 0.023 nan 8.310 nan 0.000 0.477 60 V N 1.999 122.035 119.914 0.205 0.000 2.447 60 V HA 0.465 4.585 4.120 -0.000 0.000 0.292 60 V C -2.792 173.397 176.094 0.158 0.000 1.021 60 V CA -1.851 60.537 62.300 0.147 0.000 0.850 60 V CB 1.355 33.259 31.823 0.134 0.000 1.005 60 V HN 0.781 nan 8.190 nan 0.000 0.426 61 P HA 0.246 nan 4.420 nan 0.000 0.267 61 P C 0.625 177.910 177.300 -0.026 0.000 1.205 61 P CA 0.150 63.300 63.100 0.084 0.000 0.765 61 P CB 0.902 32.640 31.700 0.063 0.000 0.828 62 L N 2.598 123.726 121.223 -0.159 0.000 2.253 62 L HA 0.005 4.345 4.340 -0.000 0.000 0.205 62 L C 2.378 178.979 176.870 -0.448 0.000 1.078 62 L CA 1.040 55.624 54.840 -0.426 0.000 0.805 62 L CB -0.798 40.722 42.059 -0.898 0.000 0.963 62 L HN 0.359 nan 8.230 nan 0.000 0.459 63 A N 1.380 124.027 122.820 -0.289 0.000 1.873 63 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 63 A C -0.266 177.312 177.584 -0.010 0.000 1.193 63 A CA 1.994 54.037 52.037 0.011 0.000 0.629 63 A CB -1.925 17.179 19.000 0.175 0.000 0.826 63 A HN 0.312 nan 8.150 nan 0.000 0.447 64 P HA 0.093 nan 4.420 nan 0.000 0.245 64 P C 0.967 178.200 177.300 -0.111 0.000 1.212 64 P CA 0.287 63.356 63.100 -0.051 0.000 0.774 64 P CB 0.288 31.967 31.700 -0.035 0.000 0.999 65 L N -1.292 119.850 121.223 -0.135 0.000 2.435 65 L HA 0.198 4.538 4.340 -0.000 0.000 0.195 65 L C 1.989 178.696 176.870 -0.271 0.000 1.072 65 L CA 1.153 55.880 54.840 -0.190 0.000 0.833 65 L CB -1.009 40.996 42.059 -0.090 0.000 1.081 65 L HN -0.236 nan 8.230 nan 0.000 0.485 66 L N 0.409 121.564 121.223 -0.113 0.000 2.083 66 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 66 L C -0.469 176.353 176.870 -0.080 0.000 1.083 66 L CA 1.068 55.918 54.840 0.016 0.000 0.752 66 L CB -1.918 40.205 42.059 0.108 0.000 0.899 66 L HN 0.236 nan 8.230 nan 0.000 0.433 67 P HA -0.172 nan 4.420 nan 0.000 0.223 67 P C 1.184 178.359 177.300 -0.208 0.000 1.144 67 P CA 1.267 64.311 63.100 -0.092 0.000 0.783 67 P CB -0.026 31.641 31.700 -0.055 0.000 0.771 68 K N -1.592 118.545 120.400 -0.437 0.000 2.288 68 K HA -0.008 4.312 4.320 -0.000 0.000 0.201 68 K C 0.556 176.788 176.600 -0.613 0.000 1.048 68 K CA 0.992 56.915 56.287 -0.606 0.000 0.956 68 K CB -0.209 31.763 32.500 -0.880 0.000 0.746 68 K HN 0.218 nan 8.250 nan 0.000 0.461 69 F N 0.821 120.703 119.950 -0.113 0.000 2.647 69 F HA 0.248 4.775 4.527 -0.000 0.000 0.300 69 F C -0.086 175.667 175.800 -0.079 0.000 1.106 69 F CA -0.850 57.062 58.000 -0.146 0.000 1.313 69 F CB -0.437 38.400 39.000 -0.271 0.000 1.007 69 F HN -0.051 nan 8.300 nan 0.000 0.536 70 N N 1.364 120.079 118.700 0.026 0.000 2.735 70 N HA -0.219 4.521 4.740 -0.000 0.000 0.248 70 N C -0.494 175.061 175.510 0.076 0.000 1.083 70 N CA 0.575 53.645 53.050 0.033 0.000 0.703 70 N CB -1.456 37.046 38.487 0.025 0.000 1.005 70 N HN 0.367 nan 8.380 nan 0.000 0.550 71 I N 0.812 121.448 120.570 0.110 0.000 2.330 71 I HA 0.135 4.305 4.170 -0.000 0.000 0.289 71 I C 0.833 177.042 176.117 0.154 0.000 1.001 71 I CA -0.477 60.915 61.300 0.154 0.000 1.193 71 I CB 1.645 39.781 38.000 0.227 0.000 1.345 71 I HN -0.014 nan 8.210 nan 0.000 0.461 72 E N 6.544 126.832 120.200 0.147 0.000 2.257 72 E HA 0.150 4.500 4.350 -0.000 0.000 0.278 72 E C -1.385 175.347 176.600 0.220 0.000 1.049 72 E CA -0.306 56.183 56.400 0.148 0.000 0.876 72 E CB 0.863 30.624 29.700 0.101 0.000 1.035 72 E HN 0.431 nan 8.360 nan 0.000 0.419 73 F N 5.754 125.737 119.950 0.055 0.000 2.415 73 F HA 0.442 4.969 4.527 -0.000 0.000 0.348 73 F C -0.771 175.057 175.800 0.047 0.000 1.119 73 F CA -0.802 57.231 58.000 0.056 0.000 1.069 73 F CB 0.676 39.708 39.000 0.054 0.000 1.124 73 F HN 0.348 nan 8.300 nan 0.000 0.472 74 I N 5.791 125.961 120.570 -0.667 0.000 2.382 74 I HA 0.161 4.331 4.170 -0.000 0.000 0.285 74 I C -0.400 175.140 176.117 -0.963 0.000 1.007 74 I CA -0.665 60.268 61.300 -0.610 0.000 1.142 74 I CB 1.269 39.119 38.000 -0.250 0.000 1.289 74 I HN 0.535 nan 8.210 nan 0.000 0.453 75 N N 6.383 124.587 118.700 -0.827 0.000 3.245 75 N HA 0.196 4.936 4.740 -0.000 0.000 0.296 75 N C -0.790 174.592 175.510 -0.213 0.000 1.254 75 N CA 0.341 53.088 53.050 -0.503 0.000 1.190 75 N CB 0.029 38.428 38.487 -0.147 0.000 1.460 75 N HN 0.592 nan 8.380 nan 0.000 0.538 76 E N -0.274 119.805 120.200 -0.202 0.000 2.412 76 E HA 0.198 4.548 4.350 -0.000 0.000 0.279 76 E C -1.191 175.361 176.600 -0.080 0.000 0.984 76 E CA -0.865 55.472 56.400 -0.104 0.000 0.788 76 E CB 1.967 31.612 29.700 -0.092 0.000 1.277 76 E HN 0.080 nan 8.360 nan 0.000 0.455 77 K N 1.126 121.498 120.400 -0.047 0.000 2.297 77 K HA 0.424 4.744 4.320 -0.000 0.000 0.286 77 K C -0.866 175.714 176.600 -0.032 0.000 1.053 77 K CA -0.163 56.103 56.287 -0.034 0.000 0.940 77 K CB 0.826 33.313 32.500 -0.022 0.000 1.019 77 K HN 0.535 nan 8.250 nan 0.000 0.475 78 A N 4.266 127.068 122.820 -0.030 0.000 2.444 78 A HA 0.050 4.370 4.320 -0.000 0.000 0.273 78 A C 0.789 178.362 177.584 -0.019 0.000 1.136 78 A CA -0.082 51.940 52.037 -0.025 0.000 0.799 78 A CB 0.328 19.312 19.000 -0.026 0.000 1.081 78 A HN 1.043 nan 8.150 nan 0.000 0.509 79 E N 1.622 121.813 120.200 -0.015 0.000 2.057 79 E HA 0.008 4.358 4.350 -0.000 0.000 0.190 79 E C 0.696 177.289 176.600 -0.011 0.000 0.969 79 E CA 1.107 57.500 56.400 -0.012 0.000 0.812 79 E CB 0.182 29.876 29.700 -0.010 0.000 0.777 79 E HN 0.828 nan 8.360 nan 0.000 0.455 80 S N -0.671 115.024 115.700 -0.009 0.000 2.632 80 S HA 0.604 5.074 4.470 -0.000 0.000 0.289 80 S C -0.654 173.942 174.600 -0.007 0.000 1.115 80 S CA -0.957 57.236 58.200 -0.010 0.000 0.889 80 S CB 1.661 64.856 63.200 -0.009 0.000 1.116 80 S HN 0.123 nan 8.310 nan 0.000 0.486 81 I N 1.598 122.160 120.570 -0.014 0.000 2.447 81 I HA 0.353 4.523 4.170 -0.000 0.000 0.287 81 I C -1.103 175.001 176.117 -0.021 0.000 1.023 81 I CA -0.418 60.879 61.300 -0.005 0.000 1.083 81 I CB 1.847 39.828 38.000 -0.031 0.000 1.245 81 I HN 0.648 nan 8.210 nan 0.000 0.434 82 D N 9.083 129.483 120.400 -0.000 0.000 2.456 82 D HA 0.239 4.879 4.640 -0.000 0.000 0.219 82 D C -1.692 174.567 176.300 -0.070 0.000 1.126 82 D CA -2.023 51.952 54.000 -0.040 0.000 0.890 82 D CB 1.663 42.444 40.800 -0.032 0.000 1.025 82 D HN 0.232 nan 8.370 nan 0.000 0.511 83 P HA 0.008 nan 4.420 nan 0.000 0.227 83 P C 0.638 177.790 177.300 -0.247 0.000 1.161 83 P CA 0.446 63.329 63.100 -0.362 0.000 0.788 83 P CB 0.861 31.959 31.700 -1.003 0.000 0.822 84 D N 0.286 120.630 120.400 -0.092 0.000 2.194 84 D HA 0.015 4.655 4.640 -0.000 0.000 0.204 84 D C 1.740 178.035 176.300 -0.008 0.000 0.964 84 D CA 0.978 55.028 54.000 0.083 0.000 0.846 84 D CB 0.018 40.879 40.800 0.103 0.000 0.962 84 D HN 0.153 nan 8.370 nan 0.000 0.490 85 A N 0.584 123.365 122.820 -0.066 0.000 2.275 85 A HA 0.013 4.333 4.320 -0.000 0.000 0.212 85 A C 0.277 177.742 177.584 -0.198 0.000 1.201 85 A CA -0.114 51.866 52.037 -0.096 0.000 0.843 85 A CB -0.010 18.949 19.000 -0.068 0.000 0.873 85 A HN 0.044 nan 8.150 nan 0.000 0.492 86 N N 0.721 119.233 118.700 -0.313 0.000 2.671 86 N HA -0.113 4.627 4.740 -0.000 0.000 0.261 86 N C -0.786 174.248 175.510 -0.793 0.000 1.053 86 N CA 1.652 54.212 53.050 -0.817 0.000 0.732 86 N CB -1.555 36.455 38.487 -0.795 0.000 0.887 86 N HN 0.479 nan 8.380 nan 0.000 0.546 87 T N -1.023 113.368 114.554 -0.272 0.000 2.923 87 T HA 0.580 4.930 4.350 -0.000 0.000 0.311 87 T C -0.073 174.743 174.700 0.193 0.000 1.183 87 T CA -0.574 61.530 62.100 0.006 0.000 1.020 87 T CB 2.724 71.573 68.868 -0.032 0.000 1.165 87 T HN -0.067 nan 8.240 nan 0.000 0.482 88 V N 2.178 122.195 119.914 0.171 0.000 2.628 88 V HA 0.692 4.812 4.120 -0.000 0.000 0.306 88 V C -0.138 175.982 176.094 0.043 0.000 1.045 88 V CA -0.680 61.673 62.300 0.089 0.000 0.905 88 V CB 2.104 33.959 31.823 0.053 0.000 0.997 88 V HN 1.055 nan 8.190 nan 0.000 0.436 89 T N 2.480 117.046 114.554 0.020 0.000 2.812 89 T HA 0.523 4.873 4.350 -0.000 0.000 0.282 89 T C 0.192 174.891 174.700 -0.002 0.000 0.990 89 T CA -0.519 61.586 62.100 0.008 0.000 0.960 89 T CB 1.531 70.401 68.868 0.004 0.000 0.948 89 T HN 0.921 nan 8.240 nan 0.000 0.438 90 T N 0.650 115.200 114.554 -0.007 0.000 2.810 90 T HA 0.266 4.616 4.350 -0.000 0.000 0.277 90 T C 1.449 176.140 174.700 -0.015 0.000 0.973 90 T CA -0.525 61.565 62.100 -0.017 0.000 0.949 90 T CB 0.830 69.682 68.868 -0.027 0.000 1.075 90 T HN 0.403 nan 8.240 nan 0.000 0.537 91 Q N 0.732 120.521 119.800 -0.019 0.000 2.061 91 Q HA -0.119 4.221 4.340 -0.000 0.000 0.204 91 Q C 2.333 178.326 176.000 -0.013 0.000 0.984 91 Q CA 2.466 58.260 55.803 -0.015 0.000 0.846 91 Q CB -0.831 27.897 28.738 -0.017 0.000 0.902 91 Q HN 0.885 nan 8.270 nan 0.000 0.421 92 S N -1.520 114.171 115.700 -0.015 0.000 2.603 92 S HA 0.127 4.597 4.470 -0.000 0.000 0.229 92 S C 1.226 175.821 174.600 -0.009 0.000 0.972 92 S CA 0.542 58.735 58.200 -0.012 0.000 0.935 92 S CB -0.307 62.885 63.200 -0.014 0.000 0.769 92 S HN 0.747 nan 8.310 nan 0.000 0.536 93 G N 1.231 110.026 108.800 -0.009 0.000 2.149 93 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.235 93 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.235 93 G C -0.210 174.688 174.900 -0.003 0.000 1.018 93 G CA 0.181 45.278 45.100 -0.005 0.000 0.728 93 G HN 0.739 nan 8.290 nan 0.000 0.508 94 K N 0.724 121.121 120.400 -0.004 0.000 2.262 94 K HA 0.393 4.713 4.320 -0.000 0.000 0.282 94 K C 0.272 176.876 176.600 0.007 0.000 1.066 94 K CA -0.625 55.662 56.287 -0.000 0.000 0.901 94 K CB 0.300 32.798 32.500 -0.005 0.000 1.089 94 K HN 0.169 nan 8.250 nan 0.000 0.476 95 K N 4.384 124.791 120.400 0.012 0.000 2.312 95 K HA 0.166 4.486 4.320 -0.000 0.000 0.287 95 K C -0.467 176.153 176.600 0.034 0.000 1.062 95 K CA -0.425 55.874 56.287 0.019 0.000 0.934 95 K CB 0.634 33.142 32.500 0.012 0.000 1.027 95 K HN 0.465 nan 8.250 nan 0.000 0.478 96 I N 3.331 123.930 120.570 0.049 0.000 2.406 96 I HA 0.108 4.278 4.170 -0.000 0.000 0.290 96 I C -0.518 175.651 176.117 0.086 0.000 0.999 96 I CA -0.274 61.075 61.300 0.081 0.000 1.124 96 I CB 1.269 39.325 38.000 0.092 0.000 1.289 96 I HN 0.546 nan 8.210 nan 0.000 0.441 97 E N 6.778 127.031 120.200 0.088 0.000 2.283 97 E HA 0.415 4.765 4.350 -0.000 0.000 0.271 97 E C -1.616 175.003 176.600 0.032 0.000 1.031 97 E CA -0.508 55.908 56.400 0.027 0.000 0.868 97 E CB 1.394 31.102 29.700 0.013 0.000 1.094 97 E HN 0.561 nan 8.360 nan 0.000 0.401 98 Y N -1.215 119.029 120.300 -0.093 0.000 2.504 98 Y HA 0.375 4.925 4.550 -0.000 0.000 0.344 98 Y C -0.249 175.592 175.900 -0.099 0.000 1.023 98 Y CA -0.969 57.025 58.100 -0.177 0.000 1.020 98 Y CB 1.341 39.690 38.460 -0.184 0.000 1.282 98 Y HN 0.303 nan 8.280 nan 0.000 0.454 99 D N 1.594 122.061 120.400 0.112 0.000 2.197 99 D HA 0.002 4.642 4.640 -0.000 0.000 0.212 99 D C -0.590 175.618 176.300 -0.154 0.000 0.963 99 D CA 1.639 55.613 54.000 -0.043 0.000 0.864 99 D CB 0.183 41.013 40.800 0.051 0.000 1.009 99 D HN 0.519 nan 8.370 nan 0.000 0.479 100 Y N -0.452 120.045 120.300 0.328 0.000 2.499 100 Y HA 0.480 5.030 4.550 -0.000 0.000 0.347 100 Y C -0.528 175.403 175.900 0.051 0.000 0.987 100 Y CA -1.181 57.090 58.100 0.284 0.000 1.044 100 Y CB 2.114 40.706 38.460 0.221 0.000 1.245 100 Y HN -0.256 nan 8.280 nan 0.000 0.461 101 L N 2.857 124.114 121.223 0.056 0.000 2.376 101 L HA 0.776 5.116 4.340 -0.000 0.000 0.275 101 L C -1.667 175.218 176.870 0.025 0.000 0.987 101 L CA -0.648 54.014 54.840 -0.297 0.000 0.828 101 L CB 1.592 43.102 42.059 -0.914 0.000 1.249 101 L HN 0.441 nan 8.230 nan 0.000 0.409 102 V N 6.596 126.518 119.914 0.013 0.000 2.384 102 V HA 0.473 4.593 4.120 -0.000 0.000 0.287 102 V C 0.072 176.179 176.094 0.022 0.000 1.020 102 V CA -0.399 61.950 62.300 0.082 0.000 0.850 102 V CB 1.500 33.358 31.823 0.058 0.000 0.987 102 V HN 0.598 nan 8.190 nan 0.000 0.436 103 I N 4.214 124.812 120.570 0.047 0.000 2.312 103 I HA 0.630 4.800 4.170 -0.000 0.000 0.290 103 I C 0.517 176.659 176.117 0.043 0.000 1.008 103 I CA -0.112 61.201 61.300 0.021 0.000 1.226 103 I CB 1.560 39.565 38.000 0.009 0.000 1.371 103 I HN 0.703 nan 8.210 nan 0.000 0.468 104 A N 3.449 126.284 122.820 0.025 0.000 3.234 104 A HA 0.241 4.561 4.320 -0.000 0.000 0.247 104 A C 0.792 178.380 177.584 0.006 0.000 0.938 104 A CA -0.343 51.709 52.037 0.025 0.000 1.039 104 A CB -0.352 18.667 19.000 0.031 0.000 1.197 104 A HN 0.719 nan 8.150 nan 0.000 0.498 105 T N -2.310 112.240 114.554 -0.007 0.000 3.252 105 T HA 0.425 4.775 4.350 -0.000 0.000 0.250 105 T C 1.296 175.962 174.700 -0.057 0.000 1.123 105 T CA 0.870 62.955 62.100 -0.025 0.000 1.006 105 T CB -0.547 68.305 68.868 -0.026 0.000 0.992 105 T HN 1.995 nan 8.240 nan 0.000 0.547 106 G N 2.536 111.295 108.800 -0.068 0.000 2.591 106 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.278 106 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.278 106 G C -2.759 172.024 174.900 -0.196 0.000 1.293 106 G CA -0.374 44.644 45.100 -0.137 0.000 0.930 106 G HN 0.581 nan 8.290 nan 0.000 0.562 107 P HA 0.487 nan 4.420 nan 0.000 0.292 107 P C -0.890 176.244 177.300 -0.276 0.000 1.283 107 P CA -0.610 62.208 63.100 -0.470 0.000 0.835 107 P CB 1.590 32.493 31.700 -1.329 0.000 1.017 108 K N 3.380 123.691 120.400 -0.148 0.000 2.248 108 K HA 0.339 4.659 4.320 -0.000 0.000 0.281 108 K C -0.512 176.052 176.600 -0.060 0.000 1.054 108 K CA -0.356 55.886 56.287 -0.075 0.000 0.903 108 K CB -0.305 32.177 32.500 -0.031 0.000 1.077 108 K HN 0.365 nan 8.250 nan 0.000 0.474 109 L N 4.523 125.694 121.223 -0.087 0.000 2.367 109 L HA 0.298 4.638 4.340 -0.000 0.000 0.275 109 L C -0.512 176.180 176.870 -0.295 0.000 1.129 109 L CA -1.009 53.709 54.840 -0.204 0.000 0.839 109 L CB 1.094 42.916 42.059 -0.394 0.000 1.133 109 L HN 0.333 nan 8.230 nan 0.000 0.453 110 V N 3.866 123.600 119.914 -0.300 0.000 2.334 110 V HA 0.225 4.345 4.120 -0.000 0.000 0.281 110 V C -0.162 175.725 176.094 -0.346 0.000 1.016 110 V CA -0.305 61.860 62.300 -0.224 0.000 0.832 110 V CB 0.948 32.715 31.823 -0.093 0.000 0.999 110 V HN 0.427 nan 8.190 nan 0.000 0.439 111 F N 3.428 123.364 119.950 -0.024 0.000 2.640 111 F HA 0.323 4.850 4.527 -0.000 0.000 0.354 111 F C 1.738 177.498 175.800 -0.067 0.000 1.213 111 F CA -0.332 57.635 58.000 -0.056 0.000 1.314 111 F CB 0.145 39.104 39.000 -0.069 0.000 1.679 111 F HN 0.605 nan 8.300 nan 0.000 0.622 112 G N 0.878 109.683 108.800 0.007 0.000 2.509 112 G HA2 0.085 4.045 3.960 -0.000 0.000 0.218 112 G HA3 0.085 4.045 3.960 -0.000 0.000 0.218 112 G C 0.805 175.687 174.900 -0.031 0.000 1.124 112 G CA 0.375 45.465 45.100 -0.018 0.000 0.776 112 G HN 0.566 nan 8.290 nan 0.000 0.547 113 A N 0.255 123.045 122.820 -0.049 0.000 2.331 113 A HA 0.513 4.833 4.320 -0.000 0.000 0.283 113 A C 0.260 177.806 177.584 -0.064 0.000 1.142 113 A CA -0.511 51.473 52.037 -0.087 0.000 0.812 113 A CB 0.457 19.351 19.000 -0.176 0.000 1.074 113 A HN 0.328 nan 8.150 nan 0.000 0.497 114 E N 1.410 121.572 120.200 -0.063 0.000 2.480 114 E HA 0.308 4.658 4.350 -0.000 0.000 0.258 114 E C 1.210 177.770 176.600 -0.067 0.000 0.984 114 E CA 1.067 57.435 56.400 -0.053 0.000 0.930 114 E CB 0.003 29.674 29.700 -0.049 0.000 0.936 114 E HN 1.435 nan 8.360 nan 0.000 0.466 115 G N 3.642 112.406 108.800 -0.061 0.000 2.159 115 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.256 115 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.256 115 G C 0.742 175.586 174.900 -0.094 0.000 0.977 115 G CA 0.614 45.669 45.100 -0.074 0.000 0.652 115 G HN 0.664 nan 8.290 nan 0.000 0.531 116 Q N -0.083 119.666 119.800 -0.085 0.000 2.083 116 Q HA 0.037 4.377 4.340 -0.000 0.000 0.198 116 Q C 2.184 178.088 176.000 -0.159 0.000 0.969 116 Q CA 1.582 57.333 55.803 -0.088 0.000 0.838 116 Q CB -0.133 28.593 28.738 -0.019 0.000 0.900 116 Q HN 0.678 nan 8.270 nan 0.000 0.436 117 E N -0.231 119.837 120.200 -0.220 0.000 2.110 117 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 117 E C 1.537 177.933 176.600 -0.340 0.000 0.988 117 E CA 1.472 57.571 56.400 -0.500 0.000 0.804 117 E CB 0.239 29.664 29.700 -0.458 0.000 0.745 117 E HN 0.369 nan 8.360 nan 0.000 0.458 118 E N 0.115 120.192 120.200 -0.205 0.000 2.033 118 E HA -0.048 4.302 4.350 -0.000 0.000 0.189 118 E C 1.530 178.045 176.600 -0.141 0.000 0.979 118 E CA 1.115 57.425 56.400 -0.150 0.000 0.802 118 E CB 0.086 29.724 29.700 -0.104 0.000 0.763 118 E HN 0.193 nan 8.360 nan 0.000 0.449 119 N N -0.483 118.138 118.700 -0.133 0.000 2.325 119 N HA 0.075 4.815 4.740 -0.000 0.000 0.182 119 N C 0.242 175.667 175.510 -0.143 0.000 1.088 119 N CA 0.185 53.166 53.050 -0.116 0.000 0.879 119 N CB 0.729 39.163 38.487 -0.089 0.000 0.983 119 N HN -0.062 nan 8.380 nan 0.000 0.471 120 S N -0.159 115.442 115.700 -0.165 0.000 2.747 120 S HA 0.570 5.040 4.470 -0.000 0.000 0.300 120 S C -0.157 174.294 174.600 -0.248 0.000 1.121 120 S CA -0.539 57.551 58.200 -0.183 0.000 0.995 120 S CB 1.131 64.292 63.200 -0.065 0.000 1.113 120 S HN 0.289 nan 8.310 nan 0.000 0.547 121 T N -0.224 114.151 114.554 -0.297 0.000 2.932 121 T HA 0.793 5.143 4.350 -0.000 0.000 0.289 121 T C -0.345 174.219 174.700 -0.227 0.000 1.039 121 T CA -0.625 61.310 62.100 -0.275 0.000 1.024 121 T CB 1.299 69.983 68.868 -0.308 0.000 1.090 121 T HN 0.758 nan 8.240 nan 0.000 0.496 122 S N 0.298 115.878 115.700 -0.199 0.000 2.667 122 S HA 0.649 5.119 4.470 -0.000 0.000 0.292 122 S C 0.303 174.857 174.600 -0.077 0.000 1.126 122 S CA -0.920 57.201 58.200 -0.131 0.000 0.881 122 S CB 1.119 64.311 63.200 -0.013 0.000 1.132 122 S HN 1.221 nan 8.310 nan 0.000 0.492 123 I N -2.508 118.038 120.570 -0.041 0.000 3.966 123 I HA 0.401 4.571 4.170 -0.000 0.000 0.324 123 I C 1.094 177.332 176.117 0.200 0.000 1.517 123 I CA -0.479 60.846 61.300 0.041 0.000 1.117 123 I CB -0.126 37.851 38.000 -0.039 0.000 1.190 123 I HN 0.581 nan 8.210 nan 0.000 0.466 124 C N 1.546 120.976 119.300 0.218 0.000 2.475 124 C HA 0.086 4.546 4.460 -0.000 0.000 0.279 124 C C 1.772 177.001 174.990 0.398 0.000 1.322 124 C CA 1.622 60.806 59.018 0.277 0.000 1.734 124 C CB -0.610 27.255 27.740 0.208 0.000 2.005 124 C HN 0.727 nan 8.230 nan 0.000 0.495 125 T N -2.262 112.487 114.554 0.324 0.000 2.945 125 T HA 0.610 4.960 4.350 -0.000 0.000 0.286 125 T C 0.857 175.458 174.700 -0.164 0.000 1.025 125 T CA 0.080 62.304 62.100 0.206 0.000 1.039 125 T CB 1.639 70.573 68.868 0.110 0.000 1.068 125 T HN 0.259 nan 8.240 nan 0.000 0.497 126 A N 0.667 123.181 122.820 -0.509 0.000 2.067 126 A HA 0.023 4.343 4.320 -0.000 0.000 0.219 126 A C 2.011 179.347 177.584 -0.414 0.000 1.158 126 A CA 1.316 52.906 52.037 -0.746 0.000 0.661 126 A CB -0.895 17.740 19.000 -0.610 0.000 0.801 126 A HN 0.906 nan 8.150 nan 0.000 0.452 127 E N -0.681 119.336 120.200 -0.305 0.000 2.046 127 E HA -0.109 4.241 4.350 -0.000 0.000 0.190 127 E C 1.927 178.384 176.600 -0.238 0.000 0.982 127 E CA 1.245 57.462 56.400 -0.305 0.000 0.800 127 E CB -0.316 29.184 29.700 -0.334 0.000 0.756 127 E HN 0.671 nan 8.360 nan 0.000 0.449 128 H N -0.180 118.833 119.070 -0.095 0.000 2.423 128 H HA 0.097 4.653 4.556 -0.000 0.000 0.297 128 H C 1.927 177.209 175.328 -0.077 0.000 1.075 128 H CA 1.248 57.256 56.048 -0.066 0.000 1.342 128 H CB -0.337 29.422 29.762 -0.004 0.000 1.395 128 H HN 0.208 nan 8.280 nan 0.000 0.530 129 A N 1.118 123.939 122.820 0.002 0.000 1.858 129 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 129 A C 2.680 180.253 177.584 -0.018 0.000 1.190 129 A CA 1.263 53.286 52.037 -0.023 0.000 0.617 129 A CB -0.977 17.952 19.000 -0.119 0.000 0.827 129 A HN 0.287 nan 8.150 nan 0.000 0.443 130 L N -0.828 120.347 121.223 -0.080 0.000 2.079 130 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 130 L C 2.586 179.440 176.870 -0.026 0.000 1.081 130 L CA 1.755 56.559 54.840 -0.061 0.000 0.752 130 L CB -0.517 41.466 42.059 -0.126 0.000 0.896 130 L HN 0.468 nan 8.230 nan 0.000 0.433 131 E N -0.558 119.627 120.200 -0.025 0.000 2.038 131 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 131 E C 2.099 178.720 176.600 0.035 0.000 1.000 131 E CA 2.002 58.403 56.400 0.001 0.000 0.803 131 E CB -0.118 29.592 29.700 0.017 0.000 0.750 131 E HN 0.418 nan 8.360 nan 0.000 0.448 132 T N 0.804 115.392 114.554 0.057 0.000 2.699 132 T HA -0.283 4.067 4.350 -0.000 0.000 0.268 132 T C 1.811 176.605 174.700 0.156 0.000 1.036 132 T CA 1.653 63.831 62.100 0.129 0.000 1.147 132 T CB -0.338 68.609 68.868 0.131 0.000 0.862 132 T HN 0.131 nan 8.240 nan 0.000 0.446 133 Q N 1.699 121.554 119.800 0.091 0.000 2.096 133 Q HA -0.170 4.170 4.340 -0.000 0.000 0.208 133 Q C 2.032 178.050 176.000 0.029 0.000 0.993 133 Q CA 1.846 57.682 55.803 0.055 0.000 0.862 133 Q CB -0.334 28.428 28.738 0.041 0.000 0.915 133 Q HN 0.484 nan 8.270 nan 0.000 0.416 134 K N -0.281 120.137 120.400 0.031 0.000 2.063 134 K HA -0.130 4.190 4.320 -0.000 0.000 0.208 134 K C 2.104 178.714 176.600 0.017 0.000 1.048 134 K CA 1.400 57.697 56.287 0.017 0.000 0.928 134 K CB -0.094 32.414 32.500 0.012 0.000 0.713 134 K HN 0.122 nan 8.250 nan 0.000 0.442 135 K N 0.963 121.408 120.400 0.075 0.000 2.155 135 K HA -0.039 4.281 4.320 -0.000 0.000 0.203 135 K C 2.158 178.799 176.600 0.067 0.000 1.052 135 K CA 0.828 57.205 56.287 0.150 0.000 0.948 135 K CB -0.160 32.506 32.500 0.277 0.000 0.728 135 K HN 0.173 nan 8.250 nan 0.000 0.448 136 L N 1.163 122.329 121.223 -0.095 0.000 2.141 136 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 136 L C 2.544 178.885 176.870 -0.882 0.000 1.094 136 L CA 0.957 55.413 54.840 -0.641 0.000 0.763 136 L CB -0.308 41.419 42.059 -0.554 0.000 0.908 136 L HN 0.123 nan 8.230 nan 0.000 0.437 137 Q N -0.096 119.478 119.800 -0.377 0.000 2.084 137 Q HA -0.272 4.068 4.340 -0.000 0.000 0.202 137 Q C 2.021 177.938 176.000 -0.138 0.000 0.978 137 Q CA 1.694 57.391 55.803 -0.176 0.000 0.844 137 Q CB -0.268 28.459 28.738 -0.018 0.000 0.898 137 Q HN 0.561 nan 8.270 nan 0.000 0.426 138 E N 0.279 120.412 120.200 -0.111 0.000 2.058 138 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 138 E C 2.058 178.609 176.600 -0.082 0.000 0.997 138 E CA 0.920 57.287 56.400 -0.054 0.000 0.801 138 E CB -0.110 29.584 29.700 -0.010 0.000 0.746 138 E HN 0.192 nan 8.360 nan 0.000 0.450 139 L N 0.440 121.551 121.223 -0.186 0.000 1.989 139 L HA -0.233 4.107 4.340 -0.000 0.000 0.211 139 L C 2.143 178.949 176.870 -0.107 0.000 1.071 139 L CA 1.861 56.581 54.840 -0.201 0.000 0.749 139 L CB -0.839 40.968 42.059 -0.419 0.000 0.890 139 L HN 0.225 nan 8.230 nan 0.000 0.431 140 Y N 0.237 120.488 120.300 -0.080 0.000 2.207 140 Y HA -0.183 4.367 4.550 -0.000 0.000 0.287 140 Y C 2.624 178.499 175.900 -0.040 0.000 1.156 140 Y CA 0.774 58.835 58.100 -0.066 0.000 1.182 140 Y CB -1.798 36.627 38.460 -0.058 0.000 0.979 140 Y HN 0.348 nan 8.280 nan 0.000 0.521 141 A N 0.762 123.644 122.820 0.103 0.000 1.865 141 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 141 A C 0.877 178.482 177.584 0.035 0.000 1.191 141 A CA 1.799 53.872 52.037 0.060 0.000 0.623 141 A CB -0.767 18.254 19.000 0.035 0.000 0.826 141 A HN 0.511 nan 8.150 nan 0.000 0.444 142 N N -0.831 117.880 118.700 0.019 0.000 2.577 142 N HA 0.416 5.156 4.740 -0.000 0.000 0.275 142 N C -3.649 171.861 175.510 -0.000 0.000 1.091 142 N CA -1.962 51.093 53.050 0.007 0.000 0.843 142 N CB 0.816 39.306 38.487 0.005 0.000 1.295 142 N HN -0.069 nan 8.380 nan 0.000 0.530 143 P HA 0.377 nan 4.420 nan 0.000 0.269 143 P C 0.293 177.585 177.300 -0.013 0.000 1.215 143 P CA 0.208 63.298 63.100 -0.016 0.000 0.780 143 P CB 0.808 32.480 31.700 -0.046 0.000 0.898 144 G N 0.860 109.662 108.800 0.003 0.000 2.608 144 G HA2 0.514 4.474 3.960 -0.000 0.000 0.291 144 G HA3 0.514 4.474 3.960 -0.000 0.000 0.291 144 G C -3.304 171.621 174.900 0.040 0.000 1.425 144 G CA -1.300 43.811 45.100 0.019 0.000 0.787 144 G HN 0.149 nan 8.290 nan 0.000 0.484 145 P HA 0.278 nan 4.420 nan 0.000 0.264 145 P C -0.416 176.952 177.300 0.112 0.000 1.183 145 P CA -0.094 63.048 63.100 0.070 0.000 0.763 145 P CB 1.078 32.819 31.700 0.068 0.000 0.807 146 V N 5.262 125.249 119.914 0.121 0.000 2.384 146 V HA 0.368 4.488 4.120 -0.000 0.000 0.287 146 V C -0.048 176.141 176.094 0.158 0.000 1.020 146 V CA -0.534 61.877 62.300 0.184 0.000 0.850 146 V CB 1.955 33.872 31.823 0.156 0.000 0.987 146 V HN 0.321 nan 8.190 nan 0.000 0.436 147 V N 7.647 127.662 119.914 0.168 0.000 2.540 147 V HA 0.707 4.827 4.120 -0.000 0.000 0.302 147 V C -0.771 175.284 176.094 -0.065 0.000 1.035 147 V CA -0.272 62.090 62.300 0.103 0.000 0.873 147 V CB 1.708 33.634 31.823 0.172 0.000 0.992 147 V HN 0.760 nan 8.190 nan 0.000 0.428 148 I N 5.803 126.210 120.570 -0.271 0.000 2.828 148 I HA 0.976 5.146 4.170 -0.000 0.000 0.302 148 I C 0.499 175.915 176.117 -1.167 0.000 1.101 148 I CA -0.058 60.871 61.300 -0.619 0.000 1.031 148 I CB 2.308 40.281 38.000 -0.044 0.000 1.231 148 I HN 0.958 nan 8.210 nan 0.000 0.427 149 G N 2.878 110.745 108.800 -1.555 0.000 2.399 149 G HA2 0.625 4.585 3.960 -0.000 0.000 0.256 149 G HA3 0.625 4.585 3.960 -0.000 0.000 0.256 149 G C -2.201 172.386 174.900 -0.523 0.000 1.236 149 G CA 0.057 44.406 45.100 -1.253 0.000 0.914 149 G HN 0.854 nan 8.290 nan 0.000 0.482 150 A N -0.108 122.651 122.820 -0.102 0.000 2.374 150 A HA 0.770 5.090 4.320 -0.000 0.000 0.305 150 A C 0.194 177.862 177.584 0.139 0.000 1.053 150 A CA -0.316 51.757 52.037 0.060 0.000 0.726 150 A CB 0.682 19.689 19.000 0.012 0.000 1.229 150 A HN 1.796 nan 8.150 nan 0.000 0.431 151 I N -0.207 120.398 120.570 0.058 0.000 3.322 151 I HA 0.510 4.680 4.170 -0.000 0.000 0.296 151 I C -2.449 173.654 176.117 -0.024 0.000 1.101 151 I CA -2.268 59.015 61.300 -0.029 0.000 1.166 151 I CB 0.247 38.189 38.000 -0.097 0.000 1.475 151 I HN 0.252 nan 8.210 nan 0.000 0.665 152 P HA 0.136 nan 4.420 nan 0.000 0.267 152 P C 0.537 177.806 177.300 -0.052 0.000 1.200 152 P CA 1.013 64.103 63.100 -0.016 0.000 0.772 152 P CB 0.691 32.380 31.700 -0.018 0.000 0.855 153 G N 0.457 109.234 108.800 -0.037 0.000 2.199 153 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.254 153 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.254 153 G C 0.160 174.960 174.900 -0.167 0.000 0.982 153 G CA -0.087 44.968 45.100 -0.075 0.000 0.632 153 G HN 0.549 nan 8.290 nan 0.000 0.529 154 V N 2.068 121.839 119.914 -0.237 0.000 2.740 154 V HA 0.517 4.637 4.120 -0.000 0.000 0.303 154 V C 1.040 176.785 176.094 -0.581 0.000 1.054 154 V CA 0.798 62.760 62.300 -0.563 0.000 1.106 154 V CB 1.367 32.741 31.823 -0.749 0.000 0.957 154 V HN 1.089 nan 8.190 nan 0.000 0.486 158 G N 2.681 111.728 108.800 0.412 0.000 2.703 158 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.222 158 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.222 158 G C -0.850 174.240 174.900 0.317 0.000 1.183 158 G CA 1.992 47.235 45.100 0.238 0.000 0.775 158 G HN 0.257 nan 8.290 nan 0.000 0.615 159 P HA 0.010 nan 4.420 nan 0.000 0.221 159 P C 1.923 179.392 177.300 0.281 0.000 1.145 159 P CA 1.760 64.986 63.100 0.211 0.000 0.795 159 P CB -0.121 31.657 31.700 0.131 0.000 0.775 160 A N -1.871 121.131 122.820 0.303 0.000 1.930 160 A HA -0.148 4.172 4.320 -0.000 0.000 0.215 160 A C 1.909 179.790 177.584 0.496 0.000 1.176 160 A CA 1.028 53.264 52.037 0.331 0.000 0.632 160 A CB -1.640 17.481 19.000 0.202 0.000 0.819 160 A HN 0.096 nan 8.150 nan 0.000 0.445 161 Y N 0.324 120.909 120.300 0.475 0.000 2.181 161 Y HA -0.173 4.377 4.550 -0.000 0.000 0.288 161 Y C 2.525 178.617 175.900 0.320 0.000 1.146 161 Y CA 1.743 60.014 58.100 0.285 0.000 1.164 161 Y CB -0.258 38.352 38.460 0.249 0.000 0.982 161 Y HN 0.385 nan 8.280 nan 0.000 0.515 162 E N -0.616 119.889 120.200 0.508 0.000 2.038 162 E HA -0.250 4.100 4.350 -0.000 0.000 0.195 162 E C 2.046 178.856 176.600 0.351 0.000 1.000 162 E CA 1.458 58.118 56.400 0.433 0.000 0.803 162 E CB -0.449 29.439 29.700 0.313 0.000 0.750 162 E HN 0.440 nan 8.360 nan 0.000 0.448 163 F N 1.220 121.283 119.950 0.189 0.000 2.095 163 F HA -0.240 4.287 4.527 -0.000 0.000 0.298 163 F C 2.249 178.135 175.800 0.142 0.000 1.104 163 F CA 1.558 59.633 58.000 0.125 0.000 1.232 163 F CB -0.273 38.793 39.000 0.110 0.000 0.987 163 F HN -0.020 nan 8.300 nan 0.000 0.475 164 A N 0.562 123.562 122.820 0.301 0.000 1.873 164 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 164 A C 2.223 179.827 177.584 0.034 0.000 1.193 164 A CA 2.195 54.321 52.037 0.149 0.000 0.629 164 A CB -1.276 17.815 19.000 0.152 0.000 0.826 164 A HN 0.498 nan 8.150 nan 0.000 0.447 165 L N -1.459 119.812 121.223 0.080 0.000 2.109 165 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 165 L C 2.887 179.881 176.870 0.207 0.000 1.086 165 L CA 1.173 56.059 54.840 0.077 0.000 0.760 165 L CB -0.393 41.644 42.059 -0.037 0.000 0.910 165 L HN 0.409 nan 8.230 nan 0.000 0.437 166 M N -0.735 118.981 119.600 0.192 0.000 2.080 166 M HA -0.244 4.236 4.480 -0.000 0.000 0.260 166 M C 2.327 178.707 176.300 0.133 0.000 1.068 166 M CA 1.705 57.140 55.300 0.226 0.000 1.109 166 M CB -0.375 32.257 32.600 0.053 0.000 1.342 166 M HN 0.238 nan 8.290 nan 0.000 0.405 167 L N -0.311 120.828 121.223 -0.141 0.000 2.083 167 L HA -0.209 4.131 4.340 -0.000 0.000 0.209 167 L C 2.329 179.199 176.870 0.000 0.000 1.083 167 L CA 2.158 56.885 54.840 -0.187 0.000 0.752 167 L CB -0.971 40.854 42.059 -0.391 0.000 0.899 167 L HN 0.316 nan 8.230 nan 0.000 0.433 168 H N -1.510 117.551 119.070 -0.015 0.000 2.265 168 H HA -0.330 4.226 4.556 -0.000 0.000 0.295 168 H C 2.136 177.518 175.328 0.090 0.000 1.084 168 H CA 2.588 58.648 56.048 0.020 0.000 1.261 168 H CB -0.729 29.032 29.762 -0.002 0.000 1.360 168 H HN 0.503 nan 8.280 nan 0.000 0.487 169 Y N 0.918 121.235 120.300 0.028 0.000 2.193 169 Y HA -0.258 4.292 4.550 -0.000 0.000 0.285 169 Y C 2.479 178.367 175.900 -0.021 0.000 1.166 169 Y CA 2.195 60.299 58.100 0.008 0.000 1.181 169 Y CB -0.309 38.239 38.460 0.146 0.000 0.976 169 Y HN 0.470 nan 8.280 nan 0.000 0.520 170 E N -0.086 120.125 120.200 0.019 0.000 2.046 170 E HA -0.134 4.216 4.350 -0.000 0.000 0.190 170 E C 1.902 178.362 176.600 -0.234 0.000 0.982 170 E CA 1.258 57.609 56.400 -0.082 0.000 0.800 170 E CB -0.583 29.174 29.700 0.094 0.000 0.756 170 E HN 0.384 nan 8.360 nan 0.000 0.449 171 L N 1.172 122.287 121.223 -0.180 0.000 2.079 171 L HA -0.088 4.252 4.340 -0.000 0.000 0.210 171 L C 2.271 179.023 176.870 -0.197 0.000 1.081 171 L CA 1.739 56.477 54.840 -0.170 0.000 0.752 171 L CB -0.764 41.236 42.059 -0.098 0.000 0.896 171 L HN 0.159 nan 8.230 nan 0.000 0.433 172 K N -1.083 119.152 120.400 -0.276 0.000 2.062 172 K HA -0.126 4.194 4.320 -0.000 0.000 0.205 172 K C 1.968 178.426 176.600 -0.237 0.000 1.051 172 K CA 0.667 56.797 56.287 -0.261 0.000 0.941 172 K CB 0.168 32.453 32.500 -0.359 0.000 0.719 172 K HN -0.030 nan 8.250 nan 0.000 0.440 173 K N 1.050 121.251 120.400 -0.333 0.000 2.365 173 K HA -0.086 4.234 4.320 -0.000 0.000 0.199 173 K C 1.179 177.645 176.600 -0.224 0.000 1.045 173 K CA 0.934 57.026 56.287 -0.325 0.000 0.962 173 K CB 0.076 32.274 32.500 -0.503 0.000 0.759 173 K HN 0.319 nan 8.250 nan 0.000 0.469 174 R N -0.875 119.496 120.500 -0.215 0.000 2.609 174 R HA 0.252 4.592 4.340 -0.000 0.000 0.326 174 R C 0.732 176.975 176.300 -0.095 0.000 1.090 174 R CA 0.404 56.406 56.100 -0.163 0.000 1.072 174 R CB -0.367 29.800 30.300 -0.222 0.000 1.330 174 R HN -0.029 nan 8.270 nan 0.000 0.572 175 G N 1.470 110.225 108.800 -0.075 0.000 2.337 175 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.290 175 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.290 175 G C 0.425 175.400 174.900 0.125 0.000 1.003 175 G CA 0.920 46.022 45.100 0.002 0.000 0.825 175 G HN 0.603 nan 8.290 nan 0.000 0.509 176 I N -1.520 119.085 120.570 0.060 0.000 4.082 176 I HA 0.250 4.420 4.170 -0.000 0.000 0.337 176 I C 2.320 178.447 176.117 0.017 0.000 1.352 176 I CA 0.088 61.416 61.300 0.047 0.000 1.097 176 I CB 0.107 38.097 38.000 -0.018 0.000 1.048 176 I HN 0.155 nan 8.210 nan 0.000 0.393 177 R N 1.377 121.911 120.500 0.056 0.000 2.091 177 R HA -0.267 4.073 4.340 -0.000 0.000 0.238 177 R C 2.104 178.455 176.300 0.085 0.000 1.136 177 R CA 2.695 58.812 56.100 0.029 0.000 0.959 177 R CB -1.134 29.143 30.300 -0.039 0.000 0.856 177 R HN 0.611 nan 8.270 nan 0.000 0.437 178 Y N -0.774 119.516 120.300 -0.017 0.000 2.569 178 Y HA 0.035 4.585 4.550 -0.000 0.000 0.293 178 Y C 0.907 176.812 175.900 0.008 0.000 1.144 178 Y CA 0.866 58.968 58.100 0.002 0.000 1.321 178 Y CB -0.117 38.343 38.460 -0.000 0.000 0.982 178 Y HN -0.035 nan 8.280 nan 0.000 0.558 179 K N 0.779 120.880 120.400 -0.498 0.000 2.387 179 K HA 0.273 4.593 4.320 -0.000 0.000 0.198 179 K C -0.731 175.769 176.600 -0.166 0.000 1.022 179 K CA 0.001 56.034 56.287 -0.423 0.000 1.128 179 K CB 0.982 33.188 32.500 -0.491 0.000 0.853 179 K HN 0.105 nan 8.250 nan 0.000 0.523 180 V N 3.134 122.997 119.914 -0.085 0.000 2.398 180 V HA 0.216 4.336 4.120 -0.000 0.000 0.282 180 V C -2.563 173.540 176.094 0.015 0.000 1.014 180 V CA -2.156 60.130 62.300 -0.023 0.000 0.838 180 V CB 1.251 33.067 31.823 -0.011 0.000 1.018 180 V HN -0.002 nan 8.190 nan 0.000 0.432 181 P HA 0.356 nan 4.420 nan 0.000 0.272 181 P C -0.560 176.773 177.300 0.055 0.000 1.223 181 P CA -0.032 63.093 63.100 0.041 0.000 0.784 181 P CB 0.518 32.243 31.700 0.041 0.000 0.923 182 M N 1.523 121.156 119.600 0.056 0.000 2.204 182 M HA 0.330 4.810 4.480 -0.000 0.000 0.293 182 M C -0.856 175.482 176.300 0.063 0.000 0.994 182 M CA -0.175 55.159 55.300 0.058 0.000 0.925 182 M CB 2.238 34.859 32.600 0.035 0.000 1.577 182 M HN 0.180 nan 8.290 nan 0.000 0.439 183 T N 2.348 116.958 114.554 0.092 0.000 2.848 183 T HA 0.547 4.897 4.350 -0.000 0.000 0.285 183 T C -1.326 173.469 174.700 0.160 0.000 0.995 183 T CA -0.447 61.726 62.100 0.122 0.000 0.970 183 T CB 1.521 70.451 68.868 0.103 0.000 0.976 183 T HN 0.409 nan 8.240 nan 0.000 0.441 184 F N 4.370 124.363 119.950 0.072 0.000 2.388 184 F HA 0.670 5.197 4.527 -0.000 0.000 0.358 184 F C -0.500 175.371 175.800 0.119 0.000 1.122 184 F CA -1.452 56.596 58.000 0.079 0.000 1.056 184 F CB 0.471 39.598 39.000 0.211 0.000 1.155 184 F HN 0.541 nan 8.300 nan 0.000 0.461 185 I N 4.624 125.059 120.570 -0.224 0.000 2.474 185 I HA 0.732 4.902 4.170 -0.000 0.000 0.294 185 I C -0.936 175.085 176.117 -0.160 0.000 1.005 185 I CA 0.117 61.355 61.300 -0.104 0.000 1.113 185 I CB 2.056 39.980 38.000 -0.127 0.000 1.289 185 I HN 0.513 nan 8.210 nan 0.000 0.436 186 T N 2.825 117.359 114.554 -0.033 0.000 2.900 186 T HA 0.389 4.739 4.350 -0.000 0.000 0.303 186 T C 0.705 175.439 174.700 0.058 0.000 1.142 186 T CA 0.042 62.159 62.100 0.028 0.000 1.007 186 T CB 1.386 70.325 68.868 0.117 0.000 1.156 186 T HN 0.837 nan 8.240 nan 0.000 0.490 187 S N 1.850 117.626 115.700 0.127 0.000 2.527 187 S HA 0.152 4.622 4.470 -0.000 0.000 0.222 187 S C 0.437 175.004 174.600 -0.056 0.000 0.985 187 S CA -0.073 58.172 58.200 0.075 0.000 0.921 187 S CB -0.429 62.855 63.200 0.139 0.000 0.772 187 S HN 0.785 nan 8.310 nan 0.000 0.529 188 E N 2.995 123.081 120.200 -0.189 0.000 2.413 188 E HA 0.087 4.437 4.350 -0.000 0.000 0.263 188 E C -1.591 174.769 176.600 -0.401 0.000 1.015 188 E CA -1.769 54.323 56.400 -0.512 0.000 0.916 188 E CB 0.378 29.688 29.700 -0.649 0.000 0.947 188 E HN 0.195 nan 8.360 nan 0.000 0.440 189 P HA -0.158 nan 4.420 nan 0.000 0.218 189 P C -0.480 176.781 177.300 -0.065 0.000 1.148 189 P CA 1.591 64.534 63.100 -0.262 0.000 0.822 189 P CB -0.076 31.472 31.700 -0.254 0.000 0.784 190 Y N -4.099 116.098 120.300 -0.172 0.000 2.615 190 Y HA 0.611 5.160 4.550 -0.000 0.000 0.341 190 Y C -0.466 175.285 175.900 -0.249 0.000 1.089 190 Y CA -2.391 55.615 58.100 -0.156 0.000 1.049 190 Y CB -0.143 38.233 38.460 -0.140 0.000 1.296 190 Y HN -0.401 nan 8.280 nan 0.000 0.470 191 L N 2.687 123.790 121.223 -0.200 0.000 2.490 191 L HA 0.396 4.736 4.340 -0.000 0.000 0.274 191 L C 1.296 177.878 176.870 -0.481 0.000 1.201 191 L CA 1.679 56.291 54.840 -0.379 0.000 0.869 191 L CB 0.152 41.775 42.059 -0.726 0.000 1.123 191 L HN 1.117 nan 8.230 nan 0.000 0.484 192 G N 1.765 110.057 108.800 -0.845 0.000 2.198 192 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.260 192 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.260 192 G C 1.239 175.253 174.900 -1.477 0.000 1.025 192 G CA 0.671 44.758 45.100 -1.689 0.000 0.769 192 G HN 0.905 nan 8.290 nan 0.000 0.507 193 H N -0.284 118.068 119.070 -1.195 0.000 2.363 193 H HA -0.032 4.524 4.556 -0.000 0.000 0.301 193 H C 2.071 176.995 175.328 -0.673 0.000 1.074 193 H CA 1.960 57.392 56.048 -1.028 0.000 1.354 193 H CB -0.125 28.878 29.762 -1.265 0.000 1.397 193 H HN 0.819 nan 8.280 nan 0.000 0.516 194 F N -1.131 118.564 119.950 -0.425 0.000 2.871 194 F HA -0.239 4.288 4.527 -0.000 0.000 0.326 194 F C 1.725 177.472 175.800 -0.088 0.000 0.675 194 F CA 1.683 59.523 58.000 -0.267 0.000 1.188 194 F CB -1.865 36.958 39.000 -0.296 0.000 1.567 194 F HN 0.479 nan 8.300 nan 0.000 0.325 195 G N -0.962 107.857 108.800 0.031 0.000 2.179 195 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.260 195 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.260 195 G C 0.616 175.505 174.900 -0.017 0.000 0.977 195 G CA 0.575 45.796 45.100 0.201 0.000 0.641 195 G HN 1.661 nan 8.290 nan 0.000 0.533 196 V N -2.831 116.916 119.914 -0.278 0.000 3.380 196 V HA 0.673 4.793 4.120 -0.000 0.000 0.307 196 V C 1.626 177.500 176.094 -0.367 0.000 1.434 196 V CA 0.938 63.105 62.300 -0.221 0.000 1.075 196 V CB 0.052 31.815 31.823 -0.100 0.000 0.954 196 V HN 2.166 nan 8.190 nan 0.000 0.444 197 G N -0.178 108.081 108.800 -0.901 0.000 2.182 197 G HA2 0.241 4.201 3.960 -0.000 0.000 0.248 197 G HA3 0.241 4.201 3.960 -0.000 0.000 0.248 197 G C 1.040 175.772 174.900 -0.279 0.000 1.042 197 G CA 0.218 44.964 45.100 -0.589 0.000 0.775 197 G HN 2.451 nan 8.290 nan 0.000 0.501 198 G N -1.434 107.124 108.800 -0.403 0.000 2.787 198 G HA2 0.115 4.075 3.960 -0.000 0.000 0.685 198 G HA3 0.115 4.075 3.960 -0.000 0.000 0.685 198 G C -0.376 174.481 174.900 -0.072 0.000 1.437 198 G CA -0.183 44.816 45.100 -0.168 0.000 0.872 198 G HN 1.376 nan 8.290 nan 0.000 0.566 199 I N 2.431 123.000 120.570 -0.003 0.000 2.468 199 I HA 0.536 4.706 4.170 -0.000 0.000 0.284 199 I C 1.234 177.420 176.117 0.114 0.000 1.038 199 I CA 0.254 61.588 61.300 0.057 0.000 1.083 199 I CB 1.042 39.095 38.000 0.088 0.000 1.223 199 I HN 1.910 nan 8.210 nan 0.000 0.443 200 G N 4.932 113.776 108.800 0.073 0.000 2.652 200 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.318 200 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.318 200 G C 0.640 175.571 174.900 0.052 0.000 1.295 200 G CA 0.474 45.616 45.100 0.072 0.000 0.999 200 G HN 0.958 nan 8.290 nan 0.000 0.548 201 A N 0.191 123.048 122.820 0.062 0.000 2.734 201 A HA 0.599 4.919 4.320 -0.000 0.000 0.279 201 A C 2.107 179.713 177.584 0.036 0.000 1.386 201 A CA 1.431 53.481 52.037 0.022 0.000 0.987 201 A CB -0.627 18.382 19.000 0.015 0.000 1.041 201 A HN 2.017 nan 8.150 nan 0.000 0.569 202 S N 0.542 116.289 115.700 0.077 0.000 2.400 202 S HA -0.269 4.201 4.470 -0.000 0.000 0.232 202 S C 1.874 176.415 174.600 -0.100 0.000 1.025 202 S CA 1.580 59.838 58.200 0.097 0.000 0.993 202 S CB -0.315 62.940 63.200 0.092 0.000 0.808 202 S HN 0.703 nan 8.310 nan 0.000 0.478 203 K N 1.547 121.869 120.400 -0.130 0.000 2.057 203 K HA -0.081 4.239 4.320 -0.000 0.000 0.206 203 K C 2.541 179.025 176.600 -0.193 0.000 1.050 203 K CA 1.157 57.337 56.287 -0.178 0.000 0.935 203 K CB -0.280 32.115 32.500 -0.175 0.000 0.715 203 K HN 0.448 nan 8.250 nan 0.000 0.439 204 R N 0.233 120.657 120.500 -0.128 0.000 2.092 204 R HA -0.082 4.258 4.340 -0.000 0.000 0.231 204 R C 2.264 178.519 176.300 -0.075 0.000 1.119 204 R CA 0.963 57.008 56.100 -0.092 0.000 0.970 204 R CB -0.126 30.142 30.300 -0.054 0.000 0.864 204 R HN 0.146 nan 8.270 nan 0.000 0.440 205 L N -0.159 121.037 121.223 -0.045 0.000 2.093 205 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 205 L C 2.136 178.962 176.870 -0.074 0.000 1.085 205 L CA 1.135 55.970 54.840 -0.009 0.000 0.755 205 L CB -0.166 41.940 42.059 0.078 0.000 0.904 205 L HN 0.020 nan 8.230 nan 0.000 0.435 206 V N -1.348 118.452 119.914 -0.191 0.000 2.488 206 V HA -0.172 3.948 4.120 -0.000 0.000 0.246 206 V C 2.287 178.062 176.094 -0.532 0.000 1.046 206 V CA 1.090 63.149 62.300 -0.402 0.000 1.053 206 V CB -0.429 31.032 31.823 -0.604 0.000 0.679 206 V HN 0.421 nan 8.190 nan 0.000 0.458 207 E N 0.139 120.073 120.200 -0.443 0.000 2.153 207 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 207 E C 1.828 178.392 176.600 -0.059 0.000 0.988 207 E CA 1.464 57.659 56.400 -0.341 0.000 0.811 207 E CB -0.061 29.497 29.700 -0.237 0.000 0.746 207 E HN 0.587 nan 8.360 nan 0.000 0.466 208 D N 0.127 120.496 120.400 -0.052 0.000 2.137 208 D HA -0.094 4.546 4.640 -0.000 0.000 0.202 208 D C 1.876 178.200 176.300 0.040 0.000 0.970 208 D CA 0.354 54.367 54.000 0.021 0.000 0.837 208 D CB -0.139 40.670 40.800 0.015 0.000 0.981 208 D HN 0.041 nan 8.370 nan 0.000 0.475 209 L N 0.351 121.575 121.223 0.001 0.000 1.990 209 L HA -0.177 4.163 4.340 -0.000 0.000 0.213 209 L C 2.107 179.061 176.870 0.139 0.000 1.072 209 L CA 1.497 56.349 54.840 0.021 0.000 0.755 209 L CB -0.761 41.262 42.059 -0.061 0.000 0.889 209 L HN -0.056 nan 8.230 nan 0.000 0.432 210 F N -0.402 119.479 119.950 -0.117 0.000 2.134 210 F HA -0.162 4.365 4.527 -0.000 0.000 0.299 210 F C 2.499 178.321 175.800 0.036 0.000 1.097 210 F CA 0.909 58.876 58.000 -0.055 0.000 1.264 210 F CB -1.509 37.485 39.000 -0.010 0.000 1.001 210 F HN 0.179 nan 8.300 nan 0.000 0.479 211 A N -0.417 122.569 122.820 0.278 0.000 1.898 211 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 211 A C 2.146 179.795 177.584 0.109 0.000 1.181 211 A CA 1.586 53.745 52.037 0.203 0.000 0.620 211 A CB -0.781 18.336 19.000 0.196 0.000 0.819 211 A HN 0.380 nan 8.150 nan 0.000 0.442 212 E N -0.813 119.435 120.200 0.080 0.000 2.204 212 E HA -0.109 4.241 4.350 -0.000 0.000 0.195 212 E C 1.559 178.166 176.600 0.012 0.000 0.990 212 E CA 0.860 57.288 56.400 0.047 0.000 0.821 212 E CB -0.008 29.717 29.700 0.040 0.000 0.750 212 E HN 0.489 nan 8.360 nan 0.000 0.477 213 R N 0.136 120.598 120.500 -0.064 0.000 2.507 213 R HA 0.116 4.456 4.340 -0.000 0.000 0.298 213 R C -0.030 176.172 176.300 -0.162 0.000 0.999 213 R CA -0.034 55.914 56.100 -0.255 0.000 1.082 213 R CB 0.135 30.029 30.300 -0.678 0.000 1.246 213 R HN 0.040 nan 8.270 nan 0.000 0.553 214 N N 1.083 119.773 118.700 -0.018 0.000 2.716 214 N HA -0.206 4.534 4.740 -0.000 0.000 0.250 214 N C -1.135 174.372 175.510 -0.004 0.000 1.033 214 N CA 0.478 53.545 53.050 0.030 0.000 0.727 214 N CB -0.853 37.675 38.487 0.069 0.000 0.950 214 N HN 0.292 nan 8.380 nan 0.000 0.541 215 I N 0.464 120.990 120.570 -0.073 0.000 2.304 215 I HA 0.187 4.357 4.170 -0.000 0.000 0.291 215 I C 0.432 176.604 176.117 0.092 0.000 1.018 215 I CA -0.716 60.497 61.300 -0.145 0.000 1.260 215 I CB 0.714 38.312 38.000 -0.669 0.000 1.390 215 I HN 0.130 nan 8.210 nan 0.000 0.475 216 D N 7.193 127.649 120.400 0.093 0.000 2.362 216 D HA 0.236 4.876 4.640 -0.000 0.000 0.242 216 D C -0.767 175.699 176.300 0.277 0.000 1.132 216 D CA 0.350 54.408 54.000 0.096 0.000 0.907 216 D CB 1.085 41.895 40.800 0.018 0.000 1.195 216 D HN 0.495 nan 8.370 nan 0.000 0.429 217 W N 0.597 121.990 121.300 0.154 0.000 3.256 217 W HA 0.595 5.255 4.660 0.000 0.000 0.324 217 W C -1.872 174.705 176.519 0.096 0.000 1.196 217 W CA -0.965 56.507 57.345 0.212 0.000 1.206 217 W CB 0.172 29.855 29.460 0.372 0.000 1.385 217 W HN 0.098 nan 8.180 nan 0.000 0.522 218 I N 2.950 123.705 120.570 0.307 0.000 2.466 218 I HA 0.638 4.808 4.170 -0.000 0.000 0.289 218 I C 0.031 176.266 176.117 0.198 0.000 1.026 218 I CA -0.659 60.702 61.300 0.101 0.000 1.078 218 I CB 1.843 39.691 38.000 -0.253 0.000 1.249 218 I HN 0.585 nan 8.210 nan 0.000 0.429 219 A N 3.971 126.947 122.820 0.260 0.000 2.350 219 A HA 0.714 5.034 4.320 -0.000 0.000 0.318 219 A C 0.326 177.960 177.584 0.084 0.000 1.132 219 A CA -0.488 51.655 52.037 0.176 0.000 0.811 219 A CB 1.004 20.135 19.000 0.219 0.000 1.313 219 A HN 0.797 nan 8.150 nan 0.000 0.454 220 N N -1.868 116.846 118.700 0.024 0.000 2.780 220 N HA -0.154 4.586 4.740 -0.000 0.000 0.248 220 N C -0.541 174.993 175.510 0.039 0.000 1.102 220 N CA 1.237 54.294 53.050 0.013 0.000 0.697 220 N CB -1.595 36.914 38.487 0.036 0.000 1.028 220 N HN 1.745 nan 8.380 nan 0.000 0.554 221 V N -3.739 116.195 119.914 0.035 0.000 3.078 221 V HA 0.989 5.109 4.120 -0.000 0.000 0.311 221 V C -0.063 176.075 176.094 0.074 0.000 1.138 221 V CA -0.666 61.684 62.300 0.083 0.000 1.007 221 V CB 2.079 33.966 31.823 0.107 0.000 1.045 221 V HN 0.337 nan 8.190 nan 0.000 0.432 222 A N 2.321 125.207 122.820 0.111 0.000 2.249 222 A HA 0.750 5.070 4.320 -0.000 0.000 0.314 222 A C -0.263 177.371 177.584 0.083 0.000 1.290 222 A CA -0.606 51.472 52.037 0.068 0.000 0.893 222 A CB 0.920 19.947 19.000 0.045 0.000 1.165 222 A HN 1.309 nan 8.150 nan 0.000 0.530 223 V N 4.624 124.545 119.914 0.011 0.000 2.446 223 V HA 0.081 4.201 4.120 -0.000 0.000 0.276 223 V C 0.836 176.878 176.094 -0.087 0.000 1.030 223 V CA 0.344 62.605 62.300 -0.064 0.000 1.033 223 V CB 0.772 32.415 31.823 -0.300 0.000 0.993 223 V HN 0.953 nan 8.190 nan 0.000 0.477 224 K N 3.404 123.770 120.400 -0.057 0.000 2.350 224 K HA 0.446 4.766 4.320 -0.000 0.000 0.196 224 K C 0.397 176.945 176.600 -0.086 0.000 1.084 224 K CA 0.693 56.943 56.287 -0.060 0.000 0.967 224 K CB 1.136 33.615 32.500 -0.034 0.000 0.950 224 K HN 0.690 nan 8.250 nan 0.000 0.512 225 A N 1.036 123.793 122.820 -0.104 0.000 2.488 225 A HA 0.696 5.016 4.320 -0.000 0.000 0.298 225 A C -1.241 176.261 177.584 -0.136 0.000 1.044 225 A CA -0.638 51.335 52.037 -0.107 0.000 0.693 225 A CB 1.116 20.071 19.000 -0.075 0.000 1.272 225 A HN 0.082 nan 8.150 nan 0.000 0.402 226 I N 2.457 122.942 120.570 -0.142 0.000 2.411 226 I HA 0.358 4.528 4.170 -0.000 0.000 0.284 226 I C -0.418 175.648 176.117 -0.085 0.000 1.012 226 I CA -0.376 60.843 61.300 -0.134 0.000 1.119 226 I CB 1.705 39.593 38.000 -0.188 0.000 1.261 226 I HN 0.578 nan 8.210 nan 0.000 0.448 227 E N 6.555 126.721 120.200 -0.057 0.000 2.222 227 E HA 0.345 4.695 4.350 -0.000 0.000 0.267 227 E C -1.848 174.732 176.600 -0.034 0.000 0.963 227 E CA -1.855 54.519 56.400 -0.044 0.000 0.837 227 E CB 1.307 30.987 29.700 -0.033 0.000 1.183 227 E HN 0.205 nan 8.360 nan 0.000 0.403 228 P HA -0.214 nan 4.420 nan 0.000 0.218 228 P C 0.583 177.877 177.300 -0.009 0.000 1.152 228 P CA 1.727 64.812 63.100 -0.025 0.000 0.857 228 P CB 0.261 31.947 31.700 -0.023 0.000 0.787 229 D N -2.226 118.171 120.400 -0.004 0.000 2.423 229 D HA 0.024 4.664 4.640 -0.000 0.000 0.208 229 D C 0.674 176.986 176.300 0.020 0.000 1.068 229 D CA 0.421 54.426 54.000 0.009 0.000 0.860 229 D CB -0.005 40.798 40.800 0.005 0.000 0.992 229 D HN 0.276 nan 8.370 nan 0.000 0.504 230 K N -1.051 119.358 120.400 0.015 0.000 2.507 230 K HA 0.637 4.957 4.320 -0.000 0.000 0.284 230 K C -1.646 174.970 176.600 0.027 0.000 1.038 230 K CA -1.035 55.270 56.287 0.030 0.000 0.903 230 K CB 1.901 34.413 32.500 0.021 0.000 1.531 230 K HN -0.178 nan 8.250 nan 0.000 0.430 231 V N 1.727 121.673 119.914 0.054 0.000 2.525 231 V HA 0.409 4.529 4.120 -0.000 0.000 0.299 231 V C -0.710 175.424 176.094 0.067 0.000 1.034 231 V CA -0.718 61.608 62.300 0.044 0.000 0.863 231 V CB 1.391 33.281 31.823 0.110 0.000 0.999 231 V HN 0.600 nan 8.190 nan 0.000 0.423 232 I N 6.144 126.717 120.570 0.005 0.000 2.359 232 I HA 0.568 4.738 4.170 -0.000 0.000 0.294 232 I C -0.530 175.612 176.117 0.041 0.000 0.987 232 I CA -0.553 60.733 61.300 -0.023 0.000 1.225 232 I CB 1.235 39.194 38.000 -0.068 0.000 1.366 232 I HN 0.762 nan 8.210 nan 0.000 0.466 233 Y N 2.834 123.138 120.300 0.007 0.000 2.605 233 Y HA 0.733 5.283 4.550 0.000 0.000 0.343 233 Y C -0.997 174.941 175.900 0.063 0.000 1.036 233 Y CA -1.228 56.881 58.100 0.016 0.000 1.065 233 Y CB 1.259 39.739 38.460 0.033 0.000 1.288 233 Y HN 0.488 nan 8.280 nan 0.000 0.481 234 E N 1.764 122.111 120.200 0.245 0.000 2.234 234 E HA 0.263 4.613 4.350 -0.000 0.000 0.266 234 E C -1.494 175.256 176.600 0.250 0.000 0.877 234 E CA -0.901 55.594 56.400 0.158 0.000 0.758 234 E CB 1.461 31.197 29.700 0.060 0.000 1.170 234 E HN 0.820 nan 8.360 nan 0.000 0.415 235 D N 2.869 123.422 120.400 0.255 0.000 2.511 235 D HA 0.069 4.709 4.640 -0.000 0.000 0.276 235 D C 1.072 177.446 176.300 0.123 0.000 1.220 235 D CA -0.450 53.679 54.000 0.214 0.000 1.077 235 D CB 0.519 41.468 40.800 0.249 0.000 1.126 235 D HN 0.434 nan 8.370 nan 0.000 0.583 236 L N -0.615 120.666 121.223 0.096 0.000 2.552 236 L HA 0.074 4.414 4.340 -0.000 0.000 0.227 236 L C 1.438 178.338 176.870 0.050 0.000 1.146 236 L CA 0.498 55.375 54.840 0.062 0.000 0.858 236 L CB -0.633 41.456 42.059 0.051 0.000 0.969 236 L HN 0.381 nan 8.230 nan 0.000 0.451 237 N N -0.432 118.303 118.700 0.059 0.000 2.424 237 N HA 0.017 4.757 4.740 -0.000 0.000 0.178 237 N C 1.234 176.758 175.510 0.024 0.000 1.060 237 N CA 0.582 53.657 53.050 0.040 0.000 0.901 237 N CB 0.482 38.997 38.487 0.047 0.000 0.979 237 N HN 0.355 nan 8.380 nan 0.000 0.451 238 G N 0.831 109.646 108.800 0.026 0.000 2.163 238 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.213 238 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.213 238 G C -0.442 174.440 174.900 -0.030 0.000 0.991 238 G CA -0.592 44.508 45.100 0.001 0.000 0.653 238 G HN 0.210 nan 8.290 nan 0.000 0.518 239 N N 0.996 119.678 118.700 -0.030 0.000 2.488 239 N HA 0.380 5.120 4.740 -0.000 0.000 0.274 239 N C -0.103 175.247 175.510 -0.266 0.000 1.111 239 N CA 0.326 53.289 53.050 -0.145 0.000 0.974 239 N CB 1.197 39.605 38.487 -0.132 0.000 1.089 239 N HN 0.119 nan 8.380 nan 0.000 0.465 240 T N 1.875 116.207 114.554 -0.369 0.000 2.889 240 T HA 0.268 4.618 4.350 -0.000 0.000 0.291 240 T C -0.701 173.537 174.700 -0.770 0.000 0.995 240 T CA -0.041 61.815 62.100 -0.408 0.000 1.092 240 T CB 0.184 68.902 68.868 -0.250 0.000 0.954 240 T HN 0.435 nan 8.240 nan 0.000 0.506 241 H N 0.624 119.396 119.070 -0.497 0.000 2.851 241 H HA 0.510 5.066 4.556 -0.000 0.000 0.372 241 H C -0.304 174.677 175.328 -0.580 0.000 1.158 241 H CA -1.019 54.682 56.048 -0.578 0.000 1.159 241 H CB 1.428 30.724 29.762 -0.776 0.000 1.757 241 H HN 0.638 nan 8.280 nan 0.000 0.546 242 E N 0.974 121.080 120.200 -0.157 0.000 2.281 242 E HA 0.761 5.111 4.350 -0.000 0.000 0.262 242 E C -1.362 175.283 176.600 0.075 0.000 0.933 242 E CA -1.139 55.234 56.400 -0.046 0.000 0.809 242 E CB 2.423 32.102 29.700 -0.035 0.000 1.242 242 E HN 0.226 nan 8.360 nan 0.000 0.418 243 V N 1.800 121.787 119.914 0.122 0.000 2.711 243 V HA 0.330 4.450 4.120 -0.000 0.000 0.304 243 V C -2.533 173.624 176.094 0.106 0.000 1.097 243 V CA -1.741 60.648 62.300 0.148 0.000 0.906 243 V CB 2.111 34.075 31.823 0.234 0.000 1.015 243 V HN 0.704 nan 8.190 nan 0.000 0.427 244 P HA 0.540 nan 4.420 nan 0.000 0.272 244 P C -1.003 176.345 177.300 0.081 0.000 1.223 244 P CA -0.130 63.009 63.100 0.066 0.000 0.784 244 P CB 0.860 32.591 31.700 0.051 0.000 0.923 245 A N 1.931 124.797 122.820 0.075 0.000 2.480 245 A HA 0.306 4.626 4.320 -0.000 0.000 0.289 245 A C 0.488 178.122 177.584 0.083 0.000 1.044 245 A CA -0.512 51.581 52.037 0.094 0.000 0.761 245 A CB 1.018 20.083 19.000 0.109 0.000 1.289 245 A HN 0.459 nan 8.150 nan 0.000 0.401 246 K N 0.962 121.425 120.400 0.105 0.000 2.284 246 K HA 0.228 4.548 4.320 -0.000 0.000 0.198 246 K C -0.678 176.022 176.600 0.167 0.000 1.048 246 K CA 0.863 57.213 56.287 0.105 0.000 0.987 246 K CB 0.199 32.754 32.500 0.091 0.000 0.800 246 K HN 0.630 nan 8.250 nan 0.000 0.486 247 F N 0.932 120.896 119.950 0.024 0.000 2.573 247 F HA 0.237 4.764 4.527 -0.000 0.000 0.316 247 F C -1.068 174.765 175.800 0.054 0.000 1.148 247 F CA -0.634 57.381 58.000 0.025 0.000 0.940 247 F CB 1.655 40.660 39.000 0.008 0.000 1.214 247 F HN -0.141 nan 8.300 nan 0.000 0.448 248 T N 4.493 118.740 114.554 -0.511 0.000 2.893 248 T HA 0.697 5.047 4.350 -0.000 0.000 0.291 248 T C -1.061 173.290 174.700 -0.582 0.000 1.028 248 T CA -0.812 61.120 62.100 -0.280 0.000 0.995 248 T CB 1.958 70.850 68.868 0.039 0.000 1.051 248 T HN 0.678 nan 8.240 nan 0.000 0.470 249 M N 3.112 122.514 119.600 -0.329 0.000 2.122 249 M HA 0.537 5.017 4.480 -0.000 0.000 0.269 249 M C -2.543 173.510 176.300 -0.412 0.000 0.954 249 M CA -1.129 53.956 55.300 -0.357 0.000 0.998 249 M CB 0.753 33.117 32.600 -0.393 0.000 1.755 249 M HN 0.811 nan 8.290 nan 0.000 0.459 250 F N 3.921 123.754 119.950 -0.196 0.000 2.532 250 F HA 0.580 5.107 4.527 -0.000 0.000 0.321 250 F C 0.339 176.053 175.800 -0.143 0.000 1.089 250 F CA -0.606 57.297 58.000 -0.162 0.000 0.926 250 F CB 1.884 40.805 39.000 -0.132 0.000 1.168 250 F HN 0.392 nan 8.300 nan 0.000 0.459 251 M N 5.681 125.277 119.600 -0.007 0.000 2.184 251 M HA 0.204 4.684 4.480 -0.000 0.000 0.351 251 M C -2.250 173.981 176.300 -0.116 0.000 1.395 251 M CA -1.800 53.444 55.300 -0.094 0.000 1.117 251 M CB 0.303 32.782 32.600 -0.201 0.000 1.708 251 M HN 0.201 nan 8.290 nan 0.000 0.468 252 P HA 0.132 nan 4.420 nan 0.000 0.273 252 P C -0.487 176.584 177.300 -0.383 0.000 1.250 252 P CA -0.317 62.604 63.100 -0.297 0.000 0.793 252 P CB 0.389 31.733 31.700 -0.594 0.000 1.011 253 S N -0.260 115.236 115.700 -0.340 0.000 2.687 253 S HA 0.638 5.108 4.470 -0.000 0.000 0.283 253 S C -0.442 174.076 174.600 -0.137 0.000 1.170 253 S CA -0.505 57.465 58.200 -0.384 0.000 1.008 253 S CB 0.219 63.279 63.200 -0.234 0.000 1.026 253 S HN 0.178 nan 8.310 nan 0.000 0.541 254 F N 0.980 120.845 119.950 -0.142 0.000 2.458 254 F HA 0.656 5.183 4.527 -0.000 0.000 0.330 254 F C 0.457 176.209 175.800 -0.080 0.000 1.082 254 F CA -1.069 56.862 58.000 -0.115 0.000 0.995 254 F CB 1.541 40.488 39.000 -0.089 0.000 1.170 254 F HN 0.874 nan 8.300 nan 0.000 0.478 255 Q N 0.286 120.166 119.800 0.133 0.000 2.511 255 Q HA 0.748 5.088 4.340 -0.000 0.000 0.289 255 Q C -0.629 175.388 176.000 0.028 0.000 1.021 255 Q CA -1.310 54.529 55.803 0.059 0.000 0.785 255 Q CB 1.883 30.638 28.738 0.027 0.000 1.472 255 Q HN 0.804 nan 8.270 nan 0.000 0.411 256 G N 1.352 110.164 108.800 0.019 0.000 2.594 256 G HA2 0.460 4.420 3.960 -0.000 0.000 0.243 256 G HA3 0.460 4.420 3.960 -0.000 0.000 0.243 256 G C -2.272 172.626 174.900 -0.004 0.000 1.229 256 G CA -0.847 44.255 45.100 0.004 0.000 0.843 256 G HN 0.595 nan 8.290 nan 0.000 0.578 257 P HA 0.252 nan 4.420 nan 0.000 0.282 257 P C 0.234 177.529 177.300 -0.007 0.000 1.287 257 P CA -0.363 62.730 63.100 -0.012 0.000 0.792 257 P CB 1.595 33.284 31.700 -0.018 0.000 1.163 258 E N -0.457 119.740 120.200 -0.006 0.000 2.158 258 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 258 E C 1.708 178.303 176.600 -0.009 0.000 0.982 258 E CA 0.594 56.991 56.400 -0.005 0.000 0.823 258 E CB -1.104 28.595 29.700 -0.002 0.000 0.766 258 E HN 0.117 nan 8.360 nan 0.000 0.468 259 V N -0.532 119.375 119.914 -0.012 0.000 2.332 259 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 259 V C 1.987 178.069 176.094 -0.021 0.000 1.055 259 V CA 1.842 64.132 62.300 -0.017 0.000 1.038 259 V CB -0.161 31.650 31.823 -0.019 0.000 0.651 259 V HN 0.191 nan 8.190 nan 0.000 0.450 260 V N 0.478 120.380 119.914 -0.019 0.000 2.307 260 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 260 V C 2.850 178.933 176.094 -0.018 0.000 1.045 260 V CA 1.972 64.259 62.300 -0.020 0.000 1.024 260 V CB -1.349 30.467 31.823 -0.013 0.000 0.651 260 V HN 0.648 nan 8.190 nan 0.000 0.449 261 A N 0.801 123.614 122.820 -0.011 0.000 1.997 261 A HA -0.288 4.032 4.320 -0.000 0.000 0.221 261 A C 2.562 180.139 177.584 -0.011 0.000 1.172 261 A CA 2.585 54.618 52.037 -0.007 0.000 0.645 261 A CB -0.823 18.174 19.000 -0.004 0.000 0.813 261 A HN 0.717 nan 8.150 nan 0.000 0.454 262 S N 0.045 115.736 115.700 -0.015 0.000 2.402 262 S HA 0.276 4.746 4.470 -0.000 0.000 0.229 262 S C 1.212 175.796 174.600 -0.026 0.000 1.021 262 S CA 0.747 58.937 58.200 -0.017 0.000 0.974 262 S CB -0.820 62.370 63.200 -0.017 0.000 0.800 262 S HN 1.104 nan 8.310 nan 0.000 0.484 263 A N 1.579 124.375 122.820 -0.041 0.000 2.386 263 A HA 0.601 4.921 4.320 -0.000 0.000 0.246 263 A C 1.077 178.640 177.584 -0.035 0.000 1.089 263 A CA -0.092 51.904 52.037 -0.068 0.000 0.790 263 A CB -0.791 18.143 19.000 -0.111 0.000 1.042 263 A HN 0.694 nan 8.150 nan 0.000 0.497 264 G N -0.313 108.473 108.800 -0.022 0.000 2.661 264 G HA2 0.222 4.182 3.960 -0.000 0.000 0.272 264 G HA3 0.222 4.182 3.960 -0.000 0.000 0.272 264 G C 0.490 175.410 174.900 0.034 0.000 1.296 264 G CA 0.458 45.575 45.100 0.027 0.000 0.998 264 G HN 0.878 nan 8.290 nan 0.000 0.553 265 D N -0.929 119.495 120.400 0.040 0.000 2.352 265 D HA -0.018 4.622 4.640 -0.000 0.000 0.232 265 D C 1.375 177.702 176.300 0.046 0.000 1.055 265 D CA 0.354 54.374 54.000 0.033 0.000 0.891 265 D CB 0.226 41.041 40.800 0.024 0.000 0.897 265 D HN 0.168 nan 8.370 nan 0.000 0.529 266 K N 0.161 120.611 120.400 0.084 0.000 2.262 266 K HA 0.101 4.421 4.320 -0.000 0.000 0.200 266 K C 1.948 178.620 176.600 0.120 0.000 1.049 266 K CA 0.257 56.613 56.287 0.114 0.000 0.979 266 K CB 0.405 33.025 32.500 0.201 0.000 0.773 266 K HN 0.154 nan 8.250 nan 0.000 0.474 267 V N 0.518 120.489 119.914 0.095 0.000 3.085 267 V HA 0.189 4.309 4.120 -0.000 0.000 0.245 267 V C 0.786 176.892 176.094 0.019 0.000 1.114 267 V CA 0.465 62.795 62.300 0.050 0.000 1.108 267 V CB 0.155 31.971 31.823 -0.011 0.000 0.798 267 V HN 0.075 nan 8.190 nan 0.000 0.471 268 A N 1.549 124.378 122.820 0.015 0.000 2.256 268 A HA 0.338 4.658 4.320 -0.000 0.000 0.317 268 A C 0.191 177.781 177.584 0.010 0.000 1.318 268 A CA -0.373 51.668 52.037 0.008 0.000 0.894 268 A CB -0.297 18.704 19.000 0.002 0.000 1.165 268 A HN 0.421 nan 8.150 nan 0.000 0.525 269 N N 5.012 123.717 118.700 0.008 0.000 2.418 269 N HA -0.004 4.736 4.740 -0.000 0.000 0.277 269 N C -1.301 174.214 175.510 0.008 0.000 1.317 269 N CA -1.134 51.920 53.050 0.007 0.000 0.922 269 N CB 0.950 39.440 38.487 0.005 0.000 1.194 269 N HN 0.355 nan 8.380 nan 0.000 0.485 270 P HA -0.172 nan 4.420 nan 0.000 0.218 270 P C 0.789 178.092 177.300 0.006 0.000 1.146 270 P CA 1.087 64.191 63.100 0.007 0.000 0.813 270 P CB 0.116 31.820 31.700 0.007 0.000 0.778 271 A N 0.484 123.307 122.820 0.006 0.000 2.014 271 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 271 A C 1.553 179.142 177.584 0.008 0.000 1.163 271 A CA 1.731 53.772 52.037 0.006 0.000 0.652 271 A CB -0.858 18.146 19.000 0.006 0.000 0.808 271 A HN 0.411 nan 8.150 nan 0.000 0.449 272 N N -3.623 115.083 118.700 0.011 0.000 2.036 272 N HA 0.080 4.820 4.740 -0.000 0.000 0.228 272 N C 0.136 175.656 175.510 0.016 0.000 1.368 272 N CA 0.350 53.409 53.050 0.015 0.000 0.846 272 N CB -0.143 38.357 38.487 0.022 0.000 1.145 272 N HN 0.264 nan 8.380 nan 0.000 0.502 273 K N -0.316 120.091 120.400 0.011 0.000 3.274 273 K HA -0.188 4.132 4.320 -0.000 0.000 0.300 273 K C -0.531 176.075 176.600 0.010 0.000 1.230 273 K CA 0.981 57.273 56.287 0.009 0.000 0.884 273 K CB -1.426 31.077 32.500 0.006 0.000 1.242 273 K HN 0.424 nan 8.250 nan 0.000 0.467 274 M N 0.634 120.243 119.600 0.016 0.000 2.283 274 M HA 0.203 4.683 4.480 -0.000 0.000 0.314 274 M C 0.607 176.915 176.300 0.014 0.000 1.153 274 M CA -0.727 54.584 55.300 0.019 0.000 1.084 274 M CB 1.194 33.813 32.600 0.032 0.000 1.468 274 M HN -0.197 nan 8.290 nan 0.000 0.474 275 V N 2.852 122.776 119.914 0.017 0.000 2.521 275 V HA 0.083 4.203 4.120 -0.000 0.000 0.286 275 V C 0.269 176.360 176.094 -0.005 0.000 1.034 275 V CA -0.133 62.174 62.300 0.012 0.000 1.045 275 V CB -0.132 31.707 31.823 0.027 0.000 0.974 275 V HN 0.579 nan 8.190 nan 0.000 0.480 276 I N 6.374 126.939 120.570 -0.009 0.000 2.505 276 I HA 0.225 4.395 4.170 -0.000 0.000 0.287 276 I C 0.111 176.197 176.117 -0.051 0.000 1.104 276 I CA 0.382 61.665 61.300 -0.028 0.000 1.387 276 I CB 0.478 38.471 38.000 -0.012 0.000 1.404 276 I HN 0.570 nan 8.210 nan 0.000 0.528 277 V N 2.817 122.666 119.914 -0.108 0.000 2.962 277 V HA 0.615 4.735 4.120 -0.000 0.000 0.313 277 V C -0.400 175.574 176.094 -0.200 0.000 1.099 277 V CA -1.015 61.190 62.300 -0.159 0.000 0.971 277 V CB 1.747 33.432 31.823 -0.230 0.000 1.028 277 V HN 0.771 nan 8.190 nan 0.000 0.430 278 N N 2.302 120.909 118.700 -0.155 0.000 2.531 278 N HA 0.374 5.114 4.740 -0.000 0.000 0.301 278 N C 0.855 176.273 175.510 -0.152 0.000 1.310 278 N CA -0.359 52.619 53.050 -0.120 0.000 0.949 278 N CB 0.113 38.572 38.487 -0.047 0.000 1.111 278 N HN 0.613 nan 8.380 nan 0.000 0.565 279 R N -1.212 119.266 120.500 -0.037 0.000 2.096 279 R HA 0.023 4.363 4.340 -0.000 0.000 0.235 279 R C 0.954 177.372 176.300 0.197 0.000 1.127 279 R CA 1.546 57.673 56.100 0.046 0.000 0.968 279 R CB -0.634 29.706 30.300 0.067 0.000 0.861 279 R HN 0.553 nan 8.270 nan 0.000 0.440 280 c N 0.075 118.796 118.600 0.201 0.000 2.578 280 c HA 0.227 4.797 4.570 -0.000 0.000 0.285 280 c C -0.065 174.317 174.090 0.487 0.000 1.297 280 c CA -0.670 55.856 56.329 0.328 0.000 1.690 280 c CB -1.676 40.990 42.510 0.260 0.000 1.773 280 c HN 0.533 nan 8.230 nan 0.000 0.594 281 F N 0.557 120.607 119.950 0.168 0.000 3.084 281 F HA -0.207 4.320 4.527 -0.000 0.000 0.286 281 F C 0.651 176.583 175.800 0.220 0.000 0.855 281 F CA 1.262 59.374 58.000 0.187 0.000 1.091 281 F CB -1.637 37.481 39.000 0.196 0.000 1.177 281 F HN 0.506 nan 8.300 nan 0.000 0.542 282 Q N 0.539 120.420 119.800 0.134 0.000 2.266 282 Q HA 0.436 4.776 4.340 -0.000 0.000 0.261 282 Q C 0.077 175.971 176.000 -0.177 0.000 0.985 282 Q CA -1.018 54.656 55.803 -0.214 0.000 0.873 282 Q CB 1.307 29.918 28.738 -0.211 0.000 1.306 282 Q HN 0.217 nan 8.270 nan 0.000 0.447 283 N N 3.732 122.299 118.700 -0.222 0.000 2.468 283 N HA 0.094 4.834 4.740 -0.000 0.000 0.265 283 N C -2.021 173.444 175.510 -0.076 0.000 1.199 283 N CA -1.232 51.764 53.050 -0.091 0.000 0.928 283 N CB 1.131 39.611 38.487 -0.011 0.000 1.059 283 N HN 0.422 nan 8.380 nan 0.000 0.467 284 P HA -0.156 nan 4.420 nan 0.000 0.216 284 P C 0.978 178.232 177.300 -0.076 0.000 1.150 284 P CA 1.504 64.570 63.100 -0.055 0.000 0.837 284 P CB 0.130 31.804 31.700 -0.044 0.000 0.786 285 T N -4.918 109.585 114.554 -0.085 0.000 3.033 285 T HA -0.002 4.348 4.350 -0.000 0.000 0.248 285 T C 0.485 174.973 174.700 -0.354 0.000 1.040 285 T CA 0.204 62.166 62.100 -0.228 0.000 1.133 285 T CB -0.688 68.003 68.868 -0.296 0.000 0.895 285 T HN -0.088 nan 8.240 nan 0.000 0.465 286 Y N 2.249 122.522 120.300 -0.046 0.000 2.804 286 Y HA 0.494 5.044 4.550 -0.000 0.000 0.330 286 Y C 1.180 177.033 175.900 -0.079 0.000 1.092 286 Y CA -1.179 56.898 58.100 -0.037 0.000 1.315 286 Y CB 0.953 39.409 38.460 -0.006 0.000 1.188 286 Y HN -0.067 nan 8.280 nan 0.000 0.512 287 K N 1.178 121.584 120.400 0.010 0.000 2.360 287 K HA -0.138 4.182 4.320 -0.000 0.000 0.201 287 K C 0.781 177.365 176.600 -0.026 0.000 1.046 287 K CA 0.736 56.999 56.287 -0.040 0.000 0.940 287 K CB -0.125 32.383 32.500 0.013 0.000 0.748 287 K HN 0.701 nan 8.250 nan 0.000 0.465 288 N N 0.360 119.110 118.700 0.083 0.000 2.276 288 N HA 0.029 4.769 4.740 -0.000 0.000 0.212 288 N C -0.029 175.618 175.510 0.228 0.000 1.127 288 N CA -0.034 53.150 53.050 0.223 0.000 0.834 288 N CB -0.015 38.500 38.487 0.046 0.000 1.014 288 N HN 0.075 nan 8.380 nan 0.000 0.491 289 I N 0.489 121.037 120.570 -0.036 0.000 2.465 289 I HA 0.417 4.587 4.170 -0.000 0.000 0.291 289 I C -1.085 174.862 176.117 -0.283 0.000 1.014 289 I CA -0.852 60.422 61.300 -0.042 0.000 1.093 289 I CB 1.110 39.104 38.000 -0.010 0.000 1.267 289 I HN -0.229 nan 8.210 nan 0.000 0.431 290 F N 2.812 122.816 119.950 0.090 0.000 2.576 290 F HA 0.713 5.240 4.527 -0.000 0.000 0.313 290 F C 0.548 176.408 175.800 0.100 0.000 1.078 290 F CA -0.726 57.346 58.000 0.119 0.000 0.921 290 F CB 2.277 41.354 39.000 0.129 0.000 1.232 290 F HN 0.362 nan 8.300 nan 0.000 0.459 291 G N 1.096 110.091 108.800 0.325 0.000 2.416 291 G HA2 0.654 4.614 3.960 -0.000 0.000 0.329 291 G HA3 0.654 4.614 3.960 -0.000 0.000 0.329 291 G C -1.911 173.184 174.900 0.324 0.000 1.173 291 G CA -0.787 44.466 45.100 0.255 0.000 0.929 291 G HN 0.495 nan 8.290 nan 0.000 0.475 292 V N 1.374 121.405 119.914 0.194 0.000 2.638 292 V HA 0.911 5.031 4.120 -0.000 0.000 0.306 292 V C 0.816 176.964 176.094 0.089 0.000 1.052 292 V CA 0.640 63.013 62.300 0.122 0.000 0.885 292 V CB 0.821 32.673 31.823 0.048 0.000 0.999 292 V HN 1.911 nan 8.190 nan 0.000 0.424 293 G N 3.312 112.157 108.800 0.075 0.000 2.508 293 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.220 293 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.220 293 G C 0.545 175.494 174.900 0.081 0.000 1.287 293 G CA -0.137 44.995 45.100 0.054 0.000 0.916 293 G HN 0.951 nan 8.290 nan 0.000 0.574 294 V N 0.283 120.214 119.914 0.027 0.000 2.407 294 V HA -0.154 3.966 4.120 -0.000 0.000 0.248 294 V C 3.041 179.157 176.094 0.036 0.000 1.055 294 V CA 2.325 64.638 62.300 0.023 0.000 1.049 294 V CB -0.653 31.110 31.823 -0.100 0.000 0.662 294 V HN 1.106 nan 8.190 nan 0.000 0.455 295 V N 1.054 120.977 119.914 0.015 0.000 2.660 295 V HA -0.148 3.972 4.120 -0.000 0.000 0.257 295 V C 1.486 177.617 176.094 0.061 0.000 1.088 295 V CA 1.859 64.174 62.300 0.024 0.000 1.106 295 V CB -0.813 31.019 31.823 0.015 0.000 0.686 295 V HN 0.830 nan 8.190 nan 0.000 0.481 296 T N 0.093 114.712 114.554 0.108 0.000 2.884 296 T HA 0.583 4.933 4.350 -0.000 0.000 0.298 296 T C -0.051 174.693 174.700 0.073 0.000 0.998 296 T CA -0.093 62.077 62.100 0.116 0.000 1.124 296 T CB 1.389 70.405 68.868 0.246 0.000 0.931 296 T HN 0.537 nan 8.240 nan 0.000 0.531 297 A N 4.177 127.010 122.820 0.021 0.000 2.347 297 A HA 0.608 4.928 4.320 -0.000 0.000 0.287 297 A C 0.055 177.631 177.584 -0.014 0.000 1.199 297 A CA -0.780 51.264 52.037 0.011 0.000 0.851 297 A CB -0.490 18.509 19.000 -0.002 0.000 1.118 297 A HN 0.906 nan 8.150 nan 0.000 0.525 298 I N 5.057 125.639 120.570 0.020 0.000 2.447 298 I HA 0.307 4.477 4.170 -0.000 0.000 0.287 298 I C -2.082 174.051 176.117 0.027 0.000 1.023 298 I CA -2.154 59.156 61.300 0.017 0.000 1.083 298 I CB 2.315 40.355 38.000 0.066 0.000 1.245 298 I HN 0.497 nan 8.210 nan 0.000 0.434 299 P HA 0.117 nan 4.420 nan 0.000 0.265 299 P C -2.479 174.842 177.300 0.036 0.000 1.193 299 P CA -0.861 62.252 63.100 0.021 0.000 0.765 299 P CB -0.479 31.229 31.700 0.012 0.000 0.823 300 P HA 0.044 nan 4.420 nan 0.000 0.266 300 P C 1.062 178.392 177.300 0.049 0.000 1.186 300 P CA 0.188 63.321 63.100 0.055 0.000 0.767 300 P CB 0.626 32.359 31.700 0.054 0.000 0.820 301 I N 0.375 120.979 120.570 0.056 0.000 2.614 301 I HA -0.095 4.075 4.170 -0.000 0.000 0.258 301 I C 1.201 177.347 176.117 0.048 0.000 1.189 301 I CA 1.442 62.767 61.300 0.042 0.000 1.462 301 I CB 0.050 38.066 38.000 0.025 0.000 1.092 301 I HN 0.470 nan 8.210 nan 0.000 0.442 302 E N 0.239 120.478 120.200 0.066 0.000 2.406 302 E HA 0.133 4.483 4.350 -0.000 0.000 0.297 302 E C -0.891 175.744 176.600 0.058 0.000 0.917 302 E CA -0.713 55.730 56.400 0.073 0.000 0.795 302 E CB 0.929 30.704 29.700 0.125 0.000 1.285 302 E HN -0.243 nan 8.360 nan 0.000 0.400 303 K N 3.063 123.486 120.400 0.038 0.000 2.237 303 K HA 0.132 4.452 4.320 -0.000 0.000 0.283 303 K C -0.645 175.961 176.600 0.009 0.000 1.080 303 K CA 0.066 56.367 56.287 0.023 0.000 0.965 303 K CB -0.047 32.464 32.500 0.018 0.000 1.098 303 K HN 0.456 nan 8.250 nan 0.000 0.434 304 T N 2.427 116.972 114.554 -0.015 0.000 2.909 304 T HA 0.312 4.662 4.350 -0.000 0.000 0.289 304 T C -1.586 173.087 174.700 -0.045 0.000 1.005 304 T CA -1.847 60.214 62.100 -0.065 0.000 1.084 304 T CB 1.226 69.980 68.868 -0.190 0.000 0.975 304 T HN 0.271 nan 8.240 nan 0.000 0.509 305 P HA -0.009 nan 4.420 nan 0.000 0.216 305 P C 0.252 177.544 177.300 -0.014 0.000 1.154 305 P CA 0.906 63.996 63.100 -0.017 0.000 0.865 305 P CB 0.011 31.706 31.700 -0.009 0.000 0.789 306 I N -0.159 120.394 120.570 -0.028 0.000 2.331 306 I HA 0.226 4.396 4.170 -0.000 0.000 0.292 306 I C -2.365 173.743 176.117 -0.015 0.000 0.998 306 I CA -3.752 57.540 61.300 -0.014 0.000 1.267 306 I CB 0.527 38.523 38.000 -0.007 0.000 1.386 306 I HN -0.246 nan 8.210 nan 0.000 0.476 307 P HA 0.024 nan 4.420 nan 0.000 0.258 307 P C -0.096 177.223 177.300 0.032 0.000 1.187 307 P CA 0.458 63.563 63.100 0.008 0.000 0.767 307 P CB 0.179 31.881 31.700 0.003 0.000 0.770 308 T N 0.700 115.285 114.554 0.051 0.000 2.916 308 T HA 0.787 5.137 4.350 -0.000 0.000 0.292 308 T C 0.135 174.908 174.700 0.122 0.000 1.055 308 T CA -0.807 61.376 62.100 0.139 0.000 1.009 308 T CB 2.071 71.063 68.868 0.207 0.000 1.118 308 T HN 0.261 nan 8.240 nan 0.000 0.497 309 G N -0.302 108.581 108.800 0.138 0.000 2.887 309 G HA2 0.658 4.618 3.960 -0.000 0.000 0.277 309 G HA3 0.658 4.618 3.960 -0.000 0.000 0.277 309 G C -0.943 174.051 174.900 0.156 0.000 1.346 309 G CA -0.609 44.552 45.100 0.102 0.000 1.058 309 G HN 1.161 nan 8.290 nan 0.000 0.535 310 V N 1.488 121.473 119.914 0.118 0.000 2.417 310 V HA 0.634 4.754 4.120 -0.000 0.000 0.291 310 V C -2.125 174.040 176.094 0.120 0.000 1.024 310 V CA -2.200 60.173 62.300 0.122 0.000 0.861 310 V CB 1.875 33.754 31.823 0.092 0.000 0.985 310 V HN 0.605 nan 8.190 nan 0.000 0.436 311 P HA 0.287 nan 4.420 nan 0.000 0.272 311 P C -1.473 175.885 177.300 0.096 0.000 1.223 311 P CA -0.295 62.871 63.100 0.110 0.000 0.784 311 P CB 0.592 32.346 31.700 0.090 0.000 0.923 312 K N 0.941 121.402 120.400 0.102 0.000 2.473 312 K HA 0.325 4.645 4.320 -0.000 0.000 0.246 312 K C 0.400 177.025 176.600 0.042 0.000 1.011 312 K CA -0.432 55.903 56.287 0.079 0.000 0.984 312 K CB 0.634 33.192 32.500 0.097 0.000 1.250 312 K HN 0.438 nan 8.250 nan 0.000 0.454 313 T N -1.364 113.202 114.554 0.021 0.000 2.849 313 T HA 0.232 4.582 4.350 -0.000 0.000 0.284 313 T C 1.563 176.263 174.700 0.000 0.000 1.004 313 T CA -0.266 61.830 62.100 -0.006 0.000 1.021 313 T CB 1.451 70.304 68.868 -0.025 0.000 1.013 313 T HN 0.502 nan 8.240 nan 0.000 0.527 314 G N 0.906 109.699 108.800 -0.012 0.000 2.469 314 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.220 314 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.220 314 G C 1.408 176.362 174.900 0.089 0.000 1.136 314 G CA 1.270 46.385 45.100 0.026 0.000 0.759 314 G HN 0.850 nan 8.290 nan 0.000 0.562 315 M N -0.395 119.248 119.600 0.071 0.000 2.200 315 M HA 0.179 4.659 4.480 -0.000 0.000 0.265 315 M C 2.539 178.875 176.300 0.059 0.000 1.066 315 M CA 1.234 56.589 55.300 0.091 0.000 1.127 315 M CB -0.124 32.523 32.600 0.077 0.000 1.379 315 M HN 0.203 nan 8.290 nan 0.000 0.420 316 M N 0.116 119.735 119.600 0.033 0.000 2.108 316 M HA -0.196 4.284 4.480 -0.000 0.000 0.261 316 M C 2.005 178.287 176.300 -0.030 0.000 1.066 316 M CA 1.751 57.055 55.300 0.008 0.000 1.107 316 M CB -0.503 32.108 32.600 0.018 0.000 1.356 316 M HN 0.358 nan 8.290 nan 0.000 0.406 317 I N -0.343 120.223 120.570 -0.007 0.000 2.286 317 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 317 I C 2.146 178.256 176.117 -0.012 0.000 1.104 317 I CA 1.227 62.514 61.300 -0.023 0.000 1.397 317 I CB -0.413 37.596 38.000 0.014 0.000 1.072 317 I HN 0.303 nan 8.210 nan 0.000 0.417 318 E N 0.540 120.770 120.200 0.051 0.000 2.118 318 E HA -0.283 4.067 4.350 -0.000 0.000 0.195 318 E C 2.233 178.838 176.600 0.008 0.000 0.992 318 E CA 1.272 57.714 56.400 0.070 0.000 0.804 318 E CB -0.038 29.752 29.700 0.150 0.000 0.741 318 E HN 0.543 nan 8.360 nan 0.000 0.458 319 Q N -0.178 119.615 119.800 -0.013 0.000 2.083 319 Q HA -0.112 4.228 4.340 -0.000 0.000 0.198 319 Q C 2.241 178.168 176.000 -0.121 0.000 0.969 319 Q CA 1.126 56.903 55.803 -0.044 0.000 0.838 319 Q CB -0.056 28.668 28.738 -0.022 0.000 0.900 319 Q HN 0.330 nan 8.270 nan 0.000 0.436 320 M N 0.254 119.718 119.600 -0.226 0.000 2.073 320 M HA -0.237 4.243 4.480 -0.000 0.000 0.258 320 M C 2.390 178.563 176.300 -0.212 0.000 1.070 320 M CA 1.760 56.809 55.300 -0.418 0.000 1.103 320 M CB -0.439 31.815 32.600 -0.576 0.000 1.321 320 M HN 0.257 nan 8.290 nan 0.000 0.405 321 A N -0.370 122.378 122.820 -0.121 0.000 1.933 321 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 321 A C 2.162 179.714 177.584 -0.054 0.000 1.175 321 A CA 1.660 53.655 52.037 -0.071 0.000 0.628 321 A CB -0.643 18.331 19.000 -0.043 0.000 0.814 321 A HN 0.527 nan 8.150 nan 0.000 0.444 322 M N -0.742 118.835 119.600 -0.038 0.000 2.099 322 M HA -0.099 4.381 4.480 -0.000 0.000 0.262 322 M C 2.398 178.727 176.300 0.047 0.000 1.067 322 M CA 1.465 56.770 55.300 0.010 0.000 1.124 322 M CB -0.211 32.378 32.600 -0.019 0.000 1.353 322 M HN 0.462 nan 8.290 nan 0.000 0.410 323 A N -0.667 122.143 122.820 -0.016 0.000 1.902 323 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 323 A C 2.032 179.654 177.584 0.063 0.000 1.181 323 A CA 1.722 53.779 52.037 0.034 0.000 0.623 323 A CB -1.041 17.989 19.000 0.049 0.000 0.818 323 A HN 0.372 nan 8.150 nan 0.000 0.443 324 V N -0.145 119.756 119.914 -0.021 0.000 2.358 324 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 324 V C 3.067 178.989 176.094 -0.286 0.000 1.047 324 V CA 1.845 64.043 62.300 -0.170 0.000 1.035 324 V CB -1.229 30.508 31.823 -0.144 0.000 0.658 324 V HN 0.628 nan 8.190 nan 0.000 0.452 325 A N -0.790 121.928 122.820 -0.169 0.000 1.873 325 A HA -0.295 4.025 4.320 -0.000 0.000 0.218 325 A C 2.113 179.567 177.584 -0.217 0.000 1.193 325 A CA 2.155 54.069 52.037 -0.205 0.000 0.629 325 A CB -0.935 17.965 19.000 -0.166 0.000 0.826 325 A HN 0.690 nan 8.150 nan 0.000 0.447 326 H N -0.507 118.479 119.070 -0.140 0.000 2.387 326 H HA -0.103 4.452 4.556 -0.000 0.000 0.299 326 H C 2.040 177.376 175.328 0.014 0.000 1.090 326 H CA 1.635 57.642 56.048 -0.068 0.000 1.332 326 H CB -0.281 29.390 29.762 -0.153 0.000 1.386 326 H HN 0.658 nan 8.280 nan 0.000 0.516 327 N N 0.390 119.155 118.700 0.109 0.000 2.166 327 N HA -0.114 4.626 4.740 -0.000 0.000 0.186 327 N C 1.924 177.390 175.510 -0.074 0.000 1.019 327 N CA 0.778 53.874 53.050 0.077 0.000 0.856 327 N CB 0.076 38.635 38.487 0.119 0.000 0.993 327 N HN 0.237 nan 8.380 nan 0.000 0.426 328 I N 0.122 120.487 120.570 -0.342 0.000 2.233 328 I HA -0.177 3.993 4.170 -0.000 0.000 0.243 328 I C 2.066 177.956 176.117 -0.378 0.000 1.093 328 I CA 0.665 61.662 61.300 -0.505 0.000 1.380 328 I CB -0.087 37.511 38.000 -0.669 0.000 1.067 328 I HN -0.022 nan 8.210 nan 0.000 0.413 329 V N 1.233 120.997 119.914 -0.250 0.000 2.295 329 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 329 V C 2.122 178.179 176.094 -0.061 0.000 1.049 329 V CA 1.925 64.129 62.300 -0.160 0.000 1.024 329 V CB -0.790 30.931 31.823 -0.171 0.000 0.648 329 V HN 0.428 nan 8.190 nan 0.000 0.447 330 N N 0.203 118.905 118.700 0.002 0.000 2.149 330 N HA -0.191 4.548 4.740 -0.000 0.000 0.188 330 N C 1.596 177.144 175.510 0.064 0.000 1.019 330 N CA 1.816 54.906 53.050 0.066 0.000 0.857 330 N CB -0.424 38.143 38.487 0.133 0.000 0.997 330 N HN 0.648 nan 8.380 nan 0.000 0.426 331 D N -0.012 120.424 120.400 0.059 0.000 2.123 331 D HA 0.038 4.678 4.640 -0.000 0.000 0.200 331 D C 1.937 178.320 176.300 0.137 0.000 0.976 331 D CA 0.564 54.639 54.000 0.125 0.000 0.831 331 D CB 0.015 40.945 40.800 0.217 0.000 0.974 331 D HN 0.170 nan 8.370 nan 0.000 0.469 332 I N 0.150 120.757 120.570 0.062 0.000 2.208 332 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 332 I C 2.033 178.198 176.117 0.081 0.000 1.097 332 I CA 1.148 62.508 61.300 0.099 0.000 1.363 332 I CB -0.155 37.859 38.000 0.022 0.000 1.051 332 I HN -0.013 nan 8.210 nan 0.000 0.413 333 R N 0.699 121.229 120.500 0.050 0.000 2.310 333 R HA 0.070 4.410 4.340 -0.000 0.000 0.202 333 R C 0.167 176.501 176.300 0.056 0.000 0.933 333 R CA 0.031 56.159 56.100 0.047 0.000 1.054 333 R CB -0.173 30.147 30.300 0.034 0.000 0.985 333 R HN 0.284 nan 8.270 nan 0.000 0.489 334 N N 1.541 120.283 118.700 0.070 0.000 2.735 334 N HA -0.193 4.547 4.740 -0.000 0.000 0.248 334 N C -1.064 174.480 175.510 0.058 0.000 1.083 334 N CA 0.777 53.868 53.050 0.068 0.000 0.703 334 N CB -1.223 37.300 38.487 0.060 0.000 1.005 334 N HN 0.295 nan 8.380 nan 0.000 0.550 335 N N 1.043 119.780 118.700 0.061 0.000 2.426 335 N HA 0.292 5.032 4.740 -0.000 0.000 0.257 335 N C -1.320 174.222 175.510 0.053 0.000 1.002 335 N CA -1.956 51.128 53.050 0.056 0.000 0.942 335 N CB 1.106 39.634 38.487 0.067 0.000 1.112 335 N HN -0.016 nan 8.380 nan 0.000 0.499 336 P HA -0.037 nan 4.420 nan 0.000 0.230 336 P C -0.683 176.615 177.300 -0.004 0.000 1.158 336 P CA 0.542 63.656 63.100 0.024 0.000 0.769 336 P CB 0.184 31.892 31.700 0.014 0.000 0.807 337 D N 1.565 121.949 120.400 -0.027 0.000 2.472 337 D HA 0.070 4.710 4.640 -0.000 0.000 0.248 337 D C 0.258 176.472 176.300 -0.143 0.000 1.174 337 D CA 0.996 54.916 54.000 -0.134 0.000 0.883 337 D CB 0.600 41.308 40.800 -0.153 0.000 1.149 337 D HN -0.001 nan 8.370 nan 0.000 0.488 338 K N 1.632 121.906 120.400 -0.209 0.000 2.259 338 K HA 0.414 4.734 4.320 -0.000 0.000 0.252 338 K C -1.104 175.357 176.600 -0.232 0.000 0.936 338 K CA -0.622 55.612 56.287 -0.089 0.000 0.810 338 K CB 1.299 33.818 32.500 0.031 0.000 1.143 338 K HN 0.246 nan 8.250 nan 0.000 0.427 339 Y N 0.508 120.859 120.300 0.085 0.000 2.376 339 Y HA 0.591 5.141 4.550 -0.000 0.000 0.340 339 Y C 0.002 175.958 175.900 0.093 0.000 0.965 339 Y CA -1.107 57.027 58.100 0.057 0.000 1.078 339 Y CB 2.086 40.548 38.460 0.003 0.000 1.193 339 Y HN 0.601 nan 8.280 nan 0.000 0.452 340 A N 5.734 128.691 122.820 0.228 0.000 2.310 340 A HA 0.663 4.983 4.320 -0.000 0.000 0.299 340 A C -2.645 175.041 177.584 0.170 0.000 1.147 340 A CA -1.846 50.317 52.037 0.211 0.000 0.818 340 A CB 0.176 19.278 19.000 0.170 0.000 1.096 340 A HN 0.423 nan 8.150 nan 0.000 0.495 341 P HA 0.203 nan 4.420 nan 0.000 0.278 341 P C 0.283 177.635 177.300 0.088 0.000 1.238 341 P CA -0.357 62.775 63.100 0.052 0.000 0.794 341 P CB 1.045 32.694 31.700 -0.085 0.000 0.955 342 R N 3.015 123.561 120.500 0.076 0.000 2.152 342 R HA -0.047 4.293 4.340 -0.000 0.000 0.232 342 R C 0.615 176.960 176.300 0.075 0.000 1.117 342 R CA 0.818 56.970 56.100 0.087 0.000 0.981 342 R CB -1.439 28.922 30.300 0.102 0.000 0.870 342 R HN 0.326 nan 8.270 nan 0.000 0.451 343 L N 1.456 122.714 121.223 0.059 0.000 3.677 343 L HA -0.214 4.126 4.340 -0.000 0.000 0.464 343 L C -0.637 176.253 176.870 0.034 0.000 1.278 343 L CA 1.319 56.190 54.840 0.052 0.000 0.806 343 L CB -2.766 39.348 42.059 0.092 0.000 1.610 343 L HN 0.406 nan 8.230 nan 0.000 0.867 344 S N -1.837 113.886 115.700 0.038 0.000 2.687 344 S HA 0.933 5.403 4.470 -0.000 0.000 0.283 344 S C 0.229 174.847 174.600 0.030 0.000 1.170 344 S CA -0.302 57.904 58.200 0.011 0.000 1.008 344 S CB 2.473 65.710 63.200 0.061 0.000 1.026 344 S HN 0.970 nan 8.310 nan 0.000 0.541 345 A N 1.028 123.843 122.820 -0.008 0.000 2.381 345 A HA 0.703 5.023 4.320 -0.000 0.000 0.299 345 A C -0.835 176.813 177.584 0.106 0.000 1.049 345 A CA -0.725 51.323 52.037 0.019 0.000 0.715 345 A CB 0.558 19.530 19.000 -0.048 0.000 1.222 345 A HN 0.806 nan 8.150 nan 0.000 0.428 346 I N 1.827 122.459 120.570 0.103 0.000 2.312 346 I HA 0.352 4.522 4.170 -0.000 0.000 0.290 346 I C -0.526 175.505 176.117 -0.144 0.000 1.008 346 I CA -0.247 61.044 61.300 -0.014 0.000 1.226 346 I CB 1.292 39.287 38.000 -0.009 0.000 1.371 346 I HN 0.631 nan 8.210 nan 0.000 0.468 347 C N 8.211 127.372 119.300 -0.232 0.000 2.397 347 C HA 0.586 5.046 4.460 -0.000 0.000 0.325 347 C C -0.304 174.589 174.990 -0.162 0.000 1.201 347 C CA -0.499 58.421 59.018 -0.163 0.000 1.377 347 C CB 0.216 27.869 27.740 -0.145 0.000 2.038 347 C HN 0.624 nan 8.230 nan 0.000 0.457 348 I N 5.424 125.929 120.570 -0.108 0.000 2.362 348 I HA 0.481 4.651 4.170 -0.000 0.000 0.289 348 I C 0.449 176.533 176.117 -0.054 0.000 0.994 348 I CA -0.155 61.092 61.300 -0.087 0.000 1.158 348 I CB 1.552 39.544 38.000 -0.013 0.000 1.315 348 I HN 0.760 nan 8.210 nan 0.000 0.451 349 A N 4.964 127.723 122.820 -0.101 0.000 2.253 349 A HA 0.326 4.646 4.320 -0.000 0.000 0.316 349 A C -0.472 176.875 177.584 -0.395 0.000 1.327 349 A CA -0.500 51.494 52.037 -0.071 0.000 0.917 349 A CB 0.276 19.389 19.000 0.189 0.000 1.162 349 A HN 0.649 nan 8.150 nan 0.000 0.535 350 D N 1.928 122.279 120.400 -0.082 0.000 2.348 350 D HA 0.318 4.958 4.640 -0.000 0.000 0.253 350 D C -0.481 175.909 176.300 0.150 0.000 1.161 350 D CA 0.088 54.074 54.000 -0.023 0.000 0.876 350 D CB 0.248 41.234 40.800 0.310 0.000 1.160 350 D HN 0.323 nan 8.370 nan 0.000 0.459 351 F N 1.851 121.848 119.950 0.078 0.000 2.772 351 F HA 0.348 4.875 4.527 0.000 0.000 0.302 351 F C 1.673 177.414 175.800 -0.098 0.000 1.136 351 F CA -0.343 57.682 58.000 0.041 0.000 1.322 351 F CB 0.280 39.295 39.000 0.026 0.000 0.967 351 F HN 0.607 nan 8.300 nan 0.000 0.513 352 G N 1.769 110.581 108.800 0.020 0.000 5.005 352 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.251 352 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.251 352 G C 1.188 175.450 174.900 -1.063 0.000 1.536 352 G CA 0.461 45.255 45.100 -0.511 0.000 1.060 352 G HN 0.426 nan 8.290 nan 0.000 0.683 353 E N 1.108 120.621 120.200 -1.144 0.000 2.399 353 E HA 0.397 4.747 4.350 -0.000 0.000 0.205 353 E C 0.583 176.770 176.600 -0.689 0.000 0.906 353 E CA 0.768 56.550 56.400 -1.030 0.000 0.998 353 E CB 0.272 29.588 29.700 -0.640 0.000 1.002 353 E HN 0.660 nan 8.360 nan 0.000 0.501 354 D N 0.604 120.784 120.400 -0.366 0.000 2.654 354 D HA 0.728 5.368 4.640 -0.000 0.000 0.255 354 D C -0.615 175.564 176.300 -0.202 0.000 1.101 354 D CA -0.996 52.893 54.000 -0.184 0.000 1.116 354 D CB 1.251 42.026 40.800 -0.042 0.000 1.348 354 D HN 0.188 nan 8.370 nan 0.000 0.609 355 A N -1.353 121.251 122.820 -0.360 0.000 2.601 355 A HA 0.723 5.043 4.320 -0.000 0.000 0.291 355 A C -0.675 176.425 177.584 -0.806 0.000 1.075 355 A CA -0.559 50.963 52.037 -0.857 0.000 0.671 355 A CB 1.303 19.983 19.000 -0.533 0.000 1.277 355 A HN 0.851 nan 8.150 nan 0.000 0.417 356 G N -0.313 107.864 108.800 -1.039 0.000 2.335 356 G HA2 0.553 4.513 3.960 -0.000 0.000 0.316 356 G HA3 0.553 4.513 3.960 -0.000 0.000 0.316 356 G C -1.006 173.576 174.900 -0.530 0.000 1.129 356 G CA -0.337 44.448 45.100 -0.525 0.000 0.899 356 G HN 0.913 nan 8.290 nan 0.000 0.448 357 F N 3.468 123.020 119.950 -0.663 0.000 2.385 357 F HA 0.684 5.211 4.527 -0.000 0.000 0.360 357 F C -1.088 174.410 175.800 -0.503 0.000 1.122 357 F CA -1.318 56.407 58.000 -0.458 0.000 1.090 357 F CB 0.615 39.440 39.000 -0.292 0.000 1.150 357 F HN 0.274 nan 8.300 nan 0.000 0.472 358 F N 6.834 126.481 119.950 -0.505 0.000 2.480 358 F HA 0.497 5.024 4.527 -0.000 0.000 0.329 358 F C -0.869 174.666 175.800 -0.442 0.000 1.091 358 F CA -1.045 56.760 58.000 -0.325 0.000 0.972 358 F CB 1.706 40.557 39.000 -0.248 0.000 1.150 358 F HN 0.375 nan 8.300 nan 0.000 0.467 359 F N 2.311 122.189 119.950 -0.121 0.000 2.585 359 F HA 0.774 5.301 4.527 -0.000 0.000 0.319 359 F C -1.396 174.418 175.800 0.024 0.000 1.165 359 F CA -0.627 57.317 58.000 -0.093 0.000 0.949 359 F CB 1.041 40.053 39.000 0.019 0.000 1.218 359 F HN 0.573 nan 8.300 nan 0.000 0.453 360 A N 4.551 126.988 122.820 -0.638 0.000 2.330 360 A HA 0.556 4.876 4.320 -0.000 0.000 0.313 360 A C -1.804 175.325 177.584 -0.758 0.000 1.124 360 A CA -0.535 51.146 52.037 -0.593 0.000 0.774 360 A CB 1.286 20.135 19.000 -0.252 0.000 1.198 360 A HN 0.742 nan 8.150 nan 0.000 0.465 361 D N 3.492 123.497 120.400 -0.658 0.000 2.440 361 D HA 0.579 5.219 4.640 -0.000 0.000 0.252 361 D C -2.640 173.577 176.300 -0.139 0.000 1.180 361 D CA -1.298 52.491 54.000 -0.351 0.000 0.894 361 D CB 2.152 42.804 40.800 -0.247 0.000 1.111 361 D HN 0.260 nan 8.370 nan 0.000 0.544 362 P HA 0.126 nan 4.420 nan 0.000 0.302 362 P C 0.842 178.080 177.300 -0.104 0.000 1.307 362 P CA -0.651 62.403 63.100 -0.076 0.000 0.754 362 P CB 0.870 32.564 31.700 -0.009 0.000 1.298 363 V N -0.836 119.036 119.914 -0.071 0.000 2.270 363 V HA -0.132 3.988 4.120 -0.000 0.000 0.245 363 V C 1.352 177.422 176.094 -0.041 0.000 1.043 363 V CA 1.481 63.743 62.300 -0.065 0.000 1.014 363 V CB -0.901 30.902 31.823 -0.033 0.000 0.645 363 V HN 0.353 nan 8.190 nan 0.000 0.447 364 I N 2.353 122.917 120.570 -0.010 0.000 2.436 364 I HA 0.152 4.322 4.170 -0.000 0.000 0.289 364 I C -2.152 173.961 176.117 -0.006 0.000 1.083 364 I CA -1.550 59.750 61.300 0.001 0.000 1.372 364 I CB 0.512 38.529 38.000 0.028 0.000 1.408 364 I HN 0.158 nan 8.210 nan 0.000 0.516 365 P HA 0.106 nan 4.420 nan 0.000 0.270 365 P C -2.322 174.978 177.300 0.001 0.000 1.223 365 P CA -0.766 62.327 63.100 -0.012 0.000 0.785 365 P CB -0.249 31.443 31.700 -0.013 0.000 0.923 366 P HA 0.280 nan 4.420 nan 0.000 0.276 366 P C -0.607 176.688 177.300 -0.008 0.000 1.244 366 P CA -0.227 62.872 63.100 -0.002 0.000 0.801 366 P CB 1.072 32.774 31.700 0.004 0.000 1.006 367 R N 0.750 121.241 120.500 -0.015 0.000 2.598 367 R HA 0.217 4.557 4.340 -0.000 0.000 0.279 367 R C 0.919 177.212 176.300 -0.011 0.000 0.984 367 R CA -0.562 55.521 56.100 -0.028 0.000 0.999 367 R CB 1.124 31.393 30.300 -0.053 0.000 1.114 367 R HN 0.448 nan 8.270 nan 0.000 0.493 368 E N 1.740 121.935 120.200 -0.009 0.000 2.086 368 E HA -0.063 4.287 4.350 -0.000 0.000 0.190 368 E C -0.106 176.510 176.600 0.027 0.000 0.975 368 E CA 1.154 57.566 56.400 0.019 0.000 0.813 368 E CB 0.415 30.140 29.700 0.040 0.000 0.768 368 E HN 0.536 nan 8.360 nan 0.000 0.457 369 R N -1.775 118.729 120.500 0.007 0.000 2.712 369 R HA 0.525 4.865 4.340 -0.000 0.000 0.272 369 R C -1.532 174.748 176.300 -0.034 0.000 1.032 369 R CA -0.611 55.512 56.100 0.038 0.000 0.874 369 R CB 1.167 31.545 30.300 0.130 0.000 1.256 369 R HN -0.047 nan 8.270 nan 0.000 0.468 370 V N -1.188 118.753 119.914 0.045 0.000 3.049 370 V HA 0.729 4.849 4.120 -0.000 0.000 0.309 370 V C -0.633 175.594 176.094 0.222 0.000 1.148 370 V CA -0.979 61.349 62.300 0.048 0.000 0.990 370 V CB 2.114 33.957 31.823 0.033 0.000 1.039 370 V HN 0.789 nan 8.190 nan 0.000 0.430 371 I N 2.791 123.567 120.570 0.342 0.000 2.466 371 I HA 0.642 4.812 4.170 -0.000 0.000 0.289 371 I C -0.365 175.938 176.117 0.311 0.000 1.026 371 I CA -0.378 61.148 61.300 0.375 0.000 1.078 371 I CB 2.487 40.807 38.000 0.533 0.000 1.249 371 I HN 0.943 nan 8.210 nan 0.000 0.429 372 T N 2.639 117.323 114.554 0.216 0.000 3.009 372 T HA 0.527 4.877 4.350 -0.000 0.000 0.346 372 T C -0.539 174.195 174.700 0.055 0.000 1.092 372 T CA -0.923 61.225 62.100 0.081 0.000 1.080 372 T CB 0.839 69.800 68.868 0.155 0.000 1.037 372 T HN 0.393 nan 8.240 nan 0.000 0.487 373 K N 2.840 123.286 120.400 0.077 0.000 2.352 373 K HA 0.710 5.030 4.320 -0.000 0.000 0.240 373 K C -0.948 175.666 176.600 0.023 0.000 1.017 373 K CA -1.096 55.271 56.287 0.133 0.000 0.851 373 K CB 2.843 35.524 32.500 0.302 0.000 1.261 373 K HN 0.528 nan 8.250 nan 0.000 0.451 374 M N 0.176 119.827 119.600 0.085 0.000 2.484 374 M HA 0.529 5.009 4.480 -0.000 0.000 0.289 374 M C -1.162 175.167 176.300 0.048 0.000 1.206 374 M CA -0.204 55.091 55.300 -0.009 0.000 0.892 374 M CB 2.514 35.150 32.600 0.061 0.000 1.712 374 M HN 0.875 nan 8.290 nan 0.000 0.462 375 G N 2.042 110.745 108.800 -0.161 0.000 2.328 375 G HA2 0.103 4.063 3.960 -0.000 0.000 0.299 375 G HA3 0.103 4.063 3.960 -0.000 0.000 0.299 375 G C -0.630 174.125 174.900 -0.242 0.000 1.435 375 G CA -0.674 44.382 45.100 -0.074 0.000 0.865 375 G HN 0.778 nan 8.290 nan 0.000 0.601 376 K N -0.515 119.893 120.400 0.013 0.000 2.015 376 K HA -0.146 4.174 4.320 -0.000 0.000 0.216 376 K C 2.378 179.049 176.600 0.118 0.000 1.052 376 K CA 2.754 59.086 56.287 0.076 0.000 0.937 376 K CB -0.242 32.411 32.500 0.256 0.000 0.719 376 K HN 0.703 nan 8.250 nan 0.000 0.446 377 W N 0.412 121.825 121.300 0.188 0.000 2.313 377 W HA -0.212 4.448 4.660 -0.000 0.000 0.293 377 W C 1.573 178.192 176.519 0.167 0.000 1.216 377 W CA 1.047 58.505 57.345 0.189 0.000 1.223 377 W CB -0.903 28.573 29.460 0.027 0.000 1.138 377 W HN 0.054 nan 8.180 nan 0.000 0.535 378 A N 0.869 123.147 122.820 -0.903 0.000 1.968 378 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 378 A C 2.203 179.634 177.584 -0.255 0.000 1.169 378 A CA 1.594 53.119 52.037 -0.853 0.000 0.638 378 A CB -1.456 16.806 19.000 -1.229 0.000 0.812 378 A HN 0.573 nan 8.150 nan 0.000 0.446 379 H N -1.675 117.204 119.070 -0.318 0.000 2.326 379 H HA -0.174 4.382 4.556 -0.000 0.000 0.301 379 H C 1.774 176.997 175.328 -0.174 0.000 1.081 379 H CA 2.105 57.988 56.048 -0.275 0.000 1.334 379 H CB -0.249 29.262 29.762 -0.417 0.000 1.385 379 H HN 0.516 nan 8.280 nan 0.000 0.504 380 Y N -0.326 119.893 120.300 -0.135 0.000 2.224 380 Y HA -0.159 4.391 4.550 -0.000 0.000 0.289 380 Y C 2.583 178.466 175.900 -0.028 0.000 1.146 380 Y CA 1.228 59.260 58.100 -0.114 0.000 1.182 380 Y CB -0.791 37.713 38.460 0.072 0.000 0.983 380 Y HN 0.182 nan 8.280 nan 0.000 0.524 381 F N 0.866 120.865 119.950 0.082 0.000 2.293 381 F HA -0.123 4.404 4.527 -0.000 0.000 0.300 381 F C 2.222 178.076 175.800 0.091 0.000 1.086 381 F CA 1.328 59.385 58.000 0.095 0.000 1.375 381 F CB -0.077 38.995 39.000 0.120 0.000 1.045 381 F HN -0.101 nan 8.300 nan 0.000 0.516 382 K N -0.286 120.134 120.400 0.034 0.000 2.062 382 K HA -0.085 4.235 4.320 -0.000 0.000 0.205 382 K C 1.930 178.522 176.600 -0.013 0.000 1.051 382 K CA 1.959 58.262 56.287 0.027 0.000 0.941 382 K CB -0.600 31.905 32.500 0.009 0.000 0.719 382 K HN 0.145 nan 8.250 nan 0.000 0.440 383 T N 0.386 114.851 114.554 -0.149 0.000 2.746 383 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 383 T C 1.858 176.526 174.700 -0.054 0.000 1.039 383 T CA 1.431 63.459 62.100 -0.119 0.000 1.142 383 T CB -0.436 68.332 68.868 -0.168 0.000 0.866 383 T HN 0.381 nan 8.240 nan 0.000 0.444 384 A N 0.590 123.371 122.820 -0.066 0.000 1.968 384 A HA 0.099 4.419 4.320 -0.000 0.000 0.217 384 A C 1.964 179.498 177.584 -0.085 0.000 1.169 384 A CA 0.861 52.850 52.037 -0.081 0.000 0.638 384 A CB -0.780 18.164 19.000 -0.094 0.000 0.812 384 A HN 0.496 nan 8.150 nan 0.000 0.446 385 F N 0.889 120.678 119.950 -0.269 0.000 2.206 385 F HA -0.042 4.485 4.527 -0.000 0.000 0.298 385 F C 2.070 177.923 175.800 0.087 0.000 1.090 385 F CA 1.669 59.594 58.000 -0.125 0.000 1.323 385 F CB -0.159 38.709 39.000 -0.220 0.000 1.028 385 F HN 0.435 nan 8.300 nan 0.000 0.492 386 E N 0.638 120.821 120.200 -0.028 0.000 2.023 386 E HA -0.258 4.092 4.350 -0.000 0.000 0.196 386 E C 2.092 178.476 176.600 -0.359 0.000 1.003 386 E CA 1.552 57.797 56.400 -0.257 0.000 0.809 386 E CB -0.094 29.597 29.700 -0.014 0.000 0.755 386 E HN 0.212 nan 8.360 nan 0.000 0.449 387 K N 0.118 120.421 120.400 -0.162 0.000 2.074 387 K HA -0.218 4.102 4.320 -0.000 0.000 0.209 387 K C 2.148 178.717 176.600 -0.051 0.000 1.048 387 K CA 1.509 57.739 56.287 -0.095 0.000 0.926 387 K CB -0.946 31.529 32.500 -0.041 0.000 0.713 387 K HN 0.365 nan 8.250 nan 0.000 0.444 388 Y N 0.691 120.874 120.300 -0.196 0.000 2.097 388 Y HA -0.255 4.295 4.550 -0.000 0.000 0.282 388 Y C 2.256 178.071 175.900 -0.142 0.000 1.152 388 Y CA 1.454 59.459 58.100 -0.158 0.000 1.136 388 Y CB -0.770 37.579 38.460 -0.185 0.000 0.975 388 Y HN 0.008 nan 8.280 nan 0.000 0.498 389 F N -0.203 119.336 119.950 -0.686 0.000 2.134 389 F HA -0.229 4.298 4.527 0.000 0.000 0.299 389 F C 2.047 177.544 175.800 -0.506 0.000 1.097 389 F CA 1.274 58.832 58.000 -0.737 0.000 1.264 389 F CB -0.518 38.013 39.000 -0.782 0.000 1.001 389 F HN 0.088 nan 8.300 nan 0.000 0.479 390 L N -0.869 120.214 121.223 -0.233 0.000 2.042 390 L HA -0.265 4.075 4.340 -0.000 0.000 0.210 390 L C 2.150 178.931 176.870 -0.148 0.000 1.076 390 L CA 1.871 56.612 54.840 -0.165 0.000 0.749 390 L CB -1.995 39.973 42.059 -0.152 0.000 0.893 390 L HN 0.516 nan 8.230 nan 0.000 0.432 391 W N 1.080 122.215 121.300 -0.275 0.000 2.321 391 W HA -0.290 4.370 4.660 -0.000 0.000 0.306 391 W C 2.698 179.031 176.519 -0.309 0.000 1.217 391 W CA 2.170 59.375 57.345 -0.233 0.000 1.257 391 W CB -0.078 29.278 29.460 -0.173 0.000 1.145 391 W HN 0.035 nan 8.180 nan 0.000 0.509 392 K N -0.422 119.759 120.400 -0.365 0.000 2.032 392 K HA -0.224 4.096 4.320 -0.000 0.000 0.209 392 K C 1.855 178.105 176.600 -0.585 0.000 1.048 392 K CA 2.234 58.151 56.287 -0.617 0.000 0.927 392 K CB -0.800 31.214 32.500 -0.810 0.000 0.712 392 K HN 0.059 nan 8.250 nan 0.000 0.441 393 V N 1.107 120.691 119.914 -0.549 0.000 2.343 393 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 393 V C 2.144 178.133 176.094 -0.174 0.000 1.051 393 V CA 1.726 63.799 62.300 -0.379 0.000 1.036 393 V CB -0.396 31.079 31.823 -0.579 0.000 0.654 393 V HN 0.294 nan 8.190 nan 0.000 0.451 394 R N -0.113 120.227 120.500 -0.265 0.000 2.189 394 R HA -0.040 4.300 4.340 -0.000 0.000 0.218 394 R C 1.256 177.446 176.300 -0.183 0.000 1.074 394 R CA 1.236 57.232 56.100 -0.173 0.000 0.991 394 R CB -0.156 30.027 30.300 -0.194 0.000 0.883 394 R HN 0.518 nan 8.270 nan 0.000 0.457 395 N N -0.992 117.397 118.700 -0.518 0.000 2.214 395 N HA 0.111 4.851 4.740 -0.000 0.000 0.214 395 N C 0.048 175.069 175.510 -0.815 0.000 1.132 395 N CA 0.486 53.171 53.050 -0.609 0.000 0.856 395 N CB 1.660 39.464 38.487 -1.140 0.000 1.020 395 N HN 0.223 nan 8.380 nan 0.000 0.509 396 G N 1.034 109.081 108.800 -1.256 0.000 2.221 396 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.265 396 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.265 396 G C -0.310 173.805 174.900 -1.309 0.000 1.041 396 G CA -0.066 43.609 45.100 -2.376 0.000 0.807 396 G HN 0.391 nan 8.290 nan 0.000 0.502 397 N N -0.395 117.871 118.700 -0.724 0.000 2.571 397 N HA 0.363 5.103 4.740 -0.000 0.000 0.286 397 N C 1.001 176.345 175.510 -0.278 0.000 1.138 397 N CA -0.860 51.953 53.050 -0.395 0.000 0.859 397 N CB 0.731 39.037 38.487 -0.301 0.000 1.414 397 N HN -0.092 nan 8.380 nan 0.000 0.529 398 I N 0.578 121.047 120.570 -0.169 0.000 3.419 398 I HA 0.185 4.355 4.170 -0.000 0.000 0.286 398 I C 0.906 176.911 176.117 -0.186 0.000 1.268 398 I CA 0.494 61.629 61.300 -0.276 0.000 1.414 398 I CB -0.732 37.109 38.000 -0.265 0.000 1.074 398 I HN 0.514 nan 8.210 nan 0.000 0.457 399 A N 2.773 125.515 122.820 -0.129 0.000 3.253 399 A HA 0.477 4.797 4.320 -0.000 0.000 0.290 399 A C -2.350 175.179 177.584 -0.092 0.000 0.950 399 A CA -0.901 51.083 52.037 -0.088 0.000 0.986 399 A CB -0.404 18.566 19.000 -0.051 0.000 1.104 399 A HN -0.026 nan 8.150 nan 0.000 0.481 400 P HA 0.040 nan 4.420 nan 0.000 0.269 400 P C 1.265 178.493 177.300 -0.119 0.000 1.209 400 P CA 0.588 63.648 63.100 -0.067 0.000 0.776 400 P CB 1.160 32.868 31.700 0.013 0.000 0.876 401 S N 2.681 118.386 115.700 0.009 0.000 2.370 401 S HA -0.240 4.230 4.470 -0.000 0.000 0.226 401 S C 1.841 176.457 174.600 0.026 0.000 1.033 401 S CA 1.436 59.652 58.200 0.026 0.000 1.011 401 S CB -1.615 61.631 63.200 0.077 0.000 0.852 401 S HN 0.546 nan 8.310 nan 0.000 0.457 402 F N 2.025 122.016 119.950 0.067 0.000 2.216 402 F HA 0.110 4.637 4.527 -0.000 0.000 0.300 402 F C 2.268 178.115 175.800 0.079 0.000 1.085 402 F CA 1.197 59.235 58.000 0.063 0.000 1.326 402 F CB -0.787 38.245 39.000 0.054 0.000 1.027 402 F HN 0.307 nan 8.300 nan 0.000 0.497 403 E N 0.784 120.488 120.200 -0.826 0.000 2.077 403 E HA -0.303 4.047 4.350 -0.000 0.000 0.193 403 E C 2.242 178.770 176.600 -0.119 0.000 0.989 403 E CA 1.497 57.596 56.400 -0.501 0.000 0.800 403 E CB -0.302 29.139 29.700 -0.432 0.000 0.746 403 E HN 0.746 nan 8.360 nan 0.000 0.452 404 E N 0.505 120.652 120.200 -0.088 0.000 2.051 404 E HA -0.215 4.135 4.350 -0.000 0.000 0.192 404 E C 1.987 178.591 176.600 0.007 0.000 0.991 404 E CA 1.285 57.673 56.400 -0.020 0.000 0.799 404 E CB 0.102 29.793 29.700 -0.014 0.000 0.748 404 E HN 0.144 nan 8.360 nan 0.000 0.449 405 K N 0.151 120.573 120.400 0.036 0.000 2.097 405 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 405 K C 2.217 178.870 176.600 0.088 0.000 1.049 405 K CA 1.327 57.650 56.287 0.061 0.000 0.933 405 K CB -0.106 32.449 32.500 0.092 0.000 0.717 405 K HN 0.079 nan 8.250 nan 0.000 0.442 406 V N 2.140 122.138 119.914 0.141 0.000 2.261 406 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 406 V C 2.294 178.514 176.094 0.210 0.000 1.047 406 V CA 1.650 64.082 62.300 0.220 0.000 1.015 406 V CB -0.411 31.555 31.823 0.239 0.000 0.642 406 V HN 0.279 nan 8.190 nan 0.000 0.446 407 L N -0.399 120.888 121.223 0.106 0.000 2.131 407 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 407 L C 2.529 179.404 176.870 0.008 0.000 1.092 407 L CA 1.680 56.556 54.840 0.060 0.000 0.759 407 L CB -0.465 41.615 42.059 0.035 0.000 0.903 407 L HN 0.439 nan 8.230 nan 0.000 0.435 408 E N 0.504 120.687 120.200 -0.030 0.000 2.072 408 E HA -0.186 4.164 4.350 -0.000 0.000 0.191 408 E C 2.274 178.828 176.600 -0.076 0.000 0.985 408 E CA 0.946 57.273 56.400 -0.121 0.000 0.801 408 E CB 0.083 29.706 29.700 -0.129 0.000 0.750 408 E HN 0.445 nan 8.360 nan 0.000 0.452 409 I N -0.339 120.211 120.570 -0.032 0.000 2.286 409 I HA -0.192 3.978 4.170 -0.000 0.000 0.245 409 I C 1.616 177.602 176.117 -0.219 0.000 1.104 409 I CA 0.826 62.051 61.300 -0.125 0.000 1.397 409 I CB -0.059 37.851 38.000 -0.151 0.000 1.072 409 I HN 0.113 nan 8.210 nan 0.000 0.417 410 F N -0.073 119.820 119.950 -0.095 0.000 2.270 410 F HA 0.057 4.584 4.527 -0.000 0.000 0.295 410 F C 1.841 177.543 175.800 -0.162 0.000 1.087 410 F CA 1.009 58.931 58.000 -0.130 0.000 1.365 410 F CB 0.095 39.006 39.000 -0.149 0.000 1.056 410 F HN -0.120 nan 8.300 nan 0.000 0.506 411 L N -1.203 120.014 121.223 -0.010 0.000 2.966 411 L HA 0.206 4.546 4.340 -0.000 0.000 0.262 411 L C 0.373 177.226 176.870 -0.027 0.000 1.165 411 L CA -0.012 54.746 54.840 -0.136 0.000 0.978 411 L CB 0.028 41.840 42.059 -0.411 0.000 1.337 411 L HN -0.086 nan 8.230 nan 0.000 0.563 412 K N 0.606 120.984 120.400 -0.037 0.000 3.035 412 K HA -0.174 4.146 4.320 -0.000 0.000 0.262 412 K C -0.224 176.346 176.600 -0.051 0.000 1.024 412 K CA 0.280 56.545 56.287 -0.037 0.000 0.748 412 K CB -1.127 31.396 32.500 0.039 0.000 1.247 412 K HN 0.122 nan 8.250 nan 0.000 0.482 413 V N 1.104 120.957 119.914 -0.100 0.000 2.612 413 V HA 0.347 4.467 4.120 -0.000 0.000 0.301 413 V C -0.187 175.744 176.094 -0.272 0.000 1.046 413 V CA -0.612 61.670 62.300 -0.030 0.000 0.946 413 V CB 1.321 33.226 31.823 0.137 0.000 1.003 413 V HN 0.259 nan 8.190 nan 0.000 0.459 414 H N 6.047 125.168 119.070 0.085 0.000 2.609 414 H HA 0.337 4.893 4.556 -0.000 0.000 0.344 414 H C -2.104 173.254 175.328 0.050 0.000 1.040 414 H CA -1.595 54.486 56.048 0.055 0.000 1.216 414 H CB 2.073 31.864 29.762 0.048 0.000 1.529 414 H HN 0.450 nan 8.280 nan 0.000 0.519 415 P HA -0.021 nan 4.420 nan 0.000 0.220 415 P C 0.441 177.773 177.300 0.053 0.000 1.152 415 P CA 0.996 64.136 63.100 0.067 0.000 0.812 415 P CB 0.545 32.258 31.700 0.023 0.000 0.792 416 I N -4.441 116.154 120.570 0.042 0.000 2.686 416 I HA 0.573 4.743 4.170 -0.000 0.000 0.295 416 I C -0.794 175.394 176.117 0.117 0.000 1.114 416 I CA -1.260 60.067 61.300 0.045 0.000 1.038 416 I CB 2.991 40.941 38.000 -0.083 0.000 1.238 416 I HN -0.334 nan 8.210 nan 0.000 0.420 417 E N 3.109 123.412 120.200 0.171 0.000 2.221 417 E HA 0.504 4.854 4.350 -0.000 0.000 0.268 417 E C -1.413 175.304 176.600 0.195 0.000 0.933 417 E CA -1.141 55.352 56.400 0.154 0.000 0.809 417 E CB 2.588 32.343 29.700 0.092 0.000 1.190 417 E HN 0.507 nan 8.360 nan 0.000 0.406 418 L N 2.274 123.540 121.223 0.070 0.000 2.418 418 L HA 0.116 4.456 4.340 -0.000 0.000 0.274 418 L C -0.801 176.023 176.870 -0.076 0.000 1.135 418 L CA 0.080 54.837 54.840 -0.138 0.000 0.870 418 L CB 0.325 42.294 42.059 -0.150 0.000 1.154 418 L HN 0.571 nan 8.230 nan 0.000 0.462 419 c N 5.831 124.377 118.600 -0.091 0.000 2.303 419 c HA 0.236 4.806 4.570 -0.000 0.000 0.341 419 c C 1.742 175.810 174.090 -0.036 0.000 1.244 419 c CA -0.713 55.603 56.329 -0.022 0.000 1.765 419 c CB -0.376 42.149 42.510 0.026 0.000 2.379 419 c HN 0.987 nan 8.230 nan 0.000 0.530 420 K N 1.918 122.306 120.400 -0.020 0.000 2.057 420 K HA -0.088 4.232 4.320 -0.000 0.000 0.207 420 K C 0.090 176.685 176.600 -0.008 0.000 1.049 420 K CA 1.482 57.758 56.287 -0.018 0.000 0.931 420 K CB 0.070 32.565 32.500 -0.009 0.000 0.714 420 K HN 0.794 nan 8.250 nan 0.000 0.440 421 D N -1.856 118.546 120.400 0.003 0.000 2.591 421 D HA 0.126 4.766 4.640 -0.000 0.000 0.222 421 D C 0.043 176.354 176.300 0.018 0.000 1.360 421 D CA -0.550 53.455 54.000 0.008 0.000 0.967 421 D CB 0.738 41.541 40.800 0.005 0.000 1.456 421 D HN -0.049 nan 8.370 nan 0.000 0.588 422 c N 2.382 120.997 118.600 0.025 0.000 2.419 422 c HA -0.012 4.558 4.570 -0.000 0.000 0.281 422 c C 1.262 175.361 174.090 0.015 0.000 1.336 422 c CA 0.183 56.533 56.329 0.036 0.000 1.770 422 c CB -0.749 41.791 42.510 0.050 0.000 1.929 422 c HN 0.567 nan 8.230 nan 0.000 0.509 423 E N 1.007 121.210 120.200 0.006 0.000 2.059 423 E HA 0.395 4.745 4.350 -0.000 0.000 0.262 423 E C 0.311 176.906 176.600 -0.007 0.000 1.230 423 E CA 0.214 56.611 56.400 -0.006 0.000 0.951 423 E CB -0.342 29.354 29.700 -0.008 0.000 1.038 423 E HN 0.653 nan 8.360 nan 0.000 0.425 424 G N 1.823 110.614 108.800 -0.015 0.000 2.340 424 G HA2 0.327 4.287 3.960 -0.000 0.000 0.300 424 G HA3 0.327 4.287 3.960 -0.000 0.000 0.300 424 G C -1.055 173.826 174.900 -0.032 0.000 1.488 424 G CA -0.454 44.636 45.100 -0.016 0.000 0.878 424 G HN 0.522 nan 8.290 nan 0.000 0.618 425 A N 1.488 124.289 122.820 -0.031 0.000 2.540 425 A HA 0.586 4.906 4.320 -0.000 0.000 0.239 425 A C -1.586 175.961 177.584 -0.062 0.000 1.061 425 A CA -0.342 51.665 52.037 -0.050 0.000 0.758 425 A CB -0.354 18.629 19.000 -0.029 0.000 0.991 425 A HN 0.538 nan 8.150 nan 0.000 0.502 426 P HA 0.188 nan 4.420 nan 0.000 0.265 426 P C 0.993 178.291 177.300 -0.003 0.000 1.193 426 P CA 1.474 64.474 63.100 -0.166 0.000 0.765 426 P CB 0.830 32.217 31.700 -0.522 0.000 0.823 427 G N 1.999 110.857 108.800 0.097 0.000 2.268 427 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.240 427 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.240 427 G C 0.355 175.295 174.900 0.066 0.000 1.010 427 G CA 0.308 45.470 45.100 0.103 0.000 0.618 427 G HN 0.885 nan 8.290 nan 0.000 0.516 428 S N 1.462 117.188 115.700 0.043 0.000 2.576 428 S HA 0.633 5.103 4.470 -0.000 0.000 0.276 428 S C 0.509 175.133 174.600 0.041 0.000 1.339 428 S CA -0.414 57.806 58.200 0.033 0.000 1.039 428 S CB 1.113 64.324 63.200 0.017 0.000 0.902 428 S HN 0.497 nan 8.310 nan 0.000 0.516 429 R N 1.445 121.965 120.500 0.034 0.000 2.316 429 R HA 0.278 4.618 4.340 -0.000 0.000 0.314 429 R C 0.425 176.744 176.300 0.031 0.000 1.069 429 R CA -0.379 55.742 56.100 0.035 0.000 0.959 429 R CB -0.399 29.918 30.300 0.028 0.000 0.987 429 R HN 0.764 nan 8.270 nan 0.000 0.446 430 c N 0.000 118.622 118.600 0.037 0.000 2.653 430 c HA 0.000 4.570 4.570 -0.000 0.000 0.325 430 c CA 0.000 56.347 56.329 0.031 0.000 1.963 430 c CB 0.000 42.535 42.510 0.042 0.000 2.134 430 c HN 0.000 nan 8.230 nan 0.000 0.568