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 3mfm_1_F DATA FIRST_RESID 10 DATA SEQUENCE DIHTTAGKLA DLRRRIEEAT HAGSARAVEK QHAKGKLTAR ERIDLLLDEG DATA SEQUENCE SFVELDEFAR HRSTNFGLDA NRPYGDGVVT GYGTVDGRPV AVFSQDFTVF DATA SEQUENCE GGALGEVYGQ KIVKVMDFAL KTGCPVVGIN DSGGARIQEG VASLGAYGEI DATA SEQUENCE FRRNTHASGV IPQISLVVGP CAGGAVYSPA ITDFTVMVDQ TSHMFITGPD DATA SEQUENCE VIKTVTGEDV GFEELGGART HNSTSGVAHH MAGDEKDAVE YVKQLLSYLP DATA SEQUENCE SNNLSEPPAF PEEADLAVTD EDAELDTIVP DSANQPYDMH SVIEHVLDDA DATA SEQUENCE EFFETQPLFA PNILTGFGRV EGRPVGIVAN QPMQFAGCLD ITASEKAARF DATA SEQUENCE VRTCDAFNVP VLTFVDVPGF LPGVDQEHDG IIRRGAKLIF AYAEATVPLI DATA SEQUENCE TVITRKAFGG AYNVMGSKHL GADLNLAWPT AQIAVMGAQG AVNILHRRTI DATA SEQUENCE ADAGDDAEAT RARLIQEYED ALLNPYTAAE RGYVDAVIMP SDTRRHIVRG DATA SEQUENCE LRQLRTKRES LPPKKHGNIP L 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 10 D HA 0.000 nan 4.640 nan 0.000 0.175 10 D C 0.000 176.282 176.300 -0.031 0.000 2.045 10 D CA 0.000 54.006 54.000 0.011 0.000 0.868 10 D CB 0.000 40.831 40.800 0.052 0.000 0.688 11 I N -0.027 120.497 120.570 -0.078 0.000 4.620 11 I HA 0.207 4.377 4.170 0.000 0.000 0.347 11 I C 0.569 176.515 176.117 -0.285 0.000 1.302 11 I CA -0.079 61.111 61.300 -0.182 0.000 1.277 11 I CB 0.190 38.047 38.000 -0.238 0.000 1.566 11 I HN 0.211 nan 8.210 nan 0.000 0.547 12 H N 0.503 119.568 119.070 -0.010 0.000 2.520 12 H HA 0.347 4.903 4.556 0.000 0.000 0.284 12 H C 0.302 175.625 175.328 -0.009 0.000 1.037 12 H CA 0.260 56.303 56.048 -0.009 0.000 1.168 12 H CB 0.351 30.109 29.762 -0.007 0.000 1.497 12 H HN 0.181 nan 8.280 nan 0.000 0.547 13 T N -3.307 111.284 114.554 0.062 0.000 2.885 13 T HA 0.157 4.507 4.350 0.000 0.000 0.285 13 T C 1.364 176.070 174.700 0.010 0.000 1.019 13 T CA -0.686 61.436 62.100 0.037 0.000 1.010 13 T CB 1.983 70.869 68.868 0.030 0.000 1.022 13 T HN -0.025 nan 8.240 nan 0.000 0.466 14 T N 1.900 116.459 114.554 0.009 0.000 2.649 14 T HA -0.227 4.123 4.350 0.000 0.000 0.268 14 T C 2.315 177.010 174.700 -0.008 0.000 1.036 14 T CA 2.055 64.155 62.100 -0.001 0.000 1.157 14 T CB -0.768 68.100 68.868 0.001 0.000 0.861 14 T HN 0.849 nan 8.240 nan 0.000 0.445 15 A N 1.154 123.971 122.820 -0.005 0.000 1.898 15 A HA 0.175 4.495 4.320 0.000 0.000 0.216 15 A C 2.672 180.247 177.584 -0.015 0.000 1.181 15 A CA 1.767 53.799 52.037 -0.008 0.000 0.620 15 A CB -1.276 17.722 19.000 -0.002 0.000 0.819 15 A HN 0.533 nan 8.150 nan 0.000 0.442 16 G N -0.394 108.396 108.800 -0.017 0.000 2.448 16 G HA2 -0.190 3.770 3.960 0.000 0.000 0.219 16 G HA3 -0.190 3.770 3.960 0.000 0.000 0.219 16 G C 1.654 176.525 174.900 -0.049 0.000 1.127 16 G CA 1.084 46.165 45.100 -0.032 0.000 0.766 16 G HN 0.584 nan 8.290 nan 0.000 0.552 17 K N -0.504 119.867 120.400 -0.048 0.000 2.007 17 K HA 0.056 4.376 4.320 0.000 0.000 0.206 17 K C 2.359 178.927 176.600 -0.054 0.000 1.047 17 K CA 0.559 56.810 56.287 -0.059 0.000 0.937 17 K CB -0.315 32.154 32.500 -0.050 0.000 0.718 17 K HN 0.107 nan 8.250 nan 0.000 0.438 18 L N 1.186 122.387 121.223 -0.037 0.000 2.034 18 L HA -0.282 4.058 4.340 0.000 0.000 0.217 18 L C 2.386 179.235 176.870 -0.035 0.000 1.077 18 L CA 2.166 56.987 54.840 -0.031 0.000 0.769 18 L CB -0.976 41.072 42.059 -0.018 0.000 0.890 18 L HN 0.228 nan 8.230 nan 0.000 0.435 19 A N -1.349 121.451 122.820 -0.033 0.000 1.968 19 A HA -0.224 4.096 4.320 0.000 0.000 0.217 19 A C 2.071 179.629 177.584 -0.043 0.000 1.169 19 A CA 1.497 53.516 52.037 -0.030 0.000 0.638 19 A CB -0.742 18.245 19.000 -0.022 0.000 0.812 19 A HN 0.497 nan 8.150 nan 0.000 0.446 20 D N -0.402 119.962 120.400 -0.060 0.000 2.104 20 D HA -0.193 4.447 4.640 0.000 0.000 0.194 20 D C 1.743 177.974 176.300 -0.115 0.000 0.994 20 D CA 1.461 55.411 54.000 -0.083 0.000 0.830 20 D CB -0.154 40.587 40.800 -0.097 0.000 0.959 20 D HN 0.245 nan 8.370 nan 0.000 0.452 21 L N 0.655 121.807 121.223 -0.118 0.000 2.127 21 L HA -0.058 4.282 4.340 0.000 0.000 0.211 21 L C 2.055 178.876 176.870 -0.082 0.000 1.089 21 L CA 1.603 56.353 54.840 -0.149 0.000 0.757 21 L CB -0.415 41.586 42.059 -0.096 0.000 0.899 21 L HN 0.009 nan 8.230 nan 0.000 0.434 22 R N -1.166 119.310 120.500 -0.039 0.000 2.090 22 R HA -0.069 4.271 4.340 0.000 0.000 0.228 22 R C 2.395 178.699 176.300 0.006 0.000 1.110 22 R CA 0.873 56.971 56.100 -0.002 0.000 0.973 22 R CB -0.405 29.896 30.300 0.002 0.000 0.869 22 R HN 0.316 nan 8.270 nan 0.000 0.440 23 R N 1.271 121.763 120.500 -0.013 0.000 2.081 23 R HA -0.100 4.240 4.340 0.000 0.000 0.235 23 R C 2.082 178.386 176.300 0.007 0.000 1.131 23 R CA 1.387 57.490 56.100 0.005 0.000 0.960 23 R CB -0.029 30.267 30.300 -0.007 0.000 0.856 23 R HN 0.170 nan 8.270 nan 0.000 0.436 24 R N 0.265 120.717 120.500 -0.079 0.000 2.083 24 R HA -0.153 4.187 4.340 0.000 0.000 0.237 24 R C 2.430 178.731 176.300 0.002 0.000 1.137 24 R CA 1.598 57.580 56.100 -0.196 0.000 0.951 24 R CB -0.707 29.210 30.300 -0.638 0.000 0.851 24 R HN 0.321 nan 8.270 nan 0.000 0.434 25 I N 1.224 121.857 120.570 0.105 0.000 2.142 25 I HA -0.241 3.929 4.170 0.000 0.000 0.240 25 I C 2.374 178.555 176.117 0.106 0.000 1.078 25 I CA 1.247 62.646 61.300 0.165 0.000 1.343 25 I CB -0.336 37.733 38.000 0.116 0.000 1.046 25 I HN 0.068 nan 8.210 nan 0.000 0.405 26 E N 0.867 121.138 120.200 0.118 0.000 2.130 26 E HA -0.260 4.090 4.350 0.000 0.000 0.196 26 E C 2.010 178.775 176.600 0.274 0.000 0.998 26 E CA 1.405 57.926 56.400 0.203 0.000 0.806 26 E CB -0.348 29.449 29.700 0.160 0.000 0.738 26 E HN 0.590 nan 8.360 nan 0.000 0.459 27 E N 0.424 120.747 120.200 0.204 0.000 2.047 27 E HA -0.083 4.267 4.350 0.000 0.000 0.191 27 E C 2.077 178.850 176.600 0.287 0.000 0.987 27 E CA 0.926 57.481 56.400 0.259 0.000 0.799 27 E CB -0.109 29.780 29.700 0.314 0.000 0.752 27 E HN 0.222 nan 8.360 nan 0.000 0.449 28 A N 1.293 124.252 122.820 0.233 0.000 1.902 28 A HA -0.189 4.131 4.320 0.000 0.000 0.217 28 A C 2.448 180.053 177.584 0.036 0.000 1.181 28 A CA 2.145 54.288 52.037 0.176 0.000 0.623 28 A CB -1.121 17.890 19.000 0.017 0.000 0.818 28 A HN 0.407 nan 8.150 nan 0.000 0.443 29 T N -3.294 111.222 114.554 -0.064 0.000 3.007 29 T HA -0.081 4.269 4.350 0.000 0.000 0.270 29 T C 0.586 174.996 174.700 -0.484 0.000 1.107 29 T CA 1.201 63.133 62.100 -0.280 0.000 1.118 29 T CB -0.447 68.196 68.868 -0.375 0.000 0.889 29 T HN 0.579 nan 8.240 nan 0.000 0.506 30 H N 0.101 119.207 119.070 0.060 0.000 2.380 30 H HA 0.675 5.231 4.556 0.000 0.000 0.231 30 H C 0.943 176.305 175.328 0.057 0.000 1.415 30 H CA -0.150 55.927 56.048 0.048 0.000 1.433 30 H CB 0.769 30.557 29.762 0.043 0.000 1.544 30 H HN 0.355 nan 8.280 nan 0.000 0.503 31 A N 1.689 124.575 122.820 0.109 0.000 1.975 31 A HA 0.167 4.487 4.320 0.000 0.000 0.215 31 A C 1.631 179.234 177.584 0.031 0.000 1.170 31 A CA 0.799 52.888 52.037 0.087 0.000 0.656 31 A CB -0.007 19.038 19.000 0.074 0.000 0.821 31 A HN 0.508 nan 8.150 nan 0.000 0.449 32 G N 0.019 108.835 108.800 0.026 0.000 2.504 32 G HA2 0.422 4.382 3.960 0.000 0.000 0.288 32 G HA3 0.422 4.382 3.960 0.000 0.000 0.288 32 G C 0.284 175.189 174.900 0.009 0.000 1.182 32 G CA 0.368 45.461 45.100 -0.011 0.000 0.894 32 G HN 0.674 nan 8.290 nan 0.000 0.521 33 S N -0.069 115.621 115.700 -0.018 0.000 2.560 33 S HA 0.331 4.801 4.470 0.000 0.000 0.284 33 S C 1.698 176.304 174.600 0.011 0.000 1.327 33 S CA 0.231 58.428 58.200 -0.006 0.000 1.055 33 S CB 1.402 64.591 63.200 -0.019 0.000 0.868 33 S HN 1.367 nan 8.310 nan 0.000 0.506 34 A N 3.410 126.237 122.820 0.012 0.000 2.084 34 A HA -0.160 4.160 4.320 0.000 0.000 0.221 34 A C 2.357 179.954 177.584 0.022 0.000 1.161 34 A CA 1.202 53.250 52.037 0.017 0.000 0.653 34 A CB -0.535 18.466 19.000 0.003 0.000 0.802 34 A HN 0.853 nan 8.150 nan 0.000 0.457 35 R N -0.604 119.905 120.500 0.015 0.000 2.062 35 R HA 0.051 4.391 4.340 0.000 0.000 0.226 35 R C 2.485 178.799 176.300 0.022 0.000 1.125 35 R CA 1.305 57.416 56.100 0.019 0.000 0.966 35 R CB -1.201 29.107 30.300 0.012 0.000 0.861 35 R HN 0.486 nan 8.270 nan 0.000 0.433 36 A N 1.400 124.231 122.820 0.017 0.000 1.908 36 A HA -0.117 4.203 4.320 0.000 0.000 0.218 36 A C 2.521 180.113 177.584 0.013 0.000 1.181 36 A CA 1.667 53.724 52.037 0.032 0.000 0.627 36 A CB -0.715 18.299 19.000 0.024 0.000 0.818 36 A HN 0.086 nan 8.150 nan 0.000 0.445 37 V N 0.262 120.167 119.914 -0.014 0.000 2.282 37 V HA -0.324 3.796 4.120 0.000 0.000 0.249 37 V C 2.395 178.406 176.094 -0.138 0.000 1.057 37 V CA 2.482 64.723 62.300 -0.098 0.000 1.032 37 V CB -0.896 30.904 31.823 -0.038 0.000 0.645 37 V HN 0.672 nan 8.190 nan 0.000 0.447 38 E N -0.388 119.817 120.200 0.008 0.000 2.158 38 E HA -0.147 4.203 4.350 0.000 0.000 0.191 38 E C 2.246 178.877 176.600 0.052 0.000 0.982 38 E CA 0.623 57.070 56.400 0.080 0.000 0.823 38 E CB -0.132 29.620 29.700 0.087 0.000 0.766 38 E HN 0.574 nan 8.360 nan 0.000 0.468 39 K N 0.710 121.129 120.400 0.031 0.000 2.209 39 K HA -0.207 4.113 4.320 0.000 0.000 0.204 39 K C 2.171 178.776 176.600 0.008 0.000 1.048 39 K CA 1.095 57.404 56.287 0.035 0.000 0.940 39 K CB -0.001 32.534 32.500 0.059 0.000 0.729 39 K HN -0.003 nan 8.250 nan 0.000 0.451 40 Q N 0.155 119.935 119.800 -0.035 0.000 2.062 40 Q HA -0.090 4.250 4.340 0.000 0.000 0.196 40 Q C 1.609 177.577 176.000 -0.053 0.000 0.967 40 Q CA 1.469 57.216 55.803 -0.093 0.000 0.832 40 Q CB 0.006 28.658 28.738 -0.144 0.000 0.899 40 Q HN 0.460 nan 8.270 nan 0.000 0.442 41 H N -0.832 118.239 119.070 0.001 0.000 2.387 41 H HA -0.079 4.477 4.556 0.000 0.000 0.299 41 H C 1.809 177.133 175.328 -0.007 0.000 1.099 41 H CA 0.791 56.837 56.048 -0.003 0.000 1.315 41 H CB 0.036 29.801 29.762 0.005 0.000 1.380 41 H HN 0.436 nan 8.280 nan 0.000 0.513 42 A N 1.244 124.134 122.820 0.117 0.000 1.978 42 A HA -0.186 4.134 4.320 0.000 0.000 0.220 42 A C 2.008 179.613 177.584 0.035 0.000 1.170 42 A CA 1.394 53.469 52.037 0.063 0.000 0.636 42 A CB -0.120 18.908 19.000 0.046 0.000 0.810 42 A HN 0.207 nan 8.150 nan 0.000 0.448 43 K N -1.605 118.806 120.400 0.017 0.000 2.365 43 K HA 0.045 4.365 4.320 0.000 0.000 0.199 43 K C 1.378 177.979 176.600 0.000 0.000 1.045 43 K CA 0.881 57.163 56.287 -0.009 0.000 0.962 43 K CB -0.349 32.117 32.500 -0.056 0.000 0.759 43 K HN 0.864 nan 8.250 nan 0.000 0.469 44 G N 1.502 110.318 108.800 0.026 0.000 2.175 44 G HA2 -0.208 3.752 3.960 0.000 0.000 0.244 44 G HA3 -0.208 3.752 3.960 0.000 0.000 0.244 44 G C -0.041 174.876 174.900 0.028 0.000 0.982 44 G CA -0.078 45.039 45.100 0.028 0.000 0.641 44 G HN 0.116 nan 8.290 nan 0.000 0.527 45 K N 0.086 120.493 120.400 0.012 0.000 2.237 45 K HA 0.603 4.923 4.320 0.000 0.000 0.270 45 K C 0.553 177.180 176.600 0.045 0.000 1.015 45 K CA -0.633 55.649 56.287 -0.008 0.000 0.949 45 K CB 1.225 33.678 32.500 -0.079 0.000 0.976 45 K HN 0.140 nan 8.250 nan 0.000 0.472 46 L N 0.940 122.183 121.223 0.033 0.000 2.439 46 L HA 0.231 4.571 4.340 0.000 0.000 0.259 46 L C 1.069 177.930 176.870 -0.014 0.000 1.129 46 L CA 0.104 54.980 54.840 0.060 0.000 0.803 46 L CB 0.641 42.722 42.059 0.036 0.000 1.161 46 L HN 0.813 nan 8.230 nan 0.000 0.462 47 T N -1.622 112.918 114.554 -0.023 0.000 2.874 47 T HA 0.472 4.822 4.350 0.000 0.000 0.281 47 T C 1.154 175.833 174.700 -0.034 0.000 0.994 47 T CA -0.159 61.906 62.100 -0.057 0.000 1.015 47 T CB 0.974 69.799 68.868 -0.071 0.000 1.028 47 T HN 0.624 nan 8.240 nan 0.000 0.523 48 A N 1.403 124.206 122.820 -0.028 0.000 1.940 48 A HA -0.087 4.233 4.320 0.000 0.000 0.219 48 A C 2.539 180.066 177.584 -0.095 0.000 1.176 48 A CA 1.286 53.299 52.037 -0.041 0.000 0.631 48 A CB -0.715 18.277 19.000 -0.014 0.000 0.814 48 A HN 0.911 nan 8.150 nan 0.000 0.446 49 R N -0.569 119.873 120.500 -0.097 0.000 2.148 49 R HA -0.075 4.265 4.340 0.000 0.000 0.223 49 R C 1.897 178.109 176.300 -0.146 0.000 1.088 49 R CA 1.397 57.407 56.100 -0.150 0.000 0.985 49 R CB -0.196 30.034 30.300 -0.116 0.000 0.880 49 R HN 0.680 nan 8.270 nan 0.000 0.451 50 E N 0.111 120.264 120.200 -0.078 0.000 2.216 50 E HA -0.083 4.267 4.350 0.000 0.000 0.192 50 E C 1.943 178.500 176.600 -0.072 0.000 0.988 50 E CA 0.556 56.925 56.400 -0.051 0.000 0.834 50 E CB 0.129 29.840 29.700 0.018 0.000 0.772 50 E HN 0.210 nan 8.360 nan 0.000 0.479 51 R N 0.462 120.913 120.500 -0.081 0.000 2.096 51 R HA -0.078 4.262 4.340 0.000 0.000 0.235 51 R C 2.244 178.460 176.300 -0.141 0.000 1.127 51 R CA 1.053 57.100 56.100 -0.089 0.000 0.968 51 R CB -0.192 30.062 30.300 -0.076 0.000 0.861 51 R HN 0.166 nan 8.270 nan 0.000 0.440 52 I N 0.362 120.800 120.570 -0.221 0.000 2.202 52 I HA -0.271 3.899 4.170 0.000 0.000 0.242 52 I C 2.031 177.978 176.117 -0.283 0.000 1.091 52 I CA 1.569 62.664 61.300 -0.342 0.000 1.368 52 I CB -0.294 37.312 38.000 -0.656 0.000 1.058 52 I HN 0.162 nan 8.210 nan 0.000 0.410 53 D N 0.755 121.014 120.400 -0.235 0.000 2.123 53 D HA -0.230 4.410 4.640 0.000 0.000 0.196 53 D C 2.010 178.254 176.300 -0.093 0.000 0.992 53 D CA 1.136 55.049 54.000 -0.146 0.000 0.833 53 D CB 0.036 40.776 40.800 -0.100 0.000 0.954 53 D HN 0.094 nan 8.370 nan 0.000 0.455 54 L N 0.033 121.207 121.223 -0.082 0.000 2.141 54 L HA 0.050 4.390 4.340 0.000 0.000 0.209 54 L C 1.898 178.735 176.870 -0.055 0.000 1.094 54 L CA 1.212 56.020 54.840 -0.055 0.000 0.763 54 L CB -0.755 41.280 42.059 -0.040 0.000 0.908 54 L HN 0.243 nan 8.230 nan 0.000 0.437 55 L N -1.018 120.160 121.223 -0.075 0.000 2.068 55 L HA 0.074 4.414 4.340 0.000 0.000 0.204 55 L C 0.867 177.704 176.870 -0.055 0.000 1.076 55 L CA 1.201 56.001 54.840 -0.066 0.000 0.753 55 L CB -0.209 41.802 42.059 -0.081 0.000 0.910 55 L HN 0.032 nan 8.230 nan 0.000 0.439 56 L N 0.386 121.572 121.223 -0.062 0.000 2.421 56 L HA 0.251 4.591 4.340 0.000 0.000 0.263 56 L C -0.308 176.554 176.870 -0.013 0.000 1.122 56 L CA -1.081 53.745 54.840 -0.024 0.000 0.804 56 L CB 0.227 42.287 42.059 0.002 0.000 1.150 56 L HN 0.026 nan 8.230 nan 0.000 0.457 57 D N 1.533 121.936 120.400 0.005 0.000 2.450 57 D HA -0.001 4.639 4.640 0.000 0.000 0.247 57 D C 0.162 176.469 176.300 0.011 0.000 1.162 57 D CA 0.269 54.272 54.000 0.004 0.000 0.879 57 D CB 0.513 41.319 40.800 0.011 0.000 1.163 57 D HN 0.431 nan 8.370 nan 0.000 0.472 58 E N 0.339 120.540 120.200 0.001 0.000 2.765 58 E HA 0.068 4.418 4.350 0.000 0.000 0.256 58 E C 1.207 177.815 176.600 0.013 0.000 0.935 58 E CA 0.759 57.161 56.400 0.004 0.000 0.954 58 E CB 0.210 29.908 29.700 -0.003 0.000 0.908 58 E HN 0.732 nan 8.360 nan 0.000 0.500 59 G N 2.500 111.313 108.800 0.021 0.000 2.199 59 G HA2 -0.373 3.587 3.960 0.000 0.000 0.254 59 G HA3 -0.373 3.587 3.960 0.000 0.000 0.254 59 G C 0.970 175.881 174.900 0.018 0.000 0.982 59 G CA 0.733 45.844 45.100 0.017 0.000 0.632 59 G HN 0.676 nan 8.290 nan 0.000 0.529 60 S N -0.671 115.051 115.700 0.037 0.000 2.458 60 S HA 0.395 4.865 4.470 0.000 0.000 0.223 60 S C 1.012 175.617 174.600 0.008 0.000 1.019 60 S CA 0.513 58.733 58.200 0.034 0.000 0.937 60 S CB 0.029 63.263 63.200 0.058 0.000 0.788 60 S HN 1.181 nan 8.310 nan 0.000 0.511 61 F N 3.702 123.579 119.950 -0.122 0.000 2.612 61 F HA 0.356 4.883 4.527 0.000 0.000 0.389 61 F C -0.540 175.079 175.800 -0.301 0.000 1.055 61 F CA -0.622 57.263 58.000 -0.192 0.000 1.232 61 F CB 0.364 39.275 39.000 -0.149 0.000 1.044 61 F HN -0.048 nan 8.300 nan 0.000 0.560 62 V N 7.161 126.366 119.914 -1.181 0.000 2.376 62 V HA 0.188 4.308 4.120 0.000 0.000 0.287 62 V C -0.089 175.132 176.094 -1.456 0.000 1.015 62 V CA -1.019 60.513 62.300 -1.280 0.000 0.834 62 V CB 1.228 32.214 31.823 -1.397 0.000 1.001 62 V HN 0.750 nan 8.190 nan 0.000 0.428 63 E N 4.423 123.837 120.200 -1.310 0.000 2.373 63 E HA 0.486 4.836 4.350 0.000 0.000 0.267 63 E C -1.164 175.142 176.600 -0.489 0.000 1.032 63 E CA -0.327 55.547 56.400 -0.876 0.000 0.889 63 E CB 0.894 30.278 29.700 -0.527 0.000 0.984 63 E HN 0.574 nan 8.360 nan 0.000 0.425 64 L N 3.386 124.424 121.223 -0.307 0.000 2.342 64 L HA 0.286 4.626 4.340 0.000 0.000 0.271 64 L C -0.489 176.298 176.870 -0.139 0.000 1.008 64 L CA -0.945 53.781 54.840 -0.191 0.000 0.818 64 L CB 1.665 43.644 42.059 -0.134 0.000 1.296 64 L HN 0.675 nan 8.230 nan 0.000 0.427 65 D N 1.183 121.518 120.400 -0.109 0.000 2.686 65 D HA -0.229 4.411 4.640 0.000 0.000 0.235 65 D C 1.004 177.227 176.300 -0.129 0.000 1.160 65 D CA 1.268 55.226 54.000 -0.071 0.000 0.645 65 D CB -0.559 40.228 40.800 -0.021 0.000 1.039 65 D HN 0.802 nan 8.370 nan 0.000 0.423 66 E N -0.717 119.300 120.200 -0.304 0.000 2.051 66 E HA -0.179 4.171 4.350 0.000 0.000 0.192 66 E C 1.208 177.566 176.600 -0.404 0.000 0.991 66 E CA 1.084 57.187 56.400 -0.494 0.000 0.799 66 E CB 0.013 29.152 29.700 -0.935 0.000 0.748 66 E HN 0.344 nan 8.360 nan 0.000 0.449 67 F N 0.650 120.591 119.950 -0.015 0.000 2.645 67 F HA 0.416 4.943 4.527 0.000 0.000 0.300 67 F C 0.600 176.528 175.800 0.214 0.000 1.115 67 F CA -0.202 57.834 58.000 0.059 0.000 1.355 67 F CB -0.308 38.627 39.000 -0.109 0.000 1.026 67 F HN -0.029 nan 8.300 nan 0.000 0.536 68 A N 2.128 125.087 122.820 0.232 0.000 2.507 68 A HA 0.544 4.864 4.320 0.000 0.000 0.235 68 A C 0.625 178.325 177.584 0.193 0.000 1.070 68 A CA -0.135 52.008 52.037 0.176 0.000 0.768 68 A CB 0.208 19.266 19.000 0.096 0.000 1.011 68 A HN 0.533 nan 8.150 nan 0.000 0.502 69 R N 1.372 121.945 120.500 0.123 0.000 2.594 69 R HA 0.424 4.764 4.340 0.000 0.000 0.265 69 R C -0.563 175.753 176.300 0.028 0.000 1.070 69 R CA -0.686 55.454 56.100 0.067 0.000 0.909 69 R CB 0.557 30.838 30.300 -0.031 0.000 1.243 69 R HN 1.028 nan 8.270 nan 0.000 0.455 70 H N 1.689 120.792 119.070 0.055 0.000 2.765 70 H HA 0.184 4.740 4.556 0.000 0.000 0.385 70 H C 0.186 175.528 175.328 0.023 0.000 1.562 70 H CA 0.361 56.431 56.048 0.037 0.000 1.473 70 H CB 0.711 30.493 29.762 0.033 0.000 1.536 70 H HN 0.843 nan 8.280 nan 0.000 0.610 71 R N -0.045 120.567 120.500 0.187 0.000 2.518 71 R HA 0.216 4.556 4.340 0.000 0.000 0.419 71 R C -0.430 175.997 176.300 0.211 0.000 0.902 71 R CA -0.142 55.997 56.100 0.064 0.000 1.146 71 R CB -0.358 29.960 30.300 0.030 0.000 1.652 71 R HN 0.403 nan 8.270 nan 0.000 0.555 72 S N 1.486 117.474 115.700 0.480 0.000 2.510 72 S HA 0.066 4.536 4.470 0.000 0.000 0.279 72 S C 1.049 175.790 174.600 0.235 0.000 1.284 72 S CA 0.201 58.530 58.200 0.215 0.000 1.059 72 S CB 1.009 64.216 63.200 0.012 0.000 0.901 72 S HN 0.404 nan 8.310 nan 0.000 0.491 73 T N 1.752 116.380 114.554 0.124 0.000 3.105 73 T HA 0.231 4.581 4.350 0.000 0.000 0.253 73 T C 0.187 174.926 174.700 0.064 0.000 1.047 73 T CA -0.539 61.617 62.100 0.093 0.000 0.944 73 T CB -0.403 68.491 68.868 0.043 0.000 1.016 73 T HN 0.486 nan 8.240 nan 0.000 0.544 74 N N 2.166 120.919 118.700 0.089 0.000 2.513 74 N HA 0.484 5.224 4.740 0.000 0.000 0.268 74 N C 0.085 175.746 175.510 0.251 0.000 1.180 74 N CA -0.486 52.613 53.050 0.082 0.000 0.948 74 N CB -0.209 38.423 38.487 0.241 0.000 1.083 74 N HN 0.236 nan 8.380 nan 0.000 0.455 75 F N -0.756 119.188 119.950 -0.010 0.000 2.182 75 F HA -0.292 4.235 4.527 0.000 0.000 0.318 75 F C 1.777 177.584 175.800 0.012 0.000 0.130 75 F CA 1.220 59.217 58.000 -0.005 0.000 0.911 75 F CB -1.243 37.745 39.000 -0.020 0.000 4.132 75 F HN 0.497 nan 8.300 nan 0.000 0.139 76 G N -0.534 108.426 108.800 0.267 0.000 3.314 76 G HA2 0.354 4.314 3.960 0.000 0.000 0.238 76 G HA3 0.354 4.314 3.960 0.000 0.000 0.238 76 G C 0.876 175.873 174.900 0.162 0.000 1.184 76 G CA 0.247 45.443 45.100 0.161 0.000 0.806 76 G HN 0.359 nan 8.290 nan 0.000 0.536 77 L N 0.302 121.630 121.223 0.175 0.000 2.083 77 L HA -0.020 4.320 4.340 0.000 0.000 0.209 77 L C 2.269 179.345 176.870 0.344 0.000 1.083 77 L CA 1.384 56.323 54.840 0.165 0.000 0.752 77 L CB -0.132 41.896 42.059 -0.052 0.000 0.899 77 L HN 0.097 nan 8.230 nan 0.000 0.433 78 D N -0.395 120.170 120.400 0.274 0.000 2.191 78 D HA -0.275 4.365 4.640 0.000 0.000 0.195 78 D C 2.174 178.547 176.300 0.122 0.000 1.003 78 D CA 1.533 55.635 54.000 0.170 0.000 0.867 78 D CB -0.105 40.751 40.800 0.094 0.000 0.926 78 D HN 0.436 nan 8.370 nan 0.000 0.450 79 A N 0.043 122.939 122.820 0.127 0.000 1.972 79 A HA -0.130 4.190 4.320 0.000 0.000 0.219 79 A C 0.829 178.461 177.584 0.079 0.000 1.169 79 A CA 1.023 53.110 52.037 0.084 0.000 0.635 79 A CB 0.045 19.092 19.000 0.078 0.000 0.810 79 A HN 0.122 nan 8.150 nan 0.000 0.446 80 N N -0.034 118.751 118.700 0.142 0.000 2.461 80 N HA 0.360 5.100 4.740 0.000 0.000 0.284 80 N C -1.136 174.500 175.510 0.210 0.000 1.049 80 N CA -0.271 52.849 53.050 0.116 0.000 0.889 80 N CB 1.412 39.936 38.487 0.061 0.000 1.365 80 N HN 0.272 nan 8.380 nan 0.000 0.499 81 R N 1.780 122.315 120.500 0.058 0.000 2.651 81 R HA 0.289 4.629 4.340 0.000 0.000 0.282 81 R C -2.480 173.769 176.300 -0.084 0.000 1.565 81 R CA -1.341 54.765 56.100 0.010 0.000 1.661 81 R CB 1.136 31.308 30.300 -0.214 0.000 1.189 81 R HN 0.331 nan 8.270 nan 0.000 0.621 82 P HA -0.053 nan 4.420 nan 0.000 0.267 82 P C -0.473 176.829 177.300 0.003 0.000 1.209 82 P CA -0.072 63.004 63.100 -0.040 0.000 0.763 82 P CB 0.360 32.065 31.700 0.008 0.000 0.816 83 Y N 2.071 122.429 120.300 0.098 0.000 2.969 83 Y HA 0.110 4.660 4.550 0.000 0.000 0.339 83 Y C 2.187 178.126 175.900 0.067 0.000 1.272 83 Y CA 2.181 60.348 58.100 0.112 0.000 1.577 83 Y CB -0.755 37.808 38.460 0.171 0.000 1.234 83 Y HN 0.844 nan 8.280 nan 0.000 0.590 84 G N 1.710 110.641 108.800 0.218 0.000 2.253 84 G HA2 -0.387 3.573 3.960 0.000 0.000 0.251 84 G HA3 -0.387 3.573 3.960 0.000 0.000 0.251 84 G C 0.560 175.504 174.900 0.073 0.000 0.998 84 G CA 0.427 45.583 45.100 0.092 0.000 0.621 84 G HN 0.857 nan 8.290 nan 0.000 0.524 85 D N -1.274 119.207 120.400 0.135 0.000 2.837 85 D HA 0.120 4.760 4.640 0.000 0.000 0.230 85 D C 1.813 178.234 176.300 0.202 0.000 1.152 85 D CA 3.249 57.369 54.000 0.200 0.000 0.736 85 D CB -1.307 39.614 40.800 0.201 0.000 1.084 85 D HN 2.229 nan 8.370 nan 0.000 0.429 86 G N -2.572 106.291 108.800 0.104 0.000 2.159 86 G HA2 -0.063 3.897 3.960 0.000 0.000 0.227 86 G HA3 -0.063 3.897 3.960 0.000 0.000 0.227 86 G C 0.120 174.880 174.900 -0.233 0.000 0.986 86 G CA 0.245 45.405 45.100 0.100 0.000 0.651 86 G HN 1.239 nan 8.290 nan 0.000 0.523 87 V N 0.307 120.008 119.914 -0.356 0.000 2.777 87 V HA 0.673 4.793 4.120 0.000 0.000 0.306 87 V C -0.513 175.484 176.094 -0.161 0.000 1.112 87 V CA -0.618 61.430 62.300 -0.419 0.000 0.917 87 V CB 2.235 33.512 31.823 -0.910 0.000 1.018 87 V HN 0.558 nan 8.190 nan 0.000 0.426 88 V N 6.013 125.891 119.914 -0.061 0.000 2.427 88 V HA 0.770 4.890 4.120 0.000 0.000 0.286 88 V C 0.292 176.434 176.094 0.080 0.000 1.034 88 V CA 0.075 62.378 62.300 0.004 0.000 0.893 88 V CB 1.770 33.581 31.823 -0.019 0.000 0.982 88 V HN 1.066 nan 8.190 nan 0.000 0.452 89 T N 1.218 115.851 114.554 0.131 0.000 2.903 89 T HA 0.958 5.308 4.350 0.000 0.000 0.299 89 T C -0.177 174.640 174.700 0.194 0.000 1.093 89 T CA -0.151 62.052 62.100 0.171 0.000 1.002 89 T CB 2.242 71.163 68.868 0.088 0.000 1.127 89 T HN 1.308 nan 8.240 nan 0.000 0.488 90 G N 0.402 109.318 108.800 0.194 0.000 2.323 90 G HA2 0.492 4.452 3.960 0.000 0.000 0.291 90 G HA3 0.492 4.452 3.960 0.000 0.000 0.291 90 G C -2.078 172.845 174.900 0.038 0.000 1.278 90 G CA -0.501 44.579 45.100 -0.033 0.000 0.860 90 G HN 1.325 nan 8.290 nan 0.000 0.504 91 Y N -0.861 119.325 120.300 -0.190 0.000 2.562 91 Y HA 0.919 5.469 4.550 0.000 0.000 0.343 91 Y C 0.386 176.289 175.900 0.006 0.000 1.025 91 Y CA -0.651 57.381 58.100 -0.112 0.000 1.082 91 Y CB 1.888 40.158 38.460 -0.317 0.000 1.264 91 Y HN 1.454 nan 8.280 nan 0.000 0.478 92 G N 0.186 109.151 108.800 0.275 0.000 2.578 92 G HA2 0.533 4.493 3.960 0.000 0.000 0.302 92 G HA3 0.533 4.493 3.960 0.000 0.000 0.302 92 G C -1.490 173.520 174.900 0.183 0.000 1.243 92 G CA -0.520 44.699 45.100 0.198 0.000 0.843 92 G HN 1.079 nan 8.290 nan 0.000 0.486 93 T N -2.322 112.302 114.554 0.116 0.000 2.893 93 T HA 0.693 5.043 4.350 0.000 0.000 0.291 93 T C -1.108 173.617 174.700 0.041 0.000 1.028 93 T CA -0.724 61.423 62.100 0.079 0.000 0.995 93 T CB 1.956 70.864 68.868 0.066 0.000 1.051 93 T HN 0.820 nan 8.240 nan 0.000 0.470 94 V N 2.701 122.626 119.914 0.019 0.000 2.407 94 V HA 0.356 4.476 4.120 0.000 0.000 0.291 94 V C -0.359 175.724 176.094 -0.018 0.000 1.018 94 V CA -0.671 61.624 62.300 -0.010 0.000 0.842 94 V CB 0.988 32.794 31.823 -0.027 0.000 0.996 94 V HN 1.122 nan 8.190 nan 0.000 0.426 95 D N 4.314 124.701 120.400 -0.022 0.000 2.708 95 D HA -0.207 4.433 4.640 0.000 0.000 0.236 95 D C 1.361 177.665 176.300 0.005 0.000 1.146 95 D CA 1.663 55.652 54.000 -0.018 0.000 0.662 95 D CB -1.014 39.766 40.800 -0.034 0.000 1.059 95 D HN 1.429 nan 8.370 nan 0.000 0.428 96 G N -0.444 108.363 108.800 0.012 0.000 2.184 96 G HA2 -0.383 3.577 3.960 0.000 0.000 0.264 96 G HA3 -0.383 3.577 3.960 0.000 0.000 0.264 96 G C 0.280 175.193 174.900 0.022 0.000 0.975 96 G CA 0.604 45.717 45.100 0.022 0.000 0.642 96 G HN 0.547 nan 8.290 nan 0.000 0.536 97 R N 1.068 121.577 120.500 0.016 0.000 2.445 97 R HA 0.507 4.847 4.340 0.000 0.000 0.308 97 R C -2.435 173.883 176.300 0.029 0.000 0.961 97 R CA -2.021 54.086 56.100 0.011 0.000 0.862 97 R CB 1.858 32.149 30.300 -0.014 0.000 1.144 97 R HN 0.121 nan 8.270 nan 0.000 0.447 98 P HA -0.016 nan 4.420 nan 0.000 0.266 98 P C -0.721 176.630 177.300 0.085 0.000 1.195 98 P CA 0.063 63.212 63.100 0.082 0.000 0.768 98 P CB 1.126 32.869 31.700 0.072 0.000 0.838 99 V N 1.360 121.351 119.914 0.129 0.000 3.120 99 V HA 0.759 4.879 4.120 0.000 0.000 0.303 99 V C -1.636 174.566 176.094 0.181 0.000 1.238 99 V CA -0.840 61.530 62.300 0.118 0.000 1.008 99 V CB 2.170 34.033 31.823 0.067 0.000 1.064 99 V HN 0.787 nan 8.190 nan 0.000 0.434 100 A N 4.173 127.099 122.820 0.175 0.000 2.355 100 A HA 0.973 5.293 4.320 0.000 0.000 0.324 100 A C -1.239 176.432 177.584 0.145 0.000 1.117 100 A CA -0.550 51.610 52.037 0.205 0.000 0.785 100 A CB 1.944 21.110 19.000 0.277 0.000 1.254 100 A HN 1.453 nan 8.150 nan 0.000 0.453 101 V N 1.285 121.287 119.914 0.148 0.000 2.971 101 V HA 0.766 4.886 4.120 0.000 0.000 0.309 101 V C -1.067 175.113 176.094 0.143 0.000 1.130 101 V CA -0.518 61.816 62.300 0.057 0.000 0.964 101 V CB 1.608 33.442 31.823 0.019 0.000 1.029 101 V HN 1.141 nan 8.190 nan 0.000 0.427 102 F N 0.580 120.550 119.950 0.034 0.000 2.619 102 F HA 0.897 5.424 4.527 0.000 0.000 0.308 102 F C -0.658 175.131 175.800 -0.018 0.000 1.097 102 F CA -1.083 56.920 58.000 0.006 0.000 0.953 102 F CB 2.025 41.032 39.000 0.011 0.000 1.287 102 F HN 0.403 nan 8.300 nan 0.000 0.446 103 S N 1.976 117.789 115.700 0.188 0.000 2.736 103 S HA 0.378 4.848 4.470 0.000 0.000 0.285 103 S C -1.418 173.244 174.600 0.103 0.000 1.163 103 S CA -0.558 57.672 58.200 0.051 0.000 1.025 103 S CB 1.016 64.175 63.200 -0.068 0.000 1.030 103 S HN 0.765 nan 8.310 nan 0.000 0.486 104 Q N 2.486 122.385 119.800 0.166 0.000 2.286 104 Q HA 0.224 4.564 4.340 0.000 0.000 0.257 104 Q C -0.829 175.252 176.000 0.134 0.000 0.941 104 Q CA -0.361 55.534 55.803 0.153 0.000 0.912 104 Q CB 0.835 29.761 28.738 0.313 0.000 1.192 104 Q HN 0.497 nan 8.270 nan 0.000 0.410 105 D N 2.819 123.278 120.400 0.099 0.000 2.524 105 D HA 0.026 4.666 4.640 0.000 0.000 0.222 105 D C 0.078 176.482 176.300 0.174 0.000 1.142 105 D CA -0.381 53.684 54.000 0.108 0.000 0.973 105 D CB -0.066 40.760 40.800 0.043 0.000 1.025 105 D HN 0.547 nan 8.370 nan 0.000 0.519 106 F N 2.006 121.998 119.950 0.071 0.000 2.440 106 F HA -0.208 4.319 4.527 0.000 0.000 0.297 106 F C 1.814 177.638 175.800 0.039 0.000 1.077 106 F CA 1.195 59.237 58.000 0.070 0.000 1.462 106 F CB 0.289 39.316 39.000 0.045 0.000 1.101 106 F HN 0.204 nan 8.300 nan 0.000 0.584 107 T N -1.320 113.319 114.554 0.142 0.000 3.067 107 T HA 0.030 4.380 4.350 0.000 0.000 0.257 107 T C 1.855 176.517 174.700 -0.063 0.000 1.105 107 T CA 0.879 63.014 62.100 0.059 0.000 1.104 107 T CB 0.102 69.003 68.868 0.056 0.000 0.925 107 T HN 0.082 nan 8.240 nan 0.000 0.498 108 V N -0.043 119.830 119.914 -0.069 0.000 2.992 108 V HA 0.286 4.406 4.120 0.000 0.000 0.250 108 V C 0.941 176.754 176.094 -0.468 0.000 1.090 108 V CA 1.014 63.201 62.300 -0.189 0.000 1.101 108 V CB -0.099 31.700 31.823 -0.040 0.000 0.743 108 V HN 0.336 nan 8.190 nan 0.000 0.468 109 F N -0.563 119.331 119.950 -0.093 0.000 2.041 109 F HA 0.503 5.030 4.527 0.000 0.000 0.210 109 F C 1.889 177.502 175.800 -0.311 0.000 1.294 109 F CA 0.345 58.253 58.000 -0.153 0.000 1.229 109 F CB -0.184 38.741 39.000 -0.124 0.000 1.977 109 F HN -0.175 nan 8.300 nan 0.000 0.117 110 G N -0.872 107.857 108.800 -0.118 0.000 3.371 110 G HA2 0.399 4.359 3.960 0.000 0.000 0.248 110 G HA3 0.399 4.359 3.960 0.000 0.000 0.248 110 G C 0.914 175.534 174.900 -0.467 0.000 1.161 110 G CA 0.240 45.018 45.100 -0.536 0.000 0.796 110 G HN 1.162 nan 8.290 nan 0.000 0.539 111 G N -0.821 107.899 108.800 -0.133 0.000 2.136 111 G HA2 0.078 4.038 3.960 0.000 0.000 0.242 111 G HA3 0.078 4.038 3.960 0.000 0.000 0.242 111 G C 0.645 175.628 174.900 0.138 0.000 0.989 111 G CA 0.142 45.322 45.100 0.134 0.000 0.682 111 G HN 1.473 nan 8.290 nan 0.000 0.522 112 A N 0.694 123.514 122.820 0.000 0.000 2.566 112 A HA 0.426 4.746 4.320 0.000 0.000 0.245 112 A C 1.014 178.314 177.584 -0.474 0.000 1.056 112 A CA 0.249 52.174 52.037 -0.188 0.000 0.757 112 A CB 0.265 19.124 19.000 -0.235 0.000 0.979 112 A HN 1.415 nan 8.150 nan 0.000 0.508 113 L N 4.284 125.102 121.223 -0.675 0.000 2.562 113 L HA 0.359 4.699 4.340 0.000 0.000 0.271 113 L C 0.750 177.110 176.870 -0.850 0.000 1.167 113 L CA 1.245 55.352 54.840 -1.221 0.000 0.917 113 L CB -0.456 41.006 42.059 -0.996 0.000 1.187 113 L HN 0.790 nan 8.230 nan 0.000 0.482 114 G N 3.826 112.166 108.800 -0.767 0.000 2.705 114 G HA2 0.281 4.241 3.960 0.000 0.000 0.299 114 G HA3 0.281 4.241 3.960 0.000 0.000 0.299 114 G C 0.415 175.161 174.900 -0.258 0.000 1.315 114 G CA -0.030 44.837 45.100 -0.389 0.000 1.045 114 G HN 0.742 nan 8.290 nan 0.000 0.517 115 E N -1.358 118.751 120.200 -0.152 0.000 2.028 115 E HA -0.121 4.229 4.350 0.000 0.000 0.191 115 E C 2.411 178.994 176.600 -0.029 0.000 0.988 115 E CA 1.112 57.455 56.400 -0.096 0.000 0.799 115 E CB -0.060 29.608 29.700 -0.053 0.000 0.755 115 E HN 0.168 nan 8.360 nan 0.000 0.447 116 V N 0.690 120.623 119.914 0.033 0.000 2.379 116 V HA -0.228 3.892 4.120 0.000 0.000 0.245 116 V C 2.084 178.233 176.094 0.092 0.000 1.044 116 V CA 1.940 64.279 62.300 0.065 0.000 1.036 116 V CB -0.714 31.168 31.823 0.099 0.000 0.664 116 V HN 0.440 nan 8.190 nan 0.000 0.453 117 Y N 1.587 121.855 120.300 -0.053 0.000 2.040 117 Y HA -0.325 4.225 4.550 0.000 0.000 0.275 117 Y C 2.365 178.178 175.900 -0.145 0.000 1.171 117 Y CA 1.913 59.965 58.100 -0.080 0.000 1.123 117 Y CB -0.607 37.800 38.460 -0.089 0.000 0.963 117 Y HN 0.267 nan 8.280 nan 0.000 0.493 118 G N -0.618 108.263 108.800 0.135 0.000 2.422 118 G HA2 -0.281 3.679 3.960 0.000 0.000 0.218 118 G HA3 -0.281 3.679 3.960 0.000 0.000 0.218 118 G C 1.375 176.241 174.900 -0.056 0.000 1.146 118 G CA 0.957 46.031 45.100 -0.042 0.000 0.769 118 G HN 0.514 nan 8.290 nan 0.000 0.547 119 Q N 0.055 119.838 119.800 -0.029 0.000 2.096 119 Q HA -0.086 4.254 4.340 0.000 0.000 0.204 119 Q C 2.642 178.633 176.000 -0.014 0.000 0.982 119 Q CA 1.394 57.186 55.803 -0.018 0.000 0.850 119 Q CB -0.119 28.619 28.738 0.001 0.000 0.901 119 Q HN 0.432 nan 8.270 nan 0.000 0.422 120 K N 0.312 120.703 120.400 -0.016 0.000 2.074 120 K HA -0.174 4.146 4.320 0.000 0.000 0.209 120 K C 2.017 178.587 176.600 -0.050 0.000 1.048 120 K CA 1.327 57.597 56.287 -0.028 0.000 0.926 120 K CB -0.200 32.270 32.500 -0.050 0.000 0.713 120 K HN 0.262 nan 8.250 nan 0.000 0.444 121 I N 0.718 121.212 120.570 -0.126 0.000 2.252 121 I HA -0.246 3.924 4.170 0.000 0.000 0.245 121 I C 2.269 178.340 176.117 -0.077 0.000 1.102 121 I CA 0.908 62.074 61.300 -0.222 0.000 1.385 121 I CB -0.358 37.335 38.000 -0.511 0.000 1.064 121 I HN -0.057 nan 8.210 nan 0.000 0.414 122 V N 1.400 121.285 119.914 -0.049 0.000 2.287 122 V HA -0.348 3.772 4.120 0.000 0.000 0.248 122 V C 2.595 178.722 176.094 0.055 0.000 1.053 122 V CA 2.211 64.516 62.300 0.007 0.000 1.027 122 V CB -0.751 31.073 31.823 0.001 0.000 0.646 122 V HN 0.461 nan 8.190 nan 0.000 0.447 123 K N 0.323 120.754 120.400 0.052 0.000 2.097 123 K HA -0.175 4.145 4.320 0.000 0.000 0.206 123 K C 2.049 178.738 176.600 0.149 0.000 1.049 123 K CA 2.032 58.373 56.287 0.090 0.000 0.933 123 K CB -0.143 32.395 32.500 0.064 0.000 0.717 123 K HN 0.510 nan 8.250 nan 0.000 0.442 124 V N -1.306 118.689 119.914 0.135 0.000 2.488 124 V HA -0.146 3.974 4.120 0.000 0.000 0.246 124 V C 2.255 178.504 176.094 0.258 0.000 1.046 124 V CA 1.296 63.716 62.300 0.199 0.000 1.053 124 V CB -0.590 31.351 31.823 0.196 0.000 0.679 124 V HN 0.226 nan 8.190 nan 0.000 0.458 125 M N 0.519 120.240 119.600 0.201 0.000 2.159 125 M HA -0.131 4.349 4.480 0.000 0.000 0.263 125 M C 1.940 178.343 176.300 0.172 0.000 1.063 125 M CA 2.125 57.539 55.300 0.192 0.000 1.110 125 M CB -0.646 32.045 32.600 0.152 0.000 1.374 125 M HN 0.334 nan 8.290 nan 0.000 0.411 126 D N -0.050 120.445 120.400 0.158 0.000 2.183 126 D HA -0.100 4.540 4.640 0.000 0.000 0.203 126 D C 1.636 178.012 176.300 0.127 0.000 0.969 126 D CA 1.000 55.075 54.000 0.126 0.000 0.842 126 D CB -0.242 40.622 40.800 0.107 0.000 0.957 126 D HN 0.259 nan 8.370 nan 0.000 0.484 127 F N 1.540 121.522 119.950 0.054 0.000 2.102 127 F HA -0.136 4.391 4.527 0.000 0.000 0.298 127 F C 2.197 178.016 175.800 0.032 0.000 1.105 127 F CA 1.590 59.612 58.000 0.036 0.000 1.239 127 F CB -0.078 38.952 39.000 0.051 0.000 0.991 127 F HN -0.061 nan 8.300 nan 0.000 0.474 128 A N 0.202 123.185 122.820 0.271 0.000 1.873 128 A HA -0.153 4.167 4.320 0.000 0.000 0.215 128 A C 2.061 179.676 177.584 0.051 0.000 1.186 128 A CA 1.596 53.739 52.037 0.175 0.000 0.616 128 A CB -1.292 17.837 19.000 0.215 0.000 0.823 128 A HN 0.483 nan 8.150 nan 0.000 0.442 129 L N 0.217 121.480 121.223 0.068 0.000 2.042 129 L HA -0.174 4.166 4.340 0.000 0.000 0.210 129 L C 2.310 179.168 176.870 -0.020 0.000 1.076 129 L CA 2.763 57.630 54.840 0.046 0.000 0.749 129 L CB -0.525 41.577 42.059 0.073 0.000 0.893 129 L HN 0.503 nan 8.230 nan 0.000 0.432 130 K N -1.286 119.066 120.400 -0.079 0.000 2.057 130 K HA -0.131 4.189 4.320 0.000 0.000 0.206 130 K C 1.673 178.157 176.600 -0.193 0.000 1.050 130 K CA 1.747 57.950 56.287 -0.140 0.000 0.935 130 K CB -0.184 32.203 32.500 -0.189 0.000 0.715 130 K HN 0.574 nan 8.250 nan 0.000 0.439 131 T N -3.414 110.968 114.554 -0.286 0.000 3.086 131 T HA 0.219 4.569 4.350 0.000 0.000 0.250 131 T C 1.032 175.658 174.700 -0.124 0.000 1.074 131 T CA 0.270 62.213 62.100 -0.262 0.000 0.988 131 T CB 0.416 69.030 68.868 -0.423 0.000 0.988 131 T HN 0.369 nan 8.240 nan 0.000 0.530 132 G N 1.327 110.085 108.800 -0.069 0.000 2.212 132 G HA2 -0.222 3.738 3.960 0.000 0.000 0.255 132 G HA3 -0.222 3.738 3.960 0.000 0.000 0.255 132 G C 0.218 175.126 174.900 0.013 0.000 1.062 132 G CA -0.082 45.012 45.100 -0.011 0.000 0.815 132 G HN 1.308 nan 8.290 nan 0.000 0.497 133 C N -2.202 117.117 119.300 0.031 0.000 2.486 133 C HA 0.982 5.442 4.460 0.000 0.000 0.348 133 C C -1.927 173.102 174.990 0.065 0.000 1.203 133 C CA -2.710 56.338 59.018 0.050 0.000 1.911 133 C CB 1.894 29.684 27.740 0.083 0.000 2.340 133 C HN 0.230 nan 8.230 nan 0.000 0.511 134 P HA 0.323 nan 4.420 nan 0.000 0.272 134 P C -0.823 176.523 177.300 0.077 0.000 1.230 134 P CA -0.089 63.028 63.100 0.028 0.000 0.788 134 P CB 0.458 32.141 31.700 -0.028 0.000 0.949 135 V N 2.908 122.876 119.914 0.090 0.000 2.459 135 V HA 0.280 4.400 4.120 0.000 0.000 0.295 135 V C 0.030 176.154 176.094 0.050 0.000 1.029 135 V CA -0.556 61.812 62.300 0.113 0.000 0.874 135 V CB 1.927 33.859 31.823 0.182 0.000 0.985 135 V HN 0.199 nan 8.190 nan 0.000 0.438 136 V N 3.800 123.704 119.914 -0.016 0.000 2.384 136 V HA 0.696 4.816 4.120 0.000 0.000 0.287 136 V C 0.642 176.527 176.094 -0.348 0.000 1.020 136 V CA -0.301 61.935 62.300 -0.107 0.000 0.850 136 V CB 1.687 33.456 31.823 -0.089 0.000 0.987 136 V HN 0.970 nan 8.190 nan 0.000 0.436 137 G N 5.117 113.670 108.800 -0.412 0.000 2.437 137 G HA2 0.691 4.651 3.960 0.000 0.000 0.315 137 G HA3 0.691 4.651 3.960 0.000 0.000 0.315 137 G C -0.837 173.744 174.900 -0.532 0.000 1.210 137 G CA -0.408 44.107 45.100 -0.975 0.000 0.943 137 G HN 0.633 nan 8.290 nan 0.000 0.471 138 I N 2.705 122.923 120.570 -0.586 0.000 2.328 138 I HA 0.200 4.370 4.170 0.000 0.000 0.287 138 I C -0.267 175.859 176.117 0.015 0.000 1.012 138 I CA -0.596 60.595 61.300 -0.182 0.000 1.195 138 I CB 1.178 39.089 38.000 -0.150 0.000 1.350 138 I HN 0.359 nan 8.210 nan 0.000 0.464 139 N N 5.918 124.670 118.700 0.087 0.000 2.469 139 N HA 0.207 4.947 4.740 0.000 0.000 0.253 139 N C -1.005 174.600 175.510 0.159 0.000 0.970 139 N CA -0.325 52.838 53.050 0.187 0.000 0.940 139 N CB 1.780 40.381 38.487 0.191 0.000 1.128 139 N HN 0.500 nan 8.380 nan 0.000 0.503 140 D N 1.343 121.869 120.400 0.209 0.000 2.621 140 D HA 0.123 4.763 4.640 0.000 0.000 0.274 140 D C -1.359 175.156 176.300 0.358 0.000 1.215 140 D CA -0.197 53.938 54.000 0.225 0.000 0.810 140 D CB 0.358 41.262 40.800 0.174 0.000 1.248 140 D HN 0.319 nan 8.370 nan 0.000 0.517 141 S N 0.180 116.070 115.700 0.318 0.000 2.540 141 S HA 0.611 5.081 4.470 0.000 0.000 0.275 141 S C 1.084 175.799 174.600 0.191 0.000 1.123 141 S CA -0.213 58.146 58.200 0.264 0.000 0.907 141 S CB 1.411 64.740 63.200 0.215 0.000 1.081 141 S HN 0.192 nan 8.310 nan 0.000 0.476 142 G N 1.760 110.628 108.800 0.113 0.000 2.511 142 G HA2 0.487 4.447 3.960 0.000 0.000 0.217 142 G HA3 0.487 4.447 3.960 0.000 0.000 0.217 142 G C 0.884 175.799 174.900 0.025 0.000 1.133 142 G CA 0.557 45.706 45.100 0.081 0.000 0.792 142 G HN 1.601 nan 8.290 nan 0.000 0.539 143 G N -1.048 107.757 108.800 0.008 0.000 2.366 143 G HA2 0.489 4.449 3.960 0.000 0.000 0.190 143 G HA3 0.489 4.449 3.960 0.000 0.000 0.190 143 G C -0.836 174.078 174.900 0.023 0.000 1.299 143 G CA -0.087 45.018 45.100 0.009 0.000 1.056 143 G HN 1.013 nan 8.290 nan 0.000 0.468 144 A N 0.001 122.839 122.820 0.029 0.000 2.301 144 A HA 0.735 5.055 4.320 0.000 0.000 0.298 144 A C 0.693 178.188 177.584 -0.148 0.000 1.185 144 A CA -0.073 51.956 52.037 -0.014 0.000 0.830 144 A CB 0.550 19.610 19.000 0.098 0.000 1.112 144 A HN 0.804 nan 8.150 nan 0.000 0.508 145 R N 3.339 123.677 120.500 -0.269 0.000 2.824 145 R HA 0.029 4.369 4.340 0.000 0.000 0.240 145 R C 0.580 176.713 176.300 -0.278 0.000 1.548 145 R CA -0.368 55.525 56.100 -0.344 0.000 1.119 145 R CB -0.496 29.514 30.300 -0.484 0.000 1.189 145 R HN 0.749 nan 8.270 nan 0.000 0.596 146 I N 2.481 122.913 120.570 -0.229 0.000 2.145 146 I HA -0.397 3.773 4.170 0.000 0.000 0.244 146 I C 2.330 178.322 176.117 -0.209 0.000 1.075 146 I CA 1.419 62.609 61.300 -0.183 0.000 1.332 146 I CB -1.262 36.636 38.000 -0.171 0.000 1.033 146 I HN 0.610 nan 8.210 nan 0.000 0.410 147 Q N 1.311 120.892 119.800 -0.366 0.000 2.217 147 Q HA -0.243 4.097 4.340 0.000 0.000 0.209 147 Q C 1.640 177.627 176.000 -0.022 0.000 0.988 147 Q CA 1.687 57.246 55.803 -0.405 0.000 0.878 147 Q CB -1.027 27.354 28.738 -0.595 0.000 0.909 147 Q HN 0.634 nan 8.270 nan 0.000 0.424 148 E N 0.858 120.981 120.200 -0.128 0.000 2.358 148 E HA 0.105 4.455 4.350 0.000 0.000 0.195 148 E C 0.968 177.548 176.600 -0.034 0.000 1.010 148 E CA 0.362 56.710 56.400 -0.086 0.000 0.856 148 E CB 0.005 29.599 29.700 -0.176 0.000 0.795 148 E HN 0.528 nan 8.360 nan 0.000 0.504 149 G N 0.790 109.575 108.800 -0.026 0.000 2.528 149 G HA2 -0.385 3.575 3.960 0.000 0.000 0.262 149 G HA3 -0.385 3.575 3.960 0.000 0.000 0.262 149 G C 1.037 175.925 174.900 -0.020 0.000 1.200 149 G CA 0.556 45.655 45.100 -0.002 0.000 0.951 149 G HN 0.397 nan 8.290 nan 0.000 0.566 150 V N -1.497 118.413 119.914 -0.006 0.000 2.568 150 V HA 0.167 4.287 4.120 0.000 0.000 0.253 150 V C 3.163 179.240 176.094 -0.028 0.000 1.072 150 V CA 2.920 65.216 62.300 -0.007 0.000 1.084 150 V CB -1.561 30.263 31.823 0.001 0.000 0.676 150 V HN 2.373 nan 8.190 nan 0.000 0.469 151 A N 0.267 123.062 122.820 -0.042 0.000 2.076 151 A HA -0.199 4.121 4.320 0.000 0.000 0.220 151 A C 2.538 180.054 177.584 -0.114 0.000 1.160 151 A CA 2.228 54.226 52.037 -0.064 0.000 0.653 151 A CB -0.821 18.145 19.000 -0.056 0.000 0.801 151 A HN 0.686 nan 8.150 nan 0.000 0.455 152 S N -0.645 114.977 115.700 -0.130 0.000 2.377 152 S HA 0.002 4.472 4.470 0.000 0.000 0.223 152 S C 1.867 176.369 174.600 -0.163 0.000 1.030 152 S CA 0.989 59.059 58.200 -0.216 0.000 0.970 152 S CB -0.411 62.679 63.200 -0.184 0.000 0.830 152 S HN 0.525 nan 8.310 nan 0.000 0.473 153 L N 0.932 122.148 121.223 -0.012 0.000 2.131 153 L HA 0.024 4.364 4.340 0.000 0.000 0.210 153 L C 2.773 179.643 176.870 0.001 0.000 1.092 153 L CA 1.152 56.041 54.840 0.081 0.000 0.759 153 L CB -0.995 41.103 42.059 0.065 0.000 0.903 153 L HN 0.474 nan 8.230 nan 0.000 0.435 154 G N -0.323 108.446 108.800 -0.052 0.000 2.402 154 G HA2 -0.187 3.773 3.960 0.000 0.000 0.216 154 G HA3 -0.187 3.773 3.960 0.000 0.000 0.216 154 G C 1.807 176.634 174.900 -0.121 0.000 1.162 154 G CA 0.742 45.803 45.100 -0.065 0.000 0.777 154 G HN 0.440 nan 8.290 nan 0.000 0.539 155 A N 0.315 123.020 122.820 -0.192 0.000 1.877 155 A HA -0.015 4.305 4.320 0.000 0.000 0.216 155 A C 2.215 179.600 177.584 -0.333 0.000 1.186 155 A CA 1.598 53.474 52.037 -0.267 0.000 0.620 155 A CB -0.743 18.040 19.000 -0.362 0.000 0.822 155 A HN 0.350 nan 8.150 nan 0.000 0.443 156 Y N 0.290 120.380 120.300 -0.349 0.000 2.151 156 Y HA -0.166 4.384 4.550 0.000 0.000 0.284 156 Y C 2.812 178.151 175.900 -0.935 0.000 1.166 156 Y CA 0.946 58.655 58.100 -0.653 0.000 1.163 156 Y CB -1.171 36.932 38.460 -0.595 0.000 0.974 156 Y HN 0.313 nan 8.280 nan 0.000 0.511 157 G N -0.247 108.337 108.800 -0.359 0.000 2.446 157 G HA2 -0.226 3.734 3.960 0.000 0.000 0.217 157 G HA3 -0.226 3.734 3.960 0.000 0.000 0.217 157 G C 1.556 176.383 174.900 -0.121 0.000 1.168 157 G CA 1.029 46.009 45.100 -0.200 0.000 0.771 157 G HN 0.298 nan 8.290 nan 0.000 0.551 158 E N 0.307 120.439 120.200 -0.114 0.000 2.209 158 E HA -0.079 4.271 4.350 0.000 0.000 0.196 158 E C 2.466 179.038 176.600 -0.047 0.000 0.993 158 E CA 0.589 56.953 56.400 -0.059 0.000 0.819 158 E CB -0.056 29.609 29.700 -0.057 0.000 0.745 158 E HN 0.568 nan 8.360 nan 0.000 0.477 159 I N -0.144 120.365 120.570 -0.102 0.000 2.429 159 I HA -0.164 4.006 4.170 0.000 0.000 0.247 159 I C 1.989 178.178 176.117 0.120 0.000 1.099 159 I CA 0.347 61.632 61.300 -0.026 0.000 1.422 159 I CB -0.248 37.709 38.000 -0.072 0.000 1.112 159 I HN -0.077 nan 8.210 nan 0.000 0.430 160 F N 1.355 121.330 119.950 0.041 0.000 2.087 160 F HA -0.260 4.267 4.527 0.000 0.000 0.299 160 F C 2.671 178.430 175.800 -0.068 0.000 1.100 160 F CA 1.396 59.401 58.000 0.008 0.000 1.226 160 F CB -1.252 37.750 39.000 0.004 0.000 0.983 160 F HN 0.032 nan 8.300 nan 0.000 0.479 161 R N 0.361 120.918 120.500 0.095 0.000 2.105 161 R HA -0.158 4.182 4.340 0.000 0.000 0.239 161 R C 2.366 178.512 176.300 -0.257 0.000 1.135 161 R CA 1.472 57.485 56.100 -0.144 0.000 0.967 161 R CB -0.141 30.089 30.300 -0.118 0.000 0.861 161 R HN 0.218 nan 8.270 nan 0.000 0.442 162 R N -0.119 120.354 120.500 -0.044 0.000 2.090 162 R HA -0.002 4.338 4.340 0.000 0.000 0.228 162 R C 2.031 178.372 176.300 0.068 0.000 1.110 162 R CA 1.261 57.380 56.100 0.032 0.000 0.973 162 R CB -0.177 30.174 30.300 0.084 0.000 0.869 162 R HN 0.275 nan 8.270 nan 0.000 0.440 163 N N -0.192 118.564 118.700 0.093 0.000 2.205 163 N HA -0.124 4.616 4.740 0.000 0.000 0.186 163 N C 1.483 177.032 175.510 0.065 0.000 1.015 163 N CA 1.679 54.798 53.050 0.115 0.000 0.862 163 N CB -0.280 38.301 38.487 0.157 0.000 0.986 163 N HN 0.199 nan 8.380 nan 0.000 0.429 164 T N 0.298 114.847 114.554 -0.008 0.000 2.851 164 T HA -0.033 4.317 4.350 0.000 0.000 0.262 164 T C 1.467 176.194 174.700 0.045 0.000 1.043 164 T CA 0.840 62.916 62.100 -0.039 0.000 1.140 164 T CB -0.168 68.624 68.868 -0.127 0.000 0.872 164 T HN 0.287 nan 8.240 nan 0.000 0.446 165 H N 1.302 120.403 119.070 0.052 0.000 2.389 165 H HA 0.267 4.823 4.556 0.000 0.000 0.299 165 H C 2.409 177.767 175.328 0.050 0.000 1.081 165 H CA 0.926 57.000 56.048 0.044 0.000 1.345 165 H CB -0.633 29.157 29.762 0.046 0.000 1.393 165 H HN 0.388 nan 8.280 nan 0.000 0.520 166 A N 0.391 123.324 122.820 0.188 0.000 2.119 166 A HA -0.025 4.295 4.320 0.000 0.000 0.216 166 A C 1.518 179.186 177.584 0.139 0.000 1.152 166 A CA 0.411 52.540 52.037 0.154 0.000 0.708 166 A CB -0.275 18.819 19.000 0.157 0.000 0.805 166 A HN 0.253 nan 8.150 nan 0.000 0.460 167 S N 0.060 115.827 115.700 0.111 0.000 2.555 167 S HA 0.355 4.825 4.470 0.000 0.000 0.293 167 S C 1.352 175.966 174.600 0.024 0.000 1.248 167 S CA 0.858 59.106 58.200 0.081 0.000 1.096 167 S CB -0.441 62.783 63.200 0.040 0.000 0.881 167 S HN 1.869 nan 8.310 nan 0.000 0.498 168 G N 3.011 111.813 108.800 0.003 0.000 2.162 168 G HA2 -0.238 3.722 3.960 0.000 0.000 0.260 168 G HA3 -0.238 3.722 3.960 0.000 0.000 0.260 168 G C 0.552 175.273 174.900 -0.299 0.000 0.976 168 G CA 0.357 45.250 45.100 -0.344 0.000 0.655 168 G HN 0.853 nan 8.290 nan 0.000 0.533 169 V N 0.396 120.333 119.914 0.037 0.000 2.627 169 V HA 0.395 4.515 4.120 0.000 0.000 0.239 169 V C 1.318 177.598 176.094 0.309 0.000 1.077 169 V CA 1.661 64.025 62.300 0.107 0.000 1.103 169 V CB 0.057 31.933 31.823 0.088 0.000 0.802 169 V HN 0.677 nan 8.190 nan 0.000 0.482 170 I N -1.499 119.276 120.570 0.342 0.000 2.509 170 I HA 0.603 4.773 4.170 0.000 0.000 0.293 170 I C -3.043 173.228 176.117 0.256 0.000 1.020 170 I CA -2.726 58.746 61.300 0.285 0.000 1.088 170 I CB 1.936 40.029 38.000 0.155 0.000 1.267 170 I HN -0.033 nan 8.210 nan 0.000 0.430 171 P HA 0.147 nan 4.420 nan 0.000 0.268 171 P C -1.362 175.948 177.300 0.016 0.000 1.205 171 P CA 0.103 63.051 63.100 -0.254 0.000 0.771 171 P CB 0.450 31.866 31.700 -0.474 0.000 0.858 172 Q N 2.161 122.015 119.800 0.091 0.000 2.330 172 Q HA 0.601 4.941 4.340 0.000 0.000 0.269 172 Q C -0.677 175.402 176.000 0.131 0.000 1.022 172 Q CA -0.407 55.467 55.803 0.119 0.000 0.796 172 Q CB 1.938 30.767 28.738 0.152 0.000 1.271 172 Q HN 0.395 nan 8.270 nan 0.000 0.450 173 I N 1.202 121.840 120.570 0.113 0.000 2.436 173 I HA 0.347 4.517 4.170 0.000 0.000 0.289 173 I C -0.449 175.726 176.117 0.097 0.000 1.010 173 I CA -0.662 60.721 61.300 0.139 0.000 1.098 173 I CB 2.187 40.254 38.000 0.112 0.000 1.266 173 I HN 0.454 nan 8.210 nan 0.000 0.434 174 S N 6.277 122.057 115.700 0.134 0.000 2.438 174 S HA 0.439 4.909 4.470 0.000 0.000 0.316 174 S C -0.599 174.057 174.600 0.094 0.000 1.084 174 S CA -0.416 57.844 58.200 0.100 0.000 1.107 174 S CB 0.988 64.269 63.200 0.135 0.000 0.981 174 S HN 0.355 nan 8.310 nan 0.000 0.466 175 L N 6.962 128.206 121.223 0.036 0.000 2.264 175 L HA 0.538 4.878 4.340 0.000 0.000 0.287 175 L C -0.504 176.385 176.870 0.031 0.000 1.039 175 L CA -0.519 54.344 54.840 0.037 0.000 0.829 175 L CB 0.725 42.789 42.059 0.009 0.000 1.211 175 L HN 0.438 nan 8.230 nan 0.000 0.427 176 V N 4.270 124.212 119.914 0.047 0.000 2.370 176 V HA 0.641 4.761 4.120 0.000 0.000 0.279 176 V C 0.095 176.203 176.094 0.023 0.000 1.029 176 V CA -0.338 61.990 62.300 0.047 0.000 0.870 176 V CB 1.303 33.160 31.823 0.057 0.000 0.984 176 V HN 0.574 nan 8.190 nan 0.000 0.451 177 V N 2.084 122.010 119.914 0.020 0.000 2.711 177 V HA 0.963 5.083 4.120 0.000 0.000 0.335 177 V C 0.495 176.577 176.094 -0.020 0.000 1.235 177 V CA 0.432 62.727 62.300 -0.009 0.000 1.250 177 V CB -0.627 31.189 31.823 -0.012 0.000 1.469 177 V HN 1.591 nan 8.190 nan 0.000 0.646 178 G N 0.862 109.665 108.800 0.004 0.000 2.336 178 G HA2 0.460 4.420 3.960 0.000 0.000 0.286 178 G HA3 0.460 4.420 3.960 0.000 0.000 0.286 178 G C -3.603 171.364 174.900 0.112 0.000 1.269 178 G CA -0.300 44.808 45.100 0.012 0.000 0.873 178 G HN 0.192 nan 8.290 nan 0.000 0.494 179 P HA 0.467 nan 4.420 nan 0.000 0.282 179 P C -0.788 176.560 177.300 0.080 0.000 1.249 179 P CA -0.280 62.918 63.100 0.164 0.000 0.806 179 P CB 1.804 33.607 31.700 0.170 0.000 0.984 180 C N 3.518 122.806 119.300 -0.021 0.000 2.321 180 C HA 0.799 5.259 4.460 0.000 0.000 0.323 180 C C -0.272 174.493 174.990 -0.375 0.000 1.191 180 C CA -0.079 58.883 59.018 -0.095 0.000 1.455 180 C CB -0.879 26.841 27.740 -0.034 0.000 2.083 180 C HN 0.668 nan 8.230 nan 0.000 0.442 181 A N 5.131 127.703 122.820 -0.415 0.000 2.365 181 A HA 0.937 5.257 4.320 0.000 0.000 0.318 181 A C 0.541 177.881 177.584 -0.407 0.000 1.091 181 A CA 0.625 52.227 52.037 -0.726 0.000 0.763 181 A CB 0.826 19.427 19.000 -0.665 0.000 1.248 181 A HN 2.648 nan 8.150 nan 0.000 0.442 182 G N 1.182 109.753 108.800 -0.382 0.000 2.569 182 G HA2 0.102 4.062 3.960 0.000 0.000 0.259 182 G HA3 0.102 4.062 3.960 0.000 0.000 0.259 182 G C 1.248 175.955 174.900 -0.322 0.000 1.263 182 G CA 0.509 45.464 45.100 -0.241 0.000 0.928 182 G HN 2.098 nan 8.290 nan 0.000 0.572 183 G N -0.094 108.531 108.800 -0.292 0.000 2.532 183 G HA2 0.156 4.116 3.960 0.000 0.000 0.222 183 G HA3 0.156 4.116 3.960 0.000 0.000 0.222 183 G C 2.155 176.844 174.900 -0.353 0.000 1.102 183 G CA 2.926 47.876 45.100 -0.250 0.000 0.742 183 G HN 2.057 nan 8.290 nan 0.000 0.577 184 A N 0.083 122.521 122.820 -0.636 0.000 1.997 184 A HA -0.072 4.248 4.320 0.000 0.000 0.221 184 A C 2.518 180.066 177.584 -0.059 0.000 1.172 184 A CA 1.838 53.682 52.037 -0.322 0.000 0.645 184 A CB -0.702 18.255 19.000 -0.072 0.000 0.813 184 A HN 0.574 nan 8.150 nan 0.000 0.454 185 V N -1.668 118.102 119.914 -0.239 0.000 3.078 185 V HA -0.158 3.962 4.120 0.000 0.000 0.265 185 V C 1.830 177.785 176.094 -0.231 0.000 1.122 185 V CA 1.516 63.650 62.300 -0.277 0.000 1.141 185 V CB -0.809 30.744 31.823 -0.449 0.000 0.735 185 V HN 0.666 nan 8.190 nan 0.000 0.498 186 Y N -0.936 119.322 120.300 -0.070 0.000 2.510 186 Y HA 0.125 4.675 4.550 0.000 0.000 0.273 186 Y C 2.677 178.484 175.900 -0.154 0.000 1.119 186 Y CA 0.913 58.873 58.100 -0.233 0.000 1.286 186 Y CB -0.396 37.722 38.460 -0.570 0.000 1.061 186 Y HN 0.262 nan 8.280 nan 0.000 0.542 187 S N 0.508 116.382 115.700 0.290 0.000 2.343 187 S HA -0.098 4.372 4.470 0.000 0.000 0.219 187 S C -0.515 174.211 174.600 0.210 0.000 1.033 187 S CA 1.394 59.806 58.200 0.353 0.000 1.014 187 S CB -1.052 62.435 63.200 0.479 0.000 0.915 187 S HN 0.177 nan 8.310 nan 0.000 0.435 188 P HA -0.026 nan 4.420 nan 0.000 0.217 188 P C 1.317 178.671 177.300 0.091 0.000 1.148 188 P CA 1.466 64.644 63.100 0.131 0.000 0.828 188 P CB -0.224 31.530 31.700 0.090 0.000 0.783 189 A N -0.567 122.287 122.820 0.056 0.000 1.940 189 A HA -0.181 4.139 4.320 0.000 0.000 0.219 189 A C 2.143 179.748 177.584 0.036 0.000 1.176 189 A CA 1.488 53.544 52.037 0.032 0.000 0.631 189 A CB -1.498 17.533 19.000 0.052 0.000 0.814 189 A HN 0.155 nan 8.150 nan 0.000 0.446 190 I N 0.435 121.029 120.570 0.040 0.000 2.617 190 I HA -0.076 4.094 4.170 0.000 0.000 0.256 190 I C 1.519 177.671 176.117 0.058 0.000 1.167 190 I CA 0.754 62.070 61.300 0.027 0.000 1.469 190 I CB -0.844 37.163 38.000 0.012 0.000 1.098 190 I HN 0.437 nan 8.210 nan 0.000 0.436 191 T N -1.371 113.240 114.554 0.095 0.000 2.855 191 T HA -0.038 4.312 4.350 0.000 0.000 0.314 191 T C 0.895 175.622 174.700 0.045 0.000 1.077 191 T CA -0.272 61.889 62.100 0.103 0.000 1.095 191 T CB 0.911 69.862 68.868 0.139 0.000 0.987 191 T HN 0.158 nan 8.240 nan 0.000 0.546 192 D N 0.377 120.776 120.400 -0.002 0.000 2.183 192 D HA 0.062 4.702 4.640 0.000 0.000 0.203 192 D C -0.016 175.865 176.300 -0.698 0.000 0.969 192 D CA 1.190 55.033 54.000 -0.262 0.000 0.842 192 D CB 0.052 40.735 40.800 -0.195 0.000 0.957 192 D HN 0.494 nan 8.370 nan 0.000 0.484 193 F N 0.021 119.926 119.950 -0.075 0.000 2.578 193 F HA 0.309 4.837 4.527 0.000 0.000 0.311 193 F C -0.098 175.764 175.800 0.103 0.000 1.094 193 F CA -0.761 57.081 58.000 -0.264 0.000 0.923 193 F CB 2.337 41.259 39.000 -0.130 0.000 1.230 193 F HN -0.464 nan 8.300 nan 0.000 0.450 194 T N 2.403 117.313 114.554 0.593 0.000 2.841 194 T HA 0.638 4.988 4.350 0.000 0.000 0.285 194 T C -1.079 173.811 174.700 0.317 0.000 0.991 194 T CA -0.654 61.674 62.100 0.380 0.000 0.966 194 T CB 1.649 70.673 68.868 0.261 0.000 0.962 194 T HN 0.281 nan 8.240 nan 0.000 0.438 195 V N 4.789 124.820 119.914 0.194 0.000 2.444 195 V HA 0.515 4.635 4.120 0.000 0.000 0.294 195 V C -0.151 175.976 176.094 0.055 0.000 1.022 195 V CA -0.702 61.670 62.300 0.120 0.000 0.850 195 V CB 1.313 33.220 31.823 0.140 0.000 0.992 195 V HN 0.857 nan 8.190 nan 0.000 0.426 196 M N 3.696 123.296 119.600 0.000 0.000 2.753 196 M HA 0.700 5.180 4.480 0.000 0.000 0.299 196 M C -0.975 175.282 176.300 -0.072 0.000 1.219 196 M CA -1.026 54.256 55.300 -0.030 0.000 0.900 196 M CB 2.307 34.889 32.600 -0.030 0.000 1.628 196 M HN 0.314 nan 8.290 nan 0.000 0.502 197 V N 0.866 120.731 119.914 -0.081 0.000 2.444 197 V HA 0.081 4.201 4.120 0.000 0.000 0.294 197 V C 0.317 176.344 176.094 -0.112 0.000 1.022 197 V CA -0.361 61.886 62.300 -0.088 0.000 0.850 197 V CB 1.380 33.167 31.823 -0.061 0.000 0.992 197 V HN 0.966 nan 8.190 nan 0.000 0.426 198 D N 3.787 124.119 120.400 -0.112 0.000 3.691 198 D HA -0.321 4.319 4.640 0.000 0.000 0.228 198 D C 1.644 177.880 176.300 -0.106 0.000 1.236 198 D CA 2.723 56.661 54.000 -0.103 0.000 0.888 198 D CB 0.315 41.068 40.800 -0.078 0.000 0.969 198 D HN 0.680 nan 8.370 nan 0.000 0.560 199 Q N -2.579 117.162 119.800 -0.098 0.000 2.288 199 Q HA 0.239 4.579 4.340 0.000 0.000 0.256 199 Q C 1.079 177.007 176.000 -0.119 0.000 0.835 199 Q CA 0.956 56.706 55.803 -0.088 0.000 0.958 199 Q CB 0.924 29.643 28.738 -0.032 0.000 1.125 199 Q HN 0.404 nan 8.270 nan 0.000 0.513 200 T N -2.338 112.141 114.554 -0.124 0.000 3.206 200 T HA 0.432 4.782 4.350 0.000 0.000 0.253 200 T C 0.266 174.875 174.700 -0.153 0.000 1.042 200 T CA -0.270 61.775 62.100 -0.092 0.000 0.931 200 T CB 0.317 69.145 68.868 -0.067 0.000 1.029 200 T HN -0.116 nan 8.240 nan 0.000 0.564 201 S N 0.923 116.395 115.700 -0.380 0.000 2.538 201 S HA 0.677 5.147 4.470 0.000 0.000 0.288 201 S C -1.438 172.774 174.600 -0.647 0.000 1.108 201 S CA -0.778 57.232 58.200 -0.318 0.000 0.971 201 S CB 1.186 64.295 63.200 -0.152 0.000 1.041 201 S HN 0.651 nan 8.310 nan 0.000 0.483 202 H N 0.845 119.976 119.070 0.100 0.000 3.038 202 H HA 0.586 5.142 4.556 0.000 0.000 0.362 202 H C -0.950 174.527 175.328 0.248 0.000 1.167 202 H CA -0.712 55.460 56.048 0.206 0.000 1.197 202 H CB 1.094 31.002 29.762 0.244 0.000 1.840 202 H HN 0.416 nan 8.280 nan 0.000 0.540 203 M N 3.161 123.044 119.600 0.473 0.000 2.326 203 M HA 0.599 5.079 4.480 0.000 0.000 0.306 203 M C -1.598 174.997 176.300 0.490 0.000 1.054 203 M CA -0.803 54.663 55.300 0.276 0.000 0.922 203 M CB 2.086 34.719 32.600 0.056 0.000 1.632 203 M HN 0.579 nan 8.290 nan 0.000 0.436 204 F N 0.205 120.241 119.950 0.144 0.000 2.622 204 F HA 0.509 5.036 4.527 0.000 0.000 0.318 204 F C -0.190 175.614 175.800 0.006 0.000 1.135 204 F CA -1.104 56.965 58.000 0.114 0.000 1.015 204 F CB 0.632 39.724 39.000 0.153 0.000 1.275 204 F HN 0.450 nan 8.300 nan 0.000 0.457 205 I N 1.938 122.534 120.570 0.044 0.000 2.439 205 I HA 0.054 4.224 4.170 0.000 0.000 0.251 205 I C 0.838 176.986 176.117 0.051 0.000 1.139 205 I CA 1.675 62.921 61.300 -0.090 0.000 1.438 205 I CB -0.172 37.742 38.000 -0.142 0.000 1.085 205 I HN 0.843 nan 8.210 nan 0.000 0.427 206 T N -1.878 112.798 114.554 0.203 0.000 2.900 206 T HA 0.745 5.095 4.350 0.000 0.000 0.295 206 T C 0.100 174.999 174.700 0.332 0.000 1.044 206 T CA -0.323 61.911 62.100 0.223 0.000 0.995 206 T CB 1.349 70.285 68.868 0.113 0.000 1.072 206 T HN 0.237 nan 8.240 nan 0.000 0.473 207 G N 1.804 110.765 108.800 0.268 0.000 2.528 207 G HA2 0.556 4.516 3.960 0.000 0.000 0.289 207 G HA3 0.556 4.516 3.960 0.000 0.000 0.289 207 G C -1.733 173.119 174.900 -0.079 0.000 1.192 207 G CA -1.837 43.328 45.100 0.108 0.000 0.921 207 G HN 0.564 nan 8.290 nan 0.000 0.512 208 P HA -0.044 nan 4.420 nan 0.000 0.219 208 P C 1.279 178.463 177.300 -0.193 0.000 1.150 208 P CA 1.258 64.162 63.100 -0.326 0.000 0.814 208 P CB 0.159 31.473 31.700 -0.645 0.000 0.787 209 D N 0.090 120.404 120.400 -0.142 0.000 2.084 209 D HA -0.105 4.535 4.640 0.000 0.000 0.194 209 D C 1.868 178.142 176.300 -0.044 0.000 0.990 209 D CA 1.109 55.062 54.000 -0.078 0.000 0.826 209 D CB -1.154 39.622 40.800 -0.041 0.000 0.971 209 D HN 0.027 nan 8.370 nan 0.000 0.453 210 V N 1.429 121.331 119.914 -0.019 0.000 2.490 210 V HA -0.209 3.911 4.120 0.000 0.000 0.250 210 V C 2.638 178.724 176.094 -0.013 0.000 1.061 210 V CA 0.911 63.210 62.300 -0.002 0.000 1.064 210 V CB -0.376 31.462 31.823 0.025 0.000 0.670 210 V HN 0.198 nan 8.190 nan 0.000 0.461 211 I N 0.394 120.944 120.570 -0.033 0.000 2.163 211 I HA -0.166 4.004 4.170 0.000 0.000 0.240 211 I C 2.491 178.582 176.117 -0.043 0.000 1.081 211 I CA 1.682 62.960 61.300 -0.038 0.000 1.353 211 I CB -1.066 36.897 38.000 -0.062 0.000 1.054 211 I HN 0.333 nan 8.210 nan 0.000 0.407 212 K N 1.410 121.774 120.400 -0.060 0.000 2.103 212 K HA -0.134 4.186 4.320 0.000 0.000 0.207 212 K C 1.647 178.226 176.600 -0.035 0.000 1.048 212 K CA 1.681 57.936 56.287 -0.053 0.000 0.930 212 K CB -0.554 31.906 32.500 -0.066 0.000 0.716 212 K HN 0.217 nan 8.250 nan 0.000 0.444 213 T N -0.410 114.127 114.554 -0.029 0.000 3.215 213 T HA 0.060 4.410 4.350 0.000 0.000 0.254 213 T C 1.080 175.773 174.700 -0.011 0.000 1.149 213 T CA 0.756 62.846 62.100 -0.018 0.000 1.042 213 T CB 0.147 69.007 68.868 -0.013 0.000 0.966 213 T HN -0.002 nan 8.240 nan 0.000 0.534 214 V N -0.333 119.574 119.914 -0.012 0.000 3.350 214 V HA 0.182 4.302 4.120 0.000 0.000 0.246 214 V C 2.068 178.158 176.094 -0.007 0.000 1.363 214 V CA 0.735 63.032 62.300 -0.006 0.000 1.162 214 V CB 0.888 32.711 31.823 -0.000 0.000 0.947 214 V HN 0.438 nan 8.190 nan 0.000 0.454 215 T N -1.327 113.220 114.554 -0.012 0.000 3.016 215 T HA 0.312 4.662 4.350 0.000 0.000 0.271 215 T C 1.416 176.107 174.700 -0.016 0.000 0.968 215 T CA 1.397 63.490 62.100 -0.011 0.000 0.891 215 T CB 0.464 69.326 68.868 -0.010 0.000 1.149 215 T HN 0.924 nan 8.240 nan 0.000 0.524 216 G N 2.431 111.218 108.800 -0.021 0.000 2.189 216 G HA2 -0.255 3.705 3.960 0.000 0.000 0.267 216 G HA3 -0.255 3.705 3.960 0.000 0.000 0.267 216 G C -0.115 174.766 174.900 -0.031 0.000 0.975 216 G CA 0.594 45.679 45.100 -0.025 0.000 0.644 216 G HN 0.875 nan 8.290 nan 0.000 0.537 217 E N 1.227 121.406 120.200 -0.034 0.000 2.259 217 E HA 0.369 4.719 4.350 0.000 0.000 0.281 217 E C -1.070 175.496 176.600 -0.058 0.000 1.027 217 E CA -0.649 55.727 56.400 -0.040 0.000 0.838 217 E CB 1.114 30.793 29.700 -0.034 0.000 1.066 217 E HN 0.307 nan 8.360 nan 0.000 0.401 218 D N 2.679 123.042 120.400 -0.060 0.000 2.264 218 D HA 0.339 4.979 4.640 0.000 0.000 0.250 218 D C -0.805 175.439 176.300 -0.092 0.000 1.113 218 D CA -0.237 53.715 54.000 -0.080 0.000 0.871 218 D CB 2.006 42.765 40.800 -0.069 0.000 1.167 218 D HN 0.194 nan 8.370 nan 0.000 0.447 219 V N 1.172 121.007 119.914 -0.132 0.000 3.077 219 V HA 0.534 4.654 4.120 0.000 0.000 0.299 219 V C -0.175 175.782 176.094 -0.227 0.000 1.276 219 V CA -0.615 61.598 62.300 -0.145 0.000 0.993 219 V CB 2.351 34.100 31.823 -0.124 0.000 1.076 219 V HN 0.607 nan 8.190 nan 0.000 0.434 220 G N 2.118 110.798 108.800 -0.200 0.000 2.462 220 G HA2 0.502 4.462 3.960 0.000 0.000 0.319 220 G HA3 0.502 4.462 3.960 0.000 0.000 0.319 220 G C 0.227 174.970 174.900 -0.263 0.000 1.171 220 G CA -0.293 44.648 45.100 -0.265 0.000 0.920 220 G HN 0.566 nan 8.290 nan 0.000 0.499 221 F N 0.131 119.959 119.950 -0.203 0.000 2.043 221 F HA -0.149 4.378 4.527 0.000 0.000 0.297 221 F C 2.647 178.407 175.800 -0.067 0.000 1.118 221 F CA 1.998 59.835 58.000 -0.270 0.000 1.202 221 F CB -0.420 38.297 39.000 -0.472 0.000 0.965 221 F HN 0.562 nan 8.300 nan 0.000 0.482 222 E N 0.562 120.893 120.200 0.218 0.000 2.086 222 E HA -0.280 4.070 4.350 0.000 0.000 0.200 222 E C 2.052 178.701 176.600 0.082 0.000 1.012 222 E CA 2.012 58.541 56.400 0.216 0.000 0.812 222 E CB -0.447 29.340 29.700 0.146 0.000 0.743 222 E HN 0.534 nan 8.360 nan 0.000 0.453 223 E N -1.104 119.107 120.200 0.019 0.000 2.216 223 E HA -0.114 4.236 4.350 0.000 0.000 0.192 223 E C 1.930 178.503 176.600 -0.046 0.000 0.988 223 E CA 0.633 57.019 56.400 -0.023 0.000 0.834 223 E CB -0.051 29.625 29.700 -0.039 0.000 0.772 223 E HN 0.311 nan 8.360 nan 0.000 0.479 224 L N -0.809 120.385 121.223 -0.048 0.000 2.049 224 L HA 0.156 4.496 4.340 0.000 0.000 0.203 224 L C 1.386 178.207 176.870 -0.082 0.000 1.074 224 L CA 2.074 56.880 54.840 -0.056 0.000 0.749 224 L CB 0.296 42.304 42.059 -0.085 0.000 0.907 224 L HN 0.101 nan 8.230 nan 0.000 0.439 225 G N -0.891 107.880 108.800 -0.049 0.000 5.414 225 G HA2 0.404 4.364 3.960 0.000 0.000 0.202 225 G HA3 0.404 4.364 3.960 0.000 0.000 0.202 225 G C 0.167 175.056 174.900 -0.018 0.000 0.727 225 G CA 0.018 44.962 45.100 -0.261 0.000 0.670 225 G HN 0.585 nan 8.290 nan 0.000 0.442 226 G N -0.515 108.298 108.800 0.022 0.000 2.572 226 G HA2 0.556 4.516 3.960 0.000 0.000 0.261 226 G HA3 0.556 4.516 3.960 0.000 0.000 0.261 226 G C 1.350 176.203 174.900 -0.078 0.000 1.197 226 G CA 0.397 45.500 45.100 0.004 0.000 0.870 226 G HN 0.755 nan 8.290 nan 0.000 0.548 227 A N 0.707 123.459 122.820 -0.113 0.000 1.881 227 A HA -0.244 4.076 4.320 0.000 0.000 0.219 227 A C 2.363 179.920 177.584 -0.044 0.000 1.215 227 A CA 2.395 54.392 52.037 -0.066 0.000 0.648 227 A CB -0.686 18.246 19.000 -0.113 0.000 0.832 227 A HN 0.743 nan 8.150 nan 0.000 0.455 228 R N -1.384 119.081 120.500 -0.059 0.000 2.080 228 R HA -0.140 4.200 4.340 0.000 0.000 0.236 228 R C 2.329 178.616 176.300 -0.021 0.000 1.137 228 R CA 2.246 58.322 56.100 -0.040 0.000 0.943 228 R CB -0.891 29.388 30.300 -0.036 0.000 0.846 228 R HN 0.508 nan 8.270 nan 0.000 0.431 229 T N 0.485 115.007 114.554 -0.054 0.000 2.597 229 T HA -0.208 4.142 4.350 0.000 0.000 0.267 229 T C 1.577 176.258 174.700 -0.032 0.000 1.053 229 T CA 1.832 63.886 62.100 -0.076 0.000 1.165 229 T CB -0.503 68.254 68.868 -0.184 0.000 0.863 229 T HN 0.414 nan 8.240 nan 0.000 0.427 230 H N 0.909 119.980 119.070 0.001 0.000 2.521 230 H HA 0.103 4.659 4.556 0.000 0.000 0.286 230 H C 2.205 177.484 175.328 -0.082 0.000 1.034 230 H CA 0.585 56.609 56.048 -0.040 0.000 1.278 230 H CB -0.208 29.529 29.762 -0.043 0.000 1.386 230 H HN 0.394 nan 8.280 nan 0.000 0.567 231 N N -0.213 118.525 118.700 0.062 0.000 2.405 231 N HA -0.042 4.698 4.740 0.000 0.000 0.175 231 N C 1.394 176.978 175.510 0.123 0.000 1.051 231 N CA 0.845 53.910 53.050 0.025 0.000 0.899 231 N CB 0.523 38.998 38.487 -0.020 0.000 1.000 231 N HN 0.309 nan 8.380 nan 0.000 0.451 232 S N -1.003 114.785 115.700 0.148 0.000 2.514 232 S HA 0.042 4.512 4.470 0.000 0.000 0.223 232 S C 1.713 176.487 174.600 0.289 0.000 1.046 232 S CA 0.446 58.764 58.200 0.198 0.000 0.914 232 S CB 0.364 63.620 63.200 0.093 0.000 0.807 232 S HN 0.295 nan 8.310 nan 0.000 0.497 233 T N -0.560 114.162 114.554 0.278 0.000 3.010 233 T HA 0.180 4.530 4.350 0.000 0.000 0.252 233 T C 1.796 176.712 174.700 0.360 0.000 0.963 233 T CA 0.581 62.842 62.100 0.268 0.000 0.952 233 T CB -0.291 68.650 68.868 0.123 0.000 1.182 233 T HN 0.417 nan 8.240 nan 0.000 0.495 234 S N 1.013 116.852 115.700 0.233 0.000 2.486 234 S HA 0.453 4.923 4.470 0.000 0.000 0.220 234 S C 2.074 176.587 174.600 -0.144 0.000 1.011 234 S CA 0.629 58.913 58.200 0.140 0.000 0.921 234 S CB -0.507 62.834 63.200 0.234 0.000 0.785 234 S HN 1.408 nan 8.310 nan 0.000 0.517 235 G N 0.655 109.024 108.800 -0.717 0.000 2.148 235 G HA2 -0.283 3.677 3.960 0.000 0.000 0.254 235 G HA3 -0.283 3.677 3.960 0.000 0.000 0.254 235 G C 0.647 175.091 174.900 -0.760 0.000 0.981 235 G CA 0.407 44.539 45.100 -1.614 0.000 0.670 235 G HN 0.545 nan 8.290 nan 0.000 0.528 236 V N 0.673 120.308 119.914 -0.465 0.000 2.278 236 V HA 0.429 4.549 4.120 0.000 0.000 0.238 236 V C 2.269 178.103 176.094 -0.433 0.000 1.039 236 V CA 1.964 64.030 62.300 -0.390 0.000 1.017 236 V CB -0.845 30.719 31.823 -0.431 0.000 0.657 236 V HN 1.145 nan 8.190 nan 0.000 0.462 237 A N -0.744 121.894 122.820 -0.303 0.000 2.386 237 A HA 0.283 4.603 4.320 0.000 0.000 0.248 237 A C 0.621 178.030 177.584 -0.293 0.000 1.082 237 A CA 0.080 52.003 52.037 -0.191 0.000 0.789 237 A CB -0.109 18.863 19.000 -0.046 0.000 1.025 237 A HN 0.661 nan 8.150 nan 0.000 0.490 238 H N -1.232 117.884 119.070 0.076 0.000 2.654 238 H HA 0.239 4.795 4.556 0.000 0.000 0.264 238 H C 0.006 175.402 175.328 0.113 0.000 0.954 238 H CA 1.239 57.377 56.048 0.150 0.000 1.199 238 H CB 0.286 30.268 29.762 0.367 0.000 1.446 238 H HN 0.813 nan 8.280 nan 0.000 0.516 239 H N -0.284 118.766 119.070 -0.034 0.000 3.046 239 H HA 0.403 4.959 4.556 0.000 0.000 0.361 239 H C -1.522 173.681 175.328 -0.208 0.000 1.235 239 H CA -1.041 54.853 56.048 -0.258 0.000 1.146 239 H CB 1.351 30.629 29.762 -0.805 0.000 1.859 239 H HN 0.062 nan 8.280 nan 0.000 0.548 240 M N 3.945 123.003 119.600 -0.904 0.000 2.134 240 M HA 0.748 5.228 4.480 0.000 0.000 0.310 240 M C -1.427 174.430 176.300 -0.739 0.000 0.966 240 M CA -0.608 54.336 55.300 -0.594 0.000 0.922 240 M CB 1.052 33.454 32.600 -0.329 0.000 1.537 240 M HN 0.695 nan 8.290 nan 0.000 0.424 241 A N 3.154 125.757 122.820 -0.362 0.000 2.294 241 A HA 0.715 5.035 4.320 0.000 0.000 0.330 241 A C 0.897 178.429 177.584 -0.087 0.000 1.133 241 A CA -0.288 51.665 52.037 -0.140 0.000 0.836 241 A CB 0.932 19.948 19.000 0.027 0.000 1.190 241 A HN 1.061 nan 8.150 nan 0.000 0.492 242 G N -0.053 108.729 108.800 -0.030 0.000 2.448 242 G HA2 0.230 4.190 3.960 0.000 0.000 0.218 242 G HA3 0.230 4.190 3.960 0.000 0.000 0.218 242 G C 0.374 175.264 174.900 -0.017 0.000 1.135 242 G CA 1.258 46.343 45.100 -0.025 0.000 0.784 242 G HN 1.008 nan 8.290 nan 0.000 0.543 243 D N -2.226 118.173 120.400 -0.002 0.000 2.851 243 D HA 0.070 4.710 4.640 0.000 0.000 0.339 243 D C 0.316 176.624 176.300 0.012 0.000 1.347 243 D CA -0.501 53.499 54.000 -0.001 0.000 0.888 243 D CB 0.099 40.900 40.800 0.002 0.000 1.431 243 D HN 0.021 nan 8.370 nan 0.000 0.509 244 E N 0.194 120.400 120.200 0.010 0.000 2.072 244 E HA -0.071 4.279 4.350 0.000 0.000 0.190 244 E C 1.757 178.373 176.600 0.027 0.000 0.982 244 E CA 0.824 57.233 56.400 0.015 0.000 0.803 244 E CB 0.144 29.847 29.700 0.005 0.000 0.755 244 E HN 0.317 nan 8.360 nan 0.000 0.453 245 K N 0.898 121.312 120.400 0.023 0.000 2.074 245 K HA -0.211 4.109 4.320 0.000 0.000 0.209 245 K C 1.699 178.327 176.600 0.047 0.000 1.048 245 K CA 1.887 58.189 56.287 0.025 0.000 0.926 245 K CB -0.125 32.385 32.500 0.018 0.000 0.713 245 K HN 0.072 nan 8.250 nan 0.000 0.444 246 D N 0.358 120.795 120.400 0.063 0.000 2.084 246 D HA -0.107 4.533 4.640 0.000 0.000 0.196 246 D C 1.875 178.267 176.300 0.154 0.000 0.985 246 D CA 1.411 55.476 54.000 0.107 0.000 0.826 246 D CB -0.302 40.564 40.800 0.109 0.000 0.978 246 D HN 0.202 nan 8.370 nan 0.000 0.456 247 A N 0.587 123.482 122.820 0.124 0.000 1.892 247 A HA -0.217 4.103 4.320 0.000 0.000 0.218 247 A C 2.447 180.125 177.584 0.156 0.000 1.188 247 A CA 1.750 53.875 52.037 0.146 0.000 0.631 247 A CB -1.047 17.998 19.000 0.074 0.000 0.822 247 A HN 0.155 nan 8.150 nan 0.000 0.447 248 V N 0.074 120.041 119.914 0.089 0.000 2.287 248 V HA -0.274 3.846 4.120 0.000 0.000 0.248 248 V C 2.609 178.743 176.094 0.066 0.000 1.053 248 V CA 2.525 64.860 62.300 0.058 0.000 1.027 248 V CB -0.802 31.031 31.823 0.017 0.000 0.646 248 V HN 0.776 nan 8.190 nan 0.000 0.447 249 E N -0.390 119.857 120.200 0.079 0.000 2.153 249 E HA -0.263 4.087 4.350 0.000 0.000 0.194 249 E C 1.983 178.629 176.600 0.076 0.000 0.988 249 E CA 1.495 57.928 56.400 0.055 0.000 0.811 249 E CB -0.499 29.237 29.700 0.061 0.000 0.746 249 E HN 0.714 nan 8.360 nan 0.000 0.466 250 Y N -0.101 120.229 120.300 0.049 0.000 2.314 250 Y HA -0.114 4.436 4.550 0.000 0.000 0.293 250 Y C 2.081 178.013 175.900 0.052 0.000 1.129 250 Y CA 1.489 59.639 58.100 0.084 0.000 1.201 250 Y CB 0.109 38.602 38.460 0.055 0.000 0.999 250 Y HN 0.124 nan 8.280 nan 0.000 0.541 251 V N -1.679 118.340 119.914 0.175 0.000 2.488 251 V HA -0.131 3.989 4.120 0.000 0.000 0.246 251 V C 1.991 178.037 176.094 -0.081 0.000 1.046 251 V CA 1.720 64.060 62.300 0.067 0.000 1.053 251 V CB -0.540 31.332 31.823 0.081 0.000 0.679 251 V HN 0.225 nan 8.190 nan 0.000 0.458 252 K N -0.183 120.164 120.400 -0.089 0.000 2.032 252 K HA -0.169 4.151 4.320 0.000 0.000 0.209 252 K C 2.506 178.946 176.600 -0.267 0.000 1.048 252 K CA 2.059 58.258 56.287 -0.146 0.000 0.927 252 K CB -0.342 32.090 32.500 -0.112 0.000 0.712 252 K HN 0.441 nan 8.250 nan 0.000 0.441 253 Q N 0.541 120.130 119.800 -0.351 0.000 2.077 253 Q HA -0.188 4.152 4.340 0.000 0.000 0.206 253 Q C 2.195 177.758 176.000 -0.729 0.000 0.989 253 Q CA 1.239 56.664 55.803 -0.631 0.000 0.853 253 Q CB -0.403 27.816 28.738 -0.866 0.000 0.907 253 Q HN 0.205 nan 8.270 nan 0.000 0.418 254 L N 0.607 121.480 121.223 -0.583 0.000 2.017 254 L HA -0.149 4.191 4.340 0.000 0.000 0.208 254 L C 2.283 178.920 176.870 -0.387 0.000 1.073 254 L CA 1.494 56.062 54.840 -0.454 0.000 0.745 254 L CB -0.962 40.925 42.059 -0.286 0.000 0.894 254 L HN 0.192 nan 8.230 nan 0.000 0.432 255 L N -0.757 120.289 121.223 -0.295 0.000 2.187 255 L HA -0.207 4.133 4.340 0.000 0.000 0.213 255 L C 2.531 179.231 176.870 -0.284 0.000 1.100 255 L CA 1.322 56.014 54.840 -0.247 0.000 0.765 255 L CB -0.789 41.169 42.059 -0.170 0.000 0.904 255 L HN 0.482 nan 8.230 nan 0.000 0.437 256 S N -1.322 114.150 115.700 -0.379 0.000 2.453 256 S HA -0.143 4.327 4.470 0.000 0.000 0.231 256 S C 1.651 175.955 174.600 -0.494 0.000 1.005 256 S CA 0.563 58.510 58.200 -0.422 0.000 0.949 256 S CB -0.409 62.463 63.200 -0.546 0.000 0.774 256 S HN 0.447 nan 8.310 nan 0.000 0.510 257 Y N 1.126 121.173 120.300 -0.421 0.000 2.482 257 Y HA 0.519 5.069 4.550 0.000 0.000 0.270 257 Y C 0.666 176.340 175.900 -0.378 0.000 1.152 257 Y CA -0.343 57.495 58.100 -0.437 0.000 1.292 257 Y CB 0.102 38.100 38.460 -0.770 0.000 1.070 257 Y HN 0.198 nan 8.280 nan 0.000 0.528 258 L N 2.206 123.283 121.223 -0.242 0.000 2.334 258 L HA 0.435 4.775 4.340 0.000 0.000 0.273 258 L C -2.293 174.482 176.870 -0.159 0.000 1.013 258 L CA -2.331 52.379 54.840 -0.217 0.000 0.816 258 L CB 1.840 43.704 42.059 -0.326 0.000 1.278 258 L HN -0.213 nan 8.230 nan 0.000 0.431 259 P HA 0.109 nan 4.420 nan 0.000 0.274 259 P C 0.059 177.310 177.300 -0.083 0.000 1.246 259 P CA -0.314 62.752 63.100 -0.055 0.000 0.795 259 P CB 1.049 32.771 31.700 0.038 0.000 1.006 260 S N 0.471 116.142 115.700 -0.048 0.000 2.399 260 S HA -0.118 4.352 4.470 0.000 0.000 0.231 260 S C 0.923 175.527 174.600 0.007 0.000 1.022 260 S CA 1.563 59.743 58.200 -0.033 0.000 0.983 260 S CB -0.687 62.502 63.200 -0.018 0.000 0.803 260 S HN 0.798 nan 8.310 nan 0.000 0.480 261 N N -0.528 118.207 118.700 0.059 0.000 3.179 261 N HA 0.161 4.901 4.740 0.000 0.000 0.250 261 N C -0.446 175.187 175.510 0.205 0.000 1.507 261 N CA -0.571 52.568 53.050 0.149 0.000 0.883 261 N CB 0.059 38.603 38.487 0.094 0.000 1.435 261 N HN -0.081 nan 8.380 nan 0.000 0.532 262 N N -0.151 118.679 118.700 0.218 0.000 2.521 262 N HA -0.012 4.728 4.740 0.000 0.000 0.188 262 N C 0.261 175.812 175.510 0.069 0.000 1.146 262 N CA 0.620 53.758 53.050 0.146 0.000 0.893 262 N CB -0.271 38.215 38.487 -0.001 0.000 0.975 262 N HN 0.678 nan 8.380 nan 0.000 0.451 263 L N -0.427 120.830 121.223 0.057 0.000 2.592 263 L HA 0.213 4.553 4.340 0.000 0.000 0.227 263 L C 0.018 176.903 176.870 0.025 0.000 1.127 263 L CA -0.030 54.827 54.840 0.028 0.000 0.884 263 L CB -0.080 41.988 42.059 0.015 0.000 1.065 263 L HN 0.029 nan 8.230 nan 0.000 0.457 264 S N -0.605 115.118 115.700 0.038 0.000 2.566 264 S HA 0.341 4.811 4.470 0.000 0.000 0.298 264 S C -0.378 174.241 174.600 0.032 0.000 1.083 264 S CA -0.927 57.285 58.200 0.021 0.000 0.978 264 S CB 1.937 65.140 63.200 0.005 0.000 1.073 264 S HN 0.197 nan 8.310 nan 0.000 0.491 265 E N 0.696 120.904 120.200 0.013 0.000 2.392 265 E HA 0.291 4.641 4.350 0.000 0.000 0.256 265 E C -2.729 173.871 176.600 0.000 0.000 1.145 265 E CA -1.713 54.697 56.400 0.017 0.000 0.929 265 E CB -0.629 29.074 29.700 0.005 0.000 0.998 265 E HN 0.143 nan 8.360 nan 0.000 0.442 266 P HA 0.054 nan 4.420 nan 0.000 0.267 266 P C -2.338 174.913 177.300 -0.081 0.000 1.200 266 P CA -0.826 62.264 63.100 -0.016 0.000 0.772 266 P CB -0.251 31.468 31.700 0.033 0.000 0.855 267 P HA 0.165 nan 4.420 nan 0.000 0.271 267 P C -1.080 175.997 177.300 -0.372 0.000 1.220 267 P CA 0.175 63.114 63.100 -0.268 0.000 0.768 267 P CB 0.522 32.054 31.700 -0.279 0.000 0.848 268 A N 3.631 126.173 122.820 -0.464 0.000 2.350 268 A HA 0.704 5.024 4.320 0.000 0.000 0.324 268 A C -1.109 176.091 177.584 -0.639 0.000 1.118 268 A CA -0.570 51.236 52.037 -0.384 0.000 0.783 268 A CB 0.625 19.524 19.000 -0.169 0.000 1.236 268 A HN 0.373 nan 8.150 nan 0.000 0.457 269 F N 2.391 122.328 119.950 -0.021 0.000 2.451 269 F HA 0.361 4.888 4.527 0.000 0.000 0.367 269 F C -2.332 173.466 175.800 -0.004 0.000 1.100 269 F CA -2.287 55.701 58.000 -0.021 0.000 1.171 269 F CB 1.279 40.257 39.000 -0.036 0.000 1.405 269 F HN 0.272 nan 8.300 nan 0.000 0.482 270 P HA 0.079 nan 4.420 nan 0.000 0.266 270 P C -0.635 176.713 177.300 0.080 0.000 1.215 270 P CA 0.073 63.215 63.100 0.071 0.000 0.763 270 P CB 0.475 32.198 31.700 0.038 0.000 0.806 271 E N 1.379 121.623 120.200 0.075 0.000 2.275 271 E HA 0.320 4.670 4.350 0.000 0.000 0.270 271 E C -1.042 175.589 176.600 0.053 0.000 0.882 271 E CA -1.019 55.417 56.400 0.061 0.000 0.758 271 E CB 1.695 31.433 29.700 0.063 0.000 1.195 271 E HN 0.283 nan 8.360 nan 0.000 0.419 272 E N 2.344 122.569 120.200 0.041 0.000 2.324 272 E HA 0.320 4.670 4.350 0.000 0.000 0.271 272 E C -0.396 176.227 176.600 0.037 0.000 1.028 272 E CA -0.243 56.179 56.400 0.037 0.000 0.890 272 E CB 0.850 30.567 29.700 0.028 0.000 1.004 272 E HN 0.611 nan 8.360 nan 0.000 0.431 273 A N 4.281 127.125 122.820 0.040 0.000 2.425 273 A HA 0.003 4.323 4.320 0.000 0.000 0.242 273 A C 0.056 177.658 177.584 0.030 0.000 1.077 273 A CA -0.303 51.758 52.037 0.041 0.000 0.781 273 A CB 0.426 19.454 19.000 0.046 0.000 1.020 273 A HN 0.738 nan 8.150 nan 0.000 0.494 274 D N 1.564 121.981 120.400 0.029 0.000 2.359 274 D HA 0.152 4.792 4.640 0.000 0.000 0.250 274 D C 0.430 176.742 176.300 0.019 0.000 1.264 274 D CA 0.186 54.199 54.000 0.021 0.000 0.911 274 D CB 0.116 40.928 40.800 0.020 0.000 1.056 274 D HN 0.418 nan 8.370 nan 0.000 0.499 275 L N 2.479 123.710 121.223 0.013 0.000 2.682 275 L HA 0.211 4.551 4.340 0.000 0.000 0.240 275 L C 0.696 177.565 176.870 -0.001 0.000 1.178 275 L CA -0.166 54.677 54.840 0.006 0.000 0.970 275 L CB -0.329 41.731 42.059 0.002 0.000 1.179 275 L HN 0.301 nan 8.230 nan 0.000 0.435 276 A N -0.563 122.258 122.820 0.003 0.000 2.380 276 A HA 0.601 4.921 4.320 0.000 0.000 0.315 276 A C -0.313 177.273 177.584 0.003 0.000 1.101 276 A CA -0.493 51.544 52.037 -0.001 0.000 0.771 276 A CB 1.396 20.396 19.000 0.000 0.000 1.287 276 A HN -0.104 nan 8.150 nan 0.000 0.436 277 V N 2.820 122.733 119.914 -0.001 0.000 2.434 277 V HA 0.235 4.355 4.120 0.000 0.000 0.281 277 V C 1.290 177.386 176.094 0.004 0.000 1.005 277 V CA 0.567 62.868 62.300 0.001 0.000 1.089 277 V CB -0.578 31.241 31.823 -0.006 0.000 0.978 277 V HN 1.054 nan 8.190 nan 0.000 0.474 278 T N 0.726 115.286 114.554 0.010 0.000 2.788 278 T HA 0.166 4.516 4.350 0.000 0.000 0.280 278 T C 0.860 175.565 174.700 0.008 0.000 0.984 278 T CA -0.466 61.639 62.100 0.009 0.000 0.972 278 T CB 1.031 69.905 68.868 0.010 0.000 1.039 278 T HN 0.527 nan 8.240 nan 0.000 0.530 279 D N -0.241 120.162 120.400 0.005 0.000 2.144 279 D HA -0.080 4.560 4.640 0.000 0.000 0.200 279 D C 1.890 178.200 176.300 0.017 0.000 0.978 279 D CA 1.135 55.139 54.000 0.007 0.000 0.833 279 D CB -0.202 40.600 40.800 0.003 0.000 0.961 279 D HN 0.790 nan 8.370 nan 0.000 0.470 280 E N 0.533 120.739 120.200 0.009 0.000 2.077 280 E HA -0.177 4.173 4.350 0.000 0.000 0.193 280 E C 1.345 178.007 176.600 0.103 0.000 0.989 280 E CA 0.928 57.337 56.400 0.014 0.000 0.800 280 E CB 0.180 29.828 29.700 -0.086 0.000 0.746 280 E HN 0.176 nan 8.360 nan 0.000 0.452 281 D N 0.267 120.709 120.400 0.069 0.000 2.133 281 D HA -0.203 4.437 4.640 0.000 0.000 0.195 281 D C 1.820 178.138 176.300 0.030 0.000 0.997 281 D CA 1.379 55.421 54.000 0.069 0.000 0.840 281 D CB -0.343 40.480 40.800 0.038 0.000 0.947 281 D HN 0.257 nan 8.370 nan 0.000 0.452 282 A N 1.234 124.063 122.820 0.015 0.000 1.908 282 A HA -0.242 4.078 4.320 0.000 0.000 0.218 282 A C 1.998 179.570 177.584 -0.020 0.000 1.181 282 A CA 1.662 53.691 52.037 -0.014 0.000 0.627 282 A CB -0.700 18.295 19.000 -0.008 0.000 0.818 282 A HN 0.267 nan 8.150 nan 0.000 0.445 283 E N -0.471 119.745 120.200 0.026 0.000 2.333 283 E HA -0.170 4.180 4.350 0.000 0.000 0.200 283 E C 1.689 178.261 176.600 -0.047 0.000 1.010 283 E CA 0.761 57.176 56.400 0.025 0.000 0.841 283 E CB -0.306 29.466 29.700 0.121 0.000 0.757 283 E HN 0.655 nan 8.360 nan 0.000 0.508 284 L N 0.853 122.027 121.223 -0.083 0.000 2.156 284 L HA -0.145 4.195 4.340 0.000 0.000 0.208 284 L C 1.432 178.116 176.870 -0.311 0.000 1.095 284 L CA 0.786 55.499 54.840 -0.212 0.000 0.770 284 L CB 0.044 41.962 42.059 -0.235 0.000 0.914 284 L HN 0.029 nan 8.230 nan 0.000 0.439 285 D N -1.078 119.176 120.400 -0.244 0.000 2.392 285 D HA -0.101 4.539 4.640 0.000 0.000 0.228 285 D C 1.640 177.842 176.300 -0.163 0.000 1.003 285 D CA 1.413 55.271 54.000 -0.237 0.000 0.917 285 D CB 0.065 40.766 40.800 -0.166 0.000 0.890 285 D HN 0.428 nan 8.370 nan 0.000 0.532 286 T N -3.160 111.314 114.554 -0.134 0.000 3.058 286 T HA 0.214 4.564 4.350 0.000 0.000 0.278 286 T C 1.656 176.305 174.700 -0.086 0.000 0.974 286 T CA -0.385 61.663 62.100 -0.087 0.000 0.893 286 T CB -0.177 68.660 68.868 -0.051 0.000 1.138 286 T HN 0.063 nan 8.240 nan 0.000 0.529 287 I N 1.710 122.202 120.570 -0.130 0.000 2.546 287 I HA 0.127 4.297 4.170 0.000 0.000 0.255 287 I C -0.018 175.986 176.117 -0.188 0.000 1.163 287 I CA 0.640 61.856 61.300 -0.140 0.000 1.457 287 I CB 0.326 38.218 38.000 -0.180 0.000 1.092 287 I HN 0.038 nan 8.210 nan 0.000 0.434 288 V N 4.212 124.013 119.914 -0.189 0.000 2.387 288 V HA 0.162 4.282 4.120 0.000 0.000 0.260 288 V C -1.790 174.286 176.094 -0.031 0.000 1.054 288 V CA -1.272 60.934 62.300 -0.155 0.000 0.967 288 V CB -0.282 31.501 31.823 -0.067 0.000 1.036 288 V HN 0.200 nan 8.190 nan 0.000 0.481 289 P HA -0.011 nan 4.420 nan 0.000 0.272 289 P C 0.567 177.895 177.300 0.046 0.000 1.239 289 P CA 0.046 63.174 63.100 0.047 0.000 0.807 289 P CB 0.649 32.398 31.700 0.083 0.000 0.951 290 D N -1.540 118.885 120.400 0.042 0.000 2.240 290 D HA -0.026 4.614 4.640 0.000 0.000 0.206 290 D C 0.723 177.055 176.300 0.053 0.000 0.963 290 D CA 0.895 54.920 54.000 0.042 0.000 0.863 290 D CB -0.082 40.737 40.800 0.032 0.000 0.973 290 D HN 0.232 nan 8.370 nan 0.000 0.501 291 S N -0.038 115.694 115.700 0.054 0.000 2.545 291 S HA 0.386 4.856 4.470 0.000 0.000 0.275 291 S C 1.198 175.843 174.600 0.074 0.000 1.299 291 S CA -0.184 58.050 58.200 0.058 0.000 1.048 291 S CB 1.620 64.848 63.200 0.048 0.000 0.938 291 S HN 0.130 nan 8.310 nan 0.000 0.496 292 A N 4.879 127.746 122.820 0.078 0.000 1.972 292 A HA -0.110 4.210 4.320 0.000 0.000 0.219 292 A C 1.866 179.502 177.584 0.086 0.000 1.169 292 A CA 1.977 54.071 52.037 0.095 0.000 0.635 292 A CB -0.972 18.092 19.000 0.106 0.000 0.810 292 A HN 0.940 nan 8.150 nan 0.000 0.446 293 N N -0.004 118.737 118.700 0.068 0.000 2.409 293 N HA -0.043 4.697 4.740 0.000 0.000 0.179 293 N C 0.242 175.779 175.510 0.044 0.000 1.032 293 N CA 0.490 53.571 53.050 0.052 0.000 0.898 293 N CB -0.035 38.476 38.487 0.041 0.000 0.971 293 N HN 0.732 nan 8.380 nan 0.000 0.441 294 Q N 1.822 121.656 119.800 0.056 0.000 2.295 294 Q HA 0.267 4.607 4.340 0.000 0.000 0.259 294 Q C -2.563 173.485 176.000 0.079 0.000 0.976 294 Q CA -1.783 54.054 55.803 0.056 0.000 0.923 294 Q CB 0.588 29.361 28.738 0.060 0.000 1.185 294 Q HN 0.075 nan 8.270 nan 0.000 0.410 295 P HA 0.094 nan 4.420 nan 0.000 0.282 295 P C -1.395 175.938 177.300 0.056 0.000 1.249 295 P CA -0.208 62.885 63.100 -0.012 0.000 0.806 295 P CB 0.405 32.063 31.700 -0.070 0.000 0.984 296 Y N -1.030 119.272 120.300 0.005 0.000 2.650 296 Y HA 0.675 5.226 4.550 0.000 0.000 0.331 296 Y C -0.515 175.389 175.900 0.006 0.000 1.082 296 Y CA -1.518 56.587 58.100 0.007 0.000 1.171 296 Y CB 0.536 39.005 38.460 0.015 0.000 1.326 296 Y HN 0.145 nan 8.280 nan 0.000 0.513 297 D N 1.441 121.947 120.400 0.177 0.000 2.359 297 D HA 0.155 4.795 4.640 0.000 0.000 0.230 297 D C 0.424 176.814 176.300 0.149 0.000 1.118 297 D CA -0.427 53.633 54.000 0.101 0.000 0.844 297 D CB 1.527 42.404 40.800 0.128 0.000 1.059 297 D HN 0.733 nan 8.370 nan 0.000 0.493 298 M N 3.822 123.411 119.600 -0.018 0.000 2.296 298 M HA -0.085 4.395 4.480 0.000 0.000 0.265 298 M C 1.479 177.675 176.300 -0.175 0.000 1.064 298 M CA 1.399 56.653 55.300 -0.077 0.000 1.109 298 M CB -0.228 32.240 32.600 -0.219 0.000 1.396 298 M HN 0.496 nan 8.290 nan 0.000 0.430 299 H N -1.076 117.935 119.070 -0.098 0.000 2.357 299 H HA -0.150 4.406 4.556 0.000 0.000 0.296 299 H C 2.076 177.370 175.328 -0.058 0.000 1.108 299 H CA 1.977 57.978 56.048 -0.078 0.000 1.273 299 H CB -0.582 29.212 29.762 0.053 0.000 1.367 299 H HN 0.420 nan 8.280 nan 0.000 0.498 300 S N 0.343 116.113 115.700 0.117 0.000 2.348 300 S HA -0.145 4.325 4.470 0.000 0.000 0.221 300 S C 2.466 177.024 174.600 -0.071 0.000 1.033 300 S CA 1.267 59.512 58.200 0.075 0.000 1.010 300 S CB -0.736 62.455 63.200 -0.015 0.000 0.891 300 S HN 0.384 nan 8.310 nan 0.000 0.442 301 V N 2.344 122.160 119.914 -0.164 0.000 2.380 301 V HA -0.191 3.929 4.120 0.000 0.000 0.251 301 V C 1.779 177.723 176.094 -0.250 0.000 1.063 301 V CA 1.759 63.955 62.300 -0.173 0.000 1.055 301 V CB -0.676 31.110 31.823 -0.062 0.000 0.657 301 V HN 0.522 nan 8.190 nan 0.000 0.455 302 I N 0.164 120.461 120.570 -0.455 0.000 2.202 302 I HA -0.210 3.960 4.170 0.000 0.000 0.242 302 I C 2.728 178.733 176.117 -0.187 0.000 1.091 302 I CA 2.230 63.173 61.300 -0.595 0.000 1.368 302 I CB -0.554 36.927 38.000 -0.865 0.000 1.058 302 I HN 0.371 nan 8.210 nan 0.000 0.410 303 E N -0.046 120.141 120.200 -0.021 0.000 2.118 303 E HA -0.252 4.098 4.350 0.000 0.000 0.195 303 E C 1.978 178.683 176.600 0.174 0.000 0.992 303 E CA 1.263 57.745 56.400 0.138 0.000 0.804 303 E CB -0.200 29.623 29.700 0.205 0.000 0.741 303 E HN 0.572 nan 8.360 nan 0.000 0.458 304 H N -0.904 118.178 119.070 0.019 0.000 2.545 304 H HA -0.022 4.534 4.556 0.000 0.000 0.282 304 H C 1.630 177.002 175.328 0.073 0.000 1.020 304 H CA 0.574 56.651 56.048 0.048 0.000 1.243 304 H CB 0.205 29.997 29.762 0.050 0.000 1.377 304 H HN -0.006 nan 8.280 nan 0.000 0.581 305 V N -0.256 119.769 119.914 0.185 0.000 3.263 305 V HA 0.080 4.200 4.120 0.000 0.000 0.248 305 V C 0.788 176.981 176.094 0.165 0.000 1.145 305 V CA 0.274 62.688 62.300 0.190 0.000 1.107 305 V CB 0.246 32.225 31.823 0.260 0.000 0.797 305 V HN 0.129 nan 8.190 nan 0.000 0.467 306 L N 1.120 122.430 121.223 0.145 0.000 2.292 306 L HA 0.366 4.706 4.340 0.000 0.000 0.284 306 L C -0.330 176.626 176.870 0.143 0.000 1.065 306 L CA -0.753 54.184 54.840 0.162 0.000 0.806 306 L CB 0.655 42.827 42.059 0.187 0.000 1.175 306 L HN 0.147 nan 8.230 nan 0.000 0.431 307 D N 3.075 123.560 120.400 0.143 0.000 2.793 307 D HA -0.059 4.582 4.640 0.000 0.000 0.230 307 D C 0.217 176.583 176.300 0.109 0.000 1.139 307 D CA 1.034 55.104 54.000 0.116 0.000 0.838 307 D CB 0.174 41.047 40.800 0.122 0.000 1.149 307 D HN 0.539 nan 8.370 nan 0.000 0.526 308 D N 1.417 121.863 120.400 0.076 0.000 3.099 308 D HA -0.205 4.435 4.640 0.000 0.000 0.213 308 D C 0.693 177.035 176.300 0.071 0.000 1.121 308 D CA 1.018 55.055 54.000 0.062 0.000 0.951 308 D CB -1.473 39.366 40.800 0.064 0.000 1.102 308 D HN 0.677 nan 8.370 nan 0.000 0.423 309 A N -0.574 122.290 122.820 0.074 0.000 2.799 309 A HA -0.332 3.988 4.320 0.000 0.000 0.287 309 A C 0.477 178.150 177.584 0.149 0.000 1.484 309 A CA 1.901 53.990 52.037 0.087 0.000 0.813 309 A CB -1.582 17.436 19.000 0.029 0.000 1.009 309 A HN 0.517 nan 8.150 nan 0.000 0.545 310 E N -0.704 119.604 120.200 0.179 0.000 2.081 310 E HA 0.603 4.953 4.350 0.000 0.000 0.281 310 E C -0.669 176.134 176.600 0.337 0.000 0.986 310 E CA -0.636 55.901 56.400 0.228 0.000 0.796 310 E CB 0.358 30.179 29.700 0.200 0.000 1.085 310 E HN 0.542 nan 8.360 nan 0.000 0.398 311 F N 6.236 126.283 119.950 0.162 0.000 2.403 311 F HA 0.391 4.918 4.527 0.000 0.000 0.355 311 F C -1.587 174.323 175.800 0.183 0.000 1.119 311 F CA -1.226 56.865 58.000 0.152 0.000 1.007 311 F CB 0.649 39.713 39.000 0.107 0.000 1.194 311 F HN 0.423 nan 8.300 nan 0.000 0.443 312 F N 7.451 127.236 119.950 -0.275 0.000 2.335 312 F HA 0.310 4.837 4.527 0.000 0.000 0.365 312 F C -0.103 175.333 175.800 -0.606 0.000 1.122 312 F CA -0.387 57.404 58.000 -0.348 0.000 1.151 312 F CB 0.369 39.294 39.000 -0.125 0.000 1.282 312 F HN 0.578 nan 8.300 nan 0.000 0.513 313 E N 4.297 123.847 120.200 -1.082 0.000 2.266 313 E HA 0.357 4.707 4.350 0.000 0.000 0.277 313 E C -0.759 175.539 176.600 -0.503 0.000 1.018 313 E CA -0.633 55.213 56.400 -0.923 0.000 0.840 313 E CB 1.112 30.333 29.700 -0.797 0.000 1.082 313 E HN 0.613 nan 8.360 nan 0.000 0.395 314 T N 1.390 115.784 114.554 -0.266 0.000 2.859 314 T HA 0.218 4.568 4.350 0.000 0.000 0.281 314 T C 0.039 174.781 174.700 0.071 0.000 1.005 314 T CA -0.693 61.408 62.100 0.003 0.000 1.025 314 T CB 1.389 70.368 68.868 0.185 0.000 0.977 314 T HN 0.701 nan 8.240 nan 0.000 0.458 315 Q N 0.455 120.354 119.800 0.166 0.000 2.457 315 Q HA -0.126 4.214 4.340 0.000 0.000 0.283 315 Q C -1.517 174.566 176.000 0.139 0.000 1.234 315 Q CA 0.531 56.428 55.803 0.158 0.000 0.877 315 Q CB -1.278 27.575 28.738 0.190 0.000 1.250 315 Q HN 0.717 nan 8.270 nan 0.000 0.481 316 P HA -0.176 nan 4.420 nan 0.000 0.219 316 P C 0.996 178.359 177.300 0.105 0.000 1.146 316 P CA 1.158 64.314 63.100 0.093 0.000 0.808 316 P CB 0.056 31.797 31.700 0.069 0.000 0.779 317 L N -2.590 118.695 121.223 0.104 0.000 2.591 317 L HA 0.176 4.516 4.340 0.000 0.000 0.228 317 L C 0.906 177.875 176.870 0.166 0.000 1.133 317 L CA -0.163 54.739 54.840 0.103 0.000 0.880 317 L CB -0.355 41.742 42.059 0.063 0.000 1.033 317 L HN -0.106 nan 8.230 nan 0.000 0.450 318 F N 0.939 120.902 119.950 0.020 0.000 2.426 318 F HA 0.588 5.115 4.527 0.000 0.000 0.348 318 F C 0.695 176.505 175.800 0.017 0.000 1.124 318 F CA -1.015 56.994 58.000 0.014 0.000 1.008 318 F CB 1.034 40.036 39.000 0.003 0.000 1.139 318 F HN -0.025 nan 8.300 nan 0.000 0.452 319 A N 5.780 128.293 122.820 -0.512 0.000 2.416 319 A HA -0.177 4.143 4.320 0.000 0.000 0.293 319 A C -2.202 175.317 177.584 -0.109 0.000 1.452 319 A CA 0.353 52.148 52.037 -0.403 0.000 0.738 319 A CB -1.833 16.883 19.000 -0.474 0.000 1.123 319 A HN 0.623 nan 8.150 nan 0.000 0.389 320 P HA -0.130 nan 4.420 nan 0.000 0.228 320 P C 1.297 178.654 177.300 0.094 0.000 1.151 320 P CA 1.240 64.391 63.100 0.084 0.000 0.770 320 P CB -0.118 31.669 31.700 0.145 0.000 0.786 321 N N -0.409 118.345 118.700 0.090 0.000 2.453 321 N HA -0.093 4.647 4.740 0.000 0.000 0.183 321 N C 0.574 176.086 175.510 0.005 0.000 1.041 321 N CA 0.644 53.752 53.050 0.098 0.000 0.900 321 N CB -0.313 38.222 38.487 0.080 0.000 0.961 321 N HN 0.254 nan 8.380 nan 0.000 0.443 322 I N 0.208 120.770 120.570 -0.013 0.000 2.608 322 I HA 0.333 4.503 4.170 0.000 0.000 0.295 322 I C -1.262 174.836 176.117 -0.030 0.000 1.049 322 I CA -1.041 60.243 61.300 -0.027 0.000 1.063 322 I CB 2.046 40.038 38.000 -0.013 0.000 1.248 322 I HN -0.172 nan 8.210 nan 0.000 0.424 323 L N 6.107 127.292 121.223 -0.064 0.000 2.296 323 L HA 0.562 4.902 4.340 0.000 0.000 0.286 323 L C -0.420 176.403 176.870 -0.078 0.000 1.023 323 L CA -0.452 54.346 54.840 -0.071 0.000 0.812 323 L CB 1.679 43.620 42.059 -0.195 0.000 1.223 323 L HN 0.595 nan 8.230 nan 0.000 0.421 324 T N -0.364 114.121 114.554 -0.115 0.000 2.900 324 T HA 0.928 5.278 4.350 0.000 0.000 0.295 324 T C -0.225 174.173 174.700 -0.503 0.000 1.044 324 T CA -0.423 61.398 62.100 -0.464 0.000 0.995 324 T CB 2.596 71.013 68.868 -0.752 0.000 1.072 324 T HN 0.913 nan 8.240 nan 0.000 0.473 325 G N 0.967 109.304 108.800 -0.772 0.000 2.317 325 G HA2 0.469 4.429 3.960 0.000 0.000 0.293 325 G HA3 0.469 4.429 3.960 0.000 0.000 0.293 325 G C -2.057 172.718 174.900 -0.208 0.000 1.287 325 G CA -0.987 43.833 45.100 -0.466 0.000 0.850 325 G HN 0.659 nan 8.290 nan 0.000 0.515 326 F N -0.076 119.942 119.950 0.113 0.000 2.541 326 F HA 0.886 5.413 4.527 0.000 0.000 0.331 326 F C 0.991 176.749 175.800 -0.069 0.000 1.057 326 F CA 0.428 58.374 58.000 -0.091 0.000 0.975 326 F CB 2.362 40.896 39.000 -0.776 0.000 1.246 326 F HN 0.928 nan 8.300 nan 0.000 0.484 327 G N 0.419 109.339 108.800 0.200 0.000 2.548 327 G HA2 0.647 4.607 3.960 0.000 0.000 0.301 327 G HA3 0.647 4.607 3.960 0.000 0.000 0.301 327 G C -1.905 173.232 174.900 0.395 0.000 1.349 327 G CA -1.098 44.199 45.100 0.328 0.000 0.792 327 G HN 0.496 nan 8.290 nan 0.000 0.481 328 R N -1.278 119.437 120.500 0.358 0.000 2.803 328 R HA 0.749 5.089 4.340 0.000 0.000 0.276 328 R C -1.424 175.005 176.300 0.216 0.000 0.978 328 R CA -0.789 55.486 56.100 0.292 0.000 0.939 328 R CB 2.725 33.185 30.300 0.267 0.000 1.179 328 R HN 0.327 nan 8.270 nan 0.000 0.472 329 V N 1.942 121.965 119.914 0.182 0.000 2.612 329 V HA 0.156 4.276 4.120 0.000 0.000 0.301 329 V C -0.015 176.151 176.094 0.121 0.000 1.059 329 V CA -0.658 61.731 62.300 0.148 0.000 0.886 329 V CB 1.565 33.477 31.823 0.148 0.000 1.007 329 V HN 0.914 nan 8.190 nan 0.000 0.426 330 E N 3.330 123.593 120.200 0.104 0.000 2.440 330 E HA -0.318 4.032 4.350 0.000 0.000 0.246 330 E C 1.300 177.954 176.600 0.090 0.000 1.165 330 E CA 0.863 57.315 56.400 0.086 0.000 0.726 330 E CB -1.037 28.706 29.700 0.072 0.000 1.271 330 E HN 1.596 nan 8.360 nan 0.000 0.397 331 G N 0.082 108.950 108.800 0.112 0.000 2.225 331 G HA2 -0.347 3.613 3.960 0.000 0.000 0.254 331 G HA3 -0.347 3.613 3.960 0.000 0.000 0.254 331 G C 0.161 175.132 174.900 0.117 0.000 0.988 331 G CA 0.492 45.670 45.100 0.130 0.000 0.625 331 G HN 0.228 nan 8.290 nan 0.000 0.527 332 R N 0.786 121.352 120.500 0.110 0.000 2.294 332 R HA 0.469 4.809 4.340 0.000 0.000 0.319 332 R C -2.910 173.489 176.300 0.165 0.000 0.984 332 R CA -2.150 54.010 56.100 0.100 0.000 0.861 332 R CB 1.072 31.418 30.300 0.076 0.000 1.104 332 R HN 0.074 nan 8.270 nan 0.000 0.451 333 P HA -0.078 nan 4.420 nan 0.000 0.265 333 P C -0.286 177.181 177.300 0.279 0.000 1.187 333 P CA 0.073 63.358 63.100 0.308 0.000 0.766 333 P CB 0.602 32.461 31.700 0.265 0.000 0.820 334 V N 0.236 120.353 119.914 0.338 0.000 3.130 334 V HA 0.957 5.077 4.120 0.000 0.000 0.310 334 V C -0.099 176.224 176.094 0.382 0.000 1.158 334 V CA -0.988 61.492 62.300 0.300 0.000 1.029 334 V CB 1.895 33.864 31.823 0.244 0.000 1.057 334 V HN 0.600 nan 8.190 nan 0.000 0.436 335 G N 1.153 110.138 108.800 0.308 0.000 2.432 335 G HA2 0.731 4.691 3.960 0.000 0.000 0.331 335 G HA3 0.731 4.691 3.960 0.000 0.000 0.331 335 G C -1.187 173.915 174.900 0.337 0.000 1.170 335 G CA -0.747 44.546 45.100 0.320 0.000 0.943 335 G HN 0.616 nan 8.290 nan 0.000 0.483 336 I N 1.353 122.115 120.570 0.321 0.000 2.447 336 I HA 0.363 4.533 4.170 0.000 0.000 0.287 336 I C -0.506 175.664 176.117 0.088 0.000 1.023 336 I CA -0.889 60.529 61.300 0.198 0.000 1.083 336 I CB 1.399 39.444 38.000 0.075 0.000 1.245 336 I HN 0.074 nan 8.210 nan 0.000 0.434 337 V N 4.966 124.977 119.914 0.162 0.000 2.540 337 V HA 0.932 5.052 4.120 0.000 0.000 0.302 337 V C -0.027 176.150 176.094 0.140 0.000 1.035 337 V CA -0.511 61.858 62.300 0.114 0.000 0.873 337 V CB 1.800 33.744 31.823 0.201 0.000 0.992 337 V HN 0.926 nan 8.190 nan 0.000 0.428 338 A N 3.944 126.798 122.820 0.056 0.000 2.577 338 A HA 0.620 4.940 4.320 0.000 0.000 0.297 338 A C -0.887 176.674 177.584 -0.039 0.000 1.060 338 A CA -0.820 51.248 52.037 0.052 0.000 0.697 338 A CB 1.265 20.295 19.000 0.050 0.000 1.281 338 A HN 0.672 nan 8.150 nan 0.000 0.402 339 N N 1.010 119.680 118.700 -0.050 0.000 2.508 339 N HA 0.309 5.049 4.740 0.000 0.000 0.264 339 N C -0.434 174.994 175.510 -0.137 0.000 1.216 339 N CA 0.245 53.242 53.050 -0.087 0.000 0.943 339 N CB 1.269 39.697 38.487 -0.099 0.000 1.113 339 N HN 0.689 nan 8.380 nan 0.000 0.447 340 Q N 2.177 121.898 119.800 -0.131 0.000 2.523 340 Q HA 0.367 4.707 4.340 0.000 0.000 0.251 340 Q C -2.293 173.606 176.000 -0.169 0.000 1.033 340 Q CA -1.611 54.092 55.803 -0.167 0.000 0.746 340 Q CB 1.515 30.189 28.738 -0.107 0.000 1.189 340 Q HN 0.225 nan 8.270 nan 0.000 0.508 341 P HA -0.202 nan 4.420 nan 0.000 0.218 341 P C 0.988 178.180 177.300 -0.181 0.000 1.146 341 P CA 1.276 64.222 63.100 -0.257 0.000 0.813 341 P CB 0.027 31.451 31.700 -0.461 0.000 0.778 342 M N -1.553 117.940 119.600 -0.178 0.000 2.279 342 M HA -0.120 4.360 4.480 0.000 0.000 0.264 342 M C 0.065 176.277 176.300 -0.146 0.000 1.062 342 M CA 1.662 56.886 55.300 -0.127 0.000 1.099 342 M CB -0.107 32.448 32.600 -0.075 0.000 1.394 342 M HN -0.172 nan 8.290 nan 0.000 0.426 343 Q N 1.138 120.875 119.800 -0.105 0.000 2.368 343 Q HA 0.228 4.568 4.340 0.000 0.000 0.263 343 Q C -0.798 175.219 176.000 0.028 0.000 1.009 343 Q CA -0.375 55.344 55.803 -0.140 0.000 0.818 343 Q CB 0.514 29.329 28.738 0.129 0.000 1.239 343 Q HN 0.568 nan 8.270 nan 0.000 0.464 344 F N 0.589 120.511 119.950 -0.047 0.000 3.067 344 F HA -0.329 4.198 4.527 0.000 0.000 0.279 344 F C 1.064 176.836 175.800 -0.047 0.000 0.945 344 F CA 0.579 58.555 58.000 -0.041 0.000 0.948 344 F CB -2.392 36.583 39.000 -0.042 0.000 0.898 344 F HN 0.781 nan 8.300 nan 0.000 0.746 345 A N -1.142 121.692 122.820 0.024 0.000 2.765 345 A HA 0.118 4.438 4.320 0.000 0.000 0.286 345 A C 2.191 179.764 177.584 -0.018 0.000 1.457 345 A CA 1.670 53.704 52.037 -0.004 0.000 0.899 345 A CB -1.760 17.254 19.000 0.023 0.000 0.983 345 A HN 2.707 nan 8.150 nan 0.000 0.584 346 G N -2.650 106.142 108.800 -0.014 0.000 2.147 346 G HA2 -0.065 3.895 3.960 0.000 0.000 0.244 346 G HA3 -0.065 3.895 3.960 0.000 0.000 0.244 346 G C 1.220 176.090 174.900 -0.050 0.000 1.005 346 G CA 1.037 46.107 45.100 -0.049 0.000 0.713 346 G HN 2.625 nan 8.290 nan 0.000 0.515 347 C N -0.317 118.981 119.300 -0.005 0.000 2.657 347 C HA 0.782 5.242 4.460 0.000 0.000 0.404 347 C C 1.190 176.120 174.990 -0.100 0.000 1.291 347 C CA -1.411 57.576 59.018 -0.052 0.000 2.218 347 C CB 0.246 27.990 27.740 0.007 0.000 2.687 347 C HN 0.497 nan 8.230 nan 0.000 0.634 348 L N 3.822 124.932 121.223 -0.190 0.000 2.399 348 L HA 0.644 4.984 4.340 0.000 0.000 0.265 348 L C 0.431 177.309 176.870 0.014 0.000 1.089 348 L CA 0.244 54.992 54.840 -0.152 0.000 0.802 348 L CB 1.070 42.906 42.059 -0.372 0.000 1.180 348 L HN 1.014 nan 8.230 nan 0.000 0.454 349 D N 0.621 121.058 120.400 0.062 0.000 2.792 349 D HA 0.071 4.711 4.640 0.000 0.000 0.335 349 D C 0.547 176.881 176.300 0.058 0.000 1.353 349 D CA -0.578 53.466 54.000 0.073 0.000 0.839 349 D CB 0.873 41.643 40.800 -0.050 0.000 1.396 349 D HN 0.203 nan 8.370 nan 0.000 0.479 350 I N 0.961 121.548 120.570 0.029 0.000 2.091 350 I HA -0.277 3.893 4.170 0.000 0.000 0.239 350 I C 2.817 178.954 176.117 0.035 0.000 1.061 350 I CA 3.110 64.431 61.300 0.035 0.000 1.317 350 I CB -0.940 37.072 38.000 0.021 0.000 1.031 350 I HN 0.762 nan 8.210 nan 0.000 0.401 351 T N -1.349 113.181 114.554 -0.040 0.000 2.708 351 T HA -0.141 4.209 4.350 0.000 0.000 0.266 351 T C 2.041 176.724 174.700 -0.029 0.000 1.037 351 T CA 1.186 63.237 62.100 -0.081 0.000 1.146 351 T CB -1.054 67.515 68.868 -0.498 0.000 0.865 351 T HN 0.304 nan 8.240 nan 0.000 0.435 352 A N 1.863 124.637 122.820 -0.077 0.000 1.903 352 A HA -0.126 4.194 4.320 0.000 0.000 0.219 352 A C 2.740 180.361 177.584 0.061 0.000 1.191 352 A CA 2.458 54.483 52.037 -0.021 0.000 0.638 352 A CB -1.337 17.637 19.000 -0.042 0.000 0.823 352 A HN 0.568 nan 8.150 nan 0.000 0.451 353 S N -0.402 115.349 115.700 0.084 0.000 2.356 353 S HA -0.156 4.314 4.470 0.000 0.000 0.223 353 S C 1.891 176.564 174.600 0.122 0.000 1.032 353 S CA 1.556 59.828 58.200 0.119 0.000 1.005 353 S CB -0.317 62.964 63.200 0.135 0.000 0.867 353 S HN 0.731 nan 8.310 nan 0.000 0.449 354 E N 1.121 121.399 120.200 0.130 0.000 2.076 354 E HA -0.102 4.248 4.350 0.000 0.000 0.190 354 E C 2.111 178.806 176.600 0.159 0.000 0.979 354 E CA 0.640 57.118 56.400 0.131 0.000 0.807 354 E CB -0.170 29.610 29.700 0.133 0.000 0.761 354 E HN 0.432 nan 8.360 nan 0.000 0.454 355 K N 1.511 122.048 120.400 0.229 0.000 2.015 355 K HA -0.250 4.070 4.320 0.000 0.000 0.216 355 K C 2.205 178.927 176.600 0.202 0.000 1.052 355 K CA 1.835 58.271 56.287 0.249 0.000 0.937 355 K CB -0.234 32.455 32.500 0.315 0.000 0.719 355 K HN 0.086 nan 8.250 nan 0.000 0.446 356 A N 0.723 123.640 122.820 0.162 0.000 1.898 356 A HA -0.053 4.267 4.320 0.000 0.000 0.216 356 A C 2.375 180.045 177.584 0.144 0.000 1.181 356 A CA 1.906 54.036 52.037 0.155 0.000 0.620 356 A CB -0.931 18.142 19.000 0.122 0.000 0.819 356 A HN 0.570 nan 8.150 nan 0.000 0.442 357 A N -0.571 122.314 122.820 0.108 0.000 1.883 357 A HA -0.190 4.130 4.320 0.000 0.000 0.217 357 A C 2.283 179.900 177.584 0.054 0.000 1.186 357 A CA 1.660 53.734 52.037 0.062 0.000 0.624 357 A CB -0.506 18.539 19.000 0.076 0.000 0.822 357 A HN 0.463 nan 8.150 nan 0.000 0.444 358 R N -2.108 118.445 120.500 0.087 0.000 2.189 358 R HA -0.071 4.269 4.340 0.000 0.000 0.223 358 R C 1.804 178.159 176.300 0.090 0.000 1.092 358 R CA 1.216 57.357 56.100 0.069 0.000 0.989 358 R CB -0.288 30.056 30.300 0.074 0.000 0.876 358 R HN 0.616 nan 8.270 nan 0.000 0.457 359 F N 0.280 120.241 119.950 0.018 0.000 2.187 359 F HA -0.108 4.419 4.527 0.000 0.000 0.295 359 F C 1.872 177.670 175.800 -0.005 0.000 1.091 359 F CA 0.855 58.874 58.000 0.031 0.000 1.308 359 F CB -0.093 38.932 39.000 0.042 0.000 1.030 359 F HN -0.278 nan 8.300 nan 0.000 0.487 360 V N 1.315 121.220 119.914 -0.015 0.000 2.407 360 V HA -0.288 3.832 4.120 0.000 0.000 0.248 360 V C 2.408 178.398 176.094 -0.173 0.000 1.055 360 V CA 2.199 64.394 62.300 -0.174 0.000 1.049 360 V CB -0.781 30.851 31.823 -0.319 0.000 0.662 360 V HN 0.290 nan 8.190 nan 0.000 0.455 361 R N -0.124 120.309 120.500 -0.112 0.000 2.073 361 R HA -0.092 4.248 4.340 0.000 0.000 0.229 361 R C 2.423 178.657 176.300 -0.109 0.000 1.120 361 R CA 1.754 57.801 56.100 -0.088 0.000 0.967 361 R CB -0.865 29.409 30.300 -0.044 0.000 0.862 361 R HN 0.509 nan 8.270 nan 0.000 0.436 362 T N 0.928 115.417 114.554 -0.109 0.000 2.652 362 T HA -0.217 4.133 4.350 0.000 0.000 0.267 362 T C 2.181 176.907 174.700 0.043 0.000 1.039 362 T CA 1.557 63.642 62.100 -0.024 0.000 1.153 362 T CB -0.474 68.361 68.868 -0.056 0.000 0.863 362 T HN 0.338 nan 8.240 nan 0.000 0.428 363 C N 1.245 120.467 119.300 -0.130 0.000 2.432 363 C HA -0.093 4.367 4.460 0.000 0.000 0.277 363 C C 2.692 177.683 174.990 0.002 0.000 1.249 363 C CA 0.750 59.742 59.018 -0.042 0.000 1.725 363 C CB -1.156 26.462 27.740 -0.204 0.000 2.028 363 C HN 0.695 nan 8.230 nan 0.000 0.477 364 D N 0.708 121.068 120.400 -0.066 0.000 2.123 364 D HA -0.111 4.529 4.640 0.000 0.000 0.196 364 D C 2.116 178.361 176.300 -0.093 0.000 0.992 364 D CA 1.603 55.568 54.000 -0.059 0.000 0.833 364 D CB -0.131 40.627 40.800 -0.071 0.000 0.954 364 D HN 0.401 nan 8.370 nan 0.000 0.455 365 A N -0.484 122.230 122.820 -0.178 0.000 1.908 365 A HA -0.096 4.224 4.320 0.000 0.000 0.218 365 A C 1.415 178.712 177.584 -0.478 0.000 1.181 365 A CA 1.023 52.829 52.037 -0.385 0.000 0.627 365 A CB -0.757 17.885 19.000 -0.596 0.000 0.818 365 A HN 0.355 nan 8.150 nan 0.000 0.445 366 F N -0.193 119.764 119.950 0.011 0.000 2.730 366 F HA 0.239 4.766 4.527 0.000 0.000 0.295 366 F C 0.556 176.371 175.800 0.025 0.000 1.143 366 F CA -0.182 57.832 58.000 0.024 0.000 1.367 366 F CB -0.957 38.069 39.000 0.043 0.000 0.970 366 F HN 0.369 nan 8.300 nan 0.000 0.514 367 N N -1.640 117.123 118.700 0.105 0.000 2.741 367 N HA -0.176 4.564 4.740 0.000 0.000 0.251 367 N C -0.723 174.849 175.510 0.102 0.000 1.112 367 N CA 0.343 53.442 53.050 0.082 0.000 0.750 367 N CB -1.590 36.942 38.487 0.074 0.000 1.119 367 N HN 0.043 nan 8.380 nan 0.000 0.561 368 V N 0.926 120.922 119.914 0.135 0.000 2.408 368 V HA 0.277 4.397 4.120 0.000 0.000 0.267 368 V C -1.660 174.507 176.094 0.121 0.000 1.047 368 V CA -1.297 61.098 62.300 0.159 0.000 0.937 368 V CB 0.925 32.899 31.823 0.252 0.000 0.999 368 V HN -0.065 nan 8.190 nan 0.000 0.472 369 P HA 0.084 nan 4.420 nan 0.000 0.267 369 P C -0.717 176.656 177.300 0.121 0.000 1.201 369 P CA 0.130 63.291 63.100 0.103 0.000 0.775 369 P CB 0.514 32.277 31.700 0.106 0.000 0.854 370 V N 3.990 123.964 119.914 0.101 0.000 2.447 370 V HA 0.264 4.384 4.120 0.000 0.000 0.292 370 V C -0.046 176.108 176.094 0.100 0.000 1.021 370 V CA -0.469 61.905 62.300 0.123 0.000 0.850 370 V CB 1.124 33.009 31.823 0.104 0.000 1.005 370 V HN 0.318 nan 8.190 nan 0.000 0.426 371 L N 4.592 125.877 121.223 0.103 0.000 2.292 371 L HA 0.695 5.035 4.340 0.000 0.000 0.284 371 L C 0.462 177.295 176.870 -0.063 0.000 1.065 371 L CA -0.142 54.678 54.840 -0.033 0.000 0.806 371 L CB 1.599 43.675 42.059 0.028 0.000 1.175 371 L HN 0.726 nan 8.230 nan 0.000 0.431 372 T N 0.489 114.879 114.554 -0.272 0.000 2.824 372 T HA 0.657 5.007 4.350 0.000 0.000 0.282 372 T C -0.815 173.591 174.700 -0.490 0.000 0.993 372 T CA -0.460 61.537 62.100 -0.173 0.000 0.967 372 T CB 0.771 69.640 68.868 0.003 0.000 0.960 372 T HN 0.236 nan 8.240 nan 0.000 0.441 373 F N 2.967 122.849 119.950 -0.114 0.000 2.467 373 F HA 0.620 5.147 4.527 0.000 0.000 0.336 373 F C 0.021 175.713 175.800 -0.179 0.000 1.123 373 F CA -1.184 56.707 58.000 -0.181 0.000 0.964 373 F CB 2.155 41.042 39.000 -0.189 0.000 1.136 373 F HN 0.532 nan 8.300 nan 0.000 0.447 374 V N 3.357 123.220 119.914 -0.085 0.000 2.407 374 V HA 0.542 4.662 4.120 0.000 0.000 0.291 374 V C -1.483 174.535 176.094 -0.126 0.000 1.018 374 V CA -0.124 62.109 62.300 -0.112 0.000 0.842 374 V CB 1.450 33.183 31.823 -0.149 0.000 0.996 374 V HN 0.780 nan 8.190 nan 0.000 0.426 375 D N 5.141 125.477 120.400 -0.107 0.000 2.378 375 D HA 0.336 4.976 4.640 0.000 0.000 0.265 375 D C -1.421 174.794 176.300 -0.141 0.000 1.229 375 D CA 0.062 53.996 54.000 -0.110 0.000 0.914 375 D CB 1.599 42.379 40.800 -0.034 0.000 1.140 375 D HN 0.522 nan 8.370 nan 0.000 0.516 376 V N 5.618 125.420 119.914 -0.186 0.000 2.482 376 V HA 0.461 4.581 4.120 0.000 0.000 0.295 376 V C -1.847 174.129 176.094 -0.197 0.000 1.026 376 V CA -2.018 60.175 62.300 -0.178 0.000 0.856 376 V CB 2.466 34.176 31.823 -0.188 0.000 1.001 376 V HN 0.225 nan 8.190 nan 0.000 0.424 377 P HA 0.247 nan 4.420 nan 0.000 0.220 377 P C 0.650 178.063 177.300 0.189 0.000 1.152 377 P CA 1.734 64.902 63.100 0.114 0.000 0.812 377 P CB 0.494 32.269 31.700 0.125 0.000 0.792 378 G N -1.201 107.595 108.800 -0.006 0.000 2.339 378 G HA2 0.171 4.131 3.960 0.000 0.000 0.275 378 G HA3 0.171 4.131 3.960 0.000 0.000 0.275 378 G C -1.700 173.078 174.900 -0.203 0.000 1.323 378 G CA -0.934 44.133 45.100 -0.056 0.000 0.927 378 G HN -0.020 nan 8.290 nan 0.000 0.486 379 F N 0.428 120.416 119.950 0.063 0.000 2.394 379 F HA 0.577 5.104 4.527 0.000 0.000 0.340 379 F C 0.903 176.719 175.800 0.028 0.000 1.105 379 F CA -0.614 57.408 58.000 0.037 0.000 1.124 379 F CB 1.581 40.600 39.000 0.032 0.000 1.145 379 F HN 0.401 nan 8.300 nan 0.000 0.505 380 L N 6.180 127.500 121.223 0.162 0.000 2.706 380 L HA 0.033 4.373 4.340 0.000 0.000 0.282 380 L C -2.311 174.620 176.870 0.102 0.000 1.219 380 L CA -0.945 53.950 54.840 0.093 0.000 0.935 380 L CB -0.567 41.507 42.059 0.025 0.000 1.204 380 L HN 0.314 nan 8.230 nan 0.000 0.491 381 P HA 0.570 nan 4.420 nan 0.000 0.275 381 P C -0.647 176.671 177.300 0.029 0.000 1.228 381 P CA -0.254 62.879 63.100 0.056 0.000 0.786 381 P CB 1.224 32.953 31.700 0.049 0.000 0.927 382 G N 0.248 109.057 108.800 0.015 0.000 2.238 382 G HA2 0.109 4.069 3.960 0.000 0.000 0.276 382 G HA3 0.109 4.069 3.960 0.000 0.000 0.276 382 G C 0.125 175.010 174.900 -0.024 0.000 1.744 382 G CA -0.246 44.849 45.100 -0.009 0.000 0.912 382 G HN 0.443 nan 8.290 nan 0.000 0.744 383 V N 1.087 120.961 119.914 -0.066 0.000 2.626 383 V HA -0.042 4.078 4.120 0.000 0.000 0.252 383 V C 2.215 178.219 176.094 -0.150 0.000 1.067 383 V CA 2.882 65.102 62.300 -0.134 0.000 1.081 383 V CB -0.403 31.269 31.823 -0.252 0.000 0.686 383 V HN 0.819 nan 8.190 nan 0.000 0.468 384 D N -1.544 118.795 120.400 -0.102 0.000 2.178 384 D HA -0.242 4.398 4.640 0.000 0.000 0.202 384 D C 1.925 178.230 176.300 0.007 0.000 0.974 384 D CA 1.031 55.005 54.000 -0.044 0.000 0.841 384 D CB -0.370 40.407 40.800 -0.039 0.000 0.953 384 D HN 0.463 nan 8.370 nan 0.000 0.478 385 Q N 0.672 120.474 119.800 0.002 0.000 2.084 385 Q HA -0.137 4.203 4.340 0.000 0.000 0.202 385 Q C 2.056 178.076 176.000 0.033 0.000 0.978 385 Q CA 1.233 57.046 55.803 0.016 0.000 0.844 385 Q CB -0.159 28.590 28.738 0.018 0.000 0.898 385 Q HN 0.496 nan 8.270 nan 0.000 0.426 386 E N -0.303 119.928 120.200 0.051 0.000 2.033 386 E HA -0.106 4.244 4.350 0.000 0.000 0.189 386 E C 1.838 178.516 176.600 0.129 0.000 0.979 386 E CA 0.494 56.939 56.400 0.075 0.000 0.802 386 E CB 0.004 29.759 29.700 0.092 0.000 0.763 386 E HN 0.451 nan 8.360 nan 0.000 0.449 387 H N -0.494 118.568 119.070 -0.013 0.000 2.492 387 H HA -0.114 4.442 4.556 0.000 0.000 0.296 387 H C 0.658 175.980 175.328 -0.009 0.000 1.095 387 H CA 1.308 57.350 56.048 -0.010 0.000 1.281 387 H CB 0.193 29.950 29.762 -0.007 0.000 1.374 387 H HN 0.247 nan 8.280 nan 0.000 0.545 388 D N -1.556 118.908 120.400 0.107 0.000 2.349 388 D HA 0.141 4.781 4.640 0.000 0.000 0.214 388 D C 1.058 177.374 176.300 0.028 0.000 1.063 388 D CA 0.562 54.594 54.000 0.054 0.000 0.847 388 D CB 0.960 41.788 40.800 0.047 0.000 0.933 388 D HN 0.445 nan 8.370 nan 0.000 0.513 389 G N 1.131 109.944 108.800 0.021 0.000 2.145 389 G HA2 -0.274 3.686 3.960 0.000 0.000 0.176 389 G HA3 -0.274 3.686 3.960 0.000 0.000 0.176 389 G C 0.994 175.890 174.900 -0.007 0.000 1.013 389 G CA 0.080 45.180 45.100 -0.000 0.000 0.689 389 G HN 0.269 nan 8.290 nan 0.000 0.506 390 I N 0.694 121.260 120.570 -0.007 0.000 2.300 390 I HA -0.189 3.981 4.170 0.000 0.000 0.252 390 I C 2.453 178.533 176.117 -0.062 0.000 1.119 390 I CA 2.038 63.323 61.300 -0.025 0.000 1.384 390 I CB -0.220 37.757 38.000 -0.038 0.000 1.062 390 I HN 0.517 nan 8.210 nan 0.000 0.426 391 I N 0.758 121.289 120.570 -0.065 0.000 2.208 391 I HA -0.333 3.837 4.170 0.000 0.000 0.245 391 I C 2.629 178.718 176.117 -0.046 0.000 1.097 391 I CA 2.102 63.358 61.300 -0.074 0.000 1.363 391 I CB -0.556 37.410 38.000 -0.056 0.000 1.051 391 I HN 0.379 nan 8.210 nan 0.000 0.413 392 R N 0.620 121.103 120.500 -0.029 0.000 2.206 392 R HA 0.085 4.425 4.340 0.000 0.000 0.198 392 R C 2.140 178.435 176.300 -0.009 0.000 0.986 392 R CA 0.204 56.292 56.100 -0.019 0.000 1.029 392 R CB -0.222 30.064 30.300 -0.024 0.000 0.966 392 R HN 0.224 nan 8.270 nan 0.000 0.487 393 R N 0.690 121.191 120.500 0.001 0.000 2.100 393 R HA 0.070 4.410 4.340 0.000 0.000 0.220 393 R C 2.208 178.538 176.300 0.050 0.000 1.091 393 R CA 1.276 57.389 56.100 0.021 0.000 0.986 393 R CB -0.151 30.167 30.300 0.030 0.000 0.888 393 R HN 0.412 nan 8.270 nan 0.000 0.444 394 G N 0.385 109.218 108.800 0.055 0.000 2.650 394 G HA2 -0.083 3.877 3.960 0.000 0.000 0.214 394 G HA3 -0.083 3.877 3.960 0.000 0.000 0.214 394 G C 1.357 176.327 174.900 0.116 0.000 1.136 394 G CA 0.508 45.677 45.100 0.114 0.000 0.789 394 G HN 0.333 nan 8.290 nan 0.000 0.536 395 A N 0.845 123.708 122.820 0.071 0.000 2.119 395 A HA 0.133 4.453 4.320 0.000 0.000 0.217 395 A C 2.210 179.877 177.584 0.137 0.000 1.153 395 A CA 1.293 53.387 52.037 0.095 0.000 0.692 395 A CB -0.185 18.852 19.000 0.063 0.000 0.799 395 A HN 0.359 nan 8.150 nan 0.000 0.458 396 K N -0.730 119.728 120.400 0.097 0.000 2.057 396 K HA -0.134 4.186 4.320 0.000 0.000 0.207 396 K C 1.806 178.502 176.600 0.162 0.000 1.049 396 K CA 1.324 57.666 56.287 0.092 0.000 0.931 396 K CB -0.334 32.190 32.500 0.039 0.000 0.714 396 K HN 0.388 nan 8.250 nan 0.000 0.440 397 L N 1.704 123.029 121.223 0.170 0.000 2.056 397 L HA -0.104 4.236 4.340 0.000 0.000 0.207 397 L C 1.934 178.976 176.870 0.286 0.000 1.078 397 L CA 1.438 56.401 54.840 0.206 0.000 0.749 397 L CB -0.334 41.863 42.059 0.230 0.000 0.901 397 L HN 0.151 nan 8.230 nan 0.000 0.433 398 I N -1.470 119.252 120.570 0.252 0.000 2.163 398 I HA -0.362 3.808 4.170 0.000 0.000 0.243 398 I C 2.403 178.649 176.117 0.215 0.000 1.085 398 I CA 1.702 63.133 61.300 0.219 0.000 1.347 398 I CB -0.480 37.615 38.000 0.158 0.000 1.044 398 I HN 0.251 nan 8.210 nan 0.000 0.408 399 F N 1.617 121.615 119.950 0.080 0.000 2.134 399 F HA -0.222 4.305 4.527 0.000 0.000 0.299 399 F C 2.522 178.343 175.800 0.036 0.000 1.097 399 F CA 1.524 59.553 58.000 0.049 0.000 1.264 399 F CB -0.311 38.708 39.000 0.031 0.000 1.001 399 F HN -0.001 nan 8.300 nan 0.000 0.479 400 A N -0.714 122.272 122.820 0.276 0.000 1.877 400 A HA -0.228 4.092 4.320 0.000 0.000 0.216 400 A C 2.039 179.613 177.584 -0.017 0.000 1.186 400 A CA 1.798 53.896 52.037 0.101 0.000 0.620 400 A CB -1.518 17.472 19.000 -0.015 0.000 0.822 400 A HN 0.496 nan 8.150 nan 0.000 0.443 401 Y N -0.167 120.148 120.300 0.025 0.000 2.181 401 Y HA -0.079 4.471 4.550 0.000 0.000 0.288 401 Y C 2.921 178.781 175.900 -0.066 0.000 1.146 401 Y CA 1.018 59.105 58.100 -0.021 0.000 1.164 401 Y CB -0.526 37.916 38.460 -0.031 0.000 0.982 401 Y HN 0.329 nan 8.280 nan 0.000 0.515 402 A N -0.337 122.519 122.820 0.060 0.000 1.930 402 A HA -0.196 4.124 4.320 0.000 0.000 0.217 402 A C 2.172 179.674 177.584 -0.135 0.000 1.175 402 A CA 1.663 53.661 52.037 -0.065 0.000 0.627 402 A CB -0.617 18.300 19.000 -0.137 0.000 0.815 402 A HN 0.526 nan 8.150 nan 0.000 0.443 403 E N 0.297 120.382 120.200 -0.191 0.000 2.107 403 E HA 0.077 4.427 4.350 0.000 0.000 0.191 403 E C 1.062 177.615 176.600 -0.078 0.000 0.982 403 E CA 0.426 56.717 56.400 -0.183 0.000 0.809 403 E CB -0.255 29.352 29.700 -0.156 0.000 0.756 403 E HN 0.547 nan 8.360 nan 0.000 0.459 404 A N 0.580 123.372 122.820 -0.046 0.000 2.561 404 A HA -0.004 4.316 4.320 0.000 0.000 0.234 404 A C 0.942 178.513 177.584 -0.022 0.000 1.055 404 A CA 0.975 52.994 52.037 -0.030 0.000 0.756 404 A CB 0.167 19.157 19.000 -0.017 0.000 0.986 404 A HN 0.422 nan 8.150 nan 0.000 0.505 405 T N -0.992 113.550 114.554 -0.020 0.000 3.043 405 T HA 0.338 4.688 4.350 0.000 0.000 0.272 405 T C 0.454 175.152 174.700 -0.003 0.000 0.990 405 T CA 0.466 62.557 62.100 -0.014 0.000 0.897 405 T CB -1.210 67.647 68.868 -0.019 0.000 1.111 405 T HN 1.237 nan 8.240 nan 0.000 0.529 406 V N -0.595 119.320 119.914 0.002 0.000 3.185 406 V HA 0.481 4.601 4.120 0.000 0.000 0.305 406 V C -2.710 173.398 176.094 0.023 0.000 1.090 406 V CA -2.589 59.720 62.300 0.016 0.000 1.107 406 V CB -0.341 31.496 31.823 0.024 0.000 1.061 406 V HN -0.052 nan 8.190 nan 0.000 0.480 407 P HA 0.164 nan 4.420 nan 0.000 0.258 407 P C -0.793 176.529 177.300 0.036 0.000 1.172 407 P CA 0.759 63.877 63.100 0.030 0.000 0.762 407 P CB -0.058 31.665 31.700 0.040 0.000 0.764 408 L N 5.335 126.573 121.223 0.025 0.000 2.349 408 L HA 0.547 4.888 4.340 0.000 0.000 0.278 408 L C 0.082 176.938 176.870 -0.022 0.000 0.996 408 L CA -0.487 54.370 54.840 0.029 0.000 0.825 408 L CB 1.479 43.575 42.059 0.062 0.000 1.243 408 L HN 0.239 nan 8.230 nan 0.000 0.412 409 I N 2.247 122.788 120.570 -0.048 0.000 2.447 409 I HA 0.371 4.541 4.170 0.000 0.000 0.287 409 I C -0.520 175.476 176.117 -0.201 0.000 1.023 409 I CA -0.111 61.126 61.300 -0.105 0.000 1.083 409 I CB 2.403 40.357 38.000 -0.077 0.000 1.245 409 I HN 0.516 nan 8.210 nan 0.000 0.434 410 T N 5.828 120.242 114.554 -0.233 0.000 2.807 410 T HA 0.542 4.892 4.350 0.000 0.000 0.279 410 T C -0.525 173.973 174.700 -0.336 0.000 0.993 410 T CA -0.564 61.349 62.100 -0.312 0.000 0.970 410 T CB 1.741 70.436 68.868 -0.289 0.000 0.950 410 T HN 0.364 nan 8.240 nan 0.000 0.441 411 V N 1.725 121.366 119.914 -0.453 0.000 2.444 411 V HA 0.676 4.796 4.120 0.000 0.000 0.294 411 V C -0.540 175.301 176.094 -0.421 0.000 1.022 411 V CA -1.049 61.001 62.300 -0.415 0.000 0.850 411 V CB 1.040 32.619 31.823 -0.408 0.000 0.992 411 V HN 0.848 nan 8.190 nan 0.000 0.426 412 I N 5.251 125.593 120.570 -0.380 0.000 2.304 412 I HA 0.331 4.501 4.170 0.000 0.000 0.291 412 I C 1.609 177.413 176.117 -0.521 0.000 1.018 412 I CA -0.020 61.077 61.300 -0.337 0.000 1.260 412 I CB 1.818 39.704 38.000 -0.189 0.000 1.390 412 I HN 0.918 nan 8.210 nan 0.000 0.475 413 T N 2.651 116.860 114.554 -0.575 0.000 2.939 413 T HA 0.104 4.454 4.350 0.000 0.000 0.254 413 T C 1.367 175.973 174.700 -0.158 0.000 1.041 413 T CA 0.520 62.165 62.100 -0.757 0.000 1.142 413 T CB 0.417 68.842 68.868 -0.738 0.000 0.874 413 T HN 0.615 nan 8.240 nan 0.000 0.452 414 R N 1.125 121.567 120.500 -0.097 0.000 2.818 414 R HA 0.355 4.695 4.340 0.000 0.000 0.098 414 R C -0.817 175.413 176.300 -0.117 0.000 0.924 414 R CA -0.555 55.535 56.100 -0.016 0.000 0.742 414 R CB 0.500 30.860 30.300 0.100 0.000 0.639 414 R HN 0.287 nan 8.270 nan 0.000 0.355 415 K N 0.834 121.125 120.400 -0.182 0.000 2.174 415 K HA 0.639 4.959 4.320 0.000 0.000 0.275 415 K C -1.394 174.879 176.600 -0.545 0.000 1.015 415 K CA -0.421 55.579 56.287 -0.480 0.000 0.933 415 K CB 1.957 34.072 32.500 -0.642 0.000 1.025 415 K HN 0.350 nan 8.250 nan 0.000 0.463 416 A N 4.154 126.541 122.820 -0.722 0.000 2.599 416 A HA 0.504 4.824 4.320 0.000 0.000 0.281 416 A C -1.514 175.868 177.584 -0.337 0.000 1.137 416 A CA -0.776 51.030 52.037 -0.386 0.000 0.767 416 A CB 0.173 19.144 19.000 -0.048 0.000 1.266 416 A HN 0.688 nan 8.150 nan 0.000 0.420 417 F N 1.894 121.870 119.950 0.043 0.000 2.495 417 F HA 0.617 5.144 4.527 0.000 0.000 0.327 417 F C 1.323 177.178 175.800 0.092 0.000 1.103 417 F CA 0.215 58.238 58.000 0.038 0.000 0.949 417 F CB 2.163 41.178 39.000 0.025 0.000 1.142 417 F HN 1.074 nan 8.300 nan 0.000 0.457 418 G N 2.070 111.047 108.800 0.295 0.000 2.611 418 G HA2 -0.318 3.642 3.960 0.000 0.000 0.301 418 G HA3 -0.318 3.642 3.960 0.000 0.000 0.301 418 G C 1.211 176.281 174.900 0.285 0.000 1.233 418 G CA 0.195 45.440 45.100 0.241 0.000 0.993 418 G HN 1.144 nan 8.290 nan 0.000 0.553 419 G N -0.112 108.876 108.800 0.312 0.000 2.408 419 G HA2 0.258 4.218 3.960 0.000 0.000 0.217 419 G HA3 0.258 4.218 3.960 0.000 0.000 0.217 419 G C 2.173 177.284 174.900 0.352 0.000 1.150 419 G CA 2.852 48.158 45.100 0.343 0.000 0.776 419 G HN 1.865 nan 8.290 nan 0.000 0.542 420 A N 0.195 123.186 122.820 0.285 0.000 1.978 420 A HA -0.090 4.230 4.320 0.000 0.000 0.220 420 A C 2.131 179.721 177.584 0.011 0.000 1.170 420 A CA 1.748 53.753 52.037 -0.054 0.000 0.636 420 A CB -0.687 18.088 19.000 -0.375 0.000 0.810 420 A HN 0.531 nan 8.150 nan 0.000 0.448 421 Y N 1.620 121.910 120.300 -0.017 0.000 2.114 421 Y HA -0.287 4.263 4.550 0.000 0.000 0.282 421 Y C 2.167 178.053 175.900 -0.024 0.000 1.165 421 Y CA 2.259 60.340 58.100 -0.032 0.000 1.148 421 Y CB -0.380 38.096 38.460 0.025 0.000 0.972 421 Y HN 0.345 nan 8.280 nan 0.000 0.504 422 N N -0.067 118.560 118.700 -0.122 0.000 2.188 422 N HA -0.144 4.596 4.740 0.000 0.000 0.184 422 N C 1.966 177.361 175.510 -0.193 0.000 1.018 422 N CA 1.672 54.589 53.050 -0.223 0.000 0.858 422 N CB -0.444 38.038 38.487 -0.009 0.000 0.989 422 N HN 0.346 nan 8.380 nan 0.000 0.426 423 V N 1.414 121.296 119.914 -0.054 0.000 2.469 423 V HA -0.137 3.983 4.120 0.000 0.000 0.251 423 V C 1.188 177.188 176.094 -0.157 0.000 1.064 423 V CA 1.086 63.388 62.300 0.002 0.000 1.066 423 V CB -0.303 31.588 31.823 0.113 0.000 0.667 423 V HN 0.286 nan 8.190 nan 0.000 0.461 424 M N 0.712 120.140 119.600 -0.287 0.000 3.117 424 M HA 0.384 4.864 4.480 0.000 0.000 0.292 424 M C 1.236 177.134 176.300 -0.671 0.000 1.357 424 M CA 0.321 55.374 55.300 -0.411 0.000 1.463 424 M CB -0.622 31.834 32.600 -0.239 0.000 1.105 424 M HN 0.405 nan 8.290 nan 0.000 0.553 425 G N 2.113 110.192 108.800 -1.202 0.000 2.258 425 G HA2 -0.269 3.691 3.960 0.000 0.000 0.274 425 G HA3 -0.269 3.691 3.960 0.000 0.000 0.274 425 G C 0.461 175.016 174.900 -0.576 0.000 1.021 425 G CA 0.700 45.198 45.100 -1.004 0.000 0.798 425 G HN 0.786 nan 8.290 nan 0.000 0.507 426 S N -1.034 114.311 115.700 -0.592 0.000 2.572 426 S HA 0.367 4.837 4.470 0.000 0.000 0.267 426 S C 1.644 175.948 174.600 -0.493 0.000 1.361 426 S CA 0.455 58.283 58.200 -0.620 0.000 1.009 426 S CB 1.260 63.980 63.200 -0.800 0.000 0.888 426 S HN 0.141 nan 8.310 nan 0.000 0.553 427 K N 1.006 121.071 120.400 -0.559 0.000 2.160 427 K HA -0.131 4.189 4.320 0.000 0.000 0.206 427 K C 1.937 178.283 176.600 -0.424 0.000 1.047 427 K CA 1.683 57.695 56.287 -0.459 0.000 0.930 427 K CB -0.894 31.349 32.500 -0.428 0.000 0.720 427 K HN 0.772 nan 8.250 nan 0.000 0.450 428 H N 0.132 119.071 119.070 -0.218 0.000 2.423 428 H HA -0.005 4.551 4.556 0.000 0.000 0.297 428 H C 1.990 177.230 175.328 -0.146 0.000 1.075 428 H CA 0.789 56.724 56.048 -0.189 0.000 1.342 428 H CB -0.154 29.482 29.762 -0.209 0.000 1.395 428 H HN 0.115 nan 8.280 nan 0.000 0.530 429 L N -0.339 120.834 121.223 -0.083 0.000 2.552 429 L HA 0.103 4.443 4.340 0.000 0.000 0.227 429 L C 1.484 178.314 176.870 -0.066 0.000 1.146 429 L CA 0.761 55.559 54.840 -0.069 0.000 0.858 429 L CB 0.141 42.150 42.059 -0.084 0.000 0.969 429 L HN 0.478 nan 8.230 nan 0.000 0.451 430 G N -0.529 108.216 108.800 -0.091 0.000 2.205 430 G HA2 -0.169 3.791 3.960 0.000 0.000 0.180 430 G HA3 -0.169 3.791 3.960 0.000 0.000 0.180 430 G C 0.400 175.258 174.900 -0.070 0.000 1.004 430 G CA -0.213 44.846 45.100 -0.068 0.000 0.670 430 G HN 0.399 nan 8.290 nan 0.000 0.496 431 A N 0.418 123.172 122.820 -0.109 0.000 2.546 431 A HA 0.489 4.809 4.320 0.000 0.000 0.243 431 A C 1.055 178.586 177.584 -0.088 0.000 1.063 431 A CA 1.342 53.318 52.037 -0.101 0.000 0.757 431 A CB 0.091 18.989 19.000 -0.170 0.000 0.991 431 A HN 0.385 nan 8.150 nan 0.000 0.503 432 D N 0.565 120.931 120.400 -0.056 0.000 2.194 432 D HA 0.127 4.767 4.640 0.000 0.000 0.204 432 D C -0.215 176.058 176.300 -0.044 0.000 0.964 432 D CA 0.751 54.727 54.000 -0.040 0.000 0.846 432 D CB 0.072 40.861 40.800 -0.018 0.000 0.962 432 D HN 0.279 nan 8.370 nan 0.000 0.490 433 L N 0.907 122.095 121.223 -0.058 0.000 2.406 433 L HA 0.413 4.753 4.340 0.000 0.000 0.272 433 L C -1.302 175.505 176.870 -0.106 0.000 0.980 433 L CA -0.708 54.094 54.840 -0.063 0.000 0.831 433 L CB 1.605 43.641 42.059 -0.039 0.000 1.253 433 L HN -0.183 nan 8.230 nan 0.000 0.406 434 N N 4.224 122.859 118.700 -0.108 0.000 2.407 434 N HA 0.763 5.503 4.740 0.000 0.000 0.277 434 N C -1.317 174.119 175.510 -0.122 0.000 0.995 434 N CA -0.370 52.602 53.050 -0.131 0.000 0.903 434 N CB 1.861 40.272 38.487 -0.127 0.000 1.218 434 N HN 0.373 nan 8.380 nan 0.000 0.487 435 L N 1.238 122.369 121.223 -0.153 0.000 2.365 435 L HA 0.910 5.250 4.340 0.000 0.000 0.273 435 L C -0.416 176.379 176.870 -0.125 0.000 1.000 435 L CA -1.070 53.679 54.840 -0.151 0.000 0.819 435 L CB 1.910 43.855 42.059 -0.189 0.000 1.284 435 L HN 0.488 nan 8.230 nan 0.000 0.418 436 A N 1.817 124.596 122.820 -0.069 0.000 2.356 436 A HA 0.713 5.033 4.320 0.000 0.000 0.310 436 A C -1.375 176.280 177.584 0.119 0.000 1.075 436 A CA -0.489 51.515 52.037 -0.055 0.000 0.746 436 A CB 0.771 19.711 19.000 -0.100 0.000 1.221 436 A HN 0.550 nan 8.150 nan 0.000 0.443 437 W N 2.151 123.392 121.300 -0.098 0.000 2.093 437 W HA 0.376 5.036 4.660 0.000 0.000 0.352 437 W C -1.930 174.529 176.519 -0.100 0.000 1.294 437 W CA -1.605 55.693 57.345 -0.077 0.000 1.290 437 W CB -0.305 29.121 29.460 -0.057 0.000 1.149 437 W HN 0.505 nan 8.180 nan 0.000 0.606 438 P HA -0.113 nan 4.420 nan 0.000 0.225 438 P C 1.191 178.552 177.300 0.102 0.000 1.148 438 P CA 1.955 65.108 63.100 0.087 0.000 0.779 438 P CB -0.025 31.744 31.700 0.114 0.000 0.780 439 T N -4.237 110.406 114.554 0.148 0.000 3.144 439 T HA 0.396 4.746 4.350 0.000 0.000 0.249 439 T C 0.836 175.590 174.700 0.091 0.000 1.089 439 T CA -0.367 61.809 62.100 0.128 0.000 0.989 439 T CB -0.494 68.466 68.868 0.154 0.000 0.992 439 T HN -0.008 nan 8.240 nan 0.000 0.540 440 A N 1.596 124.446 122.820 0.051 0.000 2.409 440 A HA 0.542 4.862 4.320 0.000 0.000 0.267 440 A C -0.135 177.435 177.584 -0.024 0.000 1.127 440 A CA -0.588 51.434 52.037 -0.026 0.000 0.795 440 A CB 0.176 19.132 19.000 -0.073 0.000 1.061 440 A HN 0.421 nan 8.150 nan 0.000 0.502 441 Q N 1.925 121.708 119.800 -0.030 0.000 2.431 441 Q HA 0.512 4.852 4.340 0.000 0.000 0.249 441 Q C -0.985 175.009 176.000 -0.010 0.000 1.025 441 Q CA 0.434 56.265 55.803 0.048 0.000 0.835 441 Q CB 1.077 29.931 28.738 0.194 0.000 1.207 441 Q HN 0.666 nan 8.270 nan 0.000 0.490 442 I N 2.139 122.705 120.570 -0.006 0.000 2.330 442 I HA 0.737 4.907 4.170 0.000 0.000 0.286 442 I C -0.205 175.911 176.117 -0.002 0.000 1.025 442 I CA -0.508 60.744 61.300 -0.079 0.000 1.197 442 I CB 0.894 38.793 38.000 -0.169 0.000 1.358 442 I HN 0.565 nan 8.210 nan 0.000 0.467 443 A N 4.772 127.668 122.820 0.127 0.000 2.583 443 A HA 0.603 4.923 4.320 0.000 0.000 0.289 443 A C 0.432 178.091 177.584 0.125 0.000 1.151 443 A CA -0.480 51.631 52.037 0.122 0.000 0.695 443 A CB 1.104 20.192 19.000 0.147 0.000 1.290 443 A HN 0.278 nan 8.150 nan 0.000 0.419 444 V N 0.176 120.115 119.914 0.042 0.000 2.358 444 V HA 0.015 4.135 4.120 0.000 0.000 0.246 444 V C 0.942 177.059 176.094 0.039 0.000 1.047 444 V CA 2.645 64.969 62.300 0.041 0.000 1.035 444 V CB -0.891 30.932 31.823 0.001 0.000 0.658 444 V HN 0.887 nan 8.190 nan 0.000 0.452 445 M N -2.721 116.828 119.600 -0.085 0.000 2.949 445 M HA 0.637 5.117 4.480 0.000 0.000 0.270 445 M C -0.056 175.916 176.300 -0.548 0.000 1.221 445 M CA -0.438 54.706 55.300 -0.259 0.000 0.818 445 M CB 1.303 33.818 32.600 -0.141 0.000 1.635 445 M HN 0.000 nan 8.290 nan 0.000 0.492 446 G N 0.247 108.619 108.800 -0.714 0.000 2.559 446 G HA2 0.396 4.356 3.960 0.000 0.000 0.235 446 G HA3 0.396 4.356 3.960 0.000 0.000 0.235 446 G C 0.825 175.540 174.900 -0.308 0.000 1.266 446 G CA 0.034 44.737 45.100 -0.662 0.000 0.847 446 G HN 1.094 nan 8.290 nan 0.000 0.583 447 A N 1.228 123.931 122.820 -0.195 0.000 1.884 447 A HA -0.218 4.102 4.320 0.000 0.000 0.219 447 A C 2.467 180.019 177.584 -0.052 0.000 1.197 447 A CA 2.474 54.472 52.037 -0.066 0.000 0.637 447 A CB -0.627 18.381 19.000 0.014 0.000 0.827 447 A HN 0.820 nan 8.150 nan 0.000 0.450 448 Q N -0.450 119.320 119.800 -0.051 0.000 1.985 448 Q HA -0.158 4.182 4.340 0.000 0.000 0.207 448 Q C 2.119 178.091 176.000 -0.048 0.000 0.996 448 Q CA 2.272 58.058 55.803 -0.029 0.000 0.851 448 Q CB -1.647 27.076 28.738 -0.025 0.000 0.921 448 Q HN 0.492 nan 8.270 nan 0.000 0.418 449 G N 1.400 110.153 108.800 -0.079 0.000 2.476 449 G HA2 -0.223 3.737 3.960 0.000 0.000 0.218 449 G HA3 -0.223 3.737 3.960 0.000 0.000 0.218 449 G C 1.688 176.534 174.900 -0.090 0.000 1.164 449 G CA 2.359 47.412 45.100 -0.078 0.000 0.768 449 G HN 0.671 nan 8.290 nan 0.000 0.560 450 A N 0.052 122.799 122.820 -0.122 0.000 1.852 450 A HA -0.087 4.233 4.320 0.000 0.000 0.217 450 A C 2.585 180.072 177.584 -0.160 0.000 1.215 450 A CA 2.602 54.547 52.037 -0.154 0.000 0.641 450 A CB -1.023 17.863 19.000 -0.190 0.000 0.838 450 A HN 0.414 nan 8.150 nan 0.000 0.450 451 V N 0.755 120.590 119.914 -0.130 0.000 2.719 451 V HA -0.135 3.985 4.120 0.000 0.000 0.252 451 V C 2.156 178.246 176.094 -0.006 0.000 1.065 451 V CA 1.755 64.010 62.300 -0.076 0.000 1.086 451 V CB -1.158 30.724 31.823 0.099 0.000 0.700 451 V HN 0.749 nan 8.190 nan 0.000 0.467 452 N N 0.750 119.443 118.700 -0.012 0.000 2.588 452 N HA -0.163 4.577 4.740 0.000 0.000 0.190 452 N C 1.298 176.797 175.510 -0.018 0.000 1.094 452 N CA 1.807 54.855 53.050 -0.003 0.000 0.921 452 N CB -0.080 38.401 38.487 -0.010 0.000 0.959 452 N HN 0.745 nan 8.380 nan 0.000 0.448 453 I N -3.789 116.752 120.570 -0.047 0.000 4.228 453 I HA 0.213 4.383 4.170 0.000 0.000 0.298 453 I C 1.388 177.453 176.117 -0.086 0.000 1.206 453 I CA -0.239 61.028 61.300 -0.055 0.000 1.322 453 I CB -0.302 37.662 38.000 -0.060 0.000 1.411 453 I HN -0.069 nan 8.210 nan 0.000 0.454 454 L N -0.356 120.771 121.223 -0.160 0.000 2.313 454 L HA 0.274 4.614 4.340 0.000 0.000 0.214 454 L C 1.001 177.658 176.870 -0.356 0.000 1.119 454 L CA 1.465 56.143 54.840 -0.271 0.000 0.809 454 L CB -1.187 40.643 42.059 -0.382 0.000 0.933 454 L HN 0.199 nan 8.230 nan 0.000 0.449 455 H N 1.679 120.723 119.070 -0.043 0.000 2.375 455 H HA 0.314 4.870 4.556 0.000 0.000 0.230 455 H C 0.825 176.152 175.328 -0.002 0.000 1.511 455 H CA -0.071 55.975 56.048 -0.003 0.000 1.215 455 H CB 0.387 30.169 29.762 0.033 0.000 1.580 455 H HN 0.488 nan 8.280 nan 0.000 0.537 456 R N 0.918 121.457 120.500 0.065 0.000 2.075 456 R HA -0.099 4.241 4.340 0.000 0.000 0.232 456 R C 1.523 177.853 176.300 0.050 0.000 1.126 456 R CA 0.852 56.976 56.100 0.041 0.000 0.963 456 R CB -0.300 30.008 30.300 0.012 0.000 0.858 456 R HN 0.218 nan 8.270 nan 0.000 0.435 457 R N 1.130 121.666 120.500 0.059 0.000 2.397 457 R HA 0.007 4.347 4.340 0.000 0.000 0.213 457 R C -0.161 176.164 176.300 0.043 0.000 1.102 457 R CA 1.174 57.302 56.100 0.047 0.000 1.040 457 R CB -0.332 29.997 30.300 0.049 0.000 0.844 457 R HN 0.070 nan 8.270 nan 0.000 0.478 458 T N 0.408 114.993 114.554 0.051 0.000 3.375 458 T HA 0.417 4.767 4.350 0.000 0.000 0.363 458 T C 0.583 175.300 174.700 0.028 0.000 1.837 458 T CA -0.514 61.605 62.100 0.032 0.000 1.445 458 T CB 0.263 69.144 68.868 0.021 0.000 1.089 458 T HN 0.108 nan 8.240 nan 0.000 0.722 459 I N 0.548 121.131 120.570 0.022 0.000 4.083 459 I HA 0.299 4.469 4.170 0.000 0.000 0.240 459 I C 2.338 178.462 176.117 0.012 0.000 1.088 459 I CA -0.183 61.128 61.300 0.018 0.000 1.651 459 I CB -0.251 37.758 38.000 0.016 0.000 1.573 459 I HN 0.439 nan 8.210 nan 0.000 0.451 460 A N -0.290 122.536 122.820 0.011 0.000 2.169 460 A HA 0.005 4.325 4.320 0.000 0.000 0.212 460 A C 0.509 178.097 177.584 0.007 0.000 1.153 460 A CA 0.273 52.315 52.037 0.008 0.000 0.756 460 A CB -0.732 18.272 19.000 0.007 0.000 0.813 460 A HN 0.387 nan 8.150 nan 0.000 0.471 461 D N -0.191 120.214 120.400 0.009 0.000 2.506 461 D HA 0.329 4.969 4.640 0.000 0.000 0.234 461 D C 0.884 177.187 176.300 0.005 0.000 1.143 461 D CA 1.349 55.354 54.000 0.008 0.000 0.871 461 D CB 0.259 41.066 40.800 0.011 0.000 1.190 461 D HN 0.686 nan 8.370 nan 0.000 0.459 462 A N 2.888 125.709 122.820 0.002 0.000 2.415 462 A HA -0.183 4.137 4.320 0.000 0.000 0.292 462 A C 1.794 179.378 177.584 0.001 0.000 1.452 462 A CA 1.087 53.123 52.037 -0.000 0.000 0.750 462 A CB -1.857 17.141 19.000 -0.003 0.000 1.099 462 A HN 0.859 nan 8.150 nan 0.000 0.391 463 G N 0.298 109.099 108.800 0.002 0.000 2.808 463 G HA2 -0.419 3.541 3.960 0.000 0.000 0.225 463 G HA3 -0.419 3.541 3.960 0.000 0.000 0.225 463 G C 1.075 175.977 174.900 0.003 0.000 1.210 463 G CA 1.573 46.675 45.100 0.003 0.000 0.777 463 G HN 0.715 nan 8.290 nan 0.000 0.640 464 D N 1.243 121.644 120.400 0.002 0.000 2.120 464 D HA -0.060 4.580 4.640 0.000 0.000 0.202 464 D C 2.033 178.334 176.300 0.001 0.000 0.972 464 D CA 1.238 55.239 54.000 0.002 0.000 0.837 464 D CB -0.575 40.226 40.800 0.001 0.000 0.989 464 D HN 0.521 nan 8.370 nan 0.000 0.469 465 D N 1.064 121.463 120.400 -0.000 0.000 2.368 465 D HA -0.002 4.638 4.640 0.000 0.000 0.250 465 D C 1.410 177.709 176.300 -0.002 0.000 1.142 465 D CA 0.126 54.125 54.000 -0.002 0.000 0.925 465 D CB -0.041 40.757 40.800 -0.004 0.000 0.896 465 D HN 0.075 nan 8.370 nan 0.000 0.525 466 A N 0.933 123.754 122.820 0.001 0.000 1.898 466 A HA -0.150 4.170 4.320 0.000 0.000 0.214 466 A C 2.182 179.769 177.584 0.005 0.000 1.183 466 A CA 0.675 52.714 52.037 0.003 0.000 0.622 466 A CB -0.349 18.654 19.000 0.006 0.000 0.824 466 A HN 0.083 nan 8.150 nan 0.000 0.444 467 E N 0.053 120.256 120.200 0.006 0.000 2.171 467 E HA -0.198 4.152 4.350 0.000 0.000 0.197 467 E C 1.948 178.552 176.600 0.006 0.000 0.997 467 E CA 1.359 57.763 56.400 0.007 0.000 0.810 467 E CB -0.187 29.517 29.700 0.006 0.000 0.738 467 E HN 0.541 nan 8.360 nan 0.000 0.467 468 A N -0.654 122.168 122.820 0.003 0.000 2.169 468 A HA 0.052 4.372 4.320 0.000 0.000 0.210 468 A C 2.173 179.755 177.584 -0.004 0.000 1.168 468 A CA 0.658 52.695 52.037 -0.000 0.000 0.813 468 A CB 0.021 19.019 19.000 -0.002 0.000 0.861 468 A HN 0.125 nan 8.150 nan 0.000 0.481 469 T N -0.408 114.143 114.554 -0.005 0.000 2.904 469 T HA -0.066 4.284 4.350 0.000 0.000 0.267 469 T C 2.045 176.739 174.700 -0.010 0.000 1.059 469 T CA 1.722 63.814 62.100 -0.013 0.000 1.137 469 T CB -0.074 68.786 68.868 -0.013 0.000 0.879 469 T HN 0.517 nan 8.240 nan 0.000 0.467 470 R N 0.961 121.465 120.500 0.008 0.000 2.225 470 R HA 0.427 4.767 4.340 0.000 0.000 0.194 470 R C 2.180 178.501 176.300 0.036 0.000 0.957 470 R CA 0.940 57.057 56.100 0.028 0.000 1.042 470 R CB -0.611 29.711 30.300 0.036 0.000 1.004 470 R HN 0.190 nan 8.270 nan 0.000 0.509 471 A N 1.297 124.131 122.820 0.022 0.000 1.972 471 A HA -0.140 4.180 4.320 0.000 0.000 0.219 471 A C 2.134 179.730 177.584 0.021 0.000 1.169 471 A CA 1.499 53.550 52.037 0.023 0.000 0.635 471 A CB -0.576 18.432 19.000 0.014 0.000 0.810 471 A HN 0.385 nan 8.150 nan 0.000 0.446 472 R N -0.312 120.193 120.500 0.009 0.000 2.100 472 R HA 0.098 4.438 4.340 0.000 0.000 0.220 472 R C 1.742 178.039 176.300 -0.005 0.000 1.091 472 R CA 1.001 57.097 56.100 -0.006 0.000 0.986 472 R CB -0.388 29.898 30.300 -0.023 0.000 0.888 472 R HN 0.464 nan 8.270 nan 0.000 0.444 473 L N 0.904 122.137 121.223 0.017 0.000 2.191 473 L HA -0.147 4.193 4.340 0.000 0.000 0.212 473 L C 2.465 179.460 176.870 0.210 0.000 1.103 473 L CA 0.934 55.821 54.840 0.077 0.000 0.769 473 L CB -0.260 41.872 42.059 0.122 0.000 0.908 473 L HN 0.255 nan 8.230 nan 0.000 0.438 474 I N -0.119 120.536 120.570 0.141 0.000 2.099 474 I HA -0.323 3.847 4.170 0.000 0.000 0.239 474 I C 2.675 178.866 176.117 0.124 0.000 1.066 474 I CA 1.700 63.081 61.300 0.135 0.000 1.324 474 I CB -0.301 37.742 38.000 0.072 0.000 1.037 474 I HN 0.455 nan 8.210 nan 0.000 0.401 475 Q N 0.502 120.342 119.800 0.066 0.000 2.451 475 Q HA -0.131 4.209 4.340 0.000 0.000 0.206 475 Q C 1.397 177.400 176.000 0.004 0.000 0.947 475 Q CA 0.806 56.635 55.803 0.044 0.000 0.937 475 Q CB 0.078 28.833 28.738 0.028 0.000 1.025 475 Q HN 0.429 nan 8.270 nan 0.000 0.511 476 E N -0.071 120.101 120.200 -0.047 0.000 2.274 476 E HA -0.092 4.258 4.350 0.000 0.000 0.194 476 E C 0.912 177.336 176.600 -0.294 0.000 0.996 476 E CA 0.825 57.107 56.400 -0.196 0.000 0.840 476 E CB -0.067 29.448 29.700 -0.309 0.000 0.772 476 E HN 0.497 nan 8.360 nan 0.000 0.491 477 Y N 0.835 121.155 120.300 0.034 0.000 2.353 477 Y HA 0.024 4.574 4.550 0.000 0.000 0.294 477 Y C 2.225 178.147 175.900 0.038 0.000 1.135 477 Y CA 0.883 59.007 58.100 0.040 0.000 1.176 477 Y CB -0.089 38.399 38.460 0.046 0.000 1.124 477 Y HN 0.095 nan 8.280 nan 0.000 0.537 478 E N -0.163 120.147 120.200 0.183 0.000 2.409 478 E HA -0.139 4.211 4.350 0.000 0.000 0.198 478 E C -0.331 176.328 176.600 0.098 0.000 1.024 478 E CA 1.172 57.649 56.400 0.128 0.000 0.861 478 E CB -0.318 29.446 29.700 0.106 0.000 0.788 478 E HN 0.247 nan 8.360 nan 0.000 0.521 479 D N 0.491 120.930 120.400 0.065 0.000 2.943 479 D HA 0.405 5.045 4.640 0.000 0.000 0.249 479 D C -0.106 176.211 176.300 0.028 0.000 1.231 479 D CA 0.438 54.459 54.000 0.036 0.000 0.979 479 D CB 0.907 41.708 40.800 0.001 0.000 1.053 479 D HN 0.322 nan 8.370 nan 0.000 0.504 480 A N -0.241 122.620 122.820 0.067 0.000 2.573 480 A HA -0.061 4.259 4.320 0.000 0.000 0.217 480 A C 0.452 178.105 177.584 0.115 0.000 2.836 480 A CA -0.178 51.901 52.037 0.070 0.000 1.577 480 A CB -1.025 17.994 19.000 0.033 0.000 0.173 480 A HN 0.303 nan 8.150 nan 0.000 0.555 481 L N -1.791 119.513 121.223 0.135 0.000 2.463 481 L HA 0.485 4.825 4.340 0.000 0.000 0.208 481 L C -0.007 176.940 176.870 0.128 0.000 1.082 481 L CA 0.819 55.740 54.840 0.134 0.000 0.997 481 L CB 0.082 42.234 42.059 0.154 0.000 1.953 481 L HN 0.220 nan 8.230 nan 0.000 0.499 482 L N 2.872 124.180 121.223 0.140 0.000 2.544 482 L HA 0.217 4.557 4.340 0.000 0.000 0.240 482 L C -0.376 176.581 176.870 0.145 0.000 1.421 482 L CA 0.261 55.198 54.840 0.161 0.000 1.206 482 L CB -2.069 40.099 42.059 0.181 0.000 1.463 482 L HN 0.495 nan 8.230 nan 0.000 0.437 483 N N -1.466 117.313 118.700 0.132 0.000 2.416 483 N HA 0.521 5.261 4.740 0.000 0.000 0.276 483 N C -2.517 172.990 175.510 -0.004 0.000 1.261 483 N CA -1.842 51.285 53.050 0.128 0.000 0.790 483 N CB 1.257 39.954 38.487 0.349 0.000 1.554 483 N HN -0.242 nan 8.380 nan 0.000 0.481 484 P HA -0.015 nan 4.420 nan 0.000 0.242 484 P C 0.199 177.337 177.300 -0.269 0.000 1.197 484 P CA 0.838 63.765 63.100 -0.289 0.000 0.765 484 P CB -0.064 31.387 31.700 -0.415 0.000 0.936 485 Y N 0.198 120.504 120.300 0.011 0.000 2.337 485 Y HA -0.060 4.490 4.550 0.000 0.000 0.293 485 Y C 2.640 178.526 175.900 -0.024 0.000 1.123 485 Y CA 1.317 59.416 58.100 -0.000 0.000 1.201 485 Y CB -1.550 36.914 38.460 0.008 0.000 1.011 485 Y HN -0.072 nan 8.280 nan 0.000 0.545 486 T N 0.252 114.866 114.554 0.101 0.000 2.622 486 T HA -0.271 4.079 4.350 0.000 0.000 0.266 486 T C 2.332 176.984 174.700 -0.080 0.000 1.047 486 T CA 1.660 63.766 62.100 0.010 0.000 1.159 486 T CB -0.839 68.031 68.868 0.003 0.000 0.863 486 T HN 0.422 nan 8.240 nan 0.000 0.422 487 A N 1.581 124.353 122.820 -0.079 0.000 1.997 487 A HA -0.031 4.289 4.320 0.000 0.000 0.221 487 A C 2.618 180.148 177.584 -0.089 0.000 1.172 487 A CA 2.158 54.138 52.037 -0.096 0.000 0.645 487 A CB -1.176 17.828 19.000 0.007 0.000 0.813 487 A HN 0.558 nan 8.150 nan 0.000 0.454 488 A N -0.115 122.680 122.820 -0.042 0.000 1.877 488 A HA -0.170 4.150 4.320 0.000 0.000 0.216 488 A C 1.862 179.436 177.584 -0.016 0.000 1.186 488 A CA 1.764 53.798 52.037 -0.006 0.000 0.620 488 A CB -0.576 18.455 19.000 0.052 0.000 0.822 488 A HN 0.607 nan 8.150 nan 0.000 0.443 489 E N -0.554 119.629 120.200 -0.028 0.000 2.204 489 E HA -0.123 4.227 4.350 0.000 0.000 0.195 489 E C 1.885 178.435 176.600 -0.083 0.000 0.990 489 E CA 0.853 57.232 56.400 -0.035 0.000 0.821 489 E CB -0.057 29.625 29.700 -0.029 0.000 0.750 489 E HN 0.286 nan 8.360 nan 0.000 0.477 490 R N -0.331 120.046 120.500 -0.204 0.000 2.310 490 R HA 0.096 4.436 4.340 0.000 0.000 0.202 490 R C 1.064 177.309 176.300 -0.092 0.000 0.933 490 R CA 0.733 56.660 56.100 -0.289 0.000 1.054 490 R CB -0.087 29.677 30.300 -0.893 0.000 0.985 490 R HN 0.300 nan 8.270 nan 0.000 0.489 491 G N 0.940 109.725 108.800 -0.025 0.000 2.198 491 G HA2 -0.320 3.640 3.960 0.000 0.000 0.260 491 G HA3 -0.320 3.640 3.960 0.000 0.000 0.260 491 G C 0.694 175.726 174.900 0.222 0.000 1.025 491 G CA 0.509 45.658 45.100 0.082 0.000 0.769 491 G HN 0.503 nan 8.290 nan 0.000 0.507 492 Y N -1.238 119.085 120.300 0.039 0.000 2.373 492 Y HA 0.140 4.690 4.550 0.000 0.000 0.293 492 Y C 1.572 177.459 175.900 -0.022 0.000 1.129 492 Y CA 0.616 58.735 58.100 0.032 0.000 1.226 492 Y CB 0.387 38.933 38.460 0.144 0.000 1.000 492 Y HN 0.230 nan 8.280 nan 0.000 0.549 493 V N 0.724 120.722 119.914 0.141 0.000 2.555 493 V HA 0.038 4.158 4.120 0.000 0.000 0.302 493 V C 0.132 176.235 176.094 0.015 0.000 1.038 493 V CA -0.737 61.585 62.300 0.037 0.000 0.887 493 V CB 1.818 33.642 31.823 0.002 0.000 0.991 493 V HN 0.163 nan 8.190 nan 0.000 0.434 494 D N 2.643 123.035 120.400 -0.015 0.000 2.269 494 D HA 0.216 4.856 4.640 0.000 0.000 0.208 494 D C 0.518 176.814 176.300 -0.005 0.000 0.963 494 D CA 1.302 55.298 54.000 -0.007 0.000 0.864 494 D CB 0.782 41.570 40.800 -0.020 0.000 0.936 494 D HN 0.688 nan 8.370 nan 0.000 0.505 495 A N -0.408 122.393 122.820 -0.032 0.000 2.583 495 A HA 0.431 4.751 4.320 0.000 0.000 0.292 495 A C -1.334 176.224 177.584 -0.042 0.000 1.045 495 A CA -0.701 51.326 52.037 -0.017 0.000 0.672 495 A CB 0.952 19.952 19.000 0.001 0.000 1.283 495 A HN -0.121 nan 8.150 nan 0.000 0.419 496 V N 1.369 121.277 119.914 -0.009 0.000 2.472 496 V HA 0.730 4.850 4.120 0.000 0.000 0.290 496 V C -0.313 175.810 176.094 0.047 0.000 1.037 496 V CA -0.164 62.125 62.300 -0.019 0.000 0.908 496 V CB 0.833 32.609 31.823 -0.079 0.000 0.985 496 V HN 1.186 nan 8.190 nan 0.000 0.454 497 I N 1.350 121.963 120.570 0.071 0.000 2.918 497 I HA 0.574 4.744 4.170 0.000 0.000 0.301 497 I C -0.546 175.585 176.117 0.024 0.000 1.312 497 I CA -1.216 60.138 61.300 0.090 0.000 1.007 497 I CB 1.610 39.689 38.000 0.130 0.000 1.281 497 I HN 0.321 nan 8.210 nan 0.000 0.440 498 M N 3.420 123.004 119.600 -0.025 0.000 2.250 498 M HA 0.153 4.633 4.480 0.000 0.000 0.337 498 M C -1.503 174.568 176.300 -0.382 0.000 1.161 498 M CA -1.349 53.850 55.300 -0.169 0.000 1.088 498 M CB -0.235 32.302 32.600 -0.106 0.000 1.639 498 M HN 0.498 nan 8.290 nan 0.000 0.447 499 P HA -0.103 nan 4.420 nan 0.000 0.220 499 P C 1.282 178.251 177.300 -0.552 0.000 1.148 499 P CA 1.292 63.534 63.100 -1.429 0.000 0.803 499 P CB 0.000 30.632 31.700 -1.781 0.000 0.782 500 S N -1.600 113.909 115.700 -0.319 0.000 2.515 500 S HA -0.086 4.384 4.470 0.000 0.000 0.231 500 S C 1.180 175.760 174.600 -0.032 0.000 0.987 500 S CA 0.965 59.085 58.200 -0.134 0.000 0.936 500 S CB -0.877 62.262 63.200 -0.101 0.000 0.766 500 S HN 0.033 nan 8.310 nan 0.000 0.528 501 D N 1.506 121.906 120.400 -0.001 0.000 2.369 501 D HA 0.112 4.752 4.640 0.000 0.000 0.211 501 D C 1.974 178.409 176.300 0.226 0.000 1.077 501 D CA 0.923 54.979 54.000 0.094 0.000 0.842 501 D CB 0.126 40.989 40.800 0.106 0.000 0.947 501 D HN 0.676 nan 8.370 nan 0.000 0.509 502 T N -1.374 113.331 114.554 0.251 0.000 2.746 502 T HA -0.197 4.153 4.350 0.000 0.000 0.267 502 T C 1.985 176.858 174.700 0.288 0.000 1.039 502 T CA 0.842 63.158 62.100 0.359 0.000 1.142 502 T CB 0.062 69.242 68.868 0.521 0.000 0.866 502 T HN 0.051 nan 8.240 nan 0.000 0.444 503 R N 0.972 121.609 120.500 0.229 0.000 2.083 503 R HA -0.061 4.279 4.340 0.000 0.000 0.237 503 R C 2.882 179.267 176.300 0.142 0.000 1.137 503 R CA 1.388 57.600 56.100 0.186 0.000 0.951 503 R CB -0.193 30.199 30.300 0.154 0.000 0.851 503 R HN 0.448 nan 8.270 nan 0.000 0.434 504 R N -1.031 119.529 120.500 0.100 0.000 2.091 504 R HA -0.164 4.176 4.340 0.000 0.000 0.238 504 R C 2.257 178.577 176.300 0.032 0.000 1.136 504 R CA 1.945 58.067 56.100 0.037 0.000 0.959 504 R CB -0.640 29.646 30.300 -0.024 0.000 0.856 504 R HN 0.500 nan 8.270 nan 0.000 0.437 505 H N 0.475 119.589 119.070 0.073 0.000 2.321 505 H HA -0.061 4.495 4.556 0.000 0.000 0.300 505 H C 2.169 177.534 175.328 0.061 0.000 1.087 505 H CA 1.818 57.906 56.048 0.066 0.000 1.319 505 H CB -0.019 29.790 29.762 0.078 0.000 1.379 505 H HN 0.083 nan 8.280 nan 0.000 0.501 506 I N -0.409 120.290 120.570 0.215 0.000 2.208 506 I HA -0.283 3.887 4.170 0.000 0.000 0.245 506 I C 2.159 178.345 176.117 0.116 0.000 1.097 506 I CA 0.869 62.254 61.300 0.142 0.000 1.363 506 I CB -0.185 37.906 38.000 0.153 0.000 1.051 506 I HN 0.129 nan 8.210 nan 0.000 0.413 507 V N 0.982 120.961 119.914 0.109 0.000 2.261 507 V HA -0.285 3.835 4.120 0.000 0.000 0.246 507 V C 2.572 178.706 176.094 0.067 0.000 1.047 507 V CA 1.954 64.305 62.300 0.084 0.000 1.015 507 V CB -0.720 31.144 31.823 0.069 0.000 0.642 507 V HN 0.389 nan 8.190 nan 0.000 0.446 508 R N -0.009 120.527 120.500 0.059 0.000 2.075 508 R HA -0.056 4.284 4.340 0.000 0.000 0.232 508 R C 2.487 178.821 176.300 0.057 0.000 1.126 508 R CA 1.347 57.473 56.100 0.044 0.000 0.963 508 R CB -0.898 29.412 30.300 0.017 0.000 0.858 508 R HN 0.581 nan 8.270 nan 0.000 0.435 509 G N 1.877 110.724 108.800 0.078 0.000 2.459 509 G HA2 -0.240 3.720 3.960 0.000 0.000 0.217 509 G HA3 -0.240 3.720 3.960 0.000 0.000 0.217 509 G C 1.514 176.446 174.900 0.053 0.000 1.183 509 G CA 0.545 45.686 45.100 0.069 0.000 0.776 509 G HN 0.110 nan 8.290 nan 0.000 0.552 510 L N -0.205 121.054 121.223 0.059 0.000 2.081 510 L HA -0.141 4.199 4.340 0.000 0.000 0.212 510 L C 3.168 180.067 176.870 0.048 0.000 1.080 510 L CA 1.228 56.101 54.840 0.056 0.000 0.754 510 L CB -0.413 41.688 42.059 0.069 0.000 0.893 510 L HN 0.183 nan 8.230 nan 0.000 0.433 511 R N -0.381 120.147 120.500 0.046 0.000 2.082 511 R HA -0.243 4.097 4.340 0.000 0.000 0.234 511 R C 2.386 178.705 176.300 0.031 0.000 1.136 511 R CA 1.858 57.980 56.100 0.037 0.000 0.935 511 R CB -0.344 29.977 30.300 0.034 0.000 0.842 511 R HN 0.245 nan 8.270 nan 0.000 0.430 512 Q N 0.226 120.045 119.800 0.032 0.000 2.084 512 Q HA -0.103 4.237 4.340 0.000 0.000 0.202 512 Q C 1.680 177.695 176.000 0.025 0.000 0.978 512 Q CA 1.253 57.073 55.803 0.027 0.000 0.844 512 Q CB -0.022 28.734 28.738 0.029 0.000 0.898 512 Q HN 0.121 nan 8.270 nan 0.000 0.426 513 L N 0.186 121.426 121.223 0.028 0.000 2.478 513 L HA 0.026 4.366 4.340 0.000 0.000 0.223 513 L C 1.729 178.614 176.870 0.025 0.000 1.140 513 L CA 1.206 56.060 54.840 0.025 0.000 0.842 513 L CB -0.380 41.695 42.059 0.027 0.000 0.953 513 L HN 0.149 nan 8.230 nan 0.000 0.452 514 R N -0.802 119.714 120.500 0.027 0.000 2.200 514 R HA -0.118 4.222 4.340 0.000 0.000 0.234 514 R C 1.414 177.726 176.300 0.019 0.000 1.127 514 R CA 1.649 57.765 56.100 0.026 0.000 0.989 514 R CB -0.382 29.933 30.300 0.026 0.000 0.869 514 R HN 0.529 nan 8.270 nan 0.000 0.459 515 T N -1.405 113.159 114.554 0.016 0.000 3.105 515 T HA 0.078 4.428 4.350 0.000 0.000 0.253 515 T C 0.324 175.030 174.700 0.010 0.000 1.047 515 T CA -0.518 61.589 62.100 0.012 0.000 0.944 515 T CB -0.006 68.868 68.868 0.010 0.000 1.016 515 T HN 0.135 nan 8.240 nan 0.000 0.544 516 K N 2.044 122.450 120.400 0.011 0.000 2.368 516 K HA 0.425 4.745 4.320 0.000 0.000 0.282 516 K C -0.200 176.403 176.600 0.004 0.000 1.035 516 K CA -0.528 55.763 56.287 0.007 0.000 0.973 516 K CB 0.498 33.002 32.500 0.007 0.000 0.957 516 K HN 0.310 nan 8.250 nan 0.000 0.474 517 R N 0.789 121.290 120.500 0.001 0.000 2.836 517 R HA 0.608 4.948 4.340 0.000 0.000 0.269 517 R C -1.137 175.160 176.300 -0.005 0.000 1.010 517 R CA -0.961 55.138 56.100 -0.003 0.000 0.930 517 R CB 1.270 31.568 30.300 -0.002 0.000 1.218 517 R HN 0.879 nan 8.270 nan 0.000 0.473 518 E N -0.066 120.128 120.200 -0.009 0.000 2.398 518 E HA 0.324 4.674 4.350 0.000 0.000 0.280 518 E C -1.445 175.146 176.600 -0.014 0.000 1.122 518 E CA -0.751 55.642 56.400 -0.011 0.000 0.873 518 E CB 1.180 30.873 29.700 -0.012 0.000 1.294 518 E HN 0.497 nan 8.360 nan 0.000 0.435 519 S N -0.407 115.284 115.700 -0.015 0.000 2.786 519 S HA 0.934 5.404 4.470 0.000 0.000 0.307 519 S C -0.301 174.287 174.600 -0.020 0.000 1.121 519 S CA -0.208 57.982 58.200 -0.016 0.000 0.975 519 S CB 0.905 64.097 63.200 -0.014 0.000 1.220 519 S HN 0.694 nan 8.310 nan 0.000 0.550 520 L N -1.165 120.046 121.223 -0.020 0.000 3.133 520 L HA 0.665 5.005 4.340 0.000 0.000 0.280 520 L C -3.013 173.844 176.870 -0.021 0.000 1.009 520 L CA -1.654 53.172 54.840 -0.023 0.000 0.982 520 L CB 0.530 42.570 42.059 -0.032 0.000 1.530 520 L HN 0.410 nan 8.230 nan 0.000 0.394 521 P HA 0.496 nan 4.420 nan 0.000 0.279 521 P C -2.661 174.627 177.300 -0.020 0.000 1.239 521 P CA -0.962 62.126 63.100 -0.019 0.000 0.789 521 P CB -0.190 31.498 31.700 -0.019 0.000 0.933 522 P HA 0.215 nan 4.420 nan 0.000 0.268 522 P C -0.516 176.766 177.300 -0.029 0.000 1.205 522 P CA 0.038 63.125 63.100 -0.021 0.000 0.771 522 P CB 0.373 32.061 31.700 -0.020 0.000 0.858 523 K N 0.172 120.553 120.400 -0.033 0.000 2.546 523 K HA 0.382 4.702 4.320 0.000 0.000 0.264 523 K C 0.161 176.721 176.600 -0.066 0.000 0.937 523 K CA -1.075 55.176 56.287 -0.060 0.000 0.833 523 K CB 1.893 34.362 32.500 -0.052 0.000 1.378 523 K HN -0.063 nan 8.250 nan 0.000 0.432 524 K N 0.382 120.705 120.400 -0.128 0.000 2.044 524 K HA -0.189 4.131 4.320 0.000 0.000 0.210 524 K C 0.183 176.777 176.600 -0.010 0.000 1.049 524 K CA 2.313 58.538 56.287 -0.102 0.000 0.927 524 K CB -0.459 31.919 32.500 -0.203 0.000 0.713 524 K HN 0.868 nan 8.250 nan 0.000 0.443 525 H N -4.397 114.685 119.070 0.020 0.000 2.876 525 H HA 0.452 5.008 4.556 0.000 0.000 0.284 525 H C -0.360 175.000 175.328 0.054 0.000 1.445 525 H CA -0.786 55.281 56.048 0.032 0.000 1.141 525 H CB 0.438 30.213 29.762 0.020 0.000 1.816 525 H HN 0.052 nan 8.280 nan 0.000 0.511 526 G N -1.020 107.974 108.800 0.325 0.000 2.531 526 G HA2 0.339 4.299 3.960 0.000 0.000 0.313 526 G HA3 0.339 4.299 3.960 0.000 0.000 0.313 526 G C -0.577 174.500 174.900 0.295 0.000 1.238 526 G CA -0.730 44.554 45.100 0.308 0.000 0.994 526 G HN 0.728 nan 8.290 nan 0.000 0.493 527 N N -0.501 118.304 118.700 0.175 0.000 2.598 527 N HA 0.139 4.879 4.740 0.000 0.000 0.309 527 N C 0.016 175.429 175.510 -0.162 0.000 1.645 527 N CA -0.586 52.493 53.050 0.048 0.000 0.936 527 N CB -0.189 38.343 38.487 0.075 0.000 1.323 527 N HN 0.438 nan 8.380 nan 0.000 0.497 528 I N 1.191 121.470 120.570 -0.486 0.000 2.919 528 I HA 0.004 4.174 4.170 0.000 0.000 0.303 528 I C -1.590 174.282 176.117 -0.409 0.000 1.221 528 I CA -0.911 59.843 61.300 -0.908 0.000 1.444 528 I CB 0.641 38.034 38.000 -1.013 0.000 1.331 528 I HN 0.248 nan 8.210 nan 0.000 0.572 529 P HA 0.026 nan 4.420 nan 0.000 0.266 529 P C -0.882 176.330 177.300 -0.145 0.000 1.186 529 P CA 0.075 63.083 63.100 -0.153 0.000 0.767 529 P CB 0.523 32.166 31.700 -0.094 0.000 0.820 530 L N 0.000 121.164 121.223 -0.098 0.000 2.949 530 L HA 0.000 4.340 4.340 0.000 0.000 0.249 530 L CA 0.000 54.787 54.840 -0.088 0.000 0.813 530 L CB 0.000 42.001 42.059 -0.097 0.000 0.961 530 L HN 0.000 nan 8.230 nan 0.000 0.502