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 1w5e_1_B DATA FIRST_RESID 23 DATA SEQUENCE SPEDKELLEY LQQTKAKITV VGCGGAGNNT ITRLKMEGIE GAKTVAINTD DATA SEQUENCE AQQLIRTKAD KKILIGKKLT RGLGAGGNPK IGEEAAKESA EEIKAAIQDS DATA SEQUENCE DMVFITCGLG GGTGTGSAPV VAEISKKIGA LTVAVVTLPF VMEGKVRMKN DATA SEQUENCE AMEGLERLKQ HTDTLVVIPN EKLFEIVPNM PLKLAFKVAD EVLINAVKGL DATA SEQUENCE VELITKDGLI NVDFADVKAV MNNGGLAMIG IGESDSEKRA KEAVSMALNS DATA SEQUENCE PLLDVDIDGA TGALIHVMGP EDLTLEEARE VVATVSSRLD PNATIIYGAT DATA SEQUENCE IDENLENTVR VLLVITGVQS RIEFTDTGLK RKK 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 23 S HA 0.000 nan 4.470 nan 0.000 0.327 23 S C 0.000 174.603 174.600 0.006 0.000 1.055 23 S CA 0.000 58.203 58.200 0.005 0.000 1.107 23 S CB 0.000 63.203 63.200 0.005 0.000 0.593 24 P HA -0.048 nan 4.420 nan 0.000 0.211 24 P C 1.305 178.609 177.300 0.006 0.000 1.179 24 P CA 1.200 64.303 63.100 0.005 0.000 0.910 24 P CB 0.075 31.777 31.700 0.003 0.000 0.785 25 E N -0.563 119.640 120.200 0.005 0.000 2.204 25 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 25 E C 1.197 177.802 176.600 0.009 0.000 0.989 25 E CA 1.143 57.546 56.400 0.005 0.000 0.824 25 E CB -0.293 29.408 29.700 0.001 0.000 0.756 25 E HN 0.136 nan 8.360 nan 0.000 0.477 26 D N 0.771 121.177 120.400 0.010 0.000 2.091 26 D HA -0.162 4.478 4.640 -0.000 0.000 0.199 26 D C 1.899 178.211 176.300 0.021 0.000 0.980 26 D CA 1.786 55.795 54.000 0.015 0.000 0.831 26 D CB -0.044 40.762 40.800 0.011 0.000 0.987 26 D HN 0.280 nan 8.370 nan 0.000 0.460 27 K N 0.798 121.209 120.400 0.018 0.000 2.280 27 K HA -0.143 4.177 4.320 -0.000 0.000 0.202 27 K C 1.792 178.410 176.600 0.030 0.000 1.047 27 K CA 1.032 57.331 56.287 0.020 0.000 0.942 27 K CB -0.021 32.487 32.500 0.014 0.000 0.739 27 K HN 0.028 nan 8.250 nan 0.000 0.457 28 E N 1.603 121.820 120.200 0.029 0.000 2.152 28 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 28 E C 1.846 178.483 176.600 0.061 0.000 0.983 28 E CA 0.575 56.998 56.400 0.037 0.000 0.818 28 E CB 0.010 29.723 29.700 0.022 0.000 0.758 28 E HN 0.355 nan 8.360 nan 0.000 0.467 29 L N 1.584 122.840 121.223 0.054 0.000 2.044 29 L HA -0.107 4.233 4.340 -0.000 0.000 0.205 29 L C 2.470 179.412 176.870 0.120 0.000 1.075 29 L CA 1.059 55.946 54.840 0.077 0.000 0.747 29 L CB -1.126 40.960 42.059 0.044 0.000 0.903 29 L HN 0.248 nan 8.230 nan 0.000 0.435 30 L N 0.241 121.506 121.223 0.071 0.000 2.012 30 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 30 L C 2.300 179.194 176.870 0.040 0.000 1.073 30 L CA 1.916 56.786 54.840 0.049 0.000 0.748 30 L CB -0.885 41.188 42.059 0.025 0.000 0.891 30 L HN 0.378 nan 8.230 nan 0.000 0.431 31 E N -1.003 119.224 120.200 0.046 0.000 2.085 31 E HA -0.305 4.045 4.350 -0.000 0.000 0.194 31 E C 2.056 178.672 176.600 0.027 0.000 0.994 31 E CA 1.735 58.152 56.400 0.028 0.000 0.801 31 E CB -0.444 29.278 29.700 0.037 0.000 0.743 31 E HN 0.648 nan 8.360 nan 0.000 0.453 32 Y N 1.410 121.704 120.300 -0.009 0.000 2.139 32 Y HA -0.302 4.248 4.550 -0.000 0.000 0.282 32 Y C 2.011 177.903 175.900 -0.013 0.000 1.179 32 Y CA 1.453 59.548 58.100 -0.009 0.000 1.161 32 Y CB -0.476 37.980 38.460 -0.008 0.000 0.970 32 Y HN 0.040 nan 8.280 nan 0.000 0.511 33 L N 0.981 122.026 121.223 -0.296 0.000 1.943 33 L HA -0.273 4.067 4.340 -0.000 0.000 0.215 33 L C 2.467 179.165 176.870 -0.286 0.000 1.074 33 L CA 2.425 57.055 54.840 -0.349 0.000 0.759 33 L CB -1.173 40.827 42.059 -0.100 0.000 0.888 33 L HN 0.395 nan 8.230 nan 0.000 0.433 34 Q N -0.979 118.725 119.800 -0.160 0.000 2.308 34 Q HA -0.296 4.044 4.340 -0.000 0.000 0.209 34 Q C 1.879 177.789 176.000 -0.150 0.000 0.985 34 Q CA 1.651 57.377 55.803 -0.128 0.000 0.881 34 Q CB -0.306 28.386 28.738 -0.078 0.000 0.917 34 Q HN 0.757 nan 8.270 nan 0.000 0.443 35 Q N -0.335 119.359 119.800 -0.177 0.000 2.424 35 Q HA -0.018 4.322 4.340 -0.000 0.000 0.204 35 Q C 1.712 177.594 176.000 -0.196 0.000 0.933 35 Q CA 1.327 57.041 55.803 -0.148 0.000 0.929 35 Q CB -0.136 28.549 28.738 -0.088 0.000 1.037 35 Q HN 0.069 nan 8.270 nan 0.000 0.511 36 T N -0.444 113.927 114.554 -0.305 0.000 2.881 36 T HA -0.062 4.288 4.350 -0.000 0.000 0.270 36 T C -0.133 174.461 174.700 -0.176 0.000 1.068 36 T CA 1.486 63.414 62.100 -0.288 0.000 1.131 36 T CB 0.050 68.701 68.868 -0.361 0.000 0.871 36 T HN 0.565 nan 8.240 nan 0.000 0.479 37 K N -0.563 119.730 120.400 -0.179 0.000 2.571 37 K HA 0.769 5.089 4.320 -0.000 0.000 0.289 37 K C -1.294 175.157 176.600 -0.250 0.000 1.028 37 K CA -0.700 55.477 56.287 -0.183 0.000 0.895 37 K CB 0.788 33.199 32.500 -0.148 0.000 1.534 37 K HN -0.082 nan 8.250 nan 0.000 0.421 38 A N 0.700 123.299 122.820 -0.370 0.000 2.304 38 A HA 0.543 4.863 4.320 -0.000 0.000 0.301 38 A C -0.817 176.575 177.584 -0.320 0.000 1.132 38 A CA -0.741 50.978 52.037 -0.531 0.000 0.819 38 A CB 0.264 18.495 19.000 -1.282 0.000 1.094 38 A HN 0.527 nan 8.150 nan 0.000 0.492 39 K N 2.430 122.688 120.400 -0.236 0.000 2.250 39 K HA 0.313 4.633 4.320 -0.000 0.000 0.285 39 K C -0.792 175.772 176.600 -0.060 0.000 1.097 39 K CA -0.152 56.064 56.287 -0.118 0.000 0.913 39 K CB 0.375 32.829 32.500 -0.077 0.000 1.179 39 K HN 0.477 nan 8.250 nan 0.000 0.462 40 I N 2.579 123.138 120.570 -0.019 0.000 2.392 40 I HA 0.245 4.415 4.170 -0.000 0.000 0.295 40 I C 0.248 176.417 176.117 0.087 0.000 0.985 40 I CA -0.485 60.867 61.300 0.086 0.000 1.221 40 I CB 1.384 39.457 38.000 0.122 0.000 1.366 40 I HN 0.419 nan 8.210 nan 0.000 0.467 41 T N 5.154 119.794 114.554 0.143 0.000 2.949 41 T HA 0.435 4.785 4.350 -0.000 0.000 0.300 41 T C -0.273 174.525 174.700 0.163 0.000 0.988 41 T CA -0.437 61.727 62.100 0.106 0.000 0.993 41 T CB 1.969 70.877 68.868 0.066 0.000 0.984 41 T HN 0.214 nan 8.240 nan 0.000 0.442 42 V N 4.139 124.116 119.914 0.106 0.000 2.383 42 V HA 0.450 4.570 4.120 -0.000 0.000 0.275 42 V C -0.056 176.080 176.094 0.071 0.000 1.036 42 V CA -0.572 61.793 62.300 0.107 0.000 0.889 42 V CB 1.390 33.211 31.823 -0.004 0.000 0.985 42 V HN 0.714 nan 8.190 nan 0.000 0.459 43 V N 4.161 124.127 119.914 0.087 0.000 2.417 43 V HA 0.770 4.890 4.120 -0.000 0.000 0.291 43 V C 0.595 176.714 176.094 0.042 0.000 1.024 43 V CA -0.362 61.969 62.300 0.052 0.000 0.861 43 V CB 1.792 33.643 31.823 0.047 0.000 0.985 43 V HN 0.928 nan 8.190 nan 0.000 0.436 44 G N 2.848 111.660 108.800 0.021 0.000 2.478 44 G HA2 0.540 4.500 3.960 -0.000 0.000 0.317 44 G HA3 0.540 4.500 3.960 -0.000 0.000 0.317 44 G C -0.718 174.183 174.900 0.002 0.000 1.259 44 G CA -0.342 44.764 45.100 0.010 0.000 0.933 44 G HN 0.775 nan 8.290 nan 0.000 0.478 45 C N 1.325 120.625 119.300 -0.000 0.000 2.355 45 C HA 0.967 5.427 4.460 -0.000 0.000 0.332 45 C C 0.965 175.946 174.990 -0.014 0.000 1.255 45 C CA 0.331 59.347 59.018 -0.004 0.000 1.792 45 C CB 0.254 27.994 27.740 0.000 0.000 2.300 45 C HN 1.607 nan 8.230 nan 0.000 0.515 46 G N 2.292 111.083 108.800 -0.015 0.000 2.814 46 G HA2 0.204 4.164 3.960 -0.000 0.000 0.677 46 G HA3 0.204 4.164 3.960 -0.000 0.000 0.677 46 G C 0.773 175.653 174.900 -0.032 0.000 1.429 46 G CA -0.112 44.974 45.100 -0.022 0.000 0.868 46 G HN 1.479 nan 8.290 nan 0.000 0.553 47 G N 0.185 108.963 108.800 -0.037 0.000 2.556 47 G HA2 0.082 4.042 3.960 -0.000 0.000 0.220 47 G HA3 0.082 4.042 3.960 -0.000 0.000 0.220 47 G C 2.180 177.038 174.900 -0.069 0.000 1.156 47 G CA 3.321 48.393 45.100 -0.047 0.000 0.766 47 G HN 2.135 nan 8.290 nan 0.000 0.583 48 A N 0.736 123.499 122.820 -0.094 0.000 1.858 48 A HA 0.157 4.477 4.320 -0.000 0.000 0.216 48 A C 2.780 180.318 177.584 -0.077 0.000 1.190 48 A CA 2.297 54.262 52.037 -0.120 0.000 0.617 48 A CB -1.237 17.677 19.000 -0.144 0.000 0.827 48 A HN 0.650 nan 8.150 nan 0.000 0.443 49 G N -0.180 108.588 108.800 -0.054 0.000 2.421 49 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.216 49 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.216 49 G C 1.376 176.259 174.900 -0.029 0.000 1.171 49 G CA 1.225 46.304 45.100 -0.034 0.000 0.775 49 G HN 0.539 nan 8.290 nan 0.000 0.543 50 N N 0.886 119.569 118.700 -0.028 0.000 2.094 50 N HA -0.143 4.597 4.740 -0.000 0.000 0.191 50 N C 1.972 177.466 175.510 -0.026 0.000 1.023 50 N CA 1.438 54.474 53.050 -0.023 0.000 0.857 50 N CB -0.458 38.017 38.487 -0.021 0.000 1.013 50 N HN 0.411 nan 8.380 nan 0.000 0.426 51 N N -0.245 118.433 118.700 -0.036 0.000 2.069 51 N HA -0.096 4.644 4.740 -0.000 0.000 0.191 51 N C 1.365 176.856 175.510 -0.031 0.000 1.031 51 N CA 1.758 54.786 53.050 -0.036 0.000 0.852 51 N CB -0.463 37.992 38.487 -0.053 0.000 1.018 51 N HN 0.129 nan 8.380 nan 0.000 0.423 52 T N 1.160 115.693 114.554 -0.035 0.000 2.737 52 T HA -0.044 4.306 4.350 -0.000 0.000 0.265 52 T C 1.789 176.473 174.700 -0.028 0.000 1.038 52 T CA 0.934 63.016 62.100 -0.031 0.000 1.144 52 T CB -0.183 68.665 68.868 -0.032 0.000 0.866 52 T HN 0.143 nan 8.240 nan 0.000 0.434 53 I N 1.871 122.427 120.570 -0.024 0.000 2.113 53 I HA -0.219 3.951 4.170 -0.000 0.000 0.242 53 I C 2.661 178.766 176.117 -0.021 0.000 1.064 53 I CA 1.692 62.980 61.300 -0.021 0.000 1.320 53 I CB -1.892 36.099 38.000 -0.014 0.000 1.028 53 I HN 0.270 nan 8.210 nan 0.000 0.406 54 T N 0.734 115.277 114.554 -0.018 0.000 2.653 54 T HA -0.236 4.114 4.350 -0.000 0.000 0.268 54 T C 2.125 176.815 174.700 -0.017 0.000 1.035 54 T CA 1.427 63.518 62.100 -0.016 0.000 1.154 54 T CB -0.209 68.651 68.868 -0.014 0.000 0.862 54 T HN 0.251 nan 8.240 nan 0.000 0.441 55 R N 0.359 120.848 120.500 -0.019 0.000 2.080 55 R HA -0.039 4.301 4.340 -0.000 0.000 0.236 55 R C 2.558 178.845 176.300 -0.023 0.000 1.137 55 R CA 1.281 57.370 56.100 -0.019 0.000 0.943 55 R CB -0.831 29.457 30.300 -0.020 0.000 0.846 55 R HN 0.414 nan 8.270 nan 0.000 0.431 56 L N 0.686 121.891 121.223 -0.029 0.000 2.013 56 L HA -0.263 4.077 4.340 -0.000 0.000 0.212 56 L C 2.605 179.458 176.870 -0.029 0.000 1.073 56 L CA 1.588 56.407 54.840 -0.036 0.000 0.753 56 L CB -0.524 41.507 42.059 -0.047 0.000 0.890 56 L HN 0.116 nan 8.230 nan 0.000 0.432 57 K N 0.451 120.837 120.400 -0.024 0.000 1.991 57 K HA -0.178 4.142 4.320 -0.000 0.000 0.212 57 K C 2.075 178.665 176.600 -0.017 0.000 1.049 57 K CA 1.834 58.109 56.287 -0.020 0.000 0.932 57 K CB -0.286 32.205 32.500 -0.016 0.000 0.717 57 K HN 0.092 nan 8.250 nan 0.000 0.441 58 M N 0.257 119.848 119.600 -0.015 0.000 2.065 58 M HA -0.177 4.303 4.480 -0.000 0.000 0.259 58 M C 2.005 178.297 176.300 -0.013 0.000 1.069 58 M CA 1.954 57.246 55.300 -0.013 0.000 1.110 58 M CB -0.426 32.167 32.600 -0.011 0.000 1.328 58 M HN 0.223 nan 8.290 nan 0.000 0.405 59 E N 0.121 120.312 120.200 -0.016 0.000 2.472 59 E HA 0.075 4.425 4.350 -0.000 0.000 0.200 59 E C 0.437 177.027 176.600 -0.017 0.000 1.046 59 E CA 0.178 56.568 56.400 -0.016 0.000 0.871 59 E CB -0.128 29.561 29.700 -0.019 0.000 0.806 59 E HN 0.620 nan 8.360 nan 0.000 0.533 60 G N 1.718 110.507 108.800 -0.019 0.000 3.137 60 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.686 60 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.686 60 G C -0.853 174.032 174.900 -0.025 0.000 0.988 60 G CA -0.379 44.709 45.100 -0.020 0.000 0.789 60 G HN 0.137 nan 8.290 nan 0.000 0.544 61 I N 1.510 122.062 120.570 -0.029 0.000 2.411 61 I HA 0.539 4.709 4.170 -0.000 0.000 0.284 61 I C 0.299 176.396 176.117 -0.034 0.000 1.012 61 I CA -1.303 59.974 61.300 -0.039 0.000 1.119 61 I CB 1.497 39.464 38.000 -0.054 0.000 1.261 61 I HN 0.645 nan 8.210 nan 0.000 0.448 62 E N 5.664 125.847 120.200 -0.028 0.000 2.417 62 E HA 0.338 4.688 4.350 -0.000 0.000 0.261 62 E C 1.111 177.693 176.600 -0.030 0.000 1.000 62 E CA 1.036 57.421 56.400 -0.024 0.000 0.919 62 E CB 0.270 29.962 29.700 -0.014 0.000 0.955 62 E HN 0.988 nan 8.360 nan 0.000 0.455 63 G N 2.826 111.607 108.800 -0.031 0.000 2.258 63 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.274 63 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.274 63 G C -0.059 174.821 174.900 -0.034 0.000 1.021 63 G CA 0.389 45.467 45.100 -0.037 0.000 0.798 63 G HN 0.696 nan 8.290 nan 0.000 0.507 64 A N -0.648 122.153 122.820 -0.031 0.000 2.393 64 A HA 0.787 5.107 4.320 -0.000 0.000 0.306 64 A C -0.043 177.530 177.584 -0.018 0.000 1.050 64 A CA -0.129 51.895 52.037 -0.023 0.000 0.724 64 A CB 1.317 20.289 19.000 -0.047 0.000 1.248 64 A HN 0.586 nan 8.150 nan 0.000 0.424 65 K N 1.522 121.919 120.400 -0.004 0.000 2.172 65 K HA 0.521 4.841 4.320 -0.000 0.000 0.276 65 K C -0.321 176.281 176.600 0.003 0.000 1.013 65 K CA -0.036 56.249 56.287 -0.003 0.000 0.913 65 K CB 0.735 33.235 32.500 0.001 0.000 1.055 65 K HN 0.768 nan 8.250 nan 0.000 0.461 66 T N 0.138 114.690 114.554 -0.003 0.000 2.771 66 T HA 0.476 4.826 4.350 -0.000 0.000 0.281 66 T C -0.469 174.233 174.700 0.002 0.000 0.982 66 T CA -0.832 61.267 62.100 -0.002 0.000 0.978 66 T CB 1.327 70.188 68.868 -0.011 0.000 0.930 66 T HN 0.204 nan 8.240 nan 0.000 0.447 67 V N 2.139 122.059 119.914 0.009 0.000 2.588 67 V HA 0.808 4.928 4.120 -0.000 0.000 0.304 67 V C -0.088 176.010 176.094 0.006 0.000 1.042 67 V CA -1.037 61.268 62.300 0.008 0.000 0.877 67 V CB 1.655 33.485 31.823 0.012 0.000 0.996 67 V HN 1.277 nan 8.190 nan 0.000 0.425 68 A N 6.449 129.270 122.820 0.002 0.000 2.311 68 A HA 0.883 5.203 4.320 -0.000 0.000 0.306 68 A C -0.641 176.942 177.584 -0.001 0.000 1.189 68 A CA -0.501 51.536 52.037 -0.001 0.000 0.791 68 A CB 0.779 19.776 19.000 -0.005 0.000 1.172 68 A HN 1.023 nan 8.150 nan 0.000 0.481 69 I N 0.529 121.099 120.570 -0.000 0.000 2.441 69 I HA 0.733 4.903 4.170 -0.000 0.000 0.295 69 I C -0.656 175.459 176.117 -0.003 0.000 0.994 69 I CA -0.622 60.677 61.300 -0.001 0.000 1.144 69 I CB 1.931 39.931 38.000 0.001 0.000 1.314 69 I HN 0.696 nan 8.210 nan 0.000 0.445 70 N N 2.529 121.227 118.700 -0.004 0.000 2.853 70 N HA 0.343 5.083 4.740 -0.000 0.000 0.258 70 N C -0.357 175.151 175.510 -0.003 0.000 1.444 70 N CA -0.580 52.467 53.050 -0.005 0.000 0.837 70 N CB 2.661 41.144 38.487 -0.007 0.000 1.489 70 N HN 0.678 nan 8.380 nan 0.000 0.529 71 T N -1.007 113.545 114.554 -0.003 0.000 3.044 71 T HA 0.139 4.489 4.350 -0.000 0.000 0.260 71 T C -1.106 173.593 174.700 -0.001 0.000 1.019 71 T CA 0.075 62.174 62.100 -0.001 0.000 0.921 71 T CB -0.151 68.716 68.868 -0.000 0.000 1.053 71 T HN 0.406 nan 8.240 nan 0.000 0.533 72 D N 1.062 121.460 120.400 -0.002 0.000 2.460 72 D HA 0.512 5.152 4.640 -0.000 0.000 0.232 72 D C 1.182 177.481 176.300 -0.001 0.000 1.079 72 D CA -0.142 53.857 54.000 -0.001 0.000 0.864 72 D CB 1.635 42.434 40.800 -0.001 0.000 1.048 72 D HN 0.202 nan 8.370 nan 0.000 0.523 73 A N 4.114 126.934 122.820 -0.000 0.000 1.873 73 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 73 A C 1.942 179.526 177.584 -0.000 0.000 1.193 73 A CA 1.728 53.765 52.037 -0.000 0.000 0.629 73 A CB -0.596 18.404 19.000 0.000 0.000 0.826 73 A HN 0.728 nan 8.150 nan 0.000 0.447 74 Q N -1.009 118.791 119.800 0.001 0.000 2.112 74 Q HA -0.315 4.025 4.340 -0.000 0.000 0.206 74 Q C 2.281 178.281 176.000 0.000 0.000 0.987 74 Q CA 2.211 58.014 55.803 0.001 0.000 0.858 74 Q CB -0.158 28.581 28.738 0.003 0.000 0.905 74 Q HN 0.825 nan 8.270 nan 0.000 0.420 75 Q N -0.427 119.372 119.800 -0.001 0.000 2.083 75 Q HA -0.141 4.199 4.340 -0.000 0.000 0.198 75 Q C 2.082 178.079 176.000 -0.005 0.000 0.969 75 Q CA 1.011 56.812 55.803 -0.003 0.000 0.838 75 Q CB 0.010 28.744 28.738 -0.006 0.000 0.900 75 Q HN 0.348 nan 8.270 nan 0.000 0.436 76 L N 0.585 121.806 121.223 -0.004 0.000 2.131 76 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 76 L C 1.858 178.726 176.870 -0.004 0.000 1.092 76 L CA 1.262 56.099 54.840 -0.005 0.000 0.759 76 L CB -0.366 41.691 42.059 -0.004 0.000 0.903 76 L HN 0.280 nan 8.230 nan 0.000 0.435 77 I N 0.571 121.140 120.570 -0.003 0.000 2.099 77 I HA -0.283 3.887 4.170 -0.000 0.000 0.239 77 I C 2.194 178.309 176.117 -0.002 0.000 1.066 77 I CA 1.676 62.975 61.300 -0.002 0.000 1.324 77 I CB -1.104 36.896 38.000 -0.001 0.000 1.037 77 I HN 0.453 nan 8.210 nan 0.000 0.401 78 R N 0.757 121.256 120.500 -0.002 0.000 2.391 78 R HA 0.073 4.413 4.340 -0.000 0.000 0.225 78 R C -0.144 176.154 176.300 -0.004 0.000 1.079 78 R CA 0.251 56.350 56.100 -0.002 0.000 1.147 78 R CB -0.824 29.475 30.300 -0.001 0.000 1.103 78 R HN 0.144 nan 8.270 nan 0.000 0.499 79 T N 1.129 115.680 114.554 -0.005 0.000 2.824 79 T HA 0.293 4.643 4.350 -0.000 0.000 0.280 79 T C -0.569 174.127 174.700 -0.007 0.000 0.995 79 T CA -0.656 61.439 62.100 -0.007 0.000 1.009 79 T CB 1.969 70.832 68.868 -0.008 0.000 0.955 79 T HN 0.128 nan 8.240 nan 0.000 0.452 80 K N 1.857 122.252 120.400 -0.008 0.000 2.265 80 K HA 0.766 5.086 4.320 -0.000 0.000 0.267 80 K C -0.690 175.904 176.600 -0.009 0.000 0.994 80 K CA -0.613 55.669 56.287 -0.008 0.000 0.860 80 K CB 1.671 34.166 32.500 -0.008 0.000 1.099 80 K HN 0.727 nan 8.250 nan 0.000 0.448 81 A N 2.094 124.909 122.820 -0.008 0.000 2.601 81 A HA 0.239 4.559 4.320 -0.000 0.000 0.291 81 A C -0.399 177.181 177.584 -0.007 0.000 1.075 81 A CA -0.726 51.306 52.037 -0.008 0.000 0.671 81 A CB 0.911 19.907 19.000 -0.007 0.000 1.277 81 A HN 0.642 nan 8.150 nan 0.000 0.417 82 D N -0.046 120.350 120.400 -0.007 0.000 2.117 82 D HA 0.001 4.641 4.640 -0.000 0.000 0.197 82 D C 0.364 176.661 176.300 -0.005 0.000 0.987 82 D CA 1.787 55.783 54.000 -0.006 0.000 0.829 82 D CB 0.206 41.002 40.800 -0.007 0.000 0.961 82 D HN 0.373 nan 8.370 nan 0.000 0.460 83 K N 0.298 120.696 120.400 -0.003 0.000 2.482 83 K HA 0.320 4.640 4.320 -0.000 0.000 0.251 83 K C -1.322 175.277 176.600 -0.002 0.000 0.936 83 K CA -0.544 55.742 56.287 -0.002 0.000 0.791 83 K CB 1.976 34.475 32.500 -0.001 0.000 1.213 83 K HN -0.303 nan 8.250 nan 0.000 0.428 84 K N 3.877 124.275 120.400 -0.002 0.000 2.259 84 K HA 0.615 4.935 4.320 -0.000 0.000 0.249 84 K C -0.663 175.936 176.600 -0.002 0.000 0.942 84 K CA -0.877 55.409 56.287 -0.002 0.000 0.816 84 K CB 1.683 34.181 32.500 -0.003 0.000 1.155 84 K HN 0.521 nan 8.250 nan 0.000 0.428 85 I N 2.857 123.426 120.570 -0.002 0.000 2.571 85 I HA 0.188 4.358 4.170 -0.000 0.000 0.289 85 I C -1.299 174.817 176.117 -0.002 0.000 1.115 85 I CA -0.962 60.337 61.300 -0.002 0.000 1.045 85 I CB 1.898 39.898 38.000 -0.001 0.000 1.238 85 I HN 0.311 nan 8.210 nan 0.000 0.424 86 L N 8.119 129.341 121.223 -0.002 0.000 2.259 86 L HA 0.554 4.894 4.340 -0.000 0.000 0.288 86 L C -0.117 176.752 176.870 -0.001 0.000 1.051 86 L CA -0.156 54.683 54.840 -0.002 0.000 0.824 86 L CB 0.501 42.559 42.059 -0.001 0.000 1.206 86 L HN 0.476 nan 8.230 nan 0.000 0.429 87 I N 1.642 122.211 120.570 -0.001 0.000 2.783 87 I HA 0.762 4.932 4.170 -0.000 0.000 0.312 87 I C 1.049 177.165 176.117 -0.001 0.000 0.988 87 I CA -0.422 60.877 61.300 -0.001 0.000 1.182 87 I CB 1.393 39.392 38.000 -0.002 0.000 1.368 87 I HN 0.761 nan 8.210 nan 0.000 0.511 88 G N 3.389 112.189 108.800 -0.000 0.000 2.272 88 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.280 88 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.280 88 G C 0.731 175.631 174.900 0.001 0.000 1.067 88 G CA 0.286 45.386 45.100 0.000 0.000 0.902 88 G HN 0.767 nan 8.290 nan 0.000 0.500 89 K N -0.058 120.342 120.400 0.000 0.000 2.015 89 K HA -0.152 4.168 4.320 -0.000 0.000 0.216 89 K C 2.525 179.126 176.600 0.001 0.000 1.052 89 K CA 1.984 58.271 56.287 0.000 0.000 0.937 89 K CB -0.331 32.169 32.500 0.000 0.000 0.719 89 K HN 0.457 nan 8.250 nan 0.000 0.446 90 K N 0.901 121.302 120.400 0.001 0.000 1.970 90 K HA -0.141 4.179 4.320 -0.000 0.000 0.225 90 K C 2.244 178.845 176.600 0.002 0.000 1.045 90 K CA 1.124 57.412 56.287 0.001 0.000 1.002 90 K CB -1.036 31.465 32.500 0.001 0.000 0.743 90 K HN -0.070 nan 8.250 nan 0.000 0.445 91 L N 0.286 121.511 121.223 0.002 0.000 2.012 91 L HA -0.256 4.084 4.340 -0.000 0.000 0.236 91 L C 0.995 177.867 176.870 0.003 0.000 1.099 91 L CA 1.913 56.755 54.840 0.003 0.000 0.821 91 L CB -1.745 40.316 42.059 0.003 0.000 0.918 91 L HN 0.227 nan 8.230 nan 0.000 0.445 92 T N 1.328 115.884 114.554 0.003 0.000 2.780 92 T HA 0.191 4.541 4.350 -0.000 0.000 0.294 92 T C 0.657 175.358 174.700 0.003 0.000 0.949 92 T CA -0.611 61.491 62.100 0.003 0.000 1.074 92 T CB 0.700 69.570 68.868 0.003 0.000 0.910 92 T HN 0.101 nan 8.240 nan 0.000 0.501 93 R N 2.538 123.040 120.500 0.003 0.000 4.464 93 R HA 0.230 4.570 4.340 -0.000 0.000 0.229 93 R C 1.485 177.787 176.300 0.003 0.000 1.916 93 R CA -0.213 55.889 56.100 0.003 0.000 1.601 93 R CB -1.148 29.154 30.300 0.003 0.000 1.315 93 R HN 1.086 nan 8.270 nan 0.000 0.725 94 G N 0.438 109.240 108.800 0.002 0.000 2.168 94 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.257 94 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.257 94 G C 0.575 175.476 174.900 0.002 0.000 0.997 94 G CA 0.252 45.353 45.100 0.002 0.000 0.708 94 G HN 0.494 nan 8.290 nan 0.000 0.520 95 L N -0.101 121.124 121.223 0.003 0.000 2.640 95 L HA 0.510 4.850 4.340 -0.000 0.000 0.230 95 L C 1.430 178.303 176.870 0.005 0.000 1.123 95 L CA 0.398 55.241 54.840 0.004 0.000 0.900 95 L CB 0.009 42.071 42.059 0.005 0.000 1.146 95 L HN 1.034 nan 8.230 nan 0.000 0.484 96 G N -0.217 108.586 108.800 0.004 0.000 2.629 96 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.686 96 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.686 96 G C 0.037 174.940 174.900 0.005 0.000 1.232 96 G CA -0.401 44.701 45.100 0.004 0.000 0.803 96 G HN 0.051 nan 8.290 nan 0.000 0.638 97 A N 0.111 122.935 122.820 0.005 0.000 2.337 97 A HA 0.618 4.938 4.320 -0.000 0.000 0.227 97 A C 2.300 179.889 177.584 0.009 0.000 1.259 97 A CA 1.494 53.535 52.037 0.006 0.000 0.870 97 A CB -0.730 18.273 19.000 0.006 0.000 0.927 97 A HN 2.945 nan 8.150 nan 0.000 0.497 98 G N -1.031 107.775 108.800 0.010 0.000 2.321 98 G HA2 0.068 4.028 3.960 -0.000 0.000 0.287 98 G HA3 0.068 4.028 3.960 -0.000 0.000 0.287 98 G C 1.453 176.362 174.900 0.015 0.000 1.018 98 G CA 0.873 45.981 45.100 0.013 0.000 0.855 98 G HN 2.070 nan 8.290 nan 0.000 0.507 99 G N -1.065 107.744 108.800 0.015 0.000 2.155 99 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.257 99 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.257 99 G C 0.310 175.218 174.900 0.014 0.000 0.983 99 G CA 0.792 45.902 45.100 0.017 0.000 0.676 99 G HN 1.526 nan 8.290 nan 0.000 0.528 100 N N 0.849 119.556 118.700 0.012 0.000 2.469 100 N HA 0.391 5.131 4.740 -0.000 0.000 0.239 100 N C -0.712 174.804 175.510 0.010 0.000 1.053 100 N CA -2.022 51.035 53.050 0.011 0.000 0.937 100 N CB 1.403 39.896 38.487 0.010 0.000 1.163 100 N HN 0.019 nan 8.380 nan 0.000 0.509 101 P HA -0.201 nan 4.420 nan 0.000 0.216 101 P C 0.911 178.217 177.300 0.011 0.000 1.157 101 P CA 1.920 65.026 63.100 0.010 0.000 0.880 101 P CB 0.343 32.049 31.700 0.010 0.000 0.791 102 K N -0.870 119.537 120.400 0.012 0.000 2.059 102 K HA -0.175 4.145 4.320 -0.000 0.000 0.212 102 K C 1.956 178.562 176.600 0.010 0.000 1.050 102 K CA 1.430 57.724 56.287 0.012 0.000 0.927 102 K CB -0.793 31.714 32.500 0.011 0.000 0.714 102 K HN 0.108 nan 8.250 nan 0.000 0.447 103 I N 0.924 121.499 120.570 0.009 0.000 2.264 103 I HA -0.172 3.998 4.170 -0.000 0.000 0.248 103 I C 2.492 178.613 176.117 0.006 0.000 1.111 103 I CA 1.594 62.898 61.300 0.007 0.000 1.382 103 I CB -1.839 36.165 38.000 0.007 0.000 1.060 103 I HN 0.298 nan 8.210 nan 0.000 0.418 104 G N 0.511 109.315 108.800 0.007 0.000 2.453 104 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.215 104 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.215 104 G C 1.577 176.481 174.900 0.006 0.000 1.201 104 G CA 0.877 45.981 45.100 0.006 0.000 0.784 104 G HN 0.480 nan 8.290 nan 0.000 0.545 105 E N 0.325 120.531 120.200 0.009 0.000 2.049 105 E HA -0.257 4.093 4.350 -0.000 0.000 0.198 105 E C 2.256 178.860 176.600 0.006 0.000 1.007 105 E CA 1.723 58.129 56.400 0.011 0.000 0.809 105 E CB -0.294 29.416 29.700 0.016 0.000 0.749 105 E HN 0.624 nan 8.360 nan 0.000 0.450 106 E N -0.129 120.074 120.200 0.006 0.000 2.038 106 E HA -0.250 4.100 4.350 -0.000 0.000 0.195 106 E C 2.033 178.634 176.600 0.002 0.000 1.000 106 E CA 1.238 57.641 56.400 0.004 0.000 0.803 106 E CB -0.288 29.415 29.700 0.005 0.000 0.750 106 E HN 0.372 nan 8.360 nan 0.000 0.448 107 A N 1.311 124.132 122.820 0.002 0.000 1.927 107 A HA -0.269 4.051 4.320 -0.000 0.000 0.220 107 A C 2.407 179.990 177.584 -0.001 0.000 1.185 107 A CA 2.472 54.510 52.037 0.001 0.000 0.639 107 A CB -1.102 17.899 19.000 0.002 0.000 0.820 107 A HN 0.475 nan 8.150 nan 0.000 0.451 108 A N -0.203 122.617 122.820 -0.001 0.000 1.841 108 A HA -0.213 4.107 4.320 -0.000 0.000 0.216 108 A C 2.089 179.669 177.584 -0.007 0.000 1.199 108 A CA 1.979 54.014 52.037 -0.003 0.000 0.621 108 A CB -0.651 18.347 19.000 -0.003 0.000 0.835 108 A HN 0.559 nan 8.150 nan 0.000 0.445 109 K N -0.505 119.890 120.400 -0.007 0.000 2.089 109 K HA -0.264 4.056 4.320 -0.000 0.000 0.210 109 K C 2.120 178.716 176.600 -0.008 0.000 1.048 109 K CA 1.708 57.989 56.287 -0.010 0.000 0.926 109 K CB -0.291 32.204 32.500 -0.008 0.000 0.714 109 K HN 0.739 nan 8.250 nan 0.000 0.448 110 E N 0.905 121.102 120.200 -0.005 0.000 2.065 110 E HA -0.194 4.156 4.350 -0.000 0.000 0.201 110 E C 0.653 177.250 176.600 -0.005 0.000 1.016 110 E CA 1.682 58.080 56.400 -0.004 0.000 0.818 110 E CB 0.054 29.753 29.700 -0.002 0.000 0.749 110 E HN 0.131 nan 8.360 nan 0.000 0.453 111 S N -0.036 115.661 115.700 -0.005 0.000 2.618 111 S HA 0.327 4.797 4.470 -0.000 0.000 0.242 111 S C 0.938 175.534 174.600 -0.008 0.000 0.972 111 S CA 0.176 58.372 58.200 -0.005 0.000 1.004 111 S CB 1.002 64.200 63.200 -0.004 0.000 0.778 111 S HN 0.424 nan 8.310 nan 0.000 0.459 112 A N 1.242 124.056 122.820 -0.010 0.000 2.076 112 A HA -0.136 4.184 4.320 -0.000 0.000 0.220 112 A C 2.095 179.671 177.584 -0.013 0.000 1.160 112 A CA 1.483 53.511 52.037 -0.014 0.000 0.653 112 A CB -0.248 18.741 19.000 -0.019 0.000 0.801 112 A HN 0.426 nan 8.150 nan 0.000 0.455 113 E N 0.198 120.392 120.200 -0.010 0.000 2.030 113 E HA -0.074 4.276 4.350 -0.000 0.000 0.189 113 E C 1.811 178.406 176.600 -0.007 0.000 0.974 113 E CA 1.356 57.751 56.400 -0.009 0.000 0.807 113 E CB -0.331 29.365 29.700 -0.007 0.000 0.771 113 E HN 0.510 nan 8.360 nan 0.000 0.451 114 E N 0.328 120.525 120.200 -0.006 0.000 2.187 114 E HA -0.187 4.163 4.350 -0.000 0.000 0.199 114 E C 2.047 178.645 176.600 -0.004 0.000 1.004 114 E CA 1.337 57.734 56.400 -0.005 0.000 0.813 114 E CB -0.267 29.431 29.700 -0.004 0.000 0.736 114 E HN 0.393 nan 8.360 nan 0.000 0.468 115 I N 0.301 120.868 120.570 -0.005 0.000 2.286 115 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 115 I C 2.383 178.496 176.117 -0.005 0.000 1.104 115 I CA 0.913 62.210 61.300 -0.005 0.000 1.397 115 I CB -0.209 37.787 38.000 -0.007 0.000 1.072 115 I HN 0.055 nan 8.210 nan 0.000 0.417 116 K N 1.548 121.943 120.400 -0.008 0.000 2.147 116 K HA -0.166 4.154 4.320 -0.000 0.000 0.205 116 K C 2.119 178.716 176.600 -0.006 0.000 1.049 116 K CA 1.416 57.697 56.287 -0.009 0.000 0.936 116 K CB -0.011 32.482 32.500 -0.012 0.000 0.722 116 K HN 0.288 nan 8.250 nan 0.000 0.446 117 A N 0.845 123.662 122.820 -0.005 0.000 1.929 117 A HA 0.025 4.345 4.320 -0.000 0.000 0.216 117 A C 2.250 179.833 177.584 -0.003 0.000 1.176 117 A CA 1.373 53.407 52.037 -0.004 0.000 0.628 117 A CB -0.552 18.446 19.000 -0.004 0.000 0.816 117 A HN 0.431 nan 8.150 nan 0.000 0.444 118 A N 0.222 123.041 122.820 -0.001 0.000 2.070 118 A HA 0.036 4.356 4.320 -0.000 0.000 0.220 118 A C 1.708 179.294 177.584 0.004 0.000 1.159 118 A CA 1.457 53.495 52.037 0.001 0.000 0.656 118 A CB -0.644 18.357 19.000 0.002 0.000 0.800 118 A HN 1.064 nan 8.150 nan 0.000 0.453 119 I N -4.936 115.636 120.570 0.004 0.000 3.966 119 I HA 0.288 4.458 4.170 -0.000 0.000 0.324 119 I C 1.366 177.485 176.117 0.003 0.000 1.517 119 I CA 0.118 61.422 61.300 0.007 0.000 1.117 119 I CB 0.167 38.174 38.000 0.013 0.000 1.190 119 I HN 0.056 nan 8.210 nan 0.000 0.466 120 Q N 2.764 122.564 119.800 -0.001 0.000 2.224 120 Q HA -0.210 4.130 4.340 -0.000 0.000 0.213 120 Q C 0.364 176.362 176.000 -0.003 0.000 0.998 120 Q CA 2.123 57.924 55.803 -0.003 0.000 0.895 120 Q CB -0.156 28.580 28.738 -0.004 0.000 0.926 120 Q HN 0.622 nan 8.270 nan 0.000 0.417 121 D N 0.069 120.466 120.400 -0.004 0.000 2.963 121 D HA 0.205 4.845 4.640 -0.000 0.000 0.361 121 D C -0.957 175.338 176.300 -0.009 0.000 1.317 121 D CA -0.017 53.979 54.000 -0.007 0.000 0.832 121 D CB 0.593 41.385 40.800 -0.013 0.000 1.135 121 D HN -0.009 nan 8.370 nan 0.000 0.476 122 S N 0.209 115.910 115.700 0.001 0.000 2.525 122 S HA 0.225 4.695 4.470 -0.000 0.000 0.290 122 S C 0.886 175.497 174.600 0.019 0.000 1.152 122 S CA -0.715 57.488 58.200 0.006 0.000 1.072 122 S CB 2.436 65.649 63.200 0.021 0.000 1.027 122 S HN 0.097 nan 8.310 nan 0.000 0.500 123 D N 0.876 121.287 120.400 0.019 0.000 2.301 123 D HA 0.116 4.756 4.640 -0.000 0.000 0.206 123 D C 0.278 176.679 176.300 0.168 0.000 0.979 123 D CA 0.787 54.837 54.000 0.084 0.000 0.874 123 D CB 0.334 41.148 40.800 0.023 0.000 0.968 123 D HN 0.405 nan 8.370 nan 0.000 0.510 124 M N 0.961 120.639 119.600 0.130 0.000 2.322 124 M HA 0.320 4.800 4.480 -0.000 0.000 0.286 124 M C -2.293 174.045 176.300 0.063 0.000 1.111 124 M CA -0.464 54.901 55.300 0.108 0.000 0.941 124 M CB 2.719 35.467 32.600 0.246 0.000 1.671 124 M HN -0.407 nan 8.290 nan 0.000 0.470 125 V N 4.928 124.823 119.914 -0.032 0.000 2.531 125 V HA 0.559 4.679 4.120 -0.000 0.000 0.301 125 V C -1.184 174.875 176.094 -0.059 0.000 1.034 125 V CA -0.466 61.851 62.300 0.028 0.000 0.865 125 V CB 1.922 33.758 31.823 0.020 0.000 0.995 125 V HN 0.735 nan 8.190 nan 0.000 0.424 126 F N 4.662 124.629 119.950 0.027 0.000 2.420 126 F HA 0.625 5.152 4.527 -0.000 0.000 0.342 126 F C 0.275 176.084 175.800 0.016 0.000 1.113 126 F CA -0.600 57.415 58.000 0.024 0.000 1.059 126 F CB 1.432 40.446 39.000 0.023 0.000 1.128 126 F HN 0.228 nan 8.300 nan 0.000 0.475 127 I N 2.662 123.330 120.570 0.164 0.000 2.382 127 I HA 0.310 4.480 4.170 -0.000 0.000 0.286 127 I C -0.254 175.922 176.117 0.097 0.000 1.002 127 I CA -0.314 61.046 61.300 0.101 0.000 1.135 127 I CB 1.830 39.863 38.000 0.055 0.000 1.288 127 I HN 0.482 nan 8.210 nan 0.000 0.448 128 T N 5.802 120.402 114.554 0.077 0.000 2.876 128 T HA 0.769 5.119 4.350 -0.000 0.000 0.289 128 T C -0.701 174.008 174.700 0.016 0.000 1.014 128 T CA -0.332 61.798 62.100 0.049 0.000 0.986 128 T CB 1.088 69.984 68.868 0.046 0.000 1.021 128 T HN 0.915 nan 8.240 nan 0.000 0.458 129 C N 1.448 120.747 119.300 -0.001 0.000 3.211 129 C HA 0.899 5.359 4.460 -0.000 0.000 0.350 129 C C 0.059 175.026 174.990 -0.039 0.000 1.413 129 C CA -0.585 58.420 59.018 -0.022 0.000 1.203 129 C CB 0.630 28.362 27.740 -0.014 0.000 1.506 129 C HN 1.137 nan 8.230 nan 0.000 0.448 130 G N 1.354 110.120 108.800 -0.057 0.000 2.522 130 G HA2 0.579 4.539 3.960 -0.000 0.000 0.318 130 G HA3 0.579 4.539 3.960 -0.000 0.000 0.318 130 G C -0.590 174.276 174.900 -0.057 0.000 1.192 130 G CA -0.479 44.577 45.100 -0.073 0.000 0.988 130 G HN 0.898 nan 8.290 nan 0.000 0.480 131 L N 1.711 122.902 121.223 -0.053 0.000 2.485 131 L HA 0.388 4.728 4.340 -0.000 0.000 0.275 131 L C 1.518 178.368 176.870 -0.034 0.000 1.207 131 L CA 1.367 56.180 54.840 -0.044 0.000 0.855 131 L CB 1.034 43.057 42.059 -0.059 0.000 1.114 131 L HN 0.837 nan 8.230 nan 0.000 0.485 132 G N 1.497 110.285 108.800 -0.020 0.000 2.480 132 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.193 132 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.193 132 G C 0.280 175.185 174.900 0.009 0.000 1.004 132 G CA -0.291 44.808 45.100 -0.001 0.000 0.696 132 G HN 0.988 nan 8.290 nan 0.000 0.478 133 G N -0.563 108.238 108.800 0.001 0.000 2.671 133 G HA2 0.605 4.565 3.960 -0.000 0.000 0.275 133 G HA3 0.605 4.565 3.960 -0.000 0.000 0.275 133 G C 1.130 176.032 174.900 0.004 0.000 1.368 133 G CA 0.344 45.447 45.100 0.005 0.000 1.044 133 G HN 1.045 nan 8.290 nan 0.000 0.543 134 G N -1.435 107.367 108.800 0.005 0.000 2.447 134 G HA2 0.054 4.014 3.960 -0.000 0.000 0.211 134 G HA3 0.054 4.014 3.960 -0.000 0.000 0.211 134 G C 1.650 176.551 174.900 0.003 0.000 1.184 134 G CA 1.590 46.693 45.100 0.005 0.000 0.813 134 G HN 0.555 nan 8.290 nan 0.000 0.540 135 T N 1.175 115.729 114.554 -0.000 0.000 2.643 135 T HA -0.028 4.322 4.350 -0.000 0.000 0.264 135 T C 2.462 177.160 174.700 -0.002 0.000 1.045 135 T CA 1.626 63.725 62.100 -0.001 0.000 1.155 135 T CB -0.772 68.094 68.868 -0.004 0.000 0.863 135 T HN 0.311 nan 8.240 nan 0.000 0.420 136 G N 1.326 110.121 108.800 -0.008 0.000 2.511 136 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.216 136 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.216 136 G C 1.749 176.647 174.900 -0.003 0.000 1.218 136 G CA 1.592 46.687 45.100 -0.009 0.000 0.788 136 G HN 0.467 nan 8.290 nan 0.000 0.560 137 T N 0.974 115.525 114.554 -0.005 0.000 2.685 137 T HA -0.124 4.226 4.350 -0.000 0.000 0.268 137 T C 2.368 177.073 174.700 0.008 0.000 1.034 137 T CA 1.749 63.848 62.100 -0.002 0.000 1.149 137 T CB -0.586 68.279 68.868 -0.004 0.000 0.860 137 T HN 0.397 nan 8.240 nan 0.000 0.449 138 G N 1.202 110.008 108.800 0.009 0.000 2.424 138 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.214 138 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.214 138 G C 1.961 176.871 174.900 0.016 0.000 1.202 138 G CA 1.148 46.256 45.100 0.014 0.000 0.793 138 G HN 0.620 nan 8.290 nan 0.000 0.534 139 S N 1.461 117.167 115.700 0.011 0.000 2.368 139 S HA 0.128 4.598 4.470 -0.000 0.000 0.224 139 S C 2.661 177.269 174.600 0.014 0.000 1.029 139 S CA 1.575 59.780 58.200 0.009 0.000 0.988 139 S CB -0.677 62.526 63.200 0.004 0.000 0.838 139 S HN 0.712 nan 8.310 nan 0.000 0.462 140 A N 3.228 126.058 122.820 0.016 0.000 1.954 140 A HA -0.114 4.206 4.320 -0.000 0.000 0.222 140 A C 0.154 177.761 177.584 0.038 0.000 1.199 140 A CA 2.161 54.212 52.037 0.023 0.000 0.657 140 A CB -1.988 17.024 19.000 0.021 0.000 0.823 140 A HN 0.593 nan 8.150 nan 0.000 0.463 141 P HA 0.003 nan 4.420 nan 0.000 0.221 141 P C 1.534 178.863 177.300 0.048 0.000 1.155 141 P CA 0.803 63.964 63.100 0.101 0.000 0.812 141 P CB -0.014 31.772 31.700 0.143 0.000 0.801 142 V N -0.392 119.528 119.914 0.010 0.000 2.407 142 V HA -0.185 3.935 4.120 -0.000 0.000 0.248 142 V C 2.384 178.448 176.094 -0.051 0.000 1.055 142 V CA 1.695 63.971 62.300 -0.039 0.000 1.049 142 V CB -1.152 30.658 31.823 -0.022 0.000 0.662 142 V HN -0.024 nan 8.190 nan 0.000 0.455 143 V N 0.236 120.139 119.914 -0.019 0.000 2.358 143 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 143 V C 2.702 178.786 176.094 -0.018 0.000 1.047 143 V CA 1.916 64.207 62.300 -0.014 0.000 1.035 143 V CB -0.972 30.853 31.823 0.004 0.000 0.658 143 V HN 0.560 nan 8.190 nan 0.000 0.452 144 A N -0.614 122.205 122.820 -0.002 0.000 1.940 144 A HA -0.287 4.033 4.320 -0.000 0.000 0.219 144 A C 2.267 179.835 177.584 -0.027 0.000 1.176 144 A CA 2.108 54.153 52.037 0.014 0.000 0.631 144 A CB -0.469 18.575 19.000 0.075 0.000 0.814 144 A HN 0.635 nan 8.150 nan 0.000 0.446 145 E N -0.208 119.910 120.200 -0.137 0.000 2.047 145 E HA -0.141 4.209 4.350 -0.000 0.000 0.191 145 E C 1.890 178.409 176.600 -0.134 0.000 0.987 145 E CA 1.161 57.398 56.400 -0.270 0.000 0.799 145 E CB -0.209 29.151 29.700 -0.567 0.000 0.752 145 E HN 0.669 nan 8.360 nan 0.000 0.449 146 I N 0.552 121.062 120.570 -0.099 0.000 2.208 146 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 146 I C 2.697 178.792 176.117 -0.038 0.000 1.097 146 I CA 0.942 62.207 61.300 -0.059 0.000 1.363 146 I CB -0.395 37.580 38.000 -0.042 0.000 1.051 146 I HN 0.149 nan 8.210 nan 0.000 0.413 147 S N 0.821 116.502 115.700 -0.030 0.000 2.353 147 S HA -0.227 4.243 4.470 -0.000 0.000 0.222 147 S C 2.107 176.698 174.600 -0.016 0.000 1.035 147 S CA 1.564 59.754 58.200 -0.016 0.000 1.025 147 S CB -0.105 63.088 63.200 -0.012 0.000 0.902 147 S HN 0.308 nan 8.310 nan 0.000 0.440 148 K N 0.477 120.866 120.400 -0.018 0.000 2.097 148 K HA -0.055 4.265 4.320 -0.000 0.000 0.206 148 K C 2.311 178.904 176.600 -0.011 0.000 1.049 148 K CA 1.233 57.515 56.287 -0.008 0.000 0.933 148 K CB -0.134 32.371 32.500 0.008 0.000 0.717 148 K HN 0.330 nan 8.250 nan 0.000 0.442 149 K N 0.880 121.266 120.400 -0.022 0.000 2.103 149 K HA -0.143 4.177 4.320 -0.000 0.000 0.207 149 K C 1.886 178.479 176.600 -0.011 0.000 1.048 149 K CA 1.462 57.738 56.287 -0.019 0.000 0.930 149 K CB -0.248 32.235 32.500 -0.029 0.000 0.716 149 K HN 0.351 nan 8.250 nan 0.000 0.444 150 I N -2.439 118.125 120.570 -0.010 0.000 3.680 150 I HA 0.177 4.347 4.170 -0.000 0.000 0.306 150 I C 0.795 176.912 176.117 0.001 0.000 1.260 150 I CA 0.518 61.816 61.300 -0.005 0.000 1.201 150 I CB -0.379 37.618 38.000 -0.005 0.000 1.009 150 I HN 0.236 nan 8.210 nan 0.000 0.467 151 G N 1.326 110.126 108.800 0.001 0.000 2.189 151 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.267 151 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.267 151 G C 0.528 175.435 174.900 0.012 0.000 0.975 151 G CA 0.169 45.273 45.100 0.006 0.000 0.644 151 G HN 1.012 nan 8.290 nan 0.000 0.537 152 A N 0.092 122.919 122.820 0.010 0.000 2.462 152 A HA 0.589 4.909 4.320 -0.000 0.000 0.243 152 A C 0.798 178.383 177.584 0.001 0.000 1.076 152 A CA 0.185 52.233 52.037 0.019 0.000 0.773 152 A CB 0.446 19.454 19.000 0.014 0.000 1.010 152 A HN 1.399 nan 8.150 nan 0.000 0.493 153 L N 2.705 123.935 121.223 0.010 0.000 2.500 153 L HA 0.167 4.507 4.340 -0.000 0.000 0.272 153 L C -0.129 176.683 176.870 -0.097 0.000 1.149 153 L CA 0.218 55.032 54.840 -0.044 0.000 0.897 153 L CB 0.212 42.241 42.059 -0.050 0.000 1.178 153 L HN 0.727 nan 8.230 nan 0.000 0.473 154 T N 4.956 119.451 114.554 -0.098 0.000 2.744 154 T HA 0.477 4.827 4.350 -0.000 0.000 0.291 154 T C -0.379 174.222 174.700 -0.164 0.000 0.957 154 T CA -0.324 61.706 62.100 -0.116 0.000 1.002 154 T CB 1.304 70.143 68.868 -0.048 0.000 0.919 154 T HN 0.356 nan 8.240 nan 0.000 0.468 155 V N 2.527 122.282 119.914 -0.265 0.000 2.638 155 V HA 0.813 4.933 4.120 -0.000 0.000 0.306 155 V C -0.212 175.810 176.094 -0.120 0.000 1.052 155 V CA -1.036 61.106 62.300 -0.263 0.000 0.885 155 V CB 1.813 33.310 31.823 -0.544 0.000 0.999 155 V HN 1.023 nan 8.190 nan 0.000 0.424 156 A N 3.892 126.702 122.820 -0.015 0.000 2.350 156 A HA 0.904 5.224 4.320 -0.000 0.000 0.324 156 A C -0.884 176.748 177.584 0.080 0.000 1.118 156 A CA -0.594 51.472 52.037 0.048 0.000 0.783 156 A CB 1.832 20.854 19.000 0.036 0.000 1.236 156 A HN 0.830 nan 8.150 nan 0.000 0.457 157 V N 3.434 123.409 119.914 0.102 0.000 2.327 157 V HA 0.464 4.584 4.120 -0.000 0.000 0.272 157 V C -0.098 176.020 176.094 0.039 0.000 1.019 157 V CA -0.431 61.920 62.300 0.085 0.000 0.814 157 V CB 0.446 32.342 31.823 0.121 0.000 1.040 157 V HN 0.990 nan 8.190 nan 0.000 0.440 158 V N 1.470 121.392 119.914 0.014 0.000 3.019 158 V HA 0.987 5.107 4.120 -0.000 0.000 0.317 158 V C 0.115 176.185 176.094 -0.041 0.000 1.094 158 V CA -0.443 61.848 62.300 -0.015 0.000 1.000 158 V CB 2.122 33.933 31.823 -0.020 0.000 1.060 158 V HN 0.743 nan 8.190 nan 0.000 0.443 159 T N 0.600 115.116 114.554 -0.063 0.000 2.932 159 T HA 0.793 5.143 4.350 -0.000 0.000 0.289 159 T C -0.898 173.736 174.700 -0.109 0.000 1.039 159 T CA -0.715 61.328 62.100 -0.094 0.000 1.024 159 T CB 1.666 70.466 68.868 -0.113 0.000 1.090 159 T HN 0.599 nan 8.240 nan 0.000 0.496 160 L N 2.982 124.122 121.223 -0.138 0.000 2.322 160 L HA 0.584 4.924 4.340 -0.000 0.000 0.279 160 L C -2.002 174.771 176.870 -0.161 0.000 1.036 160 L CA -2.421 52.339 54.840 -0.134 0.000 0.807 160 L CB 1.091 43.069 42.059 -0.135 0.000 1.226 160 L HN 0.573 nan 8.230 nan 0.000 0.433 161 P HA 0.007 nan 4.420 nan 0.000 0.269 161 P C -0.625 176.652 177.300 -0.037 0.000 1.217 161 P CA -0.073 63.016 63.100 -0.018 0.000 0.783 161 P CB 0.377 32.112 31.700 0.058 0.000 0.898 162 F N -0.139 119.884 119.950 0.121 0.000 2.389 162 F HA 0.007 4.534 4.527 -0.000 0.000 0.337 162 F C 2.016 177.875 175.800 0.099 0.000 1.112 162 F CA -0.122 57.953 58.000 0.126 0.000 1.192 162 F CB 0.220 39.307 39.000 0.146 0.000 1.185 162 F HN 0.034 nan 8.300 nan 0.000 0.552 163 V N 2.949 123.047 119.914 0.308 0.000 2.380 163 V HA -0.372 3.748 4.120 -0.000 0.000 0.251 163 V C 2.208 178.386 176.094 0.141 0.000 1.063 163 V CA 2.036 64.440 62.300 0.173 0.000 1.055 163 V CB -0.761 31.143 31.823 0.135 0.000 0.657 163 V HN 0.813 nan 8.190 nan 0.000 0.455 164 M N -0.389 119.303 119.600 0.153 0.000 2.195 164 M HA -0.256 4.224 4.480 -0.000 0.000 0.260 164 M C 2.030 178.375 176.300 0.074 0.000 1.066 164 M CA 1.841 57.180 55.300 0.064 0.000 1.089 164 M CB -0.649 31.950 32.600 -0.002 0.000 1.377 164 M HN 0.430 nan 8.290 nan 0.000 0.411 165 E N 0.345 120.627 120.200 0.136 0.000 2.409 165 E HA 0.115 4.465 4.350 -0.000 0.000 0.198 165 E C 0.896 177.549 176.600 0.087 0.000 1.024 165 E CA 0.277 56.753 56.400 0.127 0.000 0.861 165 E CB -0.083 29.732 29.700 0.192 0.000 0.788 165 E HN 0.601 nan 8.360 nan 0.000 0.521 166 G N 1.183 110.028 108.800 0.075 0.000 2.662 166 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.686 166 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.686 166 G C 0.032 174.960 174.900 0.046 0.000 1.271 166 G CA -0.123 45.008 45.100 0.051 0.000 0.816 166 G HN 0.069 nan 8.290 nan 0.000 0.608 167 K N -0.485 119.935 120.400 0.033 0.000 1.991 167 K HA -0.043 4.277 4.320 -0.000 0.000 0.212 167 K C 2.763 179.378 176.600 0.024 0.000 1.049 167 K CA 2.268 58.571 56.287 0.026 0.000 0.932 167 K CB -0.398 32.114 32.500 0.021 0.000 0.717 167 K HN 0.474 nan 8.250 nan 0.000 0.441 168 V N 1.144 121.073 119.914 0.024 0.000 2.324 168 V HA -0.301 3.819 4.120 -0.000 0.000 0.250 168 V C 2.421 178.529 176.094 0.023 0.000 1.060 168 V CA 2.019 64.332 62.300 0.022 0.000 1.042 168 V CB -0.551 31.285 31.823 0.022 0.000 0.650 168 V HN 0.305 nan 8.190 nan 0.000 0.450 169 R N -0.421 120.099 120.500 0.033 0.000 2.082 169 R HA -0.162 4.178 4.340 -0.000 0.000 0.234 169 R C 2.201 178.514 176.300 0.022 0.000 1.136 169 R CA 2.284 58.406 56.100 0.037 0.000 0.935 169 R CB -0.856 29.482 30.300 0.063 0.000 0.842 169 R HN 0.495 nan 8.270 nan 0.000 0.430 170 M N 0.505 120.118 119.600 0.022 0.000 2.149 170 M HA -0.155 4.325 4.480 -0.000 0.000 0.261 170 M C 1.851 178.142 176.300 -0.014 0.000 1.064 170 M CA 1.866 57.166 55.300 0.000 0.000 1.102 170 M CB -0.299 32.305 32.600 0.006 0.000 1.369 170 M HN -0.010 nan 8.290 nan 0.000 0.408 171 K N 0.225 120.624 120.400 -0.002 0.000 2.009 171 K HA -0.152 4.168 4.320 -0.000 0.000 0.210 171 K C 1.559 178.154 176.600 -0.009 0.000 1.049 171 K CA 2.514 58.798 56.287 -0.004 0.000 0.929 171 K CB -0.655 31.849 32.500 0.007 0.000 0.714 171 K HN 0.687 nan 8.250 nan 0.000 0.440 172 N N -0.355 118.343 118.700 -0.003 0.000 2.120 172 N HA -0.152 4.588 4.740 -0.000 0.000 0.188 172 N C 1.747 177.245 175.510 -0.019 0.000 1.024 172 N CA 0.820 53.867 53.050 -0.004 0.000 0.852 172 N CB -0.228 38.261 38.487 0.003 0.000 1.003 172 N HN 0.336 nan 8.380 nan 0.000 0.424 173 A N 1.757 124.560 122.820 -0.029 0.000 1.873 173 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 173 A C 2.177 179.707 177.584 -0.089 0.000 1.193 173 A CA 1.462 53.467 52.037 -0.053 0.000 0.629 173 A CB -0.437 18.527 19.000 -0.059 0.000 0.826 173 A HN 0.139 nan 8.150 nan 0.000 0.447 174 M N -0.320 119.219 119.600 -0.103 0.000 2.080 174 M HA -0.162 4.318 4.480 -0.000 0.000 0.260 174 M C 1.943 178.188 176.300 -0.091 0.000 1.068 174 M CA 1.654 56.860 55.300 -0.156 0.000 1.109 174 M CB -1.676 30.853 32.600 -0.117 0.000 1.342 174 M HN 0.554 nan 8.290 nan 0.000 0.405 175 E N -0.428 119.754 120.200 -0.030 0.000 2.077 175 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 175 E C 2.119 178.725 176.600 0.011 0.000 0.989 175 E CA 1.168 57.573 56.400 0.008 0.000 0.800 175 E CB -0.374 29.334 29.700 0.014 0.000 0.746 175 E HN 0.633 nan 8.360 nan 0.000 0.452 176 G N 1.609 110.404 108.800 -0.008 0.000 2.421 176 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.216 176 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.216 176 G C 1.560 176.460 174.900 0.000 0.000 1.171 176 G CA 0.538 45.639 45.100 0.002 0.000 0.775 176 G HN 0.159 nan 8.290 nan 0.000 0.543 177 L N 0.755 121.947 121.223 -0.052 0.000 2.129 177 L HA -0.072 4.268 4.340 -0.000 0.000 0.212 177 L C 2.519 179.434 176.870 0.074 0.000 1.087 177 L CA 2.491 57.285 54.840 -0.078 0.000 0.757 177 L CB -0.449 41.416 42.059 -0.323 0.000 0.896 177 L HN 0.358 nan 8.230 nan 0.000 0.434 178 E N -0.243 120.028 120.200 0.119 0.000 2.006 178 E HA -0.184 4.166 4.350 -0.000 0.000 0.192 178 E C 2.336 178.995 176.600 0.098 0.000 0.993 178 E CA 1.417 57.955 56.400 0.230 0.000 0.808 178 E CB -0.233 29.573 29.700 0.178 0.000 0.764 178 E HN 0.359 nan 8.360 nan 0.000 0.449 179 R N -0.228 120.304 120.500 0.053 0.000 2.133 179 R HA -0.226 4.114 4.340 -0.000 0.000 0.245 179 R C 2.454 178.755 176.300 0.001 0.000 1.137 179 R CA 1.684 57.797 56.100 0.021 0.000 0.947 179 R CB -0.867 29.468 30.300 0.059 0.000 0.865 179 R HN 0.230 nan 8.270 nan 0.000 0.437 180 L N 1.596 122.849 121.223 0.051 0.000 2.013 180 L HA -0.237 4.103 4.340 -0.000 0.000 0.212 180 L C 2.352 179.237 176.870 0.025 0.000 1.073 180 L CA 1.861 56.738 54.840 0.062 0.000 0.753 180 L CB -0.491 41.602 42.059 0.057 0.000 0.890 180 L HN 0.090 nan 8.230 nan 0.000 0.432 181 K N -0.941 119.483 120.400 0.040 0.000 2.160 181 K HA -0.260 4.060 4.320 -0.000 0.000 0.206 181 K C 1.961 178.511 176.600 -0.082 0.000 1.047 181 K CA 1.848 58.145 56.287 0.018 0.000 0.930 181 K CB -0.077 32.462 32.500 0.066 0.000 0.720 181 K HN 0.514 nan 8.250 nan 0.000 0.450 182 Q N -1.027 118.649 119.800 -0.207 0.000 2.436 182 Q HA -0.087 4.253 4.340 -0.000 0.000 0.209 182 Q C 0.292 176.019 176.000 -0.456 0.000 0.965 182 Q CA 0.731 56.308 55.803 -0.376 0.000 0.910 182 Q CB 0.271 28.683 28.738 -0.543 0.000 0.980 182 Q HN 0.418 nan 8.270 nan 0.000 0.491 183 H N -0.876 118.198 119.070 0.006 0.000 2.549 183 H HA 0.330 4.886 4.556 0.000 0.000 0.253 183 H C -0.492 174.831 175.328 -0.009 0.000 1.170 183 H CA 0.012 56.059 56.048 -0.002 0.000 0.943 183 H CB 0.574 30.337 29.762 0.001 0.000 1.849 183 H HN -0.039 nan 8.280 nan 0.000 0.603 184 T N -0.213 114.375 114.554 0.057 0.000 2.906 184 T HA 0.175 4.525 4.350 -0.000 0.000 0.295 184 T C 0.716 175.412 174.700 -0.005 0.000 1.061 184 T CA -0.656 61.458 62.100 0.023 0.000 1.000 184 T CB 2.716 71.596 68.868 0.019 0.000 1.103 184 T HN 0.060 nan 8.240 nan 0.000 0.486 185 D N 0.905 121.287 120.400 -0.029 0.000 2.301 185 D HA 0.071 4.711 4.640 -0.000 0.000 0.206 185 D C 0.678 176.952 176.300 -0.043 0.000 0.979 185 D CA 1.007 54.982 54.000 -0.042 0.000 0.874 185 D CB 0.661 41.423 40.800 -0.063 0.000 0.968 185 D HN 0.554 nan 8.370 nan 0.000 0.510 186 T N 0.470 114.998 114.554 -0.044 0.000 3.483 186 T HA 0.325 4.675 4.350 -0.000 0.000 0.329 186 T C -1.996 172.698 174.700 -0.011 0.000 1.014 186 T CA -0.729 61.355 62.100 -0.027 0.000 1.056 186 T CB 0.756 69.602 68.868 -0.037 0.000 1.090 186 T HN -0.163 nan 8.240 nan 0.000 0.460 187 L N 6.619 127.851 121.223 0.016 0.000 2.272 187 L HA 0.765 5.105 4.340 -0.000 0.000 0.289 187 L C -0.873 176.025 176.870 0.046 0.000 1.032 187 L CA -0.367 54.495 54.840 0.037 0.000 0.810 187 L CB 1.236 43.333 42.059 0.062 0.000 1.205 187 L HN 0.549 nan 8.230 nan 0.000 0.422 188 V N 6.087 126.028 119.914 0.045 0.000 2.384 188 V HA 0.592 4.712 4.120 -0.000 0.000 0.287 188 V C -0.308 175.803 176.094 0.029 0.000 1.020 188 V CA -0.712 61.615 62.300 0.045 0.000 0.850 188 V CB 1.588 33.448 31.823 0.062 0.000 0.987 188 V HN 0.574 nan 8.190 nan 0.000 0.436 189 V N 3.237 123.160 119.914 0.016 0.000 2.604 189 V HA 0.758 4.878 4.120 -0.000 0.000 0.305 189 V C -0.795 175.284 176.094 -0.026 0.000 1.043 189 V CA -0.866 61.425 62.300 -0.015 0.000 0.888 189 V CB 1.800 33.600 31.823 -0.037 0.000 0.995 189 V HN 0.589 nan 8.190 nan 0.000 0.429 190 I N 4.766 125.306 120.570 -0.049 0.000 2.389 190 I HA 0.535 4.705 4.170 -0.000 0.000 0.288 190 I C -2.599 173.457 176.117 -0.102 0.000 0.999 190 I CA -2.209 59.053 61.300 -0.063 0.000 1.129 190 I CB 2.005 39.967 38.000 -0.063 0.000 1.288 190 I HN 0.438 nan 8.210 nan 0.000 0.444 191 P HA 0.257 nan 4.420 nan 0.000 0.260 191 P C 0.389 177.569 177.300 -0.199 0.000 1.651 191 P CA -0.032 62.992 63.100 -0.126 0.000 1.139 191 P CB 0.014 31.670 31.700 -0.073 0.000 1.756 192 N N 1.701 120.202 118.700 -0.332 0.000 2.144 192 N HA -0.301 4.439 4.740 -0.000 0.000 0.195 192 N C 1.651 176.791 175.510 -0.616 0.000 1.006 192 N CA 1.108 53.792 53.050 -0.609 0.000 0.880 192 N CB -0.057 37.777 38.487 -1.089 0.000 1.018 192 N HN 0.385 nan 8.380 nan 0.000 0.443 193 E N 1.498 121.466 120.200 -0.388 0.000 2.097 193 E HA -0.176 4.174 4.350 -0.000 0.000 0.196 193 E C 1.370 178.019 176.600 0.081 0.000 1.000 193 E CA 1.303 57.705 56.400 0.003 0.000 0.804 193 E CB 0.075 29.824 29.700 0.081 0.000 0.740 193 E HN 0.099 nan 8.360 nan 0.000 0.454 194 K N -0.027 120.370 120.400 -0.004 0.000 2.360 194 K HA -0.130 4.190 4.320 -0.000 0.000 0.201 194 K C 1.809 178.424 176.600 0.024 0.000 1.046 194 K CA 0.391 56.695 56.287 0.029 0.000 0.940 194 K CB -0.297 32.202 32.500 -0.001 0.000 0.748 194 K HN 0.207 nan 8.250 nan 0.000 0.465 195 L N 0.004 121.198 121.223 -0.047 0.000 2.042 195 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 195 L C 1.903 178.749 176.870 -0.040 0.000 1.076 195 L CA 1.557 56.347 54.840 -0.082 0.000 0.749 195 L CB -0.960 41.008 42.059 -0.152 0.000 0.893 195 L HN 0.055 nan 8.230 nan 0.000 0.432 196 F N -0.131 119.902 119.950 0.138 0.000 2.529 196 F HA -0.154 4.373 4.527 -0.000 0.000 0.297 196 F C 2.323 178.156 175.800 0.055 0.000 1.114 196 F CA 0.705 58.760 58.000 0.090 0.000 1.467 196 F CB -0.676 38.378 39.000 0.090 0.000 1.096 196 F HN 0.277 nan 8.300 nan 0.000 0.586 197 E N -0.514 119.801 120.200 0.192 0.000 2.478 197 E HA 0.017 4.367 4.350 -0.000 0.000 0.194 197 E C 1.854 178.506 176.600 0.086 0.000 1.045 197 E CA 0.267 56.740 56.400 0.122 0.000 0.868 197 E CB 0.165 29.917 29.700 0.088 0.000 0.885 197 E HN 0.433 nan 8.360 nan 0.000 0.505 198 I N -0.955 119.663 120.570 0.080 0.000 3.393 198 I HA 0.038 4.208 4.170 -0.000 0.000 0.250 198 I C 0.817 176.971 176.117 0.061 0.000 1.122 198 I CA -0.021 61.310 61.300 0.052 0.000 1.484 198 I CB 0.491 38.506 38.000 0.025 0.000 1.468 198 I HN -0.150 nan 8.210 nan 0.000 0.461 199 V N 2.122 122.074 119.914 0.064 0.000 2.904 199 V HA 0.274 4.394 4.120 -0.000 0.000 0.305 199 V C -2.116 174.074 176.094 0.159 0.000 1.067 199 V CA -1.644 60.701 62.300 0.075 0.000 1.044 199 V CB 1.508 33.347 31.823 0.027 0.000 1.050 199 V HN -0.021 nan 8.190 nan 0.000 0.475 200 P HA 0.170 nan 4.420 nan 0.000 0.275 200 P C -0.821 176.611 177.300 0.220 0.000 1.266 200 P CA -0.524 62.661 63.100 0.142 0.000 0.793 200 P CB 0.326 32.070 31.700 0.073 0.000 1.074 201 N N 1.314 120.067 118.700 0.089 0.000 2.412 201 N HA 0.141 4.881 4.740 -0.000 0.000 0.254 201 N C -0.007 175.525 175.510 0.037 0.000 1.232 201 N CA 0.956 53.980 53.050 -0.044 0.000 0.880 201 N CB -0.117 38.288 38.487 -0.136 0.000 1.076 201 N HN 0.448 nan 8.380 nan 0.000 0.458 202 M N -0.997 118.639 119.600 0.060 0.000 2.605 202 M HA 0.444 4.924 4.480 -0.000 0.000 0.281 202 M C -3.159 173.128 176.300 -0.023 0.000 1.166 202 M CA -1.641 53.685 55.300 0.042 0.000 0.875 202 M CB 1.697 34.348 32.600 0.085 0.000 1.732 202 M HN 0.013 nan 8.290 nan 0.000 0.504 203 P HA -0.042 nan 4.420 nan 0.000 0.266 203 P C 0.710 177.883 177.300 -0.211 0.000 1.186 203 P CA -0.450 62.576 63.100 -0.124 0.000 0.767 203 P CB 0.509 32.152 31.700 -0.095 0.000 0.820 204 L N 2.539 123.582 121.223 -0.299 0.000 2.349 204 L HA -0.179 4.161 4.340 -0.000 0.000 0.220 204 L C 1.750 178.202 176.870 -0.696 0.000 1.130 204 L CA 1.960 56.461 54.840 -0.566 0.000 0.791 204 L CB -0.541 41.222 42.059 -0.493 0.000 0.918 204 L HN 0.487 nan 8.230 nan 0.000 0.444 205 K N -0.501 119.692 120.400 -0.346 0.000 2.044 205 K HA -0.159 4.161 4.320 -0.000 0.000 0.204 205 K C 1.998 178.546 176.600 -0.087 0.000 1.049 205 K CA 0.816 56.998 56.287 -0.175 0.000 0.945 205 K CB 0.118 32.581 32.500 -0.061 0.000 0.724 205 K HN 0.232 nan 8.250 nan 0.000 0.440 206 L N 1.198 122.364 121.223 -0.094 0.000 2.156 206 L HA 0.046 4.386 4.340 -0.000 0.000 0.208 206 L C 2.480 179.323 176.870 -0.045 0.000 1.095 206 L CA 1.588 56.407 54.840 -0.035 0.000 0.770 206 L CB -1.179 40.864 42.059 -0.026 0.000 0.914 206 L HN 0.224 nan 8.230 nan 0.000 0.439 207 A N -0.661 122.056 122.820 -0.172 0.000 1.908 207 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 207 A C 2.139 179.753 177.584 0.050 0.000 1.181 207 A CA 1.441 53.330 52.037 -0.248 0.000 0.627 207 A CB -0.815 17.717 19.000 -0.779 0.000 0.818 207 A HN 0.293 nan 8.150 nan 0.000 0.445 208 F N 0.568 120.512 119.950 -0.011 0.000 2.202 208 F HA -0.153 4.374 4.527 -0.000 0.000 0.301 208 F C 2.244 178.078 175.800 0.056 0.000 1.082 208 F CA 1.317 59.375 58.000 0.096 0.000 1.313 208 F CB -0.452 38.588 39.000 0.066 0.000 1.024 208 F HN 0.150 nan 8.300 nan 0.000 0.495 209 K N 0.201 120.730 120.400 0.215 0.000 2.026 209 K HA -0.086 4.234 4.320 -0.000 0.000 0.208 209 K C 2.366 179.019 176.600 0.088 0.000 1.048 209 K CA 1.020 57.377 56.287 0.117 0.000 0.929 209 K CB -1.250 31.293 32.500 0.072 0.000 0.713 209 K HN 0.148 nan 8.250 nan 0.000 0.439 210 V N 1.950 121.911 119.914 0.079 0.000 2.282 210 V HA -0.300 3.820 4.120 -0.000 0.000 0.249 210 V C 2.504 178.635 176.094 0.062 0.000 1.057 210 V CA 2.136 64.466 62.300 0.050 0.000 1.032 210 V CB -0.900 30.935 31.823 0.020 0.000 0.645 210 V HN 0.332 nan 8.190 nan 0.000 0.447 211 A N -0.287 122.608 122.820 0.125 0.000 1.858 211 A HA -0.275 4.045 4.320 -0.000 0.000 0.216 211 A C 2.036 179.645 177.584 0.042 0.000 1.190 211 A CA 1.970 54.061 52.037 0.089 0.000 0.617 211 A CB -0.787 18.315 19.000 0.170 0.000 0.827 211 A HN 0.560 nan 8.150 nan 0.000 0.443 212 D N -0.468 119.964 120.400 0.055 0.000 2.157 212 D HA -0.222 4.418 4.640 -0.000 0.000 0.191 212 D C 1.838 178.140 176.300 0.005 0.000 1.004 212 D CA 1.955 55.965 54.000 0.017 0.000 0.854 212 D CB -0.280 40.536 40.800 0.026 0.000 0.936 212 D HN 0.503 nan 8.370 nan 0.000 0.446 213 E N 0.519 120.726 120.200 0.011 0.000 2.005 213 E HA -0.131 4.218 4.350 -0.000 0.000 0.198 213 E C 2.340 178.934 176.600 -0.010 0.000 1.010 213 E CA 0.580 56.979 56.400 -0.001 0.000 0.825 213 E CB -0.554 29.147 29.700 0.002 0.000 0.769 213 E HN 0.021 nan 8.360 nan 0.000 0.456 214 V N 0.924 120.833 119.914 -0.009 0.000 2.313 214 V HA -0.323 3.797 4.120 -0.000 0.000 0.253 214 V C 2.514 178.595 176.094 -0.020 0.000 1.070 214 V CA 1.983 64.273 62.300 -0.017 0.000 1.057 214 V CB -0.576 31.235 31.823 -0.020 0.000 0.653 214 V HN 0.286 nan 8.190 nan 0.000 0.450 215 L N -1.350 119.860 121.223 -0.021 0.000 1.994 215 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 215 L C 2.385 179.238 176.870 -0.028 0.000 1.071 215 L CA 1.641 56.466 54.840 -0.024 0.000 0.745 215 L CB -0.406 41.636 42.059 -0.028 0.000 0.892 215 L HN 0.238 nan 8.230 nan 0.000 0.431 216 I N 0.132 120.684 120.570 -0.030 0.000 2.118 216 I HA -0.361 3.809 4.170 -0.000 0.000 0.241 216 I C 2.390 178.481 176.117 -0.043 0.000 1.070 216 I CA 1.435 62.712 61.300 -0.038 0.000 1.327 216 I CB -0.753 37.228 38.000 -0.032 0.000 1.034 216 I HN 0.319 nan 8.210 nan 0.000 0.405 217 N N 0.387 119.064 118.700 -0.038 0.000 2.104 217 N HA -0.180 4.560 4.740 -0.000 0.000 0.190 217 N C 1.815 177.300 175.510 -0.041 0.000 1.024 217 N CA 1.758 54.781 53.050 -0.044 0.000 0.853 217 N CB -0.050 38.413 38.487 -0.039 0.000 1.008 217 N HN 0.430 nan 8.380 nan 0.000 0.424 218 A N 0.348 123.152 122.820 -0.026 0.000 1.854 218 A HA -0.023 4.297 4.320 -0.000 0.000 0.214 218 A C 2.584 180.158 177.584 -0.017 0.000 1.192 218 A CA 1.280 53.313 52.037 -0.007 0.000 0.611 218 A CB -0.808 18.195 19.000 0.006 0.000 0.832 218 A HN 0.126 nan 8.150 nan 0.000 0.442 219 V N 0.352 120.239 119.914 -0.045 0.000 2.261 219 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 219 V C 2.559 178.540 176.094 -0.189 0.000 1.047 219 V CA 2.407 64.635 62.300 -0.121 0.000 1.015 219 V CB -0.673 31.083 31.823 -0.112 0.000 0.642 219 V HN 0.650 nan 8.190 nan 0.000 0.446 220 K N 0.176 120.503 120.400 -0.121 0.000 2.026 220 K HA -0.152 4.168 4.320 -0.000 0.000 0.208 220 K C 2.216 178.784 176.600 -0.054 0.000 1.048 220 K CA 1.649 57.873 56.287 -0.104 0.000 0.929 220 K CB -0.737 31.721 32.500 -0.070 0.000 0.713 220 K HN 0.481 nan 8.250 nan 0.000 0.439 221 G N 1.597 110.377 108.800 -0.033 0.000 2.469 221 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.219 221 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.219 221 G C 1.500 176.507 174.900 0.179 0.000 1.150 221 G CA 0.918 46.038 45.100 0.033 0.000 0.763 221 G HN 0.222 nan 8.290 nan 0.000 0.561 222 L N -0.254 121.008 121.223 0.065 0.000 1.988 222 L HA -0.068 4.272 4.340 -0.000 0.000 0.207 222 L C 3.055 179.950 176.870 0.041 0.000 1.071 222 L CA 0.699 55.599 54.840 0.099 0.000 0.744 222 L CB -0.611 41.538 42.059 0.150 0.000 0.893 222 L HN 0.116 nan 8.230 nan 0.000 0.433 223 V N 0.243 120.046 119.914 -0.186 0.000 2.231 223 V HA -0.352 3.768 4.120 -0.000 0.000 0.250 223 V C 2.337 178.413 176.094 -0.030 0.000 1.058 223 V CA 2.141 64.326 62.300 -0.192 0.000 1.022 223 V CB -0.599 31.007 31.823 -0.362 0.000 0.640 223 V HN 0.502 nan 8.190 nan 0.000 0.445 224 E N -0.280 119.921 120.200 0.003 0.000 2.333 224 E HA -0.219 4.131 4.350 -0.000 0.000 0.198 224 E C 2.012 178.614 176.600 0.004 0.000 1.007 224 E CA 1.006 57.438 56.400 0.054 0.000 0.845 224 E CB -0.229 29.544 29.700 0.123 0.000 0.766 224 E HN 0.495 nan 8.360 nan 0.000 0.507 225 L N 0.577 121.770 121.223 -0.050 0.000 2.201 225 L HA -0.093 4.247 4.340 -0.000 0.000 0.212 225 L C 1.780 178.545 176.870 -0.176 0.000 1.105 225 L CA 1.418 56.027 54.840 -0.386 0.000 0.775 225 L CB -0.011 41.933 42.059 -0.191 0.000 0.913 225 L HN 0.035 nan 8.230 nan 0.000 0.440 226 I N -1.119 119.433 120.570 -0.031 0.000 2.512 226 I HA -0.121 4.049 4.170 -0.000 0.000 0.247 226 I C 2.146 178.270 176.117 0.011 0.000 1.094 226 I CA 1.250 62.572 61.300 0.036 0.000 1.427 226 I CB -0.446 37.650 38.000 0.159 0.000 1.149 226 I HN 0.367 nan 8.210 nan 0.000 0.438 227 T N -1.673 112.882 114.554 0.001 0.000 3.081 227 T HA 0.011 4.361 4.350 -0.000 0.000 0.255 227 T C 0.825 175.512 174.700 -0.021 0.000 1.113 227 T CA 0.030 62.120 62.100 -0.016 0.000 1.082 227 T CB -0.039 68.817 68.868 -0.020 0.000 0.939 227 T HN 0.030 nan 8.240 nan 0.000 0.506 228 K N 1.770 122.157 120.400 -0.021 0.000 2.183 228 K HA 0.207 4.527 4.320 -0.000 0.000 0.274 228 K C -1.019 175.568 176.600 -0.021 0.000 1.009 228 K CA -0.700 55.581 56.287 -0.009 0.000 0.888 228 K CB 0.722 33.236 32.500 0.024 0.000 1.078 228 K HN 0.136 nan 8.250 nan 0.000 0.459 229 D N 2.641 123.034 120.400 -0.012 0.000 2.383 229 D HA 0.149 4.789 4.640 -0.000 0.000 0.252 229 D C 0.148 176.446 176.300 -0.003 0.000 1.166 229 D CA 0.443 54.436 54.000 -0.013 0.000 0.879 229 D CB 1.619 42.414 40.800 -0.007 0.000 1.164 229 D HN 0.757 nan 8.370 nan 0.000 0.462 230 G N 0.557 109.350 108.800 -0.010 0.000 3.222 230 G HA2 0.348 4.308 3.960 -0.000 0.000 0.263 230 G HA3 0.348 4.308 3.960 -0.000 0.000 0.263 230 G C 0.810 175.715 174.900 0.008 0.000 1.312 230 G CA -0.654 44.450 45.100 0.006 0.000 0.934 230 G HN 0.411 nan 8.290 nan 0.000 0.577 231 L N -0.360 120.876 121.223 0.021 0.000 2.551 231 L HA 0.299 4.639 4.340 -0.000 0.000 0.228 231 L C 0.336 177.218 176.870 0.020 0.000 1.153 231 L CA 0.891 55.746 54.840 0.025 0.000 0.851 231 L CB -0.518 41.564 42.059 0.038 0.000 0.959 231 L HN 0.121 nan 8.230 nan 0.000 0.451 232 I N -0.852 119.720 120.570 0.003 0.000 2.647 232 I HA 0.177 4.347 4.170 -0.000 0.000 0.295 232 I C -0.489 175.591 176.117 -0.062 0.000 1.078 232 I CA -0.671 60.618 61.300 -0.019 0.000 1.048 232 I CB 2.282 40.276 38.000 -0.011 0.000 1.239 232 I HN -0.051 nan 8.210 nan 0.000 0.421 233 N N 3.133 121.792 118.700 -0.068 0.000 2.520 233 N HA 0.324 5.064 4.740 -0.000 0.000 0.273 233 N C -0.913 174.523 175.510 -0.124 0.000 1.155 233 N CA -0.127 52.879 53.050 -0.073 0.000 0.967 233 N CB 1.750 40.208 38.487 -0.048 0.000 1.092 233 N HN 0.245 nan 8.380 nan 0.000 0.457 234 V N 2.156 122.010 119.914 -0.099 0.000 2.380 234 V HA 0.231 4.351 4.120 -0.000 0.000 0.286 234 V C -1.123 174.946 176.094 -0.041 0.000 1.015 234 V CA -0.802 61.430 62.300 -0.113 0.000 0.834 234 V CB 1.211 32.959 31.823 -0.125 0.000 1.009 234 V HN 0.651 nan 8.190 nan 0.000 0.428 235 D N 4.420 124.796 120.400 -0.039 0.000 2.343 235 D HA 0.140 4.780 4.640 -0.000 0.000 0.255 235 D C 0.701 177.033 176.300 0.054 0.000 1.187 235 D CA -0.094 53.915 54.000 0.014 0.000 0.875 235 D CB 1.027 41.821 40.800 -0.009 0.000 1.136 235 D HN 0.500 nan 8.370 nan 0.000 0.469 236 F N 4.177 124.105 119.950 -0.037 0.000 2.250 236 F HA -0.112 4.415 4.527 -0.000 0.000 0.301 236 F C 1.979 177.765 175.800 -0.023 0.000 1.077 236 F CA 1.493 59.477 58.000 -0.026 0.000 1.348 236 F CB -0.152 38.836 39.000 -0.020 0.000 1.040 236 F HN 0.499 nan 8.300 nan 0.000 0.509 237 A N -0.117 122.695 122.820 -0.012 0.000 1.933 237 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 237 A C 1.999 179.490 177.584 -0.156 0.000 1.175 237 A CA 2.000 53.980 52.037 -0.095 0.000 0.628 237 A CB -0.823 18.171 19.000 -0.011 0.000 0.814 237 A HN 0.414 nan 8.150 nan 0.000 0.444 238 D N -0.473 119.857 120.400 -0.117 0.000 2.194 238 D HA -0.042 4.598 4.640 -0.000 0.000 0.204 238 D C 2.071 178.282 176.300 -0.148 0.000 0.964 238 D CA 1.088 55.023 54.000 -0.109 0.000 0.846 238 D CB -0.335 40.419 40.800 -0.077 0.000 0.962 238 D HN 0.219 nan 8.370 nan 0.000 0.490 239 V N 1.184 120.979 119.914 -0.198 0.000 2.295 239 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 239 V C 2.487 178.405 176.094 -0.294 0.000 1.049 239 V CA 1.597 63.773 62.300 -0.207 0.000 1.024 239 V CB -0.370 31.343 31.823 -0.184 0.000 0.648 239 V HN 0.122 nan 8.190 nan 0.000 0.447 240 K N -0.093 120.005 120.400 -0.503 0.000 2.147 240 K HA -0.165 4.155 4.320 -0.000 0.000 0.205 240 K C 2.100 178.556 176.600 -0.240 0.000 1.049 240 K CA 1.457 57.467 56.287 -0.461 0.000 0.936 240 K CB -0.283 31.853 32.500 -0.605 0.000 0.722 240 K HN 0.458 nan 8.250 nan 0.000 0.446 241 A N 0.312 123.019 122.820 -0.189 0.000 1.832 241 A HA -0.094 4.226 4.320 -0.000 0.000 0.214 241 A C 2.189 179.718 177.584 -0.092 0.000 1.200 241 A CA 1.594 53.562 52.037 -0.115 0.000 0.610 241 A CB -0.771 18.176 19.000 -0.088 0.000 0.842 241 A HN 0.125 nan 8.150 nan 0.000 0.444 242 V N 0.067 119.930 119.914 -0.085 0.000 2.469 242 V HA -0.282 3.838 4.120 -0.000 0.000 0.251 242 V C 2.416 178.476 176.094 -0.058 0.000 1.064 242 V CA 2.150 64.417 62.300 -0.056 0.000 1.066 242 V CB -0.756 31.044 31.823 -0.038 0.000 0.667 242 V HN 0.550 nan 8.190 nan 0.000 0.461 243 M N -0.640 118.909 119.600 -0.085 0.000 2.502 243 M HA 0.085 4.565 4.480 -0.000 0.000 0.243 243 M C 1.680 177.928 176.300 -0.085 0.000 1.130 243 M CA 0.258 55.509 55.300 -0.081 0.000 1.055 243 M CB -0.301 32.239 32.600 -0.100 0.000 1.457 243 M HN 0.294 nan 8.290 nan 0.000 0.488 244 N N 2.435 121.081 118.700 -0.089 0.000 2.453 244 N HA -0.084 4.656 4.740 -0.000 0.000 0.183 244 N C 0.169 175.647 175.510 -0.054 0.000 1.041 244 N CA 0.955 53.959 53.050 -0.076 0.000 0.900 244 N CB -0.030 38.411 38.487 -0.076 0.000 0.961 244 N HN 0.649 nan 8.380 nan 0.000 0.443 245 N N -2.310 116.361 118.700 -0.048 0.000 2.588 245 N HA 0.202 4.942 4.740 -0.000 0.000 0.298 245 N C 1.027 176.518 175.510 -0.031 0.000 1.718 245 N CA -0.312 52.716 53.050 -0.036 0.000 0.888 245 N CB 0.454 38.922 38.487 -0.032 0.000 1.389 245 N HN -0.185 nan 8.380 nan 0.000 0.491 246 G N 0.224 109.005 108.800 -0.032 0.000 2.448 246 G HA2 0.163 4.123 3.960 -0.000 0.000 0.219 246 G HA3 0.163 4.123 3.960 -0.000 0.000 0.219 246 G C 1.137 176.030 174.900 -0.012 0.000 1.127 246 G CA 0.678 45.766 45.100 -0.020 0.000 0.766 246 G HN 0.725 nan 8.290 nan 0.000 0.552 247 G N -0.214 108.576 108.800 -0.017 0.000 2.602 247 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.310 247 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.310 247 G C 0.109 175.012 174.900 0.004 0.000 1.183 247 G CA 0.323 45.414 45.100 -0.015 0.000 0.979 247 G HN 0.745 nan 8.290 nan 0.000 0.545 248 L N 1.381 122.611 121.223 0.012 0.000 2.329 248 L HA 0.711 5.051 4.340 -0.000 0.000 0.279 248 L C 0.366 177.259 176.870 0.038 0.000 1.014 248 L CA -0.116 54.751 54.840 0.045 0.000 0.814 248 L CB 1.374 43.472 42.059 0.064 0.000 1.257 248 L HN 1.337 nan 8.230 nan 0.000 0.424 249 A N 5.788 128.635 122.820 0.045 0.000 2.498 249 A HA 0.837 5.157 4.320 -0.000 0.000 0.298 249 A C -1.131 176.477 177.584 0.040 0.000 1.075 249 A CA -0.651 51.409 52.037 0.038 0.000 0.714 249 A CB 2.168 21.190 19.000 0.036 0.000 1.299 249 A HN 0.741 nan 8.150 nan 0.000 0.407 250 M N 2.651 122.272 119.600 0.035 0.000 2.327 250 M HA 0.388 4.868 4.480 -0.000 0.000 0.298 250 M C -0.359 175.957 176.300 0.027 0.000 1.065 250 M CA -0.382 54.935 55.300 0.029 0.000 0.916 250 M CB 1.955 34.571 32.600 0.026 0.000 1.630 250 M HN 0.810 nan 8.290 nan 0.000 0.442 251 I N 1.552 122.135 120.570 0.022 0.000 2.938 251 I HA 0.553 4.723 4.170 -0.000 0.000 0.285 251 I C -0.023 176.103 176.117 0.015 0.000 1.182 251 I CA 0.395 61.708 61.300 0.021 0.000 1.388 251 I CB 0.860 38.868 38.000 0.014 0.000 1.390 251 I HN 0.796 nan 8.210 nan 0.000 0.600 252 G N 7.688 116.498 108.800 0.016 0.000 2.608 252 G HA2 0.534 4.494 3.960 -0.000 0.000 0.285 252 G HA3 0.534 4.494 3.960 -0.000 0.000 0.285 252 G C -1.289 173.617 174.900 0.009 0.000 1.407 252 G CA -0.506 44.601 45.100 0.012 0.000 1.276 252 G HN 0.564 nan 8.290 nan 0.000 0.587 253 I N 1.373 121.945 120.570 0.003 0.000 2.603 253 I HA 0.858 5.028 4.170 -0.000 0.000 0.300 253 I C 0.570 176.687 176.117 -0.001 0.000 1.017 253 I CA -0.905 60.394 61.300 -0.002 0.000 1.098 253 I CB 2.547 40.542 38.000 -0.008 0.000 1.279 253 I HN 0.642 nan 8.210 nan 0.000 0.437 254 G N 3.557 112.355 108.800 -0.003 0.000 2.677 254 G HA2 0.729 4.689 3.960 -0.000 0.000 0.291 254 G HA3 0.729 4.689 3.960 -0.000 0.000 0.291 254 G C -1.937 172.960 174.900 -0.006 0.000 1.435 254 G CA -0.491 44.608 45.100 -0.002 0.000 0.826 254 G HN 0.731 nan 8.290 nan 0.000 0.491 255 E N -1.101 119.096 120.200 -0.004 0.000 2.400 255 E HA 0.593 4.943 4.350 -0.000 0.000 0.285 255 E C -1.381 175.218 176.600 -0.001 0.000 1.005 255 E CA -0.935 55.462 56.400 -0.005 0.000 0.816 255 E CB 1.606 31.300 29.700 -0.010 0.000 1.220 255 E HN 0.592 nan 8.360 nan 0.000 0.426 256 S N 0.286 115.985 115.700 -0.001 0.000 2.632 256 S HA 0.396 4.866 4.470 -0.000 0.000 0.289 256 S C -0.848 173.753 174.600 0.001 0.000 1.115 256 S CA -0.369 57.831 58.200 0.001 0.000 0.889 256 S CB 1.933 65.135 63.200 0.002 0.000 1.116 256 S HN 0.698 nan 8.310 nan 0.000 0.486 257 D N 0.425 120.826 120.400 0.002 0.000 2.448 257 D HA 0.150 4.790 4.640 -0.000 0.000 0.256 257 D C 1.042 177.343 176.300 0.003 0.000 1.108 257 D CA 0.538 54.539 54.000 0.002 0.000 0.848 257 D CB 0.427 41.228 40.800 0.002 0.000 1.281 257 D HN 0.589 nan 8.370 nan 0.000 0.509 258 S N 0.415 116.117 115.700 0.003 0.000 2.592 258 S HA 0.028 4.498 4.470 -0.000 0.000 0.247 258 S C 1.425 176.027 174.600 0.003 0.000 1.322 258 S CA -0.030 58.172 58.200 0.003 0.000 0.973 258 S CB 0.486 63.688 63.200 0.003 0.000 0.971 258 S HN -0.038 nan 8.310 nan 0.000 0.545 259 E N 1.502 121.704 120.200 0.003 0.000 2.015 259 E HA -0.075 4.275 4.350 -0.000 0.000 0.191 259 E C 1.128 177.730 176.600 0.004 0.000 0.991 259 E CA 1.119 57.520 56.400 0.003 0.000 0.802 259 E CB -0.278 29.423 29.700 0.003 0.000 0.759 259 E HN 0.736 nan 8.360 nan 0.000 0.447 260 K N 2.409 122.811 120.400 0.003 0.000 3.173 260 K HA 0.112 4.432 4.320 -0.000 0.000 0.255 260 K C 1.155 177.757 176.600 0.004 0.000 1.235 260 K CA -0.123 56.166 56.287 0.003 0.000 1.250 260 K CB -0.203 32.298 32.500 0.003 0.000 1.382 260 K HN 0.111 nan 8.250 nan 0.000 0.421 261 R N 0.164 120.667 120.500 0.004 0.000 2.134 261 R HA -0.258 4.082 4.340 -0.000 0.000 0.248 261 R C 1.882 178.185 176.300 0.005 0.000 1.143 261 R CA 1.783 57.886 56.100 0.004 0.000 0.957 261 R CB -1.084 29.219 30.300 0.005 0.000 0.867 261 R HN 0.230 nan 8.270 nan 0.000 0.441 262 A N 1.812 124.636 122.820 0.006 0.000 1.841 262 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 262 A C 2.276 179.863 177.584 0.005 0.000 1.199 262 A CA 1.952 53.993 52.037 0.008 0.000 0.621 262 A CB -0.641 18.364 19.000 0.008 0.000 0.835 262 A HN 0.409 nan 8.150 nan 0.000 0.445 263 K N -0.183 120.219 120.400 0.003 0.000 2.160 263 K HA -0.201 4.119 4.320 -0.000 0.000 0.206 263 K C 1.885 178.486 176.600 0.002 0.000 1.047 263 K CA 2.052 58.340 56.287 0.001 0.000 0.930 263 K CB -0.152 32.349 32.500 0.001 0.000 0.720 263 K HN 0.697 nan 8.250 nan 0.000 0.450 264 E N -1.003 119.199 120.200 0.003 0.000 2.030 264 E HA -0.026 4.324 4.350 -0.000 0.000 0.189 264 E C 1.993 178.595 176.600 0.004 0.000 0.974 264 E CA 0.621 57.023 56.400 0.003 0.000 0.807 264 E CB -0.178 29.524 29.700 0.003 0.000 0.771 264 E HN 0.371 nan 8.360 nan 0.000 0.451 265 A N 1.170 123.993 122.820 0.004 0.000 1.915 265 A HA -0.261 4.059 4.320 -0.000 0.000 0.220 265 A C 2.449 180.036 177.584 0.005 0.000 1.198 265 A CA 2.038 54.077 52.037 0.004 0.000 0.647 265 A CB -1.136 17.866 19.000 0.003 0.000 0.825 265 A HN 0.151 nan 8.150 nan 0.000 0.456 266 V N 0.835 120.753 119.914 0.006 0.000 2.214 266 V HA -0.304 3.816 4.120 -0.000 0.000 0.245 266 V C 2.887 178.984 176.094 0.006 0.000 1.047 266 V CA 2.661 64.966 62.300 0.007 0.000 0.998 266 V CB -1.461 30.364 31.823 0.004 0.000 0.633 266 V HN 0.824 nan 8.190 nan 0.000 0.446 267 S N -0.301 115.401 115.700 0.004 0.000 2.462 267 S HA -0.280 4.190 4.470 -0.000 0.000 0.243 267 S C 1.899 176.502 174.600 0.006 0.000 1.003 267 S CA 2.153 60.355 58.200 0.004 0.000 0.970 267 S CB -0.694 62.508 63.200 0.003 0.000 0.762 267 S HN 0.571 nan 8.310 nan 0.000 0.510 268 M N 1.340 120.944 119.600 0.006 0.000 2.160 268 M HA 0.114 4.594 4.480 -0.000 0.000 0.264 268 M C 2.350 178.654 176.300 0.007 0.000 1.073 268 M CA 1.426 56.730 55.300 0.006 0.000 1.142 268 M CB -0.420 32.184 32.600 0.005 0.000 1.358 268 M HN 0.458 nan 8.290 nan 0.000 0.422 269 A N 0.467 123.291 122.820 0.007 0.000 1.930 269 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 269 A C 1.937 179.527 177.584 0.010 0.000 1.175 269 A CA 1.109 53.151 52.037 0.008 0.000 0.627 269 A CB -0.956 18.050 19.000 0.010 0.000 0.815 269 A HN 0.576 nan 8.150 nan 0.000 0.443 270 L N -0.754 120.475 121.223 0.010 0.000 2.456 270 L HA -0.105 4.235 4.340 -0.000 0.000 0.224 270 L C 1.237 178.113 176.870 0.010 0.000 1.148 270 L CA 1.007 55.853 54.840 0.010 0.000 0.825 270 L CB -0.336 41.728 42.059 0.007 0.000 0.937 270 L HN 0.499 nan 8.230 nan 0.000 0.450 271 N N -1.612 117.093 118.700 0.010 0.000 2.200 271 N HA 0.015 4.755 4.740 -0.000 0.000 0.224 271 N C 0.224 175.741 175.510 0.012 0.000 1.179 271 N CA -0.243 52.813 53.050 0.011 0.000 0.877 271 N CB 0.750 39.243 38.487 0.010 0.000 1.072 271 N HN -0.030 nan 8.380 nan 0.000 0.519 272 S N 2.471 118.177 115.700 0.011 0.000 2.498 272 S HA 0.093 4.563 4.470 -0.000 0.000 0.281 272 S C -1.183 173.423 174.600 0.011 0.000 1.265 272 S CA -1.390 56.816 58.200 0.010 0.000 1.071 272 S CB 0.625 63.829 63.200 0.007 0.000 0.894 272 S HN 0.181 nan 8.310 nan 0.000 0.491 273 P HA -0.126 nan 4.420 nan 0.000 0.224 273 P C 1.151 178.456 177.300 0.008 0.000 1.142 273 P CA 0.567 63.676 63.100 0.016 0.000 0.778 273 P CB 0.112 31.826 31.700 0.025 0.000 0.764 274 L N -1.115 120.109 121.223 0.001 0.000 2.291 274 L HA -0.012 4.328 4.340 -0.000 0.000 0.214 274 L C 1.877 178.746 176.870 -0.001 0.000 1.120 274 L CA 1.073 55.909 54.840 -0.008 0.000 0.799 274 L CB -0.880 41.172 42.059 -0.013 0.000 0.925 274 L HN -0.025 nan 8.230 nan 0.000 0.446 275 L N 0.435 121.662 121.223 0.007 0.000 2.480 275 L HA 0.068 4.408 4.340 -0.000 0.000 0.243 275 L C -0.123 176.756 176.870 0.014 0.000 1.315 275 L CA -0.256 54.591 54.840 0.012 0.000 1.231 275 L CB -0.311 41.756 42.059 0.013 0.000 1.444 275 L HN 0.044 nan 8.230 nan 0.000 0.409 276 D N 1.854 122.262 120.400 0.013 0.000 2.508 276 D HA 0.313 4.953 4.640 -0.000 0.000 0.224 276 D C -0.653 175.661 176.300 0.023 0.000 1.171 276 D CA 0.382 54.392 54.000 0.017 0.000 1.006 276 D CB 0.318 41.126 40.800 0.014 0.000 1.073 276 D HN 0.069 nan 8.370 nan 0.000 0.513 277 V N 2.410 122.337 119.914 0.021 0.000 2.989 277 V HA 0.128 4.248 4.120 -0.000 0.000 0.259 277 V C -1.727 174.377 176.094 0.018 0.000 1.813 277 V CA -1.090 61.224 62.300 0.023 0.000 0.939 277 V CB 1.975 33.815 31.823 0.028 0.000 1.361 277 V HN 0.236 nan 8.190 nan 0.000 0.454 278 D N 3.276 123.685 120.400 0.016 0.000 2.345 278 D HA 0.410 5.050 4.640 -0.000 0.000 0.247 278 D C 0.838 177.145 176.300 0.011 0.000 1.108 278 D CA 0.346 54.353 54.000 0.012 0.000 0.894 278 D CB 1.362 42.168 40.800 0.010 0.000 1.203 278 D HN 0.742 nan 8.370 nan 0.000 0.430 279 I N -0.428 120.148 120.570 0.010 0.000 4.050 279 I HA 0.216 4.386 4.170 -0.000 0.000 0.327 279 I C 0.808 176.929 176.117 0.006 0.000 1.473 279 I CA -0.459 60.846 61.300 0.009 0.000 1.124 279 I CB 0.385 38.392 38.000 0.011 0.000 1.129 279 I HN 0.075 nan 8.210 nan 0.000 0.428 280 D N 2.149 122.552 120.400 0.005 0.000 2.182 280 D HA -0.144 4.496 4.640 -0.000 0.000 0.201 280 D C 1.639 177.940 176.300 0.001 0.000 0.986 280 D CA 1.448 55.449 54.000 0.002 0.000 0.847 280 D CB -0.422 40.379 40.800 0.002 0.000 0.942 280 D HN 0.410 nan 8.370 nan 0.000 0.467 281 G N -0.609 108.192 108.800 0.001 0.000 4.291 281 G HA2 0.496 4.456 3.960 -0.000 0.000 0.304 281 G HA3 0.496 4.456 3.960 -0.000 0.000 0.304 281 G C 0.055 174.956 174.900 0.001 0.000 1.264 281 G CA -0.165 44.935 45.100 -0.000 0.000 1.039 281 G HN 0.488 nan 8.290 nan 0.000 0.578 282 A N -0.190 122.632 122.820 0.003 0.000 2.520 282 A HA 0.473 4.793 4.320 -0.000 0.000 0.245 282 A C 1.402 178.988 177.584 0.004 0.000 1.072 282 A CA 0.599 52.639 52.037 0.005 0.000 0.761 282 A CB 0.657 19.662 19.000 0.009 0.000 1.004 282 A HN 0.218 nan 8.150 nan 0.000 0.499 283 T N 1.591 116.147 114.554 0.002 0.000 2.939 283 T HA 0.350 4.700 4.350 -0.000 0.000 0.254 283 T C 0.898 175.600 174.700 0.004 0.000 1.041 283 T CA 1.483 63.583 62.100 -0.000 0.000 1.142 283 T CB -0.159 68.706 68.868 -0.005 0.000 0.874 283 T HN 1.114 nan 8.240 nan 0.000 0.452 284 G N -0.460 108.344 108.800 0.007 0.000 2.694 284 G HA2 0.717 4.677 3.960 -0.000 0.000 0.290 284 G HA3 0.717 4.677 3.960 -0.000 0.000 0.290 284 G C -1.810 173.103 174.900 0.022 0.000 1.386 284 G CA -0.090 45.018 45.100 0.013 0.000 0.872 284 G HN 0.445 nan 8.290 nan 0.000 0.475 285 A N -0.396 122.445 122.820 0.034 0.000 2.594 285 A HA 0.794 5.114 4.320 -0.000 0.000 0.295 285 A C -1.702 175.921 177.584 0.065 0.000 1.071 285 A CA -0.523 51.542 52.037 0.047 0.000 0.685 285 A CB 1.399 20.426 19.000 0.046 0.000 1.285 285 A HN 0.851 nan 8.150 nan 0.000 0.405 286 L N 2.047 123.314 121.223 0.072 0.000 2.372 286 L HA 0.545 4.885 4.340 -0.000 0.000 0.273 286 L C -1.082 175.853 176.870 0.109 0.000 0.989 286 L CA -0.081 54.812 54.840 0.088 0.000 0.841 286 L CB 1.464 43.572 42.059 0.081 0.000 1.225 286 L HN 0.613 nan 8.230 nan 0.000 0.414 287 I N 2.307 122.961 120.570 0.140 0.000 2.404 287 I HA 0.327 4.497 4.170 -0.000 0.000 0.293 287 I C -0.466 175.774 176.117 0.206 0.000 0.992 287 I CA -0.505 60.889 61.300 0.157 0.000 1.149 287 I CB 1.709 39.800 38.000 0.153 0.000 1.315 287 I HN 0.608 nan 8.210 nan 0.000 0.446 288 H N 5.889 125.000 119.070 0.069 0.000 2.953 288 H HA 0.428 4.984 4.556 -0.000 0.000 0.290 288 H C -1.536 173.819 175.328 0.046 0.000 1.113 288 H CA -0.681 55.401 56.048 0.056 0.000 1.454 288 H CB 1.776 31.561 29.762 0.039 0.000 1.525 288 H HN 0.425 nan 8.280 nan 0.000 0.505 289 V N 7.290 127.377 119.914 0.287 0.000 2.406 289 V HA 0.365 4.485 4.120 -0.000 0.000 0.272 289 V C -0.536 175.642 176.094 0.139 0.000 1.043 289 V CA -0.060 62.327 62.300 0.144 0.000 0.915 289 V CB 0.698 32.589 31.823 0.113 0.000 0.988 289 V HN 0.781 nan 8.190 nan 0.000 0.466 290 M N 6.189 125.797 119.600 0.013 0.000 2.664 290 M HA 0.920 5.400 4.480 -0.000 0.000 0.314 290 M C 0.188 176.488 176.300 0.000 0.000 1.200 290 M CA -0.192 55.102 55.300 -0.010 0.000 0.916 290 M CB 2.339 34.858 32.600 -0.135 0.000 1.717 290 M HN 0.819 nan 8.290 nan 0.000 0.470 291 G N 0.495 109.301 108.800 0.009 0.000 2.428 291 G HA2 0.549 4.509 3.960 -0.000 0.000 0.304 291 G HA3 0.549 4.509 3.960 -0.000 0.000 0.304 291 G C -3.438 171.468 174.900 0.010 0.000 1.303 291 G CA -0.787 44.318 45.100 0.008 0.000 0.825 291 G HN 0.403 nan 8.290 nan 0.000 0.484 292 P HA 0.212 nan 4.420 nan 0.000 0.275 292 P C 0.346 177.654 177.300 0.012 0.000 1.266 292 P CA -0.009 63.096 63.100 0.009 0.000 0.793 292 P CB 1.499 33.202 31.700 0.006 0.000 1.074 293 E N 0.891 121.097 120.200 0.011 0.000 2.219 293 E HA -0.234 4.116 4.350 -0.000 0.000 0.198 293 E C 0.742 177.350 176.600 0.013 0.000 0.998 293 E CA 1.940 58.348 56.400 0.012 0.000 0.818 293 E CB -0.895 28.811 29.700 0.010 0.000 0.741 293 E HN 0.448 nan 8.360 nan 0.000 0.477 294 D N -0.455 119.952 120.400 0.012 0.000 2.370 294 D HA -0.002 4.638 4.640 -0.000 0.000 0.230 294 D C 0.119 176.428 176.300 0.015 0.000 1.143 294 D CA -0.373 53.635 54.000 0.012 0.000 0.834 294 D CB -0.422 40.384 40.800 0.010 0.000 0.944 294 D HN 0.153 nan 8.370 nan 0.000 0.504 295 L N 1.972 123.206 121.223 0.019 0.000 2.455 295 L HA 0.301 4.641 4.340 -0.000 0.000 0.272 295 L C 0.202 177.087 176.870 0.025 0.000 1.174 295 L CA 0.282 55.136 54.840 0.024 0.000 0.869 295 L CB 0.538 42.615 42.059 0.030 0.000 1.130 295 L HN 0.241 nan 8.230 nan 0.000 0.474 296 T N 1.963 116.532 114.554 0.025 0.000 2.932 296 T HA 0.411 4.761 4.350 -0.000 0.000 0.289 296 T C 1.290 176.008 174.700 0.031 0.000 1.039 296 T CA -0.830 61.285 62.100 0.025 0.000 1.024 296 T CB 0.888 69.767 68.868 0.019 0.000 1.090 296 T HN 0.569 nan 8.240 nan 0.000 0.496 297 L N 0.519 121.761 121.223 0.031 0.000 2.131 297 L HA -0.059 4.281 4.340 -0.000 0.000 0.210 297 L C 2.855 179.744 176.870 0.031 0.000 1.092 297 L CA 1.172 56.035 54.840 0.038 0.000 0.759 297 L CB -0.442 41.639 42.059 0.037 0.000 0.903 297 L HN 0.721 nan 8.230 nan 0.000 0.435 298 E N 0.366 120.579 120.200 0.021 0.000 2.038 298 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 298 E C 2.002 178.609 176.600 0.012 0.000 1.000 298 E CA 1.281 57.689 56.400 0.013 0.000 0.803 298 E CB -0.196 29.510 29.700 0.010 0.000 0.750 298 E HN 0.537 nan 8.360 nan 0.000 0.448 299 E N 0.867 121.076 120.200 0.016 0.000 2.033 299 E HA -0.220 4.130 4.350 -0.000 0.000 0.199 299 E C 2.079 178.691 176.600 0.020 0.000 1.011 299 E CA 1.403 57.812 56.400 0.016 0.000 0.815 299 E CB -0.232 29.480 29.700 0.020 0.000 0.755 299 E HN 0.247 nan 8.360 nan 0.000 0.451 300 A N 1.282 124.123 122.820 0.035 0.000 1.884 300 A HA -0.315 4.005 4.320 -0.000 0.000 0.219 300 A C 2.112 179.709 177.584 0.021 0.000 1.197 300 A CA 2.180 54.248 52.037 0.051 0.000 0.637 300 A CB -0.628 18.422 19.000 0.082 0.000 0.827 300 A HN 0.058 nan 8.150 nan 0.000 0.450 301 R N -0.172 120.333 120.500 0.009 0.000 2.094 301 R HA -0.212 4.128 4.340 -0.000 0.000 0.239 301 R C 2.143 178.415 176.300 -0.046 0.000 1.137 301 R CA 2.199 58.280 56.100 -0.031 0.000 0.943 301 R CB -0.595 29.697 30.300 -0.014 0.000 0.850 301 R HN 0.648 nan 8.270 nan 0.000 0.433 302 E N -0.467 119.720 120.200 -0.022 0.000 2.049 302 E HA -0.169 4.181 4.350 -0.000 0.000 0.198 302 E C 1.815 178.400 176.600 -0.025 0.000 1.007 302 E CA 2.037 58.425 56.400 -0.020 0.000 0.809 302 E CB -0.434 29.262 29.700 -0.007 0.000 0.749 302 E HN 0.165 nan 8.360 nan 0.000 0.450 303 V N -0.135 119.771 119.914 -0.014 0.000 2.219 303 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 303 V C 2.483 178.556 176.094 -0.035 0.000 1.053 303 V CA 1.915 64.210 62.300 -0.009 0.000 1.009 303 V CB -0.768 31.064 31.823 0.016 0.000 0.636 303 V HN 0.249 nan 8.190 nan 0.000 0.445 304 V N 0.170 120.040 119.914 -0.073 0.000 2.250 304 V HA -0.359 3.761 4.120 -0.000 0.000 0.250 304 V C 2.719 178.730 176.094 -0.138 0.000 1.060 304 V CA 2.378 64.584 62.300 -0.157 0.000 1.030 304 V CB -1.373 30.218 31.823 -0.387 0.000 0.643 304 V HN 0.613 nan 8.190 nan 0.000 0.445 305 A N -0.373 122.375 122.820 -0.120 0.000 1.884 305 A HA -0.331 3.989 4.320 -0.000 0.000 0.219 305 A C 2.377 179.926 177.584 -0.058 0.000 1.197 305 A CA 3.094 55.079 52.037 -0.086 0.000 0.637 305 A CB -1.305 17.658 19.000 -0.063 0.000 0.827 305 A HN 0.543 nan 8.150 nan 0.000 0.450 306 T N -0.340 114.188 114.554 -0.043 0.000 2.595 306 T HA -0.160 4.190 4.350 -0.000 0.000 0.264 306 T C 1.859 176.545 174.700 -0.024 0.000 1.058 306 T CA 1.842 63.926 62.100 -0.027 0.000 1.166 306 T CB -0.730 68.128 68.868 -0.017 0.000 0.863 306 T HN 0.154 nan 8.240 nan 0.000 0.415 307 V N 1.332 121.232 119.914 -0.024 0.000 2.453 307 V HA -0.190 3.930 4.120 -0.000 0.000 0.252 307 V C 2.693 178.775 176.094 -0.019 0.000 1.068 307 V CA 1.912 64.204 62.300 -0.014 0.000 1.070 307 V CB -0.822 30.997 31.823 -0.006 0.000 0.664 307 V HN 0.494 nan 8.190 nan 0.000 0.461 308 S N 0.746 116.423 115.700 -0.038 0.000 2.355 308 S HA -0.163 4.307 4.470 -0.000 0.000 0.222 308 S C 2.079 176.664 174.600 -0.025 0.000 1.031 308 S CA 1.731 59.908 58.200 -0.039 0.000 0.993 308 S CB -0.355 62.805 63.200 -0.066 0.000 0.859 308 S HN 0.818 nan 8.310 nan 0.000 0.453 309 S N 0.548 116.234 115.700 -0.024 0.000 2.653 309 S HA 0.155 4.625 4.470 -0.000 0.000 0.233 309 S C 1.328 175.922 174.600 -0.011 0.000 0.970 309 S CA -0.019 58.171 58.200 -0.017 0.000 0.947 309 S CB -0.221 62.969 63.200 -0.017 0.000 0.771 309 S HN 0.372 nan 8.310 nan 0.000 0.538 310 R N 0.084 120.579 120.500 -0.009 0.000 2.316 310 R HA 0.465 4.805 4.340 -0.000 0.000 0.201 310 R C 0.661 176.960 176.300 -0.001 0.000 0.888 310 R CA 0.093 56.191 56.100 -0.004 0.000 1.041 310 R CB -0.328 29.971 30.300 -0.001 0.000 1.115 310 R HN 0.424 nan 8.270 nan 0.000 0.559 311 L N 0.498 121.720 121.223 -0.002 0.000 2.569 311 L HA 0.332 4.672 4.340 -0.000 0.000 0.247 311 L C 0.380 177.249 176.870 -0.001 0.000 1.135 311 L CA -1.079 53.762 54.840 0.001 0.000 0.812 311 L CB 0.103 42.164 42.059 0.004 0.000 1.431 311 L HN -0.120 nan 8.230 nan 0.000 0.499 312 D N 1.162 121.562 120.400 0.000 0.000 2.493 312 D HA -0.010 4.630 4.640 -0.000 0.000 0.240 312 D C -1.495 174.804 176.300 -0.002 0.000 1.142 312 D CA -0.988 53.011 54.000 -0.001 0.000 0.872 312 D CB 0.795 41.595 40.800 -0.001 0.000 1.173 312 D HN 0.234 nan 8.370 nan 0.000 0.467 313 P HA -0.169 nan 4.420 nan 0.000 0.227 313 P C -0.276 177.022 177.300 -0.002 0.000 1.145 313 P CA 1.141 64.238 63.100 -0.004 0.000 0.769 313 P CB 0.108 31.805 31.700 -0.004 0.000 0.769 314 N N -0.828 117.871 118.700 -0.001 0.000 2.433 314 N HA 0.291 5.031 4.740 -0.000 0.000 0.270 314 N C -0.285 175.227 175.510 0.004 0.000 1.354 314 N CA -0.426 52.624 53.050 0.001 0.000 0.889 314 N CB 0.583 39.070 38.487 -0.000 0.000 1.285 314 N HN 0.033 nan 8.380 nan 0.000 0.503 315 A N 1.009 123.832 122.820 0.005 0.000 2.401 315 A HA 0.252 4.572 4.320 -0.000 0.000 0.259 315 A C 0.707 178.302 177.584 0.017 0.000 1.103 315 A CA -0.185 51.857 52.037 0.009 0.000 0.789 315 A CB 0.171 19.177 19.000 0.009 0.000 1.035 315 A HN 0.250 nan 8.150 nan 0.000 0.491 316 T N 1.089 115.653 114.554 0.017 0.000 2.737 316 T HA 0.548 4.898 4.350 -0.000 0.000 0.296 316 T C -0.247 174.480 174.700 0.045 0.000 0.922 316 T CA -0.086 62.029 62.100 0.027 0.000 1.079 316 T CB -0.597 68.277 68.868 0.010 0.000 0.892 316 T HN 0.350 nan 8.240 nan 0.000 0.514 317 I N 4.627 125.246 120.570 0.083 0.000 2.378 317 I HA 0.394 4.564 4.170 -0.000 0.000 0.291 317 I C -0.211 176.033 176.117 0.211 0.000 0.992 317 I CA -1.265 60.114 61.300 0.133 0.000 1.154 317 I CB 1.601 39.680 38.000 0.132 0.000 1.315 317 I HN 0.442 nan 8.210 nan 0.000 0.448 318 I N 7.442 128.100 120.570 0.146 0.000 2.321 318 I HA 0.304 4.474 4.170 -0.000 0.000 0.291 318 I C -0.752 175.434 176.117 0.115 0.000 0.998 318 I CA -0.642 60.686 61.300 0.046 0.000 1.227 318 I CB 0.854 38.847 38.000 -0.011 0.000 1.368 318 I HN 0.450 nan 8.210 nan 0.000 0.466 319 Y N 3.496 123.794 120.300 -0.003 0.000 2.457 319 Y HA 0.881 5.431 4.550 0.000 0.000 0.343 319 Y C -0.129 175.761 175.900 -0.017 0.000 0.994 319 Y CA -1.318 56.784 58.100 0.002 0.000 1.031 319 Y CB 1.332 39.800 38.460 0.013 0.000 1.246 319 Y HN 0.579 nan 8.280 nan 0.000 0.449 320 G N 0.573 109.380 108.800 0.012 0.000 2.630 320 G HA2 0.768 4.728 3.960 -0.000 0.000 0.296 320 G HA3 0.768 4.728 3.960 -0.000 0.000 0.296 320 G C -1.741 173.194 174.900 0.058 0.000 1.285 320 G CA -0.978 44.079 45.100 -0.073 0.000 0.958 320 G HN 1.266 nan 8.290 nan 0.000 0.479 321 A N 0.627 123.478 122.820 0.052 0.000 2.651 321 A HA 0.713 5.033 4.320 -0.000 0.000 0.290 321 A C 0.096 177.743 177.584 0.105 0.000 1.185 321 A CA -0.067 52.045 52.037 0.124 0.000 0.746 321 A CB 0.533 19.598 19.000 0.109 0.000 1.213 321 A HN 1.401 nan 8.150 nan 0.000 0.429 322 T N -0.581 114.080 114.554 0.179 0.000 2.948 322 T HA 0.809 5.159 4.350 -0.000 0.000 0.285 322 T C -0.077 174.683 174.700 0.100 0.000 1.019 322 T CA -0.721 61.463 62.100 0.139 0.000 1.013 322 T CB 0.997 69.988 68.868 0.204 0.000 1.117 322 T HN 0.380 nan 8.240 nan 0.000 0.533 323 I N 1.378 121.987 120.570 0.065 0.000 2.354 323 I HA 0.312 4.482 4.170 -0.000 0.000 0.292 323 I C -0.509 175.627 176.117 0.030 0.000 0.989 323 I CA -0.752 60.572 61.300 0.040 0.000 1.188 323 I CB 1.530 39.547 38.000 0.029 0.000 1.342 323 I HN 0.722 nan 8.210 nan 0.000 0.457 324 D N 4.853 125.262 120.400 0.015 0.000 2.313 324 D HA 0.064 4.704 4.640 -0.000 0.000 0.239 324 D C 1.019 177.320 176.300 0.002 0.000 1.142 324 D CA -0.097 53.905 54.000 0.003 0.000 0.847 324 D CB 1.195 41.987 40.800 -0.014 0.000 1.082 324 D HN 0.538 nan 8.370 nan 0.000 0.480 325 E N 3.608 123.810 120.200 0.003 0.000 2.164 325 E HA -0.325 4.025 4.350 -0.000 0.000 0.233 325 E C -0.260 176.340 176.600 -0.000 0.000 1.073 325 E CA 2.038 58.439 56.400 0.001 0.000 0.941 325 E CB -0.217 29.482 29.700 -0.001 0.000 0.820 325 E HN 0.654 nan 8.360 nan 0.000 0.486 326 N N 0.094 118.791 118.700 -0.004 0.000 2.801 326 N HA 0.385 5.125 4.740 -0.000 0.000 0.235 326 N C -1.371 174.135 175.510 -0.006 0.000 1.069 326 N CA -0.250 52.797 53.050 -0.004 0.000 0.946 326 N CB 1.246 39.730 38.487 -0.005 0.000 1.212 326 N HN 0.131 nan 8.380 nan 0.000 0.509 327 L N 1.402 122.623 121.223 -0.004 0.000 2.487 327 L HA 0.227 4.567 4.340 -0.000 0.000 0.261 327 L C 0.707 177.576 176.870 -0.001 0.000 1.223 327 L CA -0.171 54.666 54.840 -0.005 0.000 0.883 327 L CB 0.903 42.958 42.059 -0.007 0.000 1.065 327 L HN 0.316 nan 8.230 nan 0.000 0.488 328 E N 1.616 121.815 120.200 -0.001 0.000 2.017 328 E HA -0.219 4.131 4.350 -0.000 0.000 0.220 328 E C 0.225 176.826 176.600 0.002 0.000 1.032 328 E CA 2.230 58.630 56.400 0.001 0.000 0.888 328 E CB -0.016 29.684 29.700 0.000 0.000 0.801 328 E HN 0.775 nan 8.360 nan 0.000 0.503 329 N N -0.617 118.083 118.700 0.001 0.000 2.672 329 N HA 0.207 4.947 4.740 -0.000 0.000 0.295 329 N C -1.400 174.110 175.510 0.001 0.000 1.924 329 N CA -0.196 52.856 53.050 0.002 0.000 0.851 329 N CB 1.130 39.619 38.487 0.003 0.000 1.281 329 N HN -0.177 nan 8.380 nan 0.000 0.494 330 T N -0.030 114.524 114.554 -0.000 0.000 2.921 330 T HA 0.497 4.847 4.350 -0.000 0.000 0.297 330 T C -0.585 174.113 174.700 -0.003 0.000 1.013 330 T CA -0.781 61.318 62.100 -0.002 0.000 0.990 330 T CB 1.933 70.799 68.868 -0.005 0.000 1.023 330 T HN 0.197 nan 8.240 nan 0.000 0.447 331 V N 1.737 121.650 119.914 -0.002 0.000 2.370 331 V HA 0.725 4.845 4.120 -0.000 0.000 0.283 331 V C 0.017 176.106 176.094 -0.009 0.000 1.023 331 V CA -1.073 61.226 62.300 -0.002 0.000 0.857 331 V CB 1.163 32.990 31.823 0.006 0.000 0.985 331 V HN 0.856 nan 8.190 nan 0.000 0.443 332 R N 3.377 123.864 120.500 -0.021 0.000 2.540 332 R HA 0.852 5.192 4.340 -0.000 0.000 0.287 332 R C -1.625 174.655 176.300 -0.034 0.000 0.980 332 R CA -0.562 55.519 56.100 -0.032 0.000 0.966 332 R CB 2.082 32.349 30.300 -0.054 0.000 1.106 332 R HN 0.674 nan 8.270 nan 0.000 0.480 333 V N 5.140 125.039 119.914 -0.025 0.000 2.577 333 V HA 0.324 4.444 4.120 -0.000 0.000 0.303 333 V C -1.174 174.916 176.094 -0.008 0.000 1.042 333 V CA -0.913 61.383 62.300 -0.008 0.000 0.872 333 V CB 1.650 33.480 31.823 0.012 0.000 0.998 333 V HN 0.618 nan 8.190 nan 0.000 0.423 334 L N 6.406 127.630 121.223 0.002 0.000 2.307 334 L HA 0.770 5.110 4.340 -0.000 0.000 0.284 334 L C -1.238 175.664 176.870 0.054 0.000 1.023 334 L CA -0.218 54.632 54.840 0.017 0.000 0.810 334 L CB 1.373 43.435 42.059 0.006 0.000 1.231 334 L HN 0.507 nan 8.230 nan 0.000 0.423 335 L N 5.745 126.994 121.223 0.043 0.000 2.362 335 L HA 0.613 4.953 4.340 -0.000 0.000 0.275 335 L C -0.757 176.142 176.870 0.049 0.000 0.998 335 L CA -0.263 54.607 54.840 0.049 0.000 0.820 335 L CB 2.185 44.265 42.059 0.035 0.000 1.270 335 L HN 0.399 nan 8.230 nan 0.000 0.415 336 V N 5.332 125.281 119.914 0.058 0.000 2.380 336 V HA 0.347 4.467 4.120 -0.000 0.000 0.268 336 V C -0.189 175.933 176.094 0.048 0.000 1.008 336 V CA -0.528 61.806 62.300 0.056 0.000 0.823 336 V CB 1.048 32.914 31.823 0.073 0.000 1.053 336 V HN 0.447 nan 8.190 nan 0.000 0.446 337 I N 4.621 125.214 120.570 0.038 0.000 2.452 337 I HA 0.336 4.506 4.170 -0.000 0.000 0.287 337 I C 1.147 177.281 176.117 0.028 0.000 1.079 337 I CA 0.885 62.204 61.300 0.031 0.000 1.387 337 I CB 1.462 39.478 38.000 0.025 0.000 1.404 337 I HN 0.749 nan 8.210 nan 0.000 0.522 338 T N 1.975 116.543 114.554 0.024 0.000 2.936 338 T HA 0.677 5.027 4.350 -0.000 0.000 0.282 338 T C 0.676 175.382 174.700 0.010 0.000 1.003 338 T CA -0.315 61.796 62.100 0.017 0.000 1.005 338 T CB 1.456 70.330 68.868 0.011 0.000 1.097 338 T HN 1.124 nan 8.240 nan 0.000 0.532 339 G N -0.112 108.691 108.800 0.005 0.000 2.324 339 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.292 339 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.292 339 G C 0.329 175.229 174.900 -0.000 0.000 1.079 339 G CA 0.355 45.453 45.100 -0.002 0.000 1.026 339 G HN 1.945 nan 8.290 nan 0.000 0.506 340 V N -2.377 117.540 119.914 0.005 0.000 3.432 340 V HA 0.263 4.383 4.120 -0.000 0.000 0.298 340 V C 1.997 178.094 176.094 0.004 0.000 1.464 340 V CA 1.085 63.390 62.300 0.008 0.000 1.046 340 V CB 0.700 32.535 31.823 0.020 0.000 0.887 340 V HN 0.594 nan 8.190 nan 0.000 0.441 341 Q N 2.769 122.563 119.800 -0.009 0.000 2.297 341 Q HA -0.194 4.146 4.340 -0.000 0.000 0.208 341 Q C 1.934 177.901 176.000 -0.055 0.000 0.981 341 Q CA 2.287 58.066 55.803 -0.040 0.000 0.876 341 Q CB -0.978 27.716 28.738 -0.074 0.000 0.921 341 Q HN 0.864 nan 8.270 nan 0.000 0.446 342 S N 0.020 115.698 115.700 -0.037 0.000 2.515 342 S HA 0.060 4.530 4.470 -0.000 0.000 0.231 342 S C 1.431 176.018 174.600 -0.022 0.000 0.987 342 S CA 0.053 58.232 58.200 -0.035 0.000 0.936 342 S CB 0.166 63.350 63.200 -0.026 0.000 0.766 342 S HN 0.245 nan 8.310 nan 0.000 0.528 343 R N -0.098 120.397 120.500 -0.009 0.000 2.543 343 R HA 0.502 4.842 4.340 -0.000 0.000 0.323 343 R C -1.013 175.298 176.300 0.018 0.000 1.002 343 R CA -0.202 55.900 56.100 0.003 0.000 1.106 343 R CB -0.129 30.176 30.300 0.008 0.000 1.280 343 R HN 0.371 nan 8.270 nan 0.000 0.549 344 I N 0.348 120.930 120.570 0.021 0.000 2.608 344 I HA 0.267 4.437 4.170 -0.000 0.000 0.295 344 I C -0.419 175.728 176.117 0.051 0.000 1.049 344 I CA -1.308 60.030 61.300 0.064 0.000 1.063 344 I CB 2.522 40.596 38.000 0.124 0.000 1.248 344 I HN -0.070 nan 8.210 nan 0.000 0.424 345 E N 5.126 125.390 120.200 0.106 0.000 2.199 345 E HA 0.431 4.781 4.350 -0.000 0.000 0.265 345 E C -1.426 175.344 176.600 0.284 0.000 0.882 345 E CA -0.589 55.872 56.400 0.102 0.000 0.759 345 E CB 0.968 30.703 29.700 0.059 0.000 1.148 345 E HN 0.204 nan 8.360 nan 0.000 0.412 346 F N 2.149 122.095 119.950 -0.006 0.000 2.429 346 F HA 0.315 4.842 4.527 -0.000 0.000 0.348 346 F C 0.605 176.403 175.800 -0.003 0.000 1.109 346 F CA -0.251 57.745 58.000 -0.006 0.000 1.232 346 F CB 1.558 40.553 39.000 -0.009 0.000 1.157 346 F HN 0.304 nan 8.300 nan 0.000 0.564 347 T N 2.616 117.255 114.554 0.142 0.000 2.916 347 T HA 0.148 4.498 4.350 -0.000 0.000 0.305 347 T C 0.427 175.144 174.700 0.028 0.000 1.119 347 T CA -0.608 61.536 62.100 0.074 0.000 1.008 347 T CB 1.964 70.864 68.868 0.053 0.000 1.129 347 T HN 0.343 nan 8.240 nan 0.000 0.480 348 D N 1.567 121.984 120.400 0.028 0.000 2.311 348 D HA -0.077 4.563 4.640 -0.000 0.000 0.212 348 D C 1.942 178.243 176.300 0.001 0.000 0.972 348 D CA 1.462 55.469 54.000 0.012 0.000 0.887 348 D CB 0.106 40.916 40.800 0.017 0.000 0.915 348 D HN 0.716 nan 8.370 nan 0.000 0.497 349 T N -3.349 111.208 114.554 0.005 0.000 3.092 349 T HA 0.520 4.870 4.350 -0.000 0.000 0.258 349 T C 0.869 175.565 174.700 -0.007 0.000 1.031 349 T CA 0.138 62.240 62.100 0.003 0.000 0.925 349 T CB 1.040 69.915 68.868 0.013 0.000 1.036 349 T HN 0.212 nan 8.240 nan 0.000 0.544 350 G N 1.312 110.096 108.800 -0.026 0.000 2.298 350 G HA2 0.144 4.104 3.960 -0.000 0.000 0.309 350 G HA3 0.144 4.104 3.960 -0.000 0.000 0.309 350 G C -1.617 173.262 174.900 -0.035 0.000 1.279 350 G CA -1.005 44.066 45.100 -0.050 0.000 1.042 350 G HN 0.443 nan 8.290 nan 0.000 0.480 351 L N 0.674 121.879 121.223 -0.030 0.000 2.290 351 L HA 0.543 4.883 4.340 -0.000 0.000 0.284 351 L C 0.686 177.585 176.870 0.048 0.000 1.078 351 L CA -0.426 54.430 54.840 0.027 0.000 0.815 351 L CB 1.191 43.263 42.059 0.022 0.000 1.162 351 L HN 0.395 nan 8.230 nan 0.000 0.435 352 K N 3.091 123.536 120.400 0.074 0.000 2.156 352 K HA 0.456 4.776 4.320 -0.000 0.000 0.254 352 K C -0.516 176.117 176.600 0.056 0.000 0.950 352 K CA -0.904 55.416 56.287 0.055 0.000 0.849 352 K CB 1.738 34.269 32.500 0.051 0.000 1.100 352 K HN 0.485 nan 8.250 nan 0.000 0.434 353 R N 2.987 123.511 120.500 0.040 0.000 2.272 353 R HA 0.072 4.412 4.340 -0.000 0.000 0.334 353 R C 0.375 176.690 176.300 0.026 0.000 1.117 353 R CA -0.105 56.015 56.100 0.034 0.000 0.966 353 R CB 0.680 30.996 30.300 0.027 0.000 1.049 353 R HN 0.465 nan 8.270 nan 0.000 0.477 354 K N 2.586 123.001 120.400 0.025 0.000 2.400 354 K HA 0.105 4.425 4.320 -0.000 0.000 0.253 354 K C -0.179 176.426 176.600 0.008 0.000 1.076 354 K CA 0.329 56.624 56.287 0.013 0.000 0.887 354 K CB 0.568 33.071 32.500 0.004 0.000 1.168 354 K HN 0.315 nan 8.250 nan 0.000 0.505 355 K N 0.000 120.401 120.400 0.002 0.000 2.780 355 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 355 K CA 0.000 56.288 56.287 0.001 0.000 0.838 355 K CB 0.000 32.502 32.500 0.003 0.000 1.064 355 K HN 0.000 nan 8.250 nan 0.000 0.543