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 6req_1_B DATA FIRST_RESID 20 DATA SEQUENCE TLSLAGDFPK ATEEQWEREV EKVLNRGRPP EKQLTFAECL KRLTVHTVDG DATA SEQUENCE IDIVPMYRPK DAPKKLGYPG VAPFTRGTTV RNGDMDAWDV RALHEDPDEK DATA SEQUENCE FTRKAILEGL ERGVTSLLLR VDPDAIAPEH LDEVLSDVLL EMTKVEVFSR DATA SEQUENCE YDQGAAAEAL VSVYERSDKP AKDLALNLGL DPIGFAALQG TEPDLTVLGD DATA SEQUENCE WVRRLAKFSP DSRAVTIDAN IYHNAGAGDV AELAWALATG AEYVRALVEQ DATA SEQUENCE GFTATEAFDT INFRVTATHD QFLTIARLRA LREAWARIGE VFGVDEDKRG DATA SEQUENCE ARQNAITSWR ELTREDPYVN ILRGSIATFS ASVGGAESIT TLPFTQALGL DATA SEQUENCE PEDDFPLRIA RNTGIVLAEE VNIGRVNDPA GGSYYVESLT RSLADAAWKE DATA SEQUENCE FQEVEKLGGM SKAVMTEHVT KVLDACNAER AKRLANRKQP ITAVSEFPMI DATA SEQUENCE GARSIETKPF PAAPARKGLA WHRDSEVFEQ LMDRSTSVSE RPKVFLACLG DATA SEQUENCE TRRDFGGREG FSSPVWHIAG IDTPQVEGGT TAEIVEAFKK SGAQVADLCS DATA SEQUENCE SAKVYAQQGL EVAKALKAAG AKALYLSGAF KEFGDDAAEA EKLIDGRLFM DATA SEQUENCE GMDVVDTLSS TLDILGVAK 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 20 T HA 0.000 nan 4.350 nan 0.000 0.228 20 T C 0.000 174.703 174.700 0.005 0.000 1.109 20 T CA 0.000 62.103 62.100 0.004 0.000 1.349 20 T CB 0.000 68.869 68.868 0.002 0.000 0.612 21 L N 4.087 125.314 121.223 0.008 0.000 2.477 21 L HA 0.649 4.990 4.340 0.001 0.000 0.272 21 L C 0.270 177.148 176.870 0.013 0.000 1.157 21 L CA 0.299 55.145 54.840 0.009 0.000 0.889 21 L CB 0.874 42.940 42.059 0.013 0.000 1.158 21 L HN 0.422 nan 8.230 nan 0.000 0.473 22 S N 5.136 120.841 115.700 0.007 0.000 2.475 22 S HA 0.505 4.975 4.470 0.001 0.000 0.281 22 S C 0.576 175.191 174.600 0.025 0.000 1.198 22 S CA -0.616 57.590 58.200 0.009 0.000 1.063 22 S CB 0.457 63.651 63.200 -0.010 0.000 0.972 22 S HN 0.756 nan 8.310 nan 0.000 0.486 23 L N 4.364 125.620 121.223 0.055 0.000 3.031 23 L HA 0.404 4.745 4.340 0.001 0.000 0.167 23 L C 2.530 179.514 176.870 0.189 0.000 1.203 23 L CA 0.469 55.373 54.840 0.107 0.000 0.857 23 L CB -1.019 41.091 42.059 0.086 0.000 1.368 23 L HN 0.703 nan 8.230 nan 0.000 0.534 24 A N 0.323 123.239 122.820 0.160 0.000 2.014 24 A HA -0.013 4.307 4.320 0.001 0.000 0.218 24 A C 2.094 179.789 177.584 0.186 0.000 1.163 24 A CA 1.405 53.566 52.037 0.207 0.000 0.652 24 A CB -1.105 17.962 19.000 0.111 0.000 0.808 24 A HN 0.493 nan 8.150 nan 0.000 0.449 25 G N -0.455 108.399 108.800 0.090 0.000 2.535 25 G HA2 -0.157 3.804 3.960 0.001 0.000 0.218 25 G HA3 -0.157 3.804 3.960 0.001 0.000 0.218 25 G C 0.844 175.729 174.900 -0.025 0.000 1.122 25 G CA 1.058 46.180 45.100 0.036 0.000 0.769 25 G HN 0.448 nan 8.290 nan 0.000 0.549 26 D N -0.432 119.902 120.400 -0.110 0.000 2.317 26 D HA 0.111 4.751 4.640 0.001 0.000 0.211 26 D C 0.224 176.155 176.300 -0.614 0.000 0.966 26 D CA 0.290 54.070 54.000 -0.367 0.000 0.876 26 D CB 0.077 40.543 40.800 -0.556 0.000 0.927 26 D HN 0.320 nan 8.370 nan 0.000 0.519 27 F N 0.224 120.175 119.950 0.003 0.000 2.507 27 F HA 0.412 4.940 4.527 0.001 0.000 0.327 27 F C -1.730 174.071 175.800 0.002 0.000 1.068 27 F CA -2.676 55.326 58.000 0.003 0.000 0.965 27 F CB 0.582 39.585 39.000 0.005 0.000 1.192 27 F HN -0.317 nan 8.300 nan 0.000 0.476 28 P HA 0.143 nan 4.420 nan 0.000 0.267 28 P C -0.624 176.738 177.300 0.102 0.000 1.200 28 P CA -0.443 62.722 63.100 0.110 0.000 0.772 28 P CB 0.117 31.870 31.700 0.089 0.000 0.855 29 K N 1.361 121.797 120.400 0.060 0.000 2.382 29 K HA 0.449 4.769 4.320 0.001 0.000 0.286 29 K C 0.630 177.250 176.600 0.033 0.000 1.062 29 K CA 0.072 56.385 56.287 0.043 0.000 1.000 29 K CB -0.846 31.668 32.500 0.023 0.000 0.954 29 K HN 0.708 nan 8.250 nan 0.000 0.470 30 A N 3.018 125.855 122.820 0.029 0.000 2.477 30 A HA 0.540 4.861 4.320 0.001 0.000 0.246 30 A C 0.861 178.447 177.584 0.002 0.000 1.078 30 A CA 0.497 52.544 52.037 0.016 0.000 0.770 30 A CB -0.141 18.862 19.000 0.005 0.000 1.011 30 A HN 1.254 nan 8.150 nan 0.000 0.494 31 T N -0.796 113.762 114.554 0.007 0.000 2.932 31 T HA 0.474 4.825 4.350 0.001 0.000 0.289 31 T C 0.859 175.565 174.700 0.010 0.000 1.039 31 T CA 0.011 62.109 62.100 -0.004 0.000 1.024 31 T CB 1.417 70.282 68.868 -0.005 0.000 1.090 31 T HN 0.761 nan 8.240 nan 0.000 0.496 32 E N 1.046 121.240 120.200 -0.009 0.000 2.110 32 E HA -0.247 4.104 4.350 0.001 0.000 0.193 32 E C 1.283 177.891 176.600 0.013 0.000 0.988 32 E CA 1.433 57.841 56.400 0.014 0.000 0.804 32 E CB -0.345 29.331 29.700 -0.040 0.000 0.745 32 E HN 0.782 nan 8.360 nan 0.000 0.458 33 E N 1.284 121.460 120.200 -0.040 0.000 2.077 33 E HA -0.199 4.151 4.350 0.001 0.000 0.193 33 E C 2.174 178.743 176.600 -0.053 0.000 0.989 33 E CA 1.667 58.023 56.400 -0.073 0.000 0.800 33 E CB -0.160 29.511 29.700 -0.048 0.000 0.746 33 E HN 0.373 nan 8.360 nan 0.000 0.452 34 Q N -0.669 119.128 119.800 -0.005 0.000 2.050 34 Q HA -0.179 4.162 4.340 0.001 0.000 0.202 34 Q C 1.878 177.897 176.000 0.031 0.000 0.980 34 Q CA 1.610 57.418 55.803 0.008 0.000 0.840 34 Q CB -0.357 28.398 28.738 0.028 0.000 0.898 34 Q HN 0.419 nan 8.270 nan 0.000 0.424 35 W N 1.873 123.103 121.300 -0.117 0.000 2.335 35 W HA -0.198 4.462 4.660 0.001 0.000 0.311 35 W C 1.594 178.027 176.519 -0.143 0.000 1.213 35 W CA 1.741 59.016 57.345 -0.116 0.000 1.274 35 W CB -0.110 29.277 29.460 -0.122 0.000 1.148 35 W HN 0.115 nan 8.180 nan 0.000 0.498 36 E N -0.219 119.765 120.200 -0.359 0.000 2.070 36 E HA -0.303 4.048 4.350 0.001 0.000 0.197 36 E C 2.176 178.584 176.600 -0.321 0.000 1.004 36 E CA 1.925 57.918 56.400 -0.679 0.000 0.805 36 E CB -0.356 28.892 29.700 -0.753 0.000 0.744 36 E HN 0.334 nan 8.360 nan 0.000 0.451 37 R N 0.456 120.840 120.500 -0.192 0.000 2.081 37 R HA -0.116 4.225 4.340 0.001 0.000 0.235 37 R C 2.282 178.503 176.300 -0.132 0.000 1.131 37 R CA 1.058 57.091 56.100 -0.113 0.000 0.960 37 R CB -0.005 30.253 30.300 -0.070 0.000 0.856 37 R HN 0.121 nan 8.270 nan 0.000 0.436 38 E N 0.270 120.367 120.200 -0.172 0.000 2.077 38 E HA -0.145 4.206 4.350 0.001 0.000 0.193 38 E C 2.151 178.615 176.600 -0.227 0.000 0.989 38 E CA 1.069 57.370 56.400 -0.165 0.000 0.800 38 E CB -0.254 29.374 29.700 -0.121 0.000 0.746 38 E HN 0.144 nan 8.360 nan 0.000 0.452 39 V N 1.780 121.463 119.914 -0.385 0.000 2.287 39 V HA -0.271 3.850 4.120 0.001 0.000 0.248 39 V C 2.219 178.221 176.094 -0.154 0.000 1.053 39 V CA 2.046 64.154 62.300 -0.319 0.000 1.027 39 V CB -0.566 30.997 31.823 -0.433 0.000 0.646 39 V HN 0.256 nan 8.190 nan 0.000 0.447 40 E N 0.096 120.239 120.200 -0.096 0.000 2.058 40 E HA -0.275 4.076 4.350 0.001 0.000 0.194 40 E C 2.289 178.852 176.600 -0.062 0.000 0.997 40 E CA 1.563 57.930 56.400 -0.056 0.000 0.801 40 E CB -0.236 29.450 29.700 -0.023 0.000 0.746 40 E HN 0.585 nan 8.360 nan 0.000 0.450 41 K N 0.436 120.797 120.400 -0.066 0.000 2.032 41 K HA -0.159 4.162 4.320 0.001 0.000 0.209 41 K C 2.228 178.796 176.600 -0.053 0.000 1.048 41 K CA 1.465 57.720 56.287 -0.053 0.000 0.927 41 K CB -0.217 32.253 32.500 -0.051 0.000 0.712 41 K HN -0.014 nan 8.250 nan 0.000 0.441 42 V N 1.261 121.136 119.914 -0.064 0.000 2.261 42 V HA -0.221 3.900 4.120 0.001 0.000 0.246 42 V C 2.057 178.119 176.094 -0.053 0.000 1.047 42 V CA 1.566 63.833 62.300 -0.056 0.000 1.015 42 V CB -0.370 31.416 31.823 -0.061 0.000 0.642 42 V HN 0.189 nan 8.190 nan 0.000 0.446 43 L N 0.388 121.572 121.223 -0.065 0.000 2.376 43 L HA 0.013 4.354 4.340 0.001 0.000 0.219 43 L C 1.994 178.834 176.870 -0.050 0.000 1.133 43 L CA 1.316 56.120 54.840 -0.060 0.000 0.816 43 L CB -0.916 41.098 42.059 -0.076 0.000 0.933 43 L HN 0.319 nan 8.230 nan 0.000 0.449 44 N N -0.068 118.604 118.700 -0.046 0.000 2.446 44 N HA 0.005 4.746 4.740 0.001 0.000 0.179 44 N C 0.382 175.873 175.510 -0.031 0.000 1.054 44 N CA 0.165 53.193 53.050 -0.037 0.000 0.905 44 N CB 0.053 38.519 38.487 -0.034 0.000 0.973 44 N HN 0.264 nan 8.380 nan 0.000 0.448 45 R N 0.492 120.973 120.500 -0.032 0.000 2.485 45 R HA 0.057 4.398 4.340 0.001 0.000 0.304 45 R C 1.159 177.444 176.300 -0.024 0.000 0.934 45 R CA 0.911 56.995 56.100 -0.027 0.000 1.102 45 R CB -0.261 30.023 30.300 -0.026 0.000 0.906 45 R HN 0.255 nan 8.270 nan 0.000 0.407 46 G N 2.721 111.508 108.800 -0.021 0.000 2.159 46 G HA2 -0.333 3.628 3.960 0.001 0.000 0.256 46 G HA3 -0.333 3.628 3.960 0.001 0.000 0.256 46 G C 0.022 174.911 174.900 -0.019 0.000 0.977 46 G CA -0.119 44.969 45.100 -0.019 0.000 0.652 46 G HN 0.554 nan 8.290 nan 0.000 0.531 47 R N 0.894 121.382 120.500 -0.020 0.000 2.393 47 R HA 0.476 4.816 4.340 0.001 0.000 0.310 47 R C -2.300 173.990 176.300 -0.017 0.000 0.968 47 R CA -1.892 54.196 56.100 -0.020 0.000 0.867 47 R CB 1.266 31.552 30.300 -0.023 0.000 1.124 47 R HN 0.070 nan 8.270 nan 0.000 0.450 48 P HA -0.035 nan 4.420 nan 0.000 0.267 48 P C -1.975 175.317 177.300 -0.013 0.000 1.201 48 P CA -1.016 62.076 63.100 -0.013 0.000 0.775 48 P CB 0.168 31.861 31.700 -0.011 0.000 0.854 49 P HA -0.177 nan 4.420 nan 0.000 0.217 49 P C 0.618 177.912 177.300 -0.011 0.000 1.148 49 P CA 1.693 64.787 63.100 -0.011 0.000 0.834 49 P CB 0.015 31.709 31.700 -0.009 0.000 0.783 50 E N -1.084 119.110 120.200 -0.010 0.000 2.423 50 E HA 0.133 4.484 4.350 0.001 0.000 0.198 50 E C 0.480 177.073 176.600 -0.012 0.000 1.038 50 E CA 0.078 56.472 56.400 -0.010 0.000 1.011 50 E CB 0.236 29.931 29.700 -0.009 0.000 1.118 50 E HN 0.317 nan 8.360 nan 0.000 0.451 51 K N 0.687 121.078 120.400 -0.014 0.000 2.734 51 K HA 0.121 4.441 4.320 0.001 0.000 0.200 51 K C -0.151 176.437 176.600 -0.020 0.000 1.120 51 K CA -0.173 56.104 56.287 -0.017 0.000 1.067 51 K CB 0.845 33.335 32.500 -0.017 0.000 0.771 51 K HN -0.115 nan 8.250 nan 0.000 0.481 52 Q N 1.480 121.268 119.800 -0.019 0.000 2.289 52 Q HA 0.147 4.488 4.340 0.001 0.000 0.273 52 Q C -0.010 175.975 176.000 -0.024 0.000 1.029 52 Q CA 0.402 56.192 55.803 -0.021 0.000 0.896 52 Q CB 0.690 29.418 28.738 -0.017 0.000 1.182 52 Q HN 0.311 nan 8.270 nan 0.000 0.385 53 L N 1.976 123.180 121.223 -0.032 0.000 2.418 53 L HA 0.344 4.685 4.340 0.001 0.000 0.265 53 L C 1.048 177.898 176.870 -0.033 0.000 1.143 53 L CA -0.549 54.266 54.840 -0.041 0.000 0.809 53 L CB 0.718 42.742 42.059 -0.059 0.000 1.124 53 L HN 0.625 nan 8.230 nan 0.000 0.456 54 T N -2.343 112.191 114.554 -0.032 0.000 2.912 54 T HA 0.215 4.565 4.350 0.001 0.000 0.280 54 T C 0.849 175.547 174.700 -0.003 0.000 0.989 54 T CA -0.567 61.532 62.100 -0.002 0.000 0.995 54 T CB 1.080 69.953 68.868 0.008 0.000 1.077 54 T HN 0.437 nan 8.240 nan 0.000 0.531 55 F N 1.759 121.667 119.950 -0.071 0.000 2.043 55 F HA -0.115 4.413 4.527 0.001 0.000 0.297 55 F C 2.661 178.421 175.800 -0.066 0.000 1.118 55 F CA 2.319 60.263 58.000 -0.093 0.000 1.202 55 F CB -1.177 37.770 39.000 -0.088 0.000 0.965 55 F HN 0.769 nan 8.300 nan 0.000 0.482 56 A N -0.017 122.706 122.820 -0.161 0.000 1.915 56 A HA -0.319 4.002 4.320 0.001 0.000 0.220 56 A C 2.137 179.580 177.584 -0.235 0.000 1.198 56 A CA 2.356 54.285 52.037 -0.181 0.000 0.647 56 A CB -1.157 17.832 19.000 -0.019 0.000 0.825 56 A HN 0.649 nan 8.150 nan 0.000 0.456 57 E N -1.157 118.940 120.200 -0.172 0.000 2.072 57 E HA -0.161 4.190 4.350 0.001 0.000 0.191 57 E C 2.128 178.606 176.600 -0.204 0.000 0.985 57 E CA 1.157 57.470 56.400 -0.144 0.000 0.801 57 E CB -0.371 29.272 29.700 -0.094 0.000 0.750 57 E HN 0.715 nan 8.360 nan 0.000 0.452 58 C N 0.738 119.865 119.300 -0.290 0.000 2.432 58 C HA -0.128 4.333 4.460 0.001 0.000 0.277 58 C C 2.636 177.388 174.990 -0.396 0.000 1.249 58 C CA 0.333 59.161 59.018 -0.316 0.000 1.725 58 C CB -0.876 26.668 27.740 -0.328 0.000 2.028 58 C HN 0.437 nan 8.230 nan 0.000 0.477 59 L N 1.549 122.369 121.223 -0.671 0.000 2.013 59 L HA -0.171 4.170 4.340 0.001 0.000 0.212 59 L C 2.412 179.131 176.870 -0.251 0.000 1.073 59 L CA 1.976 56.487 54.840 -0.548 0.000 0.753 59 L CB -0.759 40.912 42.059 -0.647 0.000 0.890 59 L HN 0.263 nan 8.230 nan 0.000 0.432 60 K N -0.768 119.517 120.400 -0.191 0.000 2.097 60 K HA -0.152 4.169 4.320 0.001 0.000 0.206 60 K C 2.178 178.743 176.600 -0.059 0.000 1.049 60 K CA 1.626 57.867 56.287 -0.076 0.000 0.933 60 K CB -0.089 32.382 32.500 -0.048 0.000 0.717 60 K HN 0.339 nan 8.250 nan 0.000 0.442 61 R N 0.419 120.865 120.500 -0.089 0.000 2.189 61 R HA -0.024 4.317 4.340 0.001 0.000 0.223 61 R C 1.744 178.004 176.300 -0.068 0.000 1.092 61 R CA 0.761 56.824 56.100 -0.062 0.000 0.989 61 R CB -0.029 30.229 30.300 -0.069 0.000 0.876 61 R HN 0.137 nan 8.270 nan 0.000 0.457 62 L N 0.251 121.418 121.223 -0.095 0.000 2.592 62 L HA 0.102 4.443 4.340 0.001 0.000 0.227 62 L C 0.029 176.846 176.870 -0.090 0.000 1.127 62 L CA 0.041 54.834 54.840 -0.079 0.000 0.884 62 L CB 0.263 42.278 42.059 -0.074 0.000 1.065 62 L HN -0.002 nan 8.230 nan 0.000 0.457 63 T N 0.516 114.998 114.554 -0.119 0.000 2.771 63 T HA 0.364 4.715 4.350 0.001 0.000 0.291 63 T C 0.049 174.539 174.700 -0.350 0.000 0.954 63 T CA -0.154 61.824 62.100 -0.203 0.000 1.045 63 T CB 2.312 71.081 68.868 -0.165 0.000 0.917 63 T HN -0.235 nan 8.240 nan 0.000 0.484 64 V N 4.760 124.472 119.914 -0.337 0.000 2.532 64 V HA 0.342 4.463 4.120 0.001 0.000 0.295 64 V C -0.240 175.572 176.094 -0.469 0.000 1.041 64 V CA -0.840 61.289 62.300 -0.284 0.000 0.926 64 V CB 1.253 33.022 31.823 -0.089 0.000 0.992 64 V HN 0.830 nan 8.190 nan 0.000 0.457 65 H N 2.250 121.348 119.070 0.046 0.000 2.587 65 H HA 0.363 4.920 4.556 0.001 0.000 0.325 65 H C 0.283 175.642 175.328 0.052 0.000 1.012 65 H CA -0.443 55.634 56.048 0.047 0.000 1.213 65 H CB 1.731 31.514 29.762 0.034 0.000 1.431 65 H HN 0.784 nan 8.280 nan 0.000 0.492 66 T N -1.242 113.397 114.554 0.142 0.000 2.726 66 T HA 0.091 4.441 4.350 0.001 0.000 0.294 66 T C 1.778 176.537 174.700 0.099 0.000 1.013 66 T CA -0.638 61.526 62.100 0.108 0.000 0.996 66 T CB 0.748 69.670 68.868 0.090 0.000 1.016 66 T HN 0.218 nan 8.240 nan 0.000 0.529 67 V N 1.917 121.876 119.914 0.075 0.000 2.282 67 V HA -0.172 3.949 4.120 0.001 0.000 0.249 67 V C 2.045 178.164 176.094 0.041 0.000 1.057 67 V CA 2.450 64.782 62.300 0.054 0.000 1.032 67 V CB -1.042 30.806 31.823 0.041 0.000 0.645 67 V HN 1.072 nan 8.190 nan 0.000 0.447 68 D N -0.202 120.216 120.400 0.031 0.000 2.413 68 D HA 0.267 4.907 4.640 0.001 0.000 0.237 68 D C 1.314 177.634 176.300 0.034 0.000 1.171 68 D CA 0.590 54.600 54.000 0.016 0.000 0.839 68 D CB -0.396 40.394 40.800 -0.015 0.000 0.950 68 D HN 0.473 nan 8.370 nan 0.000 0.499 69 G N 0.169 109.005 108.800 0.059 0.000 2.153 69 G HA2 -0.251 3.709 3.960 0.001 0.000 0.252 69 G HA3 -0.251 3.709 3.960 0.001 0.000 0.252 69 G C -0.002 174.961 174.900 0.105 0.000 0.994 69 G CA -0.053 45.094 45.100 0.077 0.000 0.698 69 G HN 0.398 nan 8.290 nan 0.000 0.521 70 I N 1.170 121.804 120.570 0.107 0.000 2.395 70 I HA 0.300 4.471 4.170 0.001 0.000 0.289 70 I C -0.310 175.893 176.117 0.144 0.000 1.023 70 I CA -0.702 60.666 61.300 0.113 0.000 1.350 70 I CB 1.101 39.156 38.000 0.092 0.000 1.409 70 I HN -0.033 nan 8.210 nan 0.000 0.507 71 D N 7.327 127.819 120.400 0.153 0.000 2.232 71 D HA 0.480 5.121 4.640 0.001 0.000 0.242 71 D C -0.056 176.306 176.300 0.102 0.000 1.093 71 D CA -0.024 54.050 54.000 0.124 0.000 0.845 71 D CB 1.787 42.687 40.800 0.167 0.000 1.124 71 D HN 0.262 nan 8.370 nan 0.000 0.467 72 I N 2.415 123.007 120.570 0.038 0.000 2.382 72 I HA 0.205 4.376 4.170 0.001 0.000 0.286 72 I C 0.395 176.523 176.117 0.018 0.000 1.002 72 I CA -1.118 60.262 61.300 0.133 0.000 1.135 72 I CB 1.609 39.703 38.000 0.157 0.000 1.288 72 I HN 0.108 nan 8.210 nan 0.000 0.448 73 V N 4.478 124.390 119.914 -0.004 0.000 2.997 73 V HA 0.478 4.599 4.120 0.001 0.000 0.311 73 V C -1.740 174.251 176.094 -0.172 0.000 1.066 73 V CA -1.108 61.104 62.300 -0.148 0.000 1.039 73 V CB 0.568 32.253 31.823 -0.230 0.000 1.081 73 V HN 0.577 nan 8.190 nan 0.000 0.467 74 P HA 0.079 nan 4.420 nan 0.000 0.225 74 P C 0.159 177.408 177.300 -0.086 0.000 1.156 74 P CA 1.110 64.179 63.100 -0.052 0.000 0.787 74 P CB 0.350 32.100 31.700 0.083 0.000 0.802 75 M N -0.908 118.573 119.600 -0.198 0.000 2.378 75 M HA 0.363 4.844 4.480 0.001 0.000 0.289 75 M C -1.701 174.327 176.300 -0.452 0.000 1.136 75 M CA -0.868 54.278 55.300 -0.257 0.000 0.917 75 M CB 2.264 34.641 32.600 -0.372 0.000 1.669 75 M HN -0.296 nan 8.290 nan 0.000 0.461 76 Y N 1.955 122.197 120.300 -0.096 0.000 2.487 76 Y HA 0.688 5.239 4.550 0.001 0.000 0.337 76 Y C -0.160 175.714 175.900 -0.043 0.000 1.076 76 Y CA -0.553 57.538 58.100 -0.014 0.000 1.115 76 Y CB 1.940 40.462 38.460 0.102 0.000 1.235 76 Y HN 0.585 nan 8.280 nan 0.000 0.468 77 R N 1.118 121.600 120.500 -0.030 0.000 2.888 77 R HA 0.360 4.701 4.340 0.001 0.000 0.264 77 R C -2.036 173.817 176.300 -0.745 0.000 1.045 77 R CA -1.994 53.889 56.100 -0.362 0.000 0.962 77 R CB 1.486 31.630 30.300 -0.261 0.000 1.210 77 R HN 0.291 nan 8.270 nan 0.000 0.479 78 P HA -0.318 nan 4.420 nan 0.000 0.217 78 P C 0.652 177.723 177.300 -0.380 0.000 1.158 78 P CA 1.701 64.273 63.100 -0.880 0.000 0.887 78 P CB 0.101 31.530 31.700 -0.452 0.000 0.792 79 K N -0.413 119.850 120.400 -0.228 0.000 2.360 79 K HA -0.165 4.156 4.320 0.001 0.000 0.201 79 K C 0.653 177.222 176.600 -0.051 0.000 1.046 79 K CA 1.637 57.859 56.287 -0.108 0.000 0.945 79 K CB -0.664 31.784 32.500 -0.087 0.000 0.750 79 K HN 0.114 nan 8.250 nan 0.000 0.464 80 D N 1.018 121.403 120.400 -0.025 0.000 2.355 80 D HA 0.073 4.714 4.640 0.001 0.000 0.218 80 D C 0.233 176.582 176.300 0.080 0.000 1.004 80 D CA 0.436 54.480 54.000 0.073 0.000 0.880 80 D CB 0.481 41.405 40.800 0.207 0.000 0.911 80 D HN 0.376 nan 8.370 nan 0.000 0.528 81 A N 1.588 124.452 122.820 0.073 0.000 2.350 81 A HA 0.578 4.899 4.320 0.001 0.000 0.324 81 A C -2.468 175.142 177.584 0.044 0.000 1.118 81 A CA -1.343 50.753 52.037 0.098 0.000 0.783 81 A CB 1.334 20.469 19.000 0.224 0.000 1.236 81 A HN -0.175 nan 8.150 nan 0.000 0.457 82 P HA 0.201 nan 4.420 nan 0.000 0.271 82 P C 0.194 177.499 177.300 0.008 0.000 1.218 82 P CA -0.177 62.927 63.100 0.006 0.000 0.780 82 P CB 0.990 32.686 31.700 -0.007 0.000 0.901 83 K N 1.464 121.865 120.400 0.002 0.000 2.026 83 K HA -0.061 4.259 4.320 0.001 0.000 0.208 83 K C 0.674 177.271 176.600 -0.005 0.000 1.048 83 K CA 1.584 57.872 56.287 0.002 0.000 0.929 83 K CB -0.139 32.361 32.500 -0.000 0.000 0.713 83 K HN 0.374 nan 8.250 nan 0.000 0.439 84 K N 1.301 121.693 120.400 -0.013 0.000 2.264 84 K HA 0.163 4.483 4.320 0.001 0.000 0.277 84 K C 0.545 177.107 176.600 -0.062 0.000 1.067 84 K CA -0.153 56.117 56.287 -0.027 0.000 0.900 84 K CB 0.933 33.429 32.500 -0.006 0.000 1.124 84 K HN 0.052 nan 8.250 nan 0.000 0.469 85 L N 1.972 123.130 121.223 -0.108 0.000 2.201 85 L HA -0.032 4.309 4.340 0.001 0.000 0.212 85 L C 1.083 177.826 176.870 -0.212 0.000 1.105 85 L CA 0.696 55.448 54.840 -0.146 0.000 0.775 85 L CB -0.711 41.256 42.059 -0.154 0.000 0.913 85 L HN 0.995 nan 8.230 nan 0.000 0.440 86 G N -1.008 107.605 108.800 -0.313 0.000 2.746 86 G HA2 -0.222 3.738 3.960 0.001 0.000 0.685 86 G HA3 -0.222 3.738 3.960 0.001 0.000 0.685 86 G C -1.225 173.325 174.900 -0.584 0.000 1.350 86 G CA -0.785 44.150 45.100 -0.275 0.000 0.837 86 G HN 0.041 nan 8.290 nan 0.000 0.564 87 Y N 0.016 120.271 120.300 -0.075 0.000 2.477 87 Y HA 0.628 5.178 4.550 0.001 0.000 0.347 87 Y C -1.806 174.022 175.900 -0.119 0.000 0.981 87 Y CA -1.780 56.271 58.100 -0.082 0.000 1.033 87 Y CB 2.607 41.018 38.460 -0.083 0.000 1.245 87 Y HN 0.557 nan 8.280 nan 0.000 0.455 88 P HA 0.180 nan 4.420 nan 0.000 0.275 88 P C 0.688 177.981 177.300 -0.013 0.000 1.228 88 P CA 0.621 63.731 63.100 0.016 0.000 0.786 88 P CB 1.176 32.905 31.700 0.048 0.000 0.927 89 G N 0.372 109.155 108.800 -0.029 0.000 2.184 89 G HA2 -0.177 3.783 3.960 0.001 0.000 0.264 89 G HA3 -0.177 3.783 3.960 0.001 0.000 0.264 89 G C -0.185 174.530 174.900 -0.308 0.000 0.975 89 G CA 0.205 45.304 45.100 -0.002 0.000 0.642 89 G HN 0.594 nan 8.290 nan 0.000 0.536 90 V N 0.138 119.639 119.914 -0.689 0.000 2.760 90 V HA 0.807 4.927 4.120 0.001 0.000 0.309 90 V C 0.700 176.234 176.094 -0.933 0.000 1.077 90 V CA -0.773 61.134 62.300 -0.656 0.000 0.910 90 V CB 1.674 33.364 31.823 -0.223 0.000 1.008 90 V HN 1.417 nan 8.190 nan 0.000 0.424 91 A N 5.701 128.136 122.820 -0.641 0.000 2.587 91 A HA 0.311 4.632 4.320 0.001 0.000 0.235 91 A C -0.810 176.712 177.584 -0.103 0.000 1.044 91 A CA -0.107 51.836 52.037 -0.157 0.000 0.754 91 A CB -0.169 18.881 19.000 0.082 0.000 0.968 91 A HN 0.789 nan 8.150 nan 0.000 0.509 92 P HA 0.119 nan 4.420 nan 0.000 0.245 92 P C 0.161 177.612 177.300 0.251 0.000 1.212 92 P CA 0.208 63.374 63.100 0.110 0.000 0.774 92 P CB -0.262 31.481 31.700 0.072 0.000 0.999 93 F N -2.418 117.571 119.950 0.065 0.000 2.748 93 F HA -0.289 4.238 4.527 0.001 0.000 0.370 93 F C 1.764 177.591 175.800 0.044 0.000 0.620 93 F CA 1.333 59.376 58.000 0.072 0.000 1.233 93 F CB -2.845 36.221 39.000 0.111 0.000 1.708 93 F HN -0.076 nan 8.300 nan 0.000 0.298 94 T N -0.184 114.454 114.554 0.141 0.000 2.653 94 T HA -0.281 4.069 4.350 0.001 0.000 0.268 94 T C 1.834 176.553 174.700 0.032 0.000 1.035 94 T CA 1.999 64.138 62.100 0.065 0.000 1.154 94 T CB -0.228 68.652 68.868 0.020 0.000 0.862 94 T HN 0.434 nan 8.240 nan 0.000 0.441 95 R N 1.178 121.684 120.500 0.010 0.000 2.235 95 R HA 0.265 4.606 4.340 0.001 0.000 0.213 95 R C 1.179 177.491 176.300 0.021 0.000 1.059 95 R CA 0.604 56.698 56.100 -0.011 0.000 0.997 95 R CB -0.038 30.234 30.300 -0.046 0.000 0.884 95 R HN 0.503 nan 8.270 nan 0.000 0.462 96 G N -1.543 107.304 108.800 0.079 0.000 2.352 96 G HA2 -0.013 3.948 3.960 0.001 0.000 0.305 96 G HA3 -0.013 3.948 3.960 0.001 0.000 0.305 96 G C -0.190 174.853 174.900 0.239 0.000 1.537 96 G CA -0.639 44.528 45.100 0.112 0.000 0.959 96 G HN -0.098 nan 8.290 nan 0.000 0.668 97 T N -0.018 114.686 114.554 0.249 0.000 3.146 97 T HA 0.236 4.587 4.350 0.001 0.000 0.235 97 T C 1.216 176.059 174.700 0.237 0.000 0.985 97 T CA 1.512 63.816 62.100 0.339 0.000 1.265 97 T CB -0.172 68.826 68.868 0.217 0.000 0.946 97 T HN 0.692 nan 8.240 nan 0.000 0.418 98 T N 3.471 118.118 114.554 0.156 0.000 2.780 98 T HA 0.481 4.831 4.350 0.001 0.000 0.294 98 T C -0.084 174.678 174.700 0.103 0.000 0.949 98 T CA -0.404 61.771 62.100 0.125 0.000 1.074 98 T CB 1.301 70.231 68.868 0.102 0.000 0.910 98 T HN -0.034 nan 8.240 nan 0.000 0.501 99 V N 4.930 124.899 119.914 0.092 0.000 2.572 99 V HA 0.200 4.321 4.120 0.001 0.000 0.291 99 V C 0.819 176.952 176.094 0.065 0.000 1.039 99 V CA -0.295 62.049 62.300 0.073 0.000 1.055 99 V CB 0.329 32.190 31.823 0.064 0.000 0.969 99 V HN 0.723 nan 8.190 nan 0.000 0.482 100 R N 3.410 123.946 120.500 0.060 0.000 2.404 100 R HA 0.276 4.617 4.340 0.001 0.000 0.291 100 R C 0.866 177.191 176.300 0.043 0.000 1.025 100 R CA -0.451 55.682 56.100 0.056 0.000 0.991 100 R CB 0.541 30.879 30.300 0.063 0.000 1.053 100 R HN 0.843 nan 8.270 nan 0.000 0.479 101 N N 1.271 119.991 118.700 0.033 0.000 2.336 101 N HA 0.048 4.789 4.740 0.001 0.000 0.189 101 N C 0.812 176.333 175.510 0.019 0.000 1.113 101 N CA 0.547 53.612 53.050 0.025 0.000 0.858 101 N CB 0.833 39.332 38.487 0.020 0.000 0.970 101 N HN 0.831 nan 8.380 nan 0.000 0.471 102 G N -0.514 108.298 108.800 0.020 0.000 2.175 102 G HA2 -0.234 3.727 3.960 0.001 0.000 0.244 102 G HA3 -0.234 3.727 3.960 0.001 0.000 0.244 102 G C -0.690 174.212 174.900 0.003 0.000 0.982 102 G CA 0.116 45.224 45.100 0.015 0.000 0.641 102 G HN 0.442 nan 8.290 nan 0.000 0.527 103 D N 0.182 120.579 120.400 -0.005 0.000 2.339 103 D HA 0.456 5.096 4.640 0.001 0.000 0.245 103 D C 2.061 178.336 176.300 -0.041 0.000 1.115 103 D CA 0.209 54.196 54.000 -0.021 0.000 0.917 103 D CB 0.758 41.542 40.800 -0.028 0.000 1.192 103 D HN 0.407 nan 8.370 nan 0.000 0.428 104 M N -0.142 119.425 119.600 -0.056 0.000 2.117 104 M HA -0.081 4.399 4.480 0.001 0.000 0.262 104 M C 0.043 176.240 176.300 -0.172 0.000 1.065 104 M CA 1.453 56.701 55.300 -0.088 0.000 1.114 104 M CB 0.075 32.631 32.600 -0.074 0.000 1.361 104 M HN -0.037 nan 8.290 nan 0.000 0.408 105 D N 2.016 122.304 120.400 -0.186 0.000 2.517 105 D HA 0.338 4.979 4.640 0.001 0.000 0.220 105 D C 0.862 177.021 176.300 -0.236 0.000 1.158 105 D CA 0.257 54.085 54.000 -0.287 0.000 0.992 105 D CB 1.170 41.841 40.800 -0.215 0.000 1.058 105 D HN 0.455 nan 8.370 nan 0.000 0.516 106 A N 2.834 125.494 122.820 -0.266 0.000 1.850 106 A HA 0.059 4.380 4.320 0.001 0.000 0.212 106 A C 0.770 178.367 177.584 0.022 0.000 1.208 106 A CA 0.395 52.394 52.037 -0.063 0.000 0.609 106 A CB -0.289 18.774 19.000 0.105 0.000 0.860 106 A HN 0.588 nan 8.150 nan 0.000 0.448 107 W N -0.389 120.902 121.300 -0.016 0.000 2.367 107 W HA 0.622 5.282 4.660 0.001 0.000 0.369 107 W C -0.697 175.816 176.519 -0.009 0.000 1.276 107 W CA -0.741 56.594 57.345 -0.016 0.000 1.415 107 W CB 0.092 29.534 29.460 -0.029 0.000 1.306 107 W HN 0.123 nan 8.180 nan 0.000 0.669 108 D N 0.571 121.107 120.400 0.227 0.000 2.249 108 D HA 0.220 4.861 4.640 0.001 0.000 0.246 108 D C -0.997 175.433 176.300 0.215 0.000 1.114 108 D CA -0.598 53.469 54.000 0.112 0.000 0.854 108 D CB 1.510 42.374 40.800 0.107 0.000 1.132 108 D HN 0.281 nan 8.370 nan 0.000 0.461 109 V N 5.680 125.653 119.914 0.098 0.000 2.389 109 V HA 0.245 4.366 4.120 0.001 0.000 0.264 109 V C 0.674 176.830 176.094 0.102 0.000 1.049 109 V CA -0.425 61.959 62.300 0.139 0.000 0.932 109 V CB 0.375 32.232 31.823 0.057 0.000 1.011 109 V HN 0.465 nan 8.190 nan 0.000 0.475 110 R N 4.559 125.123 120.500 0.107 0.000 2.247 110 R HA 0.634 4.974 4.340 0.001 0.000 0.329 110 R C 0.064 176.400 176.300 0.061 0.000 1.014 110 R CA -0.325 55.819 56.100 0.074 0.000 0.907 110 R CB 0.793 31.123 30.300 0.050 0.000 1.146 110 R HN 0.781 nan 8.270 nan 0.000 0.499 111 A N 4.598 127.464 122.820 0.076 0.000 2.409 111 A HA 0.226 4.547 4.320 0.001 0.000 0.262 111 A C -0.602 176.987 177.584 0.009 0.000 1.113 111 A CA -0.550 51.505 52.037 0.031 0.000 0.790 111 A CB 0.453 19.487 19.000 0.057 0.000 1.046 111 A HN 0.714 nan 8.150 nan 0.000 0.496 112 L N 4.117 125.294 121.223 -0.077 0.000 2.281 112 L HA 0.360 4.701 4.340 0.001 0.000 0.285 112 L C -0.502 176.249 176.870 -0.197 0.000 1.074 112 L CA 0.364 55.189 54.840 -0.024 0.000 0.817 112 L CB 0.189 42.266 42.059 0.030 0.000 1.168 112 L HN 0.673 nan 8.230 nan 0.000 0.434 113 H N 5.188 124.348 119.070 0.151 0.000 2.589 113 H HA 0.363 4.920 4.556 0.001 0.000 0.335 113 H C -0.502 174.910 175.328 0.140 0.000 1.019 113 H CA -0.270 55.863 56.048 0.141 0.000 1.213 113 H CB 1.593 31.424 29.762 0.116 0.000 1.472 113 H HN 0.752 nan 8.280 nan 0.000 0.508 114 E N 1.082 121.416 120.200 0.224 0.000 2.702 114 E HA -0.001 4.350 4.350 0.001 0.000 0.225 114 E C -0.398 176.289 176.600 0.145 0.000 0.942 114 E CA -0.174 56.322 56.400 0.160 0.000 1.210 114 E CB 1.259 31.053 29.700 0.156 0.000 1.143 114 E HN 0.378 nan 8.360 nan 0.000 0.544 115 D N 2.474 122.974 120.400 0.167 0.000 2.343 115 D HA 0.030 4.670 4.640 0.001 0.000 0.255 115 D C -1.379 174.967 176.300 0.077 0.000 1.187 115 D CA -2.153 51.904 54.000 0.095 0.000 0.875 115 D CB 1.432 42.281 40.800 0.083 0.000 1.136 115 D HN -0.100 nan 8.370 nan 0.000 0.469 116 P HA -0.112 nan 4.420 nan 0.000 0.218 116 P C 0.319 177.592 177.300 -0.045 0.000 1.149 116 P CA 0.449 63.551 63.100 0.003 0.000 0.817 116 P CB 0.086 31.785 31.700 -0.001 0.000 0.785 117 D N 1.365 121.741 120.400 -0.040 0.000 2.451 117 D HA -0.089 4.551 4.640 0.001 0.000 0.254 117 D C 1.382 177.672 176.300 -0.017 0.000 1.204 117 D CA 0.185 54.158 54.000 -0.045 0.000 0.896 117 D CB 0.648 41.444 40.800 -0.006 0.000 1.136 117 D HN 0.221 nan 8.370 nan 0.000 0.499 118 E N 4.621 124.739 120.200 -0.138 0.000 2.152 118 E HA -0.182 4.168 4.350 0.001 0.000 0.192 118 E C 0.875 177.463 176.600 -0.020 0.000 0.983 118 E CA 0.566 56.897 56.400 -0.115 0.000 0.818 118 E CB -0.017 29.510 29.700 -0.288 0.000 0.758 118 E HN 0.294 nan 8.360 nan 0.000 0.467 119 K N 0.765 121.167 120.400 0.004 0.000 2.025 119 K HA -0.060 4.261 4.320 0.001 0.000 0.207 119 K C 2.025 178.665 176.600 0.067 0.000 1.049 119 K CA 1.004 57.308 56.287 0.030 0.000 0.933 119 K CB -0.969 31.550 32.500 0.033 0.000 0.714 119 K HN 0.204 nan 8.250 nan 0.000 0.438 120 F N 2.271 122.207 119.950 -0.024 0.000 2.075 120 F HA -0.243 4.285 4.527 0.001 0.000 0.297 120 F C 2.205 178.008 175.800 0.006 0.000 1.113 120 F CA 1.887 59.886 58.000 -0.002 0.000 1.218 120 F CB -0.451 38.551 39.000 0.004 0.000 0.984 120 F HN -0.002 nan 8.300 nan 0.000 0.472 121 T N 0.707 115.399 114.554 0.230 0.000 2.684 121 T HA -0.244 4.107 4.350 0.001 0.000 0.267 121 T C 2.075 176.733 174.700 -0.071 0.000 1.036 121 T CA 1.643 63.808 62.100 0.108 0.000 1.148 121 T CB -0.412 68.534 68.868 0.130 0.000 0.863 121 T HN 0.242 nan 8.240 nan 0.000 0.436 122 R N 1.098 121.566 120.500 -0.053 0.000 2.097 122 R HA -0.171 4.169 4.340 0.001 0.000 0.236 122 R C 2.350 178.584 176.300 -0.110 0.000 1.135 122 R CA 1.864 57.918 56.100 -0.076 0.000 0.934 122 R CB -0.126 30.151 30.300 -0.039 0.000 0.846 122 R HN 0.333 nan 8.270 nan 0.000 0.431 123 K N -0.276 120.050 120.400 -0.123 0.000 2.026 123 K HA -0.089 4.232 4.320 0.001 0.000 0.208 123 K C 2.134 178.618 176.600 -0.192 0.000 1.048 123 K CA 1.459 57.656 56.287 -0.150 0.000 0.929 123 K CB -0.203 32.202 32.500 -0.159 0.000 0.713 123 K HN 0.260 nan 8.250 nan 0.000 0.439 124 A N 1.353 124.009 122.820 -0.275 0.000 1.908 124 A HA -0.173 4.148 4.320 0.001 0.000 0.218 124 A C 2.170 179.715 177.584 -0.064 0.000 1.181 124 A CA 1.394 53.323 52.037 -0.180 0.000 0.627 124 A CB -0.657 18.256 19.000 -0.144 0.000 0.818 124 A HN 0.188 nan 8.150 nan 0.000 0.445 125 I N -1.023 119.387 120.570 -0.268 0.000 2.127 125 I HA -0.254 3.917 4.170 0.001 0.000 0.241 125 I C 2.455 178.504 176.117 -0.113 0.000 1.075 125 I CA 1.517 62.620 61.300 -0.328 0.000 1.334 125 I CB -0.259 37.507 38.000 -0.390 0.000 1.040 125 I HN 0.417 nan 8.210 nan 0.000 0.405 126 L N 0.938 122.103 121.223 -0.096 0.000 2.046 126 L HA -0.243 4.098 4.340 0.001 0.000 0.208 126 L C 2.388 179.237 176.870 -0.035 0.000 1.077 126 L CA 1.953 56.760 54.840 -0.056 0.000 0.747 126 L CB -0.614 41.412 42.059 -0.055 0.000 0.896 126 L HN 0.243 nan 8.230 nan 0.000 0.432 127 E N -0.877 119.299 120.200 -0.039 0.000 2.038 127 E HA -0.188 4.163 4.350 0.001 0.000 0.195 127 E C 2.109 178.714 176.600 0.009 0.000 1.000 127 E CA 1.491 57.879 56.400 -0.021 0.000 0.803 127 E CB -0.621 29.056 29.700 -0.037 0.000 0.750 127 E HN 0.568 nan 8.360 nan 0.000 0.448 128 G N 0.922 109.744 108.800 0.036 0.000 2.433 128 G HA2 -0.255 3.705 3.960 0.001 0.000 0.216 128 G HA3 -0.255 3.705 3.960 0.001 0.000 0.216 128 G C 1.574 176.499 174.900 0.043 0.000 1.186 128 G CA 1.008 46.147 45.100 0.065 0.000 0.779 128 G HN 0.248 nan 8.290 nan 0.000 0.543 129 L N 0.142 121.383 121.223 0.029 0.000 2.079 129 L HA -0.089 4.252 4.340 0.001 0.000 0.210 129 L C 2.699 179.572 176.870 0.005 0.000 1.081 129 L CA 1.297 56.146 54.840 0.015 0.000 0.752 129 L CB -0.373 41.688 42.059 0.003 0.000 0.896 129 L HN 0.281 nan 8.230 nan 0.000 0.433 130 E N -0.232 119.968 120.200 0.000 0.000 2.482 130 E HA -0.055 4.296 4.350 0.001 0.000 0.196 130 E C 0.848 177.449 176.600 0.000 0.000 1.047 130 E CA 0.231 56.629 56.400 -0.003 0.000 0.869 130 E CB 0.259 29.955 29.700 -0.006 0.000 0.836 130 E HN 0.335 nan 8.360 nan 0.000 0.520 131 R N -0.703 119.801 120.500 0.007 0.000 2.903 131 R HA 0.189 4.529 4.340 0.001 0.000 0.363 131 R C 0.259 176.564 176.300 0.007 0.000 1.161 131 R CA 0.235 56.340 56.100 0.009 0.000 1.109 131 R CB 1.017 31.327 30.300 0.017 0.000 1.399 131 R HN 0.184 nan 8.270 nan 0.000 0.587 132 G N -0.129 108.670 108.800 -0.003 0.000 2.179 132 G HA2 -0.271 3.689 3.960 0.001 0.000 0.260 132 G HA3 -0.271 3.689 3.960 0.001 0.000 0.260 132 G C 0.243 175.138 174.900 -0.008 0.000 0.977 132 G CA 0.069 45.160 45.100 -0.015 0.000 0.641 132 G HN 0.231 nan 8.290 nan 0.000 0.533 133 V N 1.656 121.580 119.914 0.017 0.000 2.614 133 V HA 0.486 4.607 4.120 0.001 0.000 0.291 133 V C 1.653 177.762 176.094 0.024 0.000 1.049 133 V CA 1.140 63.461 62.300 0.036 0.000 1.038 133 V CB 1.424 33.289 31.823 0.070 0.000 0.980 133 V HN 0.668 nan 8.190 nan 0.000 0.481 134 T N -0.896 113.671 114.554 0.022 0.000 2.985 134 T HA 0.245 4.595 4.350 0.001 0.000 0.254 134 T C 0.444 175.164 174.700 0.034 0.000 1.021 134 T CA 0.399 62.508 62.100 0.015 0.000 0.957 134 T CB 0.263 69.127 68.868 -0.007 0.000 1.047 134 T HN 0.788 nan 8.240 nan 0.000 0.511 135 S N 0.488 116.219 115.700 0.051 0.000 2.570 135 S HA 0.725 5.195 4.470 0.001 0.000 0.270 135 S C -1.546 173.103 174.600 0.082 0.000 1.149 135 S CA -1.135 57.101 58.200 0.060 0.000 0.837 135 S CB 1.351 64.582 63.200 0.051 0.000 1.124 135 S HN 0.268 nan 8.310 nan 0.000 0.465 136 L N 1.473 122.749 121.223 0.088 0.000 2.334 136 L HA 0.704 5.045 4.340 0.001 0.000 0.276 136 L C -1.275 175.665 176.870 0.116 0.000 1.014 136 L CA -1.037 53.880 54.840 0.128 0.000 0.815 136 L CB 1.708 43.839 42.059 0.121 0.000 1.268 136 L HN 0.667 nan 8.230 nan 0.000 0.428 137 L N 3.871 125.188 121.223 0.156 0.000 2.388 137 L HA 0.524 4.865 4.340 0.001 0.000 0.267 137 L C -1.275 175.760 176.870 0.274 0.000 0.995 137 L CA -0.140 54.792 54.840 0.154 0.000 0.864 137 L CB 1.227 43.319 42.059 0.055 0.000 1.216 137 L HN 0.380 nan 8.230 nan 0.000 0.430 138 L N 4.509 125.898 121.223 0.277 0.000 2.296 138 L HA 0.540 4.881 4.340 0.001 0.000 0.286 138 L C 0.182 177.152 176.870 0.167 0.000 1.023 138 L CA -0.213 54.771 54.840 0.239 0.000 0.812 138 L CB 1.558 43.702 42.059 0.142 0.000 1.223 138 L HN 0.501 nan 8.230 nan 0.000 0.421 139 R N 2.860 123.360 120.500 0.001 0.000 2.220 139 R HA 0.482 4.823 4.340 0.001 0.000 0.340 139 R C -1.319 174.823 176.300 -0.264 0.000 1.076 139 R CA -0.347 55.436 56.100 -0.528 0.000 0.920 139 R CB 0.536 30.463 30.300 -0.620 0.000 1.062 139 R HN 0.426 nan 8.270 nan 0.000 0.469 140 V N 5.667 125.429 119.914 -0.253 0.000 2.318 140 V HA 0.349 4.469 4.120 0.001 0.000 0.271 140 V C -0.210 175.816 176.094 -0.114 0.000 1.030 140 V CA -0.242 61.988 62.300 -0.116 0.000 0.844 140 V CB 1.087 32.867 31.823 -0.072 0.000 1.015 140 V HN 0.826 nan 8.190 nan 0.000 0.460 141 D N 5.035 125.395 120.400 -0.065 0.000 2.692 141 D HA 0.349 4.990 4.640 0.001 0.000 0.303 141 D C -2.052 174.235 176.300 -0.021 0.000 1.278 141 D CA -0.845 53.151 54.000 -0.007 0.000 0.852 141 D CB 2.571 43.393 40.800 0.036 0.000 1.375 141 D HN 0.123 nan 8.370 nan 0.000 0.453 142 P HA -0.067 nan 4.420 nan 0.000 0.217 142 P C 0.495 177.734 177.300 -0.101 0.000 1.150 142 P CA 1.363 64.387 63.100 -0.126 0.000 0.832 142 P CB 0.224 31.758 31.700 -0.276 0.000 0.787 143 D N -1.482 118.866 120.400 -0.088 0.000 2.342 143 D HA 0.306 4.946 4.640 0.001 0.000 0.221 143 D C 0.715 177.016 176.300 0.001 0.000 1.101 143 D CA -0.353 53.624 54.000 -0.039 0.000 0.837 143 D CB 0.310 41.086 40.800 -0.040 0.000 0.938 143 D HN 0.110 nan 8.370 nan 0.000 0.508 144 A N 0.136 122.953 122.820 -0.005 0.000 4.238 144 A HA 0.577 4.897 4.320 0.001 0.000 0.196 144 A C -0.629 176.966 177.584 0.017 0.000 0.732 144 A CA -0.723 51.317 52.037 0.006 0.000 0.721 144 A CB 0.118 19.090 19.000 -0.047 0.000 1.642 144 A HN 0.075 nan 8.150 nan 0.000 0.861 145 I N 1.418 121.999 120.570 0.020 0.000 2.496 145 I HA 0.408 4.579 4.170 0.001 0.000 0.285 145 I C 0.814 176.963 176.117 0.053 0.000 1.080 145 I CA 0.015 61.344 61.300 0.049 0.000 1.404 145 I CB 1.253 39.289 38.000 0.060 0.000 1.403 145 I HN 0.606 nan 8.210 nan 0.000 0.539 146 A N 8.473 131.360 122.820 0.113 0.000 2.371 146 A HA 0.400 4.721 4.320 0.001 0.000 0.257 146 A C -1.579 176.044 177.584 0.065 0.000 1.089 146 A CA -1.270 50.825 52.037 0.096 0.000 0.794 146 A CB -0.013 19.087 19.000 0.167 0.000 1.029 146 A HN 0.561 nan 8.150 nan 0.000 0.488 147 P HA -0.225 nan 4.420 nan 0.000 0.216 147 P C 1.204 178.488 177.300 -0.027 0.000 1.150 147 P CA 1.747 64.842 63.100 -0.009 0.000 0.843 147 P CB 0.074 31.763 31.700 -0.018 0.000 0.787 148 E N -1.250 118.898 120.200 -0.087 0.000 2.268 148 E HA -0.206 4.144 4.350 0.001 0.000 0.195 148 E C 1.280 177.734 176.600 -0.243 0.000 0.995 148 E CA 1.183 57.477 56.400 -0.175 0.000 0.836 148 E CB -1.038 28.497 29.700 -0.274 0.000 0.763 148 E HN 0.426 nan 8.360 nan 0.000 0.491 149 H N -0.077 118.997 119.070 0.006 0.000 2.553 149 H HA 0.137 4.694 4.556 0.001 0.000 0.265 149 H C 1.884 177.217 175.328 0.008 0.000 0.964 149 H CA 0.034 56.086 56.048 0.008 0.000 1.156 149 H CB 0.404 30.173 29.762 0.011 0.000 1.411 149 H HN 0.119 nan 8.280 nan 0.000 0.558 150 L N 1.427 122.706 121.223 0.094 0.000 2.012 150 L HA -0.178 4.163 4.340 0.001 0.000 0.210 150 L C 2.245 179.146 176.870 0.052 0.000 1.073 150 L CA 1.849 56.727 54.840 0.063 0.000 0.748 150 L CB -0.487 41.597 42.059 0.041 0.000 0.891 150 L HN 0.220 nan 8.230 nan 0.000 0.431 151 D N -0.925 119.499 120.400 0.041 0.000 2.097 151 D HA -0.263 4.377 4.640 0.001 0.000 0.195 151 D C 1.950 178.267 176.300 0.029 0.000 0.989 151 D CA 1.437 55.454 54.000 0.029 0.000 0.827 151 D CB 0.091 40.903 40.800 0.020 0.000 0.966 151 D HN 0.565 nan 8.370 nan 0.000 0.456 152 E N 0.121 120.353 120.200 0.053 0.000 2.152 152 E HA -0.122 4.228 4.350 0.001 0.000 0.192 152 E C 2.291 178.912 176.600 0.034 0.000 0.983 152 E CA 0.865 57.298 56.400 0.054 0.000 0.818 152 E CB 0.222 29.984 29.700 0.104 0.000 0.758 152 E HN 0.302 nan 8.360 nan 0.000 0.467 153 V N -1.304 118.632 119.914 0.037 0.000 3.041 153 V HA -0.048 4.073 4.120 0.001 0.000 0.260 153 V C 1.857 177.934 176.094 -0.027 0.000 1.105 153 V CA 0.871 63.171 62.300 -0.000 0.000 1.125 153 V CB -0.336 31.487 31.823 -0.000 0.000 0.730 153 V HN 0.138 nan 8.190 nan 0.000 0.479 154 L N 0.736 121.950 121.223 -0.014 0.000 2.607 154 L HA 0.175 4.516 4.340 0.001 0.000 0.228 154 L C 2.626 179.475 176.870 -0.035 0.000 1.123 154 L CA 0.804 55.630 54.840 -0.025 0.000 0.890 154 L CB -0.131 41.923 42.059 -0.008 0.000 1.103 154 L HN 0.405 nan 8.230 nan 0.000 0.468 155 S N 1.011 116.696 115.700 -0.025 0.000 2.372 155 S HA -0.254 4.217 4.470 0.001 0.000 0.227 155 S C 1.385 175.965 174.600 -0.033 0.000 1.044 155 S CA 2.138 60.323 58.200 -0.025 0.000 1.050 155 S CB -0.152 63.040 63.200 -0.013 0.000 0.901 155 S HN 0.520 nan 8.310 nan 0.000 0.447 156 D N 0.707 121.085 120.400 -0.036 0.000 2.328 156 D HA 0.139 4.780 4.640 0.001 0.000 0.226 156 D C -0.064 176.212 176.300 -0.041 0.000 1.066 156 D CA 0.085 54.063 54.000 -0.037 0.000 0.861 156 D CB 0.213 40.991 40.800 -0.037 0.000 0.912 156 D HN 0.261 nan 8.370 nan 0.000 0.521 157 V N 2.186 122.072 119.914 -0.048 0.000 2.461 157 V HA 0.106 4.226 4.120 0.001 0.000 0.275 157 V C 0.670 176.729 176.094 -0.058 0.000 1.047 157 V CA -0.535 61.737 62.300 -0.047 0.000 0.955 157 V CB 1.688 33.484 31.823 -0.045 0.000 0.988 157 V HN 0.047 nan 8.190 nan 0.000 0.471 158 L N 6.269 127.466 121.223 -0.044 0.000 2.385 158 L HA 0.231 4.572 4.340 0.001 0.000 0.285 158 L C 1.378 178.216 176.870 -0.055 0.000 1.125 158 L CA -0.200 54.612 54.840 -0.047 0.000 0.890 158 L CB 0.210 42.253 42.059 -0.027 0.000 1.251 158 L HN 0.666 nan 8.230 nan 0.000 0.445 159 L N 2.279 123.435 121.223 -0.111 0.000 2.129 159 L HA -0.251 4.090 4.340 0.001 0.000 0.212 159 L C 2.807 179.650 176.870 -0.046 0.000 1.087 159 L CA 1.863 56.603 54.840 -0.168 0.000 0.757 159 L CB -0.548 41.242 42.059 -0.450 0.000 0.896 159 L HN 0.863 nan 8.230 nan 0.000 0.434 160 E N -0.444 119.747 120.200 -0.015 0.000 2.435 160 E HA -0.052 4.298 4.350 0.001 0.000 0.195 160 E C 1.903 178.522 176.600 0.031 0.000 1.029 160 E CA 0.729 57.146 56.400 0.029 0.000 0.865 160 E CB -0.203 nan 29.700 nan 0.000 0.833 160 E HN 0.554 nan 8.360 nan 0.000 0.510 161 M N -0.427 119.183 119.600 0.017 0.000 2.571 161 M HA 0.145 4.626 4.480 0.001 0.000 0.259 161 M C -0.026 176.290 176.300 0.025 0.000 1.205 161 M CA 0.652 55.962 55.300 0.018 0.000 1.138 161 M CB 1.461 34.065 32.600 0.006 0.000 1.329 161 M HN 0.053 nan 8.290 nan 0.000 0.503 162 T N 1.070 115.642 114.554 0.031 0.000 2.841 162 T HA 0.324 4.674 4.350 0.001 0.000 0.285 162 T C -0.701 174.047 174.700 0.081 0.000 0.991 162 T CA -0.778 61.349 62.100 0.044 0.000 0.966 162 T CB 2.248 71.135 68.868 0.031 0.000 0.962 162 T HN -0.003 nan 8.240 nan 0.000 0.438 163 K N 2.600 123.046 120.400 0.076 0.000 2.298 163 K HA 0.494 4.814 4.320 0.001 0.000 0.280 163 K C -0.960 175.690 176.600 0.084 0.000 1.032 163 K CA -0.344 55.992 56.287 0.083 0.000 0.958 163 K CB 0.473 32.998 32.500 0.042 0.000 0.978 163 K HN 0.330 nan 8.250 nan 0.000 0.472 164 V N 4.187 124.160 119.914 0.099 0.000 2.495 164 V HA 0.359 4.480 4.120 0.001 0.000 0.298 164 V C -0.601 175.484 176.094 -0.016 0.000 1.031 164 V CA -0.698 61.650 62.300 0.080 0.000 0.871 164 V CB 1.357 33.282 31.823 0.171 0.000 0.988 164 V HN 0.936 nan 8.190 nan 0.000 0.432 165 E N 3.422 123.624 120.200 0.003 0.000 2.238 165 E HA 0.751 5.101 4.350 0.001 0.000 0.267 165 E C -1.318 175.300 176.600 0.032 0.000 0.887 165 E CA -0.632 55.752 56.400 -0.027 0.000 0.769 165 E CB 2.383 32.064 29.700 -0.031 0.000 1.187 165 E HN 0.608 nan 8.360 nan 0.000 0.416 166 V N 1.282 121.202 119.914 0.011 0.000 2.960 166 V HA 0.880 5.001 4.120 0.001 0.000 0.315 166 V C -0.751 175.441 176.094 0.164 0.000 1.087 166 V CA -0.756 61.590 62.300 0.076 0.000 0.982 166 V CB 1.121 32.932 31.823 -0.021 0.000 1.039 166 V HN 0.711 nan 8.190 nan 0.000 0.437 167 F N 0.199 120.103 119.950 -0.077 0.000 2.668 167 F HA 0.910 5.438 4.527 0.001 0.000 0.309 167 F C -0.657 175.107 175.800 -0.060 0.000 1.117 167 F CA -0.531 57.420 58.000 -0.082 0.000 0.951 167 F CB 1.716 40.679 39.000 -0.062 0.000 1.323 167 F HN 0.833 nan 8.300 nan 0.000 0.451 168 S N 1.016 116.637 115.700 -0.132 0.000 2.533 168 S HA 0.480 4.951 4.470 0.001 0.000 0.271 168 S C -0.327 174.205 174.600 -0.112 0.000 1.143 168 S CA -0.806 57.263 58.200 -0.218 0.000 0.891 168 S CB 2.168 65.289 63.200 -0.133 0.000 1.105 168 S HN 0.905 nan 8.310 nan 0.000 0.468 169 R N 1.812 122.188 120.500 -0.206 0.000 2.189 169 R HA 0.188 4.529 4.340 0.001 0.000 0.203 169 R C 0.529 176.594 176.300 -0.391 0.000 1.012 169 R CA 0.825 56.711 56.100 -0.355 0.000 1.015 169 R CB 0.061 29.958 30.300 -0.671 0.000 0.938 169 R HN 0.744 nan 8.270 nan 0.000 0.472 170 Y N -1.110 119.225 120.300 0.058 0.000 2.462 170 Y HA 0.210 4.761 4.550 0.001 0.000 0.253 170 Y C 0.041 176.044 175.900 0.172 0.000 1.095 170 Y CA -0.249 57.938 58.100 0.146 0.000 1.283 170 Y CB 1.026 39.486 38.460 -0.000 0.000 1.138 170 Y HN -0.159 nan 8.280 nan 0.000 0.522 171 D N -0.368 120.099 120.400 0.111 0.000 2.492 171 D HA 0.057 4.698 4.640 0.001 0.000 0.229 171 D C 0.094 176.287 176.300 -0.178 0.000 1.345 171 D CA 0.054 54.004 54.000 -0.084 0.000 0.912 171 D CB 0.280 41.081 40.800 0.002 0.000 1.526 171 D HN 0.163 nan 8.370 nan 0.000 0.505 172 Q N 0.797 120.394 119.800 -0.338 0.000 2.084 172 Q HA -0.039 4.302 4.340 0.001 0.000 0.202 172 Q C 1.923 177.753 176.000 -0.284 0.000 0.978 172 Q CA 1.561 57.178 55.803 -0.309 0.000 0.844 172 Q CB 0.177 28.688 28.738 -0.378 0.000 0.898 172 Q HN 0.501 nan 8.270 nan 0.000 0.426 173 G N 1.114 109.795 108.800 -0.200 0.000 2.421 173 G HA2 -0.250 3.711 3.960 0.001 0.000 0.216 173 G HA3 -0.250 3.711 3.960 0.001 0.000 0.216 173 G C 1.563 176.483 174.900 0.033 0.000 1.171 173 G CA 0.990 46.096 45.100 0.011 0.000 0.775 173 G HN 0.423 nan 8.290 nan 0.000 0.543 174 A N 1.190 124.003 122.820 -0.012 0.000 1.908 174 A HA 0.187 4.508 4.320 0.001 0.000 0.218 174 A C 2.826 180.390 177.584 -0.032 0.000 1.181 174 A CA 2.507 54.544 52.037 -0.000 0.000 0.627 174 A CB -0.839 18.153 19.000 -0.014 0.000 0.818 174 A HN 0.837 nan 8.150 nan 0.000 0.445 175 A N -0.341 122.425 122.820 -0.091 0.000 1.898 175 A HA 0.210 4.531 4.320 0.001 0.000 0.216 175 A C 2.520 180.007 177.584 -0.163 0.000 1.181 175 A CA 2.035 54.005 52.037 -0.111 0.000 0.620 175 A CB -1.031 17.889 19.000 -0.134 0.000 0.819 175 A HN 1.041 nan 8.150 nan 0.000 0.442 176 A N -0.190 122.450 122.820 -0.301 0.000 1.858 176 A HA -0.169 4.152 4.320 0.001 0.000 0.216 176 A C 1.976 179.418 177.584 -0.237 0.000 1.190 176 A CA 2.180 53.899 52.037 -0.530 0.000 0.617 176 A CB -0.620 17.637 19.000 -1.238 0.000 0.827 176 A HN 0.537 nan 8.150 nan 0.000 0.443 177 E N 0.158 120.397 120.200 0.064 0.000 2.049 177 E HA -0.145 4.206 4.350 0.001 0.000 0.198 177 E C 2.048 178.722 176.600 0.123 0.000 1.007 177 E CA 1.920 58.493 56.400 0.288 0.000 0.809 177 E CB -0.494 29.361 29.700 0.257 0.000 0.749 177 E HN 0.484 nan 8.360 nan 0.000 0.450 178 A N 0.090 122.939 122.820 0.048 0.000 1.902 178 A HA -0.132 4.189 4.320 0.001 0.000 0.217 178 A C 2.222 179.826 177.584 0.034 0.000 1.181 178 A CA 1.527 53.584 52.037 0.033 0.000 0.623 178 A CB -0.749 18.257 19.000 0.009 0.000 0.818 178 A HN 0.378 nan 8.150 nan 0.000 0.443 179 L N 0.486 121.703 121.223 -0.010 0.000 2.027 179 L HA -0.106 4.235 4.340 0.001 0.000 0.206 179 L C 2.574 179.440 176.870 -0.005 0.000 1.074 179 L CA 2.282 57.112 54.840 -0.017 0.000 0.745 179 L CB -0.496 41.493 42.059 -0.116 0.000 0.898 179 L HN 0.339 nan 8.230 nan 0.000 0.433 180 V N -3.675 116.230 119.914 -0.014 0.000 2.332 180 V HA -0.223 3.897 4.120 0.001 0.000 0.248 180 V C 2.374 178.568 176.094 0.166 0.000 1.055 180 V CA 1.930 64.261 62.300 0.051 0.000 1.038 180 V CB -1.566 30.379 31.823 0.203 0.000 0.651 180 V HN 0.446 nan 8.190 nan 0.000 0.450 181 S N 0.691 116.481 115.700 0.150 0.000 2.359 181 S HA -0.171 4.300 4.470 0.001 0.000 0.224 181 S C 2.043 176.725 174.600 0.137 0.000 1.035 181 S CA 1.739 60.020 58.200 0.136 0.000 1.018 181 S CB -0.584 62.673 63.200 0.095 0.000 0.876 181 S HN 0.486 nan 8.310 nan 0.000 0.448 182 V N 0.538 120.531 119.914 0.132 0.000 2.252 182 V HA -0.232 3.889 4.120 0.001 0.000 0.249 182 V C 2.018 178.175 176.094 0.104 0.000 1.056 182 V CA 1.846 64.210 62.300 0.107 0.000 1.022 182 V CB -0.832 31.058 31.823 0.113 0.000 0.641 182 V HN 0.462 nan 8.190 nan 0.000 0.445 183 Y N 0.382 120.677 120.300 -0.008 0.000 2.224 183 Y HA -0.192 4.359 4.550 0.001 0.000 0.289 183 Y C 2.573 178.608 175.900 0.224 0.000 1.146 183 Y CA 1.751 59.853 58.100 0.002 0.000 1.182 183 Y CB -0.329 37.925 38.460 -0.345 0.000 0.983 183 Y HN 0.327 nan 8.280 nan 0.000 0.524 184 E N -0.312 120.132 120.200 0.407 0.000 2.153 184 E HA -0.172 4.178 4.350 0.001 0.000 0.194 184 E C 1.891 178.598 176.600 0.178 0.000 0.988 184 E CA 0.805 57.407 56.400 0.337 0.000 0.811 184 E CB -0.044 29.819 29.700 0.273 0.000 0.746 184 E HN 0.413 nan 8.360 nan 0.000 0.466 185 R N 0.459 121.034 120.500 0.124 0.000 2.313 185 R HA 0.086 4.426 4.340 0.001 0.000 0.199 185 R C 0.893 177.219 176.300 0.043 0.000 0.958 185 R CA -0.089 56.051 56.100 0.068 0.000 1.047 185 R CB 0.242 30.570 30.300 0.046 0.000 0.955 185 R HN -0.082 nan 8.270 nan 0.000 0.481 186 S N 1.897 117.624 115.700 0.045 0.000 2.564 186 S HA -0.016 4.454 4.470 0.001 0.000 0.278 186 S C -0.057 174.559 174.600 0.026 0.000 1.333 186 S CA -0.693 57.511 58.200 0.006 0.000 1.048 186 S CB 0.790 63.973 63.200 -0.029 0.000 0.900 186 S HN 0.327 nan 8.310 nan 0.000 0.505 187 D N 1.712 122.117 120.400 0.008 0.000 3.123 187 D HA 0.452 5.092 4.640 0.001 0.000 0.305 187 D C -0.778 175.528 176.300 0.009 0.000 1.373 187 D CA -0.586 53.421 54.000 0.012 0.000 0.889 187 D CB 0.223 41.027 40.800 0.007 0.000 1.070 187 D HN 0.165 nan 8.370 nan 0.000 0.494 188 K N 0.911 121.321 120.400 0.017 0.000 2.482 188 K HA 0.438 4.759 4.320 0.001 0.000 0.251 188 K C -2.748 173.880 176.600 0.047 0.000 0.936 188 K CA -2.297 54.004 56.287 0.023 0.000 0.791 188 K CB 1.750 34.257 32.500 0.012 0.000 1.213 188 K HN -0.081 nan 8.250 nan 0.000 0.428 189 P HA -0.088 nan 4.420 nan 0.000 0.258 189 P C 0.072 177.421 177.300 0.082 0.000 1.172 189 P CA 0.264 63.390 63.100 0.044 0.000 0.762 189 P CB 0.775 32.495 31.700 0.033 0.000 0.764 190 A N 4.728 127.585 122.820 0.063 0.000 1.903 190 A HA -0.282 4.039 4.320 0.001 0.000 0.219 190 A C 2.090 179.767 177.584 0.155 0.000 1.191 190 A CA 2.052 54.138 52.037 0.081 0.000 0.638 190 A CB -0.918 17.924 19.000 -0.264 0.000 0.823 190 A HN 0.413 nan 8.150 nan 0.000 0.451 191 K N -0.097 120.345 120.400 0.069 0.000 2.281 191 K HA -0.145 4.176 4.320 0.001 0.000 0.203 191 K C 1.146 177.823 176.600 0.128 0.000 1.046 191 K CA 1.765 58.107 56.287 0.092 0.000 0.938 191 K CB -0.384 32.141 32.500 0.043 0.000 0.737 191 K HN 0.619 nan 8.250 nan 0.000 0.458 192 D N -0.744 119.731 120.400 0.127 0.000 2.249 192 D HA 0.031 4.672 4.640 0.001 0.000 0.205 192 D C -0.320 176.069 176.300 0.148 0.000 0.962 192 D CA 0.489 54.556 54.000 0.111 0.000 0.860 192 D CB 0.222 41.069 40.800 0.079 0.000 0.955 192 D HN 0.110 nan 8.370 nan 0.000 0.505 193 L N 0.815 122.177 121.223 0.231 0.000 2.292 193 L HA 0.615 4.956 4.340 0.001 0.000 0.284 193 L C -0.115 176.936 176.870 0.303 0.000 1.065 193 L CA -0.959 54.057 54.840 0.293 0.000 0.806 193 L CB 1.340 43.623 42.059 0.374 0.000 1.175 193 L HN -0.156 nan 8.230 nan 0.000 0.431 194 A N 5.485 128.445 122.820 0.232 0.000 2.342 194 A HA 0.933 5.253 4.320 0.001 0.000 0.323 194 A C -0.662 176.882 177.584 -0.067 0.000 1.125 194 A CA -0.543 51.542 52.037 0.080 0.000 0.785 194 A CB 1.495 20.536 19.000 0.068 0.000 1.221 194 A HN 0.777 nan 8.150 nan 0.000 0.463 195 L N -0.471 120.580 121.223 -0.287 0.000 2.466 195 L HA 0.773 5.114 4.340 0.001 0.000 0.258 195 L C -1.553 175.129 176.870 -0.313 0.000 0.973 195 L CA -1.059 53.499 54.840 -0.469 0.000 0.826 195 L CB 2.241 43.633 42.059 -1.111 0.000 1.372 195 L HN 0.402 nan 8.230 nan 0.000 0.409 196 N N 1.973 120.519 118.700 -0.257 0.000 2.476 196 N HA 0.504 5.244 4.740 0.001 0.000 0.257 196 N C 0.569 175.941 175.510 -0.230 0.000 0.970 196 N CA -0.546 52.384 53.050 -0.199 0.000 0.938 196 N CB 2.096 40.502 38.487 -0.135 0.000 1.144 196 N HN 0.739 nan 8.380 nan 0.000 0.500 197 L N 0.959 122.021 121.223 -0.268 0.000 2.217 197 L HA 0.103 4.444 4.340 0.001 0.000 0.211 197 L C 1.307 177.991 176.870 -0.311 0.000 1.107 197 L CA 0.622 55.260 54.840 -0.338 0.000 0.783 197 L CB -0.279 41.508 42.059 -0.454 0.000 0.919 197 L HN 0.819 nan 8.230 nan 0.000 0.442 198 G N 0.077 108.733 108.800 -0.240 0.000 2.143 198 G HA2 -0.229 3.732 3.960 0.001 0.000 0.248 198 G HA3 -0.229 3.732 3.960 0.001 0.000 0.248 198 G C 0.145 174.915 174.900 -0.216 0.000 0.991 198 G CA -0.393 44.601 45.100 -0.177 0.000 0.689 198 G HN 0.070 nan 8.290 nan 0.000 0.522 199 L N 0.673 121.706 121.223 -0.315 0.000 2.453 199 L HA 0.550 4.891 4.340 0.001 0.000 0.272 199 L C 0.348 177.075 176.870 -0.238 0.000 1.182 199 L CA 0.753 55.398 54.840 -0.325 0.000 0.858 199 L CB 1.109 42.922 42.059 -0.409 0.000 1.120 199 L HN 0.355 nan 8.230 nan 0.000 0.474 200 D N 4.097 124.406 120.400 -0.152 0.000 2.881 200 D HA 0.193 4.834 4.640 0.001 0.000 0.238 200 D C -1.965 174.408 176.300 0.120 0.000 1.368 200 D CA -0.794 53.215 54.000 0.016 0.000 0.871 200 D CB 1.231 42.079 40.800 0.080 0.000 1.516 200 D HN 0.106 nan 8.370 nan 0.000 0.544 201 P HA -0.080 nan 4.420 nan 0.000 0.216 201 P C 1.817 179.284 177.300 0.277 0.000 1.150 201 P CA 0.754 63.952 63.100 0.162 0.000 0.837 201 P CB 0.607 32.358 31.700 0.084 0.000 0.786 202 I N -0.357 120.418 120.570 0.342 0.000 2.202 202 I HA -0.123 4.047 4.170 0.001 0.000 0.242 202 I C 2.719 178.952 176.117 0.193 0.000 1.091 202 I CA 1.659 63.099 61.300 0.232 0.000 1.368 202 I CB -1.448 36.649 38.000 0.162 0.000 1.058 202 I HN -0.014 nan 8.210 nan 0.000 0.410 203 G N 1.109 110.028 108.800 0.199 0.000 2.476 203 G HA2 -0.352 3.609 3.960 0.001 0.000 0.218 203 G HA3 -0.352 3.609 3.960 0.001 0.000 0.218 203 G C 1.641 176.562 174.900 0.035 0.000 1.164 203 G CA 0.915 46.068 45.100 0.088 0.000 0.768 203 G HN 0.342 nan 8.290 nan 0.000 0.560 204 F N 2.516 122.443 119.950 -0.037 0.000 2.095 204 F HA -0.008 4.519 4.527 0.001 0.000 0.298 204 F C 2.805 178.558 175.800 -0.079 0.000 1.104 204 F CA 1.541 59.491 58.000 -0.084 0.000 1.232 204 F CB -0.443 38.520 39.000 -0.062 0.000 0.987 204 F HN 0.242 nan 8.300 nan 0.000 0.475 205 A N 0.520 123.293 122.820 -0.079 0.000 1.877 205 A HA -0.086 4.234 4.320 0.001 0.000 0.216 205 A C 2.445 179.926 177.584 -0.172 0.000 1.186 205 A CA 2.049 54.012 52.037 -0.124 0.000 0.620 205 A CB -1.661 17.359 19.000 0.033 0.000 0.822 205 A HN 0.548 nan 8.150 nan 0.000 0.443 206 A N -0.375 122.391 122.820 -0.090 0.000 1.902 206 A HA -0.058 4.263 4.320 0.001 0.000 0.217 206 A C 2.185 179.657 177.584 -0.188 0.000 1.181 206 A CA 1.581 53.578 52.037 -0.067 0.000 0.623 206 A CB -0.615 18.427 19.000 0.070 0.000 0.818 206 A HN 0.482 nan 8.150 nan 0.000 0.443 207 L N -1.017 120.016 121.223 -0.316 0.000 2.093 207 L HA -0.168 4.172 4.340 0.001 0.000 0.208 207 L C 2.577 179.162 176.870 -0.476 0.000 1.085 207 L CA 1.033 55.603 54.840 -0.450 0.000 0.755 207 L CB -0.381 41.334 42.059 -0.572 0.000 0.904 207 L HN 0.351 nan 8.230 nan 0.000 0.435 208 Q N -0.166 119.297 119.800 -0.562 0.000 2.398 208 Q HA 0.105 4.446 4.340 0.001 0.000 0.204 208 Q C 1.417 177.254 176.000 -0.271 0.000 0.932 208 Q CA 0.840 56.364 55.803 -0.466 0.000 0.916 208 Q CB 0.313 28.651 28.738 -0.666 0.000 1.024 208 Q HN 0.540 nan 8.270 nan 0.000 0.504 209 G N 2.266 110.935 108.800 -0.219 0.000 2.198 209 G HA2 -0.268 3.693 3.960 0.001 0.000 0.257 209 G HA3 -0.268 3.693 3.960 0.001 0.000 0.257 209 G C 0.318 175.160 174.900 -0.096 0.000 1.042 209 G CA 0.738 45.762 45.100 -0.126 0.000 0.791 209 G HN 0.443 nan 8.290 nan 0.000 0.502 210 T N -3.081 111.410 114.554 -0.105 0.000 2.922 210 T HA 0.705 5.055 4.350 0.001 0.000 0.281 210 T C 0.032 174.727 174.700 -0.008 0.000 1.005 210 T CA -0.215 61.857 62.100 -0.047 0.000 0.982 210 T CB 2.370 71.222 68.868 -0.028 0.000 1.158 210 T HN 0.420 nan 8.240 nan 0.000 0.566 211 E N 1.658 121.873 120.200 0.025 0.000 2.229 211 E HA 0.322 4.673 4.350 0.001 0.000 0.283 211 E C -2.343 174.303 176.600 0.076 0.000 1.030 211 E CA -2.296 54.127 56.400 0.040 0.000 0.836 211 E CB 0.414 30.135 29.700 0.036 0.000 1.068 211 E HN 0.330 nan 8.360 nan 0.000 0.401 212 P HA 0.049 nan 4.420 nan 0.000 0.268 212 P C -1.046 176.324 177.300 0.116 0.000 1.204 212 P CA 0.131 63.306 63.100 0.126 0.000 0.768 212 P CB 0.525 32.300 31.700 0.126 0.000 0.842 213 D N 2.784 123.258 120.400 0.123 0.000 2.420 213 D HA 0.205 4.846 4.640 0.001 0.000 0.255 213 D C 0.011 176.357 176.300 0.075 0.000 1.185 213 D CA -0.382 53.672 54.000 0.090 0.000 0.904 213 D CB 0.472 41.318 40.800 0.076 0.000 1.102 213 D HN -0.011 nan 8.370 nan 0.000 0.534 214 L N 2.663 123.936 121.223 0.082 0.000 2.592 214 L HA 0.109 4.449 4.340 0.001 0.000 0.227 214 L C 2.423 179.323 176.870 0.049 0.000 1.127 214 L CA 0.517 55.395 54.840 0.064 0.000 0.884 214 L CB -0.159 41.976 42.059 0.128 0.000 1.065 214 L HN 0.480 nan 8.230 nan 0.000 0.457 215 T N -4.383 110.201 114.554 0.050 0.000 2.995 215 T HA -0.063 4.288 4.350 0.001 0.000 0.269 215 T C 1.448 176.168 174.700 0.034 0.000 1.091 215 T CA 1.181 63.307 62.100 0.044 0.000 1.128 215 T CB -0.334 68.555 68.868 0.036 0.000 0.891 215 T HN 0.121 nan 8.240 nan 0.000 0.492 216 V N 0.809 120.745 119.914 0.036 0.000 3.541 216 V HA 0.255 4.376 4.120 0.001 0.000 0.267 216 V C 2.448 178.593 176.094 0.085 0.000 1.213 216 V CA 0.057 62.371 62.300 0.025 0.000 1.149 216 V CB -1.084 30.758 31.823 0.032 0.000 0.822 216 V HN 0.382 nan 8.190 nan 0.000 0.462 217 L N 1.713 122.981 121.223 0.075 0.000 1.978 217 L HA -0.161 4.179 4.340 0.001 0.000 0.218 217 L C 2.821 179.703 176.870 0.020 0.000 1.075 217 L CA 2.244 57.103 54.840 0.032 0.000 0.767 217 L CB -1.353 40.648 42.059 -0.097 0.000 0.890 217 L HN 0.465 nan 8.230 nan 0.000 0.434 218 G N -0.393 108.426 108.800 0.030 0.000 2.505 218 G HA2 -0.319 3.642 3.960 0.001 0.000 0.220 218 G HA3 -0.319 3.642 3.960 0.001 0.000 0.220 218 G C 1.142 176.140 174.900 0.163 0.000 1.145 218 G CA 1.273 46.462 45.100 0.147 0.000 0.761 218 G HN 0.349 nan 8.290 nan 0.000 0.571 219 D N 0.030 120.457 120.400 0.044 0.000 2.097 219 D HA -0.097 4.543 4.640 0.001 0.000 0.195 219 D C 2.147 178.386 176.300 -0.101 0.000 0.989 219 D CA 0.738 54.692 54.000 -0.078 0.000 0.827 219 D CB -0.420 40.239 40.800 -0.235 0.000 0.966 219 D HN 0.633 nan 8.370 nan 0.000 0.456 220 W N 0.847 122.129 121.300 -0.029 0.000 2.358 220 W HA -0.141 4.520 4.660 0.001 0.000 0.303 220 W C 2.467 178.951 176.519 -0.058 0.000 1.208 220 W CA 0.270 57.582 57.345 -0.055 0.000 1.274 220 W CB -0.447 28.953 29.460 -0.100 0.000 1.138 220 W HN -0.185 nan 8.180 nan 0.000 0.515 221 V N 0.768 120.739 119.914 0.096 0.000 2.332 221 V HA -0.322 3.798 4.120 0.001 0.000 0.248 221 V C 2.249 178.410 176.094 0.112 0.000 1.055 221 V CA 1.898 64.187 62.300 -0.019 0.000 1.038 221 V CB -0.811 30.766 31.823 -0.409 0.000 0.651 221 V HN 0.202 nan 8.190 nan 0.000 0.450 222 R N -0.183 120.427 120.500 0.184 0.000 2.081 222 R HA -0.174 4.167 4.340 0.001 0.000 0.235 222 R C 2.490 178.858 176.300 0.115 0.000 1.131 222 R CA 1.519 57.724 56.100 0.176 0.000 0.960 222 R CB -0.433 29.956 30.300 0.147 0.000 0.856 222 R HN 0.298 nan 8.270 nan 0.000 0.436 223 R N 1.220 121.784 120.500 0.107 0.000 2.105 223 R HA -0.114 4.227 4.340 0.001 0.000 0.239 223 R C 1.730 178.177 176.300 0.244 0.000 1.135 223 R CA 1.225 57.407 56.100 0.137 0.000 0.967 223 R CB -0.440 29.936 30.300 0.126 0.000 0.861 223 R HN 0.140 nan 8.270 nan 0.000 0.442 224 L N -0.128 121.259 121.223 0.273 0.000 2.591 224 L HA 0.322 4.662 4.340 0.001 0.000 0.228 224 L C 1.620 178.642 176.870 0.253 0.000 1.133 224 L CA 0.809 55.860 54.840 0.352 0.000 0.880 224 L CB -0.001 42.183 42.059 0.207 0.000 1.033 224 L HN 0.251 nan 8.230 nan 0.000 0.450 225 A N -0.718 122.185 122.820 0.139 0.000 1.972 225 A HA -0.223 4.098 4.320 0.001 0.000 0.219 225 A C 2.357 179.947 177.584 0.011 0.000 1.169 225 A CA 1.590 53.677 52.037 0.083 0.000 0.635 225 A CB -0.333 18.715 19.000 0.079 0.000 0.810 225 A HN 0.405 nan 8.150 nan 0.000 0.446 226 K N -1.092 119.237 120.400 -0.117 0.000 2.020 226 K HA -0.126 4.195 4.320 0.001 0.000 0.212 226 K C -0.024 176.373 176.600 -0.338 0.000 1.050 226 K CA 1.134 57.220 56.287 -0.336 0.000 0.929 226 K CB -0.248 31.817 32.500 -0.725 0.000 0.714 226 K HN 0.479 nan 8.250 nan 0.000 0.443 227 F N 0.473 120.459 119.950 0.059 0.000 2.390 227 F HA 0.048 4.575 4.527 0.001 0.000 0.307 227 F C 1.219 177.050 175.800 0.052 0.000 1.227 227 F CA -0.708 57.331 58.000 0.064 0.000 1.179 227 F CB 0.220 39.256 39.000 0.061 0.000 1.280 227 F HN -0.099 nan 8.300 nan 0.000 0.548 228 S N 1.887 117.755 115.700 0.280 0.000 2.550 228 S HA -0.009 4.462 4.470 0.001 0.000 0.285 228 S C -1.298 173.380 174.600 0.130 0.000 1.326 228 S CA -1.079 57.219 58.200 0.162 0.000 1.037 228 S CB 0.453 63.739 63.200 0.144 0.000 0.838 228 S HN 0.409 nan 8.310 nan 0.000 0.519 229 P HA -0.003 nan 4.420 nan 0.000 0.226 229 P C 0.555 177.895 177.300 0.067 0.000 1.153 229 P CA 0.762 63.909 63.100 0.079 0.000 0.777 229 P CB -0.010 31.733 31.700 0.072 0.000 0.794 230 D N -0.118 120.319 120.400 0.062 0.000 2.144 230 D HA -0.045 4.596 4.640 0.001 0.000 0.200 230 D C 0.662 176.976 176.300 0.022 0.000 0.978 230 D CA 0.810 54.838 54.000 0.047 0.000 0.833 230 D CB -0.610 40.220 40.800 0.049 0.000 0.961 230 D HN 0.102 nan 8.370 nan 0.000 0.470 231 S N 1.268 116.981 115.700 0.022 0.000 2.558 231 S HA 0.113 4.584 4.470 0.001 0.000 0.288 231 S C 0.455 175.036 174.600 -0.031 0.000 1.318 231 S CA 0.052 58.237 58.200 -0.025 0.000 1.056 231 S CB 0.707 63.902 63.200 -0.009 0.000 0.853 231 S HN 0.075 nan 8.310 nan 0.000 0.505 232 R N 1.154 121.606 120.500 -0.080 0.000 2.575 232 R HA 0.502 4.843 4.340 0.001 0.000 0.293 232 R C 0.482 176.700 176.300 -0.135 0.000 0.983 232 R CA -0.671 55.373 56.100 -0.093 0.000 0.887 232 R CB 1.260 31.499 30.300 -0.102 0.000 1.184 232 R HN 0.628 nan 8.270 nan 0.000 0.445 233 A N 2.388 125.127 122.820 -0.135 0.000 1.935 233 A HA 0.128 4.448 4.320 0.001 0.000 0.214 233 A C 0.649 178.092 177.584 -0.236 0.000 1.178 233 A CA 0.822 52.756 52.037 -0.172 0.000 0.640 233 A CB 0.477 19.399 19.000 -0.131 0.000 0.825 233 A HN 0.304 nan 8.150 nan 0.000 0.447 234 V N 0.594 120.374 119.914 -0.225 0.000 2.513 234 V HA 0.491 4.611 4.120 0.001 0.000 0.299 234 V C -0.532 175.422 176.094 -0.234 0.000 1.035 234 V CA -0.290 61.857 62.300 -0.256 0.000 0.889 234 V CB 1.670 33.321 31.823 -0.288 0.000 0.988 234 V HN 0.240 nan 8.190 nan 0.000 0.440 235 T N 5.616 120.048 114.554 -0.204 0.000 2.963 235 T HA 0.494 4.845 4.350 0.001 0.000 0.328 235 T C -0.180 174.436 174.700 -0.139 0.000 1.048 235 T CA -0.162 61.822 62.100 -0.194 0.000 1.033 235 T CB 0.419 69.192 68.868 -0.158 0.000 1.010 235 T HN 0.388 nan 8.240 nan 0.000 0.469 236 I N 3.149 123.592 120.570 -0.211 0.000 2.578 236 I HA 0.047 4.218 4.170 0.001 0.000 0.286 236 I C 0.566 176.673 176.117 -0.017 0.000 1.126 236 I CA -0.061 61.190 61.300 -0.082 0.000 1.380 236 I CB 0.270 38.136 38.000 -0.223 0.000 1.408 236 I HN 0.482 nan 8.210 nan 0.000 0.532 237 D N 6.646 127.061 120.400 0.025 0.000 2.422 237 D HA 0.232 4.873 4.640 0.001 0.000 0.227 237 D C 0.805 177.140 176.300 0.058 0.000 1.190 237 D CA -0.038 53.967 54.000 0.008 0.000 0.905 237 D CB 1.361 42.160 40.800 -0.002 0.000 1.034 237 D HN 0.645 nan 8.370 nan 0.000 0.507 238 A N 4.111 126.994 122.820 0.105 0.000 2.123 238 A HA -0.112 4.209 4.320 0.001 0.000 0.214 238 A C 1.933 179.611 177.584 0.158 0.000 1.152 238 A CA 0.280 52.450 52.037 0.221 0.000 0.728 238 A CB -0.334 18.779 19.000 0.189 0.000 0.814 238 A HN 0.680 nan 8.150 nan 0.000 0.464 239 N N 0.394 119.112 118.700 0.030 0.000 2.289 239 N HA -0.142 4.599 4.740 0.001 0.000 0.184 239 N C 1.634 177.118 175.510 -0.044 0.000 1.016 239 N CA 1.254 54.292 53.050 -0.019 0.000 0.872 239 N CB -0.177 38.249 38.487 -0.101 0.000 0.973 239 N HN 0.536 nan 8.380 nan 0.000 0.433 240 I N 0.422 120.952 120.570 -0.067 0.000 2.151 240 I HA -0.325 3.846 4.170 0.001 0.000 0.243 240 I C 1.667 177.722 176.117 -0.103 0.000 1.080 240 I CA 1.493 62.767 61.300 -0.045 0.000 1.339 240 I CB -0.418 37.474 38.000 -0.179 0.000 1.039 240 I HN 0.195 nan 8.210 nan 0.000 0.409 241 Y N -1.030 119.408 120.300 0.230 0.000 2.242 241 Y HA -0.287 4.264 4.550 0.001 0.000 0.291 241 Y C 2.697 178.690 175.900 0.155 0.000 1.137 241 Y CA 1.595 59.857 58.100 0.270 0.000 1.181 241 Y CB -0.748 37.976 38.460 0.439 0.000 0.989 241 Y HN 0.232 nan 8.280 nan 0.000 0.527 242 H N 0.673 119.805 119.070 0.104 0.000 2.293 242 H HA -0.149 4.408 4.556 0.001 0.000 0.300 242 H C 1.801 177.089 175.328 -0.066 0.000 1.082 242 H CA 2.088 58.136 56.048 0.001 0.000 1.308 242 H CB -0.280 29.446 29.762 -0.059 0.000 1.375 242 H HN 0.121 nan 8.280 nan 0.000 0.495 243 N N 0.212 118.773 118.700 -0.231 0.000 2.272 243 N HA -0.102 4.639 4.740 0.001 0.000 0.185 243 N C 1.562 176.894 175.510 -0.295 0.000 1.014 243 N CA 1.159 53.903 53.050 -0.510 0.000 0.870 243 N CB -0.419 37.139 38.487 -1.548 0.000 0.975 243 N HN 0.552 nan 8.380 nan 0.000 0.433 244 A N -0.723 122.086 122.820 -0.019 0.000 2.218 244 A HA 0.463 4.783 4.320 0.001 0.000 0.209 244 A C 1.491 179.166 177.584 0.153 0.000 1.168 244 A CA 0.900 53.069 52.037 0.221 0.000 0.804 244 A CB 0.041 19.252 19.000 0.352 0.000 0.834 244 A HN 0.322 nan 8.150 nan 0.000 0.482 245 G N -2.381 106.442 108.800 0.038 0.000 2.227 245 G HA2 0.224 4.185 3.960 0.001 0.000 0.168 245 G HA3 0.224 4.185 3.960 0.001 0.000 0.168 245 G C 0.374 175.271 174.900 -0.005 0.000 1.006 245 G CA 0.014 45.116 45.100 0.003 0.000 0.684 245 G HN 1.336 nan 8.290 nan 0.000 0.489 246 A N 0.378 123.219 122.820 0.036 0.000 2.386 246 A HA 0.771 5.091 4.320 0.001 0.000 0.248 246 A C 1.262 178.836 177.584 -0.018 0.000 1.082 246 A CA 1.083 53.120 52.037 0.001 0.000 0.789 246 A CB 0.389 19.390 19.000 0.001 0.000 1.025 246 A HN 1.593 nan 8.150 nan 0.000 0.490 247 G N -0.601 108.176 108.800 -0.038 0.000 2.509 247 G HA2 0.346 4.307 3.960 0.001 0.000 0.269 247 G HA3 0.346 4.307 3.960 0.001 0.000 0.269 247 G C 0.252 175.150 174.900 -0.004 0.000 1.416 247 G CA 0.171 45.270 45.100 -0.001 0.000 1.052 247 G HN 0.656 nan 8.290 nan 0.000 0.542 248 D N -1.044 119.352 120.400 -0.006 0.000 2.117 248 D HA -0.116 4.524 4.640 0.001 0.000 0.198 248 D C 2.777 179.029 176.300 -0.080 0.000 0.982 248 D CA 0.918 54.900 54.000 -0.029 0.000 0.828 248 D CB -0.152 40.641 40.800 -0.012 0.000 0.967 248 D HN 0.064 nan 8.370 nan 0.000 0.464 249 V N 1.928 121.787 119.914 -0.092 0.000 2.261 249 V HA -0.235 3.886 4.120 0.001 0.000 0.246 249 V C 2.637 178.569 176.094 -0.270 0.000 1.047 249 V CA 1.982 64.207 62.300 -0.125 0.000 1.015 249 V CB -0.831 30.944 31.823 -0.081 0.000 0.642 249 V HN 0.168 nan 8.190 nan 0.000 0.446 250 A N -0.434 122.133 122.820 -0.421 0.000 1.930 250 A HA -0.232 4.089 4.320 0.001 0.000 0.217 250 A C 2.291 179.364 177.584 -0.852 0.000 1.175 250 A CA 1.764 53.237 52.037 -0.941 0.000 0.627 250 A CB -0.475 17.780 19.000 -1.242 0.000 0.815 250 A HN 0.658 nan 8.150 nan 0.000 0.443 251 E N -0.447 119.546 120.200 -0.345 0.000 2.077 251 E HA -0.202 4.149 4.350 0.001 0.000 0.193 251 E C 1.892 178.441 176.600 -0.084 0.000 0.989 251 E CA 1.410 57.758 56.400 -0.085 0.000 0.800 251 E CB -0.209 29.507 29.700 0.026 0.000 0.746 251 E HN 0.431 nan 8.360 nan 0.000 0.452 252 L N 0.994 122.135 121.223 -0.137 0.000 2.027 252 L HA -0.028 4.312 4.340 0.001 0.000 0.206 252 L C 2.330 179.128 176.870 -0.119 0.000 1.074 252 L CA 2.286 57.052 54.840 -0.123 0.000 0.745 252 L CB -0.951 41.045 42.059 -0.104 0.000 0.898 252 L HN 0.186 nan 8.230 nan 0.000 0.433 253 A N -0.832 121.898 122.820 -0.151 0.000 1.883 253 A HA -0.220 4.101 4.320 0.001 0.000 0.217 253 A C 1.987 179.602 177.584 0.052 0.000 1.186 253 A CA 1.953 53.940 52.037 -0.083 0.000 0.624 253 A CB -1.210 17.693 19.000 -0.162 0.000 0.822 253 A HN 0.703 nan 8.150 nan 0.000 0.444 254 W N -0.561 120.694 121.300 -0.074 0.000 2.519 254 W HA 0.216 4.877 4.660 0.001 0.000 0.266 254 W C 2.599 179.083 176.519 -0.058 0.000 1.253 254 W CA 0.104 57.374 57.345 -0.126 0.000 1.274 254 W CB -1.273 27.965 29.460 -0.370 0.000 1.114 254 W HN 0.461 nan 8.180 nan 0.000 0.596 255 A N 0.786 123.689 122.820 0.138 0.000 1.855 255 A HA -0.130 4.191 4.320 0.001 0.000 0.215 255 A C 2.159 179.783 177.584 0.068 0.000 1.191 255 A CA 1.510 53.624 52.037 0.129 0.000 0.613 255 A CB -1.004 18.005 19.000 0.013 0.000 0.829 255 A HN 0.176 nan 8.150 nan 0.000 0.442 256 L N -0.588 120.573 121.223 -0.103 0.000 1.989 256 L HA -0.232 4.109 4.340 0.001 0.000 0.211 256 L C 3.122 179.796 176.870 -0.327 0.000 1.071 256 L CA 1.292 55.964 54.840 -0.280 0.000 0.749 256 L CB -0.724 40.965 42.059 -0.616 0.000 0.890 256 L HN 0.437 nan 8.230 nan 0.000 0.431 257 A N -0.426 122.315 122.820 -0.132 0.000 1.908 257 A HA -0.214 4.107 4.320 0.001 0.000 0.218 257 A C 2.371 180.012 177.584 0.095 0.000 1.181 257 A CA 2.488 54.659 52.037 0.222 0.000 0.627 257 A CB -0.951 18.244 19.000 0.325 0.000 0.818 257 A HN 0.428 nan 8.150 nan 0.000 0.445 258 T N -0.509 114.024 114.554 -0.034 0.000 2.812 258 T HA 0.030 4.380 4.350 0.001 0.000 0.264 258 T C 1.978 176.415 174.700 -0.438 0.000 1.042 258 T CA 1.253 63.179 62.100 -0.289 0.000 1.140 258 T CB -0.561 68.166 68.868 -0.235 0.000 0.870 258 T HN 0.580 nan 8.240 nan 0.000 0.445 259 G N 1.339 110.069 108.800 -0.117 0.000 2.421 259 G HA2 -0.082 3.879 3.960 0.001 0.000 0.216 259 G HA3 -0.082 3.879 3.960 0.001 0.000 0.216 259 G C 1.861 176.969 174.900 0.347 0.000 1.171 259 G CA 0.935 46.117 45.100 0.137 0.000 0.775 259 G HN 0.559 nan 8.290 nan 0.000 0.543 260 A N 0.795 123.849 122.820 0.390 0.000 1.883 260 A HA -0.078 4.243 4.320 0.001 0.000 0.217 260 A C 2.227 180.002 177.584 0.319 0.000 1.186 260 A CA 2.020 54.340 52.037 0.473 0.000 0.624 260 A CB -0.385 18.973 19.000 0.598 0.000 0.822 260 A HN 0.356 nan 8.150 nan 0.000 0.444 261 E N -0.868 119.431 120.200 0.165 0.000 2.110 261 E HA -0.187 4.163 4.350 0.001 0.000 0.193 261 E C 1.845 178.575 176.600 0.216 0.000 0.988 261 E CA 1.303 57.781 56.400 0.130 0.000 0.804 261 E CB -0.392 29.318 29.700 0.017 0.000 0.745 261 E HN 0.793 nan 8.360 nan 0.000 0.458 262 Y N 0.287 120.647 120.300 0.100 0.000 2.314 262 Y HA -0.080 4.470 4.550 0.001 0.000 0.293 262 Y C 2.467 178.376 175.900 0.016 0.000 1.129 262 Y CA -0.022 58.104 58.100 0.043 0.000 1.201 262 Y CB -0.869 37.589 38.460 -0.004 0.000 0.999 262 Y HN -0.156 nan 8.280 nan 0.000 0.541 263 V N -0.127 119.880 119.914 0.155 0.000 2.323 263 V HA -0.224 3.897 4.120 0.001 0.000 0.244 263 V C 2.415 178.462 176.094 -0.079 0.000 1.041 263 V CA 1.539 63.787 62.300 -0.086 0.000 1.025 263 V CB -0.500 31.061 31.823 -0.437 0.000 0.656 263 V HN 0.220 nan 8.190 nan 0.000 0.451 264 R N 0.208 120.751 120.500 0.072 0.000 2.080 264 R HA -0.187 4.154 4.340 0.001 0.000 0.236 264 R C 2.454 178.842 176.300 0.147 0.000 1.137 264 R CA 1.741 57.952 56.100 0.184 0.000 0.943 264 R CB -0.701 29.756 30.300 0.261 0.000 0.846 264 R HN 0.529 nan 8.270 nan 0.000 0.431 265 A N 0.919 123.831 122.820 0.153 0.000 1.933 265 A HA -0.144 4.177 4.320 0.001 0.000 0.218 265 A C 2.180 179.839 177.584 0.126 0.000 1.175 265 A CA 1.221 53.342 52.037 0.139 0.000 0.628 265 A CB -0.507 18.585 19.000 0.153 0.000 0.814 265 A HN 0.208 nan 8.150 nan 0.000 0.444 266 L N -0.666 120.620 121.223 0.105 0.000 2.056 266 L HA -0.144 4.196 4.340 0.001 0.000 0.207 266 L C 2.558 179.566 176.870 0.230 0.000 1.078 266 L CA 1.011 55.921 54.840 0.117 0.000 0.749 266 L CB -0.493 41.550 42.059 -0.026 0.000 0.901 266 L HN 0.259 nan 8.230 nan 0.000 0.433 267 V N -0.083 119.921 119.914 0.150 0.000 2.255 267 V HA -0.309 3.812 4.120 0.001 0.000 0.247 267 V C 2.321 178.496 176.094 0.136 0.000 1.051 267 V CA 1.969 64.355 62.300 0.143 0.000 1.018 267 V CB -0.600 31.290 31.823 0.112 0.000 0.641 267 V HN 0.458 nan 8.190 nan 0.000 0.445 268 E N -0.062 120.214 120.200 0.126 0.000 2.130 268 E HA -0.284 4.066 4.350 0.001 0.000 0.196 268 E C 2.004 178.661 176.600 0.096 0.000 0.998 268 E CA 1.413 57.874 56.400 0.102 0.000 0.806 268 E CB -0.186 29.573 29.700 0.098 0.000 0.738 268 E HN 0.686 nan 8.360 nan 0.000 0.459 269 Q N -0.692 119.189 119.800 0.135 0.000 2.282 269 Q HA 0.113 4.454 4.340 0.001 0.000 0.205 269 Q C 0.615 176.659 176.000 0.073 0.000 0.915 269 Q CA 0.337 56.227 55.803 0.145 0.000 0.949 269 Q CB 0.804 29.685 28.738 0.238 0.000 1.035 269 Q HN 0.391 nan 8.270 nan 0.000 0.484 270 G N 0.432 109.233 108.800 0.002 0.000 2.136 270 G HA2 -0.265 3.696 3.960 0.001 0.000 0.242 270 G HA3 -0.265 3.696 3.960 0.001 0.000 0.242 270 G C -0.269 174.463 174.900 -0.279 0.000 0.989 270 G CA -0.278 44.726 45.100 -0.159 0.000 0.682 270 G HN 0.277 nan 8.290 nan 0.000 0.522 271 F N 0.992 120.952 119.950 0.017 0.000 2.440 271 F HA 0.682 5.210 4.527 0.001 0.000 0.328 271 F C 1.392 177.200 175.800 0.013 0.000 1.070 271 F CA -0.027 57.983 58.000 0.016 0.000 1.011 271 F CB 1.214 40.226 39.000 0.020 0.000 1.226 271 F HN 0.181 nan 8.300 nan 0.000 0.491 272 T N -1.318 113.357 114.554 0.200 0.000 2.732 272 T HA 0.436 4.787 4.350 0.001 0.000 0.287 272 T C 1.060 175.812 174.700 0.086 0.000 0.993 272 T CA -0.181 61.983 62.100 0.107 0.000 0.966 272 T CB 1.008 69.920 68.868 0.073 0.000 1.047 272 T HN 0.669 nan 8.240 nan 0.000 0.527 273 A N 0.368 123.197 122.820 0.015 0.000 1.929 273 A HA 0.057 4.378 4.320 0.001 0.000 0.216 273 A C 2.486 180.021 177.584 -0.082 0.000 1.176 273 A CA 1.667 53.648 52.037 -0.093 0.000 0.628 273 A CB -1.665 17.252 19.000 -0.140 0.000 0.816 273 A HN 0.908 nan 8.150 nan 0.000 0.444 274 T N 0.426 114.946 114.554 -0.057 0.000 2.720 274 T HA -0.177 4.174 4.350 0.001 0.000 0.268 274 T C 1.689 176.441 174.700 0.087 0.000 1.037 274 T CA 1.834 63.924 62.100 -0.016 0.000 1.144 274 T CB -0.303 68.562 68.868 -0.005 0.000 0.864 274 T HN 0.681 nan 8.240 nan 0.000 0.444 275 E N 0.963 121.225 120.200 0.103 0.000 2.150 275 E HA -0.011 4.340 4.350 0.001 0.000 0.193 275 E C 2.522 179.160 176.600 0.063 0.000 0.985 275 E CA 0.845 57.314 56.400 0.116 0.000 0.814 275 E CB -0.204 29.620 29.700 0.208 0.000 0.752 275 E HN 0.502 nan 8.360 nan 0.000 0.466 276 A N 0.886 123.750 122.820 0.073 0.000 1.855 276 A HA -0.156 4.165 4.320 0.001 0.000 0.215 276 A C 1.863 179.553 177.584 0.178 0.000 1.191 276 A CA 1.015 53.086 52.037 0.056 0.000 0.613 276 A CB -0.695 18.337 19.000 0.052 0.000 0.829 276 A HN 0.152 nan 8.150 nan 0.000 0.442 277 F N 0.914 120.869 119.950 0.008 0.000 2.126 277 F HA -0.163 4.365 4.527 0.001 0.000 0.299 277 F C 1.762 177.624 175.800 0.103 0.000 1.096 277 F CA 1.829 59.896 58.000 0.111 0.000 1.255 277 F CB -0.524 38.497 39.000 0.034 0.000 0.997 277 F HN 0.227 nan 8.300 nan 0.000 0.479 278 D N -1.659 118.873 120.400 0.220 0.000 2.378 278 D HA -0.081 4.560 4.640 0.001 0.000 0.222 278 D C 2.042 178.372 176.300 0.050 0.000 0.980 278 D CA 1.001 55.076 54.000 0.124 0.000 0.907 278 D CB -0.234 40.630 40.800 0.107 0.000 0.899 278 D HN 0.174 nan 8.370 nan 0.000 0.527 279 T N -0.886 113.670 114.554 0.004 0.000 3.044 279 T HA 0.265 4.616 4.350 0.001 0.000 0.260 279 T C 0.508 175.143 174.700 -0.108 0.000 1.019 279 T CA -0.223 61.841 62.100 -0.060 0.000 0.921 279 T CB 0.350 69.154 68.868 -0.107 0.000 1.053 279 T HN -0.063 nan 8.240 nan 0.000 0.533 280 I N 2.815 123.318 120.570 -0.113 0.000 2.321 280 I HA 0.427 4.598 4.170 0.001 0.000 0.291 280 I C -0.470 175.451 176.117 -0.327 0.000 0.998 280 I CA -0.804 60.353 61.300 -0.238 0.000 1.227 280 I CB 1.355 39.202 38.000 -0.255 0.000 1.368 280 I HN 0.002 nan 8.210 nan 0.000 0.466 281 N N 5.125 123.602 118.700 -0.373 0.000 2.402 281 N HA 0.597 5.337 4.740 0.001 0.000 0.294 281 N C -1.297 173.910 175.510 -0.506 0.000 1.203 281 N CA -0.463 52.401 53.050 -0.310 0.000 0.838 281 N CB 1.529 39.920 38.487 -0.160 0.000 1.306 281 N HN 0.195 nan 8.380 nan 0.000 0.510 282 F N 0.041 119.845 119.950 -0.242 0.000 2.493 282 F HA 0.431 4.959 4.527 0.001 0.000 0.329 282 F C 0.621 176.310 175.800 -0.186 0.000 1.126 282 F CA -0.890 56.964 58.000 -0.243 0.000 0.937 282 F CB 1.525 40.330 39.000 -0.323 0.000 1.146 282 F HN 0.146 nan 8.300 nan 0.000 0.442 283 R N 3.851 124.344 120.500 -0.012 0.000 2.229 283 R HA 0.719 5.060 4.340 0.001 0.000 0.332 283 R C -1.521 174.747 176.300 -0.052 0.000 0.989 283 R CA -0.500 55.554 56.100 -0.077 0.000 0.842 283 R CB 0.817 31.026 30.300 -0.153 0.000 1.119 283 R HN 0.594 nan 8.270 nan 0.000 0.456 284 V N 0.606 120.472 119.914 -0.081 0.000 2.864 284 V HA 0.588 4.709 4.120 0.001 0.000 0.314 284 V C -0.204 175.797 176.094 -0.155 0.000 1.073 284 V CA -0.901 61.339 62.300 -0.101 0.000 0.956 284 V CB 1.958 33.711 31.823 -0.117 0.000 1.023 284 V HN 0.701 nan 8.190 nan 0.000 0.435 285 T N 2.778 117.210 114.554 -0.204 0.000 2.869 285 T HA 0.661 5.011 4.350 0.001 0.000 0.295 285 T C 0.187 174.722 174.700 -0.275 0.000 0.987 285 T CA 0.378 62.294 62.100 -0.307 0.000 1.109 285 T CB 1.195 69.695 68.868 -0.613 0.000 0.932 285 T HN 1.411 nan 8.240 nan 0.000 0.518 286 A N 3.041 125.714 122.820 -0.245 0.000 2.273 286 A HA 0.665 4.985 4.320 0.001 0.000 0.315 286 A C 0.702 178.168 177.584 -0.196 0.000 1.256 286 A CA -0.791 51.132 52.037 -0.191 0.000 0.851 286 A CB 0.400 19.305 19.000 -0.159 0.000 1.172 286 A HN 0.897 nan 8.150 nan 0.000 0.508 287 T N -0.762 113.688 114.554 -0.173 0.000 2.876 287 T HA 0.365 4.716 4.350 0.001 0.000 0.277 287 T C 1.165 175.840 174.700 -0.042 0.000 0.997 287 T CA 0.281 62.284 62.100 -0.162 0.000 0.966 287 T CB 0.325 69.091 68.868 -0.168 0.000 1.312 287 T HN 0.788 nan 8.240 nan 0.000 0.598 288 H N -1.509 117.550 119.070 -0.018 0.000 2.529 288 H HA 0.137 4.694 4.556 0.001 0.000 0.277 288 H C 0.286 175.603 175.328 -0.018 0.000 0.999 288 H CA -0.062 55.974 56.048 -0.020 0.000 1.256 288 H CB 0.055 29.812 29.762 -0.007 0.000 1.402 288 H HN 0.503 nan 8.280 nan 0.000 0.566 289 D N 2.108 122.690 120.400 0.303 0.000 2.383 289 D HA -0.060 4.581 4.640 0.001 0.000 0.245 289 D C 1.080 177.417 176.300 0.062 0.000 1.263 289 D CA 0.075 54.185 54.000 0.183 0.000 0.936 289 D CB 1.062 41.977 40.800 0.192 0.000 1.053 289 D HN 0.518 nan 8.370 nan 0.000 0.507 290 Q N 3.058 122.852 119.800 -0.010 0.000 1.985 290 Q HA -0.239 4.101 4.340 0.001 0.000 0.207 290 Q C 1.288 177.156 176.000 -0.220 0.000 0.996 290 Q CA 1.857 57.558 55.803 -0.170 0.000 0.851 290 Q CB -0.021 28.486 28.738 -0.384 0.000 0.921 290 Q HN 0.560 nan 8.270 nan 0.000 0.418 291 F N 0.094 120.049 119.950 0.008 0.000 2.259 291 F HA -0.085 4.443 4.527 0.001 0.000 0.298 291 F C 2.062 177.776 175.800 -0.144 0.000 1.088 291 F CA 0.490 58.423 58.000 -0.112 0.000 1.358 291 F CB -0.003 38.882 39.000 -0.192 0.000 1.040 291 F HN 0.102 nan 8.300 nan 0.000 0.505 292 L N -0.758 120.514 121.223 0.081 0.000 2.072 292 L HA -0.171 4.170 4.340 0.001 0.000 0.205 292 L C 2.418 179.273 176.870 -0.025 0.000 1.079 292 L CA 1.339 56.196 54.840 0.028 0.000 0.752 292 L CB -0.932 41.162 42.059 0.058 0.000 0.906 292 L HN 0.088 nan 8.230 nan 0.000 0.436 293 T N 0.273 114.802 114.554 -0.043 0.000 2.674 293 T HA -0.173 4.178 4.350 0.001 0.000 0.265 293 T C 1.897 176.532 174.700 -0.107 0.000 1.039 293 T CA 1.543 63.590 62.100 -0.088 0.000 1.150 293 T CB -0.244 68.563 68.868 -0.101 0.000 0.864 293 T HN 0.150 nan 8.240 nan 0.000 0.427 294 I N 1.485 121.987 120.570 -0.114 0.000 2.091 294 I HA -0.270 3.901 4.170 0.001 0.000 0.239 294 I C 2.959 179.015 176.117 -0.103 0.000 1.061 294 I CA 1.490 62.716 61.300 -0.122 0.000 1.317 294 I CB -0.613 37.318 38.000 -0.117 0.000 1.031 294 I HN 0.205 nan 8.210 nan 0.000 0.401 295 A N 0.543 123.307 122.820 -0.093 0.000 1.908 295 A HA -0.279 4.042 4.320 0.001 0.000 0.218 295 A C 2.430 179.966 177.584 -0.081 0.000 1.181 295 A CA 2.152 54.132 52.037 -0.096 0.000 0.627 295 A CB -0.734 18.198 19.000 -0.113 0.000 0.818 295 A HN 0.411 nan 8.150 nan 0.000 0.445 296 R N -0.310 120.142 120.500 -0.081 0.000 2.075 296 R HA -0.017 4.324 4.340 0.001 0.000 0.232 296 R C 1.927 178.162 176.300 -0.109 0.000 1.126 296 R CA 1.348 57.396 56.100 -0.086 0.000 0.963 296 R CB -0.339 29.909 30.300 -0.087 0.000 0.858 296 R HN 0.525 nan 8.270 nan 0.000 0.435 297 L N -0.024 121.127 121.223 -0.119 0.000 2.093 297 L HA -0.117 4.223 4.340 0.001 0.000 0.208 297 L C 2.579 179.385 176.870 -0.107 0.000 1.085 297 L CA 1.439 56.199 54.840 -0.133 0.000 0.755 297 L CB -0.499 41.476 42.059 -0.139 0.000 0.904 297 L HN 0.249 nan 8.230 nan 0.000 0.435 298 R N 0.168 120.618 120.500 -0.083 0.000 2.073 298 R HA -0.053 4.287 4.340 0.001 0.000 0.229 298 R C 2.495 178.775 176.300 -0.034 0.000 1.120 298 R CA 1.230 57.300 56.100 -0.051 0.000 0.967 298 R CB -0.404 29.864 30.300 -0.054 0.000 0.862 298 R HN 0.304 nan 8.270 nan 0.000 0.436 299 A N 1.369 124.162 122.820 -0.045 0.000 1.933 299 A HA -0.149 4.172 4.320 0.001 0.000 0.218 299 A C 2.147 179.714 177.584 -0.028 0.000 1.175 299 A CA 0.984 53.006 52.037 -0.024 0.000 0.628 299 A CB -0.536 18.452 19.000 -0.021 0.000 0.814 299 A HN 0.280 nan 8.150 nan 0.000 0.444 300 L N -0.453 120.712 121.223 -0.097 0.000 2.013 300 L HA -0.246 4.094 4.340 0.001 0.000 0.212 300 L C 2.785 179.589 176.870 -0.110 0.000 1.073 300 L CA 1.902 56.629 54.840 -0.190 0.000 0.753 300 L CB -0.272 41.563 42.059 -0.373 0.000 0.890 300 L HN 0.360 nan 8.230 nan 0.000 0.432 301 R N -0.639 119.831 120.500 -0.050 0.000 2.081 301 R HA -0.226 4.115 4.340 0.001 0.000 0.235 301 R C 2.215 178.612 176.300 0.161 0.000 1.131 301 R CA 1.726 57.872 56.100 0.077 0.000 0.960 301 R CB -0.452 29.919 30.300 0.118 0.000 0.856 301 R HN 0.523 nan 8.270 nan 0.000 0.436 302 E N 0.809 121.080 120.200 0.119 0.000 2.058 302 E HA -0.214 4.137 4.350 0.001 0.000 0.194 302 E C 1.962 178.639 176.600 0.129 0.000 0.997 302 E CA 1.398 57.866 56.400 0.114 0.000 0.801 302 E CB -0.050 29.680 29.700 0.051 0.000 0.746 302 E HN 0.361 nan 8.360 nan 0.000 0.450 303 A N 1.334 124.249 122.820 0.159 0.000 1.873 303 A HA -0.183 4.138 4.320 0.001 0.000 0.215 303 A C 2.109 179.939 177.584 0.410 0.000 1.186 303 A CA 1.188 53.399 52.037 0.291 0.000 0.616 303 A CB -1.346 17.903 19.000 0.415 0.000 0.823 303 A HN 0.728 nan 8.150 nan 0.000 0.442 304 W N 0.670 122.026 121.300 0.094 0.000 2.338 304 W HA -0.229 4.431 4.660 0.001 0.000 0.304 304 W C 2.415 179.081 176.519 0.244 0.000 1.212 304 W CA 1.743 59.159 57.345 0.118 0.000 1.264 304 W CB -0.132 29.293 29.460 -0.059 0.000 1.142 304 W HN 0.449 nan 8.180 nan 0.000 0.512 305 A N 0.840 123.815 122.820 0.258 0.000 1.917 305 A HA -0.298 4.022 4.320 0.001 0.000 0.219 305 A C 1.828 179.492 177.584 0.134 0.000 1.182 305 A CA 2.339 54.476 52.037 0.166 0.000 0.633 305 A CB -0.984 18.196 19.000 0.300 0.000 0.819 305 A HN 0.299 nan 8.150 nan 0.000 0.448 306 R N 0.207 120.794 120.500 0.144 0.000 2.081 306 R HA -0.034 4.306 4.340 0.001 0.000 0.235 306 R C 1.779 178.195 176.300 0.195 0.000 1.131 306 R CA 1.797 57.967 56.100 0.116 0.000 0.960 306 R CB -0.755 29.550 30.300 0.008 0.000 0.856 306 R HN 0.593 nan 8.270 nan 0.000 0.436 307 I N -0.439 120.305 120.570 0.291 0.000 2.179 307 I HA -0.176 3.994 4.170 0.001 0.000 0.242 307 I C 2.285 178.501 176.117 0.164 0.000 1.088 307 I CA 1.602 63.077 61.300 0.291 0.000 1.357 307 I CB -0.780 37.400 38.000 0.299 0.000 1.051 307 I HN 0.429 nan 8.210 nan 0.000 0.409 308 G N 0.178 108.948 108.800 -0.050 0.000 2.446 308 G HA2 -0.301 3.660 3.960 0.001 0.000 0.217 308 G HA3 -0.301 3.660 3.960 0.001 0.000 0.217 308 G C 1.528 176.307 174.900 -0.202 0.000 1.168 308 G CA 0.921 45.725 45.100 -0.494 0.000 0.771 308 G HN 0.446 nan 8.290 nan 0.000 0.551 309 E N -0.130 120.030 120.200 -0.066 0.000 2.038 309 E HA -0.144 4.206 4.350 0.001 0.000 0.195 309 E C 2.691 179.277 176.600 -0.024 0.000 1.000 309 E CA 1.472 57.858 56.400 -0.024 0.000 0.803 309 E CB -0.165 29.544 29.700 0.015 0.000 0.750 309 E HN 0.232 nan 8.360 nan 0.000 0.448 310 V N 0.301 120.202 119.914 -0.021 0.000 2.332 310 V HA -0.241 3.879 4.120 0.001 0.000 0.248 310 V C 2.001 178.008 176.094 -0.144 0.000 1.055 310 V CA 1.792 64.042 62.300 -0.083 0.000 1.038 310 V CB -0.541 31.224 31.823 -0.097 0.000 0.651 310 V HN 0.316 nan 8.190 nan 0.000 0.450 311 F N 0.297 120.206 119.950 -0.067 0.000 2.748 311 F HA 0.279 4.807 4.527 0.001 0.000 0.299 311 F C 1.857 177.587 175.800 -0.118 0.000 1.154 311 F CA 0.770 58.716 58.000 -0.089 0.000 1.446 311 F CB -0.005 38.902 39.000 -0.154 0.000 1.112 311 F HN 0.332 nan 8.300 nan 0.000 0.584 312 G N 0.721 109.538 108.800 0.029 0.000 2.137 312 G HA2 -0.256 3.705 3.960 0.001 0.000 0.237 312 G HA3 -0.256 3.705 3.960 0.001 0.000 0.237 312 G C 0.088 174.943 174.900 -0.075 0.000 1.002 312 G CA -0.009 45.084 45.100 -0.012 0.000 0.702 312 G HN 0.109 nan 8.290 nan 0.000 0.515 313 V N 1.041 120.838 119.914 -0.196 0.000 2.843 313 V HA 0.198 4.318 4.120 0.001 0.000 0.305 313 V C 0.885 176.890 176.094 -0.149 0.000 1.065 313 V CA -0.333 61.791 62.300 -0.293 0.000 1.116 313 V CB 0.716 32.096 31.823 -0.738 0.000 0.968 313 V HN 0.359 nan 8.190 nan 0.000 0.487 314 D N 3.129 123.478 120.400 -0.085 0.000 2.525 314 D HA -0.037 4.603 4.640 0.001 0.000 0.235 314 D C 1.415 177.719 176.300 0.006 0.000 1.137 314 D CA 0.412 54.401 54.000 -0.017 0.000 0.868 314 D CB 0.601 41.411 40.800 0.016 0.000 1.180 314 D HN 0.839 nan 8.370 nan 0.000 0.465 315 E N 1.893 122.119 120.200 0.042 0.000 2.130 315 E HA -0.290 4.061 4.350 0.001 0.000 0.196 315 E C 0.856 177.584 176.600 0.213 0.000 0.998 315 E CA 1.395 57.858 56.400 0.106 0.000 0.806 315 E CB -0.070 29.685 29.700 0.091 0.000 0.738 315 E HN 0.504 nan 8.360 nan 0.000 0.459 316 D N 1.000 121.518 120.400 0.197 0.000 2.317 316 D HA -0.115 4.526 4.640 0.001 0.000 0.211 316 D C 1.197 177.672 176.300 0.293 0.000 0.966 316 D CA 0.691 54.857 54.000 0.277 0.000 0.876 316 D CB -0.062 40.836 40.800 0.163 0.000 0.927 316 D HN 0.207 nan 8.370 nan 0.000 0.519 317 K N -0.195 120.303 120.400 0.163 0.000 2.372 317 K HA 0.253 4.574 4.320 0.001 0.000 0.200 317 K C 1.645 178.276 176.600 0.053 0.000 1.022 317 K CA -0.193 56.161 56.287 0.111 0.000 1.125 317 K CB 0.518 33.073 32.500 0.091 0.000 0.855 317 K HN -0.031 nan 8.250 nan 0.000 0.524 318 R N 0.239 120.670 120.500 -0.115 0.000 2.299 318 R HA 0.051 4.392 4.340 0.001 0.000 0.197 318 R C 0.732 176.731 176.300 -0.503 0.000 0.971 318 R CA 0.186 56.156 56.100 -0.218 0.000 1.030 318 R CB 0.246 30.451 30.300 -0.158 0.000 0.932 318 R HN 0.043 nan 8.270 nan 0.000 0.477 319 G N 0.879 109.064 108.800 -1.025 0.000 2.364 319 G HA2 0.395 4.356 3.960 0.001 0.000 0.267 319 G HA3 0.395 4.356 3.960 0.001 0.000 0.267 319 G C -0.254 174.669 174.900 0.038 0.000 1.233 319 G CA -0.449 44.218 45.100 -0.721 0.000 0.885 319 G HN 0.226 nan 8.290 nan 0.000 0.490 320 A N 3.582 126.507 122.820 0.175 0.000 2.425 320 A HA 0.539 4.860 4.320 0.001 0.000 0.249 320 A C 0.696 178.307 177.584 0.045 0.000 1.084 320 A CA -0.198 51.889 52.037 0.083 0.000 0.781 320 A CB 0.387 19.210 19.000 -0.296 0.000 1.019 320 A HN 0.716 nan 8.150 nan 0.000 0.490 321 R N 1.743 122.291 120.500 0.080 0.000 2.310 321 R HA 0.358 4.699 4.340 0.001 0.000 0.324 321 R C -0.953 175.379 176.300 0.053 0.000 0.955 321 R CA -0.140 55.994 56.100 0.056 0.000 0.830 321 R CB 1.392 31.721 30.300 0.048 0.000 1.154 321 R HN 0.831 nan 8.270 nan 0.000 0.458 322 Q N 1.945 121.747 119.800 0.004 0.000 2.331 322 Q HA 0.321 4.661 4.340 0.001 0.000 0.267 322 Q C -0.796 175.180 176.000 -0.041 0.000 1.006 322 Q CA -0.783 55.008 55.803 -0.021 0.000 0.818 322 Q CB 2.231 30.919 28.738 -0.083 0.000 1.276 322 Q HN 0.404 nan 8.270 nan 0.000 0.450 323 N N 1.801 120.471 118.700 -0.050 0.000 2.589 323 N HA 0.308 5.048 4.740 0.001 0.000 0.232 323 N C -1.019 174.431 175.510 -0.099 0.000 1.015 323 N CA -0.118 52.891 53.050 -0.069 0.000 0.931 323 N CB 1.504 39.945 38.487 -0.077 0.000 1.150 323 N HN 0.543 nan 8.380 nan 0.000 0.512 324 A N 2.639 125.393 122.820 -0.111 0.000 2.388 324 A HA 0.522 4.843 4.320 0.001 0.000 0.257 324 A C 0.120 177.625 177.584 -0.132 0.000 1.095 324 A CA -0.395 51.561 52.037 -0.136 0.000 0.791 324 A CB 0.462 19.363 19.000 -0.164 0.000 1.029 324 A HN 0.746 nan 8.150 nan 0.000 0.489 325 I N 1.772 122.256 120.570 -0.144 0.000 2.533 325 I HA 0.420 4.590 4.170 0.001 0.000 0.290 325 I C 0.641 176.683 176.117 -0.125 0.000 1.056 325 I CA -0.338 60.885 61.300 -0.128 0.000 1.057 325 I CB 2.150 40.061 38.000 -0.148 0.000 1.240 325 I HN 0.874 nan 8.210 nan 0.000 0.423 326 T N 2.718 117.220 114.554 -0.086 0.000 2.856 326 T HA 0.117 4.468 4.350 0.001 0.000 0.306 326 T C 0.401 175.060 174.700 -0.068 0.000 1.062 326 T CA -0.415 61.636 62.100 -0.082 0.000 1.083 326 T CB 1.127 69.969 68.868 -0.044 0.000 0.984 326 T HN 0.596 nan 8.240 nan 0.000 0.542 327 S N 1.515 117.163 115.700 -0.086 0.000 2.509 327 S HA 0.049 4.520 4.470 0.001 0.000 0.287 327 S C 0.559 175.197 174.600 0.063 0.000 1.248 327 S CA -0.618 57.569 58.200 -0.022 0.000 1.089 327 S CB -0.578 62.612 63.200 -0.016 0.000 0.900 327 S HN 0.860 nan 8.310 nan 0.000 0.496 328 W N 6.265 127.525 121.300 -0.066 0.000 2.409 328 W HA 0.010 4.671 4.660 0.001 0.000 0.299 328 W C 2.179 178.657 176.519 -0.069 0.000 1.203 328 W CA 0.858 58.156 57.345 -0.079 0.000 1.298 328 W CB -0.229 29.140 29.460 -0.153 0.000 1.127 328 W HN 0.763 nan 8.180 nan 0.000 0.528 329 R N 0.623 121.074 120.500 -0.081 0.000 2.127 329 R HA -0.188 4.152 4.340 0.001 0.000 0.238 329 R C 1.642 177.753 176.300 -0.316 0.000 1.134 329 R CA 2.009 57.910 56.100 -0.330 0.000 0.975 329 R CB -0.338 29.828 30.300 -0.224 0.000 0.865 329 R HN 0.312 nan 8.270 nan 0.000 0.447 330 E N -0.114 119.972 120.200 -0.190 0.000 2.478 330 E HA 0.042 4.393 4.350 0.001 0.000 0.194 330 E C -0.135 176.391 176.600 -0.123 0.000 1.045 330 E CA -0.205 56.109 56.400 -0.144 0.000 0.868 330 E CB 0.226 29.812 29.700 -0.190 0.000 0.885 330 E HN 0.276 nan 8.360 nan 0.000 0.505 331 L N 1.644 122.739 121.223 -0.213 0.000 2.426 331 L HA 0.098 4.439 4.340 0.001 0.000 0.271 331 L C 0.752 177.535 176.870 -0.146 0.000 1.169 331 L CA -0.081 54.664 54.840 -0.160 0.000 0.836 331 L CB 0.576 42.513 42.059 -0.204 0.000 1.112 331 L HN 0.024 nan 8.230 nan 0.000 0.465 332 T N -0.866 113.658 114.554 -0.049 0.000 2.918 332 T HA 0.369 4.720 4.350 0.001 0.000 0.286 332 T C 0.580 175.285 174.700 0.009 0.000 1.026 332 T CA -0.862 61.228 62.100 -0.016 0.000 1.031 332 T CB 2.308 71.188 68.868 0.020 0.000 1.046 332 T HN 0.658 nan 8.240 nan 0.000 0.479 333 R N 0.307 120.821 120.500 0.023 0.000 2.075 333 R HA 0.140 4.481 4.340 0.001 0.000 0.220 333 R C -0.011 176.325 176.300 0.059 0.000 1.118 333 R CA 0.412 56.537 56.100 0.042 0.000 0.986 333 R CB 0.008 30.338 30.300 0.050 0.000 0.884 333 R HN 0.654 nan 8.270 nan 0.000 0.439 334 E N 1.590 121.827 120.200 0.060 0.000 2.373 334 E HA 0.009 4.360 4.350 0.001 0.000 0.267 334 E C -0.758 175.889 176.600 0.078 0.000 1.032 334 E CA 0.277 56.717 56.400 0.067 0.000 0.889 334 E CB 0.523 30.256 29.700 0.055 0.000 0.984 334 E HN 0.138 nan 8.360 nan 0.000 0.425 335 D N 2.942 123.403 120.400 0.102 0.000 2.890 335 D HA -0.148 4.493 4.640 0.001 0.000 0.226 335 D C -1.677 174.717 176.300 0.157 0.000 1.207 335 D CA 0.338 54.418 54.000 0.134 0.000 0.764 335 D CB 0.025 40.879 40.800 0.090 0.000 0.948 335 D HN 0.324 nan 8.370 nan 0.000 0.404 336 P HA -0.173 nan 4.420 nan 0.000 0.223 336 P C 1.394 178.830 177.300 0.227 0.000 1.151 336 P CA 0.796 64.011 63.100 0.192 0.000 0.787 336 P CB -0.087 31.704 31.700 0.153 0.000 0.788 337 Y N 0.186 120.565 120.300 0.132 0.000 2.333 337 Y HA -0.131 4.420 4.550 0.001 0.000 0.290 337 Y C 2.595 178.439 175.900 -0.093 0.000 1.144 337 Y CA 0.757 58.778 58.100 -0.131 0.000 1.228 337 Y CB -1.246 37.125 38.460 -0.149 0.000 0.985 337 Y HN -0.226 nan 8.280 nan 0.000 0.542 338 V N 0.352 120.328 119.914 0.104 0.000 2.490 338 V HA -0.306 3.815 4.120 0.001 0.000 0.250 338 V C 1.821 177.942 176.094 0.045 0.000 1.061 338 V CA 1.743 64.077 62.300 0.057 0.000 1.064 338 V CB -0.540 31.315 31.823 0.054 0.000 0.670 338 V HN 0.516 nan 8.190 nan 0.000 0.461 339 N N 0.402 119.142 118.700 0.068 0.000 2.272 339 N HA -0.121 4.620 4.740 0.001 0.000 0.185 339 N C 1.706 177.251 175.510 0.058 0.000 1.014 339 N CA 1.455 54.552 53.050 0.078 0.000 0.870 339 N CB -0.288 38.274 38.487 0.125 0.000 0.975 339 N HN 0.487 nan 8.380 nan 0.000 0.433 340 I N 0.846 121.410 120.570 -0.010 0.000 2.179 340 I HA -0.258 3.913 4.170 0.001 0.000 0.242 340 I C 2.058 178.162 176.117 -0.023 0.000 1.088 340 I CA 1.030 62.294 61.300 -0.060 0.000 1.357 340 I CB -0.328 37.568 38.000 -0.175 0.000 1.051 340 I HN 0.044 nan 8.210 nan 0.000 0.409 341 L N 0.190 121.403 121.223 -0.016 0.000 2.056 341 L HA -0.139 4.202 4.340 0.001 0.000 0.207 341 L C 2.800 179.672 176.870 0.003 0.000 1.078 341 L CA 1.292 56.124 54.840 -0.013 0.000 0.749 341 L CB -0.644 41.407 42.059 -0.013 0.000 0.901 341 L HN 0.134 nan 8.230 nan 0.000 0.433 342 R N 0.163 120.678 120.500 0.025 0.000 2.081 342 R HA -0.111 4.229 4.340 0.001 0.000 0.235 342 R C 2.378 178.695 176.300 0.028 0.000 1.131 342 R CA 1.360 57.488 56.100 0.047 0.000 0.960 342 R CB -0.766 29.574 30.300 0.067 0.000 0.856 342 R HN 0.448 nan 8.270 nan 0.000 0.436 343 G N 0.118 108.931 108.800 0.023 0.000 2.422 343 G HA2 -0.208 3.752 3.960 0.001 0.000 0.218 343 G HA3 -0.208 3.752 3.960 0.001 0.000 0.218 343 G C 1.425 176.333 174.900 0.015 0.000 1.140 343 G CA 0.569 45.680 45.100 0.018 0.000 0.775 343 G HN 0.201 nan 8.290 nan 0.000 0.545 344 S N 0.326 116.033 115.700 0.011 0.000 2.353 344 S HA -0.114 4.356 4.470 0.001 0.000 0.222 344 S C 2.193 176.800 174.600 0.011 0.000 1.035 344 S CA 1.097 59.305 58.200 0.013 0.000 1.025 344 S CB -0.296 62.898 63.200 -0.010 0.000 0.902 344 S HN 0.382 nan 8.310 nan 0.000 0.440 345 I N 1.122 121.678 120.570 -0.023 0.000 2.315 345 I HA -0.182 3.989 4.170 0.001 0.000 0.248 345 I C 2.367 178.492 176.117 0.013 0.000 1.117 345 I CA 1.061 62.332 61.300 -0.048 0.000 1.404 345 I CB -0.355 37.594 38.000 -0.085 0.000 1.071 345 I HN 0.293 nan 8.210 nan 0.000 0.419 346 A N -0.161 122.659 122.820 0.000 0.000 1.873 346 A HA -0.194 4.127 4.320 0.001 0.000 0.215 346 A C 2.276 179.828 177.584 -0.053 0.000 1.186 346 A CA 2.357 54.376 52.037 -0.031 0.000 0.616 346 A CB -1.171 17.804 19.000 -0.041 0.000 0.823 346 A HN 0.433 nan 8.150 nan 0.000 0.442 347 T N -0.727 113.807 114.554 -0.034 0.000 2.746 347 T HA -0.127 4.224 4.350 0.001 0.000 0.267 347 T C 1.616 176.245 174.700 -0.118 0.000 1.039 347 T CA 1.560 63.614 62.100 -0.076 0.000 1.142 347 T CB -0.416 68.449 68.868 -0.005 0.000 0.866 347 T HN 0.522 nan 8.240 nan 0.000 0.444 348 F N 2.098 121.940 119.950 -0.181 0.000 2.102 348 F HA -0.143 4.384 4.527 0.001 0.000 0.298 348 F C 2.489 178.133 175.800 -0.259 0.000 1.105 348 F CA 1.392 59.271 58.000 -0.202 0.000 1.239 348 F CB -0.427 38.491 39.000 -0.138 0.000 0.991 348 F HN 0.028 nan 8.300 nan 0.000 0.474 349 S N 0.754 116.489 115.700 0.058 0.000 2.383 349 S HA -0.198 4.273 4.470 0.001 0.000 0.229 349 S C 2.277 176.732 174.600 -0.242 0.000 1.030 349 S CA 1.081 59.228 58.200 -0.089 0.000 1.002 349 S CB -0.888 62.280 63.200 -0.053 0.000 0.829 349 S HN 0.581 nan 8.310 nan 0.000 0.467 350 A N 1.103 123.765 122.820 -0.263 0.000 1.902 350 A HA -0.091 4.230 4.320 0.001 0.000 0.217 350 A C 2.310 179.637 177.584 -0.429 0.000 1.181 350 A CA 1.948 53.801 52.037 -0.305 0.000 0.623 350 A CB -1.069 17.752 19.000 -0.299 0.000 0.818 350 A HN 0.496 nan 8.150 nan 0.000 0.443 351 S N -0.465 114.855 115.700 -0.634 0.000 2.356 351 S HA -0.129 4.342 4.470 0.001 0.000 0.223 351 S C 1.891 176.183 174.600 -0.513 0.000 1.032 351 S CA 1.743 59.464 58.200 -0.798 0.000 1.005 351 S CB -0.577 61.867 63.200 -1.260 0.000 0.867 351 S HN 0.303 nan 8.310 nan 0.000 0.449 352 V N 1.596 121.190 119.914 -0.532 0.000 2.490 352 V HA -0.028 4.093 4.120 0.001 0.000 0.250 352 V C 2.645 178.581 176.094 -0.263 0.000 1.061 352 V CA 1.702 63.754 62.300 -0.413 0.000 1.064 352 V CB -1.431 30.088 31.823 -0.507 0.000 0.670 352 V HN 0.659 nan 8.190 nan 0.000 0.461 353 G N -0.589 108.064 108.800 -0.245 0.000 2.848 353 G HA2 0.277 4.238 3.960 0.001 0.000 0.208 353 G HA3 0.277 4.238 3.960 0.001 0.000 0.208 353 G C 1.214 176.024 174.900 -0.149 0.000 1.152 353 G CA 0.560 45.554 45.100 -0.178 0.000 0.789 353 G HN 1.022 nan 8.290 nan 0.000 0.531 354 G N -0.874 107.833 108.800 -0.156 0.000 2.225 354 G HA2 0.132 4.093 3.960 0.001 0.000 0.264 354 G HA3 0.132 4.093 3.960 0.001 0.000 0.264 354 G C 0.460 175.307 174.900 -0.088 0.000 1.060 354 G CA 0.203 45.245 45.100 -0.096 0.000 0.833 354 G HN 1.309 nan 8.290 nan 0.000 0.498 355 A N -0.803 121.926 122.820 -0.152 0.000 2.445 355 A HA 0.656 4.976 4.320 0.001 0.000 0.242 355 A C 1.248 178.800 177.584 -0.053 0.000 1.075 355 A CA 1.043 53.006 52.037 -0.123 0.000 0.777 355 A CB 0.372 19.262 19.000 -0.182 0.000 1.013 355 A HN 0.396 nan 8.150 nan 0.000 0.493 356 E N 0.389 120.584 120.200 -0.008 0.000 2.107 356 E HA 0.010 4.361 4.350 0.001 0.000 0.191 356 E C 0.776 177.431 176.600 0.091 0.000 0.982 356 E CA 1.615 58.045 56.400 0.050 0.000 0.809 356 E CB 0.026 29.752 29.700 0.042 0.000 0.756 356 E HN 0.763 nan 8.360 nan 0.000 0.459 357 S N -0.948 114.781 115.700 0.049 0.000 2.595 357 S HA 0.685 5.155 4.470 0.001 0.000 0.281 357 S C -0.643 173.968 174.600 0.018 0.000 1.117 357 S CA -1.004 57.254 58.200 0.096 0.000 0.873 357 S CB 1.462 64.702 63.200 0.066 0.000 1.108 357 S HN 0.021 nan 8.310 nan 0.000 0.477 358 I N 1.435 122.044 120.570 0.065 0.000 2.478 358 I HA 0.376 4.547 4.170 0.001 0.000 0.287 358 I C -0.724 175.410 176.117 0.029 0.000 1.042 358 I CA -0.354 60.925 61.300 -0.034 0.000 1.067 358 I CB 2.531 40.409 38.000 -0.203 0.000 1.233 358 I HN 0.659 nan 8.210 nan 0.000 0.431 359 T N 3.981 118.521 114.554 -0.024 0.000 2.788 359 T HA 0.303 4.653 4.350 0.001 0.000 0.296 359 T C -0.088 174.603 174.700 -0.015 0.000 1.009 359 T CA -0.366 61.726 62.100 -0.013 0.000 0.949 359 T CB 0.820 69.659 68.868 -0.049 0.000 0.946 359 T HN 0.439 nan 8.240 nan 0.000 0.453 360 T N 5.314 119.876 114.554 0.013 0.000 2.743 360 T HA 0.413 4.764 4.350 0.001 0.000 0.293 360 T C 0.596 175.308 174.700 0.020 0.000 0.945 360 T CA -0.595 61.514 62.100 0.014 0.000 1.030 360 T CB 0.296 69.185 68.868 0.035 0.000 0.912 360 T HN 0.361 nan 8.240 nan 0.000 0.483 361 L N 5.085 126.324 121.223 0.027 0.000 2.439 361 L HA 0.299 4.640 4.340 0.001 0.000 0.269 361 L C -1.909 174.992 176.870 0.052 0.000 1.179 361 L CA -2.139 52.731 54.840 0.050 0.000 0.828 361 L CB -0.107 42.002 42.059 0.085 0.000 1.106 361 L HN 0.326 nan 8.230 nan 0.000 0.467 362 P HA -0.050 nan 4.420 nan 0.000 0.269 362 P C 0.338 177.651 177.300 0.021 0.000 1.209 362 P CA -0.142 62.964 63.100 0.010 0.000 0.776 362 P CB 0.305 31.977 31.700 -0.048 0.000 0.876 363 F N 0.344 120.233 119.950 -0.101 0.000 2.451 363 F HA -0.089 4.439 4.527 0.001 0.000 0.299 363 F C 1.358 177.094 175.800 -0.108 0.000 1.101 363 F CA 1.133 59.063 58.000 -0.117 0.000 1.436 363 F CB -1.630 37.251 39.000 -0.198 0.000 1.074 363 F HN 0.203 nan 8.300 nan 0.000 0.553 364 T N -2.854 111.329 114.554 -0.617 0.000 3.129 364 T HA 0.017 4.367 4.350 0.001 0.000 0.251 364 T C 1.465 176.061 174.700 -0.173 0.000 1.117 364 T CA 0.483 62.277 62.100 -0.510 0.000 1.034 364 T CB -0.205 68.291 68.868 -0.620 0.000 0.968 364 T HN 0.356 nan 8.240 nan 0.000 0.526 365 Q N 1.652 121.448 119.800 -0.007 0.000 2.291 365 Q HA 0.181 4.521 4.340 0.001 0.000 0.206 365 Q C 2.121 178.340 176.000 0.366 0.000 0.976 365 Q CA 1.387 57.325 55.803 0.224 0.000 0.875 365 Q CB -0.665 28.221 28.738 0.247 0.000 0.927 365 Q HN 0.697 nan 8.270 nan 0.000 0.450 366 A N -1.086 121.844 122.820 0.183 0.000 2.178 366 A HA 0.142 4.463 4.320 0.001 0.000 0.211 366 A C 1.545 179.261 177.584 0.219 0.000 1.157 366 A CA 0.394 52.534 52.037 0.172 0.000 0.780 366 A CB -0.026 18.972 19.000 -0.003 0.000 0.828 366 A HN 0.398 nan 8.150 nan 0.000 0.476 367 L N -2.164 119.126 121.223 0.112 0.000 2.362 367 L HA 0.467 4.808 4.340 0.001 0.000 0.204 367 L C 1.277 178.046 176.870 -0.169 0.000 1.060 367 L CA 0.539 55.386 54.840 0.011 0.000 0.827 367 L CB -0.247 41.765 42.059 -0.078 0.000 1.027 367 L HN 0.441 nan 8.230 nan 0.000 0.474 368 G N -0.416 108.075 108.800 -0.516 0.000 2.323 368 G HA2 0.340 4.301 3.960 0.001 0.000 0.291 368 G HA3 0.340 4.301 3.960 0.001 0.000 0.291 368 G C -1.870 172.433 174.900 -0.995 0.000 1.278 368 G CA -0.920 43.457 45.100 -1.205 0.000 0.860 368 G HN -0.106 nan 8.290 nan 0.000 0.504 369 L N 1.469 122.223 121.223 -0.782 0.000 2.334 369 L HA 0.426 4.767 4.340 0.001 0.000 0.277 369 L C -2.032 174.662 176.870 -0.292 0.000 1.075 369 L CA -1.751 52.858 54.840 -0.385 0.000 0.804 369 L CB 1.569 43.460 42.059 -0.280 0.000 1.174 369 L HN 0.210 nan 8.230 nan 0.000 0.438 370 P HA -0.036 nan 4.420 nan 0.000 0.264 370 P C -0.024 177.207 177.300 -0.115 0.000 1.183 370 P CA 0.268 63.309 63.100 -0.099 0.000 0.763 370 P CB 0.542 32.264 31.700 0.038 0.000 0.807 371 E N 1.040 121.210 120.200 -0.051 0.000 2.385 371 E HA -0.063 4.288 4.350 0.001 0.000 0.194 371 E C 0.230 176.945 176.600 0.191 0.000 1.013 371 E CA 0.642 57.016 56.400 -0.043 0.000 0.866 371 E CB 0.310 30.000 29.700 -0.017 0.000 0.832 371 E HN 0.639 nan 8.360 nan 0.000 0.500 372 D N -2.091 118.495 120.400 0.309 0.000 3.057 372 D HA -0.027 4.614 4.640 0.001 0.000 0.328 372 D C 0.219 176.708 176.300 0.314 0.000 1.317 372 D CA -0.576 53.636 54.000 0.354 0.000 0.973 372 D CB -0.109 40.821 40.800 0.217 0.000 1.424 372 D HN -0.262 nan 8.370 nan 0.000 0.569 373 D N -1.714 118.804 120.400 0.195 0.000 2.269 373 D HA -0.040 4.601 4.640 0.001 0.000 0.208 373 D C 1.568 177.994 176.300 0.211 0.000 0.963 373 D CA 0.372 54.460 54.000 0.148 0.000 0.864 373 D CB -0.191 40.660 40.800 0.085 0.000 0.936 373 D HN 0.233 nan 8.370 nan 0.000 0.505 374 F N 1.902 121.916 119.950 0.106 0.000 2.037 374 F HA -0.214 4.313 4.527 0.001 0.000 0.296 374 F C -1.064 174.837 175.800 0.168 0.000 1.132 374 F CA 1.828 59.908 58.000 0.135 0.000 1.211 374 F CB -1.688 37.405 39.000 0.155 0.000 0.951 374 F HN 0.090 nan 8.300 nan 0.000 0.503 375 P HA -0.133 nan 4.420 nan 0.000 0.218 375 P C 2.167 179.430 177.300 -0.062 0.000 1.149 375 P CA 1.791 64.792 63.100 -0.166 0.000 0.817 375 P CB -0.210 31.309 31.700 -0.301 0.000 0.785 376 L N -0.959 120.265 121.223 0.002 0.000 2.072 376 L HA -0.044 4.297 4.340 0.001 0.000 0.205 376 L C 2.897 179.777 176.870 0.018 0.000 1.079 376 L CA 1.213 56.061 54.840 0.013 0.000 0.752 376 L CB -0.659 41.429 42.059 0.048 0.000 0.906 376 L HN -0.114 nan 8.230 nan 0.000 0.436 377 R N 0.547 121.068 120.500 0.034 0.000 2.081 377 R HA -0.166 4.174 4.340 0.001 0.000 0.235 377 R C 2.299 178.605 176.300 0.010 0.000 1.131 377 R CA 1.376 57.501 56.100 0.042 0.000 0.960 377 R CB -0.016 30.337 30.300 0.089 0.000 0.856 377 R HN 0.164 nan 8.270 nan 0.000 0.436 378 I N 1.170 121.708 120.570 -0.053 0.000 2.226 378 I HA -0.190 3.981 4.170 0.001 0.000 0.245 378 I C 2.511 178.625 176.117 -0.005 0.000 1.100 378 I CA 1.481 62.746 61.300 -0.059 0.000 1.374 378 I CB -1.621 36.283 38.000 -0.159 0.000 1.057 378 I HN 0.282 nan 8.210 nan 0.000 0.413 379 A N 1.839 124.664 122.820 0.009 0.000 1.877 379 A HA -0.225 4.096 4.320 0.001 0.000 0.216 379 A C 2.443 180.050 177.584 0.038 0.000 1.186 379 A CA 1.957 54.010 52.037 0.026 0.000 0.620 379 A CB -0.621 18.389 19.000 0.016 0.000 0.822 379 A HN 0.550 nan 8.150 nan 0.000 0.443 380 R N -0.914 119.607 120.500 0.035 0.000 2.090 380 R HA -0.024 4.317 4.340 0.001 0.000 0.228 380 R C 1.430 177.763 176.300 0.056 0.000 1.110 380 R CA 1.486 57.616 56.100 0.050 0.000 0.973 380 R CB -0.610 29.717 30.300 0.044 0.000 0.869 380 R HN 0.327 nan 8.270 nan 0.000 0.440 381 N N 0.527 119.255 118.700 0.045 0.000 2.309 381 N HA -0.077 4.664 4.740 0.001 0.000 0.182 381 N C 1.318 176.865 175.510 0.062 0.000 1.018 381 N CA 1.661 54.738 53.050 0.046 0.000 0.876 381 N CB -0.390 38.120 38.487 0.038 0.000 0.972 381 N HN 0.292 nan 8.380 nan 0.000 0.434 382 T N -0.216 114.379 114.554 0.068 0.000 2.607 382 T HA -0.134 4.216 4.350 0.001 0.000 0.267 382 T C 1.896 176.686 174.700 0.150 0.000 1.049 382 T CA 1.763 63.914 62.100 0.086 0.000 1.162 382 T CB -0.805 68.104 68.868 0.068 0.000 0.863 382 T HN 0.398 nan 8.240 nan 0.000 0.424 383 G N 0.601 109.522 108.800 0.201 0.000 2.403 383 G HA2 -0.055 3.906 3.960 0.001 0.000 0.216 383 G HA3 -0.055 3.906 3.960 0.001 0.000 0.216 383 G C 1.584 176.633 174.900 0.248 0.000 1.154 383 G CA 0.298 45.632 45.100 0.390 0.000 0.784 383 G HN 0.488 nan 8.290 nan 0.000 0.538 384 I N 0.402 121.025 120.570 0.089 0.000 2.226 384 I HA -0.166 4.004 4.170 0.001 0.000 0.245 384 I C 2.746 178.869 176.117 0.011 0.000 1.100 384 I CA 0.544 61.837 61.300 -0.012 0.000 1.374 384 I CB -0.209 37.783 38.000 -0.012 0.000 1.057 384 I HN 0.021 nan 8.210 nan 0.000 0.413 385 V N 0.807 120.756 119.914 0.058 0.000 2.358 385 V HA -0.263 3.858 4.120 0.001 0.000 0.246 385 V C 2.381 178.534 176.094 0.098 0.000 1.047 385 V CA 1.654 63.992 62.300 0.062 0.000 1.035 385 V CB -0.394 31.467 31.823 0.063 0.000 0.658 385 V HN 0.347 nan 8.190 nan 0.000 0.452 386 L N -0.155 121.172 121.223 0.175 0.000 2.012 386 L HA -0.192 4.149 4.340 0.001 0.000 0.210 386 L C 2.656 179.688 176.870 0.271 0.000 1.073 386 L CA 1.777 56.778 54.840 0.267 0.000 0.748 386 L CB -0.656 41.630 42.059 0.379 0.000 0.891 386 L HN 0.372 nan 8.230 nan 0.000 0.431 387 A N -0.560 122.340 122.820 0.132 0.000 1.872 387 A HA -0.160 4.161 4.320 0.001 0.000 0.214 387 A C 2.127 179.665 177.584 -0.076 0.000 1.187 387 A CA 1.429 53.378 52.037 -0.146 0.000 0.614 387 A CB -0.277 18.338 19.000 -0.642 0.000 0.826 387 A HN 0.456 nan 8.150 nan 0.000 0.442 388 E N -0.900 119.264 120.200 -0.059 0.000 2.340 388 E HA -0.030 4.321 4.350 0.001 0.000 0.194 388 E C 1.482 178.080 176.600 -0.004 0.000 0.996 388 E CA 0.749 57.124 56.400 -0.042 0.000 0.869 388 E CB 0.109 29.777 29.700 -0.053 0.000 0.835 388 E HN 0.725 nan 8.360 nan 0.000 0.493 389 E N 0.155 120.368 120.200 0.021 0.000 2.332 389 E HA 0.016 4.367 4.350 0.001 0.000 0.202 389 E C 1.866 178.495 176.600 0.048 0.000 0.877 389 E CA 0.211 56.630 56.400 0.031 0.000 0.979 389 E CB 0.799 30.519 29.700 0.034 0.000 0.969 389 E HN -0.024 nan 8.360 nan 0.000 0.495 390 V N 1.650 121.610 119.914 0.076 0.000 3.235 390 V HA -0.056 4.064 4.120 0.001 0.000 0.259 390 V C 0.403 176.554 176.094 0.095 0.000 1.133 390 V CA 0.402 62.763 62.300 0.101 0.000 1.128 390 V CB -0.555 31.360 31.823 0.154 0.000 0.757 390 V HN 0.306 nan 8.190 nan 0.000 0.469 391 N N 0.393 119.140 118.700 0.077 0.000 2.708 391 N HA -0.244 4.496 4.740 0.001 0.000 0.249 391 N C 0.922 176.481 175.510 0.082 0.000 1.097 391 N CA 1.340 54.427 53.050 0.061 0.000 0.710 391 N CB -1.148 37.364 38.487 0.040 0.000 1.032 391 N HN 0.759 nan 8.380 nan 0.000 0.551 392 I N -3.981 116.663 120.570 0.123 0.000 2.761 392 I HA 0.110 4.280 4.170 0.001 0.000 0.261 392 I C 1.909 178.096 176.117 0.116 0.000 1.198 392 I CA 1.340 62.687 61.300 0.078 0.000 1.482 392 I CB -0.163 37.822 38.000 -0.025 0.000 1.100 392 I HN 0.033 nan 8.210 nan 0.000 0.445 393 G N 0.941 109.897 108.800 0.260 0.000 2.985 393 G HA2 0.054 4.014 3.960 0.001 0.000 0.209 393 G HA3 0.054 4.014 3.960 0.001 0.000 0.209 393 G C 1.554 176.526 174.900 0.120 0.000 1.165 393 G CA -0.285 44.990 45.100 0.291 0.000 0.776 393 G HN 0.193 nan 8.290 nan 0.000 0.541 394 R N -0.282 120.258 120.500 0.067 0.000 2.193 394 R HA 0.075 4.416 4.340 0.001 0.000 0.213 394 R C 0.075 176.394 176.300 0.033 0.000 1.055 394 R CA 0.314 56.437 56.100 0.037 0.000 0.995 394 R CB 0.067 30.383 30.300 0.027 0.000 0.893 394 R HN 0.257 nan 8.270 nan 0.000 0.459 395 V N 2.375 122.307 119.914 0.030 0.000 2.495 395 V HA 0.201 4.322 4.120 0.001 0.000 0.298 395 V C -0.070 176.031 176.094 0.012 0.000 1.031 395 V CA -1.024 61.287 62.300 0.017 0.000 0.871 395 V CB 2.079 33.906 31.823 0.005 0.000 0.988 395 V HN 0.127 nan 8.190 nan 0.000 0.432 396 N N 2.977 121.686 118.700 0.014 0.000 2.488 396 N HA 0.111 4.851 4.740 0.001 0.000 0.274 396 N C -0.004 175.496 175.510 -0.017 0.000 1.111 396 N CA 0.008 53.063 53.050 0.009 0.000 0.974 396 N CB 0.734 39.235 38.487 0.023 0.000 1.089 396 N HN 0.898 nan 8.380 nan 0.000 0.465 397 D N 1.722 122.103 120.400 -0.033 0.000 2.890 397 D HA -0.122 4.518 4.640 0.001 0.000 0.226 397 D C -1.494 174.771 176.300 -0.057 0.000 1.207 397 D CA -0.235 53.733 54.000 -0.053 0.000 0.764 397 D CB 0.111 40.882 40.800 -0.049 0.000 0.948 397 D HN 0.395 nan 8.370 nan 0.000 0.404 398 P HA -0.149 nan 4.420 nan 0.000 0.217 398 P C 1.109 178.385 177.300 -0.040 0.000 1.148 398 P CA 1.793 64.862 63.100 -0.051 0.000 0.828 398 P CB 0.061 31.722 31.700 -0.065 0.000 0.783 399 A N -0.375 122.419 122.820 -0.042 0.000 2.238 399 A HA 0.295 4.616 4.320 0.001 0.000 0.208 399 A C 1.447 179.000 177.584 -0.052 0.000 1.177 399 A CA 0.315 52.338 52.037 -0.023 0.000 0.804 399 A CB -1.196 17.803 19.000 -0.001 0.000 0.823 399 A HN 0.254 nan 8.150 nan 0.000 0.482 400 G N -1.337 107.426 108.800 -0.062 0.000 2.272 400 G HA2 0.434 4.395 3.960 0.001 0.000 0.247 400 G HA3 0.434 4.395 3.960 0.001 0.000 0.247 400 G C 1.186 176.042 174.900 -0.074 0.000 1.272 400 G CA 0.214 45.271 45.100 -0.071 0.000 0.921 400 G HN 1.455 nan 8.290 nan 0.000 0.495 401 G N 1.122 109.883 108.800 -0.065 0.000 2.234 401 G HA2 -0.225 3.735 3.960 0.001 0.000 0.235 401 G HA3 -0.225 3.735 3.960 0.001 0.000 0.235 401 G C 0.977 175.820 174.900 -0.094 0.000 0.997 401 G CA 0.811 45.880 45.100 -0.051 0.000 0.623 401 G HN 1.942 nan 8.290 nan 0.000 0.514 402 S N 0.417 116.039 115.700 -0.131 0.000 2.575 402 S HA 0.321 4.792 4.470 0.001 0.000 0.295 402 S C 1.556 176.094 174.600 -0.104 0.000 1.267 402 S CA 0.567 58.648 58.200 -0.198 0.000 1.074 402 S CB 0.069 63.198 63.200 -0.118 0.000 0.829 402 S HN 0.415 nan 8.310 nan 0.000 0.497 403 Y N 3.795 124.088 120.300 -0.011 0.000 2.053 403 Y HA -0.239 4.311 4.550 0.001 0.000 0.277 403 Y C 2.209 178.067 175.900 -0.069 0.000 1.159 403 Y CA 1.872 59.979 58.100 0.012 0.000 1.125 403 Y CB -0.765 37.741 38.460 0.076 0.000 0.969 403 Y HN 0.893 nan 8.280 nan 0.000 0.492 404 Y N 1.042 121.209 120.300 -0.221 0.000 2.097 404 Y HA -0.247 4.303 4.550 0.001 0.000 0.282 404 Y C 2.388 177.973 175.900 -0.526 0.000 1.152 404 Y CA 1.090 58.723 58.100 -0.779 0.000 1.136 404 Y CB -0.975 37.150 38.460 -0.559 0.000 0.975 404 Y HN -0.070 nan 8.280 nan 0.000 0.498 405 V N 0.905 120.563 119.914 -0.427 0.000 2.332 405 V HA -0.268 3.853 4.120 0.001 0.000 0.248 405 V C 2.500 178.453 176.094 -0.234 0.000 1.055 405 V CA 2.220 64.278 62.300 -0.403 0.000 1.038 405 V CB -0.619 31.079 31.823 -0.209 0.000 0.651 405 V HN 0.327 nan 8.190 nan 0.000 0.450 406 E N -0.026 120.092 120.200 -0.137 0.000 2.031 406 E HA -0.191 4.160 4.350 0.001 0.000 0.193 406 E C 2.521 179.080 176.600 -0.070 0.000 0.994 406 E CA 1.700 58.057 56.400 -0.072 0.000 0.800 406 E CB -0.709 28.985 29.700 -0.010 0.000 0.752 406 E HN 0.535 nan 8.360 nan 0.000 0.447 407 S N 0.509 116.161 115.700 -0.080 0.000 2.359 407 S HA -0.164 4.307 4.470 0.001 0.000 0.224 407 S C 2.006 176.572 174.600 -0.056 0.000 1.035 407 S CA 1.175 59.354 58.200 -0.035 0.000 1.018 407 S CB -0.260 62.937 63.200 -0.005 0.000 0.876 407 S HN 0.164 nan 8.310 nan 0.000 0.448 408 L N 1.423 122.550 121.223 -0.159 0.000 2.046 408 L HA -0.037 4.304 4.340 0.001 0.000 0.208 408 L C 2.463 179.283 176.870 -0.084 0.000 1.077 408 L CA 2.287 57.054 54.840 -0.122 0.000 0.747 408 L CB -1.336 40.572 42.059 -0.252 0.000 0.896 408 L HN 0.301 nan 8.230 nan 0.000 0.432 409 T N -0.812 113.682 114.554 -0.101 0.000 2.652 409 T HA -0.242 4.109 4.350 0.001 0.000 0.267 409 T C 2.025 176.708 174.700 -0.029 0.000 1.039 409 T CA 1.685 63.746 62.100 -0.065 0.000 1.153 409 T CB -0.267 68.562 68.868 -0.064 0.000 0.863 409 T HN 0.179 nan 8.240 nan 0.000 0.428 410 R N 1.420 121.907 120.500 -0.022 0.000 2.081 410 R HA 0.006 4.347 4.340 0.001 0.000 0.235 410 R C 2.567 178.879 176.300 0.020 0.000 1.131 410 R CA 1.691 57.790 56.100 -0.001 0.000 0.960 410 R CB -0.987 29.314 30.300 0.002 0.000 0.856 410 R HN 0.261 nan 8.270 nan 0.000 0.436 411 S N 0.344 116.063 115.700 0.030 0.000 2.368 411 S HA -0.080 4.391 4.470 0.001 0.000 0.225 411 S C 1.821 176.451 174.600 0.050 0.000 1.030 411 S CA 1.415 59.647 58.200 0.053 0.000 0.999 411 S CB -0.262 62.981 63.200 0.072 0.000 0.844 411 S HN 0.273 nan 8.310 nan 0.000 0.459 412 L N 0.975 122.215 121.223 0.029 0.000 2.027 412 L HA -0.097 4.244 4.340 0.001 0.000 0.206 412 L C 2.839 179.739 176.870 0.050 0.000 1.074 412 L CA 1.128 55.984 54.840 0.026 0.000 0.745 412 L CB -0.838 41.219 42.059 -0.003 0.000 0.898 412 L HN 0.314 nan 8.230 nan 0.000 0.433 413 A N 0.438 123.288 122.820 0.050 0.000 1.851 413 A HA -0.258 4.063 4.320 0.001 0.000 0.216 413 A C 1.941 179.613 177.584 0.146 0.000 1.195 413 A CA 2.190 54.280 52.037 0.087 0.000 0.622 413 A CB -0.714 18.309 19.000 0.038 0.000 0.831 413 A HN 0.376 nan 8.150 nan 0.000 0.444 414 D N 0.079 120.544 120.400 0.107 0.000 2.104 414 D HA -0.096 4.545 4.640 0.001 0.000 0.194 414 D C 2.218 178.632 176.300 0.189 0.000 0.994 414 D CA 1.691 55.779 54.000 0.147 0.000 0.830 414 D CB -0.602 40.250 40.800 0.086 0.000 0.959 414 D HN 0.446 nan 8.370 nan 0.000 0.452 415 A N 1.090 123.987 122.820 0.130 0.000 1.877 415 A HA -0.033 4.288 4.320 0.001 0.000 0.216 415 A C 2.337 179.992 177.584 0.119 0.000 1.186 415 A CA 2.356 54.459 52.037 0.109 0.000 0.620 415 A CB -0.762 18.279 19.000 0.067 0.000 0.822 415 A HN 0.248 nan 8.150 nan 0.000 0.443 416 A N -1.528 121.361 122.820 0.116 0.000 1.898 416 A HA -0.162 4.159 4.320 0.001 0.000 0.216 416 A C 2.112 179.829 177.584 0.222 0.000 1.181 416 A CA 1.254 53.350 52.037 0.098 0.000 0.620 416 A CB -0.894 18.136 19.000 0.050 0.000 0.819 416 A HN 0.822 nan 8.150 nan 0.000 0.442 417 W N 1.117 122.495 121.300 0.130 0.000 2.335 417 W HA -0.243 4.418 4.660 0.001 0.000 0.311 417 W C 2.169 178.808 176.519 0.199 0.000 1.213 417 W CA 2.377 59.857 57.345 0.226 0.000 1.274 417 W CB -0.225 29.335 29.460 0.167 0.000 1.148 417 W HN 0.444 nan 8.180 nan 0.000 0.498 418 K N 0.611 121.187 120.400 0.294 0.000 2.032 418 K HA -0.297 4.024 4.320 0.001 0.000 0.209 418 K C 1.952 178.610 176.600 0.097 0.000 1.048 418 K CA 2.218 58.606 56.287 0.169 0.000 0.927 418 K CB -0.470 32.126 32.500 0.160 0.000 0.712 418 K HN -0.078 nan 8.250 nan 0.000 0.441 419 E N 0.105 120.375 120.200 0.118 0.000 2.106 419 E HA -0.182 4.169 4.350 0.001 0.000 0.192 419 E C 1.680 178.383 176.600 0.172 0.000 0.984 419 E CA 1.111 57.598 56.400 0.145 0.000 0.806 419 E CB -0.417 29.346 29.700 0.105 0.000 0.750 419 E HN 0.413 nan 8.360 nan 0.000 0.458 420 F N 1.358 121.272 119.950 -0.059 0.000 2.102 420 F HA -0.112 4.416 4.527 0.002 0.000 0.298 420 F C 2.001 177.672 175.800 -0.214 0.000 1.105 420 F CA 1.898 59.810 58.000 -0.145 0.000 1.239 420 F CB -0.745 38.064 39.000 -0.317 0.000 0.991 420 F HN 0.067 nan 8.300 nan 0.000 0.474 421 Q N -0.155 119.344 119.800 -0.503 0.000 2.061 421 Q HA -0.273 4.068 4.340 0.001 0.000 0.204 421 Q C 2.179 178.018 176.000 -0.267 0.000 0.984 421 Q CA 2.070 57.583 55.803 -0.483 0.000 0.846 421 Q CB -0.391 28.184 28.738 -0.271 0.000 0.902 421 Q HN 0.387 nan 8.270 nan 0.000 0.421 422 E N 0.112 120.236 120.200 -0.127 0.000 2.058 422 E HA -0.164 4.186 4.350 0.001 0.000 0.194 422 E C 1.883 178.372 176.600 -0.185 0.000 0.997 422 E CA 1.049 57.399 56.400 -0.084 0.000 0.801 422 E CB -0.157 29.568 29.700 0.041 0.000 0.746 422 E HN 0.107 nan 8.360 nan 0.000 0.450 423 V N 1.080 120.880 119.914 -0.189 0.000 2.295 423 V HA -0.222 3.898 4.120 0.001 0.000 0.246 423 V C 2.254 178.225 176.094 -0.206 0.000 1.049 423 V CA 1.960 64.115 62.300 -0.241 0.000 1.024 423 V CB -0.450 31.345 31.823 -0.046 0.000 0.648 423 V HN 0.280 nan 8.190 nan 0.000 0.447 424 E N 0.109 120.162 120.200 -0.244 0.000 2.058 424 E HA -0.278 4.073 4.350 0.001 0.000 0.194 424 E C 2.236 178.724 176.600 -0.186 0.000 0.997 424 E CA 1.530 57.775 56.400 -0.258 0.000 0.801 424 E CB -0.250 29.169 29.700 -0.468 0.000 0.746 424 E HN 0.548 nan 8.360 nan 0.000 0.450 425 K N 0.676 120.969 120.400 -0.177 0.000 2.103 425 K HA -0.125 4.196 4.320 0.001 0.000 0.207 425 K C 2.158 178.695 176.600 -0.104 0.000 1.048 425 K CA 1.556 57.769 56.287 -0.124 0.000 0.930 425 K CB -0.221 32.216 32.500 -0.105 0.000 0.716 425 K HN 0.126 nan 8.250 nan 0.000 0.444 426 L N -0.448 120.697 121.223 -0.129 0.000 2.599 426 L HA 0.289 4.630 4.340 0.001 0.000 0.230 426 L C 1.417 178.232 176.870 -0.092 0.000 1.141 426 L CA 1.132 55.905 54.840 -0.112 0.000 0.877 426 L CB -0.971 40.996 42.059 -0.153 0.000 1.009 426 L HN 0.541 nan 8.230 nan 0.000 0.447 427 G N -3.158 105.590 108.800 -0.087 0.000 2.175 427 G HA2 0.415 4.375 3.960 0.001 0.000 0.182 427 G HA3 0.415 4.375 3.960 0.001 0.000 0.182 427 G C 1.194 176.063 174.900 -0.052 0.000 1.003 427 G CA 0.341 45.406 45.100 -0.059 0.000 0.666 427 G HN 2.670 nan 8.290 nan 0.000 0.506 428 G N -1.819 106.936 108.800 -0.075 0.000 2.555 428 G HA2 0.264 4.225 3.960 0.001 0.000 0.686 428 G HA3 0.264 4.225 3.960 0.001 0.000 0.686 428 G C 0.434 175.297 174.900 -0.062 0.000 1.275 428 G CA 0.305 45.382 45.100 -0.039 0.000 0.871 428 G HN 1.252 nan 8.290 nan 0.000 0.603 429 M N 0.701 120.276 119.600 -0.042 0.000 2.213 429 M HA 0.044 4.525 4.480 0.001 0.000 0.263 429 M C 2.592 178.841 176.300 -0.086 0.000 1.062 429 M CA 2.939 58.183 55.300 -0.093 0.000 1.105 429 M CB -0.711 31.840 32.600 -0.082 0.000 1.385 429 M HN 0.658 nan 8.290 nan 0.000 0.417 430 S N -0.038 115.644 115.700 -0.029 0.000 2.356 430 S HA -0.130 4.341 4.470 0.001 0.000 0.223 430 S C 1.952 176.537 174.600 -0.026 0.000 1.032 430 S CA 1.119 59.318 58.200 -0.001 0.000 1.005 430 S CB -0.224 62.999 63.200 0.038 0.000 0.867 430 S HN 0.413 nan 8.310 nan 0.000 0.449 431 K N 1.340 121.719 120.400 -0.036 0.000 2.057 431 K HA 0.030 4.350 4.320 0.001 0.000 0.207 431 K C 2.337 178.892 176.600 -0.075 0.000 1.049 431 K CA 1.158 57.417 56.287 -0.046 0.000 0.931 431 K CB -0.621 31.851 32.500 -0.047 0.000 0.714 431 K HN 0.347 nan 8.250 nan 0.000 0.440 432 A N 1.006 123.750 122.820 -0.126 0.000 1.908 432 A HA -0.133 4.188 4.320 0.001 0.000 0.218 432 A C 2.449 179.944 177.584 -0.147 0.000 1.181 432 A CA 1.622 53.561 52.037 -0.163 0.000 0.627 432 A CB -0.611 18.218 19.000 -0.285 0.000 0.818 432 A HN 0.085 nan 8.150 nan 0.000 0.445 433 V N -0.468 119.355 119.914 -0.152 0.000 2.453 433 V HA -0.243 3.878 4.120 0.001 0.000 0.247 433 V C 2.581 178.641 176.094 -0.057 0.000 1.048 433 V CA 2.064 64.299 62.300 -0.110 0.000 1.049 433 V CB -0.540 31.247 31.823 -0.060 0.000 0.672 433 V HN 0.573 nan 8.190 nan 0.000 0.457 434 M N -1.178 118.397 119.600 -0.041 0.000 2.200 434 M HA -0.056 4.425 4.480 0.001 0.000 0.265 434 M C 1.443 177.732 176.300 -0.019 0.000 1.066 434 M CA 1.148 56.434 55.300 -0.024 0.000 1.127 434 M CB -0.231 32.361 32.600 -0.013 0.000 1.379 434 M HN 0.313 nan 8.290 nan 0.000 0.420 435 T N -0.129 114.414 114.554 -0.019 0.000 2.889 435 T HA 0.014 4.364 4.350 0.001 0.000 0.340 435 T C 0.934 175.635 174.700 0.002 0.000 1.145 435 T CA -0.121 61.977 62.100 -0.003 0.000 0.986 435 T CB 0.512 69.379 68.868 -0.001 0.000 1.461 435 T HN 0.078 nan 8.240 nan 0.000 0.541 436 E N -0.579 119.634 120.200 0.020 0.000 2.474 436 E HA 0.100 4.451 4.350 0.001 0.000 0.195 436 E C 1.355 177.972 176.600 0.029 0.000 1.039 436 E CA 0.205 56.616 56.400 0.018 0.000 0.881 436 E CB -0.268 29.443 29.700 0.019 0.000 0.970 436 E HN 0.602 nan 8.360 nan 0.000 0.486 437 H N 0.120 119.161 119.070 -0.048 0.000 2.293 437 H HA -0.081 4.475 4.556 0.001 0.000 0.300 437 H C 1.824 177.117 175.328 -0.059 0.000 1.082 437 H CA 2.154 58.178 56.048 -0.040 0.000 1.308 437 H CB 0.091 29.814 29.762 -0.066 0.000 1.375 437 H HN -0.052 nan 8.280 nan 0.000 0.495 438 V N -0.128 119.698 119.914 -0.147 0.000 2.287 438 V HA -0.297 3.824 4.120 0.001 0.000 0.248 438 V C 2.441 178.493 176.094 -0.071 0.000 1.053 438 V CA 2.350 64.436 62.300 -0.355 0.000 1.027 438 V CB -0.820 30.661 31.823 -0.569 0.000 0.646 438 V HN 0.584 nan 8.190 nan 0.000 0.447 439 T N -0.629 113.909 114.554 -0.026 0.000 2.788 439 T HA -0.253 4.098 4.350 0.001 0.000 0.268 439 T C 1.955 176.673 174.700 0.030 0.000 1.044 439 T CA 1.952 64.070 62.100 0.029 0.000 1.139 439 T CB -0.197 68.682 68.868 0.019 0.000 0.867 439 T HN 0.467 nan 8.240 nan 0.000 0.454 440 K N 0.609 121.003 120.400 -0.011 0.000 2.097 440 K HA -0.020 4.300 4.320 0.001 0.000 0.205 440 K C 2.076 178.670 176.600 -0.009 0.000 1.050 440 K CA 0.803 57.079 56.287 -0.018 0.000 0.938 440 K CB -0.188 32.285 32.500 -0.044 0.000 0.718 440 K HN 0.119 nan 8.250 nan 0.000 0.442 441 V N 1.336 121.250 119.914 0.001 0.000 2.323 441 V HA -0.198 3.923 4.120 0.001 0.000 0.244 441 V C 2.230 178.393 176.094 0.116 0.000 1.041 441 V CA 1.465 63.806 62.300 0.067 0.000 1.025 441 V CB -0.335 31.598 31.823 0.183 0.000 0.656 441 V HN 0.314 nan 8.190 nan 0.000 0.451 442 L N -0.066 121.278 121.223 0.202 0.000 2.079 442 L HA -0.220 4.121 4.340 0.001 0.000 0.210 442 L C 2.354 179.286 176.870 0.104 0.000 1.081 442 L CA 1.597 56.544 54.840 0.178 0.000 0.752 442 L CB -0.731 41.468 42.059 0.234 0.000 0.896 442 L HN 0.368 nan 8.230 nan 0.000 0.433 443 D N 0.014 120.460 120.400 0.078 0.000 2.117 443 D HA -0.128 4.513 4.640 0.001 0.000 0.198 443 D C 2.235 178.557 176.300 0.036 0.000 0.982 443 D CA 1.464 55.495 54.000 0.052 0.000 0.828 443 D CB -0.031 40.791 40.800 0.037 0.000 0.967 443 D HN 0.310 nan 8.370 nan 0.000 0.464 444 A N 0.367 123.205 122.820 0.031 0.000 1.873 444 A HA -0.172 4.149 4.320 0.001 0.000 0.215 444 A C 2.551 180.147 177.584 0.020 0.000 1.186 444 A CA 1.281 53.330 52.037 0.020 0.000 0.616 444 A CB -0.966 18.042 19.000 0.013 0.000 0.823 444 A HN 0.338 nan 8.150 nan 0.000 0.442 445 C N -0.220 119.094 119.300 0.022 0.000 2.432 445 C HA -0.091 4.369 4.460 0.001 0.000 0.277 445 C C 2.685 177.686 174.990 0.019 0.000 1.249 445 C CA 1.162 60.190 59.018 0.016 0.000 1.725 445 C CB -1.455 26.292 27.740 0.011 0.000 2.028 445 C HN 0.635 nan 8.230 nan 0.000 0.477 446 N N 1.217 119.934 118.700 0.028 0.000 2.166 446 N HA -0.079 4.662 4.740 0.001 0.000 0.186 446 N C 1.793 177.310 175.510 0.012 0.000 1.019 446 N CA 1.738 54.803 53.050 0.025 0.000 0.856 446 N CB -0.499 38.014 38.487 0.043 0.000 0.993 446 N HN 0.569 nan 8.380 nan 0.000 0.426 447 A N 0.597 123.424 122.820 0.013 0.000 1.930 447 A HA -0.073 4.248 4.320 0.001 0.000 0.215 447 A C 2.200 179.788 177.584 0.007 0.000 1.176 447 A CA 1.337 53.377 52.037 0.006 0.000 0.632 447 A CB -0.326 18.678 19.000 0.007 0.000 0.819 447 A HN 0.265 nan 8.150 nan 0.000 0.445 448 E N 0.323 120.530 120.200 0.013 0.000 2.047 448 E HA -0.161 4.190 4.350 0.001 0.000 0.191 448 E C 2.161 178.773 176.600 0.020 0.000 0.987 448 E CA 1.469 57.879 56.400 0.017 0.000 0.799 448 E CB -0.300 29.412 29.700 0.020 0.000 0.752 448 E HN 0.505 nan 8.360 nan 0.000 0.449 449 R N -0.205 120.306 120.500 0.019 0.000 2.083 449 R HA -0.152 4.189 4.340 0.001 0.000 0.237 449 R C 2.226 178.535 176.300 0.015 0.000 1.137 449 R CA 1.532 57.645 56.100 0.022 0.000 0.951 449 R CB -0.496 29.814 30.300 0.016 0.000 0.851 449 R HN 0.279 nan 8.270 nan 0.000 0.434 450 A N 1.105 123.923 122.820 -0.003 0.000 1.940 450 A HA -0.234 4.087 4.320 0.001 0.000 0.219 450 A C 2.078 179.651 177.584 -0.017 0.000 1.176 450 A CA 1.769 53.790 52.037 -0.026 0.000 0.631 450 A CB -0.490 18.484 19.000 -0.043 0.000 0.814 450 A HN 0.403 nan 8.150 nan 0.000 0.446 451 K N -0.503 119.896 120.400 -0.002 0.000 2.025 451 K HA -0.127 4.194 4.320 0.001 0.000 0.207 451 K C 2.245 178.857 176.600 0.020 0.000 1.049 451 K CA 1.358 57.649 56.287 0.007 0.000 0.933 451 K CB -0.145 32.362 32.500 0.012 0.000 0.714 451 K HN 0.447 nan 8.250 nan 0.000 0.438 452 R N 0.362 120.881 120.500 0.030 0.000 2.115 452 R HA -0.014 4.326 4.340 0.001 0.000 0.226 452 R C 2.377 178.712 176.300 0.059 0.000 1.100 452 R CA 0.981 57.107 56.100 0.042 0.000 0.980 452 R CB -0.208 30.121 30.300 0.048 0.000 0.875 452 R HN 0.188 nan 8.270 nan 0.000 0.445 453 L N 0.043 121.312 121.223 0.075 0.000 2.027 453 L HA -0.102 4.239 4.340 0.001 0.000 0.206 453 L C 2.634 179.632 176.870 0.214 0.000 1.074 453 L CA 1.242 56.174 54.840 0.154 0.000 0.745 453 L CB -0.524 41.615 42.059 0.134 0.000 0.898 453 L HN 0.239 nan 8.230 nan 0.000 0.433 454 A N 1.188 124.057 122.820 0.082 0.000 1.930 454 A HA -0.195 4.126 4.320 0.001 0.000 0.217 454 A C 1.807 179.420 177.584 0.047 0.000 1.175 454 A CA 1.946 54.015 52.037 0.054 0.000 0.627 454 A CB -0.660 18.323 19.000 -0.028 0.000 0.815 454 A HN 0.653 nan 8.150 nan 0.000 0.443 455 N N -1.789 116.926 118.700 0.024 0.000 2.336 455 N HA 0.030 4.771 4.740 0.001 0.000 0.189 455 N C 0.426 175.927 175.510 -0.016 0.000 1.113 455 N CA 0.376 53.420 53.050 -0.010 0.000 0.858 455 N CB -0.220 38.267 38.487 -0.001 0.000 0.970 455 N HN 0.481 nan 8.380 nan 0.000 0.471 456 R N -0.937 119.565 120.500 0.003 0.000 3.878 456 R HA -0.171 4.170 4.340 0.001 0.000 0.330 456 R C 0.466 176.761 176.300 -0.009 0.000 1.186 456 R CA 1.109 57.195 56.100 -0.023 0.000 0.885 456 R CB -1.854 28.390 30.300 -0.094 0.000 1.377 456 R HN 0.333 nan 8.270 nan 0.000 0.523 457 K N 0.821 121.230 120.400 0.014 0.000 2.217 457 K HA -0.104 4.217 4.320 0.001 0.000 0.202 457 K C 1.012 177.629 176.600 0.027 0.000 1.051 457 K CA 0.943 57.244 56.287 0.024 0.000 0.952 457 K CB 0.117 32.639 32.500 0.035 0.000 0.736 457 K HN 0.222 nan 8.250 nan 0.000 0.453 458 Q N 1.321 121.142 119.800 0.034 0.000 2.607 458 Q HA 0.184 4.525 4.340 0.001 0.000 0.247 458 Q C -2.589 173.428 176.000 0.028 0.000 1.033 458 Q CA -2.398 53.430 55.803 0.041 0.000 0.769 458 Q CB 1.224 30.006 28.738 0.072 0.000 1.169 458 Q HN -0.081 nan 8.270 nan 0.000 0.508 459 P HA 0.180 nan 4.420 nan 0.000 0.274 459 P C -0.580 176.688 177.300 -0.054 0.000 1.246 459 P CA -0.134 62.930 63.100 -0.060 0.000 0.795 459 P CB 1.324 32.978 31.700 -0.077 0.000 1.006 460 I N 0.898 121.407 120.570 -0.102 0.000 2.420 460 I HA 0.146 4.317 4.170 0.001 0.000 0.282 460 I C 0.421 176.478 176.117 -0.099 0.000 1.019 460 I CA -0.560 60.696 61.300 -0.073 0.000 1.130 460 I CB 1.257 39.220 38.000 -0.062 0.000 1.262 460 I HN 0.149 nan 8.210 nan 0.000 0.454 461 T N 5.270 119.792 114.554 -0.053 0.000 2.905 461 T HA 0.115 4.466 4.350 0.001 0.000 0.299 461 T C 1.153 175.840 174.700 -0.021 0.000 1.024 461 T CA 0.928 63.012 62.100 -0.027 0.000 1.151 461 T CB 0.714 69.577 68.868 -0.008 0.000 0.987 461 T HN 0.931 nan 8.240 nan 0.000 0.535 462 A N 2.478 125.293 122.820 -0.008 0.000 3.153 462 A HA -0.170 4.151 4.320 0.001 0.000 0.265 462 A C 1.328 178.887 177.584 -0.043 0.000 1.212 462 A CA 1.397 53.436 52.037 0.003 0.000 1.018 462 A CB -2.132 16.884 19.000 0.028 0.000 1.130 462 A HN 0.680 nan 8.150 nan 0.000 0.873 463 V N -1.215 118.625 119.914 -0.124 0.000 3.054 463 V HA 0.097 4.218 4.120 0.001 0.000 0.227 463 V C 2.096 177.926 176.094 -0.440 0.000 1.252 463 V CA 1.721 63.900 62.300 -0.202 0.000 1.279 463 V CB 0.688 32.417 31.823 -0.157 0.000 1.118 463 V HN 1.199 nan 8.190 nan 0.000 0.504 464 S N -1.482 113.877 115.700 -0.568 0.000 2.540 464 S HA 0.285 4.756 4.470 0.001 0.000 0.222 464 S C 0.325 174.649 174.600 -0.460 0.000 1.008 464 S CA -0.168 57.599 58.200 -0.722 0.000 0.939 464 S CB 0.427 63.056 63.200 -0.951 0.000 0.865 464 S HN 0.406 nan 8.310 nan 0.000 0.499 465 E N 1.007 121.003 120.200 -0.340 0.000 2.246 465 E HA 0.439 4.790 4.350 0.001 0.000 0.266 465 E C -1.027 175.458 176.600 -0.192 0.000 0.880 465 E CA -1.020 55.167 56.400 -0.355 0.000 0.762 465 E CB 1.137 30.709 29.700 -0.214 0.000 1.180 465 E HN 0.299 nan 8.360 nan 0.000 0.416 466 F N 1.387 121.266 119.950 -0.117 0.000 2.694 466 F HA -0.226 4.301 4.527 0.001 0.000 0.215 466 F C -1.722 174.052 175.800 -0.043 0.000 1.032 466 F CA -0.051 57.911 58.000 -0.064 0.000 0.871 466 F CB -1.139 37.834 39.000 -0.046 0.000 0.776 466 F HN 0.202 nan 8.300 nan 0.000 0.850 467 P HA 0.335 nan 4.420 nan 0.000 0.276 467 P C -0.401 176.943 177.300 0.073 0.000 1.252 467 P CA -0.583 62.542 63.100 0.042 0.000 0.802 467 P CB 1.466 33.162 31.700 -0.007 0.000 1.035 468 M N 1.874 121.493 119.600 0.033 0.000 2.151 468 M HA 0.381 4.861 4.480 0.001 0.000 0.290 468 M C -0.978 175.304 176.300 -0.030 0.000 0.965 468 M CA -0.863 54.432 55.300 -0.008 0.000 0.930 468 M CB 0.832 33.433 32.600 0.002 0.000 1.560 468 M HN 0.154 nan 8.290 nan 0.000 0.438 469 I N 4.895 125.410 120.570 -0.092 0.000 2.598 469 I HA 0.200 4.370 4.170 0.001 0.000 0.284 469 I C 1.264 177.359 176.117 -0.036 0.000 1.140 469 I CA 1.266 62.531 61.300 -0.058 0.000 1.420 469 I CB 0.570 38.513 38.000 -0.096 0.000 1.387 469 I HN 1.076 nan 8.210 nan 0.000 0.553 470 G N 4.250 113.047 108.800 -0.004 0.000 2.175 470 G HA2 -0.207 3.754 3.960 0.001 0.000 0.244 470 G HA3 -0.207 3.754 3.960 0.001 0.000 0.244 470 G C 0.484 175.395 174.900 0.018 0.000 0.982 470 G CA -0.176 44.928 45.100 0.005 0.000 0.641 470 G HN 1.040 nan 8.290 nan 0.000 0.527 471 A N 0.685 123.520 122.820 0.024 0.000 2.573 471 A HA 0.414 4.735 4.320 0.001 0.000 0.250 471 A C 1.039 178.666 177.584 0.072 0.000 1.049 471 A CA 1.163 53.225 52.037 0.042 0.000 0.767 471 A CB -0.047 18.984 19.000 0.051 0.000 0.965 471 A HN 0.966 nan 8.150 nan 0.000 0.514 472 R N 2.494 123.037 120.500 0.071 0.000 2.566 472 R HA 0.167 4.508 4.340 0.001 0.000 0.273 472 R C 0.499 176.939 176.300 0.234 0.000 0.981 472 R CA 1.003 57.171 56.100 0.114 0.000 1.091 472 R CB 0.228 30.557 30.300 0.048 0.000 0.924 472 R HN 0.838 nan 8.270 nan 0.000 0.411 473 S N 3.123 118.959 115.700 0.227 0.000 2.837 473 S HA 0.722 5.192 4.470 0.001 0.000 0.314 473 S C -0.786 173.982 174.600 0.279 0.000 1.098 473 S CA -0.957 57.388 58.200 0.241 0.000 0.903 473 S CB 0.973 64.253 63.200 0.134 0.000 1.310 473 S HN 0.592 nan 8.310 nan 0.000 0.581 474 I N 0.578 121.251 120.570 0.172 0.000 2.827 474 I HA 0.424 4.595 4.170 0.001 0.000 0.298 474 I C -1.292 174.848 176.117 0.039 0.000 1.235 474 I CA -0.637 60.751 61.300 0.147 0.000 1.021 474 I CB 1.887 39.995 38.000 0.180 0.000 1.259 474 I HN 0.555 nan 8.210 nan 0.000 0.427 475 E N 4.401 124.620 120.200 0.032 0.000 2.316 475 E HA 0.334 4.685 4.350 0.001 0.000 0.275 475 E C -0.544 176.021 176.600 -0.058 0.000 1.029 475 E CA 0.041 56.435 56.400 -0.011 0.000 0.871 475 E CB 1.328 31.028 29.700 0.000 0.000 1.022 475 E HN 0.662 nan 8.360 nan 0.000 0.418 476 T N -0.468 114.025 114.554 -0.101 0.000 2.865 476 T HA 0.527 4.878 4.350 0.001 0.000 0.294 476 T C -0.384 174.206 174.700 -0.183 0.000 1.119 476 T CA -1.180 60.819 62.100 -0.168 0.000 1.007 476 T CB 1.555 70.277 68.868 -0.244 0.000 1.225 476 T HN 0.197 nan 8.240 nan 0.000 0.515 477 K N 1.456 121.710 120.400 -0.244 0.000 2.183 477 K HA 0.485 4.805 4.320 0.001 0.000 0.274 477 K C -2.784 173.650 176.600 -0.278 0.000 1.009 477 K CA -2.065 54.087 56.287 -0.225 0.000 0.888 477 K CB 0.702 33.055 32.500 -0.244 0.000 1.078 477 K HN 0.357 nan 8.250 nan 0.000 0.459 478 P HA -0.081 nan 4.420 nan 0.000 0.265 478 P C -0.663 176.565 177.300 -0.121 0.000 1.187 478 P CA 0.325 63.339 63.100 -0.143 0.000 0.766 478 P CB 0.253 31.926 31.700 -0.046 0.000 0.820 479 F N 3.375 123.320 119.950 -0.008 0.000 2.484 479 F HA 0.183 4.711 4.527 0.001 0.000 0.360 479 F C -1.056 174.737 175.800 -0.011 0.000 1.101 479 F CA -1.694 56.303 58.000 -0.004 0.000 1.251 479 F CB -0.304 38.712 39.000 0.026 0.000 1.132 479 F HN 0.232 nan 8.300 nan 0.000 0.570 480 P HA 0.055 nan 4.420 nan 0.000 0.265 480 P C -0.878 176.461 177.300 0.064 0.000 1.193 480 P CA -0.276 62.873 63.100 0.081 0.000 0.765 480 P CB 0.430 32.158 31.700 0.046 0.000 0.823 481 A N 2.810 125.646 122.820 0.027 0.000 2.511 481 A HA 0.466 4.787 4.320 0.001 0.000 0.242 481 A C 0.404 177.963 177.584 -0.041 0.000 1.069 481 A CA 0.170 52.210 52.037 0.006 0.000 0.763 481 A CB -0.285 18.712 19.000 -0.004 0.000 1.001 481 A HN 0.602 nan 8.150 nan 0.000 0.498 482 A N 4.036 126.827 122.820 -0.047 0.000 2.317 482 A HA 0.728 5.048 4.320 0.001 0.000 0.327 482 A C -2.357 175.156 177.584 -0.118 0.000 1.178 482 A CA -1.669 50.309 52.037 -0.098 0.000 0.817 482 A CB -0.022 18.966 19.000 -0.019 0.000 1.189 482 A HN 0.703 nan 8.150 nan 0.000 0.489 483 P HA 0.288 nan 4.420 nan 0.000 0.264 483 P C 0.198 177.470 177.300 -0.047 0.000 1.183 483 P CA 0.222 63.190 63.100 -0.219 0.000 0.763 483 P CB 0.457 31.909 31.700 -0.412 0.000 0.807 484 A N 4.523 127.323 122.820 -0.034 0.000 2.520 484 A HA 0.147 4.468 4.320 0.001 0.000 0.235 484 A C 0.446 178.035 177.584 0.008 0.000 1.065 484 A CA 0.267 52.295 52.037 -0.015 0.000 0.764 484 A CB -0.064 18.922 19.000 -0.023 0.000 1.002 484 A HN 0.536 nan 8.150 nan 0.000 0.502 485 R N 0.784 121.258 120.500 -0.044 0.000 2.803 485 R HA 0.402 4.743 4.340 0.001 0.000 0.276 485 R C -0.007 176.223 176.300 -0.116 0.000 0.978 485 R CA -0.747 55.290 56.100 -0.104 0.000 0.939 485 R CB 1.877 32.029 30.300 -0.247 0.000 1.179 485 R HN 0.789 nan 8.270 nan 0.000 0.472 486 K N 0.292 120.617 120.400 -0.126 0.000 2.354 486 K HA 0.127 4.448 4.320 0.001 0.000 0.194 486 K C 1.019 177.554 176.600 -0.108 0.000 1.038 486 K CA 0.109 56.338 56.287 -0.097 0.000 1.052 486 K CB 0.978 33.431 32.500 -0.077 0.000 0.861 486 K HN 0.718 nan 8.250 nan 0.000 0.535 487 G N 0.930 109.633 108.800 -0.161 0.000 2.666 487 G HA2 0.222 4.183 3.960 0.001 0.000 0.207 487 G HA3 0.222 4.183 3.960 0.001 0.000 0.207 487 G C -0.212 174.617 174.900 -0.118 0.000 1.481 487 G CA -0.749 44.265 45.100 -0.143 0.000 1.071 487 G HN 0.044 nan 8.290 nan 0.000 0.572 488 L N 1.015 122.184 121.223 -0.090 0.000 2.640 488 L HA 0.175 4.516 4.340 0.001 0.000 0.280 488 L C 1.103 177.953 176.870 -0.033 0.000 1.229 488 L CA -0.346 54.491 54.840 -0.004 0.000 0.919 488 L CB -0.207 41.911 42.059 0.099 0.000 1.168 488 L HN 0.478 nan 8.230 nan 0.000 0.496 489 A N 4.846 127.709 122.820 0.070 0.000 2.388 489 A HA 0.342 4.663 4.320 0.001 0.000 0.257 489 A C -0.966 176.755 177.584 0.228 0.000 1.095 489 A CA -0.308 51.770 52.037 0.069 0.000 0.791 489 A CB 0.194 19.294 19.000 0.167 0.000 1.029 489 A HN 0.639 nan 8.150 nan 0.000 0.489 490 W N 2.324 123.504 121.300 -0.201 0.000 2.318 490 W HA 0.444 5.104 4.660 0.001 0.000 0.315 490 W C -0.314 176.121 176.519 -0.139 0.000 1.033 490 W CA -0.251 57.028 57.345 -0.110 0.000 1.275 490 W CB 0.561 29.862 29.460 -0.265 0.000 1.250 490 W HN 0.587 nan 8.180 nan 0.000 0.421 491 H N 2.803 122.137 119.070 0.441 0.000 2.744 491 H HA 0.365 4.922 4.556 0.001 0.000 0.339 491 H C 0.269 175.627 175.328 0.051 0.000 1.004 491 H CA -0.879 55.325 56.048 0.261 0.000 1.257 491 H CB 1.808 31.646 29.762 0.126 0.000 1.552 491 H HN 0.169 nan 8.280 nan 0.000 0.522 492 R N 1.340 121.778 120.500 -0.103 0.000 2.643 492 R HA -0.031 4.310 4.340 0.001 0.000 0.270 492 R C 0.479 176.697 176.300 -0.136 0.000 1.061 492 R CA -0.360 55.511 56.100 -0.382 0.000 1.107 492 R CB 0.767 30.704 30.300 -0.606 0.000 0.999 492 R HN 0.580 nan 8.270 nan 0.000 0.460 493 D N 0.515 120.843 120.400 -0.121 0.000 2.221 493 D HA -0.145 4.496 4.640 0.001 0.000 0.204 493 D C 1.520 177.842 176.300 0.036 0.000 0.982 493 D CA 1.838 55.821 54.000 -0.027 0.000 0.857 493 D CB -0.041 40.764 40.800 0.009 0.000 0.934 493 D HN 0.534 nan 8.370 nan 0.000 0.475 494 S N -0.437 115.298 115.700 0.059 0.000 2.593 494 S HA 0.052 4.523 4.470 0.001 0.000 0.217 494 S C 1.571 176.236 174.600 0.109 0.000 0.966 494 S CA -0.114 58.198 58.200 0.187 0.000 0.914 494 S CB 0.102 63.387 63.200 0.142 0.000 0.776 494 S HN 0.172 nan 8.310 nan 0.000 0.523 495 E N 1.029 121.235 120.200 0.009 0.000 2.130 495 E HA -0.128 4.223 4.350 0.001 0.000 0.196 495 E C 1.972 178.526 176.600 -0.076 0.000 0.998 495 E CA 1.264 57.663 56.400 -0.001 0.000 0.806 495 E CB -0.352 29.370 29.700 0.037 0.000 0.738 495 E HN 0.413 nan 8.360 nan 0.000 0.459 496 V N 0.237 120.015 119.914 -0.228 0.000 2.332 496 V HA -0.266 3.855 4.120 0.001 0.000 0.248 496 V C 1.702 177.554 176.094 -0.404 0.000 1.055 496 V CA 1.805 63.870 62.300 -0.391 0.000 1.038 496 V CB -0.331 31.141 31.823 -0.585 0.000 0.651 496 V HN 0.243 nan 8.190 nan 0.000 0.450 497 F N 0.224 120.161 119.950 -0.021 0.000 2.234 497 F HA -0.024 4.504 4.527 0.001 0.000 0.296 497 F C 2.414 178.212 175.800 -0.003 0.000 1.089 497 F CA 1.450 59.439 58.000 -0.019 0.000 1.343 497 F CB -0.382 38.601 39.000 -0.028 0.000 1.040 497 F HN 0.160 nan 8.300 nan 0.000 0.498 498 E N 0.238 120.531 120.200 0.156 0.000 2.153 498 E HA -0.234 4.117 4.350 0.001 0.000 0.194 498 E C 2.061 178.701 176.600 0.067 0.000 0.988 498 E CA 1.175 57.636 56.400 0.101 0.000 0.811 498 E CB -0.214 29.534 29.700 0.080 0.000 0.746 498 E HN 0.536 nan 8.360 nan 0.000 0.466 499 Q N 0.089 119.910 119.800 0.035 0.000 2.172 499 Q HA -0.085 4.256 4.340 0.001 0.000 0.200 499 Q C 2.165 178.183 176.000 0.030 0.000 0.964 499 Q CA 0.796 56.612 55.803 0.021 0.000 0.855 499 Q CB 0.082 28.812 28.738 -0.013 0.000 0.918 499 Q HN 0.290 nan 8.270 nan 0.000 0.444 500 L N -0.384 120.863 121.223 0.041 0.000 2.072 500 L HA -0.132 4.209 4.340 0.001 0.000 0.205 500 L C 2.366 179.282 176.870 0.076 0.000 1.079 500 L CA 0.584 55.461 54.840 0.061 0.000 0.752 500 L CB -0.283 41.826 42.059 0.083 0.000 0.906 500 L HN 0.322 nan 8.230 nan 0.000 0.436 501 M N -0.462 119.190 119.600 0.087 0.000 2.108 501 M HA -0.224 4.257 4.480 0.001 0.000 0.261 501 M C 1.842 178.179 176.300 0.062 0.000 1.066 501 M CA 1.635 56.982 55.300 0.078 0.000 1.107 501 M CB -1.072 31.575 32.600 0.079 0.000 1.356 501 M HN 0.218 nan 8.290 nan 0.000 0.406 502 D N -0.118 120.315 120.400 0.056 0.000 2.117 502 D HA -0.131 4.510 4.640 0.001 0.000 0.197 502 D C 2.165 178.491 176.300 0.044 0.000 0.987 502 D CA 1.121 55.150 54.000 0.048 0.000 0.829 502 D CB -0.229 40.598 40.800 0.045 0.000 0.961 502 D HN 0.377 nan 8.370 nan 0.000 0.460 503 R N 0.314 120.841 120.500 0.045 0.000 2.081 503 R HA -0.005 4.336 4.340 0.001 0.000 0.235 503 R C 2.421 178.749 176.300 0.047 0.000 1.131 503 R CA 1.145 57.271 56.100 0.043 0.000 0.960 503 R CB -0.209 30.118 30.300 0.045 0.000 0.856 503 R HN 0.010 nan 8.270 nan 0.000 0.436 504 S N -0.283 115.449 115.700 0.054 0.000 2.428 504 S HA -0.068 4.402 4.470 0.001 0.000 0.230 504 S C 1.795 176.422 174.600 0.044 0.000 1.014 504 S CA 1.227 59.459 58.200 0.053 0.000 0.957 504 S CB 0.028 63.267 63.200 0.066 0.000 0.784 504 S HN 0.329 nan 8.310 nan 0.000 0.499 505 T N 1.936 116.515 114.554 0.042 0.000 2.985 505 T HA -0.040 4.311 4.350 0.001 0.000 0.266 505 T C 2.253 176.972 174.700 0.032 0.000 1.076 505 T CA 1.208 63.330 62.100 0.037 0.000 1.135 505 T CB -0.253 68.638 68.868 0.039 0.000 0.890 505 T HN 0.625 nan 8.240 nan 0.000 0.480 506 S N 1.571 117.290 115.700 0.032 0.000 2.383 506 S HA -0.029 4.442 4.470 0.001 0.000 0.227 506 S C 1.204 175.818 174.600 0.025 0.000 1.026 506 S CA 0.565 58.782 58.200 0.028 0.000 0.981 506 S CB -1.021 62.196 63.200 0.029 0.000 0.818 506 S HN 0.417 nan 8.310 nan 0.000 0.472 507 V N 0.910 120.839 119.914 0.025 0.000 3.264 507 V HA 0.540 4.661 4.120 0.001 0.000 0.304 507 V C 1.629 177.734 176.094 0.019 0.000 1.086 507 V CA -0.179 62.134 62.300 0.022 0.000 1.090 507 V CB 0.799 32.636 31.823 0.023 0.000 1.112 507 V HN 0.450 nan 8.190 nan 0.000 0.472 508 S N -0.149 115.560 115.700 0.015 0.000 2.371 508 S HA -0.006 4.465 4.470 0.001 0.000 0.224 508 S C 0.708 175.315 174.600 0.011 0.000 1.029 508 S CA 0.903 59.110 58.200 0.012 0.000 0.978 508 S CB -0.377 62.829 63.200 0.009 0.000 0.833 508 S HN 0.911 nan 8.310 nan 0.000 0.466 509 E N 1.269 121.475 120.200 0.011 0.000 2.151 509 E HA 0.366 4.716 4.350 0.001 0.000 0.275 509 E C -0.526 176.083 176.600 0.015 0.000 0.936 509 E CA -0.832 55.574 56.400 0.010 0.000 0.777 509 E CB 1.216 30.918 29.700 0.004 0.000 1.108 509 E HN 0.348 nan 8.360 nan 0.000 0.401 510 R N 4.849 125.360 120.500 0.018 0.000 2.537 510 R HA 0.161 4.502 4.340 0.001 0.000 0.280 510 R C -2.147 174.168 176.300 0.025 0.000 1.058 510 R CA -1.072 55.043 56.100 0.025 0.000 1.057 510 R CB 0.331 30.647 30.300 0.026 0.000 0.973 510 R HN 0.273 nan 8.270 nan 0.000 0.438 511 P HA 0.028 nan 4.420 nan 0.000 0.268 511 P C -1.407 175.905 177.300 0.019 0.000 1.208 511 P CA 0.150 63.265 63.100 0.026 0.000 0.777 511 P CB 0.488 32.211 31.700 0.038 0.000 0.875 512 K N -0.628 119.769 120.400 -0.005 0.000 2.512 512 K HA 0.737 5.057 4.320 0.001 0.000 0.263 512 K C -1.720 174.819 176.600 -0.101 0.000 0.966 512 K CA -1.132 55.140 56.287 -0.026 0.000 0.851 512 K CB 1.541 34.049 32.500 0.013 0.000 1.395 512 K HN 0.048 nan 8.250 nan 0.000 0.440 513 V N 2.298 122.087 119.914 -0.208 0.000 2.525 513 V HA 0.340 4.461 4.120 0.001 0.000 0.299 513 V C -1.296 174.701 176.094 -0.162 0.000 1.034 513 V CA -0.776 61.289 62.300 -0.391 0.000 0.863 513 V CB 1.266 32.355 31.823 -1.224 0.000 0.999 513 V HN 0.757 nan 8.190 nan 0.000 0.423 514 F N 6.049 125.942 119.950 -0.094 0.000 2.438 514 F HA 0.548 5.076 4.527 0.001 0.000 0.356 514 F C -0.072 175.722 175.800 -0.010 0.000 1.099 514 F CA -0.410 57.601 58.000 0.018 0.000 1.185 514 F CB 0.699 39.840 39.000 0.236 0.000 1.115 514 F HN 0.336 nan 8.300 nan 0.000 0.526 515 L N 7.346 128.185 121.223 -0.641 0.000 2.261 515 L HA 0.413 4.754 4.340 0.001 0.000 0.289 515 L C 0.227 176.692 176.870 -0.674 0.000 1.059 515 L CA -0.844 53.722 54.840 -0.456 0.000 0.816 515 L CB 0.911 42.809 42.059 -0.267 0.000 1.191 515 L HN 0.796 nan 8.230 nan 0.000 0.431 516 A N 3.721 126.385 122.820 -0.259 0.000 2.922 516 A HA 0.330 4.650 4.320 0.001 0.000 0.298 516 A C 0.078 177.573 177.584 -0.149 0.000 1.588 516 A CA -0.418 51.566 52.037 -0.089 0.000 1.288 516 A CB -0.476 18.608 19.000 0.141 0.000 1.130 516 A HN 0.777 nan 8.150 nan 0.000 0.557 517 C N 3.230 122.315 119.300 -0.358 0.000 2.482 517 C HA 0.469 4.930 4.460 0.001 0.000 0.378 517 C C 0.568 175.340 174.990 -0.362 0.000 1.284 517 C CA -0.420 58.239 59.018 -0.598 0.000 1.826 517 C CB -1.192 25.623 27.740 -1.541 0.000 2.473 517 C HN 0.689 nan 8.230 nan 0.000 0.562 518 L N 3.959 125.126 121.223 -0.093 0.000 2.331 518 L HA 0.804 5.145 4.340 0.001 0.000 0.275 518 L C 0.889 177.865 176.870 0.176 0.000 1.022 518 L CA 0.175 55.042 54.840 0.045 0.000 0.812 518 L CB 0.757 42.830 42.059 0.023 0.000 1.257 518 L HN 0.988 nan 8.230 nan 0.000 0.435 519 G N 1.466 110.350 108.800 0.139 0.000 2.584 519 G HA2 -0.206 3.755 3.960 0.001 0.000 0.229 519 G HA3 -0.206 3.755 3.960 0.001 0.000 0.229 519 G C -0.157 174.859 174.900 0.194 0.000 1.320 519 G CA -0.211 44.959 45.100 0.117 0.000 0.891 519 G HN 0.916 nan 8.290 nan 0.000 0.573 520 T N -2.386 112.199 114.554 0.052 0.000 2.912 520 T HA 0.622 4.972 4.350 0.001 0.000 0.280 520 T C 1.482 175.920 174.700 -0.437 0.000 0.989 520 T CA 0.606 62.668 62.100 -0.063 0.000 0.995 520 T CB 1.863 70.677 68.868 -0.090 0.000 1.077 520 T HN 1.008 nan 8.240 nan 0.000 0.531 521 R N 0.118 120.221 120.500 -0.662 0.000 2.105 521 R HA -0.082 4.259 4.340 0.001 0.000 0.239 521 R C 2.579 178.498 176.300 -0.636 0.000 1.135 521 R CA 1.323 56.791 56.100 -1.054 0.000 0.967 521 R CB -0.234 29.730 30.300 -0.560 0.000 0.861 521 R HN 0.675 nan 8.270 nan 0.000 0.442 522 R N 0.134 120.431 120.500 -0.339 0.000 2.103 522 R HA -0.148 4.192 4.340 0.001 0.000 0.242 522 R C 1.635 177.819 176.300 -0.193 0.000 1.142 522 R CA 1.959 57.931 56.100 -0.214 0.000 0.960 522 R CB -0.188 30.028 30.300 -0.142 0.000 0.858 522 R HN 0.450 nan 8.270 nan 0.000 0.439 523 D N -0.145 120.135 120.400 -0.199 0.000 2.120 523 D HA -0.123 4.518 4.640 0.001 0.000 0.202 523 D C 1.677 177.928 176.300 -0.082 0.000 0.972 523 D CA 1.153 55.076 54.000 -0.129 0.000 0.837 523 D CB -0.181 40.567 40.800 -0.087 0.000 0.989 523 D HN 0.319 nan 8.370 nan 0.000 0.469 524 F N 0.593 120.496 119.950 -0.078 0.000 2.698 524 F HA 0.448 4.976 4.527 0.001 0.000 0.295 524 F C 2.032 177.817 175.800 -0.025 0.000 1.124 524 F CA 0.079 58.037 58.000 -0.070 0.000 1.426 524 F CB -0.920 38.047 39.000 -0.055 0.000 1.120 524 F HN -0.138 nan 8.300 nan 0.000 0.583 525 G N 1.451 110.222 108.800 -0.049 0.000 2.513 525 G HA2 -0.268 3.693 3.960 0.001 0.000 0.219 525 G HA3 -0.268 3.693 3.960 0.001 0.000 0.219 525 G C 1.881 176.846 174.900 0.109 0.000 1.160 525 G CA 1.149 46.267 45.100 0.030 0.000 0.767 525 G HN 0.628 nan 8.290 nan 0.000 0.571 526 G N 0.458 109.298 108.800 0.068 0.000 2.480 526 G HA2 -0.196 3.765 3.960 0.001 0.000 0.216 526 G HA3 -0.196 3.765 3.960 0.001 0.000 0.216 526 G C 1.998 176.978 174.900 0.134 0.000 1.200 526 G CA 1.155 46.304 45.100 0.081 0.000 0.782 526 G HN 0.378 nan 8.290 nan 0.000 0.554 527 R N 0.199 120.779 120.500 0.133 0.000 2.115 527 R HA 0.063 4.404 4.340 0.001 0.000 0.230 527 R C 2.442 178.873 176.300 0.219 0.000 1.111 527 R CA 0.985 57.191 56.100 0.177 0.000 0.976 527 R CB -0.370 30.030 30.300 0.166 0.000 0.870 527 R HN 0.395 nan 8.270 nan 0.000 0.445 528 E N -0.210 120.117 120.200 0.213 0.000 2.047 528 E HA -0.089 4.262 4.350 0.001 0.000 0.191 528 E C 1.900 178.594 176.600 0.157 0.000 0.987 528 E CA 1.523 58.030 56.400 0.177 0.000 0.799 528 E CB -0.325 29.514 29.700 0.232 0.000 0.752 528 E HN 0.358 nan 8.360 nan 0.000 0.449 529 G N 0.208 109.116 108.800 0.179 0.000 2.442 529 G HA2 -0.282 3.679 3.960 0.001 0.000 0.219 529 G HA3 -0.282 3.679 3.960 0.001 0.000 0.219 529 G C 1.506 176.499 174.900 0.156 0.000 1.141 529 G CA 0.805 46.010 45.100 0.174 0.000 0.763 529 G HN 0.365 nan 8.290 nan 0.000 0.554 530 F N 1.685 121.639 119.950 0.006 0.000 2.219 530 F HA 0.090 4.618 4.527 0.001 0.000 0.294 530 F C 2.804 178.512 175.800 -0.154 0.000 1.086 530 F CA 1.550 59.502 58.000 -0.080 0.000 1.330 530 F CB 0.004 38.973 39.000 -0.052 0.000 1.047 530 F HN 0.126 nan 8.300 nan 0.000 0.495 531 S N -0.625 115.052 115.700 -0.038 0.000 2.371 531 S HA -0.170 4.301 4.470 0.001 0.000 0.224 531 S C 2.167 176.601 174.600 -0.277 0.000 1.029 531 S CA 1.128 59.228 58.200 -0.167 0.000 0.978 531 S CB -0.646 62.632 63.200 0.131 0.000 0.833 531 S HN 0.450 nan 8.310 nan 0.000 0.466 532 S N 2.051 117.665 115.700 -0.142 0.000 2.377 532 S HA -0.091 4.379 4.470 0.001 0.000 0.224 532 S C -0.854 173.356 174.600 -0.650 0.000 1.042 532 S CA 1.646 59.684 58.200 -0.269 0.000 1.086 532 S CB -1.199 61.939 63.200 -0.103 0.000 0.995 532 S HN 0.285 nan 8.310 nan 0.000 0.428 533 P HA -0.059 nan 4.420 nan 0.000 0.216 533 P C 1.590 178.601 177.300 -0.483 0.000 1.150 533 P CA 0.956 63.813 63.100 -0.405 0.000 0.843 533 P CB -0.175 31.228 31.700 -0.496 0.000 0.787 534 V N -1.701 117.817 119.914 -0.660 0.000 2.287 534 V HA -0.235 3.886 4.120 0.001 0.000 0.248 534 V C 2.135 177.887 176.094 -0.569 0.000 1.053 534 V CA 1.866 63.743 62.300 -0.704 0.000 1.027 534 V CB -1.622 29.622 31.823 -0.964 0.000 0.646 534 V HN 0.153 nan 8.190 nan 0.000 0.447 535 W N -0.203 120.923 121.300 -0.289 0.000 2.358 535 W HA -0.148 4.512 4.660 0.001 0.000 0.303 535 W C 2.540 179.026 176.519 -0.055 0.000 1.208 535 W CA 1.451 58.690 57.345 -0.178 0.000 1.274 535 W CB -0.681 28.680 29.460 -0.166 0.000 1.138 535 W HN 0.364 nan 8.180 nan 0.000 0.515 536 H N -0.099 119.029 119.070 0.097 0.000 2.489 536 H HA -0.136 4.421 4.556 0.001 0.000 0.293 536 H C 2.014 177.335 175.328 -0.012 0.000 1.066 536 H CA 1.121 57.193 56.048 0.039 0.000 1.305 536 H CB -0.303 29.467 29.762 0.012 0.000 1.386 536 H HN 0.196 nan 8.280 nan 0.000 0.551 537 I N 0.748 121.329 120.570 0.019 0.000 2.208 537 I HA -0.258 3.913 4.170 0.001 0.000 0.245 537 I C 2.371 178.523 176.117 0.059 0.000 1.097 537 I CA 1.145 62.422 61.300 -0.039 0.000 1.363 537 I CB -0.158 37.759 38.000 -0.138 0.000 1.051 537 I HN 0.305 nan 8.210 nan 0.000 0.413 538 A N 0.114 122.992 122.820 0.097 0.000 2.307 538 A HA 0.413 4.734 4.320 0.001 0.000 0.218 538 A C 1.583 179.237 177.584 0.117 0.000 1.228 538 A CA 0.555 52.663 52.037 0.118 0.000 0.857 538 A CB -0.374 18.701 19.000 0.125 0.000 0.897 538 A HN 0.567 nan 8.150 nan 0.000 0.495 539 G N -0.347 108.526 108.800 0.121 0.000 2.182 539 G HA2 -0.208 3.752 3.960 0.001 0.000 0.248 539 G HA3 -0.208 3.752 3.960 0.001 0.000 0.248 539 G C -0.058 174.915 174.900 0.122 0.000 1.042 539 G CA 0.263 45.425 45.100 0.102 0.000 0.775 539 G HN 0.466 nan 8.290 nan 0.000 0.501 540 I N 0.966 121.647 120.570 0.184 0.000 2.331 540 I HA 0.242 4.413 4.170 0.001 0.000 0.292 540 I C 0.238 176.482 176.117 0.211 0.000 0.998 540 I CA -0.840 60.564 61.300 0.173 0.000 1.267 540 I CB 0.853 38.980 38.000 0.213 0.000 1.386 540 I HN -0.018 nan 8.210 nan 0.000 0.476 541 D N 3.956 124.429 120.400 0.120 0.000 2.368 541 D HA 0.136 4.777 4.640 0.001 0.000 0.240 541 D C 0.308 176.683 176.300 0.124 0.000 1.169 541 D CA 0.430 54.503 54.000 0.121 0.000 0.906 541 D CB 1.141 41.977 40.800 0.060 0.000 1.187 541 D HN 0.555 nan 8.370 nan 0.000 0.435 542 T N -1.415 113.236 114.554 0.162 0.000 3.410 542 T HA 0.365 4.716 4.350 0.001 0.000 0.328 542 T C -2.573 172.152 174.700 0.041 0.000 1.567 542 T CA -1.558 60.595 62.100 0.087 0.000 1.626 542 T CB 1.050 70.009 68.868 0.152 0.000 0.939 542 T HN 0.081 nan 8.240 nan 0.000 0.656 543 P HA 0.245 nan 4.420 nan 0.000 0.269 543 P C -0.523 176.688 177.300 -0.148 0.000 1.215 543 P CA 0.052 63.191 63.100 0.065 0.000 0.780 543 P CB 0.809 32.636 31.700 0.213 0.000 0.898 544 Q N -0.239 119.418 119.800 -0.239 0.000 2.685 544 Q HA 0.706 5.047 4.340 0.001 0.000 0.301 544 Q C -1.981 173.814 176.000 -0.342 0.000 0.924 544 Q CA -1.142 54.286 55.803 -0.626 0.000 0.755 544 Q CB 1.706 30.224 28.738 -0.367 0.000 1.470 544 Q HN 0.255 nan 8.270 nan 0.000 0.434 545 V N -0.085 119.604 119.914 -0.374 0.000 2.789 545 V HA 0.353 4.474 4.120 0.001 0.000 0.311 545 V C -1.264 174.721 176.094 -0.181 0.000 1.073 545 V CA -0.457 61.800 62.300 -0.073 0.000 0.921 545 V CB 2.102 34.026 31.823 0.169 0.000 1.009 545 V HN 0.858 nan 8.190 nan 0.000 0.426 546 E N 5.054 125.215 120.200 -0.065 0.000 1.964 546 E HA 0.473 4.823 4.350 0.001 0.000 0.264 546 E C 0.656 177.312 176.600 0.094 0.000 1.120 546 E CA 0.613 57.008 56.400 -0.009 0.000 1.061 546 E CB 0.539 30.375 29.700 0.227 0.000 1.190 546 E HN 1.223 nan 8.360 nan 0.000 0.459 547 G N 1.883 110.677 108.800 -0.011 0.000 2.645 547 G HA2 -0.045 3.915 3.960 0.001 0.000 0.246 547 G HA3 -0.045 3.915 3.960 0.001 0.000 0.246 547 G C 0.322 175.272 174.900 0.083 0.000 1.322 547 G CA -0.523 44.634 45.100 0.096 0.000 0.898 547 G HN 1.001 nan 8.290 nan 0.000 0.573 548 G N -3.335 105.517 108.800 0.086 0.000 2.353 548 G HA2 0.559 4.519 3.960 0.001 0.000 0.615 548 G HA3 0.559 4.519 3.960 0.001 0.000 0.615 548 G C 0.272 175.210 174.900 0.062 0.000 1.280 548 G CA 0.630 45.772 45.100 0.071 0.000 1.000 548 G HN 2.860 nan 8.290 nan 0.000 0.516 549 T N -2.189 112.398 114.554 0.054 0.000 2.766 549 T HA 0.499 4.850 4.350 0.001 0.000 0.295 549 T C 1.739 176.472 174.700 0.054 0.000 1.024 549 T CA 1.106 63.234 62.100 0.048 0.000 1.018 549 T CB 0.934 69.827 68.868 0.041 0.000 1.002 549 T HN 1.011 nan 8.240 nan 0.000 0.532 550 T N 1.313 115.897 114.554 0.050 0.000 2.699 550 T HA -0.108 4.243 4.350 0.001 0.000 0.268 550 T C 2.343 177.075 174.700 0.054 0.000 1.036 550 T CA 1.650 63.782 62.100 0.053 0.000 1.147 550 T CB -0.906 67.989 68.868 0.045 0.000 0.862 550 T HN 0.796 nan 8.240 nan 0.000 0.446 551 A N 1.405 124.253 122.820 0.047 0.000 1.877 551 A HA -0.133 4.187 4.320 0.001 0.000 0.216 551 A C 2.197 179.812 177.584 0.052 0.000 1.186 551 A CA 1.734 53.797 52.037 0.044 0.000 0.620 551 A CB -0.576 18.445 19.000 0.035 0.000 0.822 551 A HN 0.577 nan 8.150 nan 0.000 0.443 552 E N -0.314 119.920 120.200 0.057 0.000 2.058 552 E HA -0.191 4.160 4.350 0.001 0.000 0.194 552 E C 1.889 178.545 176.600 0.094 0.000 0.997 552 E CA 1.399 57.839 56.400 0.067 0.000 0.801 552 E CB -0.361 29.378 29.700 0.064 0.000 0.746 552 E HN 0.681 nan 8.360 nan 0.000 0.450 553 I N 0.581 121.215 120.570 0.107 0.000 2.091 553 I HA -0.317 3.854 4.170 0.001 0.000 0.239 553 I C 2.395 178.605 176.117 0.154 0.000 1.061 553 I CA 1.054 62.449 61.300 0.159 0.000 1.317 553 I CB -0.353 37.728 38.000 0.134 0.000 1.031 553 I HN -0.003 nan 8.210 nan 0.000 0.401 554 V N 0.627 120.603 119.914 0.104 0.000 2.332 554 V HA -0.313 3.808 4.120 0.001 0.000 0.248 554 V C 2.542 178.684 176.094 0.081 0.000 1.055 554 V CA 2.296 64.657 62.300 0.102 0.000 1.038 554 V CB -0.696 31.171 31.823 0.074 0.000 0.651 554 V HN 0.483 nan 8.190 nan 0.000 0.450 555 E N 0.833 121.062 120.200 0.048 0.000 2.077 555 E HA -0.160 4.191 4.350 0.001 0.000 0.193 555 E C 2.098 178.689 176.600 -0.015 0.000 0.989 555 E CA 1.766 58.173 56.400 0.012 0.000 0.800 555 E CB -0.549 29.163 29.700 0.020 0.000 0.746 555 E HN 0.490 nan 8.360 nan 0.000 0.452 556 A N 0.288 123.131 122.820 0.038 0.000 1.858 556 A HA -0.142 4.178 4.320 0.001 0.000 0.216 556 A C 2.262 179.721 177.584 -0.208 0.000 1.190 556 A CA 1.590 53.665 52.037 0.064 0.000 0.617 556 A CB -1.206 17.949 19.000 0.258 0.000 0.827 556 A HN 0.469 nan 8.150 nan 0.000 0.443 557 F N 0.978 120.530 119.950 -0.663 0.000 2.065 557 F HA -0.244 4.284 4.527 0.001 0.000 0.298 557 F C 2.125 177.555 175.800 -0.615 0.000 1.112 557 F CA 2.411 59.650 58.000 -1.268 0.000 1.212 557 F CB -0.436 38.091 39.000 -0.788 0.000 0.975 557 F HN 0.169 nan 8.300 nan 0.000 0.476 558 K N -0.070 120.030 120.400 -0.500 0.000 2.063 558 K HA -0.240 4.081 4.320 0.001 0.000 0.208 558 K C 2.118 178.502 176.600 -0.361 0.000 1.048 558 K CA 1.811 57.823 56.287 -0.458 0.000 0.928 558 K CB -0.306 32.085 32.500 -0.183 0.000 0.713 558 K HN 0.081 nan 8.250 nan 0.000 0.442 559 K N 1.025 121.281 120.400 -0.239 0.000 2.147 559 K HA -0.109 4.212 4.320 0.001 0.000 0.205 559 K C 1.970 178.475 176.600 -0.158 0.000 1.049 559 K CA 1.717 57.913 56.287 -0.151 0.000 0.936 559 K CB -0.200 32.257 32.500 -0.072 0.000 0.722 559 K HN 0.170 nan 8.250 nan 0.000 0.446 560 S N -1.025 114.545 115.700 -0.217 0.000 2.447 560 S HA -0.007 4.463 4.470 0.001 0.000 0.233 560 S C 1.559 176.062 174.600 -0.162 0.000 1.006 560 S CA 0.975 59.100 58.200 -0.125 0.000 0.957 560 S CB -0.616 62.559 63.200 -0.042 0.000 0.773 560 S HN 0.553 nan 8.310 nan 0.000 0.507 561 G N 0.798 109.427 108.800 -0.285 0.000 2.143 561 G HA2 -0.083 3.877 3.960 0.001 0.000 0.248 561 G HA3 -0.083 3.877 3.960 0.001 0.000 0.248 561 G C 0.202 174.950 174.900 -0.252 0.000 0.991 561 G CA 0.174 45.120 45.100 -0.256 0.000 0.689 561 G HN 1.330 nan 8.290 nan 0.000 0.522 562 A N -0.719 121.910 122.820 -0.319 0.000 2.371 562 A HA 0.710 5.031 4.320 0.001 0.000 0.257 562 A C 1.066 178.568 177.584 -0.136 0.000 1.089 562 A CA 0.736 52.689 52.037 -0.140 0.000 0.794 562 A CB 0.468 19.505 19.000 0.063 0.000 1.029 562 A HN 0.492 nan 8.150 nan 0.000 0.488 563 Q N 0.230 120.054 119.800 0.040 0.000 2.378 563 Q HA 0.229 4.569 4.340 0.001 0.000 0.216 563 Q C -0.526 175.615 176.000 0.236 0.000 0.892 563 Q CA 0.326 56.200 55.803 0.119 0.000 0.931 563 Q CB 0.725 29.501 28.738 0.063 0.000 1.086 563 Q HN 0.460 nan 8.270 nan 0.000 0.528 564 V N 0.649 120.696 119.914 0.222 0.000 2.604 564 V HA 0.732 4.852 4.120 0.001 0.000 0.305 564 V C -0.822 175.394 176.094 0.202 0.000 1.043 564 V CA -0.790 61.616 62.300 0.176 0.000 0.888 564 V CB 1.704 33.593 31.823 0.109 0.000 0.995 564 V HN 0.185 nan 8.190 nan 0.000 0.429 565 A N 2.886 125.781 122.820 0.124 0.000 2.350 565 A HA 0.857 5.178 4.320 0.001 0.000 0.318 565 A C -1.257 176.425 177.584 0.163 0.000 1.132 565 A CA -0.504 51.610 52.037 0.129 0.000 0.811 565 A CB 1.690 20.664 19.000 -0.044 0.000 1.313 565 A HN 0.751 nan 8.150 nan 0.000 0.454 566 D N 0.997 121.490 120.400 0.155 0.000 2.549 566 D HA 0.471 5.112 4.640 0.001 0.000 0.251 566 D C -1.069 175.350 176.300 0.198 0.000 1.153 566 D CA -0.176 53.979 54.000 0.258 0.000 0.861 566 D CB 0.811 41.804 40.800 0.322 0.000 1.207 566 D HN 0.399 nan 8.370 nan 0.000 0.543 567 L N 3.116 124.477 121.223 0.230 0.000 2.319 567 L HA 0.440 4.781 4.340 0.001 0.000 0.280 567 L C -0.336 176.731 176.870 0.329 0.000 1.099 567 L CA -0.587 54.401 54.840 0.247 0.000 0.828 567 L CB 1.029 43.270 42.059 0.303 0.000 1.150 567 L HN 0.404 nan 8.230 nan 0.000 0.442 568 C N 2.660 122.105 119.300 0.241 0.000 2.397 568 C HA 0.768 5.229 4.460 0.001 0.000 0.325 568 C C 0.208 175.243 174.990 0.075 0.000 1.201 568 C CA -0.460 58.691 59.018 0.222 0.000 1.377 568 C CB 1.042 28.854 27.740 0.119 0.000 2.038 568 C HN 0.909 nan 8.230 nan 0.000 0.457 569 S N 1.255 116.876 115.700 -0.132 0.000 2.683 569 S HA 0.694 5.165 4.470 0.001 0.000 0.269 569 S C -0.421 173.811 174.600 -0.614 0.000 1.165 569 S CA -0.102 57.879 58.200 -0.365 0.000 0.840 569 S CB 1.125 64.041 63.200 -0.473 0.000 1.169 569 S HN 1.071 nan 8.310 nan 0.000 0.490 570 S N 1.123 116.552 115.700 -0.452 0.000 2.655 570 S HA 0.715 5.185 4.470 0.001 0.000 0.265 570 S C 1.460 175.793 174.600 -0.444 0.000 1.240 570 S CA -0.006 57.997 58.200 -0.329 0.000 0.986 570 S CB 0.742 63.835 63.200 -0.179 0.000 0.985 570 S HN 1.327 nan 8.310 nan 0.000 0.562 571 A N 1.092 123.819 122.820 -0.155 0.000 1.855 571 A HA -0.068 4.252 4.320 0.001 0.000 0.215 571 A C 2.142 179.689 177.584 -0.061 0.000 1.191 571 A CA 1.818 53.849 52.037 -0.010 0.000 0.613 571 A CB -1.160 17.875 19.000 0.058 0.000 0.829 571 A HN 0.978 nan 8.150 nan 0.000 0.442 572 K N -0.250 120.107 120.400 -0.073 0.000 2.015 572 K HA -0.188 4.133 4.320 0.001 0.000 0.216 572 K C 1.756 178.305 176.600 -0.085 0.000 1.052 572 K CA 2.294 58.544 56.287 -0.061 0.000 0.937 572 K CB -0.488 31.979 32.500 -0.056 0.000 0.719 572 K HN 0.186 nan 8.250 nan 0.000 0.446 573 V N 0.671 120.503 119.914 -0.136 0.000 2.392 573 V HA -0.256 3.865 4.120 0.001 0.000 0.249 573 V C 2.062 178.060 176.094 -0.161 0.000 1.059 573 V CA 1.848 64.064 62.300 -0.140 0.000 1.051 573 V CB -0.716 31.017 31.823 -0.150 0.000 0.658 573 V HN 0.384 nan 8.190 nan 0.000 0.455 574 Y N 0.346 120.489 120.300 -0.261 0.000 2.165 574 Y HA -0.286 4.265 4.550 0.001 0.000 0.286 574 Y C 2.605 178.174 175.900 -0.550 0.000 1.155 574 Y CA 0.994 58.733 58.100 -0.601 0.000 1.164 574 Y CB -0.384 37.572 38.460 -0.841 0.000 0.978 574 Y HN 0.266 nan 8.280 nan 0.000 0.513 575 A N 0.258 123.006 122.820 -0.120 0.000 1.877 575 A HA -0.276 4.045 4.320 0.001 0.000 0.216 575 A C 2.021 179.597 177.584 -0.012 0.000 1.186 575 A CA 2.025 54.047 52.037 -0.025 0.000 0.620 575 A CB -0.748 18.258 19.000 0.009 0.000 0.822 575 A HN 0.540 nan 8.150 nan 0.000 0.443 576 Q N -0.824 118.961 119.800 -0.024 0.000 2.049 576 Q HA -0.158 4.183 4.340 0.001 0.000 0.198 576 Q C 1.793 177.797 176.000 0.007 0.000 0.971 576 Q CA 1.600 57.400 55.803 -0.005 0.000 0.833 576 Q CB -0.102 28.630 28.738 -0.010 0.000 0.896 576 Q HN 0.973 nan 8.270 nan 0.000 0.434 577 Q N -1.441 118.360 119.800 0.001 0.000 2.140 577 Q HA 0.282 4.623 4.340 0.001 0.000 0.227 577 Q C 1.555 177.589 176.000 0.058 0.000 0.798 577 Q CA 0.281 56.103 55.803 0.032 0.000 0.987 577 Q CB 0.353 29.110 28.738 0.032 0.000 1.161 577 Q HN 0.196 nan 8.270 nan 0.000 0.480 578 G N 2.457 111.265 108.800 0.013 0.000 2.599 578 G HA2 -0.341 3.620 3.960 0.001 0.000 0.219 578 G HA3 -0.341 3.620 3.960 0.001 0.000 0.219 578 G C 1.290 176.367 174.900 0.294 0.000 1.193 578 G CA 1.399 46.536 45.100 0.062 0.000 0.778 578 G HN 0.317 nan 8.290 nan 0.000 0.589 579 L N 0.686 122.103 121.223 0.323 0.000 2.046 579 L HA 0.028 4.368 4.340 0.001 0.000 0.208 579 L C 2.682 179.633 176.870 0.136 0.000 1.077 579 L CA 2.718 57.709 54.840 0.251 0.000 0.747 579 L CB -0.654 41.530 42.059 0.209 0.000 0.896 579 L HN 0.517 nan 8.230 nan 0.000 0.432 580 E N -0.679 119.585 120.200 0.107 0.000 2.023 580 E HA -0.213 4.138 4.350 0.001 0.000 0.196 580 E C 2.020 178.661 176.600 0.068 0.000 1.003 580 E CA 2.239 58.681 56.400 0.071 0.000 0.809 580 E CB -0.175 29.561 29.700 0.060 0.000 0.755 580 E HN 0.368 nan 8.360 nan 0.000 0.449 581 V N 1.696 121.659 119.914 0.083 0.000 2.287 581 V HA -0.312 3.809 4.120 0.001 0.000 0.248 581 V C 2.620 178.749 176.094 0.059 0.000 1.053 581 V CA 1.992 64.336 62.300 0.073 0.000 1.027 581 V CB -1.121 30.758 31.823 0.093 0.000 0.646 581 V HN 0.495 nan 8.190 nan 0.000 0.447 582 A N -0.040 122.837 122.820 0.095 0.000 1.873 582 A HA -0.311 4.010 4.320 0.001 0.000 0.218 582 A C 2.296 179.887 177.584 0.011 0.000 1.193 582 A CA 2.460 54.533 52.037 0.060 0.000 0.629 582 A CB -0.547 18.515 19.000 0.104 0.000 0.826 582 A HN 0.569 nan 8.150 nan 0.000 0.447 583 K N -0.477 119.937 120.400 0.024 0.000 2.026 583 K HA -0.058 4.263 4.320 0.001 0.000 0.208 583 K C 2.331 178.931 176.600 -0.000 0.000 1.048 583 K CA 1.259 57.550 56.287 0.006 0.000 0.929 583 K CB -0.376 32.134 32.500 0.016 0.000 0.713 583 K HN 0.449 nan 8.250 nan 0.000 0.439 584 A N 1.214 124.039 122.820 0.009 0.000 1.933 584 A HA -0.147 4.174 4.320 0.001 0.000 0.218 584 A C 2.132 179.704 177.584 -0.019 0.000 1.175 584 A CA 1.324 53.365 52.037 0.007 0.000 0.628 584 A CB -0.659 18.354 19.000 0.022 0.000 0.814 584 A HN 0.170 nan 8.150 nan 0.000 0.444 585 L N -1.239 119.939 121.223 -0.074 0.000 2.046 585 L HA -0.190 4.151 4.340 0.001 0.000 0.208 585 L C 2.615 179.387 176.870 -0.163 0.000 1.077 585 L CA 1.800 56.509 54.840 -0.218 0.000 0.747 585 L CB -0.333 41.520 42.059 -0.344 0.000 0.896 585 L HN 0.267 nan 8.230 nan 0.000 0.432 586 K N 0.131 120.475 120.400 -0.092 0.000 2.026 586 K HA -0.125 4.196 4.320 0.001 0.000 0.208 586 K C 2.109 178.704 176.600 -0.008 0.000 1.048 586 K CA 1.422 57.681 56.287 -0.047 0.000 0.929 586 K CB -0.442 32.034 32.500 -0.041 0.000 0.713 586 K HN 0.254 nan 8.250 nan 0.000 0.439 587 A N 0.614 123.433 122.820 -0.001 0.000 1.903 587 A HA -0.191 4.129 4.320 0.001 0.000 0.219 587 A C 2.183 179.790 177.584 0.038 0.000 1.191 587 A CA 2.234 54.281 52.037 0.015 0.000 0.638 587 A CB -1.085 17.924 19.000 0.015 0.000 0.823 587 A HN 0.382 nan 8.150 nan 0.000 0.451 588 A N -2.067 120.794 122.820 0.067 0.000 2.255 588 A HA 0.398 4.718 4.320 0.001 0.000 0.206 588 A C 1.730 179.416 177.584 0.169 0.000 1.193 588 A CA 1.265 53.376 52.037 0.123 0.000 0.794 588 A CB -1.084 18.036 19.000 0.201 0.000 0.794 588 A HN 2.013 nan 8.150 nan 0.000 0.481 589 G N -2.335 106.546 108.800 0.135 0.000 2.184 589 G HA2 0.129 4.090 3.960 0.001 0.000 0.206 589 G HA3 0.129 4.090 3.960 0.001 0.000 0.206 589 G C 0.442 175.453 174.900 0.185 0.000 0.995 589 G CA 0.007 45.185 45.100 0.131 0.000 0.651 589 G HN 1.637 nan 8.290 nan 0.000 0.511 590 A N 0.517 123.463 122.820 0.211 0.000 2.561 590 A HA 0.504 4.825 4.320 0.001 0.000 0.251 590 A C 1.334 178.962 177.584 0.074 0.000 1.062 590 A CA 1.686 53.818 52.037 0.158 0.000 0.761 590 A CB 0.220 19.121 19.000 -0.164 0.000 0.986 590 A HN 0.712 nan 8.150 nan 0.000 0.510 591 K N 1.893 122.348 120.400 0.092 0.000 2.217 591 K HA 0.209 4.530 4.320 0.001 0.000 0.202 591 K C 0.433 177.041 176.600 0.013 0.000 1.051 591 K CA 1.439 57.755 56.287 0.047 0.000 0.952 591 K CB -0.026 32.511 32.500 0.061 0.000 0.736 591 K HN 0.957 nan 8.250 nan 0.000 0.453 592 A N 0.370 123.191 122.820 0.002 0.000 2.566 592 A HA 0.571 4.892 4.320 0.001 0.000 0.297 592 A C -1.769 175.761 177.584 -0.089 0.000 1.059 592 A CA -0.823 51.170 52.037 -0.073 0.000 0.691 592 A CB 1.181 20.144 19.000 -0.061 0.000 1.282 592 A HN 0.133 nan 8.150 nan 0.000 0.401 593 L N 1.466 122.580 121.223 -0.182 0.000 2.386 593 L HA 0.634 4.975 4.340 0.001 0.000 0.271 593 L C -1.416 175.323 176.870 -0.219 0.000 0.993 593 L CA -0.567 54.209 54.840 -0.107 0.000 0.819 593 L CB 2.085 44.103 42.059 -0.068 0.000 1.294 593 L HN 0.797 nan 8.230 nan 0.000 0.414 594 Y N 2.573 122.947 120.300 0.124 0.000 2.468 594 Y HA 0.574 5.125 4.550 0.001 0.000 0.342 594 Y C -0.478 175.518 175.900 0.160 0.000 1.021 594 Y CA -0.722 57.489 58.100 0.186 0.000 1.079 594 Y CB 2.193 40.849 38.460 0.328 0.000 1.226 594 Y HN 0.298 nan 8.280 nan 0.000 0.460 595 L N 1.805 123.190 121.223 0.269 0.000 2.313 595 L HA 0.553 4.894 4.340 0.001 0.000 0.283 595 L C -0.571 176.406 176.870 0.179 0.000 1.013 595 L CA -0.164 54.764 54.840 0.147 0.000 0.816 595 L CB 1.589 43.622 42.059 -0.043 0.000 1.236 595 L HN 0.505 nan 8.230 nan 0.000 0.419 596 S N 4.143 119.990 115.700 0.246 0.000 2.592 596 S HA 0.821 5.291 4.470 0.001 0.000 0.305 596 S C 0.198 174.954 174.600 0.260 0.000 1.118 596 S CA 0.200 58.561 58.200 0.268 0.000 1.075 596 S CB -0.107 63.279 63.200 0.310 0.000 1.107 596 S HN 1.178 nan 8.310 nan 0.000 0.503 597 G N 1.692 110.574 108.800 0.136 0.000 2.339 597 G HA2 0.461 4.422 3.960 0.001 0.000 0.275 597 G HA3 0.461 4.422 3.960 0.001 0.000 0.275 597 G C -1.530 173.324 174.900 -0.077 0.000 1.323 597 G CA -0.289 44.878 45.100 0.111 0.000 0.927 597 G HN 0.806 nan 8.290 nan 0.000 0.486 598 A N -1.088 121.691 122.820 -0.069 0.000 2.340 598 A HA 0.815 5.136 4.320 0.001 0.000 0.331 598 A C 0.620 178.123 177.584 -0.135 0.000 1.140 598 A CA -0.452 51.459 52.037 -0.211 0.000 0.801 598 A CB 0.733 19.661 19.000 -0.120 0.000 1.234 598 A HN 0.959 nan 8.150 nan 0.000 0.469 599 F N 0.820 120.740 119.950 -0.049 0.000 2.216 599 F HA -0.196 4.332 4.527 0.001 0.000 0.300 599 F C 2.467 178.279 175.800 0.021 0.000 1.085 599 F CA 1.747 59.679 58.000 -0.113 0.000 1.326 599 F CB -0.014 38.869 39.000 -0.196 0.000 1.027 599 F HN 0.753 nan 8.300 nan 0.000 0.497 600 K N 0.909 121.428 120.400 0.199 0.000 2.280 600 K HA -0.178 4.143 4.320 0.001 0.000 0.202 600 K C 1.310 178.026 176.600 0.194 0.000 1.047 600 K CA 1.662 58.044 56.287 0.158 0.000 0.942 600 K CB -0.594 31.959 32.500 0.088 0.000 0.739 600 K HN 0.330 nan 8.250 nan 0.000 0.457 601 E N 0.388 120.733 120.200 0.243 0.000 2.204 601 E HA -0.133 4.218 4.350 0.001 0.000 0.195 601 E C 0.704 177.450 176.600 0.244 0.000 0.990 601 E CA 0.865 57.409 56.400 0.240 0.000 0.821 601 E CB -0.170 29.712 29.700 0.304 0.000 0.750 601 E HN 0.373 nan 8.360 nan 0.000 0.477 602 F N 0.665 120.682 119.950 0.111 0.000 2.725 602 F HA 0.157 4.684 4.527 0.001 0.000 0.303 602 F C 1.820 177.661 175.800 0.068 0.000 1.167 602 F CA 0.377 58.435 58.000 0.098 0.000 1.403 602 F CB -0.536 38.503 39.000 0.066 0.000 1.077 602 F HN -0.004 nan 8.300 nan 0.000 0.537 603 G N 0.916 109.838 108.800 0.204 0.000 2.678 603 G HA2 -0.446 3.515 3.960 0.001 0.000 0.362 603 G HA3 -0.446 3.515 3.960 0.001 0.000 0.362 603 G C 1.312 176.278 174.900 0.111 0.000 1.169 603 G CA 1.225 46.400 45.100 0.125 0.000 0.933 603 G HN 0.333 nan 8.290 nan 0.000 0.587 604 D N 1.265 121.717 120.400 0.087 0.000 2.348 604 D HA 0.017 4.658 4.640 0.001 0.000 0.216 604 D C 1.517 177.857 176.300 0.067 0.000 0.970 604 D CA 1.064 55.101 54.000 0.063 0.000 0.889 604 D CB -0.117 40.710 40.800 0.045 0.000 0.912 604 D HN 0.414 nan 8.370 nan 0.000 0.524 605 D N 0.621 121.090 120.400 0.114 0.000 2.349 605 D HA 0.066 4.706 4.640 0.001 0.000 0.215 605 D C 2.024 178.366 176.300 0.070 0.000 1.016 605 D CA 0.073 54.146 54.000 0.122 0.000 0.870 605 D CB 0.217 41.151 40.800 0.223 0.000 0.917 605 D HN 0.029 nan 8.370 nan 0.000 0.524 606 A N 1.844 124.710 122.820 0.078 0.000 1.870 606 A HA -0.262 4.059 4.320 0.001 0.000 0.219 606 A C 2.385 179.855 177.584 -0.189 0.000 1.224 606 A CA 2.758 54.777 52.037 -0.030 0.000 0.650 606 A CB -0.960 18.069 19.000 0.048 0.000 0.836 606 A HN 0.268 nan 8.150 nan 0.000 0.454 607 A N -1.074 121.661 122.820 -0.141 0.000 1.883 607 A HA -0.230 4.091 4.320 0.001 0.000 0.217 607 A C 2.058 179.519 177.584 -0.205 0.000 1.186 607 A CA 2.077 54.004 52.037 -0.183 0.000 0.624 607 A CB -0.670 18.265 19.000 -0.109 0.000 0.822 607 A HN 0.701 nan 8.150 nan 0.000 0.444 608 E N -0.528 119.588 120.200 -0.140 0.000 2.017 608 E HA -0.125 4.226 4.350 0.001 0.000 0.193 608 E C 2.325 178.817 176.600 -0.179 0.000 0.997 608 E CA 1.048 57.377 56.400 -0.119 0.000 0.804 608 E CB -0.285 29.383 29.700 -0.053 0.000 0.757 608 E HN 0.552 nan 8.360 nan 0.000 0.448 609 A N 1.015 123.698 122.820 -0.228 0.000 1.873 609 A HA -0.311 4.010 4.320 0.001 0.000 0.218 609 A C 2.142 179.451 177.584 -0.459 0.000 1.193 609 A CA 2.247 54.058 52.037 -0.376 0.000 0.629 609 A CB -1.201 17.296 19.000 -0.838 0.000 0.826 609 A HN 0.339 nan 8.150 nan 0.000 0.447 610 E N 0.021 119.819 120.200 -0.671 0.000 2.136 610 E HA -0.282 4.069 4.350 0.001 0.000 0.202 610 E C 2.051 178.334 176.600 -0.529 0.000 1.019 610 E CA 2.099 57.908 56.400 -0.986 0.000 0.819 610 E CB -0.545 28.525 29.700 -1.050 0.000 0.739 610 E HN 0.765 nan 8.360 nan 0.000 0.458 611 K N -0.652 119.550 120.400 -0.330 0.000 2.209 611 K HA 0.006 4.327 4.320 0.001 0.000 0.204 611 K C 2.295 178.800 176.600 -0.159 0.000 1.048 611 K CA 1.440 57.603 56.287 -0.207 0.000 0.940 611 K CB -0.183 32.224 32.500 -0.155 0.000 0.729 611 K HN 0.348 nan 8.250 nan 0.000 0.451 612 L N 0.404 121.534 121.223 -0.154 0.000 2.477 612 L HA 0.129 4.470 4.340 0.001 0.000 0.220 612 L C 0.625 177.438 176.870 -0.095 0.000 1.106 612 L CA -0.029 54.748 54.840 -0.105 0.000 0.851 612 L CB 0.113 42.122 42.059 -0.083 0.000 0.994 612 L HN 0.028 nan 8.230 nan 0.000 0.462 613 I N 0.220 120.734 120.570 -0.093 0.000 2.325 613 I HA 0.035 4.206 4.170 0.001 0.000 0.291 613 I C 0.449 176.543 176.117 -0.039 0.000 1.019 613 I CA 0.042 61.323 61.300 -0.031 0.000 1.302 613 I CB 1.474 39.558 38.000 0.140 0.000 1.401 613 I HN -0.029 nan 8.210 nan 0.000 0.485 614 D N 3.682 123.995 120.400 -0.145 0.000 2.289 614 D HA 0.188 4.829 4.640 0.001 0.000 0.207 614 D C 0.776 177.010 176.300 -0.110 0.000 0.966 614 D CA 0.642 54.530 54.000 -0.187 0.000 0.868 614 D CB 0.355 40.941 40.800 -0.357 0.000 0.943 614 D HN 0.711 nan 8.370 nan 0.000 0.514 615 G N -1.043 107.733 108.800 -0.040 0.000 2.356 615 G HA2 0.526 4.487 3.960 0.001 0.000 0.294 615 G HA3 0.526 4.487 3.960 0.001 0.000 0.294 615 G C -1.565 173.520 174.900 0.307 0.000 1.423 615 G CA -1.061 44.163 45.100 0.208 0.000 0.806 615 G HN -0.081 nan 8.290 nan 0.000 0.527 616 R N -1.105 119.581 120.500 0.311 0.000 2.854 616 R HA 0.743 5.084 4.340 0.001 0.000 0.271 616 R C -0.702 175.791 176.300 0.322 0.000 0.994 616 R CA -0.799 55.464 56.100 0.271 0.000 0.945 616 R CB 2.190 32.559 30.300 0.115 0.000 1.194 616 R HN 0.378 nan 8.270 nan 0.000 0.476 617 L N 3.723 125.102 121.223 0.259 0.000 2.333 617 L HA 0.662 5.003 4.340 0.001 0.000 0.280 617 L C -0.964 176.057 176.870 0.252 0.000 1.004 617 L CA -0.676 54.243 54.840 0.132 0.000 0.820 617 L CB 0.808 42.903 42.059 0.060 0.000 1.247 617 L HN 0.630 nan 8.230 nan 0.000 0.416 618 F N 1.055 121.055 119.950 0.083 0.000 2.693 618 F HA 0.546 5.073 4.527 0.001 0.000 0.309 618 F C -0.475 175.267 175.800 -0.097 0.000 1.129 618 F CA -1.421 56.505 58.000 -0.124 0.000 0.948 618 F CB 1.380 40.314 39.000 -0.111 0.000 1.315 618 F HN 0.300 nan 8.300 nan 0.000 0.447 619 M N 3.075 122.567 119.600 -0.179 0.000 2.327 619 M HA 0.402 4.882 4.480 0.001 0.000 0.353 619 M C 1.093 177.415 176.300 0.038 0.000 1.539 619 M CA 2.039 57.280 55.300 -0.098 0.000 1.039 619 M CB -0.323 32.209 32.600 -0.113 0.000 1.967 619 M HN 1.469 nan 8.290 nan 0.000 0.459 620 G N 3.851 112.639 108.800 -0.020 0.000 2.157 620 G HA2 -0.244 3.717 3.960 0.001 0.000 0.248 620 G HA3 -0.244 3.717 3.960 0.001 0.000 0.248 620 G C 0.184 174.990 174.900 -0.157 0.000 0.979 620 G CA 0.357 45.444 45.100 -0.022 0.000 0.650 620 G HN 0.929 nan 8.290 nan 0.000 0.529 621 M N -0.174 119.090 119.600 -0.560 0.000 2.207 621 M HA 0.552 5.032 4.480 0.001 0.000 0.311 621 M C -0.039 176.079 176.300 -0.304 0.000 1.127 621 M CA -0.022 54.806 55.300 -0.788 0.000 1.181 621 M CB 0.519 32.418 32.600 -1.169 0.000 1.409 621 M HN 0.025 nan 8.290 nan 0.000 0.461 622 D N 2.133 122.418 120.400 -0.190 0.000 2.365 622 D HA 0.198 4.839 4.640 0.001 0.000 0.237 622 D C 1.008 177.237 176.300 -0.120 0.000 1.190 622 D CA -0.462 53.484 54.000 -0.090 0.000 0.867 622 D CB 1.249 42.033 40.800 -0.027 0.000 1.050 622 D HN 0.618 nan 8.370 nan 0.000 0.491 623 V N 2.624 122.468 119.914 -0.117 0.000 2.548 623 V HA -0.140 3.981 4.120 0.001 0.000 0.249 623 V C 2.063 178.120 176.094 -0.062 0.000 1.055 623 V CA 0.847 63.062 62.300 -0.142 0.000 1.065 623 V CB -0.724 31.002 31.823 -0.162 0.000 0.681 623 V HN 0.371 nan 8.190 nan 0.000 0.462 624 V N 1.959 121.868 119.914 -0.008 0.000 2.233 624 V HA -0.342 3.779 4.120 0.001 0.000 0.247 624 V C 2.569 178.649 176.094 -0.023 0.000 1.050 624 V CA 2.899 65.183 62.300 -0.027 0.000 1.010 624 V CB -1.081 30.680 31.823 -0.103 0.000 0.637 624 V HN 0.777 nan 8.190 nan 0.000 0.444 625 D N -0.166 120.224 120.400 -0.018 0.000 2.104 625 D HA -0.203 4.438 4.640 0.001 0.000 0.194 625 D C 2.063 178.383 176.300 0.034 0.000 0.994 625 D CA 2.229 56.236 54.000 0.011 0.000 0.830 625 D CB -0.183 40.628 40.800 0.018 0.000 0.959 625 D HN 0.450 nan 8.370 nan 0.000 0.452 626 T N 0.108 114.667 114.554 0.007 0.000 2.708 626 T HA -0.103 4.247 4.350 0.001 0.000 0.266 626 T C 2.070 176.789 174.700 0.031 0.000 1.037 626 T CA 1.203 63.318 62.100 0.024 0.000 1.146 626 T CB -0.401 68.412 68.868 -0.092 0.000 0.865 626 T HN 0.152 nan 8.240 nan 0.000 0.435 627 L N 1.605 122.818 121.223 -0.017 0.000 2.017 627 L HA -0.126 4.215 4.340 0.001 0.000 0.208 627 L C 2.997 179.924 176.870 0.096 0.000 1.073 627 L CA 1.559 56.433 54.840 0.056 0.000 0.745 627 L CB -0.862 41.212 42.059 0.025 0.000 0.894 627 L HN 0.380 nan 8.230 nan 0.000 0.432 628 S N -0.921 114.817 115.700 0.063 0.000 2.382 628 S HA -0.210 4.261 4.470 0.001 0.000 0.228 628 S C 2.171 176.824 174.600 0.088 0.000 1.027 628 S CA 1.238 59.476 58.200 0.063 0.000 0.991 628 S CB -0.688 62.531 63.200 0.032 0.000 0.823 628 S HN 0.508 nan 8.310 nan 0.000 0.469 629 S N 1.558 117.324 115.700 0.109 0.000 2.402 629 S HA -0.102 4.369 4.470 0.001 0.000 0.229 629 S C 1.835 176.551 174.600 0.193 0.000 1.021 629 S CA 1.498 59.781 58.200 0.139 0.000 0.974 629 S CB -1.319 61.967 63.200 0.144 0.000 0.800 629 S HN 0.607 nan 8.310 nan 0.000 0.484 630 T N 2.724 117.424 114.554 0.243 0.000 2.857 630 T HA 0.168 4.519 4.350 0.001 0.000 0.266 630 T C 1.726 176.528 174.700 0.171 0.000 1.048 630 T CA 1.232 63.495 62.100 0.272 0.000 1.139 630 T CB -0.414 68.631 68.868 0.295 0.000 0.874 630 T HN 0.307 nan 8.240 nan 0.000 0.455 631 L N 0.958 122.264 121.223 0.139 0.000 2.083 631 L HA -0.129 4.212 4.340 0.001 0.000 0.209 631 L C 2.437 179.357 176.870 0.083 0.000 1.083 631 L CA 1.144 56.044 54.840 0.100 0.000 0.752 631 L CB -0.545 41.567 42.059 0.089 0.000 0.899 631 L HN 0.182 nan 8.230 nan 0.000 0.433 632 D N 0.304 120.755 120.400 0.085 0.000 2.084 632 D HA -0.160 4.481 4.640 0.001 0.000 0.194 632 D C 2.244 178.587 176.300 0.073 0.000 0.990 632 D CA 1.307 55.349 54.000 0.070 0.000 0.826 632 D CB -0.191 40.651 40.800 0.069 0.000 0.971 632 D HN 0.284 nan 8.370 nan 0.000 0.453 633 I N 0.695 121.322 120.570 0.094 0.000 2.208 633 I HA -0.241 3.929 4.170 0.001 0.000 0.245 633 I C 2.128 178.290 176.117 0.076 0.000 1.097 633 I CA 0.858 62.212 61.300 0.091 0.000 1.363 633 I CB -0.202 37.871 38.000 0.122 0.000 1.051 633 I HN -0.034 nan 8.210 nan 0.000 0.413 634 L N 0.699 121.967 121.223 0.075 0.000 2.610 634 L HA 0.111 4.452 4.340 0.001 0.000 0.232 634 L C 1.317 178.213 176.870 0.043 0.000 1.149 634 L CA 0.374 55.247 54.840 0.055 0.000 0.872 634 L CB -0.818 41.272 42.059 0.051 0.000 0.992 634 L HN 0.511 nan 8.230 nan 0.000 0.447 635 G N 0.993 109.820 108.800 0.044 0.000 2.314 635 G HA2 -0.235 3.726 3.960 0.001 0.000 0.292 635 G HA3 -0.235 3.726 3.960 0.001 0.000 0.292 635 G C -0.044 174.876 174.900 0.034 0.000 1.059 635 G CA 0.042 45.164 45.100 0.036 0.000 0.982 635 G HN 0.122 nan 8.290 nan 0.000 0.505 636 V N 0.449 120.386 119.914 0.040 0.000 2.567 636 V HA 0.728 4.849 4.120 0.001 0.000 0.289 636 V C 1.167 177.282 176.094 0.035 0.000 1.049 636 V CA -0.234 62.089 62.300 0.038 0.000 0.969 636 V CB 1.481 33.331 31.823 0.045 0.000 0.995 636 V HN 1.169 nan 8.190 nan 0.000 0.471 637 A N 5.238 128.077 122.820 0.031 0.000 2.448 637 A HA 0.569 4.890 4.320 0.001 0.000 0.239 637 A C 0.346 177.947 177.584 0.030 0.000 1.080 637 A CA 0.438 52.492 52.037 0.028 0.000 0.779 637 A CB 0.276 19.290 19.000 0.024 0.000 1.026 637 A HN 0.945 nan 8.150 nan 0.000 0.499 638 K N 0.000 120.416 120.400 0.026 0.000 2.780 638 K HA 0.000 4.321 4.320 0.001 0.000 0.191 638 K CA 0.000 56.301 56.287 0.024 0.000 0.838 638 K CB 0.000 32.514 32.500 0.024 0.000 1.064 638 K HN 0.000 nan 8.250 nan 0.000 0.543