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 1o5w_1_B DATA FIRST_RESID 1010 DATA SEQUENCE AGHMFDVVVI GGGISGLAAA KLLSEYKINV LVLEARDRVG GRTYTVRNEH DATA SEQUENCE VKWVDVGGAY VGPTQNRILR LSKELGIETY KVNVNERLVQ YVKGKTYPFR DATA SEQUENCE GAFPPVWNPL AYLDYNNLWR TMDEMGKEIP VDAPWQARHA QEWDKMTMKD DATA SEQUENCE LIDKICWTKT AREFAYLFVN INVTSEPHEV SALWFLWYVR QCGGTARIFS DATA SEQUENCE VTNGGQERKF VGGSGQVSEQ IMGLLGDKVK LSSPVTYIDQ TDDNIIVETL DATA SEQUENCE NHEHYECKYV ISAIPPILTA KIHFKPELPP ERNQLIQRLP MGAVIKCMVY DATA SEQUENCE YKEAFWKKKD YCGCMIIEDE EAPIAITLDD TKPDGSLPAI MGFILARKAD DATA SEQUENCE RLAKLHKDIR KRKICELYAK VLGSQEALYP VHYEEKNWCE EQYSGGCYTA DATA SEQUENCE YFPPGIMTQY GRVIRQPVGR IYFAGTETAT QWSGYMEGAV EAGERAAREV DATA SEQUENCE LNALGKVAKK DIWVEEPESK DVPAIEITHT FLERNLPSVP GLLKITGVST DATA SEQUENCE SVA 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 1010 A HA 0.000 nan 4.320 nan 0.000 0.244 1010 A C 0.000 177.644 177.584 0.100 0.000 1.274 1010 A CA 0.000 52.084 52.037 0.078 0.000 0.836 1010 A CB 0.000 19.003 19.000 0.006 0.000 0.831 1011 G N 0.210 108.953 108.800 -0.095 0.000 2.365 1011 G HA2 0.522 4.482 3.960 -0.000 0.000 0.293 1011 G HA3 0.522 4.482 3.960 -0.000 0.000 0.293 1011 G C -0.171 174.654 174.900 -0.125 0.000 1.128 1011 G CA 0.095 45.010 45.100 -0.308 0.000 0.971 1011 G HN 0.668 nan 8.290 nan 0.000 0.422 1012 H N 1.695 120.927 119.070 0.269 0.000 3.379 1012 H HA 0.495 5.051 4.556 -0.000 0.000 0.298 1012 H C -0.347 175.209 175.328 0.379 0.000 1.672 1012 H CA -0.708 55.465 56.048 0.208 0.000 1.446 1012 H CB 2.092 31.847 29.762 -0.012 0.000 1.710 1012 H HN 0.301 nan 8.280 nan 0.000 0.791 1013 M N 1.640 121.455 119.600 0.358 0.000 2.268 1013 M HA 0.311 4.791 4.480 -0.000 0.000 0.344 1013 M C -1.457 174.892 176.300 0.083 0.000 1.106 1013 M CA -0.146 55.341 55.300 0.312 0.000 1.010 1013 M CB 0.144 32.859 32.600 0.192 0.000 1.649 1013 M HN 0.393 nan 8.290 nan 0.000 0.443 1014 F N 1.144 121.171 119.950 0.129 0.000 2.640 1014 F HA 0.370 4.897 4.527 -0.000 0.000 0.324 1014 F C 1.217 177.059 175.800 0.069 0.000 1.077 1014 F CA -0.951 57.100 58.000 0.086 0.000 0.965 1014 F CB 1.117 40.162 39.000 0.074 0.000 1.351 1014 F HN 0.504 nan 8.300 nan 0.000 0.487 1015 D N 0.128 120.686 120.400 0.265 0.000 2.085 1015 D HA 0.023 4.663 4.640 -0.000 0.000 0.199 1015 D C 0.070 176.487 176.300 0.195 0.000 0.981 1015 D CA 1.681 55.794 54.000 0.188 0.000 0.834 1015 D CB 0.256 41.142 40.800 0.145 0.000 0.992 1015 D HN -0.013 nan 8.370 nan 0.000 0.457 1016 V N 1.339 121.351 119.914 0.163 0.000 2.604 1016 V HA 0.323 4.443 4.120 -0.000 0.000 0.305 1016 V C -0.140 175.967 176.094 0.021 0.000 1.043 1016 V CA -0.757 61.604 62.300 0.101 0.000 0.888 1016 V CB 2.691 34.540 31.823 0.043 0.000 0.995 1016 V HN -0.194 nan 8.190 nan 0.000 0.429 1017 V N 5.029 124.923 119.914 -0.032 0.000 2.384 1017 V HA 0.444 4.564 4.120 -0.000 0.000 0.287 1017 V C -0.229 175.787 176.094 -0.129 0.000 1.020 1017 V CA -0.602 61.605 62.300 -0.154 0.000 0.850 1017 V CB 1.917 33.627 31.823 -0.189 0.000 0.987 1017 V HN 0.596 nan 8.190 nan 0.000 0.436 1018 V N 6.739 126.562 119.914 -0.152 0.000 2.347 1018 V HA 0.432 4.552 4.120 -0.000 0.000 0.280 1018 V C 0.064 176.084 176.094 -0.123 0.000 1.021 1018 V CA -0.330 61.903 62.300 -0.112 0.000 0.847 1018 V CB 1.567 33.338 31.823 -0.087 0.000 0.990 1018 V HN 0.676 nan 8.190 nan 0.000 0.444 1019 I N 5.292 125.805 120.570 -0.095 0.000 2.322 1019 I HA 0.627 4.797 4.170 -0.000 0.000 0.292 1019 I C 0.769 176.864 176.117 -0.037 0.000 1.060 1019 I CA 0.172 61.424 61.300 -0.080 0.000 1.309 1019 I CB 0.861 38.825 38.000 -0.060 0.000 1.415 1019 I HN 0.813 nan 8.210 nan 0.000 0.492 1020 G N 3.660 112.435 108.800 -0.042 0.000 3.084 1020 G HA2 0.048 4.008 3.960 -0.000 0.000 0.543 1020 G HA3 0.048 4.008 3.960 -0.000 0.000 0.543 1020 G C -0.013 174.877 174.900 -0.015 0.000 1.239 1020 G CA -0.586 44.509 45.100 -0.008 0.000 1.190 1020 G HN 0.895 nan 8.290 nan 0.000 0.549 1021 G N 0.548 109.339 108.800 -0.016 0.000 3.562 1021 G HA2 0.609 4.569 3.960 -0.000 0.000 0.279 1021 G HA3 0.609 4.569 3.960 -0.000 0.000 0.279 1021 G C 0.882 175.793 174.900 0.018 0.000 1.314 1021 G CA 0.840 45.932 45.100 -0.012 0.000 1.189 1021 G HN 1.136 nan 8.290 nan 0.000 0.562 1022 G N -0.404 108.417 108.800 0.034 0.000 2.537 1022 G HA2 0.411 4.371 3.960 -0.000 0.000 0.297 1022 G HA3 0.411 4.371 3.960 -0.000 0.000 0.297 1022 G C 1.091 176.020 174.900 0.049 0.000 1.310 1022 G CA -0.785 44.349 45.100 0.057 0.000 1.027 1022 G HN 0.100 nan 8.290 nan 0.000 0.505 1023 I N -0.425 120.181 120.570 0.061 0.000 2.113 1023 I HA -0.221 3.949 4.170 -0.000 0.000 0.238 1023 I C 3.069 179.212 176.117 0.044 0.000 1.070 1023 I CA 1.866 63.196 61.300 0.051 0.000 1.332 1023 I CB -0.208 37.831 38.000 0.066 0.000 1.044 1023 I HN 0.520 nan 8.210 nan 0.000 0.402 1024 S N 0.628 116.364 115.700 0.059 0.000 2.387 1024 S HA -0.181 4.289 4.470 -0.000 0.000 0.230 1024 S C 2.008 176.627 174.600 0.032 0.000 1.035 1024 S CA 1.753 59.985 58.200 0.054 0.000 1.014 1024 S CB -0.712 62.536 63.200 0.080 0.000 0.836 1024 S HN 0.595 nan 8.310 nan 0.000 0.466 1025 G N 1.822 110.640 108.800 0.030 0.000 2.484 1025 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.215 1025 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.215 1025 G C 1.297 176.193 174.900 -0.007 0.000 1.219 1025 G CA 0.969 46.074 45.100 0.008 0.000 0.791 1025 G HN 0.437 nan 8.290 nan 0.000 0.550 1026 L N 1.703 122.925 121.223 -0.002 0.000 1.989 1026 L HA -0.055 4.285 4.340 -0.000 0.000 0.211 1026 L C 3.417 180.282 176.870 -0.009 0.000 1.071 1026 L CA 1.737 56.572 54.840 -0.008 0.000 0.749 1026 L CB -1.582 40.476 42.059 -0.003 0.000 0.890 1026 L HN 0.338 nan 8.230 nan 0.000 0.431 1027 A N -0.269 122.550 122.820 -0.003 0.000 1.909 1027 A HA -0.324 3.996 4.320 -0.000 0.000 0.221 1027 A C 2.513 180.087 177.584 -0.018 0.000 1.223 1027 A CA 2.944 54.978 52.037 -0.006 0.000 0.658 1027 A CB -1.064 17.938 19.000 0.003 0.000 0.831 1027 A HN 0.464 nan 8.150 nan 0.000 0.462 1028 A N -0.625 122.180 122.820 -0.025 0.000 1.858 1028 A HA 0.160 4.480 4.320 -0.000 0.000 0.216 1028 A C 2.594 180.152 177.584 -0.043 0.000 1.190 1028 A CA 2.490 54.498 52.037 -0.048 0.000 0.617 1028 A CB -1.269 17.700 19.000 -0.052 0.000 0.827 1028 A HN 1.330 nan 8.150 nan 0.000 0.443 1029 A N -0.254 122.547 122.820 -0.032 0.000 1.892 1029 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 1029 A C 2.122 179.702 177.584 -0.007 0.000 1.188 1029 A CA 2.327 54.349 52.037 -0.024 0.000 0.631 1029 A CB -0.564 18.421 19.000 -0.026 0.000 0.822 1029 A HN 0.595 nan 8.150 nan 0.000 0.447 1030 K N -0.601 119.796 120.400 -0.005 0.000 1.965 1030 K HA -0.115 4.205 4.320 -0.000 0.000 0.218 1030 K C 1.991 178.606 176.600 0.024 0.000 1.048 1030 K CA 1.611 57.903 56.287 0.008 0.000 0.960 1030 K CB -0.501 32.001 32.500 0.003 0.000 0.732 1030 K HN 0.405 nan 8.250 nan 0.000 0.444 1031 L N 1.260 122.493 121.223 0.018 0.000 2.064 1031 L HA -0.282 4.058 4.340 -0.000 0.000 0.216 1031 L C 2.317 179.225 176.870 0.064 0.000 1.077 1031 L CA 1.459 56.325 54.840 0.044 0.000 0.766 1031 L CB -0.252 41.796 42.059 -0.018 0.000 0.890 1031 L HN 0.409 nan 8.230 nan 0.000 0.435 1032 L N -0.967 120.256 121.223 0.001 0.000 2.093 1032 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 1032 L C 2.837 179.752 176.870 0.075 0.000 1.085 1032 L CA 1.484 56.324 54.840 -0.000 0.000 0.755 1032 L CB -0.550 41.487 42.059 -0.036 0.000 0.904 1032 L HN 0.450 nan 8.230 nan 0.000 0.435 1033 S N -0.394 115.344 115.700 0.064 0.000 2.383 1033 S HA -0.187 4.283 4.470 -0.000 0.000 0.227 1033 S C 1.643 176.290 174.600 0.078 0.000 1.026 1033 S CA 0.968 59.207 58.200 0.065 0.000 0.981 1033 S CB -0.358 62.869 63.200 0.044 0.000 0.818 1033 S HN 0.469 nan 8.310 nan 0.000 0.472 1034 E N -0.231 120.026 120.200 0.095 0.000 2.265 1034 E HA -0.116 4.234 4.350 -0.000 0.000 0.196 1034 E C 0.520 177.154 176.600 0.057 0.000 0.996 1034 E CA 0.952 57.395 56.400 0.071 0.000 0.832 1034 E CB -0.253 29.497 29.700 0.084 0.000 0.756 1034 E HN 0.711 nan 8.360 nan 0.000 0.491 1035 Y N 0.437 120.726 120.300 -0.018 0.000 2.583 1035 Y HA 0.120 4.670 4.550 -0.000 0.000 0.294 1035 Y C 0.184 176.076 175.900 -0.014 0.000 1.170 1035 Y CA -0.229 57.859 58.100 -0.020 0.000 1.265 1035 Y CB 0.291 38.733 38.460 -0.030 0.000 1.119 1035 Y HN -0.197 nan 8.280 nan 0.000 0.522 1036 K N 0.099 120.552 120.400 0.087 0.000 3.069 1036 K HA -0.231 4.089 4.320 -0.000 0.000 0.267 1036 K C -0.449 176.191 176.600 0.066 0.000 1.082 1036 K CA 0.640 56.959 56.287 0.052 0.000 0.782 1036 K CB -1.860 30.653 32.500 0.021 0.000 1.230 1036 K HN 0.421 nan 8.250 nan 0.000 0.488 1037 I N 1.269 121.890 120.570 0.086 0.000 2.353 1037 I HA 0.051 4.221 4.170 -0.000 0.000 0.293 1037 I C 0.871 177.036 176.117 0.079 0.000 0.992 1037 I CA -0.710 60.635 61.300 0.075 0.000 1.268 1037 I CB 1.090 39.127 38.000 0.061 0.000 1.387 1037 I HN -0.008 nan 8.210 nan 0.000 0.478 1038 N N 6.458 125.209 118.700 0.086 0.000 2.434 1038 N HA 0.109 4.849 4.740 -0.000 0.000 0.273 1038 N C -1.032 174.614 175.510 0.227 0.000 1.210 1038 N CA 0.148 53.272 53.050 0.123 0.000 0.992 1038 N CB 0.431 38.953 38.487 0.057 0.000 1.355 1038 N HN 0.340 nan 8.380 nan 0.000 0.495 1039 V N 4.230 124.265 119.914 0.202 0.000 2.581 1039 V HA 0.632 4.752 4.120 -0.000 0.000 0.303 1039 V C -0.771 175.391 176.094 0.113 0.000 1.041 1039 V CA -0.922 61.466 62.300 0.147 0.000 0.907 1039 V CB 1.574 33.425 31.823 0.046 0.000 0.994 1039 V HN 0.530 nan 8.190 nan 0.000 0.442 1040 L N 6.326 127.461 121.223 -0.147 0.000 2.342 1040 L HA 0.806 5.146 4.340 -0.000 0.000 0.271 1040 L C -1.003 175.668 176.870 -0.332 0.000 1.008 1040 L CA -0.109 54.460 54.840 -0.452 0.000 0.818 1040 L CB 2.204 43.434 42.059 -1.382 0.000 1.296 1040 L HN 0.462 nan 8.230 nan 0.000 0.427 1041 V N 5.623 125.367 119.914 -0.282 0.000 2.447 1041 V HA 0.408 4.528 4.120 -0.000 0.000 0.292 1041 V C -0.422 175.534 176.094 -0.231 0.000 1.021 1041 V CA -0.471 61.703 62.300 -0.211 0.000 0.850 1041 V CB 1.494 33.247 31.823 -0.117 0.000 1.005 1041 V HN 0.598 nan 8.190 nan 0.000 0.426 1042 L N 4.149 125.218 121.223 -0.256 0.000 2.275 1042 L HA 0.688 5.028 4.340 -0.000 0.000 0.288 1042 L C -0.102 176.676 176.870 -0.153 0.000 1.046 1042 L CA -0.283 54.415 54.840 -0.236 0.000 0.805 1042 L CB 1.467 43.354 42.059 -0.286 0.000 1.193 1042 L HN 0.614 nan 8.230 nan 0.000 0.426 1043 E N 2.083 122.202 120.200 -0.135 0.000 2.222 1043 E HA 0.540 4.890 4.350 -0.000 0.000 0.267 1043 E C -0.024 176.471 176.600 -0.176 0.000 0.884 1043 E CA -0.357 55.969 56.400 -0.124 0.000 0.764 1043 E CB 2.106 31.752 29.700 -0.091 0.000 1.169 1043 E HN 0.540 nan 8.360 nan 0.000 0.413 1044 A N 4.819 127.480 122.820 -0.266 0.000 1.975 1044 A HA 0.129 4.449 4.320 -0.000 0.000 0.215 1044 A C 0.907 178.207 177.584 -0.474 0.000 1.170 1044 A CA 0.549 52.292 52.037 -0.489 0.000 0.656 1044 A CB -0.140 18.256 19.000 -1.007 0.000 0.821 1044 A HN 0.578 nan 8.150 nan 0.000 0.449 1045 R N 0.265 120.564 120.500 -0.336 0.000 2.649 1045 R HA 0.248 4.588 4.340 -0.000 0.000 0.270 1045 R C 0.313 176.534 176.300 -0.133 0.000 1.105 1045 R CA 0.332 56.306 56.100 -0.210 0.000 1.193 1045 R CB 0.189 30.410 30.300 -0.132 0.000 1.120 1045 R HN 0.476 nan 8.270 nan 0.000 0.561 1046 D N -0.213 120.133 120.400 -0.091 0.000 2.349 1046 D HA -0.043 4.597 4.640 -0.000 0.000 0.224 1046 D C 0.317 176.598 176.300 -0.031 0.000 1.029 1046 D CA 0.233 54.202 54.000 -0.052 0.000 0.879 1046 D CB 0.123 40.904 40.800 -0.031 0.000 0.906 1046 D HN 0.451 nan 8.370 nan 0.000 0.528 1047 R N -1.945 118.530 120.500 -0.041 0.000 3.080 1047 R HA 0.764 5.104 4.340 -0.000 0.000 0.248 1047 R C -1.595 174.702 176.300 -0.005 0.000 1.324 1047 R CA -1.136 54.961 56.100 -0.006 0.000 1.036 1047 R CB 1.160 31.467 30.300 0.012 0.000 1.360 1047 R HN -0.077 nan 8.270 nan 0.000 0.479 1048 V N -1.240 118.693 119.914 0.032 0.000 3.078 1048 V HA 0.668 4.788 4.120 -0.000 0.000 0.311 1048 V C 0.113 176.257 176.094 0.083 0.000 1.138 1048 V CA 0.452 62.775 62.300 0.037 0.000 1.007 1048 V CB 1.652 33.490 31.823 0.026 0.000 1.045 1048 V HN 1.105 nan 8.190 nan 0.000 0.432 1049 G N 2.508 111.359 108.800 0.085 0.000 2.278 1049 G HA2 0.090 4.050 3.960 -0.000 0.000 0.210 1049 G HA3 0.090 4.050 3.960 -0.000 0.000 0.210 1049 G C 1.659 176.648 174.900 0.149 0.000 1.000 1049 G CA 0.874 46.050 45.100 0.126 0.000 0.635 1049 G HN 2.488 nan 8.290 nan 0.000 0.495 1050 G N 0.557 109.440 108.800 0.138 0.000 2.672 1050 G HA2 -0.429 3.531 3.960 -0.000 0.000 0.324 1050 G HA3 -0.429 3.531 3.960 -0.000 0.000 0.324 1050 G C 1.006 176.073 174.900 0.278 0.000 1.286 1050 G CA 1.625 46.829 45.100 0.173 0.000 1.004 1050 G HN 1.128 nan 8.290 nan 0.000 0.548 1051 R N 0.530 121.138 120.500 0.179 0.000 2.316 1051 R HA 0.034 4.374 4.340 -0.000 0.000 0.232 1051 R C 1.103 177.386 176.300 -0.027 0.000 1.137 1051 R CA 1.223 57.289 56.100 -0.058 0.000 1.012 1051 R CB -0.375 29.822 30.300 -0.171 0.000 0.859 1051 R HN 0.368 nan 8.270 nan 0.000 0.474 1052 T N -0.244 114.415 114.554 0.176 0.000 2.771 1052 T HA 0.285 4.635 4.350 -0.000 0.000 0.281 1052 T C -1.815 173.131 174.700 0.411 0.000 0.982 1052 T CA -0.385 61.852 62.100 0.229 0.000 0.978 1052 T CB 0.746 69.714 68.868 0.167 0.000 0.930 1052 T HN 0.105 nan 8.240 nan 0.000 0.447 1053 Y N 3.090 123.568 120.300 0.296 0.000 2.323 1053 Y HA 0.393 4.943 4.550 -0.000 0.000 0.322 1053 Y C -0.845 175.201 175.900 0.243 0.000 1.133 1053 Y CA -0.998 57.269 58.100 0.279 0.000 1.093 1053 Y CB 1.279 39.955 38.460 0.359 0.000 1.203 1053 Y HN 0.523 nan 8.280 nan 0.000 0.427 1054 T N 6.378 120.944 114.554 0.020 0.000 2.738 1054 T HA 0.431 4.781 4.350 -0.000 0.000 0.298 1054 T C -0.419 174.106 174.700 -0.292 0.000 0.962 1054 T CA -0.399 61.662 62.100 -0.064 0.000 0.972 1054 T CB 0.568 69.502 68.868 0.110 0.000 0.928 1054 T HN 0.406 nan 8.240 nan 0.000 0.474 1055 V N 5.546 125.241 119.914 -0.365 0.000 2.530 1055 V HA 0.375 4.495 4.120 -0.000 0.000 0.282 1055 V C 0.531 176.592 176.094 -0.056 0.000 1.048 1055 V CA -0.391 61.724 62.300 -0.308 0.000 0.997 1055 V CB 0.661 32.330 31.823 -0.256 0.000 0.987 1055 V HN 0.717 nan 8.190 nan 0.000 0.477 1056 R N 4.184 124.676 120.500 -0.015 0.000 2.513 1056 R HA 0.607 4.947 4.340 -0.000 0.000 0.301 1056 R C -0.942 175.374 176.300 0.025 0.000 0.968 1056 R CA -0.661 55.464 56.100 0.042 0.000 0.872 1056 R CB 1.860 32.199 30.300 0.066 0.000 1.177 1056 R HN 0.990 nan 8.270 nan 0.000 0.444 1057 N N -0.157 118.550 118.700 0.011 0.000 2.823 1057 N HA 0.096 4.835 4.740 -0.000 0.000 0.251 1057 N C -0.308 175.164 175.510 -0.062 0.000 1.392 1057 N CA -0.829 52.212 53.050 -0.015 0.000 0.864 1057 N CB 0.717 39.205 38.487 0.002 0.000 1.481 1057 N HN 0.167 nan 8.380 nan 0.000 0.508 1058 E N -0.851 119.275 120.200 -0.123 0.000 2.153 1058 E HA -0.090 4.260 4.350 -0.000 0.000 0.194 1058 E C 0.897 177.344 176.600 -0.255 0.000 0.988 1058 E CA 1.227 57.514 56.400 -0.187 0.000 0.811 1058 E CB -0.315 29.240 29.700 -0.242 0.000 0.746 1058 E HN 0.526 nan 8.360 nan 0.000 0.466 1059 H N -1.041 117.866 119.070 -0.271 0.000 2.489 1059 H HA -0.023 4.533 4.556 -0.000 0.000 0.293 1059 H C 1.595 176.682 175.328 -0.401 0.000 1.066 1059 H CA 1.641 57.438 56.048 -0.419 0.000 1.305 1059 H CB 0.403 29.623 29.762 -0.903 0.000 1.386 1059 H HN 0.213 nan 8.280 nan 0.000 0.551 1060 V N -4.289 115.504 119.914 -0.202 0.000 3.400 1060 V HA 0.260 4.380 4.120 -0.000 0.000 0.281 1060 V C 1.050 177.057 176.094 -0.145 0.000 1.617 1060 V CA -0.268 61.884 62.300 -0.247 0.000 1.044 1060 V CB 1.270 32.919 31.823 -0.289 0.000 0.858 1060 V HN -0.028 nan 8.190 nan 0.000 0.425 1061 K N 0.502 120.865 120.400 -0.062 0.000 11.134 1061 K HA -0.209 4.111 4.320 -0.000 0.000 0.527 1061 K C 0.242 176.948 176.600 0.177 0.000 0.391 1061 K CA 2.816 59.137 56.287 0.056 0.000 1.928 1061 K CB -1.686 30.867 32.500 0.088 0.000 0.781 1061 K HN 1.043 nan 8.250 nan 0.000 1.243 1062 W N 0.646 121.951 121.300 0.008 0.000 3.274 1062 W HA 0.593 5.252 4.660 -0.000 0.000 0.327 1062 W C -0.863 175.686 176.519 0.050 0.000 1.172 1062 W CA -0.849 56.505 57.345 0.015 0.000 1.217 1062 W CB 0.786 30.257 29.460 0.019 0.000 1.376 1062 W HN 0.243 nan 8.180 nan 0.000 0.507 1063 V N -0.248 119.765 119.914 0.166 0.000 2.777 1063 V HA 0.361 4.481 4.120 -0.000 0.000 0.306 1063 V C -0.991 175.188 176.094 0.142 0.000 1.112 1063 V CA -0.705 61.634 62.300 0.065 0.000 0.917 1063 V CB 2.018 33.868 31.823 0.045 0.000 1.018 1063 V HN 0.499 nan 8.190 nan 0.000 0.426 1064 D N 2.797 123.299 120.400 0.170 0.000 2.352 1064 D HA 0.283 4.923 4.640 -0.000 0.000 0.245 1064 D C 0.593 176.992 176.300 0.163 0.000 1.224 1064 D CA 0.273 54.377 54.000 0.174 0.000 0.879 1064 D CB 1.982 42.875 40.800 0.156 0.000 1.057 1064 D HN 0.488 nan 8.370 nan 0.000 0.491 1065 V N 2.607 122.637 119.914 0.194 0.000 3.649 1065 V HA 0.227 4.347 4.120 -0.000 0.000 0.275 1065 V C 1.076 177.524 176.094 0.589 0.000 1.281 1065 V CA 1.014 63.489 62.300 0.291 0.000 1.143 1065 V CB 0.273 32.202 31.823 0.178 0.000 0.892 1065 V HN 0.577 nan 8.190 nan 0.000 0.441 1066 G N -0.817 108.296 108.800 0.522 0.000 3.392 1066 G HA2 0.472 4.432 3.960 -0.000 0.000 0.185 1066 G HA3 0.472 4.432 3.960 -0.000 0.000 0.185 1066 G C 0.437 175.439 174.900 0.169 0.000 1.206 1066 G CA 0.046 45.401 45.100 0.424 0.000 0.776 1066 G HN 0.472 nan 8.290 nan 0.000 0.697 1067 G N -0.754 108.082 108.800 0.061 0.000 2.491 1067 G HA2 0.536 4.496 3.960 -0.000 0.000 0.238 1067 G HA3 0.536 4.496 3.960 -0.000 0.000 0.238 1067 G C 0.443 175.378 174.900 0.058 0.000 1.277 1067 G CA 1.072 46.190 45.100 0.030 0.000 0.851 1067 G HN 1.409 nan 8.290 nan 0.000 0.573 1068 A N 1.447 124.252 122.820 -0.024 0.000 1.660 1068 A HA 0.381 4.701 4.320 -0.000 0.000 0.204 1068 A C 0.043 177.356 177.584 -0.452 0.000 1.880 1068 A CA -0.139 51.771 52.037 -0.212 0.000 1.437 1068 A CB 0.005 18.789 19.000 -0.360 0.000 1.444 1068 A HN 0.558 nan 8.150 nan 0.000 0.360 1069 Y N 0.789 120.991 120.300 -0.164 0.000 2.299 1069 Y HA 0.487 5.037 4.550 -0.000 0.000 0.326 1069 Y C 0.491 176.210 175.900 -0.301 0.000 1.164 1069 Y CA -0.226 57.721 58.100 -0.255 0.000 1.234 1069 Y CB 1.276 39.628 38.460 -0.180 0.000 1.219 1069 Y HN 0.372 nan 8.280 nan 0.000 0.497 1070 V N -0.579 119.175 119.914 -0.267 0.000 3.102 1070 V HA 1.111 5.231 4.120 -0.000 0.000 0.312 1070 V C -0.333 175.577 176.094 -0.306 0.000 1.135 1070 V CA -0.519 61.577 62.300 -0.339 0.000 1.022 1070 V CB 1.741 33.286 31.823 -0.463 0.000 1.056 1070 V HN 0.971 nan 8.190 nan 0.000 0.436 1071 G N 0.244 108.823 108.800 -0.370 0.000 2.663 1071 G HA2 0.638 4.598 3.960 -0.000 0.000 0.299 1071 G HA3 0.638 4.598 3.960 -0.000 0.000 0.299 1071 G C -2.713 172.034 174.900 -0.255 0.000 1.372 1071 G CA -0.637 44.288 45.100 -0.291 0.000 0.781 1071 G HN 0.531 nan 8.290 nan 0.000 0.491 1072 P HA -0.248 nan 4.420 nan 0.000 0.224 1072 P C 1.967 179.227 177.300 -0.067 0.000 1.153 1072 P CA 3.460 66.510 63.100 -0.084 0.000 0.947 1072 P CB 0.067 31.742 31.700 -0.041 0.000 0.790 1073 T N -5.069 109.461 114.554 -0.040 0.000 3.107 1073 T HA 0.071 4.421 4.350 -0.000 0.000 0.249 1073 T C 1.035 175.712 174.700 -0.038 0.000 1.096 1073 T CA 0.027 62.159 62.100 0.053 0.000 1.012 1073 T CB -0.651 68.368 68.868 0.252 0.000 0.977 1073 T HN 0.179 nan 8.240 nan 0.000 0.527 1074 Q N 1.604 121.205 119.800 -0.332 0.000 2.380 1074 Q HA 0.176 4.516 4.340 -0.000 0.000 0.254 1074 Q C 0.971 176.877 176.000 -0.157 0.000 0.927 1074 Q CA -0.489 55.058 55.803 -0.427 0.000 0.950 1074 Q CB -0.193 28.145 28.738 -0.666 0.000 1.206 1074 Q HN 0.487 nan 8.270 nan 0.000 0.414 1075 N N 1.331 119.994 118.700 -0.060 0.000 2.069 1075 N HA -0.244 4.496 4.740 -0.000 0.000 0.196 1075 N C 1.365 176.877 175.510 0.003 0.000 1.024 1075 N CA 1.528 54.569 53.050 -0.014 0.000 0.869 1075 N CB -0.108 38.388 38.487 0.014 0.000 1.035 1075 N HN 0.392 nan 8.380 nan 0.000 0.434 1076 R N 0.374 120.884 120.500 0.017 0.000 2.094 1076 R HA -0.112 4.228 4.340 -0.000 0.000 0.239 1076 R C 2.295 178.612 176.300 0.027 0.000 1.137 1076 R CA 1.257 57.375 56.100 0.030 0.000 0.943 1076 R CB -0.530 29.799 30.300 0.049 0.000 0.850 1076 R HN 0.196 nan 8.270 nan 0.000 0.433 1077 I N 0.884 121.470 120.570 0.026 0.000 2.202 1077 I HA -0.199 3.971 4.170 -0.000 0.000 0.242 1077 I C 1.842 178.013 176.117 0.091 0.000 1.091 1077 I CA 1.392 62.731 61.300 0.065 0.000 1.368 1077 I CB -0.165 37.890 38.000 0.092 0.000 1.058 1077 I HN 0.116 nan 8.210 nan 0.000 0.410 1078 L N 0.308 121.576 121.223 0.075 0.000 1.990 1078 L HA -0.280 4.060 4.340 -0.000 0.000 0.213 1078 L C 2.812 179.712 176.870 0.050 0.000 1.072 1078 L CA 1.990 56.886 54.840 0.093 0.000 0.755 1078 L CB -0.890 41.190 42.059 0.036 0.000 0.889 1078 L HN 0.292 nan 8.230 nan 0.000 0.432 1079 R N 0.440 120.955 120.500 0.026 0.000 2.094 1079 R HA -0.243 4.097 4.340 -0.000 0.000 0.239 1079 R C 2.366 178.665 176.300 -0.003 0.000 1.137 1079 R CA 2.152 58.259 56.100 0.012 0.000 0.943 1079 R CB -0.549 29.759 30.300 0.013 0.000 0.850 1079 R HN 0.250 nan 8.270 nan 0.000 0.433 1080 L N 0.947 122.166 121.223 -0.006 0.000 2.083 1080 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 1080 L C 2.457 179.285 176.870 -0.070 0.000 1.083 1080 L CA 2.288 57.112 54.840 -0.027 0.000 0.752 1080 L CB -0.791 41.257 42.059 -0.019 0.000 0.899 1080 L HN 0.233 nan 8.230 nan 0.000 0.433 1081 S N -0.727 114.920 115.700 -0.088 0.000 2.353 1081 S HA -0.273 4.197 4.470 -0.000 0.000 0.222 1081 S C 2.184 176.693 174.600 -0.153 0.000 1.035 1081 S CA 1.741 59.810 58.200 -0.219 0.000 1.025 1081 S CB -0.328 62.732 63.200 -0.233 0.000 0.902 1081 S HN 0.477 nan 8.310 nan 0.000 0.440 1082 K N 1.438 121.801 120.400 -0.062 0.000 1.991 1082 K HA -0.097 4.223 4.320 -0.000 0.000 0.212 1082 K C 2.174 178.745 176.600 -0.049 0.000 1.049 1082 K CA 2.235 58.498 56.287 -0.039 0.000 0.932 1082 K CB -0.802 31.694 32.500 -0.007 0.000 0.717 1082 K HN 0.609 nan 8.250 nan 0.000 0.441 1083 E N -0.478 119.697 120.200 -0.041 0.000 2.187 1083 E HA -0.213 4.137 4.350 -0.000 0.000 0.199 1083 E C 1.127 177.697 176.600 -0.051 0.000 1.004 1083 E CA 1.237 57.615 56.400 -0.037 0.000 0.813 1083 E CB -0.067 29.616 29.700 -0.028 0.000 0.736 1083 E HN 0.168 nan 8.360 nan 0.000 0.468 1084 L N 0.157 121.335 121.223 -0.076 0.000 2.599 1084 L HA 0.209 4.549 4.340 -0.000 0.000 0.230 1084 L C 1.118 177.931 176.870 -0.094 0.000 1.141 1084 L CA 1.177 55.965 54.840 -0.088 0.000 0.877 1084 L CB -0.023 41.965 42.059 -0.118 0.000 1.009 1084 L HN 0.319 nan 8.230 nan 0.000 0.447 1085 G N 0.618 109.368 108.800 -0.083 0.000 2.298 1085 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.287 1085 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.287 1085 G C 0.102 174.942 174.900 -0.101 0.000 1.075 1085 G CA 0.192 45.248 45.100 -0.075 0.000 0.960 1085 G HN 0.293 nan 8.290 nan 0.000 0.502 1086 I N -0.120 120.372 120.570 -0.130 0.000 2.436 1086 I HA 0.378 4.548 4.170 -0.000 0.000 0.289 1086 I C 0.383 176.456 176.117 -0.075 0.000 1.010 1086 I CA -0.812 60.385 61.300 -0.171 0.000 1.098 1086 I CB 1.719 39.504 38.000 -0.359 0.000 1.266 1086 I HN 0.148 nan 8.210 nan 0.000 0.434 1087 E N 3.326 123.524 120.200 -0.002 0.000 2.283 1087 E HA 0.424 4.774 4.350 -0.000 0.000 0.267 1087 E C -0.388 176.360 176.600 0.248 0.000 1.045 1087 E CA -0.569 55.889 56.400 0.097 0.000 0.884 1087 E CB 1.784 31.526 29.700 0.069 0.000 1.106 1087 E HN 0.631 nan 8.360 nan 0.000 0.408 1088 T N -0.788 113.903 114.554 0.229 0.000 2.918 1088 T HA 0.562 4.912 4.350 -0.000 0.000 0.286 1088 T C -0.945 173.878 174.700 0.204 0.000 1.026 1088 T CA -0.832 61.386 62.100 0.197 0.000 1.031 1088 T CB 0.681 69.597 68.868 0.081 0.000 1.046 1088 T HN 0.509 nan 8.240 nan 0.000 0.479 1089 Y N -0.503 119.826 120.300 0.049 0.000 2.433 1089 Y HA 0.637 5.187 4.550 -0.000 0.000 0.337 1089 Y C -0.454 175.464 175.900 0.030 0.000 1.026 1089 Y CA -1.435 56.697 58.100 0.053 0.000 1.037 1089 Y CB 1.281 39.798 38.460 0.094 0.000 1.245 1089 Y HN 0.704 nan 8.280 nan 0.000 0.443 1090 K N 3.158 123.622 120.400 0.107 0.000 2.469 1090 K HA 0.248 4.568 4.320 -0.000 0.000 0.274 1090 K C -0.558 176.066 176.600 0.039 0.000 0.983 1090 K CA -0.257 56.039 56.287 0.016 0.000 0.974 1090 K CB 0.867 33.398 32.500 0.051 0.000 0.913 1090 K HN 0.597 nan 8.250 nan 0.000 0.493 1091 V N 3.394 123.287 119.914 -0.035 0.000 2.583 1091 V HA -0.017 4.103 4.120 -0.000 0.000 0.287 1091 V C 0.672 176.800 176.094 0.057 0.000 1.051 1091 V CA -0.771 61.541 62.300 0.020 0.000 1.010 1091 V CB 1.052 32.880 31.823 0.008 0.000 0.988 1091 V HN 0.744 nan 8.190 nan 0.000 0.478 1092 N N 3.561 122.319 118.700 0.097 0.000 2.447 1092 N HA 0.074 4.814 4.740 -0.000 0.000 0.263 1092 N C -0.143 175.387 175.510 0.033 0.000 1.226 1092 N CA 0.353 53.449 53.050 0.077 0.000 0.906 1092 N CB 1.410 39.961 38.487 0.106 0.000 1.060 1092 N HN 0.472 nan 8.380 nan 0.000 0.468 1093 V N 3.550 123.477 119.914 0.021 0.000 3.486 1093 V HA 0.086 4.206 4.120 -0.000 0.000 0.335 1093 V C 1.418 177.512 176.094 0.001 0.000 1.506 1093 V CA -0.537 61.759 62.300 -0.007 0.000 1.206 1093 V CB 0.011 31.816 31.823 -0.029 0.000 1.049 1093 V HN 0.633 nan 8.190 nan 0.000 0.502 1094 N N 1.198 119.911 118.700 0.021 0.000 2.120 1094 N HA -0.084 4.656 4.740 -0.000 0.000 0.188 1094 N C 1.017 176.540 175.510 0.022 0.000 1.024 1094 N CA 1.138 54.200 53.050 0.021 0.000 0.852 1094 N CB 0.337 38.840 38.487 0.026 0.000 1.003 1094 N HN 0.590 nan 8.380 nan 0.000 0.424 1095 E N 1.194 121.417 120.200 0.038 0.000 3.638 1095 E HA 0.147 4.497 4.350 -0.000 0.000 0.289 1095 E C 0.477 177.096 176.600 0.033 0.000 1.464 1095 E CA -0.119 56.315 56.400 0.057 0.000 1.396 1095 E CB 0.411 30.179 29.700 0.114 0.000 1.303 1095 E HN 0.094 nan 8.360 nan 0.000 0.785 1096 R N -0.153 120.394 120.500 0.080 0.000 2.500 1096 R HA 0.465 4.805 4.340 -0.000 0.000 0.277 1096 R C 0.121 176.345 176.300 -0.125 0.000 1.026 1096 R CA -0.524 55.579 56.100 0.005 0.000 1.058 1096 R CB 0.639 31.023 30.300 0.140 0.000 1.078 1096 R HN 0.264 nan 8.270 nan 0.000 0.509 1097 L N 1.621 122.591 121.223 -0.423 0.000 2.387 1097 L HA 0.626 4.966 4.340 -0.000 0.000 0.266 1097 L C -0.088 176.479 176.870 -0.504 0.000 1.059 1097 L CA -1.078 53.401 54.840 -0.601 0.000 0.801 1097 L CB 1.503 42.867 42.059 -1.159 0.000 1.223 1097 L HN 0.407 nan 8.230 nan 0.000 0.456 1098 V N -0.687 119.140 119.914 -0.144 0.000 2.888 1098 V HA 0.497 4.617 4.120 -0.000 0.000 0.309 1098 V C -0.940 175.403 176.094 0.414 0.000 1.114 1098 V CA -0.757 61.626 62.300 0.137 0.000 0.940 1098 V CB 1.649 33.356 31.823 -0.193 0.000 1.021 1098 V HN 0.900 nan 8.190 nan 0.000 0.426 1099 Q N 3.106 123.182 119.800 0.460 0.000 2.322 1099 Q HA 0.514 4.854 4.340 -0.000 0.000 0.265 1099 Q C -2.096 174.099 176.000 0.325 0.000 0.985 1099 Q CA -0.748 55.248 55.803 0.321 0.000 0.849 1099 Q CB 2.010 30.819 28.738 0.118 0.000 1.274 1099 Q HN 0.949 nan 8.270 nan 0.000 0.449 1100 Y N 4.712 125.108 120.300 0.161 0.000 2.491 1100 Y HA 0.476 5.026 4.550 -0.000 0.000 0.334 1100 Y C -1.552 174.420 175.900 0.120 0.000 0.969 1100 Y CA -0.430 57.770 58.100 0.167 0.000 1.241 1100 Y CB 0.762 39.294 38.460 0.119 0.000 1.105 1100 Y HN 0.454 nan 8.280 nan 0.000 0.503 1101 V N 6.687 126.469 119.914 -0.220 0.000 2.715 1101 V HA 0.264 4.384 4.120 -0.000 0.000 0.310 1101 V C 0.890 176.820 176.094 -0.274 0.000 1.054 1101 V CA -1.244 60.929 62.300 -0.211 0.000 0.928 1101 V CB 1.877 33.575 31.823 -0.209 0.000 1.007 1101 V HN 0.874 nan 8.190 nan 0.000 0.437 1102 K N 2.037 122.337 120.400 -0.168 0.000 2.440 1102 K HA -0.370 3.950 4.320 -0.000 0.000 0.196 1102 K C 1.519 178.038 176.600 -0.134 0.000 0.753 1102 K CA 2.456 58.682 56.287 -0.102 0.000 1.072 1102 K CB -1.236 31.239 32.500 -0.041 0.000 1.177 1102 K HN 0.980 nan 8.250 nan 0.000 0.608 1103 G N 0.897 109.662 108.800 -0.057 0.000 2.645 1103 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.179 1103 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.179 1103 G C 0.763 175.579 174.900 -0.141 0.000 1.515 1103 G CA 1.056 46.147 45.100 -0.015 0.000 0.852 1103 G HN 0.307 nan 8.290 nan 0.000 0.481 1104 K N -2.124 118.222 120.400 -0.090 0.000 1.776 1104 K HA 0.438 4.758 4.320 -0.000 0.000 0.262 1104 K C -0.479 176.069 176.600 -0.088 0.000 0.971 1104 K CA -0.553 55.649 56.287 -0.142 0.000 0.943 1104 K CB 0.834 33.310 32.500 -0.039 0.000 2.334 1104 K HN 0.310 nan 8.250 nan 0.000 0.894 1105 T N 0.540 115.111 114.554 0.028 0.000 2.889 1105 T HA 0.384 4.734 4.350 -0.000 0.000 0.291 1105 T C -1.450 173.194 174.700 -0.094 0.000 0.995 1105 T CA -0.221 61.965 62.100 0.143 0.000 1.092 1105 T CB 0.053 69.029 68.868 0.179 0.000 0.954 1105 T HN 0.229 nan 8.240 nan 0.000 0.506 1106 Y N 4.792 125.152 120.300 0.100 0.000 2.363 1106 Y HA 0.401 4.951 4.550 -0.000 0.000 0.325 1106 Y C -2.229 173.779 175.900 0.179 0.000 0.984 1106 Y CA -2.651 55.517 58.100 0.112 0.000 1.248 1106 Y CB 1.307 39.803 38.460 0.061 0.000 1.116 1106 Y HN 0.551 nan 8.280 nan 0.000 0.470 1107 P HA 0.255 nan 4.420 nan 0.000 0.270 1107 P C -0.879 176.630 177.300 0.349 0.000 1.223 1107 P CA 0.127 63.373 63.100 0.242 0.000 0.785 1107 P CB 0.573 32.429 31.700 0.261 0.000 0.923 1108 F N -1.500 118.497 119.950 0.079 0.000 2.799 1108 F HA 0.716 5.243 4.527 -0.000 0.000 0.316 1108 F C -1.637 174.199 175.800 0.060 0.000 1.155 1108 F CA -1.250 56.782 58.000 0.052 0.000 0.916 1108 F CB 1.249 40.263 39.000 0.023 0.000 1.294 1108 F HN 0.068 nan 8.300 nan 0.000 0.447 1109 R N 1.309 121.887 120.500 0.130 0.000 2.686 1109 R HA 0.823 5.163 4.340 -0.000 0.000 0.283 1109 R C -0.170 176.251 176.300 0.203 0.000 0.978 1109 R CA 0.101 56.207 56.100 0.011 0.000 0.897 1109 R CB 2.077 32.400 30.300 0.039 0.000 1.192 1109 R HN 1.815 nan 8.270 nan 0.000 0.457 1110 G N 0.787 109.672 108.800 0.142 0.000 2.316 1110 G HA2 0.193 4.153 3.960 -0.000 0.000 0.349 1110 G HA3 0.193 4.153 3.960 -0.000 0.000 0.349 1110 G C -0.110 174.931 174.900 0.234 0.000 1.274 1110 G CA -0.249 44.970 45.100 0.199 0.000 1.018 1110 G HN 0.766 nan 8.290 nan 0.000 0.486 1111 A N -0.400 122.543 122.820 0.204 0.000 1.839 1111 A HA 0.624 4.943 4.320 -0.000 0.000 0.213 1111 A C 1.007 178.696 177.584 0.174 0.000 1.274 1111 A CA 1.582 53.693 52.037 0.124 0.000 0.608 1111 A CB -0.668 18.375 19.000 0.071 0.000 0.920 1111 A HN 0.974 nan 8.150 nan 0.000 0.465 1112 F N 0.076 120.083 119.950 0.096 0.000 2.370 1112 F HA 0.462 4.989 4.527 -0.000 0.000 0.319 1112 F C -1.926 173.840 175.800 -0.056 0.000 1.129 1112 F CA -2.131 55.864 58.000 -0.008 0.000 1.109 1112 F CB 0.129 38.968 39.000 -0.269 0.000 1.262 1112 F HN 0.062 nan 8.300 nan 0.000 0.534 1113 P HA 0.143 nan 4.420 nan 0.000 0.273 1113 P C -2.590 174.422 177.300 -0.481 0.000 1.250 1113 P CA -0.803 61.734 63.100 -0.939 0.000 0.793 1113 P CB 0.057 31.356 31.700 -0.668 0.000 1.011 1114 P HA 0.200 nan 4.420 nan 0.000 0.293 1114 P C -1.405 175.520 177.300 -0.625 0.000 1.291 1114 P CA -0.488 62.293 63.100 -0.532 0.000 0.867 1114 P CB 1.298 32.597 31.700 -0.667 0.000 1.074 1115 V N -0.457 119.139 119.914 -0.530 0.000 2.409 1115 V HA 0.398 4.518 4.120 -0.000 0.000 0.291 1115 V C 0.452 176.530 176.094 -0.026 0.000 1.020 1115 V CA -0.576 61.495 62.300 -0.381 0.000 0.848 1115 V CB 1.552 33.063 31.823 -0.520 0.000 0.990 1115 V HN 0.679 nan 8.190 nan 0.000 0.430 1116 W N 1.495 122.704 121.300 -0.152 0.000 2.812 1116 W HA 0.195 4.855 4.660 -0.000 0.000 0.263 1116 W C 1.386 177.841 176.519 -0.106 0.000 1.284 1116 W CA -0.514 56.749 57.345 -0.136 0.000 1.430 1116 W CB 0.551 29.953 29.460 -0.098 0.000 1.088 1116 W HN 0.722 nan 8.180 nan 0.000 0.623 1117 N N 1.760 120.557 118.700 0.163 0.000 2.452 1117 N HA -0.001 4.739 4.740 -0.000 0.000 0.266 1117 N C -1.878 173.688 175.510 0.094 0.000 1.175 1117 N CA -0.829 52.268 53.050 0.079 0.000 0.945 1117 N CB 1.422 39.933 38.487 0.040 0.000 1.063 1117 N HN -0.145 nan 8.380 nan 0.000 0.472 1118 P HA -0.189 nan 4.420 nan 0.000 0.213 1118 P C 1.704 179.060 177.300 0.094 0.000 1.176 1118 P CA 1.328 64.469 63.100 0.068 0.000 0.919 1118 P CB 0.251 31.953 31.700 0.004 0.000 0.791 1119 L N -1.313 119.932 121.223 0.037 0.000 1.990 1119 L HA -0.274 4.066 4.340 -0.000 0.000 0.213 1119 L C 2.501 179.384 176.870 0.021 0.000 1.072 1119 L CA 1.932 56.778 54.840 0.010 0.000 0.755 1119 L CB -1.302 40.754 42.059 -0.005 0.000 0.889 1119 L HN -0.023 nan 8.230 nan 0.000 0.432 1120 A N -0.612 122.227 122.820 0.032 0.000 1.859 1120 A HA -0.345 3.975 4.320 -0.000 0.000 0.217 1120 A C 2.166 179.767 177.584 0.028 0.000 1.198 1120 A CA 2.097 54.141 52.037 0.012 0.000 0.629 1120 A CB -1.280 17.711 19.000 -0.015 0.000 0.830 1120 A HN 0.485 nan 8.150 nan 0.000 0.446 1121 Y N 0.509 120.778 120.300 -0.051 0.000 2.096 1121 Y HA -0.291 4.258 4.550 -0.000 0.000 0.278 1121 Y C 2.085 177.991 175.900 0.010 0.000 1.192 1121 Y CA 2.148 60.237 58.100 -0.018 0.000 1.143 1121 Y CB -0.474 38.005 38.460 0.032 0.000 0.963 1121 Y HN 0.258 nan 8.280 nan 0.000 0.505 1122 L N -0.585 120.614 121.223 -0.041 0.000 1.994 1122 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 1122 L C 2.316 179.074 176.870 -0.187 0.000 1.071 1122 L CA 1.793 56.545 54.840 -0.148 0.000 0.745 1122 L CB -0.712 41.300 42.059 -0.079 0.000 0.892 1122 L HN 0.185 nan 8.230 nan 0.000 0.431 1123 D N -0.834 119.492 120.400 -0.123 0.000 2.092 1123 D HA -0.275 4.365 4.640 -0.000 0.000 0.193 1123 D C 2.026 178.196 176.300 -0.217 0.000 0.994 1123 D CA 1.328 55.254 54.000 -0.122 0.000 0.828 1123 D CB -0.144 40.635 40.800 -0.035 0.000 0.963 1123 D HN 0.263 nan 8.370 nan 0.000 0.450 1124 Y N 1.149 121.226 120.300 -0.372 0.000 2.081 1124 Y HA -0.307 4.243 4.550 -0.000 0.000 0.280 1124 Y C 2.158 177.668 175.900 -0.650 0.000 1.163 1124 Y CA 2.480 60.258 58.100 -0.537 0.000 1.135 1124 Y CB -0.844 37.369 38.460 -0.411 0.000 0.970 1124 Y HN 0.028 nan 8.280 nan 0.000 0.498 1125 N N 0.342 118.809 118.700 -0.388 0.000 2.058 1125 N HA -0.269 4.471 4.740 -0.000 0.000 0.191 1125 N C 1.729 176.995 175.510 -0.407 0.000 1.037 1125 N CA 1.809 54.607 53.050 -0.419 0.000 0.848 1125 N CB -0.748 37.456 38.487 -0.470 0.000 1.021 1125 N HN 0.470 nan 8.380 nan 0.000 0.422 1126 N N -0.173 118.314 118.700 -0.355 0.000 2.091 1126 N HA -0.187 4.553 4.740 -0.000 0.000 0.193 1126 N C 1.565 176.864 175.510 -0.351 0.000 1.021 1126 N CA 1.241 54.117 53.050 -0.289 0.000 0.862 1126 N CB -0.543 37.811 38.487 -0.222 0.000 1.018 1126 N HN 0.369 nan 8.380 nan 0.000 0.429 1127 L N 0.048 120.948 121.223 -0.538 0.000 1.925 1127 L HA -0.150 4.190 4.340 -0.000 0.000 0.232 1127 L C 1.793 178.295 176.870 -0.614 0.000 1.089 1127 L CA 2.197 56.611 54.840 -0.710 0.000 0.806 1127 L CB -1.454 39.862 42.059 -1.237 0.000 0.899 1127 L HN 0.430 nan 8.230 nan 0.000 0.435 1128 W N -0.160 120.823 121.300 -0.530 0.000 2.277 1128 W HA -0.349 4.311 4.660 -0.000 0.000 0.327 1128 W C 2.878 179.220 176.519 -0.293 0.000 1.284 1128 W CA 1.701 58.743 57.345 -0.505 0.000 1.277 1128 W CB -0.735 28.293 29.460 -0.720 0.000 1.141 1128 W HN 0.271 nan 8.180 nan 0.000 0.482 1129 R N 0.117 120.580 120.500 -0.061 0.000 2.096 1129 R HA -0.180 4.160 4.340 -0.000 0.000 0.240 1129 R C 2.068 178.332 176.300 -0.061 0.000 1.139 1129 R CA 2.417 58.485 56.100 -0.052 0.000 0.952 1129 R CB -0.824 29.394 30.300 -0.137 0.000 0.854 1129 R HN 0.105 nan 8.270 nan 0.000 0.436 1130 T N 1.061 115.543 114.554 -0.120 0.000 2.708 1130 T HA -0.166 4.184 4.350 -0.000 0.000 0.266 1130 T C 1.846 176.492 174.700 -0.091 0.000 1.037 1130 T CA 1.733 63.768 62.100 -0.107 0.000 1.146 1130 T CB -0.134 68.647 68.868 -0.144 0.000 0.865 1130 T HN 0.260 nan 8.240 nan 0.000 0.435 1131 M N 0.980 120.523 119.600 -0.096 0.000 2.144 1131 M HA -0.148 4.332 4.480 -0.000 0.000 0.260 1131 M C 1.865 178.155 176.300 -0.016 0.000 1.067 1131 M CA 1.501 56.771 55.300 -0.049 0.000 1.095 1131 M CB -0.353 32.261 32.600 0.023 0.000 1.365 1131 M HN 0.173 nan 8.290 nan 0.000 0.406 1132 D N -0.257 120.145 120.400 0.004 0.000 2.194 1132 D HA -0.104 4.536 4.640 -0.000 0.000 0.204 1132 D C 1.793 178.103 176.300 0.018 0.000 0.964 1132 D CA 1.045 55.052 54.000 0.012 0.000 0.846 1132 D CB -0.208 40.616 40.800 0.039 0.000 0.962 1132 D HN 0.485 nan 8.370 nan 0.000 0.490 1133 E N 0.362 120.572 120.200 0.017 0.000 2.051 1133 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 1133 E C 2.216 178.860 176.600 0.074 0.000 0.991 1133 E CA 0.772 57.194 56.400 0.037 0.000 0.799 1133 E CB -0.042 29.670 29.700 0.021 0.000 0.748 1133 E HN 0.255 nan 8.360 nan 0.000 0.449 1134 M N 0.134 119.760 119.600 0.042 0.000 2.175 1134 M HA -0.081 4.399 4.480 -0.000 0.000 0.264 1134 M C 2.446 178.848 176.300 0.170 0.000 1.063 1134 M CA 1.480 56.835 55.300 0.092 0.000 1.119 1134 M CB -0.395 32.031 32.600 -0.290 0.000 1.377 1134 M HN 0.193 nan 8.290 nan 0.000 0.415 1135 G N 0.577 109.416 108.800 0.065 0.000 2.446 1135 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 1135 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 1135 G C 1.568 176.511 174.900 0.072 0.000 1.168 1135 G CA 0.786 45.923 45.100 0.062 0.000 0.771 1135 G HN 0.382 nan 8.290 nan 0.000 0.551 1136 K N 0.198 120.629 120.400 0.052 0.000 2.286 1136 K HA -0.148 4.172 4.320 -0.000 0.000 0.203 1136 K C 2.214 178.849 176.600 0.059 0.000 1.045 1136 K CA 1.229 57.537 56.287 0.035 0.000 0.935 1136 K CB -0.050 32.469 32.500 0.033 0.000 0.737 1136 K HN 0.512 nan 8.250 nan 0.000 0.460 1137 E N 0.608 120.883 120.200 0.125 0.000 2.481 1137 E HA -0.013 4.337 4.350 -0.000 0.000 0.195 1137 E C -0.229 176.426 176.600 0.091 0.000 1.047 1137 E CA 0.011 56.483 56.400 0.120 0.000 0.867 1137 E CB 0.318 30.151 29.700 0.221 0.000 0.858 1137 E HN 0.198 nan 8.360 nan 0.000 0.513 1138 I N 2.205 122.848 120.570 0.120 0.000 2.336 1138 I HA 0.253 4.423 4.170 -0.000 0.000 0.292 1138 I C -2.290 173.847 176.117 0.033 0.000 0.991 1138 I CA -2.637 58.723 61.300 0.100 0.000 1.227 1138 I CB 1.575 39.707 38.000 0.220 0.000 1.366 1138 I HN -0.176 nan 8.210 nan 0.000 0.466 1139 P HA 0.046 nan 4.420 nan 0.000 0.274 1139 P C 1.101 178.374 177.300 -0.046 0.000 1.291 1139 P CA -0.202 62.831 63.100 -0.111 0.000 0.815 1139 P CB 0.621 32.179 31.700 -0.237 0.000 0.897 1140 V N 2.899 122.832 119.914 0.033 0.000 2.313 1140 V HA -0.310 3.810 4.120 -0.000 0.000 0.253 1140 V C 1.790 178.019 176.094 0.226 0.000 1.070 1140 V CA 2.435 64.833 62.300 0.164 0.000 1.057 1140 V CB -1.148 30.677 31.823 0.004 0.000 0.653 1140 V HN 0.553 nan 8.190 nan 0.000 0.450 1141 D N 0.667 121.057 120.400 -0.017 0.000 2.340 1141 D HA 0.239 4.879 4.640 -0.000 0.000 0.220 1141 D C 0.859 176.969 176.300 -0.316 0.000 1.039 1141 D CA 0.988 54.945 54.000 -0.073 0.000 0.866 1141 D CB 0.506 41.200 40.800 -0.176 0.000 0.913 1141 D HN 0.586 nan 8.370 nan 0.000 0.523 1142 A N 0.983 123.441 122.820 -0.603 0.000 3.399 1142 A HA 0.429 4.749 4.320 -0.000 0.000 0.262 1142 A C -2.196 174.582 177.584 -1.343 0.000 1.145 1142 A CA -0.854 50.278 52.037 -1.509 0.000 0.916 1142 A CB 1.015 19.276 19.000 -1.232 0.000 1.360 1142 A HN -0.168 nan 8.150 nan 0.000 0.628 1143 P HA -0.249 nan 4.420 nan 0.000 0.219 1143 P C 1.387 178.487 177.300 -0.333 0.000 1.161 1143 P CA 2.386 65.176 63.100 -0.516 0.000 0.909 1143 P CB -0.244 31.072 31.700 -0.641 0.000 0.793 1144 W N -0.370 120.836 121.300 -0.157 0.000 2.504 1144 W HA -0.095 4.565 4.660 -0.000 0.000 0.257 1144 W C 1.624 178.095 176.519 -0.079 0.000 1.225 1144 W CA 0.616 57.903 57.345 -0.097 0.000 1.205 1144 W CB -1.632 27.772 29.460 -0.093 0.000 1.137 1144 W HN 0.023 nan 8.180 nan 0.000 0.612 1145 Q N 1.129 120.661 119.800 -0.447 0.000 2.392 1145 Q HA 0.321 4.661 4.340 -0.000 0.000 0.203 1145 Q C 1.329 177.214 176.000 -0.191 0.000 0.917 1145 Q CA 0.539 56.176 55.803 -0.275 0.000 0.939 1145 Q CB -0.188 28.308 28.738 -0.404 0.000 1.063 1145 Q HN 0.283 nan 8.270 nan 0.000 0.516 1146 A N 0.396 123.108 122.820 -0.180 0.000 2.536 1146 A HA -0.035 4.285 4.320 -0.000 0.000 0.234 1146 A C 1.068 178.513 177.584 -0.231 0.000 1.076 1146 A CA 0.326 52.264 52.037 -0.166 0.000 0.769 1146 A CB 0.183 19.122 19.000 -0.103 0.000 1.020 1146 A HN 0.508 nan 8.150 nan 0.000 0.508 1147 R N 0.052 120.374 120.500 -0.297 0.000 2.109 1147 R HA -0.150 4.190 4.340 -0.000 0.000 0.227 1147 R C 0.752 176.731 176.300 -0.535 0.000 1.132 1147 R CA 1.848 57.702 56.100 -0.410 0.000 0.907 1147 R CB -0.421 29.583 30.300 -0.493 0.000 0.825 1147 R HN 0.872 nan 8.270 nan 0.000 0.432 1148 H N 0.468 119.164 119.070 -0.623 0.000 2.682 1148 H HA 0.108 4.664 4.556 -0.000 0.000 0.293 1148 H C 1.343 176.146 175.328 -0.875 0.000 1.080 1148 H CA 0.469 56.007 56.048 -0.851 0.000 1.189 1148 H CB 0.019 28.989 29.762 -1.320 0.000 1.311 1148 H HN 0.456 nan 8.280 nan 0.000 0.599 1149 A N 0.607 123.185 122.820 -0.404 0.000 1.892 1149 A HA -0.273 4.047 4.320 -0.000 0.000 0.218 1149 A C 2.407 179.975 177.584 -0.026 0.000 1.188 1149 A CA 1.826 53.773 52.037 -0.150 0.000 0.631 1149 A CB -0.351 18.606 19.000 -0.071 0.000 0.822 1149 A HN 0.431 nan 8.150 nan 0.000 0.447 1150 Q N -0.881 118.891 119.800 -0.047 0.000 2.046 1150 Q HA -0.194 4.146 4.340 -0.000 0.000 0.200 1150 Q C 2.150 178.180 176.000 0.050 0.000 0.975 1150 Q CA 1.665 57.476 55.803 0.013 0.000 0.836 1150 Q CB -0.164 28.570 28.738 -0.007 0.000 0.896 1150 Q HN 0.806 nan 8.270 nan 0.000 0.428 1151 E N -0.719 119.492 120.200 0.018 0.000 2.085 1151 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 1151 E C 1.432 178.183 176.600 0.252 0.000 0.994 1151 E CA 1.377 57.832 56.400 0.093 0.000 0.801 1151 E CB -0.081 29.656 29.700 0.061 0.000 0.743 1151 E HN 0.468 nan 8.360 nan 0.000 0.453 1152 W N 1.144 122.499 121.300 0.092 0.000 2.381 1152 W HA -0.081 4.579 4.660 -0.000 0.000 0.301 1152 W C 1.972 178.558 176.519 0.111 0.000 1.205 1152 W CA 1.001 58.405 57.345 0.097 0.000 1.285 1152 W CB -1.258 28.272 29.460 0.118 0.000 1.133 1152 W HN 0.229 nan 8.180 nan 0.000 0.521 1153 D N -0.100 120.506 120.400 0.344 0.000 2.378 1153 D HA -0.112 4.528 4.640 -0.000 0.000 0.222 1153 D C 1.463 177.879 176.300 0.193 0.000 0.980 1153 D CA 1.004 55.161 54.000 0.261 0.000 0.907 1153 D CB -0.019 40.908 40.800 0.212 0.000 0.899 1153 D HN 0.060 nan 8.370 nan 0.000 0.527 1154 K N -0.785 119.719 120.400 0.172 0.000 2.374 1154 K HA 0.152 4.472 4.320 -0.000 0.000 0.196 1154 K C 0.407 177.078 176.600 0.118 0.000 1.023 1154 K CA -0.143 56.216 56.287 0.121 0.000 1.103 1154 K CB 0.490 33.047 32.500 0.095 0.000 0.848 1154 K HN 0.210 nan 8.250 nan 0.000 0.528 1155 M N 1.437 121.126 119.600 0.148 0.000 2.205 1155 M HA 0.158 4.638 4.480 -0.000 0.000 0.344 1155 M C -0.622 175.743 176.300 0.109 0.000 1.085 1155 M CA -0.186 55.183 55.300 0.115 0.000 1.001 1155 M CB 1.633 34.304 32.600 0.119 0.000 1.626 1155 M HN -0.174 nan 8.290 nan 0.000 0.442 1156 T N 4.738 119.338 114.554 0.076 0.000 2.926 1156 T HA 0.076 4.426 4.350 -0.000 0.000 0.307 1156 T C 1.441 176.162 174.700 0.036 0.000 1.059 1156 T CA -0.342 61.796 62.100 0.064 0.000 1.122 1156 T CB 0.711 69.606 68.868 0.045 0.000 0.972 1156 T HN 0.704 nan 8.240 nan 0.000 0.545 1157 M N 2.386 121.998 119.600 0.021 0.000 2.260 1157 M HA -0.093 4.387 4.480 -0.000 0.000 0.261 1157 M C 2.056 178.326 176.300 -0.051 0.000 1.066 1157 M CA 1.598 56.873 55.300 -0.043 0.000 1.082 1157 M CB -0.851 31.646 32.600 -0.170 0.000 1.388 1157 M HN 0.625 nan 8.290 nan 0.000 0.419 1158 K N 0.277 120.651 120.400 -0.044 0.000 1.967 1158 K HA -0.183 4.137 4.320 -0.000 0.000 0.212 1158 K C 1.335 177.938 176.600 0.005 0.000 1.044 1158 K CA 2.013 58.282 56.287 -0.031 0.000 0.942 1158 K CB -0.142 32.311 32.500 -0.079 0.000 0.726 1158 K HN 0.089 nan 8.250 nan 0.000 0.440 1159 D N 1.146 121.543 120.400 -0.004 0.000 2.248 1159 D HA -0.269 4.371 4.640 -0.000 0.000 0.189 1159 D C 1.816 178.101 176.300 -0.025 0.000 1.011 1159 D CA 1.705 55.699 54.000 -0.009 0.000 0.868 1159 D CB -0.440 40.364 40.800 0.007 0.000 0.931 1159 D HN 0.208 nan 8.370 nan 0.000 0.449 1160 L N 0.313 121.517 121.223 -0.032 0.000 1.994 1160 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 1160 L C 2.156 178.981 176.870 -0.076 0.000 1.071 1160 L CA 1.461 56.259 54.840 -0.070 0.000 0.745 1160 L CB -0.481 41.519 42.059 -0.099 0.000 0.892 1160 L HN 0.124 nan 8.230 nan 0.000 0.431 1161 I N -0.164 120.382 120.570 -0.040 0.000 2.163 1161 I HA -0.314 3.856 4.170 -0.000 0.000 0.243 1161 I C 1.701 177.784 176.117 -0.057 0.000 1.085 1161 I CA 1.615 62.894 61.300 -0.035 0.000 1.347 1161 I CB -0.552 37.505 38.000 0.096 0.000 1.044 1161 I HN 0.332 nan 8.210 nan 0.000 0.408 1162 D N 0.398 120.789 120.400 -0.016 0.000 2.371 1162 D HA -0.144 4.496 4.640 -0.000 0.000 0.221 1162 D C 1.883 178.085 176.300 -0.164 0.000 0.986 1162 D CA 0.869 54.824 54.000 -0.074 0.000 0.899 1162 D CB -0.108 40.674 40.800 -0.030 0.000 0.902 1162 D HN 0.334 nan 8.370 nan 0.000 0.530 1163 K N 0.523 120.841 120.400 -0.138 0.000 2.379 1163 K HA 0.101 4.421 4.320 -0.000 0.000 0.194 1163 K C 1.567 178.078 176.600 -0.149 0.000 1.031 1163 K CA 0.209 56.404 56.287 -0.154 0.000 1.037 1163 K CB 0.431 32.875 32.500 -0.094 0.000 0.824 1163 K HN 0.203 nan 8.250 nan 0.000 0.516 1164 I N -3.538 116.950 120.570 -0.137 0.000 4.338 1164 I HA 0.294 4.464 4.170 -0.000 0.000 0.329 1164 I C -0.385 175.709 176.117 -0.040 0.000 1.378 1164 I CA -0.698 60.562 61.300 -0.067 0.000 1.170 1164 I CB 0.701 38.644 38.000 -0.095 0.000 1.206 1164 I HN -0.155 nan 8.210 nan 0.000 0.432 1165 C N 1.511 120.732 119.300 -0.131 0.000 2.281 1165 C HA 0.378 4.838 4.460 -0.000 0.000 0.323 1165 C C 0.558 175.477 174.990 -0.119 0.000 1.270 1165 C CA -0.331 58.632 59.018 -0.092 0.000 1.559 1165 C CB -0.058 27.578 27.740 -0.173 0.000 2.239 1165 C HN 0.634 nan 8.230 nan 0.000 0.488 1166 W N 1.403 122.635 121.300 -0.114 0.000 2.942 1166 W HA 0.124 4.784 4.660 -0.000 0.000 0.263 1166 W C 1.019 177.492 176.519 -0.078 0.000 1.296 1166 W CA 0.046 57.341 57.345 -0.084 0.000 1.504 1166 W CB -0.223 29.192 29.460 -0.075 0.000 1.096 1166 W HN 0.452 nan 8.180 nan 0.000 0.639 1167 T N 1.194 115.813 114.554 0.108 0.000 2.744 1167 T HA 0.099 4.449 4.350 -0.000 0.000 0.291 1167 T C 1.129 175.812 174.700 -0.029 0.000 0.957 1167 T CA -0.627 61.494 62.100 0.036 0.000 1.002 1167 T CB 1.958 70.836 68.868 0.017 0.000 0.919 1167 T HN -0.001 nan 8.240 nan 0.000 0.468 1168 K N 2.463 122.845 120.400 -0.030 0.000 2.218 1168 K HA -0.166 4.154 4.320 -0.000 0.000 0.205 1168 K C 1.688 178.246 176.600 -0.069 0.000 1.046 1168 K CA 1.493 57.744 56.287 -0.060 0.000 0.933 1168 K CB -0.146 32.334 32.500 -0.034 0.000 0.728 1168 K HN 0.563 nan 8.250 nan 0.000 0.454 1169 T N 0.572 115.108 114.554 -0.030 0.000 2.612 1169 T HA -0.086 4.264 4.350 -0.000 0.000 0.259 1169 T C 1.884 176.614 174.700 0.049 0.000 1.065 1169 T CA 1.426 63.533 62.100 0.011 0.000 1.167 1169 T CB -0.481 68.390 68.868 0.006 0.000 0.863 1169 T HN 0.402 nan 8.240 nan 0.000 0.407 1170 A N 1.810 124.638 122.820 0.013 0.000 2.042 1170 A HA -0.212 4.108 4.320 -0.000 0.000 0.222 1170 A C 2.261 179.771 177.584 -0.123 0.000 1.167 1170 A CA 2.147 54.178 52.037 -0.011 0.000 0.649 1170 A CB -0.704 18.241 19.000 -0.093 0.000 0.809 1170 A HN 0.524 nan 8.150 nan 0.000 0.457 1171 R N -0.238 120.148 120.500 -0.190 0.000 2.055 1171 R HA -0.096 4.244 4.340 -0.000 0.000 0.228 1171 R C 1.845 177.738 176.300 -0.677 0.000 1.143 1171 R CA 1.417 57.280 56.100 -0.394 0.000 0.945 1171 R CB -0.505 29.577 30.300 -0.363 0.000 0.841 1171 R HN 0.549 nan 8.270 nan 0.000 0.429 1172 E N -0.064 119.817 120.200 -0.531 0.000 2.171 1172 E HA -0.231 4.119 4.350 -0.000 0.000 0.197 1172 E C 1.882 178.392 176.600 -0.150 0.000 0.997 1172 E CA 1.353 57.477 56.400 -0.458 0.000 0.810 1172 E CB -0.261 29.347 29.700 -0.153 0.000 0.738 1172 E HN 0.365 nan 8.360 nan 0.000 0.467 1173 F N 1.274 121.160 119.950 -0.106 0.000 2.102 1173 F HA -0.224 4.303 4.527 -0.000 0.000 0.298 1173 F C 2.530 178.421 175.800 0.151 0.000 1.105 1173 F CA 1.259 59.318 58.000 0.098 0.000 1.239 1173 F CB -0.194 38.912 39.000 0.176 0.000 0.991 1173 F HN -0.024 nan 8.300 nan 0.000 0.474 1174 A N 0.025 122.948 122.820 0.172 0.000 1.873 1174 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 1174 A C 2.000 179.794 177.584 0.350 0.000 1.193 1174 A CA 2.018 54.125 52.037 0.117 0.000 0.629 1174 A CB -1.531 17.392 19.000 -0.128 0.000 0.826 1174 A HN 0.464 nan 8.150 nan 0.000 0.447 1175 Y N -0.777 119.596 120.300 0.121 0.000 2.014 1175 Y HA -0.251 4.299 4.550 -0.000 0.000 0.272 1175 Y C 2.349 178.335 175.900 0.144 0.000 1.164 1175 Y CA 1.114 59.265 58.100 0.084 0.000 1.114 1175 Y CB -1.669 36.823 38.460 0.053 0.000 0.961 1175 Y HN 0.297 nan 8.280 nan 0.000 0.489 1176 L N -0.535 120.894 121.223 0.344 0.000 1.997 1176 L HA -0.289 4.051 4.340 -0.000 0.000 0.216 1176 L C 2.380 179.482 176.870 0.387 0.000 1.074 1176 L CA 1.799 56.803 54.840 0.274 0.000 0.763 1176 L CB -1.191 40.958 42.059 0.149 0.000 0.890 1176 L HN 0.180 nan 8.230 nan 0.000 0.434 1177 F N -0.856 119.336 119.950 0.403 0.000 2.087 1177 F HA -0.297 4.230 4.527 -0.000 0.000 0.299 1177 F C 2.230 178.307 175.800 0.462 0.000 1.100 1177 F CA 2.136 60.449 58.000 0.521 0.000 1.226 1177 F CB -0.655 38.757 39.000 0.687 0.000 0.983 1177 F HN -0.048 nan 8.300 nan 0.000 0.479 1178 V N 0.868 120.997 119.914 0.357 0.000 2.295 1178 V HA -0.351 3.769 4.120 -0.000 0.000 0.246 1178 V C 2.284 178.444 176.094 0.110 0.000 1.049 1178 V CA 2.203 64.556 62.300 0.089 0.000 1.024 1178 V CB -0.827 30.885 31.823 -0.186 0.000 0.648 1178 V HN 0.377 nan 8.190 nan 0.000 0.447 1179 N N 0.370 119.132 118.700 0.105 0.000 2.043 1179 N HA -0.149 4.591 4.740 -0.000 0.000 0.193 1179 N C 1.785 177.336 175.510 0.069 0.000 1.037 1179 N CA 1.900 54.984 53.050 0.058 0.000 0.851 1179 N CB -0.437 38.095 38.487 0.075 0.000 1.027 1179 N HN 0.441 nan 8.380 nan 0.000 0.422 1180 I N 1.203 121.856 120.570 0.139 0.000 2.286 1180 I HA -0.205 3.965 4.170 -0.000 0.000 0.248 1180 I C 1.520 177.760 176.117 0.205 0.000 1.115 1180 I CA 0.982 62.381 61.300 0.166 0.000 1.392 1180 I CB -0.224 37.916 38.000 0.234 0.000 1.065 1180 I HN 0.148 nan 8.210 nan 0.000 0.418 1181 N N -0.122 118.658 118.700 0.134 0.000 2.424 1181 N HA 0.030 4.770 4.740 -0.000 0.000 0.178 1181 N C 1.201 176.864 175.510 0.254 0.000 1.060 1181 N CA 0.839 53.989 53.050 0.167 0.000 0.901 1181 N CB 1.191 39.660 38.487 -0.030 0.000 0.979 1181 N HN 0.194 nan 8.380 nan 0.000 0.451 1182 V N 0.499 120.536 119.914 0.206 0.000 3.382 1182 V HA -0.015 4.105 4.120 -0.000 0.000 0.296 1182 V C 0.423 176.524 176.094 0.010 0.000 1.529 1182 V CA 0.414 62.803 62.300 0.149 0.000 1.048 1182 V CB 0.245 32.232 31.823 0.273 0.000 0.878 1182 V HN 0.348 nan 8.190 nan 0.000 0.442 1183 T N -1.845 112.625 114.554 -0.140 0.000 3.897 1183 T HA -0.206 4.144 4.350 -0.000 0.000 0.353 1183 T C 0.150 174.741 174.700 -0.182 0.000 0.758 1183 T CA 0.964 62.889 62.100 -0.292 0.000 1.883 1183 T CB -2.147 66.382 68.868 -0.565 0.000 1.849 1183 T HN 0.520 nan 8.240 nan 0.000 0.791 1184 S N -0.168 115.434 115.700 -0.164 0.000 2.607 1184 S HA 0.576 5.046 4.470 -0.000 0.000 0.273 1184 S C -0.807 173.646 174.600 -0.246 0.000 1.148 1184 S CA -1.227 56.811 58.200 -0.271 0.000 0.833 1184 S CB 1.811 64.688 63.200 -0.538 0.000 1.130 1184 S HN 0.371 nan 8.310 nan 0.000 0.470 1185 E N 2.770 122.773 120.200 -0.329 0.000 2.331 1185 E HA 0.203 4.553 4.350 -0.000 0.000 0.272 1185 E C -1.578 174.802 176.600 -0.367 0.000 1.036 1185 E CA -2.103 54.110 56.400 -0.312 0.000 0.864 1185 E CB 0.555 30.034 29.700 -0.370 0.000 1.035 1185 E HN 0.273 nan 8.360 nan 0.000 0.408 1186 P HA -0.201 nan 4.420 nan 0.000 0.218 1186 P C 0.862 178.045 177.300 -0.195 0.000 1.146 1186 P CA 1.545 64.497 63.100 -0.246 0.000 0.813 1186 P CB 0.024 31.573 31.700 -0.252 0.000 0.778 1187 H N -0.970 117.966 119.070 -0.225 0.000 2.539 1187 H HA 0.247 4.803 4.556 -0.000 0.000 0.269 1187 H C 1.108 176.372 175.328 -0.106 0.000 0.980 1187 H CA 0.154 56.108 56.048 -0.155 0.000 1.152 1187 H CB -0.269 29.394 29.762 -0.164 0.000 1.407 1187 H HN 0.208 nan 8.280 nan 0.000 0.564 1188 E N 1.217 121.094 120.200 -0.539 0.000 2.276 1188 E HA 0.070 4.420 4.350 -0.000 0.000 0.193 1188 E C 0.961 177.442 176.600 -0.198 0.000 0.983 1188 E CA 0.381 56.539 56.400 -0.404 0.000 0.861 1188 E CB 1.005 30.356 29.700 -0.582 0.000 0.817 1188 E HN 0.328 nan 8.360 nan 0.000 0.485 1189 V N -0.857 118.958 119.914 -0.165 0.000 2.975 1189 V HA 0.440 4.560 4.120 -0.000 0.000 0.318 1189 V C -0.068 176.151 176.094 0.208 0.000 1.077 1189 V CA -1.046 61.299 62.300 0.075 0.000 1.000 1189 V CB 1.889 33.833 31.823 0.202 0.000 1.066 1189 V HN -0.016 nan 8.190 nan 0.000 0.452 1190 S N 2.703 118.623 115.700 0.366 0.000 2.505 1190 S HA 0.514 4.984 4.470 -0.000 0.000 0.276 1190 S C 1.364 176.223 174.600 0.432 0.000 1.274 1190 S CA 0.078 58.501 58.200 0.371 0.000 1.053 1190 S CB 0.692 64.142 63.200 0.417 0.000 0.919 1190 S HN 1.779 nan 8.310 nan 0.000 0.490 1191 A N 5.446 128.433 122.820 0.279 0.000 1.892 1191 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 1191 A C 2.037 179.802 177.584 0.301 0.000 1.188 1191 A CA 1.915 54.086 52.037 0.223 0.000 0.631 1191 A CB -1.082 17.968 19.000 0.082 0.000 0.822 1191 A HN 1.024 nan 8.150 nan 0.000 0.447 1192 L N -1.369 120.068 121.223 0.356 0.000 1.990 1192 L HA -0.197 4.143 4.340 -0.000 0.000 0.213 1192 L C 2.222 179.353 176.870 0.434 0.000 1.072 1192 L CA 2.771 57.868 54.840 0.427 0.000 0.755 1192 L CB -1.005 41.314 42.059 0.433 0.000 0.889 1192 L HN 0.661 nan 8.230 nan 0.000 0.432 1193 W N -0.389 121.082 121.300 0.285 0.000 2.333 1193 W HA -0.305 4.355 4.660 -0.000 0.000 0.316 1193 W C 2.428 179.245 176.519 0.496 0.000 1.215 1193 W CA 2.213 59.741 57.345 0.305 0.000 1.278 1193 W CB -0.941 28.706 29.460 0.312 0.000 1.154 1193 W HN 0.301 nan 8.180 nan 0.000 0.486 1194 F N 0.849 120.897 119.950 0.164 0.000 2.043 1194 F HA -0.278 4.249 4.527 -0.000 0.000 0.297 1194 F C 2.336 178.108 175.800 -0.047 0.000 1.121 1194 F CA 2.645 60.558 58.000 -0.145 0.000 1.199 1194 F CB -0.987 38.073 39.000 0.100 0.000 0.968 1194 F HN -0.159 nan 8.300 nan 0.000 0.478 1195 L N -1.179 120.176 121.223 0.219 0.000 2.089 1195 L HA -0.290 4.050 4.340 -0.000 0.000 0.213 1195 L C 2.322 179.191 176.870 -0.002 0.000 1.079 1195 L CA 2.020 56.916 54.840 0.092 0.000 0.758 1195 L CB -1.018 41.085 42.059 0.074 0.000 0.891 1195 L HN 0.528 nan 8.230 nan 0.000 0.433 1196 W N -0.075 121.141 121.300 -0.140 0.000 2.378 1196 W HA -0.278 4.382 4.660 -0.000 0.000 0.313 1196 W C 2.667 178.999 176.519 -0.312 0.000 1.197 1196 W CA 1.489 58.723 57.345 -0.186 0.000 1.304 1196 W CB -0.843 28.530 29.460 -0.145 0.000 1.148 1196 W HN 0.098 nan 8.180 nan 0.000 0.494 1197 Y N 0.930 120.771 120.300 -0.765 0.000 2.102 1197 Y HA -0.391 4.159 4.550 -0.000 0.000 0.280 1197 Y C 2.287 177.614 175.900 -0.954 0.000 1.178 1197 Y CA 3.355 60.768 58.100 -1.144 0.000 1.146 1197 Y CB -0.792 37.005 38.460 -1.104 0.000 0.968 1197 Y HN -0.112 nan 8.280 nan 0.000 0.504 1198 V N 0.295 119.810 119.914 -0.666 0.000 2.270 1198 V HA -0.291 3.829 4.120 -0.000 0.000 0.245 1198 V C 2.375 178.140 176.094 -0.547 0.000 1.043 1198 V CA 2.178 64.163 62.300 -0.525 0.000 1.014 1198 V CB -0.813 30.855 31.823 -0.260 0.000 0.645 1198 V HN 0.292 nan 8.190 nan 0.000 0.447 1199 R N 1.676 121.897 120.500 -0.465 0.000 2.083 1199 R HA -0.253 4.087 4.340 -0.000 0.000 0.237 1199 R C 2.341 178.287 176.300 -0.589 0.000 1.137 1199 R CA 2.360 58.216 56.100 -0.406 0.000 0.951 1199 R CB -0.875 29.273 30.300 -0.253 0.000 0.851 1199 R HN 0.744 nan 8.270 nan 0.000 0.434 1200 Q N -1.288 117.987 119.800 -0.875 0.000 2.368 1200 Q HA -0.109 4.231 4.340 -0.000 0.000 0.210 1200 Q C 1.536 176.911 176.000 -1.042 0.000 0.982 1200 Q CA 1.828 57.061 55.803 -0.949 0.000 0.884 1200 Q CB -0.608 27.275 28.738 -1.424 0.000 0.933 1200 Q HN 0.351 nan 8.270 nan 0.000 0.460 1201 C N -0.794 117.791 119.300 -1.192 0.000 2.735 1201 C HA 0.563 5.023 4.460 -0.000 0.000 0.271 1201 C C 1.442 175.671 174.990 -1.269 0.000 1.281 1201 C CA 0.247 58.211 59.018 -1.757 0.000 1.719 1201 C CB -0.308 26.384 27.740 -1.748 0.000 2.024 1201 C HN 0.817 nan 8.230 nan 0.000 0.566 1202 G N -0.023 108.349 108.800 -0.712 0.000 2.188 1202 G HA2 0.408 4.368 3.960 -0.000 0.000 0.112 1202 G HA3 0.408 4.368 3.960 -0.000 0.000 0.112 1202 G C 0.289 175.028 174.900 -0.269 0.000 1.048 1202 G CA -0.156 44.703 45.100 -0.400 0.000 0.720 1202 G HN 1.442 nan 8.290 nan 0.000 0.487 1203 G N -1.261 107.375 108.800 -0.273 0.000 2.785 1203 G HA2 0.232 4.192 3.960 -0.000 0.000 0.685 1203 G HA3 0.232 4.192 3.960 -0.000 0.000 0.685 1203 G C 1.320 176.185 174.900 -0.060 0.000 1.480 1203 G CA 0.805 45.816 45.100 -0.148 0.000 0.915 1203 G HN 1.966 nan 8.290 nan 0.000 0.576 1204 T N -0.725 113.856 114.554 0.045 0.000 2.592 1204 T HA -0.121 4.229 4.350 -0.000 0.000 0.267 1204 T C 2.755 177.539 174.700 0.139 0.000 1.060 1204 T CA 3.633 65.840 62.100 0.179 0.000 1.167 1204 T CB -0.927 67.981 68.868 0.067 0.000 0.863 1204 T HN 2.364 nan 8.240 nan 0.000 0.431 1205 A N 2.445 125.300 122.820 0.058 0.000 1.882 1205 A HA -0.276 4.044 4.320 -0.000 0.000 0.220 1205 A C 2.484 180.081 177.584 0.021 0.000 1.253 1205 A CA 3.049 55.105 52.037 0.032 0.000 0.664 1205 A CB -1.111 17.874 19.000 -0.026 0.000 0.838 1205 A HN 0.591 nan 8.150 nan 0.000 0.460 1206 R N -0.501 120.001 120.500 0.003 0.000 2.070 1206 R HA 0.011 4.351 4.340 -0.000 0.000 0.233 1206 R C 2.054 178.408 176.300 0.089 0.000 1.137 1206 R CA 1.688 57.808 56.100 0.033 0.000 0.945 1206 R CB -0.654 29.657 30.300 0.017 0.000 0.845 1206 R HN 0.576 nan 8.270 nan 0.000 0.430 1207 I N -0.240 120.364 120.570 0.057 0.000 2.657 1207 I HA -0.241 3.929 4.170 -0.000 0.000 0.261 1207 I C 1.172 177.393 176.117 0.174 0.000 1.212 1207 I CA 1.186 62.543 61.300 0.095 0.000 1.453 1207 I CB 0.039 38.038 38.000 -0.002 0.000 1.092 1207 I HN 0.275 nan 8.210 nan 0.000 0.452 1208 F N -0.294 119.647 119.950 -0.015 0.000 2.592 1208 F HA 0.255 4.781 4.527 -0.000 0.000 0.280 1208 F C 1.574 177.265 175.800 -0.181 0.000 1.083 1208 F CA -0.173 57.767 58.000 -0.100 0.000 1.365 1208 F CB 0.111 38.997 39.000 -0.190 0.000 1.100 1208 F HN -0.236 nan 8.300 nan 0.000 0.633 1209 S N 0.617 116.324 115.700 0.012 0.000 2.558 1209 S HA 0.018 4.488 4.470 -0.000 0.000 0.287 1209 S C 0.885 175.414 174.600 -0.119 0.000 1.321 1209 S CA 0.338 58.507 58.200 -0.052 0.000 1.048 1209 S CB 1.693 64.879 63.200 -0.025 0.000 0.844 1209 S HN 0.229 nan 8.310 nan 0.000 0.512 1210 V N 2.428 122.270 119.914 -0.120 0.000 2.908 1210 V HA -0.052 4.068 4.120 -0.000 0.000 0.240 1210 V C 1.943 177.987 176.094 -0.084 0.000 1.117 1210 V CA 1.414 63.630 62.300 -0.140 0.000 1.133 1210 V CB -0.528 31.197 31.823 -0.163 0.000 0.857 1210 V HN 1.025 nan 8.190 nan 0.000 0.478 1211 T N 0.731 115.253 114.554 -0.053 0.000 2.881 1211 T HA -0.131 4.219 4.350 -0.000 0.000 0.270 1211 T C 1.352 176.036 174.700 -0.028 0.000 1.068 1211 T CA 1.966 64.048 62.100 -0.030 0.000 1.131 1211 T CB -0.238 68.625 68.868 -0.009 0.000 0.871 1211 T HN 0.495 nan 8.240 nan 0.000 0.479 1212 N N 0.160 118.842 118.700 -0.030 0.000 2.110 1212 N HA 0.237 4.977 4.740 -0.000 0.000 0.230 1212 N C 0.171 175.664 175.510 -0.028 0.000 1.353 1212 N CA -0.039 52.996 53.050 -0.025 0.000 0.807 1212 N CB 0.569 39.051 38.487 -0.009 0.000 1.244 1212 N HN 0.312 nan 8.380 nan 0.000 0.504 1213 G N -1.726 107.048 108.800 -0.044 0.000 2.642 1213 G HA2 0.443 4.403 3.960 -0.000 0.000 0.291 1213 G HA3 0.443 4.403 3.960 -0.000 0.000 0.291 1213 G C 0.813 175.665 174.900 -0.081 0.000 1.345 1213 G CA -0.357 44.724 45.100 -0.032 0.000 1.043 1213 G HN 0.092 nan 8.290 nan 0.000 0.528 1214 G N -0.913 107.847 108.800 -0.067 0.000 2.776 1214 G HA2 0.067 4.027 3.960 -0.000 0.000 0.209 1214 G HA3 0.067 4.027 3.960 -0.000 0.000 0.209 1214 G C 0.894 175.716 174.900 -0.131 0.000 1.145 1214 G CA 0.434 45.405 45.100 -0.215 0.000 0.791 1214 G HN 0.387 nan 8.290 nan 0.000 0.530 1215 Q N 0.099 119.810 119.800 -0.147 0.000 2.201 1215 Q HA 0.203 4.543 4.340 -0.000 0.000 0.236 1215 Q C 1.128 177.046 176.000 -0.137 0.000 0.857 1215 Q CA -0.199 55.467 55.803 -0.229 0.000 1.025 1215 Q CB 0.543 29.024 28.738 -0.427 0.000 1.124 1215 Q HN 0.653 nan 8.270 nan 0.000 0.473 1216 E N 2.048 122.182 120.200 -0.108 0.000 2.107 1216 E HA -0.097 4.253 4.350 -0.000 0.000 0.191 1216 E C 0.213 176.754 176.600 -0.099 0.000 0.982 1216 E CA 0.744 57.087 56.400 -0.095 0.000 0.809 1216 E CB 0.468 30.109 29.700 -0.098 0.000 0.756 1216 E HN 0.357 nan 8.360 nan 0.000 0.459 1217 R N -1.227 119.190 120.500 -0.138 0.000 2.716 1217 R HA 0.441 4.781 4.340 -0.000 0.000 0.271 1217 R C -1.177 174.862 176.300 -0.434 0.000 1.028 1217 R CA -0.996 54.939 56.100 -0.275 0.000 0.883 1217 R CB 1.172 31.323 30.300 -0.247 0.000 1.250 1217 R HN -0.237 nan 8.270 nan 0.000 0.465 1218 K N 0.464 120.431 120.400 -0.722 0.000 2.354 1218 K HA 0.471 4.791 4.320 -0.000 0.000 0.238 1218 K C -0.952 175.362 176.600 -0.476 0.000 1.068 1218 K CA -0.812 55.043 56.287 -0.720 0.000 0.925 1218 K CB 1.203 33.305 32.500 -0.663 0.000 1.286 1218 K HN 0.292 nan 8.250 nan 0.000 0.500 1219 F N 1.109 121.041 119.950 -0.029 0.000 2.410 1219 F HA 0.195 4.722 4.527 -0.000 0.000 0.349 1219 F C 0.166 176.029 175.800 0.105 0.000 1.117 1219 F CA -1.244 56.776 58.000 0.034 0.000 1.104 1219 F CB 1.405 40.384 39.000 -0.034 0.000 1.122 1219 F HN -0.010 nan 8.300 nan 0.000 0.483 1220 V N 3.859 123.947 119.914 0.291 0.000 2.403 1220 V HA 0.298 4.418 4.120 -0.000 0.000 0.265 1220 V C 0.801 176.529 176.094 -0.611 0.000 1.034 1220 V CA 1.025 63.308 62.300 -0.029 0.000 1.036 1220 V CB -0.038 31.820 31.823 0.057 0.000 1.032 1220 V HN 1.141 nan 8.190 nan 0.000 0.478 1221 G N 3.229 110.940 108.800 -1.815 0.000 2.284 1221 G HA2 0.247 4.207 3.960 -0.000 0.000 0.201 1221 G HA3 0.247 4.207 3.960 -0.000 0.000 0.201 1221 G C 0.582 174.857 174.900 -1.041 0.000 0.998 1221 G CA -0.247 43.886 45.100 -1.612 0.000 0.651 1221 G HN 2.206 nan 8.290 nan 0.000 0.489 1222 G N -0.778 107.672 108.800 -0.583 0.000 3.055 1222 G HA2 0.398 4.358 3.960 -0.000 0.000 0.685 1222 G HA3 0.398 4.358 3.960 -0.000 0.000 0.685 1222 G C 0.860 175.845 174.900 0.141 0.000 1.212 1222 G CA 0.886 46.067 45.100 0.134 0.000 0.822 1222 G HN 1.837 nan 8.290 nan 0.000 0.610 1223 S N 0.895 116.780 115.700 0.308 0.000 2.419 1223 S HA -0.035 4.435 4.470 -0.000 0.000 0.235 1223 S C 2.674 177.364 174.600 0.149 0.000 1.019 1223 S CA 2.055 60.480 58.200 0.375 0.000 0.982 1223 S CB -0.422 63.023 63.200 0.407 0.000 0.789 1223 S HN 2.228 nan 8.310 nan 0.000 0.490 1224 G N 1.674 110.565 108.800 0.152 0.000 2.469 1224 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.219 1224 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.219 1224 G C 1.477 176.408 174.900 0.051 0.000 1.150 1224 G CA 0.995 46.175 45.100 0.132 0.000 0.763 1224 G HN 0.658 nan 8.290 nan 0.000 0.561 1225 Q N -0.127 119.666 119.800 -0.012 0.000 2.173 1225 Q HA -0.166 4.174 4.340 -0.000 0.000 0.208 1225 Q C 2.797 178.738 176.000 -0.097 0.000 0.989 1225 Q CA 1.645 57.403 55.803 -0.074 0.000 0.872 1225 Q CB -0.490 28.160 28.738 -0.147 0.000 0.909 1225 Q HN 0.445 nan 8.270 nan 0.000 0.420 1226 V N 0.703 120.533 119.914 -0.141 0.000 2.324 1226 V HA -0.311 3.809 4.120 -0.000 0.000 0.250 1226 V C 2.204 178.259 176.094 -0.065 0.000 1.060 1226 V CA 2.197 64.407 62.300 -0.149 0.000 1.042 1226 V CB -0.653 31.064 31.823 -0.177 0.000 0.650 1226 V HN 0.321 nan 8.190 nan 0.000 0.450 1227 S N -0.566 115.123 115.700 -0.017 0.000 2.357 1227 S HA -0.150 4.320 4.470 -0.000 0.000 0.221 1227 S C 1.866 176.467 174.600 0.001 0.000 1.031 1227 S CA 1.307 59.511 58.200 0.007 0.000 0.982 1227 S CB -0.295 62.930 63.200 0.042 0.000 0.853 1227 S HN 0.720 nan 8.310 nan 0.000 0.458 1228 E N 1.335 121.539 120.200 0.007 0.000 2.049 1228 E HA -0.213 4.137 4.350 -0.000 0.000 0.198 1228 E C 2.317 178.908 176.600 -0.015 0.000 1.007 1228 E CA 1.059 57.463 56.400 0.005 0.000 0.809 1228 E CB -0.218 29.488 29.700 0.009 0.000 0.749 1228 E HN 0.376 nan 8.360 nan 0.000 0.450 1229 Q N 0.769 120.547 119.800 -0.036 0.000 1.948 1229 Q HA -0.154 4.186 4.340 -0.000 0.000 0.205 1229 Q C 2.381 178.361 176.000 -0.033 0.000 0.992 1229 Q CA 1.060 56.836 55.803 -0.045 0.000 0.849 1229 Q CB -0.715 27.980 28.738 -0.072 0.000 0.918 1229 Q HN 0.377 nan 8.270 nan 0.000 0.421 1230 I N 0.499 121.048 120.570 -0.035 0.000 2.730 1230 I HA -0.282 3.888 4.170 -0.000 0.000 0.266 1230 I C 2.186 178.295 176.117 -0.014 0.000 1.228 1230 I CA 0.780 62.065 61.300 -0.025 0.000 1.445 1230 I CB -0.004 37.981 38.000 -0.025 0.000 1.102 1230 I HN 0.264 nan 8.210 nan 0.000 0.464 1231 M N -0.292 119.302 119.600 -0.011 0.000 2.287 1231 M HA 0.021 4.501 4.480 -0.000 0.000 0.266 1231 M C 2.042 178.340 176.300 -0.003 0.000 1.079 1231 M CA 1.648 56.945 55.300 -0.005 0.000 1.146 1231 M CB -0.328 32.272 32.600 -0.001 0.000 1.374 1231 M HN 0.212 nan 8.290 nan 0.000 0.435 1232 G N 1.087 109.883 108.800 -0.006 0.000 2.432 1232 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.219 1232 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.219 1232 G C 1.378 176.276 174.900 -0.003 0.000 1.135 1232 G CA 0.679 45.776 45.100 -0.005 0.000 0.767 1232 G HN 0.473 nan 8.290 nan 0.000 0.550 1233 L N -0.435 120.784 121.223 -0.006 0.000 2.291 1233 L HA 0.136 4.476 4.340 -0.000 0.000 0.214 1233 L C 2.531 179.403 176.870 0.004 0.000 1.120 1233 L CA 0.371 55.209 54.840 -0.004 0.000 0.799 1233 L CB -0.233 41.822 42.059 -0.007 0.000 0.925 1233 L HN 0.224 nan 8.230 nan 0.000 0.446 1234 L N -1.435 119.792 121.223 0.006 0.000 2.357 1234 L HA 0.243 4.583 4.340 -0.000 0.000 0.211 1234 L C 1.949 178.832 176.870 0.021 0.000 1.075 1234 L CA 0.511 55.360 54.840 0.015 0.000 0.830 1234 L CB -0.673 41.392 42.059 0.010 0.000 0.996 1234 L HN 0.334 nan 8.230 nan 0.000 0.467 1235 G N 1.313 110.122 108.800 0.015 0.000 2.692 1235 G HA2 -0.517 3.443 3.960 -0.000 0.000 0.339 1235 G HA3 -0.517 3.443 3.960 -0.000 0.000 0.339 1235 G C 0.945 175.863 174.900 0.030 0.000 1.226 1235 G CA 0.907 46.019 45.100 0.019 0.000 0.979 1235 G HN 0.364 nan 8.290 nan 0.000 0.549 1236 D N 0.879 121.304 120.400 0.041 0.000 2.191 1236 D HA -0.152 4.488 4.640 -0.000 0.000 0.190 1236 D C 1.984 178.334 176.300 0.084 0.000 1.007 1236 D CA 1.784 55.821 54.000 0.062 0.000 0.865 1236 D CB -0.223 40.616 40.800 0.066 0.000 0.929 1236 D HN 0.599 nan 8.370 nan 0.000 0.447 1237 K N -0.276 120.174 120.400 0.083 0.000 2.706 1237 K HA 0.104 4.424 4.320 -0.000 0.000 0.217 1237 K C -0.482 176.123 176.600 0.008 0.000 1.019 1237 K CA -0.096 56.247 56.287 0.093 0.000 1.181 1237 K CB 0.700 33.270 32.500 0.117 0.000 0.940 1237 K HN -0.013 nan 8.250 nan 0.000 0.491 1238 V N 2.419 122.332 119.914 -0.002 0.000 2.439 1238 V HA 0.104 4.224 4.120 -0.000 0.000 0.277 1238 V C -0.668 175.404 176.094 -0.037 0.000 1.008 1238 V CA -1.052 61.224 62.300 -0.041 0.000 0.846 1238 V CB 1.293 33.100 31.823 -0.026 0.000 1.031 1238 V HN 0.080 nan 8.190 nan 0.000 0.441 1239 K N 5.364 125.721 120.400 -0.072 0.000 2.276 1239 K HA 0.540 4.860 4.320 -0.000 0.000 0.285 1239 K C -0.284 176.282 176.600 -0.057 0.000 1.062 1239 K CA -0.142 56.119 56.287 -0.043 0.000 0.918 1239 K CB 1.697 34.169 32.500 -0.046 0.000 1.055 1239 K HN 0.483 nan 8.250 nan 0.000 0.477 1240 L N 0.668 121.871 121.223 -0.033 0.000 2.469 1240 L HA 0.137 4.477 4.340 -0.000 0.000 0.253 1240 L C 0.813 177.651 176.870 -0.053 0.000 1.143 1240 L CA -0.555 54.256 54.840 -0.048 0.000 0.804 1240 L CB 0.436 42.477 42.059 -0.031 0.000 1.214 1240 L HN 0.710 nan 8.230 nan 0.000 0.476 1241 S N 0.335 115.986 115.700 -0.082 0.000 3.491 1241 S HA -0.155 4.315 4.470 -0.000 0.000 0.371 1241 S C -0.002 174.553 174.600 -0.076 0.000 0.980 1241 S CA 0.630 58.777 58.200 -0.089 0.000 1.204 1241 S CB -1.038 62.134 63.200 -0.047 0.000 0.915 1241 S HN 0.636 nan 8.310 nan 0.000 0.482 1242 S N 1.201 116.842 115.700 -0.099 0.000 2.204 1242 S HA 0.336 4.806 4.470 -0.000 0.000 0.147 1242 S C -2.700 171.840 174.600 -0.100 0.000 1.711 1242 S CA -0.937 57.224 58.200 -0.066 0.000 1.274 1242 S CB 1.251 64.427 63.200 -0.040 0.000 1.257 1242 S HN 0.120 nan 8.310 nan 0.000 0.404 1243 P HA 0.104 nan 4.420 nan 0.000 0.265 1243 P C -0.125 177.163 177.300 -0.019 0.000 1.222 1243 P CA -0.051 62.994 63.100 -0.091 0.000 0.767 1243 P CB 0.452 32.125 31.700 -0.045 0.000 0.801 1244 V N 3.956 123.855 119.914 -0.024 0.000 2.763 1244 V HA 0.021 4.141 4.120 -0.000 0.000 0.306 1244 V C 1.533 177.636 176.094 0.015 0.000 1.059 1244 V CA 1.272 63.557 62.300 -0.025 0.000 1.138 1244 V CB 0.776 32.559 31.823 -0.065 0.000 0.940 1244 V HN 0.616 nan 8.190 nan 0.000 0.489 1245 T N 3.002 117.569 114.554 0.022 0.000 3.046 1245 T HA 0.219 4.569 4.350 -0.000 0.000 0.270 1245 T C -0.751 174.023 174.700 0.124 0.000 0.920 1245 T CA 0.014 62.155 62.100 0.070 0.000 0.874 1245 T CB 0.013 68.904 68.868 0.039 0.000 1.214 1245 T HN 0.595 nan 8.240 nan 0.000 0.536 1246 Y N 0.813 121.040 120.300 -0.122 0.000 2.482 1246 Y HA 0.627 5.177 4.550 -0.000 0.000 0.334 1246 Y C -2.178 173.595 175.900 -0.211 0.000 1.091 1246 Y CA -1.745 56.264 58.100 -0.152 0.000 1.027 1246 Y CB 1.291 39.685 38.460 -0.110 0.000 1.306 1246 Y HN 0.046 nan 8.280 nan 0.000 0.446 1247 I N 5.759 125.873 120.570 -0.759 0.000 2.497 1247 I HA 0.250 4.420 4.170 -0.000 0.000 0.284 1247 I C -1.526 174.131 176.117 -0.766 0.000 1.060 1247 I CA -0.626 60.279 61.300 -0.659 0.000 1.071 1247 I CB 1.706 39.398 38.000 -0.514 0.000 1.216 1247 I HN 0.536 nan 8.210 nan 0.000 0.442 1248 D N 6.903 126.885 120.400 -0.697 0.000 2.414 1248 D HA 0.259 4.899 4.640 -0.000 0.000 0.232 1248 D C -0.343 175.843 176.300 -0.190 0.000 1.070 1248 D CA -0.276 53.456 54.000 -0.446 0.000 0.839 1248 D CB 1.279 41.873 40.800 -0.344 0.000 1.079 1248 D HN 0.593 nan 8.370 nan 0.000 0.521 1249 Q N 1.347 121.081 119.800 -0.110 0.000 2.324 1249 Q HA 0.248 4.588 4.340 -0.000 0.000 0.373 1249 Q C 0.070 176.052 176.000 -0.030 0.000 0.909 1249 Q CA -0.515 55.251 55.803 -0.062 0.000 1.135 1249 Q CB 0.331 29.040 28.738 -0.048 0.000 1.313 1249 Q HN 0.264 nan 8.270 nan 0.000 0.417 1250 T N -4.268 110.275 114.554 -0.018 0.000 3.015 1250 T HA 0.093 4.443 4.350 -0.000 0.000 0.250 1250 T C 0.550 175.251 174.700 0.002 0.000 1.057 1250 T CA 0.056 62.156 62.100 0.000 0.000 1.066 1250 T CB 0.240 69.118 68.868 0.016 0.000 0.959 1250 T HN 0.243 nan 8.240 nan 0.000 0.488 1251 D N 1.494 121.896 120.400 0.002 0.000 2.451 1251 D HA 0.169 4.809 4.640 -0.000 0.000 0.259 1251 D C 0.605 176.901 176.300 -0.006 0.000 1.201 1251 D CA -0.419 53.585 54.000 0.008 0.000 1.028 1251 D CB 1.076 41.890 40.800 0.022 0.000 1.095 1251 D HN -0.015 nan 8.370 nan 0.000 0.539 1252 D N -0.288 120.112 120.400 -0.001 0.000 2.219 1252 D HA -0.057 4.582 4.640 -0.000 0.000 0.205 1252 D C -0.033 176.252 176.300 -0.024 0.000 0.970 1252 D CA 0.980 54.972 54.000 -0.012 0.000 0.851 1252 D CB 0.294 41.094 40.800 0.000 0.000 0.943 1252 D HN 0.204 nan 8.370 nan 0.000 0.488 1253 N N 0.465 119.161 118.700 -0.006 0.000 2.321 1253 N HA 0.310 5.050 4.740 -0.000 0.000 0.299 1253 N C -0.292 175.214 175.510 -0.006 0.000 1.048 1253 N CA -0.442 52.608 53.050 0.000 0.000 0.836 1253 N CB 2.456 40.968 38.487 0.041 0.000 1.269 1253 N HN -0.062 nan 8.380 nan 0.000 0.486 1254 I N 2.622 123.176 120.570 -0.026 0.000 2.441 1254 I HA 0.238 4.408 4.170 -0.000 0.000 0.287 1254 I C 0.609 176.707 176.117 -0.033 0.000 1.049 1254 I CA -0.249 61.023 61.300 -0.046 0.000 1.381 1254 I CB 0.683 38.642 38.000 -0.067 0.000 1.409 1254 I HN 0.250 nan 8.210 nan 0.000 0.523 1255 I N 6.605 127.130 120.570 -0.075 0.000 2.499 1255 I HA 0.394 4.564 4.170 -0.000 0.000 0.296 1255 I C -0.473 175.528 176.117 -0.192 0.000 0.992 1255 I CA -0.627 60.599 61.300 -0.123 0.000 1.297 1255 I CB 1.704 39.660 38.000 -0.073 0.000 1.410 1255 I HN 0.203 nan 8.210 nan 0.000 0.507 1256 V N 5.347 125.137 119.914 -0.207 0.000 2.610 1256 V HA 0.237 4.357 4.120 -0.000 0.000 0.288 1256 V C -0.632 175.432 176.094 -0.051 0.000 1.055 1256 V CA -0.680 61.546 62.300 -0.122 0.000 0.902 1256 V CB 1.659 33.432 31.823 -0.083 0.000 1.030 1256 V HN 0.724 nan 8.190 nan 0.000 0.448 1257 E N 2.201 122.414 120.200 0.022 0.000 2.212 1257 E HA 0.705 5.055 4.350 -0.000 0.000 0.270 1257 E C -0.071 176.577 176.600 0.079 0.000 0.956 1257 E CA -0.616 55.822 56.400 0.065 0.000 0.825 1257 E CB 2.686 32.431 29.700 0.075 0.000 1.167 1257 E HN 0.756 nan 8.360 nan 0.000 0.400 1258 T N -1.356 113.250 114.554 0.087 0.000 2.855 1258 T HA 0.260 4.610 4.350 -0.000 0.000 0.275 1258 T C 0.541 175.219 174.700 -0.037 0.000 1.022 1258 T CA -0.688 61.437 62.100 0.040 0.000 0.977 1258 T CB 0.386 69.300 68.868 0.076 0.000 1.559 1258 T HN 0.270 nan 8.240 nan 0.000 0.600 1259 L N 0.684 121.872 121.223 -0.059 0.000 2.585 1259 L HA 0.384 4.724 4.340 -0.000 0.000 0.226 1259 L C 1.509 178.254 176.870 -0.207 0.000 1.113 1259 L CA 0.619 55.374 54.840 -0.143 0.000 0.876 1259 L CB -0.727 41.295 42.059 -0.061 0.000 1.072 1259 L HN 0.564 nan 8.230 nan 0.000 0.468 1260 N N -0.876 117.773 118.700 -0.084 0.000 2.398 1260 N HA -0.048 4.692 4.740 -0.000 0.000 0.188 1260 N C -0.059 175.500 175.510 0.082 0.000 1.122 1260 N CA 0.327 53.377 53.050 -0.001 0.000 0.866 1260 N CB -0.073 38.447 38.487 0.056 0.000 0.970 1260 N HN 0.390 nan 8.380 nan 0.000 0.462 1261 H N -1.167 117.919 119.070 0.026 0.000 3.433 1261 H HA -0.099 4.457 4.556 -0.000 0.000 0.197 1261 H C -0.242 175.095 175.328 0.016 0.000 1.059 1261 H CA 0.607 56.662 56.048 0.012 0.000 1.185 1261 H CB -1.075 28.685 29.762 -0.003 0.000 1.106 1261 H HN 0.280 nan 8.280 nan 0.000 0.329 1262 E N 0.885 121.151 120.200 0.110 0.000 2.392 1262 E HA 0.295 4.645 4.350 -0.000 0.000 0.256 1262 E C 0.539 177.154 176.600 0.026 0.000 1.145 1262 E CA 0.040 56.455 56.400 0.026 0.000 0.929 1262 E CB 1.056 30.804 29.700 0.079 0.000 0.998 1262 E HN 0.340 nan 8.360 nan 0.000 0.442 1263 H N 0.842 119.706 119.070 -0.343 0.000 2.856 1263 H HA 0.317 4.873 4.556 -0.000 0.000 0.355 1263 H C -1.650 173.419 175.328 -0.432 0.000 1.079 1263 H CA -0.438 55.488 56.048 -0.202 0.000 1.240 1263 H CB 0.448 30.147 29.762 -0.106 0.000 1.701 1263 H HN 0.374 nan 8.280 nan 0.000 0.527 1264 Y N 1.664 122.003 120.300 0.066 0.000 2.524 1264 Y HA 0.358 4.908 4.550 -0.000 0.000 0.347 1264 Y C -0.045 175.901 175.900 0.077 0.000 1.005 1264 Y CA -0.857 57.336 58.100 0.155 0.000 1.025 1264 Y CB 1.932 40.412 38.460 0.033 0.000 1.275 1264 Y HN 0.449 nan 8.280 nan 0.000 0.460 1265 E N 1.811 122.220 120.200 0.347 0.000 2.244 1265 E HA 0.777 5.127 4.350 -0.000 0.000 0.266 1265 E C -1.127 175.611 176.600 0.230 0.000 0.914 1265 E CA -0.902 55.631 56.400 0.222 0.000 0.794 1265 E CB 2.405 32.238 29.700 0.222 0.000 1.210 1265 E HN 0.776 nan 8.360 nan 0.000 0.414 1266 C N -0.404 118.973 119.300 0.129 0.000 3.321 1266 C HA 0.470 4.930 4.460 -0.000 0.000 0.329 1266 C C 0.627 175.635 174.990 0.030 0.000 1.394 1266 C CA -0.838 58.252 59.018 0.120 0.000 1.291 1266 C CB 1.567 29.369 27.740 0.103 0.000 1.606 1266 C HN 0.674 nan 8.230 nan 0.000 0.463 1267 K N -0.768 119.645 120.400 0.021 0.000 2.323 1267 K HA 0.328 4.648 4.320 -0.000 0.000 0.197 1267 K C -0.720 175.612 176.600 -0.447 0.000 1.043 1267 K CA 1.041 57.233 56.287 -0.159 0.000 0.997 1267 K CB -0.004 32.472 32.500 -0.039 0.000 0.807 1267 K HN 0.783 nan 8.250 nan 0.000 0.497 1268 Y N -1.565 118.758 120.300 0.037 0.000 2.581 1268 Y HA 0.335 4.885 4.550 -0.000 0.000 0.337 1268 Y C -0.695 175.213 175.900 0.012 0.000 1.108 1268 Y CA -1.092 57.033 58.100 0.042 0.000 1.033 1268 Y CB 2.036 40.502 38.460 0.010 0.000 1.318 1268 Y HN -0.459 nan 8.280 nan 0.000 0.459 1269 V N 3.745 123.777 119.914 0.198 0.000 2.656 1269 V HA 0.519 4.639 4.120 -0.000 0.000 0.307 1269 V C -0.731 175.391 176.094 0.047 0.000 1.051 1269 V CA -0.820 61.516 62.300 0.059 0.000 0.893 1269 V CB 2.192 34.005 31.823 -0.017 0.000 0.999 1269 V HN 0.561 nan 8.190 nan 0.000 0.426 1270 I N 2.885 123.439 120.570 -0.026 0.000 2.418 1270 I HA 0.355 4.525 4.170 -0.000 0.000 0.287 1270 I C -0.019 176.046 176.117 -0.087 0.000 1.008 1270 I CA -0.260 61.011 61.300 -0.049 0.000 1.104 1270 I CB 2.087 40.063 38.000 -0.041 0.000 1.264 1270 I HN 0.628 nan 8.210 nan 0.000 0.438 1271 S N 5.451 121.061 115.700 -0.150 0.000 2.399 1271 S HA 0.516 4.986 4.470 -0.000 0.000 0.301 1271 S C 0.446 175.073 174.600 0.046 0.000 1.093 1271 S CA -0.427 57.731 58.200 -0.069 0.000 1.077 1271 S CB 0.743 63.872 63.200 -0.118 0.000 0.980 1271 S HN 0.707 nan 8.310 nan 0.000 0.494 1272 A N 5.794 128.642 122.820 0.047 0.000 2.842 1272 A HA 0.481 4.801 4.320 -0.000 0.000 0.298 1272 A C 0.352 177.994 177.584 0.097 0.000 1.293 1272 A CA -0.671 51.411 52.037 0.075 0.000 0.959 1272 A CB -0.722 18.302 19.000 0.040 0.000 1.119 1272 A HN 0.950 nan 8.150 nan 0.000 0.564 1273 I N -4.359 116.287 120.570 0.126 0.000 2.846 1273 I HA 0.685 4.855 4.170 -0.000 0.000 0.307 1273 I C -3.043 173.165 176.117 0.152 0.000 1.053 1273 I CA -3.115 58.265 61.300 0.133 0.000 1.050 1273 I CB 1.691 39.770 38.000 0.131 0.000 1.239 1273 I HN -0.173 nan 8.210 nan 0.000 0.439 1274 P HA 0.124 nan 4.420 nan 0.000 0.264 1274 P C -2.169 175.184 177.300 0.090 0.000 1.183 1274 P CA -0.526 62.641 63.100 0.111 0.000 0.763 1274 P CB 0.100 31.855 31.700 0.091 0.000 0.807 1275 P HA -0.229 nan 4.420 nan 0.000 0.217 1275 P C 1.557 178.836 177.300 -0.035 0.000 1.162 1275 P CA 1.256 64.354 63.100 -0.002 0.000 0.901 1275 P CB -0.240 31.419 31.700 -0.069 0.000 0.793 1276 I N -1.233 119.297 120.570 -0.066 0.000 2.264 1276 I HA -0.186 3.984 4.170 -0.000 0.000 0.248 1276 I C 2.003 178.100 176.117 -0.033 0.000 1.111 1276 I CA 1.614 62.864 61.300 -0.084 0.000 1.382 1276 I CB -1.198 36.736 38.000 -0.111 0.000 1.060 1276 I HN -0.017 nan 8.210 nan 0.000 0.418 1277 L N -0.468 120.761 121.223 0.010 0.000 2.551 1277 L HA -0.111 4.229 4.340 -0.000 0.000 0.228 1277 L C 2.138 179.058 176.870 0.084 0.000 1.153 1277 L CA 0.449 55.311 54.840 0.037 0.000 0.851 1277 L CB -0.744 41.356 42.059 0.068 0.000 0.959 1277 L HN 0.147 nan 8.230 nan 0.000 0.451 1278 T N 0.158 114.775 114.554 0.106 0.000 2.929 1278 T HA -0.141 4.209 4.350 -0.000 0.000 0.271 1278 T C 1.922 176.755 174.700 0.220 0.000 1.085 1278 T CA 1.239 63.461 62.100 0.203 0.000 1.125 1278 T CB 0.006 68.997 68.868 0.205 0.000 0.874 1278 T HN 0.487 nan 8.240 nan 0.000 0.494 1279 A N 1.048 123.926 122.820 0.096 0.000 2.119 1279 A HA 0.013 4.333 4.320 -0.000 0.000 0.217 1279 A C 2.118 179.718 177.584 0.027 0.000 1.153 1279 A CA 0.797 52.866 52.037 0.054 0.000 0.692 1279 A CB -0.170 18.812 19.000 -0.029 0.000 0.799 1279 A HN 0.192 nan 8.150 nan 0.000 0.458 1280 K N -0.153 120.275 120.400 0.047 0.000 2.515 1280 K HA 0.085 4.405 4.320 -0.000 0.000 0.196 1280 K C 0.107 176.757 176.600 0.084 0.000 1.038 1280 K CA 0.479 56.793 56.287 0.045 0.000 0.967 1280 K CB -0.257 32.278 32.500 0.057 0.000 0.780 1280 K HN 0.540 nan 8.250 nan 0.000 0.483 1281 I N 0.955 121.569 120.570 0.073 0.000 2.460 1281 I HA 0.117 4.287 4.170 -0.000 0.000 0.298 1281 I C 0.208 176.304 176.117 -0.036 0.000 0.989 1281 I CA -0.642 60.648 61.300 -0.016 0.000 1.173 1281 I CB 1.325 39.166 38.000 -0.266 0.000 1.338 1281 I HN -0.006 nan 8.210 nan 0.000 0.456 1282 H N 5.897 124.920 119.070 -0.078 0.000 2.556 1282 H HA 0.331 4.887 4.556 -0.000 0.000 0.310 1282 H C -1.093 174.198 175.328 -0.061 0.000 1.057 1282 H CA -0.460 55.639 56.048 0.085 0.000 1.264 1282 H CB 1.109 30.973 29.762 0.169 0.000 1.404 1282 H HN 0.283 nan 8.280 nan 0.000 0.462 1283 F N 2.242 122.253 119.950 0.101 0.000 2.404 1283 F HA 0.105 4.632 4.527 -0.000 0.000 0.339 1283 F C 1.447 177.250 175.800 0.004 0.000 1.105 1283 F CA -0.787 57.209 58.000 -0.007 0.000 1.087 1283 F CB 1.233 40.222 39.000 -0.018 0.000 1.143 1283 F HN 0.431 nan 8.300 nan 0.000 0.491 1284 K N 3.729 124.143 120.400 0.023 0.000 1.969 1284 K HA 0.027 4.347 4.320 -0.000 0.000 0.220 1284 K C -1.940 174.719 176.600 0.098 0.000 1.040 1284 K CA 0.896 57.212 56.287 0.048 0.000 0.981 1284 K CB -1.328 31.131 32.500 -0.069 0.000 0.746 1284 K HN 0.269 nan 8.250 nan 0.000 0.444 1285 P HA 0.091 nan 4.420 nan 0.000 0.273 1285 P C -1.281 176.060 177.300 0.067 0.000 1.319 1285 P CA 0.079 63.214 63.100 0.058 0.000 0.885 1285 P CB 0.449 32.170 31.700 0.035 0.000 1.015 1286 E N 2.468 122.706 120.200 0.064 0.000 2.975 1286 E HA -0.109 4.241 4.350 -0.000 0.000 0.269 1286 E C 0.090 176.669 176.600 -0.036 0.000 0.905 1286 E CA 0.082 56.502 56.400 0.035 0.000 0.967 1286 E CB 0.075 29.784 29.700 0.015 0.000 0.925 1286 E HN 0.294 nan 8.360 nan 0.000 0.507 1287 L N 4.690 125.835 121.223 -0.130 0.000 2.482 1287 L HA 0.120 4.460 4.340 -0.000 0.000 0.273 1287 L C -1.992 174.783 176.870 -0.157 0.000 1.228 1287 L CA -1.164 53.550 54.840 -0.209 0.000 0.827 1287 L CB -0.690 41.121 42.059 -0.414 0.000 1.099 1287 L HN 0.375 nan 8.230 nan 0.000 0.494 1288 P HA 0.062 nan 4.420 nan 0.000 0.268 1288 P C -2.037 175.168 177.300 -0.158 0.000 1.208 1288 P CA -0.858 62.169 63.100 -0.122 0.000 0.777 1288 P CB 0.065 31.699 31.700 -0.109 0.000 0.875 1289 P HA -0.263 nan 4.420 nan 0.000 0.213 1289 P C 1.188 178.326 177.300 -0.270 0.000 1.176 1289 P CA 1.726 64.726 63.100 -0.167 0.000 0.919 1289 P CB -0.143 31.497 31.700 -0.099 0.000 0.791 1290 E N -0.623 119.447 120.200 -0.216 0.000 2.095 1290 E HA -0.279 4.071 4.350 -0.000 0.000 0.212 1290 E C 2.151 178.515 176.600 -0.393 0.000 1.044 1290 E CA 1.819 58.057 56.400 -0.270 0.000 0.857 1290 E CB -0.788 28.851 29.700 -0.102 0.000 0.764 1290 E HN 0.102 nan 8.360 nan 0.000 0.462 1291 R N 0.506 120.821 120.500 -0.308 0.000 2.070 1291 R HA -0.100 4.240 4.340 -0.000 0.000 0.232 1291 R C 2.247 178.328 176.300 -0.366 0.000 1.138 1291 R CA 1.633 57.527 56.100 -0.344 0.000 0.936 1291 R CB -0.434 29.665 30.300 -0.334 0.000 0.839 1291 R HN 0.189 nan 8.270 nan 0.000 0.429 1292 N N 0.175 118.675 118.700 -0.333 0.000 2.069 1292 N HA -0.277 4.463 4.740 -0.000 0.000 0.196 1292 N C 1.681 176.995 175.510 -0.326 0.000 1.024 1292 N CA 2.107 54.977 53.050 -0.300 0.000 0.869 1292 N CB -0.115 38.228 38.487 -0.240 0.000 1.035 1292 N HN 0.257 nan 8.380 nan 0.000 0.434 1293 Q N 0.341 119.880 119.800 -0.435 0.000 2.079 1293 Q HA -0.035 4.305 4.340 -0.000 0.000 0.200 1293 Q C 2.076 177.751 176.000 -0.542 0.000 0.974 1293 Q CA 1.014 56.484 55.803 -0.555 0.000 0.840 1293 Q CB -0.481 27.674 28.738 -0.972 0.000 0.898 1293 Q HN 0.411 nan 8.270 nan 0.000 0.430 1294 L N -0.115 120.770 121.223 -0.562 0.000 2.093 1294 L HA -0.018 4.322 4.340 -0.000 0.000 0.208 1294 L C 1.701 178.380 176.870 -0.318 0.000 1.085 1294 L CA 1.529 56.143 54.840 -0.376 0.000 0.755 1294 L CB -0.399 41.480 42.059 -0.300 0.000 0.904 1294 L HN 0.335 nan 8.230 nan 0.000 0.435 1295 I N 0.296 120.684 120.570 -0.303 0.000 2.953 1295 I HA -0.244 3.926 4.170 -0.000 0.000 0.271 1295 I C 1.344 177.332 176.117 -0.216 0.000 1.286 1295 I CA 1.018 62.172 61.300 -0.244 0.000 1.449 1295 I CB -0.553 37.318 38.000 -0.216 0.000 1.086 1295 I HN 0.586 nan 8.210 nan 0.000 0.483 1296 Q N 1.037 120.699 119.800 -0.229 0.000 2.165 1296 Q HA 0.253 4.592 4.340 -0.000 0.000 0.245 1296 Q C 0.675 176.549 176.000 -0.210 0.000 0.841 1296 Q CA -0.292 55.394 55.803 -0.195 0.000 1.078 1296 Q CB 0.460 29.100 28.738 -0.163 0.000 1.169 1296 Q HN 0.473 nan 8.270 nan 0.000 0.475 1297 R N 0.454 120.792 120.500 -0.270 0.000 2.538 1297 R HA 0.333 4.673 4.340 -0.000 0.000 0.372 1297 R C -0.320 175.694 176.300 -0.478 0.000 0.950 1297 R CA -0.179 55.737 56.100 -0.306 0.000 1.168 1297 R CB 0.846 31.005 30.300 -0.236 0.000 1.542 1297 R HN 0.150 nan 8.270 nan 0.000 0.536 1298 L N 3.046 123.977 121.223 -0.486 0.000 2.506 1298 L HA 0.429 4.769 4.340 -0.000 0.000 0.247 1298 L C -2.548 174.026 176.870 -0.492 0.000 1.141 1298 L CA -1.884 52.590 54.840 -0.610 0.000 0.973 1298 L CB 1.153 42.874 42.059 -0.564 0.000 1.319 1298 L HN -0.309 nan 8.230 nan 0.000 0.455 1299 P HA 0.123 nan 4.420 nan 0.000 0.272 1299 P C -0.351 176.736 177.300 -0.356 0.000 1.223 1299 P CA -0.145 62.659 63.100 -0.493 0.000 0.784 1299 P CB 0.601 31.924 31.700 -0.629 0.000 0.923 1300 M N 1.766 121.292 119.600 -0.122 0.000 2.188 1300 M HA 0.307 4.787 4.480 -0.000 0.000 0.357 1300 M C 1.082 177.438 176.300 0.092 0.000 1.204 1300 M CA -0.304 54.998 55.300 0.003 0.000 1.095 1300 M CB 0.712 33.326 32.600 0.024 0.000 1.604 1300 M HN 0.417 nan 8.290 nan 0.000 0.464 1301 G N 2.175 111.062 108.800 0.145 0.000 2.750 1301 G HA2 0.440 4.399 3.960 -0.000 0.000 0.250 1301 G HA3 0.440 4.399 3.960 -0.000 0.000 0.250 1301 G C -0.711 174.192 174.900 0.005 0.000 1.230 1301 G CA -0.413 44.745 45.100 0.097 0.000 0.883 1301 G HN 0.865 nan 8.290 nan 0.000 0.573 1302 A N -0.929 121.861 122.820 -0.049 0.000 2.318 1302 A HA 0.711 5.031 4.320 -0.000 0.000 0.317 1302 A C -0.682 176.845 177.584 -0.096 0.000 1.159 1302 A CA -0.555 51.461 52.037 -0.034 0.000 0.799 1302 A CB 1.814 20.811 19.000 -0.005 0.000 1.194 1302 A HN 1.844 nan 8.150 nan 0.000 0.479 1303 V N 3.366 123.259 119.914 -0.036 0.000 3.147 1303 V HA 0.658 4.778 4.120 -0.000 0.000 0.299 1303 V C -1.902 174.297 176.094 0.175 0.000 1.302 1303 V CA -0.647 61.632 62.300 -0.035 0.000 1.015 1303 V CB 2.073 33.707 31.823 -0.316 0.000 1.086 1303 V HN 0.782 nan 8.190 nan 0.000 0.437 1304 I N 4.608 125.313 120.570 0.225 0.000 2.468 1304 I HA 0.482 4.652 4.170 -0.000 0.000 0.284 1304 I C -0.352 176.004 176.117 0.398 0.000 1.038 1304 I CA -0.602 60.871 61.300 0.289 0.000 1.083 1304 I CB 1.757 39.872 38.000 0.192 0.000 1.223 1304 I HN 0.557 nan 8.210 nan 0.000 0.443 1305 K N 5.530 126.224 120.400 0.490 0.000 2.297 1305 K HA 0.550 4.870 4.320 -0.000 0.000 0.286 1305 K C -1.296 175.433 176.600 0.215 0.000 1.053 1305 K CA -0.214 56.367 56.287 0.491 0.000 0.940 1305 K CB 0.848 33.713 32.500 0.608 0.000 1.019 1305 K HN 0.675 nan 8.250 nan 0.000 0.475 1306 C N 5.277 124.641 119.300 0.107 0.000 2.397 1306 C HA 0.483 4.943 4.460 -0.000 0.000 0.325 1306 C C -0.953 174.044 174.990 0.013 0.000 1.201 1306 C CA -1.094 57.961 59.018 0.063 0.000 1.377 1306 C CB 0.665 28.542 27.740 0.228 0.000 2.038 1306 C HN 0.780 nan 8.230 nan 0.000 0.457 1307 M N 3.272 122.824 119.600 -0.080 0.000 2.227 1307 M HA 0.572 5.052 4.480 -0.000 0.000 0.335 1307 M C -0.440 175.817 176.300 -0.072 0.000 1.053 1307 M CA -0.240 54.967 55.300 -0.156 0.000 0.973 1307 M CB 1.486 33.953 32.600 -0.222 0.000 1.623 1307 M HN 0.400 nan 8.290 nan 0.000 0.434 1308 V N 4.320 124.186 119.914 -0.081 0.000 2.448 1308 V HA 0.468 4.588 4.120 -0.000 0.000 0.295 1308 V C -1.147 174.806 176.094 -0.234 0.000 1.025 1308 V CA -0.816 61.512 62.300 0.047 0.000 0.859 1308 V CB 1.034 32.983 31.823 0.209 0.000 0.988 1308 V HN 0.629 nan 8.190 nan 0.000 0.431 1309 Y N 4.114 124.364 120.300 -0.083 0.000 2.342 1309 Y HA 0.682 5.232 4.550 -0.000 0.000 0.334 1309 Y C -0.261 175.539 175.900 -0.168 0.000 1.067 1309 Y CA -0.571 57.524 58.100 -0.009 0.000 1.128 1309 Y CB 1.224 39.730 38.460 0.076 0.000 1.200 1309 Y HN 0.531 nan 8.280 nan 0.000 0.464 1310 Y N 0.314 120.828 120.300 0.357 0.000 2.630 1310 Y HA 0.284 4.834 4.550 -0.000 0.000 0.337 1310 Y C 1.058 177.106 175.900 0.246 0.000 1.051 1310 Y CA -1.496 56.809 58.100 0.342 0.000 1.121 1310 Y CB 1.687 40.420 38.460 0.456 0.000 1.299 1310 Y HN 0.540 nan 8.280 nan 0.000 0.498 1311 K N -0.056 120.562 120.400 0.363 0.000 2.365 1311 K HA 0.096 4.416 4.320 -0.000 0.000 0.197 1311 K C -0.147 176.535 176.600 0.136 0.000 1.042 1311 K CA 0.989 57.402 56.287 0.210 0.000 0.987 1311 K CB 0.613 33.210 32.500 0.162 0.000 0.779 1311 K HN 0.647 nan 8.250 nan 0.000 0.484 1312 E N -0.054 120.229 120.200 0.139 0.000 2.335 1312 E HA 0.351 4.701 4.350 -0.000 0.000 0.280 1312 E C -1.521 174.873 176.600 -0.342 0.000 0.918 1312 E CA -0.692 55.679 56.400 -0.048 0.000 0.765 1312 E CB 1.852 31.546 29.700 -0.010 0.000 1.218 1312 E HN 0.208 nan 8.360 nan 0.000 0.425 1313 A N 4.721 127.121 122.820 -0.700 0.000 3.046 1313 A HA 0.092 4.412 4.320 -0.000 0.000 0.259 1313 A C 0.803 177.413 177.584 -1.624 0.000 1.843 1313 A CA -0.075 50.881 52.037 -1.803 0.000 1.451 1313 A CB -1.373 16.843 19.000 -1.306 0.000 1.025 1313 A HN 0.617 nan 8.150 nan 0.000 0.625 1314 F N -1.185 118.252 119.950 -0.856 0.000 2.271 1314 F HA -0.228 4.299 4.527 -0.000 0.000 0.302 1314 F C 1.448 177.095 175.800 -0.254 0.000 1.063 1314 F CA 0.820 58.582 58.000 -0.396 0.000 1.362 1314 F CB -1.292 37.601 39.000 -0.178 0.000 1.060 1314 F HN 0.670 nan 8.300 nan 0.000 0.521 1315 W N 1.102 122.246 121.300 -0.260 0.000 2.519 1315 W HA 0.156 4.816 4.660 -0.000 0.000 0.266 1315 W C 1.789 178.293 176.519 -0.025 0.000 1.253 1315 W CA 0.596 57.925 57.345 -0.027 0.000 1.274 1315 W CB -0.908 28.464 29.460 -0.145 0.000 1.114 1315 W HN -0.107 nan 8.180 nan 0.000 0.596 1316 K N 1.171 121.340 120.400 -0.385 0.000 2.288 1316 K HA -0.049 4.271 4.320 -0.000 0.000 0.201 1316 K C 1.709 178.227 176.600 -0.137 0.000 1.048 1316 K CA 1.125 57.294 56.287 -0.197 0.000 0.956 1316 K CB -0.199 32.118 32.500 -0.306 0.000 0.746 1316 K HN 0.180 nan 8.250 nan 0.000 0.461 1317 K N 0.680 120.992 120.400 -0.147 0.000 2.504 1317 K HA -0.060 4.260 4.320 -0.000 0.000 0.195 1317 K C 0.843 177.371 176.600 -0.120 0.000 1.036 1317 K CA 0.800 57.023 56.287 -0.106 0.000 0.984 1317 K CB 0.194 32.650 32.500 -0.074 0.000 0.788 1317 K HN 0.042 nan 8.250 nan 0.000 0.488 1318 K N 0.676 120.971 120.400 -0.175 0.000 2.564 1318 K HA 0.011 4.331 4.320 -0.000 0.000 0.205 1318 K C -0.815 175.530 176.600 -0.425 0.000 1.053 1318 K CA -0.059 56.005 56.287 -0.373 0.000 1.072 1318 K CB 0.656 32.769 32.500 -0.645 0.000 0.822 1318 K HN -0.042 nan 8.250 nan 0.000 0.497 1319 D N 1.125 121.432 120.400 -0.155 0.000 2.699 1319 D HA -0.239 4.401 4.640 -0.000 0.000 0.239 1319 D C -1.427 174.969 176.300 0.159 0.000 1.136 1319 D CA 1.073 55.062 54.000 -0.019 0.000 0.668 1319 D CB -1.232 39.557 40.800 -0.018 0.000 1.060 1319 D HN 0.393 nan 8.370 nan 0.000 0.429 1320 Y N -0.287 120.063 120.300 0.083 0.000 2.361 1320 Y HA 0.427 4.977 4.550 -0.000 0.000 0.337 1320 Y C 1.052 177.064 175.900 0.186 0.000 0.965 1320 Y CA -1.486 56.676 58.100 0.104 0.000 1.091 1320 Y CB 1.206 39.756 38.460 0.150 0.000 1.182 1320 Y HN 0.296 nan 8.280 nan 0.000 0.450 1321 C N -0.310 119.130 119.300 0.233 0.000 2.351 1321 C HA 0.599 5.059 4.460 -0.000 0.000 0.359 1321 C C 1.840 176.807 174.990 -0.039 0.000 1.193 1321 C CA 0.008 59.143 59.018 0.195 0.000 2.270 1321 C CB 0.635 28.413 27.740 0.062 0.000 2.369 1321 C HN 1.108 nan 8.230 nan 0.000 0.553 1322 G N -0.120 108.527 108.800 -0.255 0.000 2.562 1322 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.223 1322 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.223 1322 G C 0.804 175.432 174.900 -0.455 0.000 1.102 1322 G CA 1.212 45.886 45.100 -0.709 0.000 0.742 1322 G HN 1.163 nan 8.290 nan 0.000 0.587 1323 C N 1.247 120.391 119.300 -0.260 0.000 2.633 1323 C HA 0.585 5.045 4.460 -0.000 0.000 0.415 1323 C C 0.305 175.206 174.990 -0.148 0.000 1.393 1323 C CA -0.326 58.577 59.018 -0.192 0.000 1.700 1323 C CB -1.397 26.255 27.740 -0.146 0.000 2.541 1323 C HN 0.395 nan 8.230 nan 0.000 0.603 1324 M N 6.782 126.334 119.600 -0.081 0.000 2.433 1324 M HA 0.488 4.968 4.480 -0.000 0.000 0.290 1324 M C -0.877 175.493 176.300 0.117 0.000 1.173 1324 M CA -0.258 55.053 55.300 0.018 0.000 0.905 1324 M CB 1.926 34.519 32.600 -0.012 0.000 1.692 1324 M HN 0.397 nan 8.290 nan 0.000 0.462 1325 I N 4.227 124.926 120.570 0.214 0.000 2.460 1325 I HA 0.389 4.559 4.170 -0.000 0.000 0.277 1325 I C -0.742 175.495 176.117 0.200 0.000 1.057 1325 I CA -0.374 61.066 61.300 0.233 0.000 1.179 1325 I CB 0.592 38.789 38.000 0.329 0.000 1.329 1325 I HN 0.604 nan 8.210 nan 0.000 0.478 1326 I N 5.233 125.909 120.570 0.176 0.000 2.337 1326 I HA 0.148 4.318 4.170 -0.000 0.000 0.291 1326 I C 0.554 176.757 176.117 0.142 0.000 1.046 1326 I CA 0.021 61.441 61.300 0.200 0.000 1.324 1326 I CB 0.701 38.785 38.000 0.140 0.000 1.409 1326 I HN 0.607 nan 8.210 nan 0.000 0.494 1327 E N 6.438 126.718 120.200 0.133 0.000 2.267 1327 E HA 0.284 4.634 4.350 -0.000 0.000 0.241 1327 E C -1.390 175.267 176.600 0.094 0.000 0.950 1327 E CA -0.391 56.028 56.400 0.033 0.000 0.776 1327 E CB 0.632 30.259 29.700 -0.122 0.000 1.207 1327 E HN 0.623 nan 8.360 nan 0.000 0.436 1328 D N 3.010 123.486 120.400 0.127 0.000 2.300 1328 D HA 0.020 4.660 4.640 -0.000 0.000 0.218 1328 D C 0.626 176.988 176.300 0.104 0.000 1.326 1328 D CA -0.332 53.751 54.000 0.138 0.000 0.942 1328 D CB 0.944 41.906 40.800 0.270 0.000 1.495 1328 D HN 0.328 nan 8.370 nan 0.000 0.545 1329 E N 2.115 122.362 120.200 0.078 0.000 2.340 1329 E HA -0.368 3.982 4.350 -0.000 0.000 0.246 1329 E C 1.264 177.897 176.600 0.054 0.000 1.077 1329 E CA 2.358 58.795 56.400 0.062 0.000 1.060 1329 E CB 0.149 29.881 29.700 0.053 0.000 0.935 1329 E HN 0.597 nan 8.360 nan 0.000 0.495 1330 E N 0.367 120.600 120.200 0.054 0.000 2.049 1330 E HA -0.143 4.207 4.350 -0.000 0.000 0.198 1330 E C 0.765 177.378 176.600 0.022 0.000 1.007 1330 E CA 1.056 57.478 56.400 0.037 0.000 0.809 1330 E CB -0.920 28.804 29.700 0.041 0.000 0.749 1330 E HN 0.417 nan 8.360 nan 0.000 0.450 1331 A N 2.745 125.582 122.820 0.028 0.000 2.580 1331 A HA 0.033 4.353 4.320 -0.000 0.000 0.244 1331 A C -1.462 176.116 177.584 -0.011 0.000 1.045 1331 A CA -0.637 51.392 52.037 -0.013 0.000 0.761 1331 A CB -0.032 18.963 19.000 -0.010 0.000 0.962 1331 A HN -0.050 nan 8.150 nan 0.000 0.512 1332 P HA -0.067 nan 4.420 nan 0.000 0.214 1332 P C 0.102 177.404 177.300 0.003 0.000 1.162 1332 P CA 0.786 63.869 63.100 -0.028 0.000 0.879 1332 P CB 0.044 31.700 31.700 -0.072 0.000 0.786 1333 I N -1.158 119.398 120.570 -0.022 0.000 2.440 1333 I HA 0.205 4.375 4.170 -0.000 0.000 0.294 1333 I C 1.290 177.458 176.117 0.085 0.000 0.995 1333 I CA -0.339 60.990 61.300 0.050 0.000 1.306 1333 I CB 0.816 38.846 38.000 0.050 0.000 1.407 1333 I HN -0.117 nan 8.210 nan 0.000 0.501 1334 A N 6.027 128.928 122.820 0.135 0.000 1.881 1334 A HA 0.348 4.668 4.320 -0.000 0.000 0.210 1334 A C 0.496 178.175 177.584 0.158 0.000 1.239 1334 A CA 1.088 53.211 52.037 0.142 0.000 0.629 1334 A CB -0.219 18.877 19.000 0.159 0.000 0.906 1334 A HN 0.601 nan 8.150 nan 0.000 0.460 1335 I N -2.638 118.040 120.570 0.180 0.000 2.934 1335 I HA 0.712 4.881 4.170 -0.000 0.000 0.306 1335 I C -0.283 175.871 176.117 0.062 0.000 1.110 1335 I CA -0.771 60.610 61.300 0.135 0.000 1.019 1335 I CB 1.666 39.749 38.000 0.138 0.000 1.227 1335 I HN 0.200 nan 8.210 nan 0.000 0.434 1336 T N 1.077 115.614 114.554 -0.027 0.000 2.841 1336 T HA 0.900 5.250 4.350 -0.000 0.000 0.296 1336 T C -0.927 173.645 174.700 -0.214 0.000 1.166 1336 T CA -0.847 61.166 62.100 -0.145 0.000 1.007 1336 T CB 1.510 70.271 68.868 -0.178 0.000 1.253 1336 T HN 0.741 nan 8.240 nan 0.000 0.511 1337 L N 0.368 121.428 121.223 -0.271 0.000 2.540 1337 L HA 0.474 4.814 4.340 -0.000 0.000 0.256 1337 L C -1.168 175.542 176.870 -0.267 0.000 1.001 1337 L CA -1.156 53.543 54.840 -0.235 0.000 0.843 1337 L CB 2.438 44.399 42.059 -0.163 0.000 1.436 1337 L HN 0.815 nan 8.230 nan 0.000 0.410 1338 D N 1.071 121.351 120.400 -0.200 0.000 2.338 1338 D HA 0.003 4.643 4.640 -0.000 0.000 0.255 1338 D C -0.470 175.809 176.300 -0.036 0.000 1.237 1338 D CA 0.329 54.242 54.000 -0.144 0.000 0.883 1338 D CB 1.263 42.084 40.800 0.035 0.000 1.087 1338 D HN 0.514 nan 8.370 nan 0.000 0.485 1339 D N 2.594 122.944 120.400 -0.082 0.000 2.525 1339 D HA 0.080 4.720 4.640 -0.000 0.000 0.229 1339 D C -0.174 176.109 176.300 -0.029 0.000 1.202 1339 D CA -0.234 53.737 54.000 -0.048 0.000 0.828 1339 D CB 0.394 41.111 40.800 -0.139 0.000 1.008 1339 D HN 0.193 nan 8.370 nan 0.000 0.493 1340 T N 0.901 115.483 114.554 0.047 0.000 2.802 1340 T HA 0.089 4.439 4.350 -0.000 0.000 0.305 1340 T C 0.501 175.194 174.700 -0.011 0.000 1.053 1340 T CA -0.256 61.875 62.100 0.052 0.000 1.058 1340 T CB 0.796 69.729 68.868 0.108 0.000 0.988 1340 T HN -0.071 nan 8.240 nan 0.000 0.539 1341 K N 2.207 122.563 120.400 -0.074 0.000 2.126 1341 K HA 0.204 4.524 4.320 -0.000 0.000 0.257 1341 K C -1.648 174.848 176.600 -0.174 0.000 1.007 1341 K CA -2.335 53.843 56.287 -0.182 0.000 0.928 1341 K CB 0.053 32.457 32.500 -0.160 0.000 1.013 1341 K HN 0.213 nan 8.250 nan 0.000 0.473 1342 P HA -0.193 nan 4.420 nan 0.000 0.215 1342 P C 0.325 177.574 177.300 -0.085 0.000 1.157 1342 P CA 1.499 64.459 63.100 -0.234 0.000 0.874 1342 P CB 0.095 31.606 31.700 -0.315 0.000 0.790 1343 D N -1.356 119.005 120.400 -0.064 0.000 2.504 1343 D HA 0.038 4.678 4.640 -0.000 0.000 0.243 1343 D C 1.255 177.540 176.300 -0.025 0.000 1.203 1343 D CA 0.526 54.509 54.000 -0.029 0.000 0.847 1343 D CB -1.160 39.633 40.800 -0.012 0.000 0.973 1343 D HN 0.253 nan 8.370 nan 0.000 0.490 1344 G N 0.429 109.211 108.800 -0.030 0.000 2.205 1344 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.269 1344 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.269 1344 G C 0.440 175.329 174.900 -0.018 0.000 0.977 1344 G CA 0.699 45.783 45.100 -0.026 0.000 0.652 1344 G HN 0.679 nan 8.290 nan 0.000 0.539 1345 S N -0.186 115.504 115.700 -0.016 0.000 2.549 1345 S HA 0.470 4.940 4.470 -0.000 0.000 0.283 1345 S C 1.149 175.758 174.600 0.016 0.000 1.320 1345 S CA 0.334 58.533 58.200 -0.002 0.000 1.058 1345 S CB 0.031 63.228 63.200 -0.005 0.000 0.882 1345 S HN 1.329 nan 8.310 nan 0.000 0.498 1346 L N 3.436 124.691 121.223 0.053 0.000 3.721 1346 L HA -0.096 4.244 4.340 -0.000 0.000 0.625 1346 L C -2.094 174.887 176.870 0.185 0.000 1.186 1346 L CA -0.509 54.412 54.840 0.136 0.000 0.961 1346 L CB -1.493 40.640 42.059 0.124 0.000 1.418 1346 L HN 0.593 nan 8.230 nan 0.000 0.838 1347 P HA 0.387 nan 4.420 nan 0.000 0.268 1347 P C -0.183 177.289 177.300 0.288 0.000 1.205 1347 P CA 0.301 63.509 63.100 0.181 0.000 0.771 1347 P CB 1.745 33.468 31.700 0.039 0.000 0.858 1348 A N 3.242 126.199 122.820 0.229 0.000 2.601 1348 A HA 0.692 5.012 4.320 -0.000 0.000 0.291 1348 A C -1.428 176.033 177.584 -0.204 0.000 1.075 1348 A CA -0.657 51.347 52.037 -0.055 0.000 0.671 1348 A CB 0.990 19.524 19.000 -0.777 0.000 1.277 1348 A HN 0.421 nan 8.150 nan 0.000 0.417 1349 I N 1.891 122.244 120.570 -0.362 0.000 2.436 1349 I HA 0.369 4.539 4.170 -0.000 0.000 0.289 1349 I C -0.345 175.556 176.117 -0.360 0.000 1.010 1349 I CA -0.505 60.481 61.300 -0.523 0.000 1.098 1349 I CB 1.906 39.373 38.000 -0.890 0.000 1.266 1349 I HN 0.698 nan 8.210 nan 0.000 0.434 1350 M N 5.945 125.355 119.600 -0.316 0.000 2.157 1350 M HA 0.591 5.071 4.480 -0.000 0.000 0.354 1350 M C -0.433 175.698 176.300 -0.281 0.000 1.170 1350 M CA -0.147 54.997 55.300 -0.260 0.000 1.060 1350 M CB 0.846 33.310 32.600 -0.226 0.000 1.615 1350 M HN 0.696 nan 8.290 nan 0.000 0.460 1351 G N 4.407 113.085 108.800 -0.205 0.000 2.574 1351 G HA2 0.726 4.686 3.960 -0.000 0.000 0.299 1351 G HA3 0.726 4.686 3.960 -0.000 0.000 0.299 1351 G C -1.990 172.795 174.900 -0.192 0.000 1.298 1351 G CA -0.548 44.477 45.100 -0.126 0.000 0.952 1351 G HN 0.664 nan 8.290 nan 0.000 0.477 1352 F N -0.074 119.950 119.950 0.122 0.000 2.508 1352 F HA 0.561 5.088 4.527 -0.000 0.000 0.325 1352 F C 0.251 176.098 175.800 0.078 0.000 1.090 1352 F CA -0.854 57.212 58.000 0.109 0.000 0.945 1352 F CB 2.651 41.718 39.000 0.111 0.000 1.156 1352 F HN 0.030 nan 8.300 nan 0.000 0.463 1353 I N 5.107 125.861 120.570 0.306 0.000 2.354 1353 I HA 0.334 4.504 4.170 -0.000 0.000 0.286 1353 I C -0.745 175.432 176.117 0.100 0.000 1.007 1353 I CA -0.309 61.088 61.300 0.161 0.000 1.167 1353 I CB 0.939 39.018 38.000 0.132 0.000 1.320 1353 I HN 0.355 nan 8.210 nan 0.000 0.458 1354 L N 5.050 126.308 121.223 0.058 0.000 2.313 1354 L HA 0.763 5.103 4.340 -0.000 0.000 0.268 1354 L C 1.186 178.042 176.870 -0.024 0.000 1.010 1354 L CA -0.608 54.219 54.840 -0.022 0.000 0.814 1354 L CB 1.320 43.354 42.059 -0.041 0.000 1.304 1354 L HN 0.774 nan 8.230 nan 0.000 0.441 1355 A N 1.856 124.636 122.820 -0.066 0.000 5.389 1355 A HA -0.381 3.939 4.320 -0.000 0.000 0.356 1355 A C 1.815 179.384 177.584 -0.025 0.000 1.646 1355 A CA 2.720 54.720 52.037 -0.062 0.000 0.770 1355 A CB -1.319 17.634 19.000 -0.078 0.000 1.478 1355 A HN 1.031 nan 8.150 nan 0.000 0.424 1356 R N -0.338 120.153 120.500 -0.015 0.000 2.134 1356 R HA -0.224 4.116 4.340 -0.000 0.000 0.248 1356 R C 1.985 178.294 176.300 0.014 0.000 1.143 1356 R CA 2.161 58.265 56.100 0.007 0.000 0.957 1356 R CB -0.619 29.695 30.300 0.023 0.000 0.867 1356 R HN 0.713 nan 8.270 nan 0.000 0.441 1357 K N 0.719 121.131 120.400 0.020 0.000 2.103 1357 K HA -0.099 4.221 4.320 -0.000 0.000 0.207 1357 K C 2.415 179.032 176.600 0.029 0.000 1.048 1357 K CA 1.377 57.680 56.287 0.026 0.000 0.930 1357 K CB -0.313 32.208 32.500 0.035 0.000 0.716 1357 K HN 0.361 nan 8.250 nan 0.000 0.444 1358 A N 2.007 124.843 122.820 0.027 0.000 1.859 1358 A HA -0.327 3.993 4.320 -0.000 0.000 0.218 1358 A C 1.985 179.590 177.584 0.035 0.000 1.209 1358 A CA 2.418 54.477 52.037 0.036 0.000 0.639 1358 A CB -0.979 18.034 19.000 0.023 0.000 0.835 1358 A HN 0.466 nan 8.150 nan 0.000 0.450 1359 D N -1.476 118.939 120.400 0.025 0.000 2.144 1359 D HA -0.176 4.464 4.640 -0.000 0.000 0.199 1359 D C 2.117 178.431 176.300 0.022 0.000 0.984 1359 D CA 1.396 55.410 54.000 0.023 0.000 0.834 1359 D CB -0.138 40.672 40.800 0.017 0.000 0.955 1359 D HN 0.434 nan 8.370 nan 0.000 0.465 1360 R N -0.064 120.449 120.500 0.021 0.000 2.082 1360 R HA -0.125 4.215 4.340 -0.000 0.000 0.234 1360 R C 2.395 178.708 176.300 0.020 0.000 1.136 1360 R CA 1.442 57.553 56.100 0.018 0.000 0.935 1360 R CB -0.472 29.839 30.300 0.017 0.000 0.842 1360 R HN 0.293 nan 8.270 nan 0.000 0.430 1361 L N 0.312 121.550 121.223 0.025 0.000 2.191 1361 L HA -0.090 4.250 4.340 -0.000 0.000 0.212 1361 L C 2.590 179.481 176.870 0.036 0.000 1.103 1361 L CA 1.007 55.863 54.840 0.027 0.000 0.769 1361 L CB -0.450 41.628 42.059 0.031 0.000 0.908 1361 L HN 0.329 nan 8.230 nan 0.000 0.438 1362 A N 0.001 122.845 122.820 0.039 0.000 2.125 1362 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 1362 A C 2.176 179.777 177.584 0.029 0.000 1.156 1362 A CA 1.221 53.282 52.037 0.040 0.000 0.671 1362 A CB -0.315 18.706 19.000 0.036 0.000 0.794 1362 A HN 0.354 nan 8.150 nan 0.000 0.459 1363 K N -0.641 119.773 120.400 0.023 0.000 2.486 1363 K HA 0.190 4.510 4.320 -0.000 0.000 0.194 1363 K C 0.184 176.797 176.600 0.022 0.000 1.033 1363 K CA 0.058 56.354 56.287 0.016 0.000 1.004 1363 K CB -0.121 32.387 32.500 0.013 0.000 0.798 1363 K HN 0.450 nan 8.250 nan 0.000 0.495 1364 L N 0.100 121.344 121.223 0.035 0.000 2.472 1364 L HA 0.198 4.538 4.340 -0.000 0.000 0.256 1364 L C 0.607 177.535 176.870 0.097 0.000 1.111 1364 L CA -1.000 53.873 54.840 0.055 0.000 0.800 1364 L CB 0.242 42.326 42.059 0.042 0.000 1.286 1364 L HN 0.127 nan 8.230 nan 0.000 0.479 1365 H N 0.682 119.750 119.070 -0.004 0.000 2.525 1365 H HA 0.094 4.650 4.556 -0.000 0.000 0.339 1365 H C 0.511 175.840 175.328 0.003 0.000 1.109 1365 H CA -0.088 55.961 56.048 0.001 0.000 1.352 1365 H CB 1.314 31.073 29.762 -0.006 0.000 1.461 1365 H HN 0.473 nan 8.280 nan 0.000 0.533 1366 K N 2.617 123.356 120.400 0.564 0.000 2.052 1366 K HA -0.248 4.072 4.320 -0.000 0.000 0.215 1366 K C 0.922 177.540 176.600 0.030 0.000 1.053 1366 K CA 2.351 58.794 56.287 0.260 0.000 0.934 1366 K CB 0.105 32.775 32.500 0.283 0.000 0.717 1366 K HN 0.646 nan 8.250 nan 0.000 0.450 1367 D N 0.653 120.942 120.400 -0.186 0.000 2.092 1367 D HA -0.192 4.448 4.640 -0.000 0.000 0.193 1367 D C 2.038 178.207 176.300 -0.218 0.000 0.994 1367 D CA 1.174 55.011 54.000 -0.273 0.000 0.828 1367 D CB -0.305 40.243 40.800 -0.420 0.000 0.963 1367 D HN 0.211 nan 8.370 nan 0.000 0.450 1368 I N 1.100 121.569 120.570 -0.169 0.000 2.118 1368 I HA -0.263 3.907 4.170 -0.000 0.000 0.241 1368 I C 2.573 178.622 176.117 -0.112 0.000 1.070 1368 I CA 1.047 62.282 61.300 -0.107 0.000 1.327 1368 I CB -1.099 36.881 38.000 -0.034 0.000 1.034 1368 I HN 0.078 nan 8.210 nan 0.000 0.405 1369 R N 1.360 121.815 120.500 -0.075 0.000 2.115 1369 R HA -0.277 4.063 4.340 -0.000 0.000 0.239 1369 R C 2.398 178.576 176.300 -0.203 0.000 1.133 1369 R CA 2.530 58.581 56.100 -0.082 0.000 0.935 1369 R CB -0.361 29.940 30.300 0.001 0.000 0.853 1369 R HN 0.281 nan 8.270 nan 0.000 0.433 1370 K N 0.299 120.490 120.400 -0.348 0.000 2.034 1370 K HA -0.278 4.042 4.320 -0.000 0.000 0.214 1370 K C 2.359 178.723 176.600 -0.393 0.000 1.051 1370 K CA 2.185 58.080 56.287 -0.653 0.000 0.931 1370 K CB -0.289 31.733 32.500 -0.796 0.000 0.715 1370 K HN 0.191 nan 8.250 nan 0.000 0.446 1371 R N 0.597 120.931 120.500 -0.277 0.000 2.103 1371 R HA -0.183 4.157 4.340 -0.000 0.000 0.234 1371 R C 2.166 178.357 176.300 -0.181 0.000 1.132 1371 R CA 2.053 58.032 56.100 -0.203 0.000 0.925 1371 R CB -0.164 30.039 30.300 -0.162 0.000 0.842 1371 R HN 0.099 nan 8.270 nan 0.000 0.430 1372 K N 0.547 120.849 120.400 -0.162 0.000 2.097 1372 K HA -0.226 4.094 4.320 -0.000 0.000 0.214 1372 K C 2.138 178.615 176.600 -0.205 0.000 1.052 1372 K CA 2.051 58.249 56.287 -0.147 0.000 0.932 1372 K CB -0.621 31.809 32.500 -0.116 0.000 0.716 1372 K HN 0.401 nan 8.250 nan 0.000 0.455 1373 I N 0.608 121.020 120.570 -0.265 0.000 2.127 1373 I HA -0.364 3.806 4.170 -0.000 0.000 0.241 1373 I C 2.661 178.486 176.117 -0.487 0.000 1.075 1373 I CA 1.230 62.271 61.300 -0.433 0.000 1.334 1373 I CB -0.594 37.173 38.000 -0.388 0.000 1.040 1373 I HN 0.133 nan 8.210 nan 0.000 0.405 1374 C N 1.007 120.173 119.300 -0.224 0.000 2.413 1374 C HA -0.161 4.299 4.460 -0.000 0.000 0.278 1374 C C 2.665 177.646 174.990 -0.015 0.000 1.224 1374 C CA 0.898 59.918 59.018 0.004 0.000 1.732 1374 C CB -1.232 26.520 27.740 0.020 0.000 2.050 1374 C HN 0.512 nan 8.230 nan 0.000 0.463 1375 E N 0.525 120.676 120.200 -0.081 0.000 2.147 1375 E HA -0.284 4.066 4.350 -0.000 0.000 0.199 1375 E C 1.906 178.460 176.600 -0.077 0.000 1.005 1375 E CA 1.366 57.726 56.400 -0.066 0.000 0.810 1375 E CB -0.361 29.291 29.700 -0.080 0.000 0.736 1375 E HN 0.573 nan 8.360 nan 0.000 0.460 1376 L N 0.258 121.386 121.223 -0.157 0.000 1.973 1376 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 1376 L C 2.090 178.909 176.870 -0.085 0.000 1.073 1376 L CA 1.735 56.455 54.840 -0.200 0.000 0.746 1376 L CB -0.879 40.988 42.059 -0.319 0.000 0.891 1376 L HN 0.020 nan 8.230 nan 0.000 0.433 1377 Y N 0.572 120.845 120.300 -0.044 0.000 2.219 1377 Y HA -0.291 4.259 4.550 -0.000 0.000 0.283 1377 Y C 2.539 178.460 175.900 0.036 0.000 1.191 1377 Y CA 0.894 58.995 58.100 0.001 0.000 1.199 1377 Y CB -1.798 36.712 38.460 0.084 0.000 0.972 1377 Y HN 0.390 nan 8.280 nan 0.000 0.527 1378 A N 0.468 123.394 122.820 0.176 0.000 1.829 1378 A HA -0.255 4.065 4.320 -0.000 0.000 0.216 1378 A C 2.300 179.933 177.584 0.082 0.000 1.207 1378 A CA 2.136 54.233 52.037 0.101 0.000 0.622 1378 A CB -0.785 18.248 19.000 0.055 0.000 0.846 1378 A HN 0.422 nan 8.150 nan 0.000 0.447 1379 K N -0.460 119.961 120.400 0.035 0.000 2.077 1379 K HA -0.175 4.145 4.320 -0.000 0.000 0.213 1379 K C 1.846 178.487 176.600 0.067 0.000 1.051 1379 K CA 1.757 58.069 56.287 0.041 0.000 0.929 1379 K CB -0.703 31.792 32.500 -0.008 0.000 0.715 1379 K HN 0.310 nan 8.250 nan 0.000 0.451 1380 V N 1.702 121.589 119.914 -0.044 0.000 2.255 1380 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 1380 V C 2.266 178.444 176.094 0.140 0.000 1.051 1380 V CA 1.761 64.069 62.300 0.013 0.000 1.018 1380 V CB -0.499 31.288 31.823 -0.060 0.000 0.641 1380 V HN 0.239 nan 8.190 nan 0.000 0.445 1381 L N -1.097 120.230 121.223 0.173 0.000 2.004 1381 L HA 0.285 4.625 4.340 -0.000 0.000 0.205 1381 L C 1.922 179.006 176.870 0.356 0.000 1.089 1381 L CA 1.750 56.778 54.840 0.312 0.000 0.756 1381 L CB -0.639 41.661 42.059 0.401 0.000 0.900 1381 L HN 0.539 nan 8.230 nan 0.000 0.440 1382 G N -1.617 107.320 108.800 0.229 0.000 4.142 1382 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.131 1382 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.131 1382 G C -0.005 174.931 174.900 0.061 0.000 2.153 1382 G CA 0.047 45.239 45.100 0.153 0.000 0.993 1382 G HN 0.364 nan 8.290 nan 0.000 0.294 1383 S N 1.289 116.997 115.700 0.013 0.000 2.552 1383 S HA 0.257 4.727 4.470 -0.000 0.000 0.289 1383 S C 0.863 175.357 174.600 -0.176 0.000 1.304 1383 S CA 0.778 58.914 58.200 -0.107 0.000 1.063 1383 S CB 1.347 64.433 63.200 -0.191 0.000 0.848 1383 S HN 0.547 nan 8.310 nan 0.000 0.499 1384 Q N 1.318 121.060 119.800 -0.096 0.000 2.515 1384 Q HA -0.053 4.287 4.340 -0.000 0.000 0.212 1384 Q C 1.323 177.322 176.000 -0.002 0.000 0.970 1384 Q CA 0.564 56.363 55.803 -0.006 0.000 0.941 1384 Q CB -0.188 28.606 28.738 0.093 0.000 0.998 1384 Q HN 0.834 nan 8.270 nan 0.000 0.518 1385 E N 0.628 120.651 120.200 -0.295 0.000 2.331 1385 E HA -0.182 4.168 4.350 -0.000 0.000 0.199 1385 E C 1.680 178.083 176.600 -0.330 0.000 1.008 1385 E CA 0.744 56.921 56.400 -0.373 0.000 0.843 1385 E CB -0.016 29.247 29.700 -0.730 0.000 0.761 1385 E HN 0.360 nan 8.360 nan 0.000 0.507 1386 A N 0.620 123.177 122.820 -0.438 0.000 2.119 1386 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 1386 A C 1.935 179.788 177.584 0.448 0.000 1.153 1386 A CA 0.557 52.620 52.037 0.043 0.000 0.692 1386 A CB -0.187 18.882 19.000 0.114 0.000 0.799 1386 A HN 0.160 nan 8.150 nan 0.000 0.458 1387 L N -1.822 119.554 121.223 0.256 0.000 2.558 1387 L HA 0.049 4.389 4.340 -0.000 0.000 0.225 1387 L C -0.122 176.602 176.870 -0.244 0.000 1.128 1387 L CA 0.261 55.087 54.840 -0.024 0.000 0.868 1387 L CB -0.210 41.707 42.059 -0.238 0.000 1.006 1387 L HN 0.418 nan 8.230 nan 0.000 0.454 1388 Y N 0.157 120.588 120.300 0.218 0.000 2.836 1388 Y HA 0.397 4.947 4.550 -0.000 0.000 0.359 1388 Y C -2.283 173.726 175.900 0.181 0.000 1.060 1388 Y CA -3.314 54.884 58.100 0.162 0.000 1.161 1388 Y CB -0.277 38.261 38.460 0.130 0.000 1.225 1388 Y HN -0.045 nan 8.280 nan 0.000 0.621 1389 P HA 0.187 nan 4.420 nan 0.000 0.276 1389 P C 0.676 177.984 177.300 0.014 0.000 1.244 1389 P CA -0.273 62.712 63.100 -0.192 0.000 0.801 1389 P CB 2.013 33.526 31.700 -0.311 0.000 1.006 1390 V N -0.431 119.517 119.914 0.056 0.000 2.436 1390 V HA 0.024 4.144 4.120 -0.000 0.000 0.240 1390 V C 1.003 177.184 176.094 0.144 0.000 1.040 1390 V CA 1.223 63.600 62.300 0.128 0.000 1.052 1390 V CB -0.747 31.178 31.823 0.170 0.000 0.707 1390 V HN 0.618 nan 8.190 nan 0.000 0.469 1391 H N -1.667 117.429 119.070 0.042 0.000 2.865 1391 H HA 0.469 5.024 4.556 -0.000 0.000 0.372 1391 H C -2.084 173.375 175.328 0.218 0.000 1.173 1391 H CA -0.707 55.334 56.048 -0.012 0.000 1.147 1391 H CB 2.529 32.159 29.762 -0.220 0.000 1.805 1391 H HN 0.165 nan 8.280 nan 0.000 0.553 1392 Y N 2.457 122.351 120.300 -0.677 0.000 2.361 1392 Y HA 0.270 4.819 4.550 -0.000 0.000 0.328 1392 Y C -1.563 174.018 175.900 -0.531 0.000 1.044 1392 Y CA -0.651 57.217 58.100 -0.386 0.000 1.085 1392 Y CB 1.350 39.696 38.460 -0.191 0.000 1.194 1392 Y HN 0.550 nan 8.280 nan 0.000 0.438 1393 E N 5.161 124.911 120.200 -0.750 0.000 2.199 1393 E HA 0.342 4.692 4.350 -0.000 0.000 0.269 1393 E C -1.212 174.985 176.600 -0.671 0.000 0.899 1393 E CA -0.553 55.505 56.400 -0.568 0.000 0.772 1393 E CB 2.190 31.794 29.700 -0.161 0.000 1.155 1393 E HN 0.864 nan 8.360 nan 0.000 0.408 1394 E N 0.948 120.857 120.200 -0.486 0.000 2.429 1394 E HA 0.699 5.049 4.350 -0.000 0.000 0.276 1394 E C -1.140 175.400 176.600 -0.099 0.000 0.953 1394 E CA -1.057 55.172 56.400 -0.285 0.000 0.787 1394 E CB 2.143 31.681 29.700 -0.270 0.000 1.307 1394 E HN 0.030 nan 8.360 nan 0.000 0.458 1395 K N 1.274 121.669 120.400 -0.008 0.000 2.588 1395 K HA 0.304 4.624 4.320 -0.000 0.000 0.250 1395 K C -1.936 174.638 176.600 -0.043 0.000 0.972 1395 K CA -0.548 55.689 56.287 -0.083 0.000 0.821 1395 K CB 1.521 33.947 32.500 -0.122 0.000 1.249 1395 K HN 0.549 nan 8.250 nan 0.000 0.442 1396 N N 4.210 122.848 118.700 -0.103 0.000 2.485 1396 N HA 0.147 4.887 4.740 -0.000 0.000 0.243 1396 N C -0.305 175.166 175.510 -0.065 0.000 0.987 1396 N CA -0.350 52.703 53.050 0.005 0.000 0.940 1396 N CB 0.328 38.826 38.487 0.018 0.000 1.122 1396 N HN 0.660 nan 8.380 nan 0.000 0.509 1397 W N 2.207 123.544 121.300 0.062 0.000 3.077 1397 W HA 0.095 4.755 4.660 -0.000 0.000 0.245 1397 W C 1.832 178.368 176.519 0.030 0.000 1.316 1397 W CA -0.195 57.182 57.345 0.054 0.000 1.537 1397 W CB -0.165 29.333 29.460 0.063 0.000 1.131 1397 W HN 0.582 nan 8.180 nan 0.000 0.695 1398 C N -0.315 119.090 119.300 0.176 0.000 2.446 1398 C HA -0.104 4.356 4.460 -0.000 0.000 0.279 1398 C C 2.249 177.273 174.990 0.058 0.000 1.366 1398 C CA 0.780 59.861 59.018 0.105 0.000 1.763 1398 C CB -0.970 26.811 27.740 0.069 0.000 1.929 1398 C HN 0.393 nan 8.230 nan 0.000 0.509 1399 E N 0.903 121.119 120.200 0.027 0.000 2.072 1399 E HA -0.096 4.254 4.350 -0.000 0.000 0.191 1399 E C 0.426 177.019 176.600 -0.011 0.000 0.985 1399 E CA 0.441 56.836 56.400 -0.010 0.000 0.801 1399 E CB -0.216 29.458 29.700 -0.043 0.000 0.750 1399 E HN 0.573 nan 8.360 nan 0.000 0.452 1400 E N 1.833 122.034 120.200 0.002 0.000 2.606 1400 E HA -0.143 4.207 4.350 -0.000 0.000 0.248 1400 E C 0.656 177.274 176.600 0.029 0.000 1.005 1400 E CA 0.489 56.907 56.400 0.030 0.000 0.946 1400 E CB 0.756 30.526 29.700 0.116 0.000 0.928 1400 E HN 0.320 nan 8.360 nan 0.000 0.494 1401 Q N 3.183 122.968 119.800 -0.025 0.000 2.079 1401 Q HA -0.164 4.176 4.340 -0.000 0.000 0.200 1401 Q C 0.237 176.060 176.000 -0.296 0.000 0.974 1401 Q CA 1.252 56.937 55.803 -0.195 0.000 0.840 1401 Q CB 0.091 28.635 28.738 -0.324 0.000 0.898 1401 Q HN 0.579 nan 8.270 nan 0.000 0.430 1402 Y N -0.280 120.045 120.300 0.043 0.000 2.775 1402 Y HA 0.249 4.799 4.550 -0.000 0.000 0.349 1402 Y C 0.773 176.729 175.900 0.093 0.000 1.094 1402 Y CA -0.198 57.934 58.100 0.054 0.000 1.467 1402 Y CB 0.650 39.131 38.460 0.036 0.000 1.272 1402 Y HN 0.049 nan 8.280 nan 0.000 0.515 1403 S N -2.324 113.482 115.700 0.177 0.000 2.597 1403 S HA 0.271 4.741 4.470 -0.000 0.000 0.275 1403 S C 1.738 176.423 174.600 0.142 0.000 1.040 1403 S CA 0.329 58.651 58.200 0.203 0.000 1.187 1403 S CB 0.404 63.814 63.200 0.349 0.000 0.988 1403 S HN 0.579 nan 8.310 nan 0.000 0.490 1404 G N 1.228 110.095 108.800 0.111 0.000 2.550 1404 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.233 1404 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.233 1404 G C 0.536 175.495 174.900 0.099 0.000 1.170 1404 G CA 0.423 45.563 45.100 0.067 0.000 0.693 1404 G HN 1.480 nan 8.290 nan 0.000 0.512 1405 G N -3.090 105.795 108.800 0.142 0.000 2.348 1405 G HA2 0.488 4.447 3.960 -0.000 0.000 0.296 1405 G HA3 0.488 4.447 3.960 -0.000 0.000 0.296 1405 G C 0.139 175.091 174.900 0.087 0.000 1.258 1405 G CA 0.546 45.731 45.100 0.142 0.000 0.868 1405 G HN 1.011 nan 8.290 nan 0.000 0.488 1406 C N -1.550 117.734 119.300 -0.026 0.000 2.605 1406 C HA 0.381 4.841 4.460 -0.000 0.000 0.364 1406 C C 0.592 175.592 174.990 0.016 0.000 1.656 1406 C CA -0.108 58.819 59.018 -0.152 0.000 2.400 1406 C CB -0.545 26.918 27.740 -0.461 0.000 2.132 1406 C HN 0.533 nan 8.230 nan 0.000 0.668 1407 Y N 4.053 124.266 120.300 -0.145 0.000 2.529 1407 Y HA 0.198 4.748 4.550 -0.000 0.000 0.342 1407 Y C 1.467 177.399 175.900 0.053 0.000 1.249 1407 Y CA 0.457 58.504 58.100 -0.088 0.000 1.810 1407 Y CB -0.906 37.492 38.460 -0.104 0.000 1.653 1407 Y HN 0.697 nan 8.280 nan 0.000 0.451 1408 T N -0.271 114.418 114.554 0.225 0.000 0.566 1408 T HA -0.318 4.032 4.350 -0.000 0.000 0.771 1408 T C 0.168 174.997 174.700 0.215 0.000 0.991 1408 T CA -0.064 62.185 62.100 0.247 0.000 4.057 1408 T CB -0.592 68.514 68.868 0.396 0.000 2.293 1408 T HN 0.753 nan 8.240 nan 0.000 0.398 1409 A N 1.184 124.127 122.820 0.205 0.000 2.282 1409 A HA 0.753 5.073 4.320 -0.000 0.000 0.319 1409 A C -0.364 177.258 177.584 0.063 0.000 1.121 1409 A CA -0.504 51.553 52.037 0.032 0.000 0.836 1409 A CB 0.506 19.448 19.000 -0.096 0.000 1.146 1409 A HN 1.724 nan 8.150 nan 0.000 0.494 1410 Y N -1.434 118.675 120.300 -0.319 0.000 2.485 1410 Y HA 0.769 5.319 4.550 -0.000 0.000 0.345 1410 Y C -1.337 173.958 175.900 -1.007 0.000 0.998 1410 Y CA -2.053 55.443 58.100 -1.007 0.000 1.059 1410 Y CB 0.801 38.881 38.460 -0.632 0.000 1.234 1410 Y HN 0.389 nan 8.280 nan 0.000 0.461 1411 F N 4.472 123.454 119.950 -1.613 0.000 2.411 1411 F HA 0.552 5.079 4.527 -0.000 0.000 0.355 1411 F C -2.123 173.536 175.800 -0.235 0.000 1.117 1411 F CA -2.304 55.242 58.000 -0.757 0.000 1.139 1411 F CB 1.143 39.781 39.000 -0.604 0.000 1.120 1411 F HN 0.390 nan 8.300 nan 0.000 0.493 1412 P HA 0.251 nan 4.420 nan 0.000 0.282 1412 P C -2.660 174.735 177.300 0.159 0.000 1.287 1412 P CA -1.522 61.663 63.100 0.142 0.000 0.792 1412 P CB 0.248 31.985 31.700 0.062 0.000 1.163 1413 P HA 0.041 nan 4.420 nan 0.000 0.266 1413 P C 0.951 178.316 177.300 0.109 0.000 1.195 1413 P CA 1.353 64.536 63.100 0.138 0.000 0.768 1413 P CB -0.123 31.639 31.700 0.104 0.000 0.838 1414 G N 2.126 110.997 108.800 0.118 0.000 2.284 1414 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.261 1414 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.261 1414 G C 0.924 175.859 174.900 0.058 0.000 0.997 1414 G CA 0.457 45.601 45.100 0.073 0.000 0.621 1414 G HN 0.444 nan 8.290 nan 0.000 0.534 1415 I N 0.092 120.727 120.570 0.109 0.000 2.277 1415 I HA 0.109 4.279 4.170 -0.000 0.000 0.243 1415 I C 2.682 178.939 176.117 0.235 0.000 1.094 1415 I CA 2.151 63.527 61.300 0.126 0.000 1.393 1415 I CB -0.469 37.577 38.000 0.077 0.000 1.078 1415 I HN 0.337 nan 8.210 nan 0.000 0.417 1416 M N 0.711 120.542 119.600 0.385 0.000 2.088 1416 M HA -0.241 4.239 4.480 -0.000 0.000 0.256 1416 M C 2.189 178.578 176.300 0.149 0.000 1.071 1416 M CA 2.510 57.978 55.300 0.280 0.000 1.097 1416 M CB -1.121 31.553 32.600 0.124 0.000 1.315 1416 M HN 0.412 nan 8.290 nan 0.000 0.406 1417 T N -2.260 112.363 114.554 0.114 0.000 3.284 1417 T HA 0.028 4.378 4.350 -0.000 0.000 0.252 1417 T C 1.379 176.043 174.700 -0.060 0.000 1.144 1417 T CA 1.044 63.180 62.100 0.060 0.000 1.021 1417 T CB -0.195 68.712 68.868 0.065 0.000 0.984 1417 T HN 0.717 nan 8.240 nan 0.000 0.545 1418 Q N -0.626 119.091 119.800 -0.139 0.000 2.620 1418 Q HA 0.262 4.602 4.340 -0.000 0.000 0.232 1418 Q C 0.679 176.427 176.000 -0.420 0.000 0.836 1418 Q CA -0.177 55.403 55.803 -0.371 0.000 0.938 1418 Q CB 0.578 28.961 28.738 -0.592 0.000 1.242 1418 Q HN 0.679 nan 8.270 nan 0.000 0.624 1419 Y N -1.016 119.231 120.300 -0.089 0.000 2.500 1419 Y HA 0.367 4.917 4.550 -0.000 0.000 0.246 1419 Y C 1.667 177.467 175.900 -0.167 0.000 1.146 1419 Y CA -0.198 57.816 58.100 -0.143 0.000 1.230 1419 Y CB 1.141 39.521 38.460 -0.132 0.000 1.214 1419 Y HN 0.300 nan 8.280 nan 0.000 0.526 1420 G N 1.580 110.380 108.800 0.001 0.000 2.422 1420 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.218 1420 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.218 1420 G C 1.605 176.166 174.900 -0.565 0.000 1.146 1420 G CA 0.806 45.895 45.100 -0.019 0.000 0.769 1420 G HN 0.469 nan 8.290 nan 0.000 0.547 1421 R N 0.178 120.030 120.500 -1.079 0.000 2.438 1421 R HA 0.001 4.341 4.340 -0.000 0.000 0.227 1421 R C 1.379 177.215 176.300 -0.773 0.000 1.153 1421 R CA 1.300 56.384 56.100 -1.694 0.000 1.059 1421 R CB -0.462 29.105 30.300 -1.222 0.000 0.831 1421 R HN 0.306 nan 8.270 nan 0.000 0.487 1422 V N 1.528 121.179 119.914 -0.439 0.000 3.085 1422 V HA -0.040 4.080 4.120 -0.000 0.000 0.245 1422 V C 2.254 178.237 176.094 -0.185 0.000 1.114 1422 V CA 0.730 62.877 62.300 -0.255 0.000 1.108 1422 V CB -0.228 31.455 31.823 -0.233 0.000 0.798 1422 V HN 0.371 nan 8.190 nan 0.000 0.471 1423 I N 1.860 122.357 120.570 -0.121 0.000 2.317 1423 I HA -0.465 3.705 4.170 -0.000 0.000 0.244 1423 I C 2.408 178.506 176.117 -0.031 0.000 0.986 1423 I CA 2.956 64.227 61.300 -0.047 0.000 1.286 1423 I CB -0.913 37.176 38.000 0.147 0.000 0.983 1423 I HN 0.460 nan 8.210 nan 0.000 0.422 1424 R N 1.469 122.024 120.500 0.092 0.000 2.265 1424 R HA 0.158 4.498 4.340 -0.000 0.000 0.194 1424 R C 1.288 177.701 176.300 0.188 0.000 0.931 1424 R CA -0.063 56.155 56.100 0.197 0.000 1.032 1424 R CB -0.240 30.249 30.300 0.315 0.000 0.980 1424 R HN 0.485 nan 8.270 nan 0.000 0.497 1425 Q N 2.625 122.473 119.800 0.080 0.000 2.274 1425 Q HA 0.136 4.476 4.340 -0.000 0.000 0.280 1425 Q C -2.108 173.951 176.000 0.097 0.000 1.047 1425 Q CA -1.830 54.013 55.803 0.066 0.000 0.907 1425 Q CB 0.818 29.547 28.738 -0.015 0.000 1.171 1425 Q HN 0.077 nan 8.270 nan 0.000 0.381 1426 P HA 0.014 nan 4.420 nan 0.000 0.271 1426 P C -1.240 176.062 177.300 0.002 0.000 1.218 1426 P CA -0.179 62.900 63.100 -0.036 0.000 0.780 1426 P CB 0.773 32.163 31.700 -0.518 0.000 0.901 1427 V N 2.836 122.795 119.914 0.074 0.000 2.235 1427 V HA 0.421 4.541 4.120 -0.000 0.000 0.266 1427 V C 0.612 176.695 176.094 -0.019 0.000 1.055 1427 V CA -0.315 62.011 62.300 0.044 0.000 0.844 1427 V CB -0.026 31.871 31.823 0.122 0.000 1.097 1427 V HN 0.947 nan 8.190 nan 0.000 0.453 1428 G N 4.329 113.098 108.800 -0.052 0.000 2.511 1428 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.175 1428 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.175 1428 G C 0.691 175.586 174.900 -0.008 0.000 0.233 1428 G CA 0.705 45.791 45.100 -0.025 0.000 1.033 1428 G HN 0.868 nan 8.290 nan 0.000 0.464 1429 R N -0.641 119.894 120.500 0.059 0.000 4.024 1429 R HA -0.243 4.097 4.340 -0.000 0.000 0.391 1429 R C 0.839 177.274 176.300 0.225 0.000 1.157 1429 R CA 1.921 58.173 56.100 0.253 0.000 1.215 1429 R CB -1.155 29.172 30.300 0.045 0.000 1.738 1429 R HN 0.679 nan 8.270 nan 0.000 0.566 1430 I N 1.363 121.921 120.570 -0.020 0.000 2.354 1430 I HA 0.256 4.426 4.170 -0.000 0.000 0.286 1430 I C -0.247 175.670 176.117 -0.333 0.000 1.007 1430 I CA -0.664 60.578 61.300 -0.098 0.000 1.167 1430 I CB 0.845 38.767 38.000 -0.131 0.000 1.320 1430 I HN -0.121 nan 8.210 nan 0.000 0.458 1431 Y N 5.645 125.799 120.300 -0.243 0.000 2.453 1431 Y HA 0.503 5.053 4.550 -0.000 0.000 0.326 1431 Y C -0.337 175.325 175.900 -0.397 0.000 1.186 1431 Y CA -0.669 57.330 58.100 -0.170 0.000 1.200 1431 Y CB 1.183 39.608 38.460 -0.058 0.000 1.247 1431 Y HN 0.267 nan 8.280 nan 0.000 0.482 1432 F N 0.842 120.886 119.950 0.156 0.000 2.458 1432 F HA 0.720 5.247 4.527 -0.000 0.000 0.336 1432 F C 0.425 176.291 175.800 0.109 0.000 1.114 1432 F CA -0.634 57.435 58.000 0.116 0.000 0.987 1432 F CB 1.276 40.326 39.000 0.083 0.000 1.130 1432 F HN 0.599 nan 8.300 nan 0.000 0.458 1433 A N 1.906 124.862 122.820 0.228 0.000 3.791 1433 A HA 0.945 5.265 4.320 -0.000 0.000 0.159 1433 A C 0.270 177.968 177.584 0.191 0.000 1.359 1433 A CA -0.465 51.668 52.037 0.160 0.000 0.899 1433 A CB -0.015 19.036 19.000 0.084 0.000 1.642 1433 A HN 1.589 nan 8.150 nan 0.000 0.612 1434 G N -2.226 106.664 108.800 0.151 0.000 2.879 1434 G HA2 0.084 4.044 3.960 -0.000 0.000 0.686 1434 G HA3 0.084 4.044 3.960 -0.000 0.000 0.686 1434 G C 0.456 175.472 174.900 0.192 0.000 1.115 1434 G CA 0.682 45.881 45.100 0.165 0.000 0.770 1434 G HN 1.676 nan 8.290 nan 0.000 0.601 1435 T N 0.212 114.882 114.554 0.194 0.000 2.822 1435 T HA -0.128 4.222 4.350 -0.000 0.000 0.270 1435 T C 2.143 177.025 174.700 0.303 0.000 1.064 1435 T CA 2.335 64.576 62.100 0.235 0.000 1.131 1435 T CB -0.272 68.737 68.868 0.235 0.000 0.858 1435 T HN 0.651 nan 8.240 nan 0.000 0.483 1436 E N 0.891 121.271 120.200 0.301 0.000 2.333 1436 E HA -0.080 4.270 4.350 -0.000 0.000 0.198 1436 E C 2.026 178.860 176.600 0.391 0.000 1.007 1436 E CA 1.456 58.078 56.400 0.371 0.000 0.845 1436 E CB -0.716 29.159 29.700 0.291 0.000 0.766 1436 E HN 0.800 nan 8.360 nan 0.000 0.507 1437 T N -2.550 112.200 114.554 0.326 0.000 3.092 1437 T HA 0.544 4.894 4.350 -0.000 0.000 0.258 1437 T C 0.864 175.770 174.700 0.343 0.000 1.031 1437 T CA 0.078 62.372 62.100 0.323 0.000 0.925 1437 T CB 0.320 69.351 68.868 0.272 0.000 1.036 1437 T HN 0.145 nan 8.240 nan 0.000 0.544 1438 A N 0.977 124.002 122.820 0.341 0.000 2.281 1438 A HA 0.579 4.899 4.320 -0.000 0.000 0.271 1438 A C 1.350 179.167 177.584 0.389 0.000 1.196 1438 A CA 0.077 52.303 52.037 0.315 0.000 0.807 1438 A CB 0.004 19.164 19.000 0.267 0.000 1.138 1438 A HN 0.302 nan 8.150 nan 0.000 0.506 1439 T N -0.604 114.146 114.554 0.325 0.000 2.980 1439 T HA 0.186 4.536 4.350 -0.000 0.000 0.252 1439 T C 0.148 174.894 174.700 0.077 0.000 0.962 1439 T CA 0.405 62.681 62.100 0.294 0.000 0.932 1439 T CB 0.107 69.164 68.868 0.315 0.000 1.188 1439 T HN 0.650 nan 8.240 nan 0.000 0.500 1440 Q N -0.084 119.749 119.800 0.057 0.000 2.325 1440 Q HA 0.363 4.703 4.340 -0.000 0.000 0.270 1440 Q C -1.093 174.892 176.000 -0.025 0.000 1.020 1440 Q CA -0.753 54.989 55.803 -0.102 0.000 0.785 1440 Q CB 1.537 30.300 28.738 0.041 0.000 1.259 1440 Q HN 0.398 nan 8.270 nan 0.000 0.452 1441 W N 0.692 121.815 121.300 -0.294 0.000 4.706 1441 W HA -0.240 4.420 4.660 -0.000 0.000 0.366 1441 W C 0.254 176.720 176.519 -0.088 0.000 1.382 1441 W CA 0.535 57.679 57.345 -0.336 0.000 0.832 1441 W CB -1.543 27.749 29.460 -0.280 0.000 2.504 1441 W HN 0.515 nan 8.180 nan 0.000 1.403 1442 S N 0.510 116.216 115.700 0.011 0.000 2.560 1442 S HA 0.442 4.912 4.470 -0.000 0.000 0.284 1442 S C 1.387 176.215 174.600 0.380 0.000 1.327 1442 S CA 1.589 59.939 58.200 0.250 0.000 1.055 1442 S CB 1.036 64.463 63.200 0.378 0.000 0.868 1442 S HN 1.427 nan 8.310 nan 0.000 0.506 1443 G N 2.990 112.058 108.800 0.447 0.000 2.258 1443 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.233 1443 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.233 1443 G C -0.104 174.979 174.900 0.306 0.000 1.006 1443 G CA 0.293 45.672 45.100 0.466 0.000 0.620 1443 G HN 0.681 nan 8.290 nan 0.000 0.511 1444 Y N -0.146 120.265 120.300 0.185 0.000 2.545 1444 Y HA 0.736 5.286 4.550 -0.000 0.000 0.324 1444 Y C 2.110 178.067 175.900 0.095 0.000 1.220 1444 Y CA -0.532 57.639 58.100 0.117 0.000 1.290 1444 Y CB 0.634 39.182 38.460 0.148 0.000 1.355 1444 Y HN 0.017 nan 8.280 nan 0.000 0.516 1445 M N -0.201 119.519 119.600 0.200 0.000 2.086 1445 M HA -0.195 4.285 4.480 -0.000 0.000 0.261 1445 M C 2.004 178.388 176.300 0.140 0.000 1.067 1445 M CA 1.676 57.061 55.300 0.143 0.000 1.116 1445 M CB -0.244 32.434 32.600 0.130 0.000 1.348 1445 M HN 0.747 nan 8.290 nan 0.000 0.407 1446 E N 0.322 120.586 120.200 0.108 0.000 2.118 1446 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 1446 E C 1.990 178.683 176.600 0.154 0.000 0.992 1446 E CA 1.629 58.074 56.400 0.074 0.000 0.804 1446 E CB -0.222 29.437 29.700 -0.068 0.000 0.741 1446 E HN 0.582 nan 8.360 nan 0.000 0.458 1447 G N 0.866 109.810 108.800 0.239 0.000 2.440 1447 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.218 1447 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.218 1447 G C 1.692 176.708 174.900 0.195 0.000 1.154 1447 G CA 1.361 46.610 45.100 0.249 0.000 0.767 1447 G HN 0.419 nan 8.290 nan 0.000 0.552 1448 A N 0.231 123.156 122.820 0.174 0.000 1.883 1448 A HA 0.015 4.335 4.320 -0.000 0.000 0.217 1448 A C 2.639 180.284 177.584 0.102 0.000 1.186 1448 A CA 2.085 54.205 52.037 0.138 0.000 0.624 1448 A CB -0.766 18.307 19.000 0.121 0.000 0.822 1448 A HN 0.313 nan 8.150 nan 0.000 0.444 1449 V N 0.284 120.251 119.914 0.090 0.000 2.287 1449 V HA -0.324 3.796 4.120 -0.000 0.000 0.248 1449 V C 2.512 178.633 176.094 0.045 0.000 1.053 1449 V CA 2.380 64.715 62.300 0.057 0.000 1.027 1449 V CB -0.957 30.897 31.823 0.052 0.000 0.646 1449 V HN 0.769 nan 8.190 nan 0.000 0.447 1450 E N 0.476 120.719 120.200 0.072 0.000 2.068 1450 E HA -0.344 4.006 4.350 -0.000 0.000 0.207 1450 E C 2.209 178.802 176.600 -0.011 0.000 1.032 1450 E CA 2.087 58.519 56.400 0.052 0.000 0.839 1450 E CB -0.256 29.514 29.700 0.116 0.000 0.758 1450 E HN 0.558 nan 8.360 nan 0.000 0.457 1451 A N 0.802 123.642 122.820 0.034 0.000 1.845 1451 A HA -0.107 4.213 4.320 -0.000 0.000 0.215 1451 A C 2.545 180.118 177.584 -0.019 0.000 1.195 1451 A CA 2.095 54.139 52.037 0.012 0.000 0.616 1451 A CB -1.575 17.485 19.000 0.100 0.000 0.832 1451 A HN 0.502 nan 8.150 nan 0.000 0.443 1452 G N -0.149 108.658 108.800 0.011 0.000 2.606 1452 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.221 1452 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.221 1452 G C 1.416 176.283 174.900 -0.055 0.000 1.152 1452 G CA 1.353 46.448 45.100 -0.008 0.000 0.765 1452 G HN 0.701 nan 8.290 nan 0.000 0.595 1453 E N -0.287 119.872 120.200 -0.068 0.000 2.033 1453 E HA -0.055 4.295 4.350 -0.000 0.000 0.189 1453 E C 2.615 179.108 176.600 -0.179 0.000 0.979 1453 E CA 0.281 56.617 56.400 -0.105 0.000 0.802 1453 E CB -0.268 29.387 29.700 -0.076 0.000 0.763 1453 E HN 0.190 nan 8.360 nan 0.000 0.449 1454 R N 1.699 122.058 120.500 -0.236 0.000 2.115 1454 R HA -0.195 4.145 4.340 -0.000 0.000 0.239 1454 R C 2.183 178.300 176.300 -0.306 0.000 1.133 1454 R CA 2.041 57.891 56.100 -0.416 0.000 0.935 1454 R CB -0.818 29.108 30.300 -0.624 0.000 0.853 1454 R HN 0.182 nan 8.270 nan 0.000 0.433 1455 A N 0.640 123.352 122.820 -0.180 0.000 1.883 1455 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 1455 A C 2.498 179.960 177.584 -0.204 0.000 1.186 1455 A CA 2.475 54.450 52.037 -0.103 0.000 0.624 1455 A CB -0.975 18.017 19.000 -0.014 0.000 0.822 1455 A HN 0.571 nan 8.150 nan 0.000 0.444 1456 A N -0.001 122.701 122.820 -0.197 0.000 1.859 1456 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 1456 A C 2.229 179.620 177.584 -0.321 0.000 1.198 1456 A CA 1.888 53.782 52.037 -0.239 0.000 0.629 1456 A CB -0.635 18.251 19.000 -0.190 0.000 0.830 1456 A HN 0.586 nan 8.150 nan 0.000 0.446 1457 R N -0.361 119.958 120.500 -0.303 0.000 2.117 1457 R HA -0.178 4.162 4.340 -0.000 0.000 0.243 1457 R C 2.145 178.260 176.300 -0.308 0.000 1.143 1457 R CA 1.623 57.534 56.100 -0.315 0.000 0.968 1457 R CB -0.463 29.686 30.300 -0.251 0.000 0.863 1457 R HN 0.718 nan 8.270 nan 0.000 0.444 1458 E N 0.262 120.281 120.200 -0.302 0.000 2.058 1458 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 1458 E C 2.059 178.327 176.600 -0.553 0.000 0.997 1458 E CA 1.652 57.878 56.400 -0.290 0.000 0.801 1458 E CB -0.069 29.551 29.700 -0.135 0.000 0.746 1458 E HN 0.140 nan 8.360 nan 0.000 0.450 1459 V N 1.437 120.892 119.914 -0.765 0.000 2.427 1459 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 1459 V C 2.293 178.013 176.094 -0.624 0.000 1.051 1459 V CA 1.310 63.068 62.300 -0.904 0.000 1.048 1459 V CB -0.448 30.941 31.823 -0.725 0.000 0.666 1459 V HN 0.240 nan 8.190 nan 0.000 0.456 1460 L N 0.852 121.801 121.223 -0.456 0.000 2.027 1460 L HA -0.178 4.162 4.340 -0.000 0.000 0.206 1460 L C 2.638 179.346 176.870 -0.269 0.000 1.074 1460 L CA 2.018 56.642 54.840 -0.359 0.000 0.745 1460 L CB -0.878 40.909 42.059 -0.454 0.000 0.898 1460 L HN 0.498 nan 8.230 nan 0.000 0.433 1461 N N 1.154 119.705 118.700 -0.247 0.000 2.205 1461 N HA -0.211 4.528 4.740 -0.000 0.000 0.186 1461 N C 1.695 177.125 175.510 -0.133 0.000 1.015 1461 N CA 1.616 54.581 53.050 -0.143 0.000 0.862 1461 N CB 0.087 38.518 38.487 -0.093 0.000 0.986 1461 N HN 0.313 nan 8.380 nan 0.000 0.429 1462 A N 0.566 123.240 122.820 -0.243 0.000 2.172 1462 A HA 0.078 4.398 4.320 -0.000 0.000 0.216 1462 A C 2.083 179.564 177.584 -0.170 0.000 1.154 1462 A CA 0.456 52.359 52.037 -0.223 0.000 0.701 1462 A CB -0.223 18.483 19.000 -0.491 0.000 0.789 1462 A HN 0.376 nan 8.150 nan 0.000 0.465 1463 L N -1.921 119.189 121.223 -0.189 0.000 2.693 1463 L HA 0.287 4.627 4.340 -0.000 0.000 0.235 1463 L C 1.610 178.468 176.870 -0.020 0.000 1.127 1463 L CA 0.469 55.266 54.840 -0.071 0.000 0.914 1463 L CB 0.171 42.175 42.059 -0.092 0.000 1.193 1463 L HN 0.490 nan 8.230 nan 0.000 0.502 1464 G N 0.325 109.108 108.800 -0.028 0.000 2.179 1464 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.260 1464 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.260 1464 G C 1.108 176.016 174.900 0.014 0.000 0.977 1464 G CA 0.345 45.447 45.100 0.002 0.000 0.641 1464 G HN 0.291 nan 8.290 nan 0.000 0.533 1465 K N -0.503 119.901 120.400 0.005 0.000 2.365 1465 K HA 0.313 4.633 4.320 -0.000 0.000 0.197 1465 K C 0.689 177.333 176.600 0.072 0.000 1.042 1465 K CA 0.864 57.191 56.287 0.065 0.000 0.987 1465 K CB 0.792 33.354 32.500 0.103 0.000 0.779 1465 K HN 0.412 nan 8.250 nan 0.000 0.484 1466 V N 0.808 120.716 119.914 -0.010 0.000 2.760 1466 V HA 0.386 4.506 4.120 -0.000 0.000 0.309 1466 V C -0.425 175.668 176.094 -0.003 0.000 1.077 1466 V CA -1.437 60.858 62.300 -0.010 0.000 0.910 1466 V CB 1.775 33.538 31.823 -0.100 0.000 1.008 1466 V HN 0.135 nan 8.190 nan 0.000 0.424 1467 A N 2.614 125.448 122.820 0.024 0.000 2.386 1467 A HA 0.348 4.668 4.320 -0.000 0.000 0.248 1467 A C 1.231 178.838 177.584 0.039 0.000 1.082 1467 A CA 0.018 52.075 52.037 0.033 0.000 0.789 1467 A CB 0.143 19.168 19.000 0.042 0.000 1.025 1467 A HN 0.982 nan 8.150 nan 0.000 0.490 1468 K N 0.265 120.695 120.400 0.050 0.000 2.281 1468 K HA -0.160 4.160 4.320 -0.000 0.000 0.203 1468 K C 1.806 178.467 176.600 0.102 0.000 1.046 1468 K CA 1.679 58.010 56.287 0.073 0.000 0.938 1468 K CB 0.060 32.603 32.500 0.072 0.000 0.737 1468 K HN 0.635 nan 8.250 nan 0.000 0.458 1469 K N 1.211 121.661 120.400 0.085 0.000 2.020 1469 K HA -0.076 4.244 4.320 -0.000 0.000 0.206 1469 K C 0.440 177.109 176.600 0.114 0.000 1.038 1469 K CA 1.414 57.759 56.287 0.097 0.000 0.947 1469 K CB -0.147 32.394 32.500 0.069 0.000 0.744 1469 K HN 0.105 nan 8.250 nan 0.000 0.442 1470 D N 1.602 122.051 120.400 0.082 0.000 2.488 1470 D HA -0.074 4.566 4.640 -0.000 0.000 0.260 1470 D C 1.331 177.664 176.300 0.055 0.000 1.273 1470 D CA 0.231 54.275 54.000 0.074 0.000 0.912 1470 D CB -0.085 40.751 40.800 0.060 0.000 0.982 1470 D HN 0.299 nan 8.370 nan 0.000 0.492 1471 I N -1.337 119.285 120.570 0.087 0.000 2.731 1471 I HA -0.015 4.155 4.170 -0.000 0.000 0.260 1471 I C 0.003 176.093 176.117 -0.046 0.000 1.138 1471 I CA 0.240 61.546 61.300 0.010 0.000 1.461 1471 I CB 0.628 38.661 38.000 0.055 0.000 1.128 1471 I HN -0.091 nan 8.210 nan 0.000 0.438 1472 W N 1.337 122.651 121.300 0.023 0.000 2.282 1472 W HA 0.444 5.104 4.660 -0.000 0.000 0.322 1472 W C -0.700 175.836 176.519 0.029 0.000 1.011 1472 W CA -0.465 56.899 57.345 0.033 0.000 1.392 1472 W CB 1.048 30.532 29.460 0.040 0.000 1.215 1472 W HN -0.337 nan 8.180 nan 0.000 0.394 1473 V N 3.524 123.535 119.914 0.161 0.000 2.394 1473 V HA 0.219 4.339 4.120 -0.000 0.000 0.282 1473 V C 0.384 176.551 176.094 0.122 0.000 1.031 1473 V CA -1.232 61.141 62.300 0.120 0.000 0.881 1473 V CB 1.163 33.025 31.823 0.064 0.000 0.982 1473 V HN 0.369 nan 8.190 nan 0.000 0.451 1474 E N 2.435 122.700 120.200 0.109 0.000 2.373 1474 E HA 0.219 4.569 4.350 -0.000 0.000 0.267 1474 E C -0.448 176.194 176.600 0.070 0.000 1.032 1474 E CA -0.224 56.231 56.400 0.092 0.000 0.889 1474 E CB 1.079 30.822 29.700 0.073 0.000 0.984 1474 E HN 0.646 nan 8.360 nan 0.000 0.425 1475 E N 3.023 123.263 120.200 0.067 0.000 2.216 1475 E HA 0.241 4.591 4.350 -0.000 0.000 0.279 1475 E C -2.447 174.178 176.600 0.041 0.000 0.997 1475 E CA -2.084 54.348 56.400 0.052 0.000 0.817 1475 E CB 0.843 30.575 29.700 0.054 0.000 1.096 1475 E HN 0.101 nan 8.360 nan 0.000 0.393 1476 P HA 0.079 nan 4.420 nan 0.000 0.276 1476 P C -1.003 176.311 177.300 0.022 0.000 1.253 1476 P CA -0.193 62.923 63.100 0.026 0.000 0.766 1476 P CB 0.552 32.265 31.700 0.022 0.000 0.845 1477 E N 2.658 122.871 120.200 0.020 0.000 2.585 1477 E HA -0.025 4.325 4.350 -0.000 0.000 0.252 1477 E C -0.115 176.492 176.600 0.011 0.000 0.981 1477 E CA 0.010 56.420 56.400 0.016 0.000 0.943 1477 E CB 0.275 29.983 29.700 0.014 0.000 0.923 1477 E HN 0.313 nan 8.360 nan 0.000 0.486 1478 S N 4.070 119.774 115.700 0.008 0.000 2.546 1478 S HA -0.016 4.454 4.470 -0.000 0.000 0.290 1478 S C 0.793 175.395 174.600 0.005 0.000 1.262 1478 S CA 0.042 58.246 58.200 0.006 0.000 1.083 1478 S CB 0.451 63.653 63.200 0.002 0.000 0.859 1478 S HN 0.545 nan 8.310 nan 0.000 0.495 1479 K N 3.322 123.727 120.400 0.007 0.000 2.439 1479 K HA -0.027 4.293 4.320 -0.000 0.000 0.197 1479 K C 0.610 177.215 176.600 0.007 0.000 1.041 1479 K CA 1.097 57.388 56.287 0.007 0.000 0.970 1479 K CB 0.042 32.547 32.500 0.008 0.000 0.773 1479 K HN 0.607 nan 8.250 nan 0.000 0.479 1480 D N -0.341 120.064 120.400 0.008 0.000 2.271 1480 D HA -0.034 4.606 4.640 -0.000 0.000 0.206 1480 D C -0.224 176.079 176.300 0.005 0.000 0.967 1480 D CA 0.657 54.663 54.000 0.010 0.000 0.867 1480 D CB 0.612 41.422 40.800 0.016 0.000 0.960 1480 D HN -0.163 nan 8.370 nan 0.000 0.509 1481 V N 2.068 121.980 119.914 -0.003 0.000 2.383 1481 V HA 0.283 4.403 4.120 -0.000 0.000 0.264 1481 V C -2.451 173.634 176.094 -0.015 0.000 1.001 1481 V CA -1.568 60.723 62.300 -0.015 0.000 0.828 1481 V CB 1.182 32.986 31.823 -0.032 0.000 1.069 1481 V HN -0.097 nan 8.190 nan 0.000 0.451 1482 P HA 0.137 nan 4.420 nan 0.000 0.266 1482 P C 0.086 177.382 177.300 -0.006 0.000 1.195 1482 P CA 0.145 63.243 63.100 -0.004 0.000 0.768 1482 P CB 0.730 32.430 31.700 0.001 0.000 0.838 1483 A N 4.906 127.725 122.820 -0.002 0.000 3.037 1483 A HA 0.200 4.520 4.320 -0.000 0.000 0.272 1483 A C 0.470 178.055 177.584 0.001 0.000 1.723 1483 A CA -0.416 51.621 52.037 0.001 0.000 1.413 1483 A CB -1.345 17.660 19.000 0.008 0.000 1.112 1483 A HN 0.505 nan 8.150 nan 0.000 0.606 1484 I N 2.363 122.933 120.570 -0.001 0.000 2.662 1484 I HA -0.031 4.139 4.170 -0.000 0.000 0.285 1484 I C 0.560 176.676 176.117 -0.001 0.000 1.161 1484 I CA -0.124 61.177 61.300 0.001 0.000 1.415 1484 I CB 0.327 38.329 38.000 0.002 0.000 1.385 1484 I HN 0.530 nan 8.210 nan 0.000 0.552 1485 E N 6.496 126.696 120.200 -0.001 0.000 2.468 1485 E HA 0.054 4.404 4.350 -0.000 0.000 0.263 1485 E C -0.106 176.486 176.600 -0.013 0.000 1.192 1485 E CA 0.056 56.451 56.400 -0.007 0.000 1.016 1485 E CB 0.605 30.304 29.700 -0.002 0.000 0.980 1485 E HN 0.497 nan 8.360 nan 0.000 0.467 1486 I N -1.315 119.234 120.570 -0.034 0.000 2.297 1486 I HA 0.214 4.384 4.170 -0.000 0.000 0.291 1486 I C -0.075 176.020 176.117 -0.036 0.000 1.033 1486 I CA -0.708 60.559 61.300 -0.054 0.000 1.253 1486 I CB 0.805 38.730 38.000 -0.124 0.000 1.396 1486 I HN -0.051 nan 8.210 nan 0.000 0.476 1487 T N 5.204 119.766 114.554 0.013 0.000 2.751 1487 T HA 0.099 4.449 4.350 -0.000 0.000 0.290 1487 T C -0.107 174.676 174.700 0.138 0.000 0.919 1487 T CA 0.294 62.435 62.100 0.068 0.000 1.136 1487 T CB -0.480 68.433 68.868 0.075 0.000 0.875 1487 T HN 0.522 nan 8.240 nan 0.000 0.532 1488 H N 2.742 121.836 119.070 0.041 0.000 2.691 1488 H HA 0.189 4.745 4.556 -0.000 0.000 0.281 1488 H C 0.378 175.739 175.328 0.056 0.000 1.121 1488 H CA -0.837 55.233 56.048 0.037 0.000 1.254 1488 H CB 0.513 30.288 29.762 0.020 0.000 1.390 1488 H HN 0.562 nan 8.280 nan 0.000 0.491 1489 T N 3.392 118.037 114.554 0.152 0.000 2.923 1489 T HA -0.198 4.152 4.350 -0.000 0.000 0.320 1489 T C 1.326 176.077 174.700 0.085 0.000 1.074 1489 T CA 0.374 62.546 62.100 0.121 0.000 1.131 1489 T CB 0.245 69.181 68.868 0.114 0.000 1.058 1489 T HN 0.477 nan 8.240 nan 0.000 0.535 1490 F N 2.555 122.513 119.950 0.012 0.000 2.134 1490 F HA -0.074 4.453 4.527 -0.000 0.000 0.299 1490 F C 1.869 177.659 175.800 -0.016 0.000 1.097 1490 F CA 1.417 59.415 58.000 -0.004 0.000 1.264 1490 F CB -0.428 38.578 39.000 0.009 0.000 1.001 1490 F HN 0.507 nan 8.300 nan 0.000 0.479 1491 L N 0.293 121.454 121.223 -0.103 0.000 1.970 1491 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 1491 L C 2.510 179.243 176.870 -0.229 0.000 1.071 1491 L CA 2.065 56.795 54.840 -0.183 0.000 0.751 1491 L CB -0.883 41.207 42.059 0.052 0.000 0.889 1491 L HN 0.183 nan 8.230 nan 0.000 0.432 1492 E N -0.257 119.850 120.200 -0.155 0.000 2.070 1492 E HA -0.313 4.037 4.350 -0.000 0.000 0.197 1492 E C 2.172 178.585 176.600 -0.312 0.000 1.004 1492 E CA 1.425 57.694 56.400 -0.218 0.000 0.805 1492 E CB -0.256 29.319 29.700 -0.209 0.000 0.744 1492 E HN 0.228 nan 8.360 nan 0.000 0.451 1493 R N 1.191 121.484 120.500 -0.345 0.000 2.159 1493 R HA -0.117 4.223 4.340 -0.000 0.000 0.237 1493 R C 1.200 177.319 176.300 -0.302 0.000 1.131 1493 R CA 1.687 57.593 56.100 -0.324 0.000 0.982 1493 R CB -0.039 30.121 30.300 -0.234 0.000 0.868 1493 R HN 0.160 nan 8.270 nan 0.000 0.453 1494 N N -0.910 117.556 118.700 -0.390 0.000 2.317 1494 N HA 0.095 4.835 4.740 -0.000 0.000 0.199 1494 N C -0.262 175.093 175.510 -0.258 0.000 1.145 1494 N CA -0.087 52.756 53.050 -0.346 0.000 0.882 1494 N CB 0.286 38.477 38.487 -0.494 0.000 1.113 1494 N HN 0.110 nan 8.380 nan 0.000 0.486 1495 L N 3.317 124.395 121.223 -0.242 0.000 2.640 1495 L HA 0.019 4.359 4.340 -0.000 0.000 0.280 1495 L C -1.856 174.922 176.870 -0.153 0.000 1.229 1495 L CA -0.780 53.964 54.840 -0.160 0.000 0.919 1495 L CB -0.269 41.720 42.059 -0.116 0.000 1.168 1495 L HN -0.145 nan 8.230 nan 0.000 0.496 1496 P HA 0.008 nan 4.420 nan 0.000 0.270 1496 P C -0.567 176.644 177.300 -0.148 0.000 1.227 1496 P CA -0.255 62.768 63.100 -0.129 0.000 0.788 1496 P CB 0.546 32.179 31.700 -0.112 0.000 0.926 1497 S N -0.285 115.320 115.700 -0.160 0.000 2.672 1497 S HA 0.182 4.652 4.470 -0.000 0.000 0.276 1497 S C 1.262 175.716 174.600 -0.244 0.000 1.207 1497 S CA -0.730 57.360 58.200 -0.183 0.000 1.002 1497 S CB 0.495 63.601 63.200 -0.157 0.000 0.998 1497 S HN 0.162 nan 8.310 nan 0.000 0.542 1498 V N 2.152 121.883 119.914 -0.306 0.000 2.278 1498 V HA -0.118 4.002 4.120 -0.000 0.000 0.251 1498 V C -0.779 174.949 176.094 -0.611 0.000 1.062 1498 V CA 2.204 64.238 62.300 -0.444 0.000 1.038 1498 V CB -1.697 29.799 31.823 -0.545 0.000 0.646 1498 V HN 0.767 nan 8.190 nan 0.000 0.447 1499 P HA -0.055 nan 4.420 nan 0.000 0.216 1499 P C 1.714 178.822 177.300 -0.321 0.000 1.153 1499 P CA 1.616 64.351 63.100 -0.607 0.000 0.844 1499 P CB -0.341 31.121 31.700 -0.397 0.000 0.787 1500 G N 0.299 108.954 108.800 -0.241 0.000 2.469 1500 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.219 1500 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.219 1500 G C 1.468 176.275 174.900 -0.154 0.000 1.150 1500 G CA 0.674 45.676 45.100 -0.163 0.000 0.763 1500 G HN 0.223 nan 8.290 nan 0.000 0.561 1501 L N 0.354 121.470 121.223 -0.178 0.000 2.093 1501 L HA 0.152 4.492 4.340 -0.000 0.000 0.208 1501 L C 2.563 179.349 176.870 -0.139 0.000 1.085 1501 L CA 1.240 55.994 54.840 -0.143 0.000 0.755 1501 L CB -0.206 41.767 42.059 -0.143 0.000 0.904 1501 L HN 0.219 nan 8.230 nan 0.000 0.435 1502 L N -1.264 119.849 121.223 -0.183 0.000 2.313 1502 L HA -0.091 4.249 4.340 -0.000 0.000 0.214 1502 L C 2.214 179.013 176.870 -0.118 0.000 1.119 1502 L CA 0.698 55.443 54.840 -0.157 0.000 0.809 1502 L CB -0.497 41.435 42.059 -0.212 0.000 0.933 1502 L HN 0.215 nan 8.230 nan 0.000 0.449 1503 K N 0.060 120.389 120.400 -0.119 0.000 2.305 1503 K HA 0.065 4.385 4.320 -0.000 0.000 0.199 1503 K C 1.981 178.542 176.600 -0.066 0.000 1.047 1503 K CA 0.663 56.900 56.287 -0.083 0.000 0.976 1503 K CB 0.305 32.758 32.500 -0.079 0.000 0.765 1503 K HN 0.253 nan 8.250 nan 0.000 0.474 1504 I N 0.624 121.150 120.570 -0.073 0.000 2.339 1504 I HA -0.144 4.026 4.170 -0.000 0.000 0.245 1504 I C 1.079 177.165 176.117 -0.051 0.000 1.096 1504 I CA 1.054 62.319 61.300 -0.057 0.000 1.408 1504 I CB 0.197 38.161 38.000 -0.060 0.000 1.092 1504 I HN -0.009 nan 8.210 nan 0.000 0.423 1505 T N 1.365 115.884 114.554 -0.059 0.000 3.434 1505 T HA 0.125 4.475 4.350 -0.000 0.000 0.249 1505 T C 1.132 175.805 174.700 -0.046 0.000 1.050 1505 T CA 0.490 62.560 62.100 -0.050 0.000 0.952 1505 T CB -0.753 68.081 68.868 -0.056 0.000 1.046 1505 T HN 0.593 nan 8.240 nan 0.000 0.590 1506 G N 1.490 110.264 108.800 -0.043 0.000 2.467 1506 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.302 1506 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.302 1506 G C 0.130 175.009 174.900 -0.036 0.000 0.930 1506 G CA 0.027 45.105 45.100 -0.036 0.000 1.008 1506 G HN 0.545 nan 8.290 nan 0.000 0.512 1507 V N 0.748 120.634 119.914 -0.047 0.000 2.275 1507 V HA 0.622 4.742 4.120 -0.000 0.000 0.272 1507 V C 0.776 176.843 176.094 -0.045 0.000 1.028 1507 V CA 0.448 62.721 62.300 -0.045 0.000 0.810 1507 V CB 1.078 32.868 31.823 -0.055 0.000 1.043 1507 V HN 0.989 nan 8.190 nan 0.000 0.453 1508 S N 1.280 116.965 115.700 -0.026 0.000 2.506 1508 S HA 0.007 4.477 4.470 -0.000 0.000 0.255 1508 S C 0.542 175.140 174.600 -0.003 0.000 0.976 1508 S CA -0.032 58.160 58.200 -0.013 0.000 1.493 1508 S CB 0.356 63.547 63.200 -0.014 0.000 1.241 1508 S HN 0.467 nan 8.310 nan 0.000 0.655 1509 T N 3.364 117.913 114.554 -0.007 0.000 3.379 1509 T HA 0.714 5.064 4.350 -0.000 0.000 0.274 1509 T C -0.286 174.412 174.700 -0.003 0.000 1.555 1509 T CA 0.367 62.465 62.100 -0.004 0.000 1.297 1509 T CB -0.082 68.783 68.868 -0.006 0.000 1.132 1509 T HN 0.779 nan 8.240 nan 0.000 0.722 1510 S N -0.488 115.213 115.700 0.001 0.000 2.636 1510 S HA 0.568 5.038 4.470 -0.000 0.000 0.266 1510 S C -1.432 173.172 174.600 0.007 0.000 1.147 1510 S CA -0.899 57.302 58.200 0.001 0.000 0.815 1510 S CB 1.216 64.414 63.200 -0.003 0.000 1.119 1510 S HN 0.043 nan 8.310 nan 0.000 0.470 1511 V N 1.640 121.558 119.914 0.006 0.000 2.284 1511 V HA 0.757 4.877 4.120 -0.000 0.000 0.274 1511 V C 0.759 176.859 176.094 0.010 0.000 1.023 1511 V CA 0.064 62.370 62.300 0.010 0.000 0.808 1511 V CB 0.149 31.977 31.823 0.008 0.000 1.035 1511 V HN 1.207 nan 8.190 nan 0.000 0.445 1512 A N 0.000 122.829 122.820 0.016 0.000 2.254 1512 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 1512 A CA 0.000 52.047 52.037 0.016 0.000 0.836 1512 A CB 0.000 19.013 19.000 0.022 0.000 0.831 1512 A HN 0.000 nan 8.150 nan 0.000 0.486