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 1f20_1_A DATA FIRST_RESID 963 DATA SEQUENCE SWKRNKFRLT YVAEAPDLTQ GLSNVHKKRV SAARLLSRQN LQSPKSSRST DATA SEQUENCE IFVRLHTNGN QELQYQPGDH LGVFPGNHED LVNALIERLE DAPPANHVVK DATA SEQUENCE VEMLEERNTA LGVISNWKDE SRLPPCTIFQ AFKYYLDITT PPTPLQLQQF DATA SEQUENCE ASLATNEKEK QRLLVLSKGL QEYEEWKWGK NPTMVEVLEE FPSIQMPATL DATA SEQUENCE LLTQLSLLQP RYYSISSSPD MYPDEVHLTV AIVSYHTRDG EGPVHHGVCS DATA SEQUENCE SWLNRIQADD VVPCFVRGAP SFHLPRNPQV PCILVGPGTG IAPFRSFWQQ DATA SEQUENCE RQFDIQHKGM NPCPMVLVFG CRQSKIDHIY REETLQAKNK GVFRELYTAY DATA SEQUENCE SREPDRPKKY VQDVLQEQLA ESVYRALKEQ GGHIYVCGDV TMAADVLKAI DATA SEQUENCE QRIMTQQGKL SEEDAGVFIS RLRDDNRYHE DIFGV 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 963 S HA 0.000 nan 4.470 nan 0.000 0.327 963 S C 0.000 174.825 174.600 0.376 0.000 1.055 963 S CA 0.000 58.336 58.200 0.227 0.000 1.107 963 S CB 0.000 63.290 63.200 0.150 0.000 0.593 964 W N 3.497 124.909 121.300 0.187 0.000 2.761 964 W HA 0.776 5.436 4.660 -0.001 0.000 0.340 964 W C -1.068 175.563 176.519 0.187 0.000 1.072 964 W CA -0.440 57.070 57.345 0.275 0.000 1.215 964 W CB 1.140 30.715 29.460 0.191 0.000 1.420 964 W HN 0.846 nan 8.180 nan 0.000 0.519 965 K N 3.282 123.235 120.400 -0.745 0.000 2.551 965 K HA 0.623 4.942 4.320 -0.001 0.000 0.269 965 K C -0.993 174.769 176.600 -1.397 0.000 0.949 965 K CA -1.313 54.463 56.287 -0.851 0.000 0.849 965 K CB 1.496 33.789 32.500 -0.345 0.000 1.411 965 K HN 0.359 nan 8.250 nan 0.000 0.432 966 R N 1.399 121.335 120.500 -0.940 0.000 2.756 966 R HA 0.054 4.393 4.340 -0.001 0.000 0.264 966 R C 0.037 176.144 176.300 -0.322 0.000 1.026 966 R CA 0.546 56.337 56.100 -0.515 0.000 1.121 966 R CB -0.322 29.898 30.300 -0.134 0.000 0.999 966 R HN 0.894 nan 8.270 nan 0.000 0.449 967 N N 0.406 119.031 118.700 -0.124 0.000 2.708 967 N HA -0.263 4.476 4.740 -0.001 0.000 0.249 967 N C 0.298 175.752 175.510 -0.093 0.000 1.097 967 N CA 1.534 54.575 53.050 -0.014 0.000 0.710 967 N CB -0.570 37.908 38.487 -0.016 0.000 1.032 967 N HN 0.681 nan 8.380 nan 0.000 0.551 968 K N -0.821 119.452 120.400 -0.213 0.000 2.387 968 K HA 0.188 4.508 4.320 -0.001 0.000 0.197 968 K C -0.240 176.074 176.600 -0.476 0.000 1.127 968 K CA 0.384 56.384 56.287 -0.479 0.000 0.950 968 K CB 0.573 32.671 32.500 -0.669 0.000 1.017 968 K HN 0.034 nan 8.250 nan 0.000 0.519 969 F N 1.340 121.378 119.950 0.147 0.000 2.577 969 F HA 0.484 5.010 4.527 -0.001 0.000 0.318 969 F C -0.332 175.636 175.800 0.280 0.000 1.065 969 F CA -1.042 57.144 58.000 0.309 0.000 0.929 969 F CB 1.804 40.962 39.000 0.262 0.000 1.237 969 F HN -0.111 nan 8.300 nan 0.000 0.468 970 R N 1.632 122.346 120.500 0.358 0.000 2.707 970 R HA 0.755 5.094 4.340 -0.001 0.000 0.272 970 R C -2.381 173.911 176.300 -0.013 0.000 1.011 970 R CA -0.972 55.150 56.100 0.037 0.000 0.893 970 R CB 1.624 31.718 30.300 -0.345 0.000 1.233 970 R HN 0.674 nan 8.270 nan 0.000 0.464 971 L N 1.497 122.667 121.223 -0.089 0.000 2.309 971 L HA 0.530 4.869 4.340 -0.001 0.000 0.282 971 L C -0.501 176.212 176.870 -0.262 0.000 1.036 971 L CA -0.760 53.993 54.840 -0.146 0.000 0.806 971 L CB 2.191 44.156 42.059 -0.156 0.000 1.220 971 L HN 0.736 nan 8.230 nan 0.000 0.429 972 T N 1.103 115.513 114.554 -0.241 0.000 2.879 972 T HA 0.417 4.766 4.350 -0.001 0.000 0.290 972 T C -0.606 173.976 174.700 -0.196 0.000 0.993 972 T CA -0.525 61.427 62.100 -0.247 0.000 0.975 972 T CB 0.801 69.580 68.868 -0.147 0.000 0.981 972 T HN 0.142 nan 8.240 nan 0.000 0.439 973 Y N 2.086 122.361 120.300 -0.041 0.000 2.497 973 Y HA 0.405 4.954 4.550 -0.002 0.000 0.334 973 Y C 0.865 176.748 175.900 -0.030 0.000 1.199 973 Y CA -0.349 57.732 58.100 -0.032 0.000 1.425 973 Y CB 0.496 38.922 38.460 -0.057 0.000 1.291 973 Y HN 0.428 nan 8.280 nan 0.000 0.562 974 V N -0.895 119.109 119.914 0.150 0.000 2.971 974 V HA 0.761 4.880 4.120 -0.001 0.000 0.309 974 V C -0.025 176.110 176.094 0.067 0.000 1.130 974 V CA -0.628 61.717 62.300 0.076 0.000 0.964 974 V CB 1.481 33.328 31.823 0.039 0.000 1.029 974 V HN 0.812 nan 8.190 nan 0.000 0.427 975 A N 1.178 124.022 122.820 0.040 0.000 2.021 975 A HA 0.307 4.626 4.320 -0.001 0.000 0.216 975 A C 0.856 178.457 177.584 0.029 0.000 1.163 975 A CA 0.660 52.715 52.037 0.031 0.000 0.676 975 A CB -0.235 18.773 19.000 0.015 0.000 0.818 975 A HN 0.864 nan 8.150 nan 0.000 0.453 976 E N -0.348 119.867 120.200 0.024 0.000 2.204 976 E HA 0.685 5.034 4.350 -0.001 0.000 0.276 976 E C -0.704 175.908 176.600 0.020 0.000 0.974 976 E CA -0.120 56.291 56.400 0.019 0.000 0.815 976 E CB 1.645 31.352 29.700 0.012 0.000 1.119 976 E HN 0.344 nan 8.360 nan 0.000 0.393 977 A N 3.165 125.997 122.820 0.020 0.000 2.540 977 A HA 0.559 4.878 4.320 -0.001 0.000 0.297 977 A C -2.576 175.020 177.584 0.019 0.000 1.056 977 A CA -1.117 50.931 52.037 0.018 0.000 0.700 977 A CB 1.041 20.062 19.000 0.035 0.000 1.280 977 A HN 0.471 nan 8.150 nan 0.000 0.398 978 P HA 0.440 nan 4.420 nan 0.000 0.276 978 P C -0.923 176.393 177.300 0.027 0.000 1.252 978 P CA -0.152 62.957 63.100 0.014 0.000 0.802 978 P CB 0.637 32.340 31.700 0.004 0.000 1.035 979 D N 0.306 120.716 120.400 0.017 0.000 2.384 979 D HA -0.056 4.583 4.640 -0.001 0.000 0.244 979 D C 1.237 177.539 176.300 0.002 0.000 1.251 979 D CA -0.594 53.412 54.000 0.010 0.000 0.961 979 D CB 0.063 40.863 40.800 -0.001 0.000 1.116 979 D HN 0.121 nan 8.370 nan 0.000 0.484 980 L N 0.257 121.448 121.223 -0.052 0.000 1.989 980 L HA -0.185 4.155 4.340 -0.001 0.000 0.211 980 L C 2.366 179.173 176.870 -0.105 0.000 1.071 980 L CA 3.059 57.822 54.840 -0.130 0.000 0.749 980 L CB -1.583 40.272 42.059 -0.340 0.000 0.890 980 L HN 0.805 nan 8.230 nan 0.000 0.431 981 T N -3.564 110.941 114.554 -0.081 0.000 2.833 981 T HA -0.250 4.099 4.350 -0.001 0.000 0.269 981 T C 1.824 176.506 174.700 -0.029 0.000 1.054 981 T CA 1.427 63.493 62.100 -0.055 0.000 1.135 981 T CB -0.408 68.453 68.868 -0.011 0.000 0.869 981 T HN 0.398 nan 8.240 nan 0.000 0.466 982 Q N 1.629 121.424 119.800 -0.010 0.000 2.096 982 Q HA 0.214 4.553 4.340 -0.001 0.000 0.197 982 Q C 2.512 178.515 176.000 0.005 0.000 0.964 982 Q CA 1.869 57.671 55.803 -0.000 0.000 0.838 982 Q CB -1.118 27.622 28.738 0.003 0.000 0.906 982 Q HN 0.595 nan 8.270 nan 0.000 0.444 983 G N 0.489 109.313 108.800 0.039 0.000 2.418 983 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.217 983 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.217 983 G C 1.339 176.315 174.900 0.126 0.000 1.158 983 G CA 0.895 46.044 45.100 0.083 0.000 0.771 983 G HN 0.375 nan 8.290 nan 0.000 0.545 984 L N 0.682 121.961 121.223 0.093 0.000 2.056 984 L HA -0.067 4.273 4.340 -0.001 0.000 0.207 984 L C 3.214 180.073 176.870 -0.018 0.000 1.078 984 L CA 1.125 55.952 54.840 -0.022 0.000 0.749 984 L CB -0.373 41.410 42.059 -0.460 0.000 0.901 984 L HN 0.174 nan 8.230 nan 0.000 0.433 985 S N 0.121 115.799 115.700 -0.037 0.000 2.359 985 S HA -0.157 4.312 4.470 -0.001 0.000 0.224 985 S C 1.719 176.310 174.600 -0.016 0.000 1.035 985 S CA 1.450 59.640 58.200 -0.017 0.000 1.018 985 S CB -0.368 62.826 63.200 -0.009 0.000 0.876 985 S HN 0.457 nan 8.310 nan 0.000 0.448 986 N N 1.311 119.993 118.700 -0.029 0.000 2.084 986 N HA -0.046 4.693 4.740 -0.001 0.000 0.190 986 N C 1.785 177.243 175.510 -0.086 0.000 1.030 986 N CA 0.975 53.996 53.050 -0.049 0.000 0.849 986 N CB -0.878 37.575 38.487 -0.056 0.000 1.012 986 N HN 0.213 nan 8.380 nan 0.000 0.423 987 V N 1.270 121.102 119.914 -0.137 0.000 2.343 987 V HA -0.182 3.938 4.120 -0.001 0.000 0.247 987 V C 1.635 177.512 176.094 -0.362 0.000 1.051 987 V CA 1.496 63.630 62.300 -0.276 0.000 1.036 987 V CB -0.538 31.060 31.823 -0.375 0.000 0.654 987 V HN 0.443 nan 8.190 nan 0.000 0.451 988 H N -0.505 118.551 119.070 -0.023 0.000 2.539 988 H HA 0.167 4.722 4.556 -0.001 0.000 0.269 988 H C 0.709 176.025 175.328 -0.020 0.000 0.980 988 H CA 0.043 56.094 56.048 0.006 0.000 1.152 988 H CB 0.254 30.045 29.762 0.048 0.000 1.407 988 H HN 0.266 nan 8.280 nan 0.000 0.564 989 K N 0.959 121.374 120.400 0.025 0.000 3.096 989 K HA -0.210 4.109 4.320 -0.001 0.000 0.266 989 K C -0.352 176.246 176.600 -0.003 0.000 1.043 989 K CA 0.660 56.951 56.287 0.007 0.000 0.758 989 K CB -1.403 31.103 32.500 0.009 0.000 1.260 989 K HN 0.715 nan 8.250 nan 0.000 0.481 990 K N -2.486 117.902 120.400 -0.020 0.000 2.575 990 K HA 0.600 4.919 4.320 -0.001 0.000 0.279 990 K C -0.979 175.589 176.600 -0.053 0.000 0.969 990 K CA -1.446 54.800 56.287 -0.068 0.000 0.868 990 K CB 1.297 33.678 32.500 -0.198 0.000 1.457 990 K HN -0.079 nan 8.250 nan 0.000 0.426 991 R N 1.533 122.016 120.500 -0.028 0.000 2.291 991 R HA 0.218 4.558 4.340 -0.001 0.000 0.333 991 R C -1.188 175.148 176.300 0.060 0.000 1.082 991 R CA -0.216 55.897 56.100 0.021 0.000 0.948 991 R CB 0.240 30.569 30.300 0.048 0.000 1.009 991 R HN 0.512 nan 8.270 nan 0.000 0.460 992 V N 4.206 124.161 119.914 0.069 0.000 2.439 992 V HA 0.418 4.537 4.120 -0.001 0.000 0.282 992 V C -0.010 176.163 176.094 0.133 0.000 1.039 992 V CA -0.444 61.950 62.300 0.157 0.000 0.913 992 V CB 1.735 33.612 31.823 0.090 0.000 0.983 992 V HN 0.854 nan 8.190 nan 0.000 0.460 993 S N 2.462 118.266 115.700 0.174 0.000 2.664 993 S HA 0.798 5.268 4.470 -0.001 0.000 0.304 993 S C -0.011 174.656 174.600 0.112 0.000 1.099 993 S CA -0.505 57.770 58.200 0.125 0.000 1.003 993 S CB 1.837 65.114 63.200 0.129 0.000 1.092 993 S HN 1.021 nan 8.310 nan 0.000 0.525 994 A N 1.212 124.083 122.820 0.084 0.000 2.253 994 A HA 0.740 5.059 4.320 -0.001 0.000 0.316 994 A C 0.112 177.745 177.584 0.082 0.000 1.327 994 A CA -0.560 51.521 52.037 0.074 0.000 0.917 994 A CB -0.200 18.829 19.000 0.048 0.000 1.162 994 A HN 0.944 nan 8.150 nan 0.000 0.535 995 A N 3.277 126.149 122.820 0.087 0.000 2.269 995 A HA 0.887 5.206 4.320 -0.001 0.000 0.327 995 A C 0.203 177.826 177.584 0.066 0.000 1.112 995 A CA -0.774 51.314 52.037 0.085 0.000 0.865 995 A CB 0.901 19.942 19.000 0.068 0.000 1.227 995 A HN 0.816 nan 8.150 nan 0.000 0.498 996 R N -0.313 120.227 120.500 0.066 0.000 2.621 996 R HA 0.448 4.787 4.340 -0.001 0.000 0.292 996 R C -1.426 174.870 176.300 -0.008 0.000 0.969 996 R CA -0.873 55.241 56.100 0.023 0.000 0.887 996 R CB 1.863 32.169 30.300 0.010 0.000 1.180 996 R HN 0.585 nan 8.270 nan 0.000 0.450 997 L N 3.604 124.786 121.223 -0.068 0.000 2.410 997 L HA 0.131 4.470 4.340 -0.001 0.000 0.273 997 L C 0.199 177.013 176.870 -0.093 0.000 1.144 997 L CA 0.546 55.314 54.840 -0.119 0.000 0.863 997 L CB 0.447 42.394 42.059 -0.186 0.000 1.140 997 L HN 0.743 nan 8.230 nan 0.000 0.463 998 L N 3.204 124.369 121.223 -0.096 0.000 2.269 998 L HA 0.278 4.617 4.340 -0.001 0.000 0.200 998 L C 0.619 177.423 176.870 -0.110 0.000 1.069 998 L CA 0.723 55.521 54.840 -0.069 0.000 0.804 998 L CB -0.078 41.965 42.059 -0.028 0.000 0.987 998 L HN 0.869 nan 8.230 nan 0.000 0.468 999 S N -1.110 114.481 115.700 -0.183 0.000 2.587 999 S HA 0.556 5.025 4.470 -0.001 0.000 0.269 999 S C -0.982 173.451 174.600 -0.277 0.000 1.154 999 S CA -0.954 57.133 58.200 -0.189 0.000 0.824 999 S CB 2.701 65.816 63.200 -0.143 0.000 1.118 999 S HN 0.161 nan 8.310 nan 0.000 0.462 1000 R N 0.554 120.930 120.500 -0.207 0.000 2.651 1000 R HA 0.590 4.930 4.340 -0.001 0.000 0.278 1000 R C -1.807 174.439 176.300 -0.090 0.000 1.010 1000 R CA -0.448 55.529 56.100 -0.205 0.000 0.896 1000 R CB 1.624 31.811 30.300 -0.187 0.000 1.211 1000 R HN 0.784 nan 8.270 nan 0.000 0.456 1001 Q N 2.061 121.852 119.800 -0.014 0.000 2.345 1001 Q HA 0.337 4.676 4.340 -0.001 0.000 0.275 1001 Q C -1.284 174.754 176.000 0.063 0.000 1.063 1001 Q CA -1.069 54.774 55.803 0.066 0.000 0.819 1001 Q CB 2.369 31.218 28.738 0.185 0.000 1.356 1001 Q HN 0.580 nan 8.270 nan 0.000 0.418 1002 N N 1.549 120.266 118.700 0.029 0.000 2.514 1002 N HA 0.260 4.999 4.740 -0.001 0.000 0.277 1002 N C 0.675 176.189 175.510 0.007 0.000 1.126 1002 N CA 0.008 53.066 53.050 0.014 0.000 0.978 1002 N CB 0.948 39.437 38.487 0.004 0.000 1.106 1002 N HN 0.481 nan 8.380 nan 0.000 0.461 1003 L N 0.536 121.749 121.223 -0.017 0.000 2.556 1003 L HA 0.168 4.508 4.340 -0.001 0.000 0.226 1003 L C 0.791 177.638 176.870 -0.039 0.000 1.089 1003 L CA 0.365 55.160 54.840 -0.074 0.000 0.864 1003 L CB 0.093 42.040 42.059 -0.188 0.000 1.067 1003 L HN 0.378 nan 8.230 nan 0.000 0.477 1004 Q N -0.104 119.695 119.800 -0.002 0.000 2.180 1004 Q HA 0.252 4.592 4.340 -0.001 0.000 0.241 1004 Q C 0.043 176.055 176.000 0.020 0.000 0.970 1004 Q CA -0.400 55.417 55.803 0.024 0.000 0.919 1004 Q CB 1.895 30.657 28.738 0.040 0.000 1.222 1004 Q HN 0.010 nan 8.270 nan 0.000 0.482 1005 S N 1.185 116.902 115.700 0.028 0.000 2.568 1005 S HA 0.052 4.521 4.470 -0.001 0.000 0.282 1005 S C -1.437 173.174 174.600 0.018 0.000 1.338 1005 S CA -1.196 57.017 58.200 0.020 0.000 1.045 1005 S CB 0.368 63.581 63.200 0.021 0.000 0.873 1005 S HN 0.435 nan 8.310 nan 0.000 0.516 1006 P HA -0.124 nan 4.420 nan 0.000 0.222 1006 P C 0.608 177.917 177.300 0.015 0.000 1.147 1006 P CA 1.116 64.223 63.100 0.012 0.000 0.790 1006 P CB -0.129 31.576 31.700 0.008 0.000 0.780 1007 K N -0.688 119.721 120.400 0.015 0.000 2.487 1007 K HA 0.124 4.444 4.320 -0.001 0.000 0.192 1007 K C 1.006 177.619 176.600 0.021 0.000 1.027 1007 K CA -0.148 56.148 56.287 0.016 0.000 1.054 1007 K CB -0.154 32.353 32.500 0.012 0.000 0.824 1007 K HN -0.116 nan 8.250 nan 0.000 0.510 1008 S N 1.278 116.994 115.700 0.026 0.000 2.585 1008 S HA 0.020 4.490 4.470 -0.001 0.000 0.273 1008 S C 1.049 175.671 174.600 0.037 0.000 1.339 1008 S CA -0.264 57.956 58.200 0.033 0.000 1.028 1008 S CB 1.056 64.280 63.200 0.039 0.000 0.906 1008 S HN 0.464 nan 8.310 nan 0.000 0.528 1009 S N 3.822 119.547 115.700 0.042 0.000 2.528 1009 S HA 0.255 4.725 4.470 -0.001 0.000 0.219 1009 S C 0.652 175.285 174.600 0.056 0.000 0.985 1009 S CA -0.242 57.987 58.200 0.049 0.000 0.914 1009 S CB -0.065 63.165 63.200 0.051 0.000 0.776 1009 S HN 0.702 nan 8.310 nan 0.000 0.526 1010 R N 0.142 120.675 120.500 0.055 0.000 2.939 1010 R HA 0.760 5.099 4.340 -0.001 0.000 0.254 1010 R C -1.057 175.276 176.300 0.054 0.000 1.123 1010 R CA -0.611 55.525 56.100 0.061 0.000 1.020 1010 R CB 1.638 31.979 30.300 0.067 0.000 1.206 1010 R HN 0.163 nan 8.270 nan 0.000 0.491 1011 S N -0.328 115.406 115.700 0.057 0.000 2.546 1011 S HA 0.538 5.007 4.470 -0.001 0.000 0.274 1011 S C -1.463 173.167 174.600 0.051 0.000 1.121 1011 S CA -0.455 57.772 58.200 0.045 0.000 0.887 1011 S CB 2.041 65.260 63.200 0.031 0.000 1.094 1011 S HN 0.481 nan 8.310 nan 0.000 0.474 1012 T N 4.209 118.787 114.554 0.040 0.000 2.928 1012 T HA 0.538 4.887 4.350 -0.001 0.000 0.296 1012 T C -0.448 174.266 174.700 0.024 0.000 1.000 1012 T CA -0.523 61.604 62.100 0.045 0.000 0.989 1012 T CB 0.701 69.602 68.868 0.055 0.000 1.005 1012 T HN 0.704 nan 8.240 nan 0.000 0.442 1013 I N -0.014 120.570 120.570 0.024 0.000 2.562 1013 I HA 0.812 4.981 4.170 -0.001 0.000 0.301 1013 I C -0.969 175.195 176.117 0.079 0.000 1.003 1013 I CA -1.196 60.117 61.300 0.021 0.000 1.127 1013 I CB 1.493 39.471 38.000 -0.036 0.000 1.304 1013 I HN 0.479 nan 8.210 nan 0.000 0.446 1014 F N 6.258 126.168 119.950 -0.066 0.000 2.385 1014 F HA 0.683 5.209 4.527 -0.001 0.000 0.360 1014 F C -1.092 174.644 175.800 -0.106 0.000 1.122 1014 F CA -0.852 57.126 58.000 -0.037 0.000 1.090 1014 F CB 1.222 40.225 39.000 0.005 0.000 1.150 1014 F HN 0.259 nan 8.300 nan 0.000 0.472 1015 V N 7.458 127.031 119.914 -0.568 0.000 2.495 1015 V HA 0.531 4.650 4.120 -0.001 0.000 0.298 1015 V C -0.315 175.289 176.094 -0.817 0.000 1.031 1015 V CA -0.840 61.081 62.300 -0.633 0.000 0.871 1015 V CB 1.814 33.410 31.823 -0.379 0.000 0.988 1015 V HN 0.664 nan 8.190 nan 0.000 0.432 1016 R N 4.740 124.777 120.500 -0.771 0.000 2.343 1016 R HA 0.726 5.066 4.340 -0.001 0.000 0.320 1016 R C -1.297 174.846 176.300 -0.261 0.000 0.956 1016 R CA -0.500 55.243 56.100 -0.594 0.000 0.836 1016 R CB 1.536 31.447 30.300 -0.649 0.000 1.151 1016 R HN 0.584 nan 8.270 nan 0.000 0.450 1017 L N 2.167 123.319 121.223 -0.117 0.000 2.342 1017 L HA 0.460 4.800 4.340 -0.001 0.000 0.271 1017 L C -0.135 176.760 176.870 0.041 0.000 1.008 1017 L CA -1.019 53.793 54.840 -0.046 0.000 0.818 1017 L CB 1.799 43.823 42.059 -0.058 0.000 1.296 1017 L HN 0.479 nan 8.230 nan 0.000 0.427 1018 H N 0.776 119.842 119.070 -0.008 0.000 2.457 1018 H HA 0.183 4.738 4.556 -0.001 0.000 0.335 1018 H C 0.307 175.653 175.328 0.031 0.000 1.115 1018 H CA -0.123 55.940 56.048 0.025 0.000 1.219 1018 H CB 2.166 31.938 29.762 0.017 0.000 1.471 1018 H HN 0.771 nan 8.280 nan 0.000 0.491 1019 T N 0.450 115.010 114.554 0.010 0.000 3.129 1019 T HA -0.042 4.307 4.350 -0.001 0.000 0.251 1019 T C 0.472 175.294 174.700 0.203 0.000 1.117 1019 T CA 0.045 62.204 62.100 0.098 0.000 1.034 1019 T CB -0.098 68.791 68.868 0.036 0.000 0.968 1019 T HN 0.734 nan 8.240 nan 0.000 0.526 1020 N N 1.142 120.135 118.700 0.488 0.000 2.714 1020 N HA -0.183 4.557 4.740 -0.001 0.000 0.250 1020 N C 1.056 176.686 175.510 0.199 0.000 1.117 1020 N CA 1.099 54.330 53.050 0.301 0.000 0.719 1020 N CB -1.741 36.830 38.487 0.140 0.000 1.081 1020 N HN 0.969 nan 8.380 nan 0.000 0.557 1021 G N -0.266 108.644 108.800 0.182 0.000 2.187 1021 G HA2 -0.388 3.571 3.960 -0.001 0.000 0.261 1021 G HA3 -0.388 3.571 3.960 -0.001 0.000 0.261 1021 G C 0.084 175.025 174.900 0.068 0.000 1.000 1021 G CA 0.512 45.669 45.100 0.095 0.000 0.718 1021 G HN 0.621 nan 8.290 nan 0.000 0.519 1022 N N 0.232 118.978 118.700 0.077 0.000 2.416 1022 N HA 0.229 4.968 4.740 -0.001 0.000 0.265 1022 N C 1.477 177.023 175.510 0.061 0.000 1.195 1022 N CA 0.008 53.099 53.050 0.069 0.000 0.943 1022 N CB 0.787 39.323 38.487 0.081 0.000 1.115 1022 N HN 0.314 nan 8.380 nan 0.000 0.481 1023 Q N 2.197 122.026 119.800 0.049 0.000 2.291 1023 Q HA -0.088 4.252 4.340 -0.001 0.000 0.206 1023 Q C 0.856 176.891 176.000 0.059 0.000 0.976 1023 Q CA 1.329 57.156 55.803 0.041 0.000 0.875 1023 Q CB 0.163 28.919 28.738 0.031 0.000 0.927 1023 Q HN 0.672 nan 8.270 nan 0.000 0.450 1024 E N -0.623 119.621 120.200 0.073 0.000 2.409 1024 E HA -0.092 4.257 4.350 -0.001 0.000 0.198 1024 E C 0.548 177.222 176.600 0.122 0.000 1.024 1024 E CA 0.417 56.873 56.400 0.094 0.000 0.861 1024 E CB 0.111 29.869 29.700 0.097 0.000 0.788 1024 E HN 0.381 nan 8.360 nan 0.000 0.521 1025 L N 1.413 122.708 121.223 0.119 0.000 2.728 1025 L HA 0.106 4.446 4.340 -0.001 0.000 0.235 1025 L C 0.462 177.449 176.870 0.196 0.000 1.197 1025 L CA -0.168 54.764 54.840 0.152 0.000 0.992 1025 L CB 0.066 42.204 42.059 0.132 0.000 1.263 1025 L HN -0.032 nan 8.230 nan 0.000 0.484 1026 Q N 0.858 120.735 119.800 0.128 0.000 2.392 1026 Q HA 0.240 4.579 4.340 -0.001 0.000 0.262 1026 Q C -1.050 175.044 176.000 0.157 0.000 1.003 1026 Q CA 0.421 56.263 55.803 0.064 0.000 0.888 1026 Q CB 0.858 29.599 28.738 0.004 0.000 1.260 1026 Q HN 0.249 nan 8.270 nan 0.000 0.435 1027 Y N -1.899 118.389 120.300 -0.020 0.000 2.689 1027 Y HA 0.489 5.038 4.550 -0.002 0.000 0.333 1027 Y C -1.451 174.411 175.900 -0.064 0.000 1.208 1027 Y CA -1.248 56.842 58.100 -0.015 0.000 1.055 1027 Y CB 1.308 39.764 38.460 -0.008 0.000 1.304 1027 Y HN 0.456 nan 8.280 nan 0.000 0.455 1028 Q N 1.353 121.211 119.800 0.097 0.000 2.387 1028 Q HA 0.507 4.846 4.340 -0.001 0.000 0.273 1028 Q C -2.922 173.141 176.000 0.105 0.000 1.089 1028 Q CA -2.520 53.222 55.803 -0.101 0.000 0.824 1028 Q CB 2.606 31.108 28.738 -0.394 0.000 1.367 1028 Q HN 0.402 nan 8.270 nan 0.000 0.443 1029 P HA -0.050 nan 4.420 nan 0.000 0.262 1029 P C 0.440 177.999 177.300 0.432 0.000 1.182 1029 P CA 1.311 64.559 63.100 0.247 0.000 0.761 1029 P CB 0.371 32.197 31.700 0.209 0.000 0.795 1030 G N 1.941 110.989 108.800 0.412 0.000 2.259 1030 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.217 1030 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.217 1030 G C 0.118 175.108 174.900 0.151 0.000 1.001 1030 G CA -0.343 45.046 45.100 0.483 0.000 0.627 1030 G HN 0.480 nan 8.290 nan 0.000 0.501 1031 D N 0.644 121.133 120.400 0.149 0.000 2.371 1031 D HA 0.558 5.197 4.640 -0.001 0.000 0.242 1031 D C 0.531 176.678 176.300 -0.254 0.000 1.218 1031 D CA 0.263 54.268 54.000 0.009 0.000 0.945 1031 D CB 0.369 41.280 40.800 0.185 0.000 1.137 1031 D HN 0.552 nan 8.370 nan 0.000 0.464 1032 H N -1.110 117.978 119.070 0.030 0.000 2.710 1032 H HA 0.596 5.151 4.556 -0.001 0.000 0.361 1032 H C -0.792 174.499 175.328 -0.062 0.000 1.175 1032 H CA -0.958 55.072 56.048 -0.029 0.000 1.206 1032 H CB 1.780 31.530 29.762 -0.021 0.000 1.750 1032 H HN 0.061 nan 8.280 nan 0.000 0.553 1033 L N 1.186 122.427 121.223 0.029 0.000 2.349 1033 L HA 0.545 4.884 4.340 -0.001 0.000 0.278 1033 L C -0.025 176.639 176.870 -0.343 0.000 0.996 1033 L CA -0.230 54.510 54.840 -0.166 0.000 0.825 1033 L CB 1.253 43.215 42.059 -0.161 0.000 1.243 1033 L HN 0.781 nan 8.230 nan 0.000 0.412 1034 G N 4.466 112.726 108.800 -0.899 0.000 2.353 1034 G HA2 0.544 4.503 3.960 -0.001 0.000 0.284 1034 G HA3 0.544 4.503 3.960 -0.001 0.000 0.284 1034 G C -1.187 173.157 174.900 -0.926 0.000 1.172 1034 G CA -0.310 43.922 45.100 -1.446 0.000 0.854 1034 G HN 0.476 nan 8.290 nan 0.000 0.485 1035 V N 2.673 122.200 119.914 -0.644 0.000 2.588 1035 V HA 0.412 4.531 4.120 -0.001 0.000 0.304 1035 V C -0.898 174.929 176.094 -0.445 0.000 1.042 1035 V CA -0.714 61.392 62.300 -0.325 0.000 0.877 1035 V CB 1.608 33.406 31.823 -0.043 0.000 0.996 1035 V HN 0.629 nan 8.190 nan 0.000 0.425 1036 F N 7.161 127.001 119.950 -0.184 0.000 2.371 1036 F HA 0.516 5.043 4.527 -0.001 0.000 0.363 1036 F C -1.708 173.728 175.800 -0.606 0.000 1.122 1036 F CA -1.795 56.028 58.000 -0.296 0.000 1.129 1036 F CB 1.532 40.392 39.000 -0.234 0.000 1.173 1036 F HN 0.335 nan 8.300 nan 0.000 0.489 1037 P HA 0.446 nan 4.420 nan 0.000 0.287 1037 P C -0.658 176.010 177.300 -1.053 0.000 1.296 1037 P CA -0.555 61.671 63.100 -1.457 0.000 0.811 1037 P CB 1.800 33.090 31.700 -0.684 0.000 1.211 1038 G N 0.230 108.205 108.800 -1.375 0.000 2.495 1038 G HA2 0.318 4.277 3.960 -0.001 0.000 0.318 1038 G HA3 0.318 4.277 3.960 -0.001 0.000 0.318 1038 G C -0.353 174.338 174.900 -0.348 0.000 1.257 1038 G CA -0.582 44.170 45.100 -0.580 0.000 0.962 1038 G HN 0.390 nan 8.290 nan 0.000 0.483 1039 N N 0.514 119.049 118.700 -0.276 0.000 2.415 1039 N HA 0.032 4.771 4.740 -0.001 0.000 0.248 1039 N C 0.083 175.558 175.510 -0.058 0.000 1.271 1039 N CA -0.103 52.870 53.050 -0.129 0.000 0.913 1039 N CB 0.480 38.887 38.487 -0.133 0.000 1.129 1039 N HN 0.512 nan 8.380 nan 0.000 0.444 1040 H N 1.745 120.788 119.070 -0.044 0.000 2.886 1040 H HA -0.019 4.536 4.556 -0.001 0.000 0.329 1040 H C 0.796 176.106 175.328 -0.029 0.000 1.044 1040 H CA 0.775 56.822 56.048 -0.002 0.000 1.456 1040 H CB 0.664 30.432 29.762 0.010 0.000 1.464 1040 H HN 0.584 nan 8.280 nan 0.000 0.573 1041 E N 2.893 123.153 120.200 0.100 0.000 2.118 1041 E HA -0.179 4.170 4.350 -0.001 0.000 0.195 1041 E C 1.044 177.810 176.600 0.276 0.000 0.992 1041 E CA 1.178 57.694 56.400 0.192 0.000 0.804 1041 E CB 0.284 30.117 29.700 0.223 0.000 0.741 1041 E HN 0.663 nan 8.360 nan 0.000 0.458 1042 D N 0.492 121.150 120.400 0.430 0.000 2.149 1042 D HA -0.144 4.496 4.640 -0.001 0.000 0.198 1042 D C 1.838 178.182 176.300 0.073 0.000 0.990 1042 D CA 0.783 54.892 54.000 0.182 0.000 0.839 1042 D CB -0.070 40.752 40.800 0.036 0.000 0.948 1042 D HN 0.079 nan 8.370 nan 0.000 0.460 1043 L N 0.242 121.499 121.223 0.056 0.000 2.109 1043 L HA -0.075 4.264 4.340 -0.001 0.000 0.207 1043 L C 2.497 179.337 176.870 -0.050 0.000 1.086 1043 L CA 0.775 55.599 54.840 -0.026 0.000 0.760 1043 L CB -0.898 41.136 42.059 -0.043 0.000 0.910 1043 L HN -0.056 nan 8.230 nan 0.000 0.437 1044 V N -0.253 119.639 119.914 -0.038 0.000 2.358 1044 V HA -0.278 3.841 4.120 -0.001 0.000 0.246 1044 V C 2.118 178.221 176.094 0.015 0.000 1.047 1044 V CA 1.826 64.069 62.300 -0.095 0.000 1.035 1044 V CB -0.733 30.927 31.823 -0.272 0.000 0.658 1044 V HN 0.529 nan 8.190 nan 0.000 0.452 1045 N N 0.227 118.995 118.700 0.115 0.000 2.142 1045 N HA -0.110 4.629 4.740 -0.001 0.000 0.186 1045 N C 1.935 177.480 175.510 0.058 0.000 1.023 1045 N CA 1.133 54.270 53.050 0.146 0.000 0.852 1045 N CB -0.282 38.302 38.487 0.161 0.000 0.998 1045 N HN 0.471 nan 8.380 nan 0.000 0.424 1046 A N 0.991 123.821 122.820 0.018 0.000 1.933 1046 A HA -0.101 4.218 4.320 -0.001 0.000 0.218 1046 A C 2.088 179.642 177.584 -0.050 0.000 1.175 1046 A CA 0.941 52.970 52.037 -0.014 0.000 0.628 1046 A CB -0.504 18.481 19.000 -0.026 0.000 0.814 1046 A HN 0.248 nan 8.150 nan 0.000 0.444 1047 L N -0.117 121.044 121.223 -0.103 0.000 2.072 1047 L HA -0.006 4.333 4.340 -0.001 0.000 0.205 1047 L C 2.165 178.935 176.870 -0.167 0.000 1.079 1047 L CA 1.569 56.289 54.840 -0.199 0.000 0.752 1047 L CB -0.415 41.412 42.059 -0.388 0.000 0.906 1047 L HN 0.410 nan 8.230 nan 0.000 0.436 1048 I N -0.361 120.163 120.570 -0.076 0.000 2.286 1048 I HA -0.231 3.939 4.170 -0.001 0.000 0.248 1048 I C 2.167 178.308 176.117 0.039 0.000 1.115 1048 I CA 0.912 62.243 61.300 0.053 0.000 1.392 1048 I CB -0.433 37.670 38.000 0.173 0.000 1.065 1048 I HN 0.309 nan 8.210 nan 0.000 0.418 1049 E N 0.692 120.904 120.200 0.020 0.000 2.338 1049 E HA -0.128 4.221 4.350 -0.001 0.000 0.197 1049 E C 1.669 178.270 176.600 0.001 0.000 1.007 1049 E CA 0.702 57.112 56.400 0.018 0.000 0.849 1049 E CB -0.090 29.618 29.700 0.015 0.000 0.774 1049 E HN 0.382 nan 8.360 nan 0.000 0.506 1050 R N 0.254 120.740 120.500 -0.024 0.000 2.388 1050 R HA 0.240 4.579 4.340 -0.001 0.000 0.247 1050 R C 0.467 176.742 176.300 -0.043 0.000 0.931 1050 R CA -0.127 55.952 56.100 -0.035 0.000 1.082 1050 R CB 0.031 30.299 30.300 -0.052 0.000 1.135 1050 R HN 0.125 nan 8.270 nan 0.000 0.525 1051 L N 0.562 121.774 121.223 -0.019 0.000 2.375 1051 L HA 0.160 4.500 4.340 -0.001 0.000 0.271 1051 L C 1.863 178.736 176.870 0.006 0.000 1.107 1051 L CA -0.097 54.739 54.840 -0.008 0.000 0.806 1051 L CB 1.205 43.292 42.059 0.045 0.000 1.146 1051 L HN 0.083 nan 8.230 nan 0.000 0.447 1052 E N 1.632 121.832 120.200 -0.000 0.000 2.024 1052 E HA -0.132 4.217 4.350 -0.001 0.000 0.190 1052 E C -0.116 176.505 176.600 0.036 0.000 0.974 1052 E CA 1.114 57.523 56.400 0.015 0.000 0.810 1052 E CB 0.352 30.058 29.700 0.010 0.000 0.775 1052 E HN 0.865 nan 8.360 nan 0.000 0.453 1053 D N 0.221 120.650 120.400 0.048 0.000 2.736 1053 D HA 0.419 5.058 4.640 -0.001 0.000 0.293 1053 D C -0.952 175.384 176.300 0.060 0.000 1.241 1053 D CA -0.405 53.630 54.000 0.057 0.000 0.965 1053 D CB 1.369 42.209 40.800 0.068 0.000 0.992 1053 D HN 0.214 nan 8.370 nan 0.000 0.510 1054 A N 1.826 124.685 122.820 0.066 0.000 2.292 1054 A HA 0.642 4.961 4.320 -0.001 0.000 0.319 1054 A C -2.201 175.436 177.584 0.087 0.000 1.206 1054 A CA -1.311 50.773 52.037 0.078 0.000 0.835 1054 A CB 0.520 19.581 19.000 0.102 0.000 1.164 1054 A HN 0.275 nan 8.150 nan 0.000 0.505 1055 P HA 0.313 nan 4.420 nan 0.000 0.274 1055 P C -2.474 174.928 177.300 0.169 0.000 1.256 1055 P CA -0.891 62.301 63.100 0.153 0.000 0.795 1055 P CB -0.084 31.707 31.700 0.152 0.000 1.038 1056 P HA -0.023 nan 4.420 nan 0.000 0.266 1056 P C -0.174 177.186 177.300 0.099 0.000 1.195 1056 P CA 0.258 63.435 63.100 0.128 0.000 0.768 1056 P CB 0.369 32.140 31.700 0.119 0.000 0.838 1057 A N 3.049 125.913 122.820 0.073 0.000 2.255 1057 A HA -0.091 4.228 4.320 -0.001 0.000 0.206 1057 A C 1.287 178.900 177.584 0.049 0.000 1.193 1057 A CA 0.391 52.492 52.037 0.106 0.000 0.794 1057 A CB -1.050 18.066 19.000 0.194 0.000 0.794 1057 A HN 0.680 nan 8.150 nan 0.000 0.481 1058 N N -0.729 117.903 118.700 -0.114 0.000 2.203 1058 N HA 0.007 4.746 4.740 -0.001 0.000 0.207 1058 N C -0.487 174.862 175.510 -0.268 0.000 1.130 1058 N CA -0.101 52.821 53.050 -0.214 0.000 0.861 1058 N CB -0.031 38.268 38.487 -0.314 0.000 1.005 1058 N HN 0.415 nan 8.380 nan 0.000 0.507 1059 H N 0.314 119.454 119.070 0.116 0.000 2.492 1059 H HA 0.326 4.881 4.556 -0.001 0.000 0.345 1059 H C -0.277 175.146 175.328 0.158 0.000 1.136 1059 H CA -0.804 55.329 56.048 0.143 0.000 1.202 1059 H CB 2.553 32.447 29.762 0.220 0.000 1.524 1059 H HN -0.211 nan 8.280 nan 0.000 0.506 1060 V N 4.534 124.610 119.914 0.269 0.000 2.446 1060 V HA 0.095 4.214 4.120 -0.001 0.000 0.276 1060 V C 0.692 176.885 176.094 0.165 0.000 1.030 1060 V CA -0.033 62.369 62.300 0.170 0.000 1.033 1060 V CB 0.206 32.103 31.823 0.122 0.000 0.993 1060 V HN 0.537 nan 8.190 nan 0.000 0.477 1061 V N 3.060 123.018 119.914 0.072 0.000 3.102 1061 V HA 0.860 4.980 4.120 -0.001 0.000 0.312 1061 V C -0.636 175.435 176.094 -0.039 0.000 1.135 1061 V CA -1.186 61.108 62.300 -0.009 0.000 1.022 1061 V CB 2.166 33.930 31.823 -0.098 0.000 1.056 1061 V HN 0.887 nan 8.190 nan 0.000 0.436 1062 K N 0.766 121.133 120.400 -0.055 0.000 2.395 1062 K HA 0.874 5.193 4.320 -0.001 0.000 0.247 1062 K C -1.665 174.912 176.600 -0.037 0.000 0.973 1062 K CA -0.924 55.335 56.287 -0.047 0.000 0.828 1062 K CB 2.426 34.910 32.500 -0.027 0.000 1.272 1062 K HN 0.500 nan 8.250 nan 0.000 0.439 1063 V N 1.835 121.745 119.914 -0.007 0.000 2.394 1063 V HA 0.269 4.388 4.120 -0.001 0.000 0.282 1063 V C -0.518 175.661 176.094 0.141 0.000 1.031 1063 V CA -0.580 61.757 62.300 0.061 0.000 0.881 1063 V CB 1.038 32.895 31.823 0.056 0.000 0.982 1063 V HN 0.772 nan 8.190 nan 0.000 0.451 1064 E N 5.186 125.508 120.200 0.203 0.000 2.207 1064 E HA 0.701 5.051 4.350 -0.001 0.000 0.270 1064 E C -0.666 176.236 176.600 0.502 0.000 0.927 1064 E CA -0.732 55.843 56.400 0.292 0.000 0.799 1064 E CB 2.374 32.201 29.700 0.211 0.000 1.172 1064 E HN 0.754 nan 8.360 nan 0.000 0.404 1065 M N 1.119 120.941 119.600 0.370 0.000 2.395 1065 M HA 0.423 4.902 4.480 -0.001 0.000 0.307 1065 M C -1.191 174.911 176.300 -0.330 0.000 1.091 1065 M CA -1.228 54.071 55.300 -0.003 0.000 0.919 1065 M CB 1.519 34.024 32.600 -0.157 0.000 1.662 1065 M HN 0.305 nan 8.290 nan 0.000 0.440 1066 L N 3.121 123.774 121.223 -0.950 0.000 2.433 1066 L HA 0.257 4.596 4.340 -0.001 0.000 0.284 1066 L C -0.069 176.392 176.870 -0.681 0.000 1.120 1066 L CA 0.829 54.895 54.840 -1.289 0.000 0.879 1066 L CB 0.011 41.131 42.059 -1.566 0.000 1.232 1066 L HN 0.899 nan 8.230 nan 0.000 0.454 1067 E N 5.048 124.961 120.200 -0.478 0.000 2.152 1067 E HA 0.224 4.573 4.350 -0.001 0.000 0.285 1067 E C -0.937 175.501 176.600 -0.270 0.000 1.043 1067 E CA -0.316 55.906 56.400 -0.298 0.000 0.839 1067 E CB 0.591 30.179 29.700 -0.187 0.000 1.069 1067 E HN 0.666 nan 8.360 nan 0.000 0.399 1068 E N 4.124 124.184 120.200 -0.232 0.000 2.207 1068 E HA 0.416 4.765 4.350 -0.001 0.000 0.270 1068 E C -0.573 175.948 176.600 -0.132 0.000 0.927 1068 E CA -0.964 55.324 56.400 -0.187 0.000 0.799 1068 E CB 1.859 31.444 29.700 -0.192 0.000 1.172 1068 E HN 0.505 nan 8.360 nan 0.000 0.404 1069 R N 1.542 121.978 120.500 -0.107 0.000 2.740 1069 R HA 0.400 4.739 4.340 -0.001 0.000 0.282 1069 R C 0.201 176.460 176.300 -0.068 0.000 0.969 1069 R CA -0.847 55.204 56.100 -0.080 0.000 0.918 1069 R CB 0.849 31.109 30.300 -0.067 0.000 1.175 1069 R HN 0.379 nan 8.270 nan 0.000 0.464 1070 N N 0.766 119.431 118.700 -0.058 0.000 1.486 1070 N HA -0.237 4.502 4.740 -0.001 0.000 0.158 1070 N C 0.087 175.572 175.510 -0.042 0.000 0.541 1070 N CA 2.004 55.026 53.050 -0.047 0.000 0.786 1070 N CB -0.196 38.268 38.487 -0.039 0.000 1.441 1070 N HN 0.736 nan 8.380 nan 0.000 0.606 1071 T N 0.035 114.569 114.554 -0.034 0.000 3.496 1071 T HA 0.241 4.590 4.350 -0.001 0.000 0.253 1071 T C -0.064 174.619 174.700 -0.028 0.000 1.134 1071 T CA 0.609 62.691 62.100 -0.029 0.000 0.993 1071 T CB -0.978 67.876 68.868 -0.024 0.000 1.018 1071 T HN 0.563 nan 8.240 nan 0.000 0.571 1072 A N 3.026 125.826 122.820 -0.032 0.000 2.376 1072 A HA 0.430 4.749 4.320 -0.001 0.000 0.298 1072 A C 0.875 178.440 177.584 -0.032 0.000 1.271 1072 A CA -0.801 51.218 52.037 -0.031 0.000 0.926 1072 A CB -0.246 18.733 19.000 -0.035 0.000 1.141 1072 A HN 0.452 nan 8.150 nan 0.000 0.539 1073 L N 1.897 123.103 121.223 -0.027 0.000 4.631 1073 L HA 0.169 4.508 4.340 -0.001 0.000 0.307 1073 L C 0.878 177.732 176.870 -0.026 0.000 1.515 1073 L CA 1.321 56.145 54.840 -0.025 0.000 1.093 1073 L CB -2.464 39.582 42.059 -0.021 0.000 1.475 1073 L HN 1.042 nan 8.230 nan 0.000 0.395 1074 G N -0.162 108.619 108.800 -0.031 0.000 3.302 1074 G HA2 -0.034 3.925 3.960 -0.001 0.000 0.216 1074 G HA3 -0.034 3.925 3.960 -0.001 0.000 0.216 1074 G C 0.139 175.014 174.900 -0.041 0.000 1.008 1074 G CA -0.111 44.970 45.100 -0.033 0.000 0.852 1074 G HN 0.466 nan 8.290 nan 0.000 0.485 1075 V N 1.117 121.003 119.914 -0.046 0.000 3.550 1075 V HA -0.199 3.921 4.120 -0.001 0.000 0.505 1075 V C 0.105 176.159 176.094 -0.067 0.000 0.682 1075 V CA 0.964 63.228 62.300 -0.059 0.000 2.053 1075 V CB -0.720 31.064 31.823 -0.066 0.000 2.480 1075 V HN 0.670 nan 8.190 nan 0.000 0.509 1076 I N 4.949 125.476 120.570 -0.073 0.000 2.328 1076 I HA 0.512 4.681 4.170 -0.001 0.000 0.287 1076 I C 0.588 176.638 176.117 -0.113 0.000 1.012 1076 I CA -0.057 61.196 61.300 -0.078 0.000 1.195 1076 I CB 1.796 39.759 38.000 -0.061 0.000 1.350 1076 I HN 0.830 nan 8.210 nan 0.000 0.464 1077 S N 5.711 121.329 115.700 -0.137 0.000 2.578 1077 S HA 0.535 5.004 4.470 -0.001 0.000 0.283 1077 S C -0.408 174.066 174.600 -0.209 0.000 1.195 1077 S CA -0.775 57.295 58.200 -0.217 0.000 1.050 1077 S CB 1.614 64.654 63.200 -0.266 0.000 1.012 1077 S HN 0.598 nan 8.310 nan 0.000 0.511 1078 N N 1.110 119.643 118.700 -0.277 0.000 2.455 1078 N HA 0.219 4.958 4.740 -0.001 0.000 0.285 1078 N C -1.798 173.573 175.510 -0.231 0.000 1.080 1078 N CA -0.278 52.663 53.050 -0.182 0.000 0.932 1078 N CB 1.328 39.763 38.487 -0.088 0.000 1.610 1078 N HN 0.740 nan 8.380 nan 0.000 0.493 1079 W N 2.500 123.770 121.300 -0.051 0.000 2.218 1079 W HA 0.345 5.003 4.660 -0.002 0.000 0.326 1079 W C 0.648 177.146 176.519 -0.036 0.000 1.276 1079 W CA -0.023 57.292 57.345 -0.050 0.000 1.210 1079 W CB 0.815 30.251 29.460 -0.040 0.000 1.143 1079 W HN 0.247 nan 8.180 nan 0.000 0.563 1080 K N 1.014 121.556 120.400 0.238 0.000 2.597 1080 K HA 0.210 4.529 4.320 -0.001 0.000 0.282 1080 K C -1.711 174.972 176.600 0.139 0.000 0.975 1080 K CA -1.276 55.093 56.287 0.135 0.000 0.867 1080 K CB 1.143 33.678 32.500 0.059 0.000 1.465 1080 K HN 0.139 nan 8.250 nan 0.000 0.417 1081 D N 1.982 122.438 120.400 0.094 0.000 2.458 1081 D HA -0.059 4.581 4.640 -0.001 0.000 0.243 1081 D C 0.747 177.100 176.300 0.087 0.000 1.146 1081 D CA 0.261 54.310 54.000 0.083 0.000 0.877 1081 D CB 1.305 42.131 40.800 0.043 0.000 1.176 1081 D HN 0.716 nan 8.370 nan 0.000 0.461 1082 E N 1.036 121.307 120.200 0.118 0.000 2.106 1082 E HA -0.174 4.175 4.350 -0.001 0.000 0.192 1082 E C -0.034 176.604 176.600 0.063 0.000 0.984 1082 E CA 0.744 57.223 56.400 0.132 0.000 0.806 1082 E CB 0.161 29.979 29.700 0.197 0.000 0.750 1082 E HN 0.396 nan 8.360 nan 0.000 0.458 1083 S N -0.350 115.366 115.700 0.027 0.000 3.635 1083 S HA -0.209 4.260 4.470 -0.001 0.000 0.328 1083 S C 0.711 175.289 174.600 -0.037 0.000 1.135 1083 S CA 0.871 59.064 58.200 -0.012 0.000 0.942 1083 S CB -1.145 62.053 63.200 -0.004 0.000 0.930 1083 S HN 0.381 nan 8.310 nan 0.000 0.512 1084 R N -0.042 120.432 120.500 -0.044 0.000 2.048 1084 R HA 0.257 4.596 4.340 -0.001 0.000 0.221 1084 R C 0.944 177.159 176.300 -0.142 0.000 1.174 1084 R CA 0.762 56.820 56.100 -0.071 0.000 0.971 1084 R CB -0.033 30.238 30.300 -0.049 0.000 0.863 1084 R HN 0.448 nan 8.270 nan 0.000 0.439 1085 L N 2.321 123.439 121.223 -0.174 0.000 2.416 1085 L HA 0.332 4.671 4.340 -0.001 0.000 0.262 1085 L C -1.884 174.807 176.870 -0.299 0.000 1.093 1085 L CA -2.005 52.648 54.840 -0.310 0.000 0.801 1085 L CB 0.952 42.823 42.059 -0.314 0.000 1.191 1085 L HN 0.178 nan 8.230 nan 0.000 0.459 1086 P HA 0.361 nan 4.420 nan 0.000 0.281 1086 P C -2.745 174.427 177.300 -0.213 0.000 1.281 1086 P CA -2.184 60.753 63.100 -0.271 0.000 0.811 1086 P CB 0.165 31.695 31.700 -0.284 0.000 1.154 1087 P HA 0.081 nan 4.420 nan 0.000 0.267 1087 P C -0.392 176.880 177.300 -0.048 0.000 1.209 1087 P CA 0.409 63.469 63.100 -0.066 0.000 0.763 1087 P CB -0.179 31.505 31.700 -0.027 0.000 0.816 1088 C N 0.277 119.558 119.300 -0.032 0.000 3.259 1088 C HA 0.727 5.186 4.460 -0.001 0.000 0.344 1088 C C 0.131 175.148 174.990 0.045 0.000 1.401 1088 C CA -0.676 58.360 59.018 0.030 0.000 1.219 1088 C CB 1.078 28.846 27.740 0.046 0.000 1.521 1088 C HN 0.599 nan 8.230 nan 0.000 0.455 1089 T N -0.858 113.756 114.554 0.100 0.000 2.849 1089 T HA 0.454 4.803 4.350 -0.001 0.000 0.284 1089 T C 1.103 175.835 174.700 0.052 0.000 1.004 1089 T CA -0.422 61.740 62.100 0.104 0.000 1.021 1089 T CB 0.456 69.412 68.868 0.146 0.000 1.013 1089 T HN 0.659 nan 8.240 nan 0.000 0.527 1090 I N 0.266 120.850 120.570 0.024 0.000 2.264 1090 I HA -0.057 4.112 4.170 -0.001 0.000 0.248 1090 I C 2.079 178.164 176.117 -0.053 0.000 1.111 1090 I CA 1.465 62.699 61.300 -0.110 0.000 1.382 1090 I CB -0.417 37.573 38.000 -0.018 0.000 1.060 1090 I HN 0.704 nan 8.210 nan 0.000 0.418 1091 F N 1.777 121.731 119.950 0.008 0.000 2.146 1091 F HA -0.242 4.284 4.527 -0.002 0.000 0.298 1091 F C 2.565 178.388 175.800 0.038 0.000 1.096 1091 F CA 1.651 59.690 58.000 0.066 0.000 1.275 1091 F CB -0.252 38.778 39.000 0.051 0.000 1.008 1091 F HN 0.033 nan 8.300 nan 0.000 0.480 1092 Q N 0.124 120.053 119.800 0.216 0.000 2.167 1092 Q HA -0.107 4.232 4.340 -0.001 0.000 0.202 1092 Q C 2.421 178.514 176.000 0.155 0.000 0.970 1092 Q CA 1.184 57.116 55.803 0.216 0.000 0.855 1092 Q CB -0.424 28.542 28.738 0.380 0.000 0.911 1092 Q HN 0.546 nan 8.270 nan 0.000 0.438 1093 A N 0.446 123.288 122.820 0.037 0.000 1.898 1093 A HA -0.106 4.214 4.320 -0.001 0.000 0.216 1093 A C 1.748 179.299 177.584 -0.055 0.000 1.181 1093 A CA 0.947 52.985 52.037 0.001 0.000 0.620 1093 A CB -0.691 18.128 19.000 -0.302 0.000 0.819 1093 A HN 0.353 nan 8.150 nan 0.000 0.442 1094 F N -0.451 119.448 119.950 -0.084 0.000 2.367 1094 F HA -0.018 4.508 4.527 -0.001 0.000 0.298 1094 F C 2.357 177.984 175.800 -0.287 0.000 1.094 1094 F CA 1.253 59.157 58.000 -0.160 0.000 1.409 1094 F CB 0.181 39.074 39.000 -0.177 0.000 1.064 1094 F HN 0.195 nan 8.300 nan 0.000 0.528 1095 K N -0.443 119.764 120.400 -0.320 0.000 2.128 1095 K HA -0.083 4.236 4.320 -0.001 0.000 0.202 1095 K C 1.100 177.335 176.600 -0.608 0.000 1.050 1095 K CA 1.184 57.101 56.287 -0.616 0.000 0.966 1095 K CB 0.048 31.880 32.500 -1.112 0.000 0.759 1095 K HN 0.187 nan 8.250 nan 0.000 0.454 1096 Y N -1.839 118.321 120.300 -0.234 0.000 2.444 1096 Y HA 0.154 4.703 4.550 -0.002 0.000 0.252 1096 Y C 0.747 176.334 175.900 -0.522 0.000 1.091 1096 Y CA -0.080 57.763 58.100 -0.428 0.000 1.276 1096 Y CB 0.523 38.618 38.460 -0.608 0.000 1.170 1096 Y HN 0.031 nan 8.280 nan 0.000 0.517 1097 Y N -0.963 119.385 120.300 0.080 0.000 2.430 1097 Y HA 0.401 4.951 4.550 -0.001 0.000 0.254 1097 Y C 0.137 176.077 175.900 0.065 0.000 1.088 1097 Y CA -0.464 57.676 58.100 0.065 0.000 1.267 1097 Y CB 0.765 39.228 38.460 0.005 0.000 1.204 1097 Y HN -0.234 nan 8.280 nan 0.000 0.515 1098 L N 0.137 121.472 121.223 0.186 0.000 2.354 1098 L HA 0.379 4.718 4.340 -0.001 0.000 0.269 1098 L C -0.881 176.060 176.870 0.118 0.000 1.005 1098 L CA -1.136 53.803 54.840 0.165 0.000 0.819 1098 L CB 1.556 43.742 42.059 0.213 0.000 1.311 1098 L HN -0.163 nan 8.230 nan 0.000 0.423 1099 D N 2.600 123.061 120.400 0.102 0.000 2.365 1099 D HA 0.205 4.844 4.640 -0.001 0.000 0.237 1099 D C 0.498 176.828 176.300 0.049 0.000 1.190 1099 D CA -0.182 53.855 54.000 0.062 0.000 0.867 1099 D CB 0.929 41.767 40.800 0.064 0.000 1.050 1099 D HN 0.521 nan 8.370 nan 0.000 0.491 1100 I N 0.780 121.356 120.570 0.010 0.000 3.976 1100 I HA 0.199 4.368 4.170 -0.001 0.000 0.337 1100 I C 1.045 177.133 176.117 -0.049 0.000 1.359 1100 I CA -0.331 60.949 61.300 -0.034 0.000 1.098 1100 I CB 0.657 38.594 38.000 -0.106 0.000 1.027 1100 I HN 0.183 nan 8.210 nan 0.000 0.394 1101 T N 0.394 114.927 114.554 -0.036 0.000 3.042 1101 T HA 0.148 4.497 4.350 -0.001 0.000 0.245 1101 T C 0.917 175.597 174.700 -0.033 0.000 1.029 1101 T CA 0.561 62.623 62.100 -0.065 0.000 1.120 1101 T CB 0.006 68.835 68.868 -0.064 0.000 0.917 1101 T HN 0.353 nan 8.240 nan 0.000 0.467 1102 T N 4.680 119.239 114.554 0.008 0.000 2.867 1102 T HA 0.246 4.595 4.350 -0.001 0.000 0.297 1102 T C -2.525 172.202 174.700 0.045 0.000 0.989 1102 T CA -0.680 61.439 62.100 0.033 0.000 1.159 1102 T CB 0.963 69.860 68.868 0.048 0.000 0.928 1102 T HN 0.228 nan 8.240 nan 0.000 0.538 1103 P HA 0.117 nan 4.420 nan 0.000 0.266 1103 P C -2.149 175.235 177.300 0.141 0.000 1.195 1103 P CA -1.064 62.077 63.100 0.068 0.000 0.768 1103 P CB -0.205 31.500 31.700 0.009 0.000 0.838 1104 P HA 0.010 nan 4.420 nan 0.000 0.269 1104 P C -0.165 177.240 177.300 0.175 0.000 1.215 1104 P CA 0.032 63.190 63.100 0.097 0.000 0.780 1104 P CB 0.273 31.947 31.700 -0.044 0.000 0.898 1105 T N -0.672 113.906 114.554 0.041 0.000 2.828 1105 T HA 0.207 4.556 4.350 -0.001 0.000 0.290 1105 T C -1.796 172.811 174.700 -0.155 0.000 1.019 1105 T CA -1.559 60.543 62.100 0.004 0.000 1.031 1105 T CB -0.134 68.702 68.868 -0.054 0.000 1.001 1105 T HN 0.164 nan 8.240 nan 0.000 0.531 1106 P HA -0.064 nan 4.420 nan 0.000 0.216 1106 P C 1.629 178.748 177.300 -0.302 0.000 1.150 1106 P CA 0.351 63.140 63.100 -0.519 0.000 0.837 1106 P CB -0.048 31.246 31.700 -0.676 0.000 0.786 1107 L N -0.374 120.710 121.223 -0.232 0.000 2.093 1107 L HA -0.161 4.178 4.340 -0.001 0.000 0.208 1107 L C 2.189 178.949 176.870 -0.183 0.000 1.085 1107 L CA 1.878 56.619 54.840 -0.164 0.000 0.755 1107 L CB -1.287 40.708 42.059 -0.107 0.000 0.904 1107 L HN -0.045 nan 8.230 nan 0.000 0.435 1108 Q N -0.912 118.736 119.800 -0.253 0.000 2.119 1108 Q HA -0.142 4.197 4.340 -0.001 0.000 0.201 1108 Q C 2.239 177.810 176.000 -0.716 0.000 0.972 1108 Q CA 1.531 57.078 55.803 -0.426 0.000 0.847 1108 Q CB -0.181 28.264 28.738 -0.488 0.000 0.903 1108 Q HN 0.524 nan 8.270 nan 0.000 0.433 1109 L N 0.476 121.358 121.223 -0.569 0.000 2.201 1109 L HA -0.200 4.139 4.340 -0.001 0.000 0.212 1109 L C 2.592 179.309 176.870 -0.254 0.000 1.105 1109 L CA 0.995 55.545 54.840 -0.483 0.000 0.775 1109 L CB -0.412 41.422 42.059 -0.375 0.000 0.913 1109 L HN 0.364 nan 8.230 nan 0.000 0.440 1110 Q N 0.308 119.987 119.800 -0.203 0.000 2.050 1110 Q HA -0.293 4.047 4.340 -0.001 0.000 0.202 1110 Q C 2.241 178.223 176.000 -0.030 0.000 0.980 1110 Q CA 1.905 57.640 55.803 -0.113 0.000 0.840 1110 Q CB -0.020 28.659 28.738 -0.098 0.000 0.898 1110 Q HN 0.495 nan 8.270 nan 0.000 0.424 1111 Q N -0.786 119.016 119.800 0.004 0.000 2.124 1111 Q HA -0.162 4.177 4.340 -0.001 0.000 0.202 1111 Q C 1.687 177.837 176.000 0.249 0.000 0.977 1111 Q CA 1.325 57.208 55.803 0.134 0.000 0.850 1111 Q CB -0.060 28.784 28.738 0.176 0.000 0.901 1111 Q HN 0.363 nan 8.270 nan 0.000 0.429 1112 F N 0.405 120.307 119.950 -0.080 0.000 2.216 1112 F HA -0.058 4.468 4.527 -0.002 0.000 0.300 1112 F C 2.347 178.076 175.800 -0.119 0.000 1.085 1112 F CA 0.746 58.682 58.000 -0.106 0.000 1.326 1112 F CB -1.166 37.753 39.000 -0.136 0.000 1.027 1112 F HN 0.210 nan 8.300 nan 0.000 0.497 1113 A N -0.752 122.104 122.820 0.060 0.000 1.933 1113 A HA -0.163 4.157 4.320 -0.001 0.000 0.218 1113 A C 2.375 179.961 177.584 0.003 0.000 1.175 1113 A CA 1.914 53.933 52.037 -0.030 0.000 0.628 1113 A CB -1.013 17.946 19.000 -0.068 0.000 0.814 1113 A HN 0.267 nan 8.150 nan 0.000 0.444 1114 S N -0.635 115.087 115.700 0.038 0.000 2.603 1114 S HA 0.146 4.616 4.470 -0.001 0.000 0.229 1114 S C 1.217 175.849 174.600 0.053 0.000 0.972 1114 S CA 0.585 58.814 58.200 0.048 0.000 0.935 1114 S CB -0.229 63.016 63.200 0.075 0.000 0.769 1114 S HN 0.500 nan 8.310 nan 0.000 0.536 1115 L N 0.221 121.464 121.223 0.034 0.000 2.664 1115 L HA 0.371 4.710 4.340 -0.001 0.000 0.233 1115 L C 0.830 177.695 176.870 -0.008 0.000 1.113 1115 L CA -0.236 54.608 54.840 0.007 0.000 0.896 1115 L CB -0.032 41.992 42.059 -0.060 0.000 1.163 1115 L HN 0.132 nan 8.230 nan 0.000 0.497 1116 A N 0.259 123.077 122.820 -0.004 0.000 2.362 1116 A HA 0.365 4.684 4.320 -0.001 0.000 0.276 1116 A C 1.197 178.790 177.584 0.016 0.000 1.153 1116 A CA 0.059 52.099 52.037 0.005 0.000 0.813 1116 A CB 0.196 19.193 19.000 -0.005 0.000 1.081 1116 A HN 0.317 nan 8.150 nan 0.000 0.507 1117 T N -0.283 114.285 114.554 0.023 0.000 3.107 1117 T HA 0.056 4.405 4.350 -0.001 0.000 0.249 1117 T C 0.495 175.212 174.700 0.028 0.000 1.096 1117 T CA 0.152 62.267 62.100 0.024 0.000 1.012 1117 T CB -0.251 68.631 68.868 0.024 0.000 0.977 1117 T HN 0.564 nan 8.240 nan 0.000 0.527 1118 N N 1.410 120.132 118.700 0.037 0.000 2.437 1118 N HA 0.142 4.882 4.740 -0.001 0.000 0.259 1118 N C 0.687 176.220 175.510 0.037 0.000 0.983 1118 N CA -0.032 53.042 53.050 0.041 0.000 0.937 1118 N CB 1.967 40.489 38.487 0.059 0.000 1.122 1118 N HN 0.068 nan 8.380 nan 0.000 0.499 1119 E N 3.987 124.204 120.200 0.028 0.000 2.065 1119 E HA -0.247 4.102 4.350 -0.001 0.000 0.201 1119 E C 1.524 178.139 176.600 0.025 0.000 1.016 1119 E CA 1.764 58.176 56.400 0.020 0.000 0.818 1119 E CB 0.039 29.748 29.700 0.016 0.000 0.749 1119 E HN 0.702 nan 8.360 nan 0.000 0.453 1120 K N 0.111 120.533 120.400 0.036 0.000 2.074 1120 K HA -0.232 4.087 4.320 -0.001 0.000 0.209 1120 K C 2.091 178.735 176.600 0.073 0.000 1.048 1120 K CA 1.885 58.200 56.287 0.047 0.000 0.926 1120 K CB -0.142 32.388 32.500 0.050 0.000 0.713 1120 K HN 0.199 nan 8.250 nan 0.000 0.444 1121 E N 0.312 120.575 120.200 0.105 0.000 2.072 1121 E HA -0.183 4.166 4.350 -0.001 0.000 0.191 1121 E C 2.075 178.686 176.600 0.019 0.000 0.985 1121 E CA 0.983 57.492 56.400 0.181 0.000 0.801 1121 E CB 0.016 29.870 29.700 0.257 0.000 0.750 1121 E HN 0.259 nan 8.360 nan 0.000 0.452 1122 K N 0.737 121.133 120.400 -0.007 0.000 2.032 1122 K HA -0.231 4.088 4.320 -0.001 0.000 0.209 1122 K C 2.184 178.739 176.600 -0.074 0.000 1.048 1122 K CA 1.277 57.530 56.287 -0.057 0.000 0.927 1122 K CB 0.122 32.608 32.500 -0.024 0.000 0.712 1122 K HN 0.004 nan 8.250 nan 0.000 0.441 1123 Q N 0.559 120.337 119.800 -0.036 0.000 2.061 1123 Q HA -0.192 4.148 4.340 -0.001 0.000 0.204 1123 Q C 2.181 178.146 176.000 -0.058 0.000 0.984 1123 Q CA 1.445 57.226 55.803 -0.037 0.000 0.846 1123 Q CB -0.396 28.336 28.738 -0.011 0.000 0.902 1123 Q HN 0.219 nan 8.270 nan 0.000 0.421 1124 R N 0.976 121.454 120.500 -0.036 0.000 2.073 1124 R HA -0.067 4.272 4.340 -0.001 0.000 0.234 1124 R C 2.320 178.504 176.300 -0.193 0.000 1.134 1124 R CA 1.287 57.364 56.100 -0.037 0.000 0.952 1124 R CB -0.862 29.522 30.300 0.141 0.000 0.850 1124 R HN 0.267 nan 8.270 nan 0.000 0.433 1125 L N 0.060 121.074 121.223 -0.348 0.000 2.079 1125 L HA -0.188 4.151 4.340 -0.001 0.000 0.210 1125 L C 2.381 179.075 176.870 -0.293 0.000 1.081 1125 L CA 1.296 55.844 54.840 -0.488 0.000 0.752 1125 L CB -0.445 41.301 42.059 -0.520 0.000 0.896 1125 L HN 0.225 nan 8.230 nan 0.000 0.433 1126 L N -1.275 119.832 121.223 -0.192 0.000 2.093 1126 L HA -0.178 4.162 4.340 -0.001 0.000 0.208 1126 L C 2.480 179.273 176.870 -0.128 0.000 1.085 1126 L CA 0.689 55.447 54.840 -0.137 0.000 0.755 1126 L CB -0.437 41.567 42.059 -0.092 0.000 0.904 1126 L HN 0.068 nan 8.230 nan 0.000 0.435 1127 V N 0.156 119.997 119.914 -0.121 0.000 2.295 1127 V HA -0.281 3.838 4.120 -0.001 0.000 0.246 1127 V C 2.378 178.404 176.094 -0.112 0.000 1.049 1127 V CA 1.616 63.859 62.300 -0.095 0.000 1.024 1127 V CB -0.367 31.413 31.823 -0.071 0.000 0.648 1127 V HN 0.344 nan 8.190 nan 0.000 0.447 1128 L N 0.982 122.103 121.223 -0.170 0.000 2.131 1128 L HA -0.157 4.182 4.340 -0.001 0.000 0.210 1128 L C 2.664 179.449 176.870 -0.142 0.000 1.092 1128 L CA 1.760 56.506 54.840 -0.157 0.000 0.759 1128 L CB -0.795 41.024 42.059 -0.401 0.000 0.903 1128 L HN 0.564 nan 8.230 nan 0.000 0.435 1129 S N -0.429 115.149 115.700 -0.203 0.000 2.469 1129 S HA -0.174 4.295 4.470 -0.001 0.000 0.238 1129 S C 1.769 176.242 174.600 -0.213 0.000 0.998 1129 S CA 0.770 58.836 58.200 -0.224 0.000 0.957 1129 S CB -0.326 62.763 63.200 -0.186 0.000 0.764 1129 S HN 0.427 nan 8.310 nan 0.000 0.514 1130 K N 0.938 121.241 120.400 -0.161 0.000 2.283 1130 K HA 0.091 4.410 4.320 -0.001 0.000 0.202 1130 K C 1.401 177.897 176.600 -0.174 0.000 1.048 1130 K CA 0.454 56.661 56.287 -0.133 0.000 0.948 1130 K CB -0.739 31.710 32.500 -0.085 0.000 0.742 1130 K HN 0.591 nan 8.250 nan 0.000 0.458 1131 G N 1.613 110.260 108.800 -0.255 0.000 2.249 1131 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.273 1131 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.273 1131 G C 0.120 174.946 174.900 -0.124 0.000 1.036 1131 G CA 0.389 45.254 45.100 -0.392 0.000 0.824 1131 G HN 0.155 nan 8.290 nan 0.000 0.504 1132 L N -2.217 118.987 121.223 -0.031 0.000 2.790 1132 L HA 0.428 4.767 4.340 -0.001 0.000 0.219 1132 L C 2.118 178.984 176.870 -0.008 0.000 2.006 1132 L CA -0.220 54.612 54.840 -0.012 0.000 2.500 1132 L CB -0.476 41.571 42.059 -0.019 0.000 2.732 1132 L HN 0.122 nan 8.230 nan 0.000 0.605 1133 Q N 0.134 119.924 119.800 -0.015 0.000 2.062 1133 Q HA -0.275 4.064 4.340 -0.001 0.000 0.209 1133 Q C 1.777 177.752 176.000 -0.042 0.000 0.996 1133 Q CA 2.598 58.383 55.803 -0.029 0.000 0.859 1133 Q CB 0.068 28.809 28.738 0.004 0.000 0.920 1133 Q HN 0.483 nan 8.270 nan 0.000 0.415 1134 E N -0.645 119.550 120.200 -0.008 0.000 2.077 1134 E HA -0.214 4.135 4.350 -0.001 0.000 0.193 1134 E C 1.600 178.210 176.600 0.017 0.000 0.989 1134 E CA 1.439 57.842 56.400 0.004 0.000 0.800 1134 E CB -0.411 29.288 29.700 -0.002 0.000 0.746 1134 E HN 0.473 nan 8.360 nan 0.000 0.452 1135 Y N 1.730 121.965 120.300 -0.109 0.000 2.145 1135 Y HA -0.192 4.357 4.550 -0.001 0.000 0.286 1135 Y C 1.858 177.673 175.900 -0.141 0.000 1.145 1135 Y CA 1.793 59.843 58.100 -0.084 0.000 1.148 1135 Y CB 0.008 38.395 38.460 -0.122 0.000 0.981 1135 Y HN -0.009 nan 8.280 nan 0.000 0.507 1136 E N -0.012 119.958 120.200 -0.383 0.000 2.077 1136 E HA -0.276 4.074 4.350 -0.001 0.000 0.193 1136 E C 2.164 178.227 176.600 -0.896 0.000 0.989 1136 E CA 1.389 57.113 56.400 -1.127 0.000 0.800 1136 E CB -0.222 28.604 29.700 -1.458 0.000 0.746 1136 E HN 0.643 nan 8.360 nan 0.000 0.452 1137 E N 0.182 120.172 120.200 -0.350 0.000 2.058 1137 E HA -0.232 4.118 4.350 -0.001 0.000 0.194 1137 E C 1.831 178.428 176.600 -0.004 0.000 0.997 1137 E CA 1.283 57.644 56.400 -0.065 0.000 0.801 1137 E CB -0.166 29.542 29.700 0.014 0.000 0.746 1137 E HN 0.330 nan 8.360 nan 0.000 0.450 1138 W N 1.945 123.108 121.300 -0.227 0.000 2.354 1138 W HA -0.169 4.490 4.660 -0.002 0.000 0.315 1138 W C 2.371 178.761 176.519 -0.215 0.000 1.206 1138 W CA 2.221 59.459 57.345 -0.180 0.000 1.290 1138 W CB -0.248 29.108 29.460 -0.173 0.000 1.152 1138 W HN -0.064 nan 8.180 nan 0.000 0.489 1139 K N -0.629 119.577 120.400 -0.323 0.000 2.001 1139 K HA -0.206 4.113 4.320 -0.001 0.000 0.208 1139 K C 1.908 178.416 176.600 -0.154 0.000 1.048 1139 K CA 1.992 58.003 56.287 -0.459 0.000 0.932 1139 K CB -0.960 31.185 32.500 -0.591 0.000 0.715 1139 K HN 0.122 nan 8.250 nan 0.000 0.437 1140 W N 0.298 121.505 121.300 -0.154 0.000 2.402 1140 W HA 0.054 4.713 4.660 -0.001 0.000 0.286 1140 W C 2.145 178.603 176.519 -0.102 0.000 1.221 1140 W CA 1.084 58.368 57.345 -0.102 0.000 1.257 1140 W CB -1.150 28.277 29.460 -0.054 0.000 1.120 1140 W HN 0.342 nan 8.180 nan 0.000 0.551 1141 G N -0.020 108.838 108.800 0.096 0.000 2.492 1141 G HA2 -0.121 3.838 3.960 -0.001 0.000 0.214 1141 G HA3 -0.121 3.838 3.960 -0.001 0.000 0.214 1141 G C 1.604 176.466 174.900 -0.064 0.000 1.147 1141 G CA 0.447 45.562 45.100 0.024 0.000 0.809 1141 G HN 0.202 nan 8.290 nan 0.000 0.533 1142 K N -0.260 120.031 120.400 -0.182 0.000 2.335 1142 K HA 0.113 4.433 4.320 -0.001 0.000 0.195 1142 K C 0.853 177.346 176.600 -0.177 0.000 1.058 1142 K CA 0.095 56.234 56.287 -0.247 0.000 0.988 1142 K CB 0.213 32.444 32.500 -0.449 0.000 0.880 1142 K HN 0.258 nan 8.250 nan 0.000 0.513 1143 N N 1.942 120.540 118.700 -0.170 0.000 2.714 1143 N HA -0.097 4.643 4.740 -0.001 0.000 0.252 1143 N C -2.615 172.914 175.510 0.031 0.000 1.014 1143 N CA -0.191 52.851 53.050 -0.013 0.000 0.735 1143 N CB -0.367 38.241 38.487 0.201 0.000 0.924 1143 N HN 0.068 nan 8.380 nan 0.000 0.540 1144 P HA 0.026 nan 4.420 nan 0.000 0.267 1144 P C 0.359 177.610 177.300 -0.082 0.000 1.205 1144 P CA 0.328 63.325 63.100 -0.173 0.000 0.765 1144 P CB 0.809 32.228 31.700 -0.468 0.000 0.828 1145 T N 0.304 114.816 114.554 -0.070 0.000 2.816 1145 T HA 0.187 4.536 4.350 -0.001 0.000 0.282 1145 T C 1.361 176.063 174.700 0.004 0.000 0.993 1145 T CA -0.633 61.413 62.100 -0.091 0.000 0.994 1145 T CB 0.432 69.193 68.868 -0.178 0.000 1.025 1145 T HN 0.202 nan 8.240 nan 0.000 0.529 1146 M N 1.009 120.614 119.600 0.009 0.000 2.080 1146 M HA -0.030 4.449 4.480 -0.001 0.000 0.260 1146 M C 2.120 178.444 176.300 0.040 0.000 1.068 1146 M CA 1.498 56.837 55.300 0.065 0.000 1.109 1146 M CB -1.296 31.311 32.600 0.013 0.000 1.342 1146 M HN 0.615 nan 8.290 nan 0.000 0.405 1147 V N -0.191 119.700 119.914 -0.037 0.000 2.490 1147 V HA -0.259 3.860 4.120 -0.001 0.000 0.250 1147 V C 2.030 178.129 176.094 0.008 0.000 1.061 1147 V CA 2.193 64.466 62.300 -0.044 0.000 1.064 1147 V CB -0.450 31.323 31.823 -0.084 0.000 0.670 1147 V HN 0.603 nan 8.190 nan 0.000 0.461 1148 E N -0.800 119.414 120.200 0.024 0.000 2.106 1148 E HA -0.152 4.197 4.350 -0.001 0.000 0.192 1148 E C 2.160 178.833 176.600 0.122 0.000 0.984 1148 E CA 1.416 57.845 56.400 0.048 0.000 0.806 1148 E CB -0.005 29.718 29.700 0.037 0.000 0.750 1148 E HN 0.542 nan 8.360 nan 0.000 0.458 1149 V N 1.107 121.154 119.914 0.220 0.000 2.307 1149 V HA -0.245 3.874 4.120 -0.001 0.000 0.245 1149 V C 2.209 178.534 176.094 0.386 0.000 1.045 1149 V CA 1.387 63.950 62.300 0.439 0.000 1.024 1149 V CB -0.366 31.793 31.823 0.559 0.000 0.651 1149 V HN 0.319 nan 8.190 nan 0.000 0.449 1150 L N -0.290 121.063 121.223 0.216 0.000 2.191 1150 L HA -0.163 4.177 4.340 -0.001 0.000 0.212 1150 L C 2.442 179.367 176.870 0.093 0.000 1.103 1150 L CA 1.452 56.368 54.840 0.125 0.000 0.769 1150 L CB -0.566 41.497 42.059 0.008 0.000 0.908 1150 L HN 0.443 nan 8.230 nan 0.000 0.438 1151 E N -0.274 119.962 120.200 0.061 0.000 2.230 1151 E HA -0.184 4.166 4.350 -0.001 0.000 0.192 1151 E C 1.897 178.473 176.600 -0.040 0.000 0.987 1151 E CA 0.422 56.828 56.400 0.010 0.000 0.841 1151 E CB 0.154 29.852 29.700 -0.003 0.000 0.783 1151 E HN 0.446 nan 8.360 nan 0.000 0.481 1152 E N 0.159 120.308 120.200 -0.085 0.000 2.216 1152 E HA -0.081 4.268 4.350 -0.001 0.000 0.192 1152 E C -0.234 176.002 176.600 -0.606 0.000 0.988 1152 E CA 0.571 56.752 56.400 -0.365 0.000 0.834 1152 E CB 0.280 29.692 29.700 -0.480 0.000 0.772 1152 E HN 0.097 nan 8.360 nan 0.000 0.479 1153 F N 0.718 120.713 119.950 0.075 0.000 2.531 1153 F HA 0.305 4.831 4.527 -0.001 0.000 0.333 1153 F C -1.868 173.945 175.800 0.021 0.000 1.292 1153 F CA -2.031 55.997 58.000 0.046 0.000 1.184 1153 F CB 1.612 40.644 39.000 0.054 0.000 1.426 1153 F HN -0.040 nan 8.300 nan 0.000 0.559 1154 P HA -0.178 nan 4.420 nan 0.000 0.226 1154 P C 1.421 178.757 177.300 0.059 0.000 1.146 1154 P CA 1.260 64.397 63.100 0.062 0.000 0.773 1154 P CB 0.204 31.921 31.700 0.028 0.000 0.772 1155 S N -1.102 114.650 115.700 0.086 0.000 2.561 1155 S HA 0.020 4.489 4.470 -0.001 0.000 0.225 1155 S C 0.988 175.610 174.600 0.036 0.000 0.977 1155 S CA -0.303 57.932 58.200 0.058 0.000 0.926 1155 S CB -1.096 62.144 63.200 0.067 0.000 0.769 1155 S HN 0.035 nan 8.310 nan 0.000 0.533 1156 I N 2.885 123.477 120.570 0.037 0.000 2.598 1156 I HA 0.056 4.225 4.170 -0.001 0.000 0.284 1156 I C 0.136 176.214 176.117 -0.064 0.000 1.140 1156 I CA 0.035 61.316 61.300 -0.032 0.000 1.420 1156 I CB 0.572 38.525 38.000 -0.079 0.000 1.387 1156 I HN 0.271 nan 8.210 nan 0.000 0.553 1157 Q N 7.256 127.014 119.800 -0.068 0.000 2.456 1157 Q HA 0.267 4.606 4.340 -0.001 0.000 0.234 1157 Q C -0.563 175.366 176.000 -0.119 0.000 1.061 1157 Q CA -0.618 55.150 55.803 -0.058 0.000 0.896 1157 Q CB 1.257 29.987 28.738 -0.013 0.000 1.233 1157 Q HN 0.476 nan 8.270 nan 0.000 0.506 1158 M N 4.798 124.304 119.600 -0.156 0.000 2.094 1158 M HA 0.341 4.820 4.480 -0.001 0.000 0.348 1158 M C -2.565 173.638 176.300 -0.161 0.000 1.267 1158 M CA -2.161 52.995 55.300 -0.239 0.000 1.125 1158 M CB 0.947 33.374 32.600 -0.288 0.000 1.527 1158 M HN 0.053 nan 8.290 nan 0.000 0.447 1159 P HA 0.218 nan 4.420 nan 0.000 0.276 1159 P C -0.226 177.027 177.300 -0.079 0.000 1.230 1159 P CA -0.048 63.013 63.100 -0.065 0.000 0.776 1159 P CB 0.884 32.596 31.700 0.020 0.000 0.888 1160 A N 3.287 126.118 122.820 0.020 0.000 1.940 1160 A HA -0.191 4.128 4.320 -0.001 0.000 0.219 1160 A C 1.975 179.578 177.584 0.032 0.000 1.176 1160 A CA 2.538 54.612 52.037 0.061 0.000 0.631 1160 A CB -1.972 17.078 19.000 0.083 0.000 0.814 1160 A HN 0.602 nan 8.150 nan 0.000 0.446 1161 T N -1.715 112.879 114.554 0.066 0.000 2.881 1161 T HA -0.090 4.260 4.350 -0.001 0.000 0.270 1161 T C 1.809 176.462 174.700 -0.079 0.000 1.068 1161 T CA 1.299 63.453 62.100 0.091 0.000 1.131 1161 T CB -0.490 68.596 68.868 0.363 0.000 0.871 1161 T HN 0.343 nan 8.240 nan 0.000 0.479 1162 L N -0.391 120.610 121.223 -0.369 0.000 2.005 1162 L HA 0.051 4.390 4.340 -0.001 0.000 0.207 1162 L C 2.456 179.120 176.870 -0.343 0.000 1.072 1162 L CA 1.204 55.531 54.840 -0.855 0.000 0.744 1162 L CB -0.398 40.885 42.059 -1.293 0.000 0.895 1162 L HN 0.183 nan 8.230 nan 0.000 0.433 1163 L N -0.160 120.956 121.223 -0.179 0.000 2.046 1163 L HA -0.215 4.124 4.340 -0.001 0.000 0.208 1163 L C 2.358 179.283 176.870 0.091 0.000 1.077 1163 L CA 1.706 56.556 54.840 0.016 0.000 0.747 1163 L CB -0.755 41.370 42.059 0.110 0.000 0.896 1163 L HN 0.242 nan 8.230 nan 0.000 0.432 1164 L N -1.216 120.027 121.223 0.032 0.000 2.191 1164 L HA -0.191 4.148 4.340 -0.001 0.000 0.212 1164 L C 2.134 178.938 176.870 -0.110 0.000 1.103 1164 L CA 1.676 56.473 54.840 -0.071 0.000 0.769 1164 L CB -0.739 41.231 42.059 -0.147 0.000 0.908 1164 L HN 0.501 nan 8.230 nan 0.000 0.438 1165 T N -6.427 108.028 114.554 -0.166 0.000 2.990 1165 T HA 0.039 4.388 4.350 -0.001 0.000 0.249 1165 T C 1.717 176.355 174.700 -0.104 0.000 1.039 1165 T CA -0.227 61.741 62.100 -0.220 0.000 1.036 1165 T CB 0.285 68.805 68.868 -0.580 0.000 0.994 1165 T HN 0.043 nan 8.240 nan 0.000 0.489 1166 Q N 0.690 120.453 119.800 -0.062 0.000 2.339 1166 Q HA 0.420 4.760 4.340 -0.001 0.000 0.205 1166 Q C 0.857 176.881 176.000 0.040 0.000 0.925 1166 Q CA 0.120 55.927 55.803 0.007 0.000 0.898 1166 Q CB -0.069 28.681 28.738 0.019 0.000 1.013 1166 Q HN 0.527 nan 8.270 nan 0.000 0.504 1167 L N 1.408 122.663 121.223 0.053 0.000 2.461 1167 L HA 0.078 4.417 4.340 -0.001 0.000 0.272 1167 L C 0.539 177.452 176.870 0.071 0.000 1.197 1167 L CA -0.130 54.757 54.840 0.079 0.000 0.836 1167 L CB 0.478 42.608 42.059 0.118 0.000 1.105 1167 L HN -0.045 nan 8.230 nan 0.000 0.477 1168 S N 2.075 117.820 115.700 0.076 0.000 2.603 1168 S HA 0.374 4.843 4.470 -0.001 0.000 0.268 1168 S C 0.032 174.691 174.600 0.100 0.000 1.317 1168 S CA -0.743 57.504 58.200 0.079 0.000 1.012 1168 S CB 0.754 64.000 63.200 0.077 0.000 0.926 1168 S HN 0.289 nan 8.310 nan 0.000 0.539 1169 L N 1.736 123.028 121.223 0.115 0.000 2.461 1169 L HA 0.233 4.572 4.340 -0.001 0.000 0.272 1169 L C 0.348 177.337 176.870 0.199 0.000 1.197 1169 L CA -0.273 54.667 54.840 0.166 0.000 0.836 1169 L CB 0.120 42.287 42.059 0.180 0.000 1.105 1169 L HN 0.465 nan 8.230 nan 0.000 0.477 1170 L N 3.501 124.860 121.223 0.226 0.000 2.418 1170 L HA 0.077 4.416 4.340 -0.001 0.000 0.274 1170 L C 0.074 177.080 176.870 0.227 0.000 1.135 1170 L CA -0.361 54.582 54.840 0.172 0.000 0.870 1170 L CB 0.637 42.771 42.059 0.125 0.000 1.154 1170 L HN 0.615 nan 8.230 nan 0.000 0.462 1171 Q N 6.259 126.126 119.800 0.111 0.000 2.260 1171 Q HA 0.413 4.752 4.340 -0.001 0.000 0.242 1171 Q C -2.154 173.726 176.000 -0.201 0.000 0.932 1171 Q CA -1.736 54.084 55.803 0.027 0.000 0.891 1171 Q CB 0.991 29.740 28.738 0.017 0.000 1.222 1171 Q HN 0.441 nan 8.270 nan 0.000 0.453 1172 P HA 0.290 nan 4.420 nan 0.000 0.276 1172 P C -0.725 176.166 177.300 -0.683 0.000 1.244 1172 P CA -0.462 62.056 63.100 -0.970 0.000 0.801 1172 P CB 0.916 31.705 31.700 -1.519 0.000 1.006 1173 R N 0.962 121.086 120.500 -0.626 0.000 2.514 1173 R HA 0.482 4.821 4.340 -0.001 0.000 0.301 1173 R C -0.611 175.203 176.300 -0.809 0.000 0.962 1173 R CA -0.521 55.249 56.100 -0.549 0.000 0.882 1173 R CB 0.391 30.534 30.300 -0.261 0.000 1.143 1173 R HN 0.422 nan 8.270 nan 0.000 0.452 1174 Y N 2.127 122.030 120.300 -0.662 0.000 2.310 1174 Y HA 0.400 4.949 4.550 -0.002 0.000 0.326 1174 Y C -0.447 174.839 175.900 -1.023 0.000 1.151 1174 Y CA 0.046 57.747 58.100 -0.666 0.000 1.195 1174 Y CB 1.001 39.115 38.460 -0.575 0.000 1.210 1174 Y HN 0.438 nan 8.280 nan 0.000 0.483 1175 Y N -0.453 119.755 120.300 -0.153 0.000 2.457 1175 Y HA 0.346 4.895 4.550 -0.001 0.000 0.343 1175 Y C -0.237 175.628 175.900 -0.058 0.000 0.994 1175 Y CA -1.285 56.695 58.100 -0.200 0.000 1.031 1175 Y CB 1.972 40.316 38.460 -0.194 0.000 1.246 1175 Y HN 0.407 nan 8.280 nan 0.000 0.449 1176 S N 3.800 119.529 115.700 0.049 0.000 2.455 1176 S HA 0.322 4.791 4.470 -0.001 0.000 0.278 1176 S C 0.130 174.705 174.600 -0.042 0.000 1.216 1176 S CA -0.511 57.713 58.200 0.041 0.000 1.055 1176 S CB -0.317 62.907 63.200 0.039 0.000 0.939 1176 S HN 0.416 nan 8.310 nan 0.000 0.494 1177 I N 3.073 123.571 120.570 -0.120 0.000 2.741 1177 I HA -0.055 4.114 4.170 -0.001 0.000 0.288 1177 I C 0.875 176.905 176.117 -0.146 0.000 1.192 1177 I CA 0.340 61.525 61.300 -0.192 0.000 1.426 1177 I CB 0.543 38.310 38.000 -0.389 0.000 1.367 1177 I HN 0.574 nan 8.210 nan 0.000 0.563 1178 S N 3.820 119.454 115.700 -0.110 0.000 2.583 1178 S HA 0.136 4.605 4.470 -0.001 0.000 0.239 1178 S C 0.126 174.629 174.600 -0.163 0.000 0.966 1178 S CA -0.473 57.648 58.200 -0.130 0.000 0.973 1178 S CB -0.164 63.021 63.200 -0.025 0.000 0.794 1178 S HN 0.804 nan 8.310 nan 0.000 0.463 1179 S N 0.406 116.019 115.700 -0.144 0.000 2.595 1179 S HA 0.685 5.154 4.470 -0.001 0.000 0.281 1179 S C -0.551 174.067 174.600 0.031 0.000 1.117 1179 S CA -0.779 57.320 58.200 -0.169 0.000 0.873 1179 S CB 1.821 64.691 63.200 -0.551 0.000 1.108 1179 S HN 0.065 nan 8.310 nan 0.000 0.477 1180 S N 1.708 117.417 115.700 0.016 0.000 2.480 1180 S HA 0.492 4.961 4.470 -0.001 0.000 0.286 1180 S C -1.590 172.936 174.600 -0.123 0.000 1.180 1180 S CA -1.886 56.292 58.200 -0.035 0.000 1.075 1180 S CB 0.892 64.041 63.200 -0.085 0.000 0.996 1180 S HN 0.628 nan 8.310 nan 0.000 0.487 1181 P HA -0.036 nan 4.420 nan 0.000 0.223 1181 P C 0.337 177.377 177.300 -0.434 0.000 1.151 1181 P CA 0.920 63.735 63.100 -0.475 0.000 0.787 1181 P CB 0.172 31.376 31.700 -0.827 0.000 0.788 1182 D N -0.884 119.165 120.400 -0.585 0.000 2.183 1182 D HA -0.018 4.621 4.640 -0.001 0.000 0.205 1182 D C 1.875 177.675 176.300 -0.833 0.000 0.962 1182 D CA 0.840 54.262 54.000 -0.962 0.000 0.849 1182 D CB -0.313 39.345 40.800 -1.904 0.000 0.978 1182 D HN 0.071 nan 8.370 nan 0.000 0.488 1183 M N -0.496 118.776 119.600 -0.548 0.000 2.200 1183 M HA -0.070 4.409 4.480 -0.001 0.000 0.265 1183 M C -0.166 175.769 176.300 -0.608 0.000 1.066 1183 M CA 1.250 56.303 55.300 -0.411 0.000 1.127 1183 M CB 0.083 32.571 32.600 -0.185 0.000 1.379 1183 M HN -0.132 nan 8.290 nan 0.000 0.420 1184 Y N -0.438 119.749 120.300 -0.188 0.000 2.748 1184 Y HA 0.434 4.983 4.550 -0.001 0.000 0.359 1184 Y C -2.315 173.494 175.900 -0.153 0.000 1.030 1184 Y CA -3.083 54.939 58.100 -0.129 0.000 1.169 1184 Y CB -0.068 38.295 38.460 -0.162 0.000 1.127 1184 Y HN 0.056 nan 8.280 nan 0.000 0.644 1185 P HA 0.007 nan 4.420 nan 0.000 0.265 1185 P C 0.008 177.253 177.300 -0.092 0.000 1.193 1185 P CA 0.892 63.926 63.100 -0.110 0.000 0.765 1185 P CB 0.546 32.181 31.700 -0.108 0.000 0.823 1186 D N -0.203 120.120 120.400 -0.128 0.000 3.076 1186 D HA -0.171 4.468 4.640 -0.001 0.000 0.218 1186 D C -0.197 175.898 176.300 -0.341 0.000 1.156 1186 D CA 1.347 55.199 54.000 -0.246 0.000 0.921 1186 D CB -1.153 39.448 40.800 -0.333 0.000 1.113 1186 D HN 0.561 nan 8.370 nan 0.000 0.418 1187 E N -0.921 119.219 120.200 -0.099 0.000 2.336 1187 E HA 0.670 5.019 4.350 -0.001 0.000 0.267 1187 E C -0.704 175.928 176.600 0.054 0.000 0.906 1187 E CA -0.990 55.399 56.400 -0.019 0.000 0.781 1187 E CB 2.918 32.683 29.700 0.108 0.000 1.261 1187 E HN -0.142 nan 8.360 nan 0.000 0.436 1188 V N 2.028 121.961 119.914 0.032 0.000 2.569 1188 V HA 0.272 4.392 4.120 -0.001 0.000 0.301 1188 V C -0.999 175.114 176.094 0.031 0.000 1.044 1188 V CA -0.698 61.547 62.300 -0.092 0.000 0.874 1188 V CB 1.528 33.237 31.823 -0.190 0.000 1.002 1188 V HN 0.658 nan 8.190 nan 0.000 0.424 1189 H N 4.825 123.778 119.070 -0.195 0.000 2.499 1189 H HA 0.786 5.341 4.556 -0.001 0.000 0.340 1189 H C -0.931 174.313 175.328 -0.141 0.000 1.148 1189 H CA -0.890 55.052 56.048 -0.176 0.000 1.215 1189 H CB 2.162 31.904 29.762 -0.033 0.000 1.529 1189 H HN 0.392 nan 8.280 nan 0.000 0.510 1190 L N 1.381 122.594 121.223 -0.016 0.000 2.371 1190 L HA 0.415 4.754 4.340 -0.001 0.000 0.262 1190 L C -0.486 176.435 176.870 0.085 0.000 1.006 1190 L CA -0.811 54.013 54.840 -0.027 0.000 0.818 1190 L CB 2.506 44.451 42.059 -0.191 0.000 1.354 1190 L HN 0.593 nan 8.230 nan 0.000 0.415 1191 T N 1.641 116.273 114.554 0.130 0.000 2.833 1191 T HA 0.535 4.885 4.350 -0.001 0.000 0.297 1191 T C -0.499 174.275 174.700 0.124 0.000 1.015 1191 T CA -0.387 61.841 62.100 0.214 0.000 0.963 1191 T CB 1.473 70.539 68.868 0.331 0.000 0.955 1191 T HN 0.203 nan 8.240 nan 0.000 0.449 1192 V N 2.655 122.603 119.914 0.057 0.000 2.444 1192 V HA 0.717 4.836 4.120 -0.001 0.000 0.294 1192 V C 0.331 176.471 176.094 0.076 0.000 1.022 1192 V CA -1.223 61.099 62.300 0.037 0.000 0.850 1192 V CB 1.483 33.222 31.823 -0.141 0.000 0.992 1192 V HN 1.037 nan 8.190 nan 0.000 0.426 1193 A N 6.197 129.093 122.820 0.126 0.000 2.409 1193 A HA 0.631 4.950 4.320 -0.001 0.000 0.262 1193 A C -0.110 177.538 177.584 0.105 0.000 1.113 1193 A CA -0.313 51.795 52.037 0.119 0.000 0.790 1193 A CB 0.027 19.113 19.000 0.143 0.000 1.046 1193 A HN 0.639 nan 8.150 nan 0.000 0.496 1194 I N 3.737 124.360 120.570 0.087 0.000 2.396 1194 I HA 0.116 4.285 4.170 -0.001 0.000 0.289 1194 I C 0.065 176.256 176.117 0.124 0.000 1.056 1194 I CA -0.034 61.320 61.300 0.090 0.000 1.365 1194 I CB 0.726 38.763 38.000 0.063 0.000 1.407 1194 I HN 0.267 nan 8.210 nan 0.000 0.509 1195 V N 7.195 127.200 119.914 0.153 0.000 2.385 1195 V HA 0.433 4.552 4.120 -0.001 0.000 0.269 1195 V C 0.263 176.502 176.094 0.241 0.000 1.043 1195 V CA -0.198 62.219 62.300 0.194 0.000 0.906 1195 V CB 1.036 32.979 31.823 0.200 0.000 0.995 1195 V HN 0.938 nan 8.190 nan 0.000 0.467 1196 S N 4.948 120.785 115.700 0.228 0.000 2.536 1196 S HA 0.875 5.344 4.470 -0.001 0.000 0.271 1196 S C -1.212 173.440 174.600 0.088 0.000 1.134 1196 S CA -0.866 57.385 58.200 0.086 0.000 0.897 1196 S CB 1.876 65.174 63.200 0.164 0.000 1.094 1196 S HN 0.849 nan 8.310 nan 0.000 0.473 1197 Y N -1.209 118.981 120.300 -0.184 0.000 2.552 1197 Y HA 0.613 5.162 4.550 -0.002 0.000 0.337 1197 Y C -0.852 174.896 175.900 -0.252 0.000 1.094 1197 Y CA -1.231 56.776 58.100 -0.154 0.000 1.028 1197 Y CB 0.634 39.058 38.460 -0.061 0.000 1.321 1197 Y HN 0.736 nan 8.280 nan 0.000 0.456 1198 H N 2.350 121.441 119.070 0.035 0.000 2.646 1198 H HA 0.363 4.919 4.556 -0.001 0.000 0.325 1198 H C 0.136 175.446 175.328 -0.030 0.000 1.075 1198 H CA 0.628 56.638 56.048 -0.063 0.000 1.421 1198 H CB 1.835 31.574 29.762 -0.039 0.000 1.461 1198 H HN 0.956 nan 8.280 nan 0.000 0.525 1199 T N -0.094 114.439 114.554 -0.035 0.000 2.910 1199 T HA 0.287 4.636 4.350 -0.001 0.000 0.279 1199 T C 0.445 175.116 174.700 -0.048 0.000 0.989 1199 T CA -1.170 60.882 62.100 -0.081 0.000 0.968 1199 T CB 1.147 69.823 68.868 -0.321 0.000 1.135 1199 T HN 0.690 nan 8.240 nan 0.000 0.562 1200 R N 1.570 122.037 120.500 -0.056 0.000 3.225 1200 R HA -0.197 4.142 4.340 -0.001 0.000 0.245 1200 R C -0.351 175.935 176.300 -0.023 0.000 0.928 1200 R CA 0.694 56.770 56.100 -0.040 0.000 0.632 1200 R CB -2.079 28.188 30.300 -0.056 0.000 1.038 1200 R HN 0.940 nan 8.270 nan 0.000 0.461 1201 D N -2.857 117.537 120.400 -0.009 0.000 3.028 1201 D HA -0.275 4.364 4.640 -0.001 0.000 0.211 1201 D C 1.130 177.402 176.300 -0.047 0.000 1.136 1201 D CA 2.243 56.234 54.000 -0.016 0.000 0.987 1201 D CB -0.971 39.820 40.800 -0.015 0.000 1.128 1201 D HN 0.796 nan 8.370 nan 0.000 0.406 1202 G N -0.487 108.279 108.800 -0.056 0.000 3.382 1202 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.214 1202 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.214 1202 G C 0.749 175.594 174.900 -0.092 0.000 1.025 1202 G CA 0.280 45.297 45.100 -0.139 0.000 0.869 1202 G HN 0.333 nan 8.290 nan 0.000 0.458 1203 E N 0.876 121.043 120.200 -0.054 0.000 2.435 1203 E HA 0.236 4.585 4.350 -0.001 0.000 0.195 1203 E C 1.586 178.167 176.600 -0.032 0.000 1.029 1203 E CA 0.286 56.662 56.400 -0.039 0.000 0.865 1203 E CB 0.409 30.087 29.700 -0.035 0.000 0.833 1203 E HN 0.422 nan 8.360 nan 0.000 0.510 1204 G N 2.797 111.573 108.800 -0.039 0.000 2.562 1204 G HA2 0.209 4.168 3.960 -0.001 0.000 0.275 1204 G HA3 0.209 4.168 3.960 -0.001 0.000 0.275 1204 G C -2.291 172.558 174.900 -0.085 0.000 1.196 1204 G CA -0.989 44.064 45.100 -0.078 0.000 0.908 1204 G HN -0.079 nan 8.290 nan 0.000 0.524 1205 P HA 0.159 nan 4.420 nan 0.000 0.272 1205 P C -0.344 176.768 177.300 -0.314 0.000 1.240 1205 P CA -0.299 62.702 63.100 -0.164 0.000 0.791 1205 P CB 1.077 32.705 31.700 -0.120 0.000 0.978 1206 V N 2.114 121.835 119.914 -0.322 0.000 2.461 1206 V HA 0.159 4.278 4.120 -0.001 0.000 0.275 1206 V C 0.562 176.288 176.094 -0.614 0.000 1.047 1206 V CA -0.179 61.787 62.300 -0.557 0.000 0.955 1206 V CB -0.528 30.943 31.823 -0.587 0.000 0.988 1206 V HN 0.505 nan 8.190 nan 0.000 0.471 1207 H N 4.349 122.848 119.070 -0.951 0.000 2.458 1207 H HA 0.499 5.054 4.556 -0.001 0.000 0.330 1207 H C -0.639 173.979 175.328 -1.184 0.000 1.111 1207 H CA -0.847 54.592 56.048 -1.014 0.000 1.245 1207 H CB 1.161 30.296 29.762 -1.044 0.000 1.456 1207 H HN 0.646 nan 8.280 nan 0.000 0.488 1208 H N 1.383 120.294 119.070 -0.266 0.000 2.492 1208 H HA 0.161 4.716 4.556 -0.001 0.000 0.345 1208 H C 0.463 175.791 175.328 0.001 0.000 1.136 1208 H CA -0.811 55.167 56.048 -0.118 0.000 1.202 1208 H CB 1.655 31.387 29.762 -0.049 0.000 1.524 1208 H HN 0.869 nan 8.280 nan 0.000 0.506 1209 G N 1.138 110.068 108.800 0.217 0.000 2.353 1209 G HA2 0.147 4.106 3.960 -0.001 0.000 0.239 1209 G HA3 0.147 4.106 3.960 -0.001 0.000 0.239 1209 G C 1.102 176.093 174.900 0.153 0.000 1.295 1209 G CA -0.386 44.829 45.100 0.191 0.000 0.884 1209 G HN 0.440 nan 8.290 nan 0.000 0.537 1210 V N 2.191 122.170 119.914 0.109 0.000 2.233 1210 V HA -0.254 3.866 4.120 -0.001 0.000 0.247 1210 V C 2.925 179.094 176.094 0.123 0.000 1.050 1210 V CA 2.260 64.612 62.300 0.086 0.000 1.010 1210 V CB -0.886 30.951 31.823 0.023 0.000 0.637 1210 V HN 0.896 nan 8.190 nan 0.000 0.444 1211 C N 0.610 119.979 119.300 0.114 0.000 2.466 1211 C HA -0.098 4.361 4.460 -0.001 0.000 0.278 1211 C C 3.391 178.516 174.990 0.225 0.000 1.288 1211 C CA 1.292 60.417 59.018 0.179 0.000 1.722 1211 C CB -1.020 26.816 27.740 0.161 0.000 2.017 1211 C HN 0.798 nan 8.230 nan 0.000 0.488 1212 S N 1.223 117.029 115.700 0.177 0.000 2.368 1212 S HA -0.161 4.309 4.470 -0.001 0.000 0.225 1212 S C 1.862 176.511 174.600 0.082 0.000 1.030 1212 S CA 2.011 60.279 58.200 0.112 0.000 0.999 1212 S CB -0.956 62.321 63.200 0.128 0.000 0.844 1212 S HN 0.839 nan 8.310 nan 0.000 0.459 1213 S N 0.079 115.848 115.700 0.114 0.000 2.383 1213 S HA -0.105 4.364 4.470 -0.001 0.000 0.227 1213 S C 1.521 176.168 174.600 0.079 0.000 1.026 1213 S CA 0.759 58.993 58.200 0.058 0.000 0.981 1213 S CB -1.137 62.101 63.200 0.064 0.000 0.818 1213 S HN 0.786 nan 8.310 nan 0.000 0.472 1214 W N 2.360 123.635 121.300 -0.043 0.000 2.355 1214 W HA 0.084 4.744 4.660 -0.001 0.000 0.309 1214 W C 1.797 178.269 176.519 -0.079 0.000 1.206 1214 W CA 1.104 58.415 57.345 -0.057 0.000 1.284 1214 W CB -0.565 28.874 29.460 -0.034 0.000 1.145 1214 W HN 0.259 nan 8.180 nan 0.000 0.502 1215 L N 0.624 121.818 121.223 -0.049 0.000 2.191 1215 L HA -0.233 4.106 4.340 -0.001 0.000 0.212 1215 L C 2.264 178.960 176.870 -0.290 0.000 1.103 1215 L CA 1.574 56.233 54.840 -0.302 0.000 0.769 1215 L CB -0.895 41.051 42.059 -0.188 0.000 0.908 1215 L HN 0.210 nan 8.230 nan 0.000 0.438 1216 N N -0.403 118.187 118.700 -0.182 0.000 2.467 1216 N HA -0.034 4.705 4.740 -0.001 0.000 0.184 1216 N C 1.728 177.130 175.510 -0.179 0.000 1.106 1216 N CA 0.095 53.050 53.050 -0.157 0.000 0.892 1216 N CB 0.323 38.749 38.487 -0.101 0.000 0.969 1216 N HN 0.341 nan 8.380 nan 0.000 0.454 1217 R N 0.225 120.583 120.500 -0.237 0.000 2.257 1217 R HA 0.204 4.543 4.340 -0.001 0.000 0.195 1217 R C 0.932 177.059 176.300 -0.289 0.000 0.921 1217 R CA -0.172 55.793 56.100 -0.226 0.000 1.069 1217 R CB 0.280 30.467 30.300 -0.188 0.000 1.115 1217 R HN 0.193 nan 8.270 nan 0.000 0.571 1218 I N 0.847 121.137 120.570 -0.467 0.000 2.948 1218 I HA -0.034 4.135 4.170 -0.001 0.000 0.290 1218 I C -0.353 175.590 176.117 -0.290 0.000 1.226 1218 I CA 0.272 61.298 61.300 -0.456 0.000 1.413 1218 I CB 0.332 37.892 38.000 -0.733 0.000 1.352 1218 I HN -0.006 nan 8.210 nan 0.000 0.597 1219 Q N 3.260 122.933 119.800 -0.212 0.000 2.248 1219 Q HA 0.624 4.963 4.340 -0.001 0.000 0.263 1219 Q C -0.277 175.641 176.000 -0.137 0.000 1.007 1219 Q CA -1.119 54.594 55.803 -0.150 0.000 0.877 1219 Q CB 1.951 30.627 28.738 -0.103 0.000 1.315 1219 Q HN 0.896 nan 8.270 nan 0.000 0.454 1220 A N 1.778 124.529 122.820 -0.114 0.000 2.584 1220 A HA 0.007 4.326 4.320 -0.001 0.000 0.239 1220 A C -0.067 177.471 177.584 -0.077 0.000 1.043 1220 A CA 0.675 52.654 52.037 -0.096 0.000 0.756 1220 A CB -0.130 18.824 19.000 -0.077 0.000 0.963 1220 A HN 0.920 nan 8.150 nan 0.000 0.511 1221 D N -0.323 120.034 120.400 -0.072 0.000 2.277 1221 D HA -0.110 4.529 4.640 -0.001 0.000 0.167 1221 D C -0.364 175.910 176.300 -0.044 0.000 0.974 1221 D CA 1.652 55.619 54.000 -0.054 0.000 1.013 1221 D CB -1.516 39.256 40.800 -0.046 0.000 1.086 1221 D HN 0.719 nan 8.370 nan 0.000 0.498 1222 D N 0.839 121.203 120.400 -0.060 0.000 2.472 1222 D HA 0.194 4.833 4.640 -0.001 0.000 0.237 1222 D C 0.439 176.734 176.300 -0.009 0.000 1.141 1222 D CA 0.088 54.065 54.000 -0.039 0.000 0.875 1222 D CB 0.802 41.548 40.800 -0.090 0.000 1.192 1222 D HN -0.090 nan 8.370 nan 0.000 0.450 1223 V N 2.921 122.861 119.914 0.043 0.000 2.521 1223 V HA 0.073 4.192 4.120 -0.001 0.000 0.286 1223 V C 0.384 176.578 176.094 0.165 0.000 1.034 1223 V CA -0.225 62.117 62.300 0.069 0.000 1.045 1223 V CB 1.191 33.038 31.823 0.040 0.000 0.974 1223 V HN 0.214 nan 8.190 nan 0.000 0.480 1224 V N 8.338 128.348 119.914 0.159 0.000 2.304 1224 V HA 0.306 4.425 4.120 -0.001 0.000 0.278 1224 V C -2.399 173.817 176.094 0.203 0.000 1.018 1224 V CA -1.868 60.606 62.300 0.290 0.000 0.814 1224 V CB 1.489 33.419 31.823 0.179 0.000 1.021 1224 V HN 0.756 nan 8.190 nan 0.000 0.440 1225 P HA 0.373 nan 4.420 nan 0.000 0.276 1225 P C -0.449 177.014 177.300 0.272 0.000 1.253 1225 P CA 0.015 63.217 63.100 0.171 0.000 0.766 1225 P CB 0.445 32.192 31.700 0.078 0.000 0.845 1226 C N 2.706 122.161 119.300 0.259 0.000 3.314 1226 C HA 0.904 5.363 4.460 -0.001 0.000 0.344 1226 C C -1.507 173.676 174.990 0.323 0.000 1.461 1226 C CA -1.156 57.990 59.018 0.212 0.000 1.249 1226 C CB 0.891 28.648 27.740 0.028 0.000 1.632 1226 C HN 0.575 nan 8.230 nan 0.000 0.452 1227 F N -1.582 118.414 119.950 0.076 0.000 2.678 1227 F HA 0.788 5.315 4.527 -0.001 0.000 0.308 1227 F C -1.301 174.554 175.800 0.092 0.000 1.118 1227 F CA -1.289 56.769 58.000 0.096 0.000 0.959 1227 F CB 0.704 39.780 39.000 0.127 0.000 1.305 1227 F HN 0.537 nan 8.300 nan 0.000 0.443 1228 V N 2.523 122.575 119.914 0.230 0.000 2.465 1228 V HA 0.512 4.632 4.120 -0.001 0.000 0.279 1228 V C -0.233 176.033 176.094 0.286 0.000 1.045 1228 V CA -0.579 61.814 62.300 0.155 0.000 0.938 1228 V CB 1.425 33.357 31.823 0.181 0.000 0.986 1228 V HN 0.827 nan 8.190 nan 0.000 0.467 1229 R N 3.346 123.989 120.500 0.239 0.000 2.320 1229 R HA 0.522 4.861 4.340 -0.001 0.000 0.319 1229 R C 0.312 176.745 176.300 0.222 0.000 0.969 1229 R CA -0.400 55.873 56.100 0.289 0.000 0.857 1229 R CB 1.138 31.627 30.300 0.315 0.000 1.160 1229 R HN 0.913 nan 8.270 nan 0.000 0.491 1230 G N 1.970 110.895 108.800 0.207 0.000 2.484 1230 G HA2 0.311 4.270 3.960 -0.001 0.000 0.235 1230 G HA3 0.311 4.270 3.960 -0.001 0.000 0.235 1230 G C -0.374 174.617 174.900 0.152 0.000 1.282 1230 G CA -0.201 45.022 45.100 0.206 0.000 0.857 1230 G HN 0.656 nan 8.290 nan 0.000 0.571 1231 A N 4.209 127.094 122.820 0.109 0.000 2.938 1231 A HA 0.624 4.944 4.320 -0.001 0.000 0.344 1231 A C -0.876 176.523 177.584 -0.309 0.000 1.142 1231 A CA -1.120 50.920 52.037 0.006 0.000 0.841 1231 A CB 1.253 20.270 19.000 0.029 0.000 1.083 1231 A HN 0.492 nan 8.150 nan 0.000 0.479 1232 P HA -0.136 nan 4.420 nan 0.000 0.218 1232 P C 0.912 178.119 177.300 -0.156 0.000 1.146 1232 P CA 1.372 64.314 63.100 -0.263 0.000 0.813 1232 P CB 0.292 31.981 31.700 -0.020 0.000 0.778 1233 S N -1.873 113.833 115.700 0.010 0.000 2.597 1233 S HA 0.204 4.673 4.470 -0.001 0.000 0.224 1233 S C 0.369 175.230 174.600 0.435 0.000 0.955 1233 S CA -0.297 58.022 58.200 0.198 0.000 0.933 1233 S CB -0.621 62.686 63.200 0.179 0.000 0.788 1233 S HN 0.102 nan 8.310 nan 0.000 0.488 1234 F N 2.009 122.028 119.950 0.116 0.000 2.677 1234 F HA 0.367 4.893 4.527 -0.001 0.000 0.388 1234 F C 0.149 176.205 175.800 0.427 0.000 1.400 1234 F CA -0.517 57.664 58.000 0.302 0.000 1.162 1234 F CB 0.407 39.552 39.000 0.240 0.000 1.135 1234 F HN 0.176 nan 8.300 nan 0.000 0.516 1235 H N 0.048 119.267 119.070 0.248 0.000 2.567 1235 H HA 0.503 5.058 4.556 -0.001 0.000 0.345 1235 H C -0.121 175.094 175.328 -0.187 0.000 1.169 1235 H CA -1.313 54.781 56.048 0.077 0.000 1.227 1235 H CB 1.937 31.735 29.762 0.058 0.000 1.607 1235 H HN 0.004 nan 8.280 nan 0.000 0.534 1236 L N 2.297 123.272 121.223 -0.414 0.000 2.482 1236 L HA 0.079 4.418 4.340 -0.001 0.000 0.273 1236 L C -1.999 174.710 176.870 -0.268 0.000 1.228 1236 L CA -1.624 52.853 54.840 -0.605 0.000 0.827 1236 L CB -0.010 41.632 42.059 -0.696 0.000 1.099 1236 L HN 0.398 nan 8.230 nan 0.000 0.494 1237 P HA 0.137 nan 4.420 nan 0.000 0.274 1237 P C -0.118 177.104 177.300 -0.131 0.000 1.231 1237 P CA -0.511 62.439 63.100 -0.250 0.000 0.790 1237 P CB 0.580 31.987 31.700 -0.489 0.000 0.951 1238 R N 0.811 121.284 120.500 -0.045 0.000 2.115 1238 R HA -0.036 4.304 4.340 -0.001 0.000 0.230 1238 R C 0.617 176.896 176.300 -0.035 0.000 1.111 1238 R CA 0.981 57.064 56.100 -0.028 0.000 0.976 1238 R CB -1.067 29.239 30.300 0.010 0.000 0.870 1238 R HN 0.480 nan 8.270 nan 0.000 0.445 1239 N N 1.734 120.418 118.700 -0.026 0.000 2.406 1239 N HA 0.087 4.826 4.740 -0.001 0.000 0.251 1239 N C -2.076 173.405 175.510 -0.047 0.000 1.069 1239 N CA -2.046 50.994 53.050 -0.018 0.000 0.947 1239 N CB 1.443 39.941 38.487 0.019 0.000 1.111 1239 N HN -0.148 nan 8.380 nan 0.000 0.497 1240 P HA 0.002 nan 4.420 nan 0.000 0.233 1240 P C 0.619 177.891 177.300 -0.046 0.000 1.167 1240 P CA 0.735 63.796 63.100 -0.066 0.000 0.770 1240 P CB 0.460 32.125 31.700 -0.060 0.000 0.837 1241 Q N -0.602 119.184 119.800 -0.023 0.000 2.425 1241 Q HA 0.068 4.407 4.340 -0.001 0.000 0.204 1241 Q C 0.812 176.818 176.000 0.010 0.000 0.933 1241 Q CA 0.306 56.104 55.803 -0.007 0.000 0.939 1241 Q CB -0.296 28.441 28.738 -0.000 0.000 1.044 1241 Q HN 0.240 nan 8.270 nan 0.000 0.513 1242 V N -0.090 119.837 119.914 0.021 0.000 2.567 1242 V HA 0.482 4.601 4.120 -0.001 0.000 0.289 1242 V C -2.361 173.770 176.094 0.061 0.000 1.049 1242 V CA -2.344 59.993 62.300 0.062 0.000 0.969 1242 V CB 1.004 32.904 31.823 0.129 0.000 0.995 1242 V HN -0.074 nan 8.190 nan 0.000 0.471 1243 P HA 0.269 nan 4.420 nan 0.000 0.271 1243 P C -0.705 176.672 177.300 0.128 0.000 1.216 1243 P CA -0.097 63.052 63.100 0.083 0.000 0.771 1243 P CB 0.865 32.612 31.700 0.078 0.000 0.864 1244 C N 4.399 123.764 119.300 0.108 0.000 2.455 1244 C HA 0.571 5.030 4.460 -0.001 0.000 0.320 1244 C C 0.472 175.550 174.990 0.147 0.000 1.226 1244 C CA -0.476 58.640 59.018 0.163 0.000 1.569 1244 C CB 0.499 28.284 27.740 0.076 0.000 2.200 1244 C HN 0.479 nan 8.230 nan 0.000 0.491 1245 I N 4.012 124.685 120.570 0.172 0.000 2.389 1245 I HA 0.404 4.573 4.170 -0.001 0.000 0.288 1245 I C -0.663 175.490 176.117 0.059 0.000 0.999 1245 I CA -0.247 61.117 61.300 0.107 0.000 1.129 1245 I CB 1.011 39.059 38.000 0.080 0.000 1.288 1245 I HN 0.412 nan 8.210 nan 0.000 0.444 1246 L N 7.055 128.221 121.223 -0.095 0.000 2.287 1246 L HA 0.567 4.906 4.340 -0.001 0.000 0.287 1246 L C -0.613 176.058 176.870 -0.332 0.000 1.022 1246 L CA -0.890 53.637 54.840 -0.521 0.000 0.814 1246 L CB 1.621 43.049 42.059 -1.051 0.000 1.217 1246 L HN 0.269 nan 8.230 nan 0.000 0.420 1247 V N 2.259 122.112 119.914 -0.101 0.000 2.349 1247 V HA 0.668 4.787 4.120 -0.001 0.000 0.284 1247 V C 0.386 176.720 176.094 0.399 0.000 1.014 1247 V CA -0.333 62.040 62.300 0.123 0.000 0.826 1247 V CB 1.431 33.315 31.823 0.102 0.000 1.009 1247 V HN 0.929 nan 8.190 nan 0.000 0.431 1248 G N 6.319 115.382 108.800 0.438 0.000 3.025 1248 G HA2 0.498 4.458 3.960 -0.001 0.000 0.305 1248 G HA3 0.498 4.458 3.960 -0.001 0.000 0.305 1248 G C -3.051 172.047 174.900 0.330 0.000 1.568 1248 G CA -0.946 44.434 45.100 0.466 0.000 0.916 1248 G HN 0.461 nan 8.290 nan 0.000 0.502 1249 P HA 0.420 nan 4.420 nan 0.000 0.274 1249 P C 1.142 178.411 177.300 -0.052 0.000 1.231 1249 P CA 1.143 64.138 63.100 -0.174 0.000 0.790 1249 P CB 1.857 33.407 31.700 -0.250 0.000 0.951 1250 G N 2.653 111.384 108.800 -0.115 0.000 2.596 1250 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.295 1250 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.295 1250 G C 1.004 176.110 174.900 0.342 0.000 1.240 1250 G CA 0.844 46.029 45.100 0.141 0.000 0.985 1250 G HN 0.476 nan 8.290 nan 0.000 0.555 1251 T N 1.694 116.407 114.554 0.265 0.000 3.025 1251 T HA 0.156 4.506 4.350 -0.001 0.000 0.270 1251 T C 2.321 177.231 174.700 0.349 0.000 1.126 1251 T CA 1.827 64.132 62.100 0.342 0.000 1.105 1251 T CB -0.505 68.590 68.868 0.377 0.000 0.884 1251 T HN 1.369 nan 8.240 nan 0.000 0.522 1252 G N 1.072 109.952 108.800 0.133 0.000 2.586 1252 G HA2 -0.086 3.873 3.960 -0.001 0.000 0.215 1252 G HA3 -0.086 3.873 3.960 -0.001 0.000 0.215 1252 G C 1.336 176.266 174.900 0.051 0.000 1.128 1252 G CA -0.049 44.978 45.100 -0.121 0.000 0.774 1252 G HN 0.556 nan 8.290 nan 0.000 0.543 1253 I N 0.375 121.122 120.570 0.295 0.000 2.928 1253 I HA 0.052 4.221 4.170 -0.001 0.000 0.266 1253 I C 2.855 179.044 176.117 0.121 0.000 1.234 1253 I CA 0.690 62.217 61.300 0.378 0.000 1.483 1253 I CB -0.001 38.286 38.000 0.478 0.000 1.097 1253 I HN 0.235 nan 8.210 nan 0.000 0.455 1254 A N 2.787 125.674 122.820 0.112 0.000 1.882 1254 A HA -0.229 4.090 4.320 -0.001 0.000 0.220 1254 A C 0.015 177.477 177.584 -0.204 0.000 1.253 1254 A CA 2.569 54.627 52.037 0.035 0.000 0.664 1254 A CB -2.365 16.742 19.000 0.177 0.000 0.838 1254 A HN 0.409 nan 8.150 nan 0.000 0.460 1255 P HA -0.101 nan 4.420 nan 0.000 0.221 1255 P C 0.950 177.850 177.300 -0.666 0.000 1.150 1255 P CA 0.947 63.746 63.100 -0.502 0.000 0.800 1255 P CB -0.261 31.114 31.700 -0.541 0.000 0.787 1256 F N 0.596 120.304 119.950 -0.404 0.000 2.502 1256 F HA 0.068 4.594 4.527 -0.001 0.000 0.298 1256 F C 2.754 178.246 175.800 -0.515 0.000 1.111 1256 F CA 0.243 58.030 58.000 -0.355 0.000 1.445 1256 F CB -1.305 37.719 39.000 0.040 0.000 1.081 1256 F HN -0.106 nan 8.300 nan 0.000 0.558 1257 R N 0.571 120.577 120.500 -0.823 0.000 2.090 1257 R HA -0.123 4.216 4.340 -0.001 0.000 0.228 1257 R C 2.457 178.144 176.300 -1.022 0.000 1.110 1257 R CA 1.474 56.475 56.100 -1.832 0.000 0.973 1257 R CB -0.223 29.281 30.300 -1.326 0.000 0.869 1257 R HN 0.311 nan 8.270 nan 0.000 0.440 1258 S N -0.387 115.040 115.700 -0.454 0.000 2.383 1258 S HA -0.101 4.368 4.470 -0.001 0.000 0.227 1258 S C 1.937 176.574 174.600 0.061 0.000 1.026 1258 S CA 0.780 58.891 58.200 -0.148 0.000 0.981 1258 S CB -0.615 62.583 63.200 -0.004 0.000 0.818 1258 S HN 0.407 nan 8.310 nan 0.000 0.472 1259 F N 1.039 120.903 119.950 -0.142 0.000 2.102 1259 F HA -0.055 4.471 4.527 -0.001 0.000 0.298 1259 F C 2.522 178.315 175.800 -0.011 0.000 1.105 1259 F CA 1.018 58.984 58.000 -0.056 0.000 1.239 1259 F CB -0.425 38.592 39.000 0.028 0.000 0.991 1259 F HN 0.484 nan 8.300 nan 0.000 0.474 1260 W N 1.140 122.565 121.300 0.208 0.000 2.467 1260 W HA -0.051 4.608 4.660 -0.001 0.000 0.275 1260 W C 1.771 178.313 176.519 0.038 0.000 1.239 1260 W CA 0.547 57.907 57.345 0.026 0.000 1.266 1260 W CB -1.309 28.235 29.460 0.141 0.000 1.112 1260 W HN 0.060 nan 8.180 nan 0.000 0.576 1261 Q N 0.426 120.316 119.800 0.150 0.000 2.083 1261 Q HA -0.233 4.107 4.340 -0.001 0.000 0.198 1261 Q C 2.318 178.403 176.000 0.142 0.000 0.969 1261 Q CA 1.777 57.691 55.803 0.184 0.000 0.838 1261 Q CB -0.332 28.445 28.738 0.066 0.000 0.900 1261 Q HN 0.329 nan 8.270 nan 0.000 0.436 1262 Q N 0.619 120.462 119.800 0.072 0.000 2.079 1262 Q HA -0.123 4.216 4.340 -0.001 0.000 0.200 1262 Q C 1.891 177.944 176.000 0.087 0.000 0.974 1262 Q CA 1.409 57.239 55.803 0.045 0.000 0.840 1262 Q CB 0.115 28.831 28.738 -0.035 0.000 0.898 1262 Q HN 0.071 nan 8.270 nan 0.000 0.430 1263 R N -0.013 120.511 120.500 0.040 0.000 2.092 1263 R HA -0.120 4.219 4.340 -0.001 0.000 0.231 1263 R C 2.133 178.456 176.300 0.038 0.000 1.119 1263 R CA 1.575 57.672 56.100 -0.005 0.000 0.970 1263 R CB -0.499 29.746 30.300 -0.091 0.000 0.864 1263 R HN 0.580 nan 8.270 nan 0.000 0.440 1264 Q N -0.466 119.394 119.800 0.099 0.000 2.079 1264 Q HA -0.158 4.181 4.340 -0.001 0.000 0.200 1264 Q C 1.913 177.995 176.000 0.137 0.000 0.974 1264 Q CA 1.434 57.302 55.803 0.108 0.000 0.840 1264 Q CB -0.214 28.623 28.738 0.167 0.000 0.898 1264 Q HN 0.261 nan 8.270 nan 0.000 0.430 1265 F N 1.566 121.543 119.950 0.045 0.000 2.134 1265 F HA -0.203 4.324 4.527 -0.001 0.000 0.299 1265 F C 1.553 177.389 175.800 0.060 0.000 1.097 1265 F CA 1.816 59.850 58.000 0.057 0.000 1.264 1265 F CB -0.123 38.842 39.000 -0.058 0.000 1.001 1265 F HN 0.148 nan 8.300 nan 0.000 0.479 1266 D N 0.688 121.169 120.400 0.136 0.000 2.144 1266 D HA -0.185 4.454 4.640 -0.001 0.000 0.199 1266 D C 2.422 178.676 176.300 -0.076 0.000 0.984 1266 D CA 1.689 55.702 54.000 0.023 0.000 0.834 1266 D CB -0.330 40.494 40.800 0.039 0.000 0.955 1266 D HN 0.377 nan 8.370 nan 0.000 0.465 1267 I N 0.647 121.182 120.570 -0.059 0.000 2.162 1267 I HA -0.237 3.932 4.170 -0.001 0.000 0.238 1267 I C 2.369 178.413 176.117 -0.121 0.000 1.076 1267 I CA 1.026 62.280 61.300 -0.076 0.000 1.353 1267 I CB -0.173 37.796 38.000 -0.053 0.000 1.063 1267 I HN -0.058 nan 8.210 nan 0.000 0.408 1268 Q N -0.565 119.153 119.800 -0.136 0.000 2.245 1268 Q HA -0.098 4.241 4.340 -0.001 0.000 0.201 1268 Q C 1.798 177.541 176.000 -0.428 0.000 0.955 1268 Q CA 0.944 56.608 55.803 -0.231 0.000 0.870 1268 Q CB 0.114 28.742 28.738 -0.183 0.000 0.945 1268 Q HN 0.648 nan 8.270 nan 0.000 0.461 1269 H N -0.498 118.284 119.070 -0.479 0.000 2.681 1269 H HA 0.194 4.749 4.556 -0.001 0.000 0.268 1269 H C 1.064 176.138 175.328 -0.422 0.000 0.967 1269 H CA 0.403 56.105 56.048 -0.576 0.000 1.233 1269 H CB 0.764 29.818 29.762 -1.180 0.000 1.445 1269 H HN 0.056 nan 8.280 nan 0.000 0.494 1270 K N 0.349 120.594 120.400 -0.259 0.000 2.358 1270 K HA 0.141 4.460 4.320 -0.001 0.000 0.197 1270 K C 0.847 177.390 176.600 -0.095 0.000 1.025 1270 K CA 0.329 56.538 56.287 -0.130 0.000 1.104 1270 K CB 1.174 33.634 32.500 -0.067 0.000 0.855 1270 K HN 0.275 nan 8.250 nan 0.000 0.531 1271 G N 2.249 110.981 108.800 -0.114 0.000 2.179 1271 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.257 1271 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.257 1271 G C 0.098 174.958 174.900 -0.066 0.000 1.010 1271 G CA 0.392 45.440 45.100 -0.087 0.000 0.736 1271 G HN 0.179 nan 8.290 nan 0.000 0.513 1272 M N -0.670 118.891 119.600 -0.065 0.000 2.291 1272 M HA 0.395 4.874 4.480 -0.001 0.000 0.324 1272 M C 0.517 176.787 176.300 -0.050 0.000 1.148 1272 M CA -0.068 55.202 55.300 -0.050 0.000 1.104 1272 M CB 0.784 33.357 32.600 -0.045 0.000 1.483 1272 M HN 0.119 nan 8.290 nan 0.000 0.467 1273 N N 1.506 120.180 118.700 -0.043 0.000 2.765 1273 N HA 0.288 5.027 4.740 -0.001 0.000 0.277 1273 N C -2.557 172.930 175.510 -0.039 0.000 1.750 1273 N CA -0.942 52.084 53.050 -0.040 0.000 0.827 1273 N CB 0.606 39.073 38.487 -0.033 0.000 1.200 1273 N HN 0.350 nan 8.380 nan 0.000 0.494 1274 P HA 0.023 nan 4.420 nan 0.000 0.272 1274 P C 0.091 177.363 177.300 -0.047 0.000 1.230 1274 P CA -0.365 62.702 63.100 -0.054 0.000 0.788 1274 P CB 0.930 32.584 31.700 -0.076 0.000 0.949 1275 C N 3.717 122.993 119.300 -0.038 0.000 2.648 1275 C HA 0.215 4.674 4.460 -0.001 0.000 0.415 1275 C C -2.042 172.930 174.990 -0.031 0.000 1.366 1275 C CA -1.220 57.786 59.018 -0.021 0.000 1.756 1275 C CB -1.388 26.350 27.740 -0.004 0.000 2.549 1275 C HN 0.419 nan 8.230 nan 0.000 0.597 1276 P HA 0.095 nan 4.420 nan 0.000 0.265 1276 P C -0.116 177.194 177.300 0.016 0.000 1.193 1276 P CA 0.753 63.842 63.100 -0.018 0.000 0.765 1276 P CB 0.366 32.076 31.700 0.017 0.000 0.823 1277 M N 1.335 120.928 119.600 -0.011 0.000 2.363 1277 M HA 0.433 4.912 4.480 -0.001 0.000 0.280 1277 M C -0.247 176.261 176.300 0.346 0.000 1.182 1277 M CA -0.783 54.578 55.300 0.102 0.000 0.974 1277 M CB 0.785 33.386 32.600 0.002 0.000 1.452 1277 M HN -0.030 nan 8.290 nan 0.000 0.507 1278 V N 1.604 121.730 119.914 0.353 0.000 2.588 1278 V HA 0.477 4.596 4.120 -0.001 0.000 0.304 1278 V C -1.205 175.020 176.094 0.218 0.000 1.042 1278 V CA -0.805 61.684 62.300 0.315 0.000 0.877 1278 V CB 2.063 34.017 31.823 0.219 0.000 0.996 1278 V HN 0.572 nan 8.190 nan 0.000 0.425 1279 L N 6.021 127.239 121.223 -0.008 0.000 2.322 1279 L HA 0.758 5.097 4.340 -0.001 0.000 0.281 1279 L C -0.707 176.178 176.870 0.025 0.000 1.014 1279 L CA -0.052 54.696 54.840 -0.154 0.000 0.815 1279 L CB 1.885 43.551 42.059 -0.654 0.000 1.247 1279 L HN 0.434 nan 8.230 nan 0.000 0.421 1280 V N 6.257 126.203 119.914 0.054 0.000 2.325 1280 V HA 0.386 4.505 4.120 -0.001 0.000 0.280 1280 V C -0.459 175.726 176.094 0.151 0.000 1.016 1280 V CA -0.426 61.932 62.300 0.097 0.000 0.818 1280 V CB 0.721 32.554 31.823 0.017 0.000 1.019 1280 V HN 0.657 nan 8.190 nan 0.000 0.434 1281 F N 3.253 123.192 119.950 -0.018 0.000 2.509 1281 F HA 0.964 5.491 4.527 -0.001 0.000 0.334 1281 F C 0.483 176.227 175.800 -0.093 0.000 1.060 1281 F CA -0.629 57.357 58.000 -0.024 0.000 0.997 1281 F CB 2.176 41.154 39.000 -0.036 0.000 1.271 1281 F HN 0.532 nan 8.300 nan 0.000 0.488 1282 G N 0.645 108.709 108.800 -1.226 0.000 2.742 1282 G HA2 0.607 4.566 3.960 -0.001 0.000 0.296 1282 G HA3 0.607 4.566 3.960 -0.001 0.000 0.296 1282 G C -1.804 172.456 174.900 -1.067 0.000 1.436 1282 G CA -0.276 44.299 45.100 -0.876 0.000 0.928 1282 G HN 1.364 nan 8.290 nan 0.000 0.520 1283 C N -0.005 118.980 119.300 -0.525 0.000 3.272 1283 C HA 0.661 5.121 4.460 -0.001 0.000 0.363 1283 C C 1.217 176.237 174.990 0.050 0.000 1.514 1283 C CA -0.844 58.042 59.018 -0.221 0.000 1.185 1283 C CB 0.916 28.590 27.740 -0.110 0.000 1.716 1283 C HN 0.916 nan 8.230 nan 0.000 0.440 1284 R N 0.529 121.084 120.500 0.093 0.000 2.055 1284 R HA 0.160 4.500 4.340 -0.001 0.000 0.228 1284 R C 0.318 176.689 176.300 0.118 0.000 1.143 1284 R CA 1.297 57.462 56.100 0.109 0.000 0.945 1284 R CB -0.146 30.198 30.300 0.073 0.000 0.841 1284 R HN 0.764 nan 8.270 nan 0.000 0.429 1285 Q N -1.157 118.692 119.800 0.082 0.000 2.379 1285 Q HA 0.173 4.512 4.340 -0.001 0.000 0.278 1285 Q C 0.366 176.293 176.000 -0.121 0.000 1.068 1285 Q CA -0.267 55.474 55.803 -0.104 0.000 0.816 1285 Q CB 2.255 30.947 28.738 -0.076 0.000 1.387 1285 Q HN 0.115 nan 8.270 nan 0.000 0.413 1286 S N 0.988 116.386 115.700 -0.504 0.000 2.383 1286 S HA -0.163 4.306 4.470 -0.001 0.000 0.229 1286 S C 1.086 175.703 174.600 0.028 0.000 1.030 1286 S CA 1.129 59.235 58.200 -0.156 0.000 1.002 1286 S CB -0.090 62.937 63.200 -0.289 0.000 0.829 1286 S HN 0.527 nan 8.310 nan 0.000 0.467 1287 K N -0.065 120.313 120.400 -0.038 0.000 2.404 1287 K HA 0.298 4.617 4.320 -0.001 0.000 0.194 1287 K C 0.847 177.462 176.600 0.025 0.000 1.023 1287 K CA 0.026 56.312 56.287 -0.001 0.000 1.094 1287 K CB 0.148 32.634 32.500 -0.024 0.000 0.841 1287 K HN 0.377 nan 8.250 nan 0.000 0.523 1288 I N 0.876 121.474 120.570 0.047 0.000 3.345 1288 I HA -0.068 4.101 4.170 -0.001 0.000 0.258 1288 I C 0.653 176.827 176.117 0.094 0.000 1.134 1288 I CA 0.994 62.328 61.300 0.058 0.000 1.457 1288 I CB -0.268 37.759 38.000 0.045 0.000 1.425 1288 I HN 0.102 nan 8.210 nan 0.000 0.461 1289 D N -0.877 119.609 120.400 0.144 0.000 2.720 1289 D HA 0.022 4.661 4.640 -0.001 0.000 0.285 1289 D C 0.440 176.933 176.300 0.321 0.000 1.359 1289 D CA -0.267 53.842 54.000 0.182 0.000 0.818 1289 D CB -1.335 39.554 40.800 0.148 0.000 1.108 1289 D HN 0.351 nan 8.370 nan 0.000 0.474 1290 H N 1.828 121.044 119.070 0.243 0.000 2.855 1290 H HA 0.246 4.801 4.556 -0.001 0.000 0.238 1290 H C 0.785 176.193 175.328 0.135 0.000 1.847 1290 H CA -0.711 55.552 56.048 0.358 0.000 1.368 1290 H CB -0.183 29.796 29.762 0.360 0.000 1.758 1290 H HN 0.271 nan 8.280 nan 0.000 0.546 1291 I N -0.218 120.507 120.570 0.258 0.000 2.813 1291 I HA -0.080 4.089 4.170 -0.001 0.000 0.287 1291 I C -0.145 175.933 176.117 -0.066 0.000 1.196 1291 I CA -0.524 60.739 61.300 -0.062 0.000 1.421 1291 I CB 0.241 38.103 38.000 -0.231 0.000 1.365 1291 I HN 0.569 nan 8.210 nan 0.000 0.591 1292 Y N 1.934 122.239 120.300 0.008 0.000 4.324 1292 Y HA -0.277 4.272 4.550 -0.001 0.000 0.224 1292 Y C 1.874 177.713 175.900 -0.103 0.000 1.113 1292 Y CA 1.186 59.285 58.100 -0.002 0.000 1.887 1292 Y CB -2.126 36.432 38.460 0.163 0.000 1.602 1292 Y HN 0.701 nan 8.280 nan 0.000 0.654 1293 R N 0.802 121.270 120.500 -0.053 0.000 2.094 1293 R HA -0.273 4.066 4.340 -0.001 0.000 0.239 1293 R C 2.099 178.285 176.300 -0.190 0.000 1.137 1293 R CA 2.201 58.145 56.100 -0.260 0.000 0.943 1293 R CB -0.150 29.828 30.300 -0.537 0.000 0.850 1293 R HN 0.389 nan 8.270 nan 0.000 0.433 1294 E N 0.562 120.692 120.200 -0.115 0.000 2.110 1294 E HA -0.181 4.168 4.350 -0.001 0.000 0.193 1294 E C 1.609 178.161 176.600 -0.081 0.000 0.988 1294 E CA 1.788 58.136 56.400 -0.086 0.000 0.804 1294 E CB 0.013 29.687 29.700 -0.044 0.000 0.745 1294 E HN 0.473 nan 8.360 nan 0.000 0.458 1295 E N -0.628 119.546 120.200 -0.042 0.000 2.051 1295 E HA -0.173 4.177 4.350 -0.001 0.000 0.192 1295 E C 2.105 178.505 176.600 -0.332 0.000 0.991 1295 E CA 1.831 58.204 56.400 -0.045 0.000 0.799 1295 E CB -0.274 29.525 29.700 0.166 0.000 0.748 1295 E HN 0.533 nan 8.360 nan 0.000 0.449 1296 T N 0.144 114.383 114.554 -0.525 0.000 2.867 1296 T HA -0.100 4.249 4.350 -0.001 0.000 0.268 1296 T C 1.981 176.443 174.700 -0.396 0.000 1.057 1296 T CA 0.446 62.080 62.100 -0.777 0.000 1.136 1296 T CB -0.167 68.256 68.868 -0.742 0.000 0.874 1296 T HN 0.002 nan 8.240 nan 0.000 0.466 1297 L N 0.561 121.628 121.223 -0.260 0.000 2.017 1297 L HA -0.079 4.260 4.340 -0.001 0.000 0.208 1297 L C 2.961 179.764 176.870 -0.111 0.000 1.073 1297 L CA 1.856 56.599 54.840 -0.161 0.000 0.745 1297 L CB -0.892 41.090 42.059 -0.127 0.000 0.894 1297 L HN 0.363 nan 8.230 nan 0.000 0.432 1298 Q N -0.708 119.029 119.800 -0.104 0.000 2.119 1298 Q HA -0.106 4.233 4.340 -0.001 0.000 0.201 1298 Q C 2.228 178.201 176.000 -0.045 0.000 0.972 1298 Q CA 1.519 57.289 55.803 -0.055 0.000 0.847 1298 Q CB -0.351 28.373 28.738 -0.024 0.000 0.903 1298 Q HN 0.520 nan 8.270 nan 0.000 0.433 1299 A N 1.440 124.202 122.820 -0.097 0.000 1.933 1299 A HA -0.201 4.118 4.320 -0.001 0.000 0.218 1299 A C 2.144 179.750 177.584 0.036 0.000 1.175 1299 A CA 1.752 53.762 52.037 -0.046 0.000 0.628 1299 A CB -0.426 18.467 19.000 -0.177 0.000 0.814 1299 A HN 0.314 nan 8.150 nan 0.000 0.444 1300 K N -0.287 120.155 120.400 0.070 0.000 2.026 1300 K HA -0.198 4.121 4.320 -0.001 0.000 0.208 1300 K C 1.502 178.117 176.600 0.026 0.000 1.048 1300 K CA 1.630 57.974 56.287 0.095 0.000 0.929 1300 K CB -0.266 32.250 32.500 0.027 0.000 0.713 1300 K HN 0.387 nan 8.250 nan 0.000 0.439 1301 N N 1.238 119.935 118.700 -0.005 0.000 2.272 1301 N HA -0.126 4.613 4.740 -0.001 0.000 0.185 1301 N C 0.746 176.251 175.510 -0.008 0.000 1.014 1301 N CA 1.155 54.199 53.050 -0.011 0.000 0.870 1301 N CB 0.034 38.510 38.487 -0.018 0.000 0.975 1301 N HN 0.314 nan 8.380 nan 0.000 0.433 1302 K N -0.399 119.998 120.400 -0.006 0.000 2.437 1302 K HA 0.209 4.528 4.320 -0.001 0.000 0.198 1302 K C 0.721 177.311 176.600 -0.018 0.000 1.024 1302 K CA 0.281 56.562 56.287 -0.010 0.000 1.148 1302 K CB 0.487 32.987 32.500 -0.000 0.000 0.860 1302 K HN 0.154 nan 8.250 nan 0.000 0.515 1303 G N 0.665 109.457 108.800 -0.013 0.000 2.157 1303 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.248 1303 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.248 1303 G C 0.845 175.713 174.900 -0.053 0.000 0.979 1303 G CA 0.291 45.378 45.100 -0.022 0.000 0.650 1303 G HN 0.149 nan 8.290 nan 0.000 0.529 1304 V N -0.746 119.115 119.914 -0.088 0.000 2.379 1304 V HA 0.253 4.373 4.120 -0.001 0.000 0.245 1304 V C 1.166 177.026 176.094 -0.389 0.000 1.044 1304 V CA 1.658 63.807 62.300 -0.251 0.000 1.036 1304 V CB -0.348 31.286 31.823 -0.315 0.000 0.664 1304 V HN 0.295 nan 8.190 nan 0.000 0.453 1305 F N -0.910 119.030 119.950 -0.016 0.000 2.508 1305 F HA 0.522 5.048 4.527 -0.001 0.000 0.325 1305 F C 1.031 176.819 175.800 -0.020 0.000 1.090 1305 F CA -0.921 57.069 58.000 -0.017 0.000 0.945 1305 F CB 1.526 40.497 39.000 -0.049 0.000 1.156 1305 F HN -0.287 nan 8.300 nan 0.000 0.463 1306 R N 0.649 121.274 120.500 0.208 0.000 2.100 1306 R HA 0.118 4.458 4.340 -0.001 0.000 0.220 1306 R C -0.300 176.051 176.300 0.084 0.000 1.091 1306 R CA 1.156 57.325 56.100 0.115 0.000 0.986 1306 R CB 0.324 30.688 30.300 0.107 0.000 0.888 1306 R HN 0.727 nan 8.270 nan 0.000 0.444 1307 E N -0.684 119.577 120.200 0.101 0.000 2.392 1307 E HA 0.412 4.761 4.350 -0.001 0.000 0.279 1307 E C -1.949 174.560 176.600 -0.152 0.000 0.964 1307 E CA -0.564 55.798 56.400 -0.063 0.000 0.777 1307 E CB 1.745 31.413 29.700 -0.053 0.000 1.249 1307 E HN 0.106 nan 8.360 nan 0.000 0.449 1308 L N 3.106 124.104 121.223 -0.375 0.000 2.365 1308 L HA 0.619 4.958 4.340 -0.001 0.000 0.273 1308 L C -1.164 175.420 176.870 -0.476 0.000 1.000 1308 L CA -0.916 53.714 54.840 -0.351 0.000 0.819 1308 L CB 1.208 43.078 42.059 -0.315 0.000 1.284 1308 L HN 0.571 nan 8.230 nan 0.000 0.418 1309 Y N 0.172 120.422 120.300 -0.084 0.000 2.477 1309 Y HA 0.566 5.115 4.550 -0.001 0.000 0.347 1309 Y C -0.091 175.773 175.900 -0.061 0.000 0.981 1309 Y CA -0.759 57.307 58.100 -0.057 0.000 1.033 1309 Y CB 2.688 41.121 38.460 -0.045 0.000 1.245 1309 Y HN 0.346 nan 8.280 nan 0.000 0.455 1310 T N 2.296 116.854 114.554 0.007 0.000 2.937 1310 T HA 0.665 5.014 4.350 -0.001 0.000 0.297 1310 T C -0.856 173.608 174.700 -0.393 0.000 0.991 1310 T CA -0.735 61.233 62.100 -0.220 0.000 0.990 1310 T CB 1.023 69.661 68.868 -0.383 0.000 0.991 1310 T HN 0.713 nan 8.240 nan 0.000 0.440 1311 A N 3.840 126.455 122.820 -0.343 0.000 2.260 1311 A HA 0.650 4.969 4.320 -0.001 0.000 0.312 1311 A C -0.814 176.619 177.584 -0.252 0.000 1.321 1311 A CA -0.478 51.424 52.037 -0.225 0.000 0.928 1311 A CB -0.078 18.877 19.000 -0.074 0.000 1.158 1311 A HN 0.881 nan 8.150 nan 0.000 0.542 1312 Y N 2.006 122.301 120.300 -0.009 0.000 2.313 1312 Y HA 0.237 4.786 4.550 -0.001 0.000 0.332 1312 Y C 1.654 177.559 175.900 0.010 0.000 1.071 1312 Y CA 0.222 58.316 58.100 -0.012 0.000 1.169 1312 Y CB 1.702 40.169 38.460 0.011 0.000 1.192 1312 Y HN 0.831 nan 8.280 nan 0.000 0.487 1313 S N 2.207 118.024 115.700 0.195 0.000 2.483 1313 S HA 0.124 4.593 4.470 -0.001 0.000 0.221 1313 S C 0.853 175.500 174.600 0.079 0.000 1.030 1313 S CA -0.090 58.188 58.200 0.130 0.000 0.925 1313 S CB 0.174 63.507 63.200 0.223 0.000 0.795 1313 S HN 0.752 nan 8.310 nan 0.000 0.511 1314 R N 0.924 121.475 120.500 0.084 0.000 2.668 1314 R HA 0.369 4.708 4.340 -0.001 0.000 0.435 1314 R C -0.910 175.397 176.300 0.011 0.000 1.059 1314 R CA -0.255 55.869 56.100 0.040 0.000 1.073 1314 R CB 0.465 30.788 30.300 0.039 0.000 1.401 1314 R HN 0.289 nan 8.270 nan 0.000 0.590 1315 E N 2.560 122.766 120.200 0.010 0.000 2.324 1315 E HA 0.120 4.469 4.350 -0.001 0.000 0.271 1315 E C -2.319 174.259 176.600 -0.037 0.000 1.028 1315 E CA -2.228 54.133 56.400 -0.065 0.000 0.890 1315 E CB 0.648 30.286 29.700 -0.104 0.000 1.004 1315 E HN -0.106 nan 8.360 nan 0.000 0.431 1316 P HA -0.023 nan 4.420 nan 0.000 0.262 1316 P C -0.950 176.338 177.300 -0.020 0.000 1.182 1316 P CA 0.505 63.588 63.100 -0.028 0.000 0.761 1316 P CB 0.371 32.052 31.700 -0.032 0.000 0.795 1317 D N 0.045 120.439 120.400 -0.010 0.000 2.837 1317 D HA -0.199 4.440 4.640 -0.001 0.000 0.230 1317 D C 0.023 176.325 176.300 0.004 0.000 1.152 1317 D CA 1.218 55.216 54.000 -0.004 0.000 0.736 1317 D CB -0.749 40.048 40.800 -0.005 0.000 1.084 1317 D HN 0.315 nan 8.370 nan 0.000 0.429 1318 R N 0.426 120.931 120.500 0.008 0.000 2.574 1318 R HA 0.439 4.778 4.340 -0.001 0.000 0.288 1318 R C -2.289 174.024 176.300 0.022 0.000 1.004 1318 R CA -1.498 54.617 56.100 0.026 0.000 0.895 1318 R CB 1.476 31.805 30.300 0.048 0.000 1.191 1318 R HN -0.159 nan 8.270 nan 0.000 0.444 1319 P HA 0.090 nan 4.420 nan 0.000 0.271 1319 P C -0.781 176.516 177.300 -0.005 0.000 1.218 1319 P CA -0.379 62.719 63.100 -0.002 0.000 0.780 1319 P CB 0.772 32.468 31.700 -0.007 0.000 0.901 1320 K N 2.812 123.186 120.400 -0.043 0.000 2.489 1320 K HA 0.005 4.324 4.320 -0.001 0.000 0.278 1320 K C -0.228 176.311 176.600 -0.101 0.000 1.000 1320 K CA 0.463 56.702 56.287 -0.081 0.000 1.012 1320 K CB 0.224 32.620 32.500 -0.175 0.000 0.903 1320 K HN 0.338 nan 8.250 nan 0.000 0.485 1321 K N 4.005 124.370 120.400 -0.058 0.000 2.513 1321 K HA 0.279 4.598 4.320 -0.001 0.000 0.251 1321 K C -1.060 175.597 176.600 0.096 0.000 0.939 1321 K CA -0.541 55.731 56.287 -0.024 0.000 0.793 1321 K CB 1.373 33.882 32.500 0.015 0.000 1.241 1321 K HN 0.556 nan 8.250 nan 0.000 0.431 1322 Y N 0.243 120.518 120.300 -0.041 0.000 2.567 1322 Y HA 0.088 4.637 4.550 -0.001 0.000 0.333 1322 Y C 2.041 177.902 175.900 -0.066 0.000 1.106 1322 Y CA -1.073 56.992 58.100 -0.058 0.000 1.157 1322 Y CB 1.742 40.179 38.460 -0.039 0.000 1.277 1322 Y HN 0.311 nan 8.280 nan 0.000 0.490 1323 V N -1.256 118.691 119.914 0.055 0.000 2.392 1323 V HA -0.321 3.798 4.120 -0.001 0.000 0.249 1323 V C 1.788 177.894 176.094 0.019 0.000 1.059 1323 V CA 2.024 64.323 62.300 -0.002 0.000 1.051 1323 V CB -0.733 31.069 31.823 -0.036 0.000 0.658 1323 V HN 0.918 nan 8.190 nan 0.000 0.455 1324 Q N 0.209 120.042 119.800 0.055 0.000 2.291 1324 Q HA -0.224 4.115 4.340 -0.001 0.000 0.206 1324 Q C 1.634 177.658 176.000 0.041 0.000 0.976 1324 Q CA 1.961 57.795 55.803 0.052 0.000 0.875 1324 Q CB -0.788 27.995 28.738 0.074 0.000 0.927 1324 Q HN 0.667 nan 8.270 nan 0.000 0.450 1325 D N 1.035 121.467 120.400 0.054 0.000 2.149 1325 D HA -0.052 4.587 4.640 -0.001 0.000 0.201 1325 D C 2.172 178.466 176.300 -0.011 0.000 0.972 1325 D CA 0.942 54.956 54.000 0.022 0.000 0.835 1325 D CB 0.160 40.973 40.800 0.021 0.000 0.966 1325 D HN 0.118 nan 8.370 nan 0.000 0.476 1326 V N 1.505 121.402 119.914 -0.028 0.000 2.343 1326 V HA -0.207 3.912 4.120 -0.001 0.000 0.247 1326 V C 2.693 178.703 176.094 -0.140 0.000 1.051 1326 V CA 1.056 63.300 62.300 -0.093 0.000 1.036 1326 V CB -0.454 31.297 31.823 -0.120 0.000 0.654 1326 V HN 0.169 nan 8.190 nan 0.000 0.451 1327 L N -0.557 120.610 121.223 -0.094 0.000 2.012 1327 L HA -0.277 4.062 4.340 -0.001 0.000 0.210 1327 L C 2.671 179.512 176.870 -0.047 0.000 1.073 1327 L CA 1.931 56.725 54.840 -0.076 0.000 0.748 1327 L CB -0.595 41.452 42.059 -0.020 0.000 0.891 1327 L HN 0.369 nan 8.230 nan 0.000 0.431 1328 Q N -0.553 119.233 119.800 -0.023 0.000 2.137 1328 Q HA -0.144 4.195 4.340 -0.001 0.000 0.198 1328 Q C 2.034 178.023 176.000 -0.019 0.000 0.960 1328 Q CA 1.159 56.956 55.803 -0.011 0.000 0.847 1328 Q CB 0.098 28.838 28.738 0.003 0.000 0.915 1328 Q HN 0.542 nan 8.270 nan 0.000 0.448 1329 E N 0.119 120.304 120.200 -0.025 0.000 2.250 1329 E HA -0.084 4.265 4.350 -0.001 0.000 0.192 1329 E C 1.472 178.058 176.600 -0.023 0.000 0.986 1329 E CA 0.640 57.029 56.400 -0.018 0.000 0.849 1329 E CB 0.298 29.992 29.700 -0.010 0.000 0.797 1329 E HN 0.345 nan 8.360 nan 0.000 0.482 1330 Q N -0.494 119.271 119.800 -0.058 0.000 2.288 1330 Q HA 0.226 4.565 4.340 -0.001 0.000 0.256 1330 Q C 1.240 177.181 176.000 -0.098 0.000 0.835 1330 Q CA 0.121 55.887 55.803 -0.062 0.000 0.958 1330 Q CB 1.017 29.709 28.738 -0.076 0.000 1.125 1330 Q HN 0.145 nan 8.270 nan 0.000 0.513 1331 L N -0.025 121.120 121.223 -0.130 0.000 3.122 1331 L HA 0.417 4.756 4.340 -0.001 0.000 0.274 1331 L C 1.586 178.440 176.870 -0.028 0.000 1.222 1331 L CA -0.106 54.672 54.840 -0.103 0.000 1.028 1331 L CB 0.314 42.257 42.059 -0.193 0.000 1.386 1331 L HN 0.080 nan 8.230 nan 0.000 0.578 1332 A N 0.872 123.684 122.820 -0.013 0.000 1.859 1332 A HA -0.247 4.072 4.320 -0.001 0.000 0.217 1332 A C 2.109 179.726 177.584 0.055 0.000 1.198 1332 A CA 2.073 54.120 52.037 0.017 0.000 0.629 1332 A CB -0.274 18.726 19.000 -0.000 0.000 0.830 1332 A HN 0.484 nan 8.150 nan 0.000 0.446 1333 E N -0.458 119.771 120.200 0.047 0.000 2.077 1333 E HA -0.118 4.231 4.350 -0.001 0.000 0.193 1333 E C 2.400 179.071 176.600 0.118 0.000 0.989 1333 E CA 1.224 57.676 56.400 0.087 0.000 0.800 1333 E CB -0.178 29.556 29.700 0.056 0.000 0.746 1333 E HN 0.582 nan 8.360 nan 0.000 0.452 1334 S N 0.420 116.165 115.700 0.075 0.000 2.359 1334 S HA -0.150 4.320 4.470 -0.001 0.000 0.224 1334 S C 2.211 176.855 174.600 0.073 0.000 1.035 1334 S CA 1.003 59.243 58.200 0.068 0.000 1.018 1334 S CB -0.206 63.023 63.200 0.048 0.000 0.876 1334 S HN 0.064 nan 8.310 nan 0.000 0.448 1335 V N 0.611 120.569 119.914 0.073 0.000 2.255 1335 V HA -0.225 3.894 4.120 -0.001 0.000 0.247 1335 V C 1.924 178.080 176.094 0.103 0.000 1.051 1335 V CA 2.131 64.481 62.300 0.083 0.000 1.018 1335 V CB -0.775 31.098 31.823 0.083 0.000 0.641 1335 V HN 0.595 nan 8.190 nan 0.000 0.445 1336 Y N 1.045 121.355 120.300 0.016 0.000 2.128 1336 Y HA -0.262 4.287 4.550 -0.001 0.000 0.284 1336 Y C 2.763 178.664 175.900 0.000 0.000 1.154 1336 Y CA 1.925 60.020 58.100 -0.009 0.000 1.149 1336 Y CB -0.146 38.291 38.460 -0.039 0.000 0.976 1336 Y HN 0.079 nan 8.280 nan 0.000 0.505 1337 R N -0.084 120.393 120.500 -0.038 0.000 2.075 1337 R HA -0.132 4.207 4.340 -0.001 0.000 0.232 1337 R C 2.531 178.773 176.300 -0.096 0.000 1.126 1337 R CA 1.031 57.070 56.100 -0.102 0.000 0.963 1337 R CB -0.602 29.718 30.300 0.034 0.000 0.858 1337 R HN 0.463 nan 8.270 nan 0.000 0.435 1338 A N 1.343 124.149 122.820 -0.024 0.000 1.858 1338 A HA -0.124 4.195 4.320 -0.001 0.000 0.216 1338 A C 2.184 179.771 177.584 0.006 0.000 1.190 1338 A CA 1.179 53.224 52.037 0.013 0.000 0.617 1338 A CB -0.542 18.490 19.000 0.054 0.000 0.827 1338 A HN 0.152 nan 8.150 nan 0.000 0.443 1339 L N -1.250 119.978 121.223 0.007 0.000 2.072 1339 L HA -0.110 4.230 4.340 -0.001 0.000 0.205 1339 L C 2.606 179.539 176.870 0.105 0.000 1.079 1339 L CA 1.772 56.657 54.840 0.075 0.000 0.752 1339 L CB -0.423 41.747 42.059 0.185 0.000 0.906 1339 L HN 0.345 nan 8.230 nan 0.000 0.436 1340 K N 0.730 121.049 120.400 -0.135 0.000 2.044 1340 K HA -0.092 4.227 4.320 -0.001 0.000 0.204 1340 K C 1.821 178.329 176.600 -0.153 0.000 1.045 1340 K CA 1.452 57.603 56.287 -0.226 0.000 0.951 1340 K CB 0.097 32.058 32.500 -0.898 0.000 0.738 1340 K HN 0.254 nan 8.250 nan 0.000 0.443 1341 E N -0.523 119.551 120.200 -0.210 0.000 2.364 1341 E HA 0.033 4.382 4.350 -0.001 0.000 0.196 1341 E C 0.880 177.458 176.600 -0.037 0.000 0.990 1341 E CA 0.294 56.634 56.400 -0.101 0.000 0.886 1341 E CB 0.462 30.102 29.700 -0.100 0.000 0.866 1341 E HN 0.327 nan 8.360 nan 0.000 0.493 1342 Q N -0.167 119.618 119.800 -0.025 0.000 2.172 1342 Q HA 0.209 4.548 4.340 -0.001 0.000 0.217 1342 Q C 0.482 176.501 176.000 0.033 0.000 0.832 1342 Q CA 0.184 55.993 55.803 0.009 0.000 1.010 1342 Q CB 1.373 30.121 28.738 0.018 0.000 1.133 1342 Q HN 0.300 nan 8.270 nan 0.000 0.489 1343 G N 0.974 109.789 108.800 0.026 0.000 2.233 1343 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.270 1343 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.270 1343 G C 0.484 175.432 174.900 0.081 0.000 1.011 1343 G CA 0.049 45.170 45.100 0.035 0.000 0.762 1343 G HN 0.524 nan 8.290 nan 0.000 0.511 1344 G N -1.454 107.396 108.800 0.084 0.000 2.653 1344 G HA2 0.524 4.483 3.960 -0.001 0.000 0.265 1344 G HA3 0.524 4.483 3.960 -0.001 0.000 0.265 1344 G C -0.203 174.783 174.900 0.144 0.000 1.237 1344 G CA -0.320 44.883 45.100 0.172 0.000 0.946 1344 G HN 0.545 nan 8.290 nan 0.000 0.522 1345 H N -1.457 117.667 119.070 0.091 0.000 2.821 1345 H HA 0.514 5.069 4.556 -0.001 0.000 0.373 1345 H C -1.066 174.317 175.328 0.092 0.000 1.165 1345 H CA -0.528 55.573 56.048 0.087 0.000 1.154 1345 H CB 2.830 32.708 29.762 0.193 0.000 1.765 1345 H HN 0.375 nan 8.280 nan 0.000 0.549 1346 I N 2.074 122.684 120.570 0.065 0.000 2.533 1346 I HA 0.279 4.448 4.170 -0.001 0.000 0.290 1346 I C -1.646 174.397 176.117 -0.123 0.000 1.056 1346 I CA -0.681 60.621 61.300 0.003 0.000 1.057 1346 I CB 1.340 39.250 38.000 -0.151 0.000 1.240 1346 I HN 0.415 nan 8.210 nan 0.000 0.423 1347 Y N 5.786 126.088 120.300 0.003 0.000 2.364 1347 Y HA 0.640 5.189 4.550 -0.001 0.000 0.340 1347 Y C -0.467 175.614 175.900 0.300 0.000 0.975 1347 Y CA -0.898 57.283 58.100 0.134 0.000 1.089 1347 Y CB 2.058 40.584 38.460 0.110 0.000 1.192 1347 Y HN 0.153 nan 8.280 nan 0.000 0.454 1348 V N 2.967 123.201 119.914 0.533 0.000 2.531 1348 V HA 0.504 4.623 4.120 -0.001 0.000 0.301 1348 V C -0.743 175.594 176.094 0.404 0.000 1.034 1348 V CA -0.871 61.674 62.300 0.408 0.000 0.865 1348 V CB 1.651 33.599 31.823 0.208 0.000 0.995 1348 V HN 0.940 nan 8.190 nan 0.000 0.424 1349 C N 4.223 123.678 119.300 0.257 0.000 2.626 1349 C HA 1.017 5.476 4.460 -0.001 0.000 0.310 1349 C C 0.570 175.328 174.990 -0.386 0.000 1.191 1349 C CA 0.787 59.711 59.018 -0.157 0.000 1.517 1349 C CB 0.614 28.123 27.740 -0.385 0.000 2.102 1349 C HN 1.602 nan 8.230 nan 0.000 0.479 1350 G N 4.404 112.720 108.800 -0.807 0.000 2.236 1350 G HA2 0.112 4.072 3.960 -0.001 0.000 0.231 1350 G HA3 0.112 4.072 3.960 -0.001 0.000 0.231 1350 G C -0.956 173.640 174.900 -0.507 0.000 1.334 1350 G CA 0.017 44.570 45.100 -0.911 0.000 1.137 1350 G HN 1.056 nan 8.290 nan 0.000 0.482 1351 D N -0.453 119.789 120.400 -0.265 0.000 2.488 1351 D HA 0.273 4.912 4.640 -0.001 0.000 0.238 1351 D C 1.611 177.854 176.300 -0.095 0.000 1.138 1351 D CA 0.827 54.754 54.000 -0.121 0.000 0.873 1351 D CB 1.601 42.342 40.800 -0.099 0.000 1.183 1351 D HN 0.940 nan 8.370 nan 0.000 0.458 1352 V N 3.335 123.219 119.914 -0.050 0.000 2.407 1352 V HA -0.233 3.886 4.120 -0.001 0.000 0.248 1352 V C 1.797 177.873 176.094 -0.030 0.000 1.055 1352 V CA 2.558 64.840 62.300 -0.032 0.000 1.049 1352 V CB -0.494 31.320 31.823 -0.016 0.000 0.662 1352 V HN 0.842 nan 8.190 nan 0.000 0.455 1353 T N 0.484 115.014 114.554 -0.039 0.000 2.812 1353 T HA -0.133 4.216 4.350 -0.001 0.000 0.264 1353 T C 1.873 176.545 174.700 -0.048 0.000 1.042 1353 T CA 1.747 63.825 62.100 -0.036 0.000 1.140 1353 T CB -0.299 68.547 68.868 -0.038 0.000 0.870 1353 T HN 0.430 nan 8.240 nan 0.000 0.445 1354 M N 2.010 121.559 119.600 -0.085 0.000 2.080 1354 M HA -0.065 4.414 4.480 -0.001 0.000 0.260 1354 M C 2.472 178.746 176.300 -0.044 0.000 1.068 1354 M CA 2.069 57.302 55.300 -0.111 0.000 1.109 1354 M CB -1.040 31.461 32.600 -0.165 0.000 1.342 1354 M HN 0.266 nan 8.290 nan 0.000 0.405 1355 A N 0.207 123.012 122.820 -0.025 0.000 1.908 1355 A HA -0.050 4.270 4.320 -0.001 0.000 0.218 1355 A C 2.393 180.014 177.584 0.060 0.000 1.181 1355 A CA 2.417 54.475 52.037 0.035 0.000 0.627 1355 A CB -1.213 17.808 19.000 0.035 0.000 0.818 1355 A HN 0.682 nan 8.150 nan 0.000 0.445 1356 A N -0.176 122.661 122.820 0.029 0.000 1.902 1356 A HA -0.162 4.157 4.320 -0.001 0.000 0.217 1356 A C 1.774 179.379 177.584 0.035 0.000 1.181 1356 A CA 1.862 53.916 52.037 0.029 0.000 0.623 1356 A CB -0.535 18.471 19.000 0.010 0.000 0.818 1356 A HN 0.454 nan 8.150 nan 0.000 0.443 1357 D N -0.366 120.050 120.400 0.027 0.000 2.144 1357 D HA -0.081 4.559 4.640 -0.001 0.000 0.200 1357 D C 2.040 178.373 176.300 0.056 0.000 0.978 1357 D CA 1.232 55.254 54.000 0.037 0.000 0.833 1357 D CB -0.358 40.459 40.800 0.028 0.000 0.961 1357 D HN 0.201 nan 8.370 nan 0.000 0.470 1358 V N 1.635 121.587 119.914 0.063 0.000 2.343 1358 V HA -0.175 3.945 4.120 -0.001 0.000 0.247 1358 V C 2.442 178.622 176.094 0.143 0.000 1.051 1358 V CA 0.869 63.225 62.300 0.093 0.000 1.036 1358 V CB -0.322 31.559 31.823 0.097 0.000 0.654 1358 V HN 0.258 nan 8.190 nan 0.000 0.451 1359 L N 0.446 121.765 121.223 0.159 0.000 2.012 1359 L HA -0.209 4.130 4.340 -0.001 0.000 0.210 1359 L C 2.437 179.362 176.870 0.092 0.000 1.073 1359 L CA 2.180 57.114 54.840 0.156 0.000 0.748 1359 L CB -0.957 41.138 42.059 0.060 0.000 0.891 1359 L HN 0.356 nan 8.230 nan 0.000 0.431 1360 K N -0.395 120.044 120.400 0.064 0.000 2.057 1360 K HA -0.145 4.175 4.320 -0.001 0.000 0.207 1360 K C 2.081 178.717 176.600 0.059 0.000 1.049 1360 K CA 1.467 57.783 56.287 0.049 0.000 0.931 1360 K CB -0.180 32.343 32.500 0.038 0.000 0.714 1360 K HN 0.457 nan 8.250 nan 0.000 0.440 1361 A N 1.425 124.288 122.820 0.070 0.000 1.902 1361 A HA -0.137 4.182 4.320 -0.001 0.000 0.217 1361 A C 2.097 179.730 177.584 0.081 0.000 1.181 1361 A CA 1.258 53.335 52.037 0.066 0.000 0.623 1361 A CB -0.543 18.496 19.000 0.064 0.000 0.818 1361 A HN 0.178 nan 8.150 nan 0.000 0.443 1362 I N -0.724 119.917 120.570 0.119 0.000 2.315 1362 I HA -0.279 3.891 4.170 -0.001 0.000 0.248 1362 I C 2.761 178.962 176.117 0.140 0.000 1.117 1362 I CA 1.693 63.087 61.300 0.157 0.000 1.404 1362 I CB -0.320 37.837 38.000 0.262 0.000 1.071 1362 I HN 0.522 nan 8.210 nan 0.000 0.419 1363 Q N 1.158 121.023 119.800 0.109 0.000 2.119 1363 Q HA -0.242 4.097 4.340 -0.001 0.000 0.201 1363 Q C 2.343 178.379 176.000 0.060 0.000 0.972 1363 Q CA 1.427 57.281 55.803 0.085 0.000 0.847 1363 Q CB 0.027 28.796 28.738 0.052 0.000 0.903 1363 Q HN 0.341 nan 8.270 nan 0.000 0.433 1364 R N 0.045 120.575 120.500 0.049 0.000 2.075 1364 R HA -0.067 4.272 4.340 -0.001 0.000 0.232 1364 R C 2.155 178.466 176.300 0.018 0.000 1.126 1364 R CA 1.261 57.377 56.100 0.026 0.000 0.963 1364 R CB -0.174 30.140 30.300 0.023 0.000 0.858 1364 R HN 0.326 nan 8.270 nan 0.000 0.435 1365 I N 0.435 121.028 120.570 0.039 0.000 2.208 1365 I HA -0.319 3.851 4.170 -0.001 0.000 0.245 1365 I C 2.085 178.215 176.117 0.022 0.000 1.097 1365 I CA 1.076 62.396 61.300 0.034 0.000 1.363 1365 I CB -0.173 37.872 38.000 0.075 0.000 1.051 1365 I HN 0.267 nan 8.210 nan 0.000 0.413 1366 M N 0.261 119.900 119.600 0.064 0.000 2.159 1366 M HA -0.154 4.325 4.480 -0.001 0.000 0.263 1366 M C 2.624 178.900 176.300 -0.040 0.000 1.063 1366 M CA 2.316 57.643 55.300 0.045 0.000 1.110 1366 M CB -1.745 30.897 32.600 0.071 0.000 1.374 1366 M HN 0.443 nan 8.290 nan 0.000 0.411 1367 T N -1.451 113.088 114.554 -0.025 0.000 2.777 1367 T HA -0.153 4.196 4.350 -0.001 0.000 0.266 1367 T C 1.818 176.468 174.700 -0.084 0.000 1.040 1367 T CA 1.166 63.240 62.100 -0.044 0.000 1.141 1367 T CB -0.327 68.528 68.868 -0.021 0.000 0.868 1367 T HN 0.471 nan 8.240 nan 0.000 0.444 1368 Q N 0.355 120.101 119.800 -0.089 0.000 2.008 1368 Q HA -0.028 4.311 4.340 -0.001 0.000 0.196 1368 Q C 2.846 178.725 176.000 -0.201 0.000 0.973 1368 Q CA 1.043 56.778 55.803 -0.112 0.000 0.826 1368 Q CB -0.153 28.538 28.738 -0.079 0.000 0.894 1368 Q HN 0.488 nan 8.270 nan 0.000 0.439 1369 Q N -0.106 119.525 119.800 -0.282 0.000 2.119 1369 Q HA -0.060 4.279 4.340 -0.001 0.000 0.201 1369 Q C 2.056 177.494 176.000 -0.938 0.000 0.972 1369 Q CA 1.584 57.059 55.803 -0.547 0.000 0.847 1369 Q CB -0.420 27.989 28.738 -0.548 0.000 0.903 1369 Q HN 0.473 nan 8.270 nan 0.000 0.433 1370 G N 0.562 108.896 108.800 -0.776 0.000 2.712 1370 G HA2 -0.086 3.873 3.960 -0.001 0.000 0.212 1370 G HA3 -0.086 3.873 3.960 -0.001 0.000 0.212 1370 G C 0.074 174.830 174.900 -0.239 0.000 1.142 1370 G CA -0.051 44.737 45.100 -0.520 0.000 0.789 1370 G HN 0.350 nan 8.290 nan 0.000 0.535 1371 K N -0.969 119.306 120.400 -0.209 0.000 3.162 1371 K HA -0.141 4.178 4.320 -0.001 0.000 0.268 1371 K C -0.409 176.146 176.600 -0.076 0.000 1.062 1371 K CA 0.218 56.432 56.287 -0.123 0.000 0.769 1371 K CB -1.908 30.525 32.500 -0.112 0.000 1.274 1371 K HN 0.329 nan 8.250 nan 0.000 0.478 1372 L N -0.109 121.074 121.223 -0.066 0.000 2.303 1372 L HA 0.480 4.820 4.340 -0.001 0.000 0.266 1372 L C 1.083 177.941 176.870 -0.021 0.000 1.011 1372 L CA -1.089 53.731 54.840 -0.034 0.000 0.818 1372 L CB 1.784 43.827 42.059 -0.026 0.000 1.326 1372 L HN 0.251 nan 8.230 nan 0.000 0.435 1373 S N -0.838 114.857 115.700 -0.008 0.000 2.624 1373 S HA 0.130 4.599 4.470 -0.001 0.000 0.263 1373 S C 0.753 175.355 174.600 0.004 0.000 1.287 1373 S CA -0.410 57.788 58.200 -0.004 0.000 0.990 1373 S CB 1.537 64.737 63.200 0.000 0.000 0.950 1373 S HN 0.665 nan 8.310 nan 0.000 0.561 1374 E N 0.785 120.987 120.200 0.003 0.000 2.049 1374 E HA -0.201 4.148 4.350 -0.001 0.000 0.198 1374 E C 1.970 178.578 176.600 0.015 0.000 1.007 1374 E CA 2.023 58.428 56.400 0.008 0.000 0.809 1374 E CB -0.395 29.308 29.700 0.005 0.000 0.749 1374 E HN 0.880 nan 8.360 nan 0.000 0.450 1375 E N -0.055 120.153 120.200 0.012 0.000 2.049 1375 E HA -0.258 4.091 4.350 -0.001 0.000 0.198 1375 E C 1.464 178.081 176.600 0.027 0.000 1.007 1375 E CA 1.833 58.242 56.400 0.015 0.000 0.809 1375 E CB -0.097 29.610 29.700 0.011 0.000 0.749 1375 E HN 0.243 nan 8.360 nan 0.000 0.450 1376 D N -0.148 120.271 120.400 0.032 0.000 2.178 1376 D HA -0.110 4.529 4.640 -0.001 0.000 0.202 1376 D C 1.764 178.116 176.300 0.088 0.000 0.974 1376 D CA 1.145 55.177 54.000 0.053 0.000 0.841 1376 D CB -0.278 40.547 40.800 0.042 0.000 0.953 1376 D HN 0.333 nan 8.370 nan 0.000 0.478 1377 A N 0.831 123.692 122.820 0.068 0.000 1.933 1377 A HA -0.016 4.304 4.320 -0.001 0.000 0.218 1377 A C 2.376 180.035 177.584 0.125 0.000 1.175 1377 A CA 1.957 54.053 52.037 0.098 0.000 0.628 1377 A CB -0.986 18.047 19.000 0.056 0.000 0.814 1377 A HN 0.300 nan 8.150 nan 0.000 0.444 1378 G N -0.599 108.241 108.800 0.066 0.000 2.402 1378 G HA2 -0.088 3.871 3.960 -0.001 0.000 0.216 1378 G HA3 -0.088 3.871 3.960 -0.001 0.000 0.216 1378 G C 1.506 176.421 174.900 0.025 0.000 1.162 1378 G CA 1.171 46.290 45.100 0.031 0.000 0.777 1378 G HN 0.299 nan 8.290 nan 0.000 0.539 1379 V N 0.411 120.352 119.914 0.046 0.000 2.343 1379 V HA -0.149 3.970 4.120 -0.001 0.000 0.247 1379 V C 2.317 178.434 176.094 0.038 0.000 1.051 1379 V CA 1.898 64.216 62.300 0.030 0.000 1.036 1379 V CB -0.625 31.224 31.823 0.044 0.000 0.654 1379 V HN 0.408 nan 8.190 nan 0.000 0.451 1380 F N 0.369 120.305 119.950 -0.022 0.000 2.095 1380 F HA -0.218 4.309 4.527 -0.001 0.000 0.298 1380 F C 2.214 177.991 175.800 -0.039 0.000 1.104 1380 F CA 1.791 59.779 58.000 -0.019 0.000 1.232 1380 F CB -0.107 38.898 39.000 0.009 0.000 0.987 1380 F HN 0.034 nan 8.300 nan 0.000 0.475 1381 I N -0.299 120.268 120.570 -0.006 0.000 2.286 1381 I HA -0.262 3.907 4.170 -0.001 0.000 0.248 1381 I C 2.713 178.662 176.117 -0.279 0.000 1.115 1381 I CA 1.570 62.773 61.300 -0.161 0.000 1.392 1381 I CB -1.803 36.131 38.000 -0.110 0.000 1.065 1381 I HN 0.249 nan 8.210 nan 0.000 0.418 1382 S N 0.623 116.205 115.700 -0.196 0.000 2.382 1382 S HA -0.151 4.318 4.470 -0.001 0.000 0.228 1382 S C 2.142 176.623 174.600 -0.199 0.000 1.027 1382 S CA 1.116 59.207 58.200 -0.181 0.000 0.991 1382 S CB -0.053 63.079 63.200 -0.113 0.000 0.823 1382 S HN 0.369 nan 8.310 nan 0.000 0.469 1383 R N 0.329 120.687 120.500 -0.235 0.000 2.115 1383 R HA 0.078 4.417 4.340 -0.001 0.000 0.230 1383 R C 2.311 178.424 176.300 -0.312 0.000 1.111 1383 R CA 0.923 56.875 56.100 -0.247 0.000 0.976 1383 R CB -0.525 29.627 30.300 -0.247 0.000 0.870 1383 R HN 0.419 nan 8.270 nan 0.000 0.445 1384 L N 0.426 121.390 121.223 -0.432 0.000 2.046 1384 L HA -0.193 4.146 4.340 -0.001 0.000 0.208 1384 L C 2.632 179.357 176.870 -0.240 0.000 1.077 1384 L CA 1.495 56.110 54.840 -0.374 0.000 0.747 1384 L CB -0.297 41.562 42.059 -0.333 0.000 0.896 1384 L HN 0.194 nan 8.230 nan 0.000 0.432 1385 R N -0.195 120.180 120.500 -0.208 0.000 2.070 1385 R HA -0.164 4.175 4.340 -0.001 0.000 0.233 1385 R C 1.921 178.134 176.300 -0.145 0.000 1.137 1385 R CA 1.646 57.654 56.100 -0.154 0.000 0.945 1385 R CB -0.397 29.807 30.300 -0.160 0.000 0.845 1385 R HN 0.344 nan 8.270 nan 0.000 0.430 1386 D N 0.706 121.021 120.400 -0.141 0.000 2.158 1386 D HA -0.145 4.494 4.640 -0.001 0.000 0.197 1386 D C 0.951 177.187 176.300 -0.105 0.000 0.995 1386 D CA 1.259 55.195 54.000 -0.107 0.000 0.846 1386 D CB -0.267 40.474 40.800 -0.099 0.000 0.941 1386 D HN 0.168 nan 8.370 nan 0.000 0.456 1387 D N 0.017 120.331 120.400 -0.143 0.000 2.328 1387 D HA -0.036 4.603 4.640 -0.001 0.000 0.226 1387 D C 0.222 176.436 176.300 -0.143 0.000 1.066 1387 D CA -0.028 53.893 54.000 -0.131 0.000 0.861 1387 D CB -0.559 40.147 40.800 -0.157 0.000 0.912 1387 D HN 0.285 nan 8.370 nan 0.000 0.521 1388 N N 0.772 119.366 118.700 -0.177 0.000 2.740 1388 N HA -0.239 4.500 4.740 -0.001 0.000 0.248 1388 N C 0.367 175.623 175.510 -0.422 0.000 1.062 1388 N CA 0.128 53.034 53.050 -0.239 0.000 0.704 1388 N CB -0.343 38.123 38.487 -0.034 0.000 0.968 1388 N HN 0.235 nan 8.380 nan 0.000 0.547 1389 R N -0.435 119.755 120.500 -0.517 0.000 2.446 1389 R HA 0.067 4.406 4.340 -0.001 0.000 0.254 1389 R C -0.337 175.660 176.300 -0.506 0.000 0.918 1389 R CA 0.045 55.744 56.100 -0.668 0.000 1.069 1389 R CB 0.604 30.526 30.300 -0.630 0.000 1.194 1389 R HN 0.337 nan 8.270 nan 0.000 0.534 1390 Y N 1.891 121.832 120.300 -0.598 0.000 2.345 1390 Y HA 0.302 4.851 4.550 -0.001 0.000 0.331 1390 Y C -0.702 174.925 175.900 -0.455 0.000 0.959 1390 Y CA -0.769 57.115 58.100 -0.361 0.000 1.204 1390 Y CB 0.675 39.007 38.460 -0.213 0.000 1.135 1390 Y HN -0.016 nan 8.280 nan 0.000 0.477 1391 H N 4.943 123.867 119.070 -0.243 0.000 2.529 1391 H HA 0.439 4.994 4.556 -0.001 0.000 0.348 1391 H C -1.010 174.514 175.328 0.328 0.000 1.152 1391 H CA -0.971 55.067 56.048 -0.016 0.000 1.202 1391 H CB 2.184 31.641 29.762 -0.508 0.000 1.562 1391 H HN 0.677 nan 8.280 nan 0.000 0.515 1392 E N 1.332 121.915 120.200 0.637 0.000 2.275 1392 E HA 0.103 4.453 4.350 -0.001 0.000 0.270 1392 E C -1.226 175.505 176.600 0.218 0.000 0.882 1392 E CA -0.645 56.041 56.400 0.477 0.000 0.758 1392 E CB 2.459 32.340 29.700 0.303 0.000 1.195 1392 E HN 0.442 nan 8.360 nan 0.000 0.419 1393 D N 3.986 124.305 120.400 -0.134 0.000 2.412 1393 D HA 0.273 4.912 4.640 -0.001 0.000 0.276 1393 D C -0.926 175.267 176.300 -0.180 0.000 1.196 1393 D CA -0.375 53.372 54.000 -0.422 0.000 0.905 1393 D CB 0.178 40.272 40.800 -1.175 0.000 1.081 1393 D HN 0.388 nan 8.370 nan 0.000 0.502 1394 I N 2.740 123.280 120.570 -0.051 0.000 2.371 1394 I HA 0.165 4.334 4.170 -0.001 0.000 0.290 1394 I C 0.238 176.442 176.117 0.144 0.000 1.028 1394 I CA -0.655 60.627 61.300 -0.030 0.000 1.345 1394 I CB 0.722 38.717 38.000 -0.010 0.000 1.407 1394 I HN 0.164 nan 8.210 nan 0.000 0.501 1395 F N 5.357 125.245 119.950 -0.103 0.000 2.652 1395 F HA 0.266 4.792 4.527 -0.001 0.000 0.352 1395 F C 1.192 176.933 175.800 -0.099 0.000 1.259 1395 F CA -0.978 56.952 58.000 -0.117 0.000 1.249 1395 F CB -0.807 38.141 39.000 -0.087 0.000 1.628 1395 F HN 0.401 nan 8.300 nan 0.000 0.654 1396 G N 1.263 110.100 108.800 0.062 0.000 2.572 1396 G HA2 0.422 4.381 3.960 -0.001 0.000 0.261 1396 G HA3 0.422 4.381 3.960 -0.001 0.000 0.261 1396 G C 0.204 175.097 174.900 -0.011 0.000 1.197 1396 G CA -0.514 44.593 45.100 0.011 0.000 0.870 1396 G HN 0.424 nan 8.290 nan 0.000 0.548 1397 V N 0.000 119.908 119.914 -0.011 0.000 2.409 1397 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 1397 V CA 0.000 62.290 62.300 -0.016 0.000 1.235 1397 V CB 0.000 31.814 31.823 -0.014 0.000 1.184 1397 V HN 0.000 nan 8.190 nan 0.000 0.556