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 2oj9_1_A DATA FIRST_RESID 954 DATA SEQUENCE ADVYVPDEWE VAREKITMSR ELGQGSFGMV YEGVAKGVVK DEPETRVAIK DATA SEQUENCE TVNEAASMRE RIEFLNEASV MKEFNCHHVV RLLGVVSQGQ PTLVIMELMT DATA SEQUENCE RGDLKSYLRS LRPEXXXXXX XXPPSLSKMI QMAGEIADGM AYLNANKFVH DATA SEQUENCE RDLAARNCMV AEDFTVKIGD FGMTRDIYET DYYRKGGKGL LPVRWMSPES DATA SEQUENCE LKDGVFTTYS DVWSFGVVLW EIATLAEQPY QGLSNEQVLR FVMEGGLLDK DATA SEQUENCE PDNCPDMLFE LMRMCWQYNP KMRPSFLEII SSIKEEMEPG FREVSFYYSE DATA SEQUENCE ENK 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 954 A HA 0.000 nan 4.320 nan 0.000 0.244 954 A C 0.000 177.599 177.584 0.025 0.000 1.274 954 A CA 0.000 52.051 52.037 0.023 0.000 0.836 954 A CB 0.000 19.022 19.000 0.037 0.000 0.831 955 D N 1.463 121.873 120.400 0.016 0.000 2.644 955 D HA 0.029 4.621 4.640 -0.080 0.000 0.252 955 D C 0.632 176.956 176.300 0.041 0.000 1.254 955 D CA 0.160 54.165 54.000 0.009 0.000 0.884 955 D CB -0.033 40.752 40.800 -0.025 0.000 1.034 955 D HN 0.337 nan 8.370 nan 0.000 0.473 956 V N 2.614 122.573 119.914 0.074 0.000 2.707 956 V HA -0.235 3.837 4.120 -0.080 0.000 0.291 956 V C 0.080 176.292 176.094 0.197 0.000 1.002 956 V CA 0.758 63.138 62.300 0.133 0.000 1.200 956 V CB -1.176 30.701 31.823 0.090 0.000 0.854 956 V HN 0.276 nan 8.190 nan 0.000 0.462 957 Y N 5.346 125.649 120.300 0.004 0.000 3.263 957 Y HA 0.696 5.197 4.550 -0.081 0.000 0.347 957 Y C 0.269 176.169 175.900 0.000 0.000 1.338 957 Y CA -0.961 57.138 58.100 -0.002 0.000 0.884 957 Y CB 0.343 38.796 38.460 -0.012 0.000 1.199 957 Y HN 0.037 nan 8.280 nan 0.000 0.852 958 V N 2.628 122.091 119.914 -0.752 0.000 2.205 958 V HA 0.252 4.324 4.120 -0.080 0.000 0.263 958 V C -1.882 173.806 176.094 -0.677 0.000 1.138 958 V CA -1.447 60.515 62.300 -0.563 0.000 1.059 958 V CB -0.206 31.399 31.823 -0.363 0.000 1.232 958 V HN 0.554 nan 8.190 nan 0.000 0.469 959 P HA -0.315 nan 4.420 nan 0.000 0.236 959 P C 0.739 178.077 177.300 0.064 0.000 1.128 959 P CA 2.311 65.453 63.100 0.071 0.000 0.971 959 P CB -0.111 31.633 31.700 0.073 0.000 0.766 960 D N -1.400 118.989 120.400 -0.018 0.000 6.122 960 D HA -0.248 4.344 4.640 -0.080 0.000 0.318 960 D C 0.901 177.238 176.300 0.062 0.000 2.597 960 D CA 1.654 55.673 54.000 0.032 0.000 1.252 960 D CB -0.704 40.134 40.800 0.063 0.000 1.190 960 D HN 0.421 nan 8.370 nan 0.000 1.295 961 E N -0.757 119.447 120.200 0.005 0.000 2.463 961 E HA -0.174 4.129 4.350 -0.080 0.000 0.201 961 E C 1.616 178.088 176.600 -0.213 0.000 1.045 961 E CA 1.265 57.587 56.400 -0.130 0.000 0.872 961 E CB -0.644 28.913 29.700 -0.238 0.000 0.797 961 E HN 0.682 nan 8.360 nan 0.000 0.538 962 W N 1.970 123.273 121.300 0.004 0.000 3.139 962 W HA 0.117 4.724 4.660 -0.089 0.000 0.260 962 W C 0.886 177.421 176.519 0.026 0.000 1.312 962 W CA -0.264 57.088 57.345 0.011 0.000 1.606 962 W CB 0.201 29.669 29.460 0.014 0.000 1.118 962 W HN 0.013 nan 8.180 nan 0.000 0.675 963 E N 1.208 121.527 120.200 0.198 0.000 2.392 963 E HA 0.210 4.513 4.350 -0.080 0.000 0.264 963 E C -0.707 175.943 176.600 0.082 0.000 1.024 963 E CA -0.010 56.477 56.400 0.146 0.000 0.903 963 E CB 1.099 30.873 29.700 0.125 0.000 0.963 963 E HN -0.130 nan 8.360 nan 0.000 0.432 964 V N 3.822 123.779 119.914 0.073 0.000 2.709 964 V HA 0.733 4.805 4.120 -0.080 0.000 0.308 964 V C -0.586 175.527 176.094 0.032 0.000 1.062 964 V CA -0.231 62.095 62.300 0.043 0.000 0.901 964 V CB 1.467 33.319 31.823 0.049 0.000 1.003 964 V HN 0.992 nan 8.190 nan 0.000 0.425 965 A N 6.081 128.913 122.820 0.019 0.000 2.511 965 A HA 0.336 4.608 4.320 -0.080 0.000 0.242 965 A C 1.257 178.847 177.584 0.011 0.000 1.069 965 A CA 0.487 52.532 52.037 0.013 0.000 0.763 965 A CB 0.069 19.072 19.000 0.006 0.000 1.001 965 A HN 1.201 nan 8.150 nan 0.000 0.498 966 R N 1.483 121.987 120.500 0.007 0.000 2.189 966 R HA -0.103 4.189 4.340 -0.080 0.000 0.223 966 R C 0.457 176.754 176.300 -0.005 0.000 1.092 966 R CA 1.529 57.629 56.100 0.001 0.000 0.989 966 R CB -0.129 30.169 30.300 -0.005 0.000 0.876 966 R HN 0.744 nan 8.270 nan 0.000 0.457 967 E N 1.752 121.949 120.200 -0.004 0.000 2.409 967 E HA -0.124 4.178 4.350 -0.080 0.000 0.198 967 E C 1.034 177.631 176.600 -0.005 0.000 1.024 967 E CA 0.852 57.249 56.400 -0.006 0.000 0.861 967 E CB -0.047 29.650 29.700 -0.005 0.000 0.788 967 E HN 0.526 nan 8.360 nan 0.000 0.521 968 K N 0.345 120.744 120.400 -0.001 0.000 2.426 968 K HA 0.105 4.377 4.320 -0.080 0.000 0.193 968 K C 0.383 176.984 176.600 0.002 0.000 1.028 968 K CA 0.187 56.475 56.287 0.000 0.000 1.047 968 K CB 0.505 33.007 32.500 0.003 0.000 0.821 968 K HN 0.018 nan 8.250 nan 0.000 0.513 969 I N 1.125 121.695 120.570 -0.001 0.000 2.412 969 I HA 0.194 4.316 4.170 -0.080 0.000 0.296 969 I C -0.107 176.002 176.117 -0.013 0.000 0.987 969 I CA -0.311 60.988 61.300 -0.002 0.000 1.180 969 I CB 1.656 39.657 38.000 0.000 0.000 1.340 969 I HN -0.219 nan 8.210 nan 0.000 0.455 970 T N 7.005 121.553 114.554 -0.010 0.000 2.841 970 T HA 0.553 4.855 4.350 -0.080 0.000 0.285 970 T C -0.035 174.653 174.700 -0.020 0.000 0.991 970 T CA -0.514 61.575 62.100 -0.019 0.000 0.966 970 T CB 1.442 70.304 68.868 -0.009 0.000 0.962 970 T HN 0.354 nan 8.240 nan 0.000 0.438 971 M N 2.566 122.136 119.600 -0.049 0.000 2.088 971 M HA 0.317 4.749 4.480 -0.080 0.000 0.346 971 M C 0.845 177.132 176.300 -0.021 0.000 1.111 971 M CA -0.534 54.732 55.300 -0.057 0.000 1.017 971 M CB 1.399 33.873 32.600 -0.210 0.000 1.568 971 M HN 0.583 nan 8.290 nan 0.000 0.445 972 S N 2.826 118.548 115.700 0.038 0.000 2.339 972 S HA 0.226 4.648 4.470 -0.080 0.000 0.213 972 S C 0.530 175.186 174.600 0.092 0.000 1.033 972 S CA 0.544 58.774 58.200 0.050 0.000 0.950 972 S CB 0.276 63.504 63.200 0.046 0.000 0.893 972 S HN 0.661 nan 8.310 nan 0.000 0.492 973 R N 0.305 120.895 120.500 0.149 0.000 2.752 973 R HA 0.452 4.744 4.340 -0.080 0.000 0.271 973 R C -1.602 174.828 176.300 0.216 0.000 1.026 973 R CA -0.699 55.506 56.100 0.175 0.000 0.901 973 R CB 1.236 31.587 30.300 0.085 0.000 1.243 973 R HN 0.120 nan 8.270 nan 0.000 0.463 974 E N 0.705 120.956 120.200 0.085 0.000 2.383 974 E HA 0.080 4.383 4.350 -0.080 0.000 0.264 974 E C 0.212 176.740 176.600 -0.119 0.000 1.050 974 E CA 0.011 56.288 56.400 -0.205 0.000 0.896 974 E CB 0.817 30.346 29.700 -0.284 0.000 0.982 974 E HN 0.358 nan 8.360 nan 0.000 0.424 975 L N 0.848 121.974 121.223 -0.161 0.000 2.347 975 L HA 0.356 4.648 4.340 -0.080 0.000 0.196 975 L C 0.930 177.745 176.870 -0.091 0.000 1.072 975 L CA 0.548 55.341 54.840 -0.077 0.000 0.817 975 L CB 0.369 42.404 42.059 -0.040 0.000 1.029 975 L HN 0.715 nan 8.230 nan 0.000 0.478 976 G N -1.026 107.691 108.800 -0.138 0.000 2.313 976 G HA2 0.173 4.085 3.960 -0.080 0.000 0.296 976 G HA3 0.173 4.085 3.960 -0.080 0.000 0.296 976 G C -1.964 172.864 174.900 -0.119 0.000 1.356 976 G CA -0.661 44.371 45.100 -0.113 0.000 0.833 976 G HN -0.161 nan 8.290 nan 0.000 0.552 977 Q N -0.102 119.641 119.800 -0.095 0.000 2.311 977 Q HA 0.561 4.853 4.340 -0.080 0.000 0.272 977 Q C 0.587 176.557 176.000 -0.050 0.000 1.012 977 Q CA 1.006 56.761 55.803 -0.080 0.000 0.891 977 Q CB 0.883 29.574 28.738 -0.078 0.000 1.201 977 Q HN 1.074 nan 8.270 nan 0.000 0.391 978 G N 1.029 109.818 108.800 -0.018 0.000 2.597 978 G HA2 0.364 4.276 3.960 -0.080 0.000 0.317 978 G HA3 0.364 4.276 3.960 -0.080 0.000 0.317 978 G C 0.517 175.427 174.900 0.016 0.000 1.230 978 G CA -0.131 44.988 45.100 0.032 0.000 0.996 978 G HN 0.771 nan 8.290 nan 0.000 0.490 979 S N -0.689 115.028 115.700 0.028 0.000 2.370 979 S HA -0.115 4.307 4.470 -0.080 0.000 0.226 979 S C 1.639 176.124 174.600 -0.192 0.000 1.033 979 S CA 1.516 59.653 58.200 -0.105 0.000 1.011 979 S CB -0.407 62.704 63.200 -0.148 0.000 0.852 979 S HN 0.364 nan 8.310 nan 0.000 0.457 980 F N 2.010 121.974 119.950 0.023 0.000 2.727 980 F HA 0.524 5.003 4.527 -0.080 0.000 0.302 980 F C 1.492 177.211 175.800 -0.134 0.000 1.097 980 F CA 0.426 58.394 58.000 -0.053 0.000 1.330 980 F CB 0.789 39.753 39.000 -0.060 0.000 1.084 980 F HN 0.622 nan 8.300 nan 0.000 0.578 981 G N -0.703 108.133 108.800 0.061 0.000 2.359 981 G HA2 0.119 4.031 3.960 -0.080 0.000 0.293 981 G HA3 0.119 4.031 3.960 -0.080 0.000 0.293 981 G C -1.176 173.731 174.900 0.011 0.000 1.300 981 G CA -1.133 43.970 45.100 0.005 0.000 0.888 981 G HN -0.251 nan 8.290 nan 0.000 0.541 982 M N 0.345 119.942 119.600 -0.006 0.000 2.248 982 M HA 0.360 4.792 4.480 -0.080 0.000 0.337 982 M C 0.155 176.410 176.300 -0.074 0.000 1.121 982 M CA 0.062 55.300 55.300 -0.102 0.000 1.155 982 M CB 1.027 33.490 32.600 -0.228 0.000 1.514 982 M HN 0.316 nan 8.290 nan 0.000 0.452 983 V N 5.035 124.846 119.914 -0.170 0.000 2.459 983 V HA 0.377 4.449 4.120 -0.080 0.000 0.295 983 V C -0.873 175.108 176.094 -0.188 0.000 1.029 983 V CA -0.610 61.662 62.300 -0.047 0.000 0.874 983 V CB 1.310 33.136 31.823 0.005 0.000 0.985 983 V HN 0.671 nan 8.190 nan 0.000 0.438 984 Y N 1.807 122.124 120.300 0.029 0.000 2.587 984 Y HA 0.578 5.079 4.550 -0.081 0.000 0.337 984 Y C 0.335 176.247 175.900 0.019 0.000 1.065 984 Y CA -1.036 57.076 58.100 0.020 0.000 1.126 984 Y CB 1.473 39.942 38.460 0.015 0.000 1.279 984 Y HN 0.701 nan 8.280 nan 0.000 0.489 985 E N 0.500 120.805 120.200 0.175 0.000 2.214 985 E HA 0.740 5.042 4.350 -0.080 0.000 0.274 985 E C -0.467 176.193 176.600 0.100 0.000 0.977 985 E CA -0.564 55.897 56.400 0.102 0.000 0.827 985 E CB 1.657 31.393 29.700 0.061 0.000 1.130 985 E HN 0.837 nan 8.360 nan 0.000 0.394 986 G N 0.953 109.792 108.800 0.065 0.000 2.500 986 G HA2 0.453 4.365 3.960 -0.080 0.000 0.299 986 G HA3 0.453 4.365 3.960 -0.080 0.000 0.299 986 G C -1.120 173.798 174.900 0.030 0.000 1.242 986 G CA -0.175 44.952 45.100 0.045 0.000 0.859 986 G HN 0.986 nan 8.290 nan 0.000 0.481 987 V N -3.040 116.886 119.914 0.021 0.000 2.925 987 V HA 0.967 5.039 4.120 -0.080 0.000 0.311 987 V C -0.223 175.880 176.094 0.014 0.000 1.104 987 V CA -0.466 61.844 62.300 0.017 0.000 0.954 987 V CB 1.230 33.060 31.823 0.012 0.000 1.022 987 V HN 2.202 nan 8.190 nan 0.000 0.427 988 A N 3.239 126.069 122.820 0.016 0.000 2.393 988 A HA 0.784 5.057 4.320 -0.080 0.000 0.306 988 A C -0.402 177.189 177.584 0.011 0.000 1.050 988 A CA -0.928 51.118 52.037 0.015 0.000 0.724 988 A CB 1.462 20.476 19.000 0.024 0.000 1.248 988 A HN 0.895 nan 8.150 nan 0.000 0.424 989 K N 0.836 121.239 120.400 0.006 0.000 2.174 989 K HA 0.470 4.742 4.320 -0.080 0.000 0.275 989 K C 0.864 177.464 176.600 -0.000 0.000 1.015 989 K CA 0.413 56.701 56.287 0.002 0.000 0.933 989 K CB 1.065 33.565 32.500 -0.001 0.000 1.025 989 K HN 1.573 nan 8.250 nan 0.000 0.463 990 G N 1.288 110.085 108.800 -0.004 0.000 2.356 990 G HA2 -0.238 3.675 3.960 -0.080 0.000 0.296 990 G HA3 -0.238 3.675 3.960 -0.080 0.000 0.296 990 G C 0.477 175.369 174.900 -0.014 0.000 1.022 990 G CA 0.586 45.680 45.100 -0.011 0.000 0.961 990 G HN 0.508 nan 8.290 nan 0.000 0.510 991 V N -4.070 115.842 119.914 -0.003 0.000 3.661 991 V HA 0.576 4.648 4.120 -0.080 0.000 0.271 991 V C 0.829 176.923 176.094 0.000 0.000 1.315 991 V CA 0.539 62.841 62.300 0.003 0.000 1.072 991 V CB 0.747 32.588 31.823 0.030 0.000 0.830 991 V HN 0.483 nan 8.190 nan 0.000 0.443 992 V N 0.598 120.511 119.914 -0.002 0.000 2.588 992 V HA 0.381 4.453 4.120 -0.080 0.000 0.304 992 V C 1.163 177.251 176.094 -0.009 0.000 1.042 992 V CA -0.857 61.443 62.300 -0.001 0.000 0.877 992 V CB 1.674 33.503 31.823 0.010 0.000 0.996 992 V HN 0.206 nan 8.190 nan 0.000 0.425 993 K N 2.282 122.674 120.400 -0.014 0.000 2.056 993 K HA -0.308 3.964 4.320 -0.080 0.000 0.225 993 K C 1.447 178.040 176.600 -0.012 0.000 1.053 993 K CA 2.851 59.128 56.287 -0.017 0.000 0.966 993 K CB -0.009 32.482 32.500 -0.015 0.000 0.735 993 K HN 1.004 nan 8.250 nan 0.000 0.455 994 D N -0.065 120.331 120.400 -0.006 0.000 2.339 994 D HA -0.032 4.560 4.640 -0.080 0.000 0.217 994 D C -0.555 175.743 176.300 -0.003 0.000 1.050 994 D CA 0.128 54.126 54.000 -0.004 0.000 0.856 994 D CB 0.223 41.022 40.800 -0.002 0.000 0.922 994 D HN 0.222 nan 8.370 nan 0.000 0.518 995 E N 0.609 120.808 120.200 -0.002 0.000 2.134 995 E HA 0.206 4.508 4.350 -0.080 0.000 0.278 995 E C -1.771 174.828 176.600 -0.002 0.000 0.959 995 E CA -2.023 54.377 56.400 0.000 0.000 0.783 995 E CB 1.788 31.491 29.700 0.004 0.000 1.095 995 E HN 0.048 nan 8.360 nan 0.000 0.399 996 P HA -0.167 nan 4.420 nan 0.000 0.215 996 P C -0.336 176.964 177.300 -0.000 0.000 1.157 996 P CA 1.350 64.449 63.100 -0.002 0.000 0.863 996 P CB 0.249 31.948 31.700 -0.001 0.000 0.787 997 E N -2.528 117.673 120.200 0.002 0.000 2.340 997 E HA 0.607 4.909 4.350 -0.080 0.000 0.273 997 E C -1.221 175.383 176.600 0.007 0.000 0.891 997 E CA -0.807 55.596 56.400 0.004 0.000 0.757 997 E CB 1.417 31.119 29.700 0.004 0.000 1.231 997 E HN -0.325 nan 8.360 nan 0.000 0.439 998 T N 1.448 116.008 114.554 0.010 0.000 2.893 998 T HA 0.447 4.749 4.350 -0.080 0.000 0.293 998 T C -0.612 174.096 174.700 0.014 0.000 1.027 998 T CA -1.030 61.077 62.100 0.012 0.000 0.988 998 T CB 1.041 69.918 68.868 0.015 0.000 1.043 998 T HN 0.328 nan 8.240 nan 0.000 0.461 999 R N 1.809 122.317 120.500 0.013 0.000 2.442 999 R HA 0.549 4.841 4.340 -0.080 0.000 0.291 999 R C 0.041 176.351 176.300 0.017 0.000 1.069 999 R CA -0.252 55.857 56.100 0.014 0.000 1.022 999 R CB 0.672 30.978 30.300 0.010 0.000 0.976 999 R HN 0.566 nan 8.270 nan 0.000 0.443 1000 V N -1.675 118.254 119.914 0.025 0.000 3.182 1000 V HA 0.869 4.941 4.120 -0.080 0.000 0.308 1000 V C -0.861 175.257 176.094 0.040 0.000 1.240 1000 V CA -1.267 61.051 62.300 0.029 0.000 1.063 1000 V CB 2.026 33.870 31.823 0.035 0.000 1.076 1000 V HN 0.786 nan 8.190 nan 0.000 0.446 1001 A N 1.409 124.255 122.820 0.043 0.000 2.317 1001 A HA 0.920 5.193 4.320 -0.080 0.000 0.327 1001 A C -0.667 176.964 177.584 0.079 0.000 1.178 1001 A CA -0.654 51.419 52.037 0.060 0.000 0.817 1001 A CB 0.627 19.654 19.000 0.045 0.000 1.189 1001 A HN 0.944 nan 8.150 nan 0.000 0.489 1002 I N 2.616 123.258 120.570 0.120 0.000 2.411 1002 I HA 0.248 4.371 4.170 -0.080 0.000 0.284 1002 I C -0.182 176.054 176.117 0.198 0.000 1.012 1002 I CA -0.249 61.136 61.300 0.141 0.000 1.119 1002 I CB 1.701 39.776 38.000 0.126 0.000 1.261 1002 I HN 0.554 nan 8.210 nan 0.000 0.448 1003 K N 4.895 125.415 120.400 0.200 0.000 2.172 1003 K HA 0.588 4.860 4.320 -0.080 0.000 0.276 1003 K C 0.045 176.840 176.600 0.325 0.000 1.013 1003 K CA -0.585 55.869 56.287 0.279 0.000 0.913 1003 K CB 1.702 34.399 32.500 0.329 0.000 1.055 1003 K HN 0.670 nan 8.250 nan 0.000 0.461 1004 T N -1.862 112.803 114.554 0.184 0.000 2.926 1004 T HA 0.492 4.794 4.350 -0.080 0.000 0.289 1004 T C -0.658 173.835 174.700 -0.346 0.000 1.054 1004 T CA -0.879 61.205 62.100 -0.026 0.000 1.015 1004 T CB 1.706 70.622 68.868 0.081 0.000 1.167 1004 T HN 0.310 nan 8.240 nan 0.000 0.526 1005 V N 1.383 121.000 119.914 -0.494 0.000 2.628 1005 V HA 0.499 4.571 4.120 -0.080 0.000 0.306 1005 V C 0.244 176.224 176.094 -0.190 0.000 1.045 1005 V CA -1.123 60.886 62.300 -0.485 0.000 0.905 1005 V CB 1.202 32.567 31.823 -0.764 0.000 0.997 1005 V HN 1.160 nan 8.190 nan 0.000 0.436 1006 N N 3.412 122.054 118.700 -0.097 0.000 2.225 1006 N HA -0.091 4.601 4.740 -0.080 0.000 0.257 1006 N C 1.364 176.844 175.510 -0.051 0.000 1.252 1006 N CA 0.907 53.927 53.050 -0.049 0.000 0.833 1006 N CB 0.592 39.062 38.487 -0.029 0.000 1.068 1006 N HN 0.918 nan 8.380 nan 0.000 0.468 1007 E N 2.430 122.610 120.200 -0.033 0.000 2.171 1007 E HA -0.181 4.121 4.350 -0.080 0.000 0.197 1007 E C 0.147 176.731 176.600 -0.026 0.000 0.997 1007 E CA 1.041 57.422 56.400 -0.030 0.000 0.810 1007 E CB -0.021 29.668 29.700 -0.019 0.000 0.738 1007 E HN 0.494 nan 8.360 nan 0.000 0.467 1008 A N 1.251 124.058 122.820 -0.021 0.000 2.343 1008 A HA 0.614 4.886 4.320 -0.080 0.000 0.305 1008 A C -0.212 177.364 177.584 -0.013 0.000 1.308 1008 A CA 0.152 52.180 52.037 -0.015 0.000 0.949 1008 A CB 0.136 19.129 19.000 -0.012 0.000 1.148 1008 A HN 0.468 nan 8.150 nan 0.000 0.545 1009 A N 2.352 125.166 122.820 -0.011 0.000 2.572 1009 A HA 0.597 4.869 4.320 -0.080 0.000 0.303 1009 A C -0.046 177.537 177.584 -0.001 0.000 1.059 1009 A CA -0.000 52.036 52.037 -0.001 0.000 0.788 1009 A CB -0.031 18.962 19.000 -0.012 0.000 1.282 1009 A HN 1.870 nan 8.150 nan 0.000 0.397 1010 S N 2.865 118.572 115.700 0.013 0.000 2.655 1010 S HA 0.445 4.867 4.470 -0.080 0.000 0.265 1010 S C 1.541 176.149 174.600 0.013 0.000 1.240 1010 S CA 0.078 58.285 58.200 0.013 0.000 0.986 1010 S CB 0.564 63.776 63.200 0.019 0.000 0.985 1010 S HN 1.565 nan 8.310 nan 0.000 0.562 1011 M N 0.589 120.197 119.600 0.013 0.000 2.108 1011 M HA -0.155 4.278 4.480 -0.080 0.000 0.261 1011 M C 2.164 178.479 176.300 0.025 0.000 1.066 1011 M CA 1.868 57.178 55.300 0.016 0.000 1.107 1011 M CB -0.845 31.766 32.600 0.019 0.000 1.356 1011 M HN 0.937 nan 8.290 nan 0.000 0.406 1012 R N 0.346 120.865 120.500 0.032 0.000 2.070 1012 R HA -0.222 4.070 4.340 -0.080 0.000 0.232 1012 R C 2.207 178.540 176.300 0.056 0.000 1.138 1012 R CA 2.307 58.433 56.100 0.042 0.000 0.936 1012 R CB -0.590 29.736 30.300 0.042 0.000 0.839 1012 R HN 0.645 nan 8.270 nan 0.000 0.429 1013 E N 0.011 120.251 120.200 0.067 0.000 2.160 1013 E HA -0.229 4.073 4.350 -0.080 0.000 0.195 1013 E C 2.087 178.728 176.600 0.068 0.000 0.991 1013 E CA 1.212 57.681 56.400 0.115 0.000 0.810 1013 E CB 0.092 29.867 29.700 0.126 0.000 0.742 1013 E HN 0.317 nan 8.360 nan 0.000 0.466 1014 R N -0.176 120.332 120.500 0.014 0.000 2.090 1014 R HA 0.014 4.306 4.340 -0.080 0.000 0.228 1014 R C 2.395 178.684 176.300 -0.018 0.000 1.110 1014 R CA 1.114 57.197 56.100 -0.028 0.000 0.973 1014 R CB -0.072 30.205 30.300 -0.039 0.000 0.869 1014 R HN 0.257 nan 8.270 nan 0.000 0.440 1015 I N 0.449 121.015 120.570 -0.006 0.000 2.315 1015 I HA -0.224 3.898 4.170 -0.080 0.000 0.248 1015 I C 2.294 178.401 176.117 -0.017 0.000 1.117 1015 I CA 1.152 62.448 61.300 -0.006 0.000 1.404 1015 I CB -0.126 37.903 38.000 0.049 0.000 1.071 1015 I HN 0.245 nan 8.210 nan 0.000 0.419 1016 E N 0.658 120.862 120.200 0.007 0.000 2.017 1016 E HA -0.282 4.020 4.350 -0.080 0.000 0.193 1016 E C 2.133 178.660 176.600 -0.122 0.000 0.997 1016 E CA 1.586 57.997 56.400 0.017 0.000 0.804 1016 E CB -0.161 29.619 29.700 0.134 0.000 0.757 1016 E HN 0.389 nan 8.360 nan 0.000 0.448 1017 F N 0.996 120.622 119.950 -0.539 0.000 2.115 1017 F HA -0.266 4.214 4.527 -0.078 0.000 0.300 1017 F C 1.849 177.354 175.800 -0.492 0.000 1.092 1017 F CA 1.216 58.652 58.000 -0.940 0.000 1.245 1017 F CB -0.171 38.232 39.000 -0.995 0.000 0.995 1017 F HN 0.037 nan 8.300 nan 0.000 0.481 1018 L N 0.646 121.648 121.223 -0.369 0.000 2.072 1018 L HA -0.181 4.111 4.340 -0.080 0.000 0.205 1018 L C 2.233 178.931 176.870 -0.287 0.000 1.079 1018 L CA 1.483 56.040 54.840 -0.471 0.000 0.752 1018 L CB -1.339 40.335 42.059 -0.641 0.000 0.906 1018 L HN 0.129 nan 8.230 nan 0.000 0.436 1019 N N -0.448 118.173 118.700 -0.131 0.000 2.166 1019 N HA -0.187 4.505 4.740 -0.080 0.000 0.186 1019 N C 1.844 177.291 175.510 -0.105 0.000 1.019 1019 N CA 0.904 53.931 53.050 -0.038 0.000 0.856 1019 N CB -0.062 38.431 38.487 0.011 0.000 0.993 1019 N HN 0.291 nan 8.380 nan 0.000 0.426 1020 E N 0.824 120.940 120.200 -0.141 0.000 2.085 1020 E HA -0.035 4.267 4.350 -0.080 0.000 0.194 1020 E C 1.822 178.316 176.600 -0.177 0.000 0.994 1020 E CA 1.334 57.670 56.400 -0.107 0.000 0.801 1020 E CB -0.282 29.384 29.700 -0.056 0.000 0.743 1020 E HN 0.376 nan 8.360 nan 0.000 0.453 1021 A N -0.232 122.400 122.820 -0.312 0.000 2.014 1021 A HA -0.081 4.191 4.320 -0.080 0.000 0.218 1021 A C 2.144 179.533 177.584 -0.325 0.000 1.163 1021 A CA 1.346 53.178 52.037 -0.342 0.000 0.652 1021 A CB -0.267 18.437 19.000 -0.494 0.000 0.808 1021 A HN 0.172 nan 8.150 nan 0.000 0.449 1022 S N -0.158 115.377 115.700 -0.275 0.000 2.547 1022 S HA -0.042 4.380 4.470 -0.080 0.000 0.235 1022 S C 1.603 175.997 174.600 -0.345 0.000 0.980 1022 S CA 0.964 58.989 58.200 -0.292 0.000 0.941 1022 S CB -0.219 62.904 63.200 -0.127 0.000 0.763 1022 S HN 0.378 nan 8.310 nan 0.000 0.532 1023 V N 2.953 122.681 119.914 -0.310 0.000 2.453 1023 V HA -0.155 3.917 4.120 -0.080 0.000 0.247 1023 V C 2.242 177.880 176.094 -0.759 0.000 1.048 1023 V CA 1.487 63.567 62.300 -0.365 0.000 1.049 1023 V CB -0.721 30.989 31.823 -0.189 0.000 0.672 1023 V HN 0.664 nan 8.190 nan 0.000 0.457 1024 M N -0.638 118.568 119.600 -0.655 0.000 2.700 1024 M HA -0.033 4.400 4.480 -0.080 0.000 0.249 1024 M C 1.663 177.458 176.300 -0.842 0.000 1.082 1024 M CA 1.341 56.152 55.300 -0.814 0.000 1.077 1024 M CB -0.924 31.510 32.600 -0.277 0.000 1.477 1024 M HN 0.259 nan 8.290 nan 0.000 0.529 1025 K N 1.479 121.373 120.400 -0.843 0.000 2.280 1025 K HA -0.110 4.162 4.320 -0.080 0.000 0.202 1025 K C 1.108 177.432 176.600 -0.460 0.000 1.047 1025 K CA 1.310 57.046 56.287 -0.920 0.000 0.942 1025 K CB -0.109 31.834 32.500 -0.929 0.000 0.739 1025 K HN 0.465 nan 8.250 nan 0.000 0.457 1026 E N -0.371 119.454 120.200 -0.624 0.000 2.489 1026 E HA 0.036 4.339 4.350 -0.080 0.000 0.193 1026 E C -0.523 175.972 176.600 -0.174 0.000 1.057 1026 E CA 0.164 56.346 56.400 -0.362 0.000 0.866 1026 E CB 0.202 29.722 29.700 -0.300 0.000 0.916 1026 E HN 0.030 nan 8.360 nan 0.000 0.500 1027 F N 0.553 120.451 119.950 -0.086 0.000 2.422 1027 F HA 0.445 4.920 4.527 -0.086 0.000 0.333 1027 F C 0.358 176.164 175.800 0.010 0.000 1.095 1027 F CA -1.808 56.199 58.000 0.011 0.000 1.038 1027 F CB 0.762 39.713 39.000 -0.082 0.000 1.156 1027 F HN -0.271 nan 8.300 nan 0.000 0.483 1028 N N 1.877 120.693 118.700 0.193 0.000 2.707 1028 N HA 0.315 5.008 4.740 -0.080 0.000 0.249 1028 N C -1.997 173.353 175.510 -0.267 0.000 1.299 1028 N CA -0.063 53.002 53.050 0.025 0.000 0.769 1028 N CB 0.886 39.449 38.487 0.127 0.000 1.236 1028 N HN 0.723 nan 8.380 nan 0.000 0.524 1029 C N 2.631 121.695 119.300 -0.394 0.000 2.782 1029 C HA 0.393 4.805 4.460 -0.080 0.000 0.328 1029 C C 1.630 176.465 174.990 -0.259 0.000 1.145 1029 C CA -0.559 58.146 59.018 -0.522 0.000 1.358 1029 C CB 0.432 27.483 27.740 -1.148 0.000 1.841 1029 C HN 0.931 nan 8.230 nan 0.000 0.477 1030 H N 1.568 120.462 119.070 -0.293 0.000 2.457 1030 H HA -0.070 4.468 4.556 -0.030 0.000 0.297 1030 H C 1.063 176.145 175.328 -0.410 0.000 1.092 1030 H CA 2.426 58.264 56.048 -0.350 0.000 1.309 1030 H CB 0.008 29.498 29.762 -0.454 0.000 1.382 1030 H HN 0.862 nan 8.280 nan 0.000 0.535 1031 H N -1.316 117.706 119.070 -0.080 0.000 2.507 1031 H HA 0.359 4.886 4.556 -0.049 0.000 0.294 1031 H C -0.735 174.519 175.328 -0.124 0.000 1.064 1031 H CA -0.147 55.853 56.048 -0.080 0.000 1.138 1031 H CB 0.606 30.395 29.762 0.045 0.000 1.515 1031 H HN 0.003 nan 8.280 nan 0.000 0.547 1032 V N 1.289 121.135 119.914 -0.112 0.000 2.577 1032 V HA 0.120 4.192 4.120 -0.080 0.000 0.303 1032 V C -0.019 176.026 176.094 -0.081 0.000 1.042 1032 V CA -1.153 61.084 62.300 -0.104 0.000 0.872 1032 V CB 2.369 34.081 31.823 -0.185 0.000 0.998 1032 V HN -0.022 nan 8.190 nan 0.000 0.423 1033 V N 4.743 124.633 119.914 -0.040 0.000 2.557 1033 V HA 0.100 4.172 4.120 -0.080 0.000 0.301 1033 V C 0.766 176.850 176.094 -0.016 0.000 1.026 1033 V CA 0.222 62.501 62.300 -0.034 0.000 1.137 1033 V CB 0.248 32.063 31.823 -0.013 0.000 0.917 1033 V HN 0.838 nan 8.190 nan 0.000 0.484 1034 R N 3.526 124.011 120.500 -0.025 0.000 2.410 1034 R HA 0.483 4.776 4.340 -0.080 0.000 0.288 1034 R C -0.565 175.726 176.300 -0.015 0.000 1.051 1034 R CA -0.778 55.319 56.100 -0.005 0.000 1.021 1034 R CB 0.931 31.238 30.300 0.012 0.000 1.032 1034 R HN 0.640 nan 8.270 nan 0.000 0.481 1035 L N 5.247 126.434 121.223 -0.060 0.000 2.292 1035 L HA 0.245 4.537 4.340 -0.080 0.000 0.284 1035 L C -0.248 176.663 176.870 0.069 0.000 1.065 1035 L CA 0.303 55.075 54.840 -0.113 0.000 0.806 1035 L CB 1.163 43.004 42.059 -0.364 0.000 1.175 1035 L HN 0.803 nan 8.230 nan 0.000 0.431 1036 L N 4.430 125.728 121.223 0.125 0.000 2.537 1036 L HA 0.567 4.859 4.340 -0.080 0.000 0.224 1036 L C 0.869 177.926 176.870 0.313 0.000 1.065 1036 L CA 0.346 55.330 54.840 0.240 0.000 0.860 1036 L CB 0.204 42.336 42.059 0.122 0.000 1.086 1036 L HN 0.839 nan 8.230 nan 0.000 0.482 1037 G N -0.764 108.182 108.800 0.243 0.000 2.466 1037 G HA2 0.484 4.396 3.960 -0.080 0.000 0.291 1037 G HA3 0.484 4.396 3.960 -0.080 0.000 0.291 1037 G C -2.136 172.842 174.900 0.129 0.000 1.460 1037 G CA -0.371 44.875 45.100 0.244 0.000 0.791 1037 G HN -0.317 nan 8.290 nan 0.000 0.505 1038 V N -0.161 119.832 119.914 0.132 0.000 2.686 1038 V HA 0.557 4.630 4.120 -0.080 0.000 0.306 1038 V C -0.551 175.574 176.094 0.050 0.000 1.065 1038 V CA -0.626 61.701 62.300 0.045 0.000 0.894 1038 V CB 2.094 33.929 31.823 0.019 0.000 1.004 1038 V HN 0.751 nan 8.190 nan 0.000 0.424 1039 V N 3.823 123.748 119.914 0.019 0.000 2.259 1039 V HA 0.288 4.360 4.120 -0.080 0.000 0.267 1039 V C 0.878 176.967 176.094 -0.008 0.000 1.051 1039 V CA 0.321 62.634 62.300 0.021 0.000 0.830 1039 V CB 0.999 32.835 31.823 0.022 0.000 1.080 1039 V HN 0.941 nan 8.190 nan 0.000 0.467 1040 S N 3.191 118.885 115.700 -0.011 0.000 2.511 1040 S HA 0.161 4.583 4.470 -0.080 0.000 0.214 1040 S C 0.811 175.419 174.600 0.013 0.000 0.997 1040 S CA -0.049 58.121 58.200 -0.049 0.000 0.908 1040 S CB 0.219 63.358 63.200 -0.103 0.000 0.803 1040 S HN 0.777 nan 8.310 nan 0.000 0.504 1041 Q N 1.926 121.746 119.800 0.033 0.000 2.389 1041 Q HA 0.503 4.795 4.340 -0.080 0.000 0.244 1041 Q C 0.451 176.460 176.000 0.015 0.000 1.056 1041 Q CA 0.044 55.867 55.803 0.033 0.000 0.908 1041 Q CB 0.767 29.529 28.738 0.040 0.000 1.273 1041 Q HN 0.487 nan 8.270 nan 0.000 0.471 1042 G N 2.403 111.209 108.800 0.010 0.000 2.757 1042 G HA2 -0.228 3.684 3.960 -0.080 0.000 0.638 1042 G HA3 -0.228 3.684 3.960 -0.080 0.000 0.638 1042 G C -1.002 173.893 174.900 -0.009 0.000 1.344 1042 G CA -0.949 44.151 45.100 0.000 0.000 0.855 1042 G HN 0.516 nan 8.290 nan 0.000 0.537 1043 Q N 0.744 120.536 119.800 -0.014 0.000 2.235 1043 Q HA 0.649 4.941 4.340 -0.080 0.000 0.256 1043 Q C -1.791 174.193 176.000 -0.026 0.000 0.951 1043 Q CA -1.222 54.566 55.803 -0.024 0.000 0.890 1043 Q CB 1.537 30.259 28.738 -0.025 0.000 1.279 1043 Q HN 0.624 nan 8.270 nan 0.000 0.444 1044 P HA 0.187 nan 4.420 nan 0.000 0.279 1044 P C -0.898 176.381 177.300 -0.035 0.000 1.252 1044 P CA -0.574 62.500 63.100 -0.044 0.000 0.811 1044 P CB 0.902 32.570 31.700 -0.053 0.000 1.035 1045 T N 2.153 116.677 114.554 -0.050 0.000 2.814 1045 T HA 0.428 4.730 4.350 -0.080 0.000 0.297 1045 T C 0.235 174.962 174.700 0.045 0.000 0.956 1045 T CA -0.007 62.084 62.100 -0.016 0.000 1.123 1045 T CB -0.162 68.682 68.868 -0.041 0.000 0.902 1045 T HN 0.187 nan 8.240 nan 0.000 0.528 1046 L N 2.594 123.882 121.223 0.108 0.000 2.371 1046 L HA 0.802 5.094 4.340 -0.080 0.000 0.262 1046 L C -0.848 176.115 176.870 0.154 0.000 1.006 1046 L CA -1.338 53.600 54.840 0.164 0.000 0.818 1046 L CB 2.151 44.255 42.059 0.075 0.000 1.354 1046 L HN 0.270 nan 8.230 nan 0.000 0.415 1047 V N 3.077 123.083 119.914 0.153 0.000 2.483 1047 V HA 0.441 4.513 4.120 -0.080 0.000 0.297 1047 V C -0.417 175.693 176.094 0.026 0.000 1.027 1047 V CA -0.440 61.850 62.300 -0.017 0.000 0.855 1047 V CB 2.189 33.864 31.823 -0.247 0.000 0.995 1047 V HN 0.396 nan 8.190 nan 0.000 0.424 1048 I N 5.994 126.575 120.570 0.018 0.000 2.336 1048 I HA 0.546 4.668 4.170 -0.080 0.000 0.292 1048 I C 0.001 176.133 176.117 0.024 0.000 0.991 1048 I CA -0.157 61.167 61.300 0.039 0.000 1.227 1048 I CB 1.299 39.332 38.000 0.055 0.000 1.366 1048 I HN 0.465 nan 8.210 nan 0.000 0.466 1049 M N 3.719 123.334 119.600 0.024 0.000 2.690 1049 M HA 0.385 4.817 4.480 -0.080 0.000 0.302 1049 M C 0.038 176.348 176.300 0.018 0.000 1.234 1049 M CA -0.797 54.509 55.300 0.011 0.000 0.853 1049 M CB 1.991 34.590 32.600 -0.002 0.000 1.748 1049 M HN 0.520 nan 8.290 nan 0.000 0.469 1050 E N 1.535 121.740 120.200 0.008 0.000 2.414 1050 E HA 0.147 4.449 4.350 -0.080 0.000 0.263 1050 E C -1.282 175.315 176.600 -0.005 0.000 1.000 1050 E CA -0.371 56.029 56.400 -0.000 0.000 0.914 1050 E CB 0.792 30.481 29.700 -0.019 0.000 0.948 1050 E HN 0.488 nan 8.360 nan 0.000 0.444 1051 L N 5.441 126.661 121.223 -0.005 0.000 2.319 1051 L HA 0.201 4.493 4.340 -0.080 0.000 0.280 1051 L C -0.748 176.107 176.870 -0.025 0.000 1.099 1051 L CA 0.240 55.077 54.840 -0.006 0.000 0.828 1051 L CB 0.924 42.983 42.059 -0.001 0.000 1.150 1051 L HN 0.631 nan 8.230 nan 0.000 0.442 1052 M N 5.107 124.692 119.600 -0.025 0.000 2.016 1052 M HA 0.173 4.605 4.480 -0.080 0.000 0.315 1052 M C 1.221 177.496 176.300 -0.041 0.000 0.930 1052 M CA -0.231 55.043 55.300 -0.044 0.000 0.899 1052 M CB 0.625 33.203 32.600 -0.035 0.000 1.401 1052 M HN 0.785 nan 8.290 nan 0.000 0.386 1053 T N -0.545 113.974 114.554 -0.059 0.000 2.849 1053 T HA -0.126 4.177 4.350 -0.080 0.000 0.270 1053 T C 1.384 176.058 174.700 -0.044 0.000 1.066 1053 T CA 1.250 63.319 62.100 -0.052 0.000 1.130 1053 T CB -0.084 68.743 68.868 -0.069 0.000 0.864 1053 T HN 0.610 nan 8.240 nan 0.000 0.481 1054 R N 1.274 121.733 120.500 -0.069 0.000 2.320 1054 R HA 0.428 4.720 4.340 -0.080 0.000 0.211 1054 R C 1.608 177.939 176.300 0.052 0.000 0.931 1054 R CA 0.182 56.271 56.100 -0.018 0.000 1.071 1054 R CB -0.308 29.936 30.300 -0.093 0.000 1.025 1054 R HN 0.616 nan 8.270 nan 0.000 0.495 1055 G N 2.161 110.980 108.800 0.033 0.000 2.645 1055 G HA2 -0.367 3.545 3.960 -0.080 0.000 0.246 1055 G HA3 -0.367 3.545 3.960 -0.080 0.000 0.246 1055 G C -0.677 174.270 174.900 0.078 0.000 1.322 1055 G CA -0.066 45.072 45.100 0.063 0.000 0.898 1055 G HN 0.567 nan 8.290 nan 0.000 0.573 1056 D N -0.619 119.850 120.400 0.116 0.000 2.362 1056 D HA 0.397 4.989 4.640 -0.080 0.000 0.242 1056 D C 1.567 177.950 176.300 0.139 0.000 1.132 1056 D CA -0.106 53.966 54.000 0.121 0.000 0.907 1056 D CB 0.966 41.864 40.800 0.164 0.000 1.195 1056 D HN 0.758 nan 8.370 nan 0.000 0.429 1057 L N 1.774 123.058 121.223 0.101 0.000 2.131 1057 L HA -0.106 4.186 4.340 -0.080 0.000 0.210 1057 L C 2.074 179.036 176.870 0.152 0.000 1.092 1057 L CA 1.737 56.659 54.840 0.137 0.000 0.759 1057 L CB -0.723 41.387 42.059 0.086 0.000 0.903 1057 L HN 0.688 nan 8.230 nan 0.000 0.435 1058 K N -1.126 119.309 120.400 0.057 0.000 2.026 1058 K HA -0.135 4.137 4.320 -0.080 0.000 0.208 1058 K C 2.037 178.688 176.600 0.084 0.000 1.048 1058 K CA 1.656 57.943 56.287 0.000 0.000 0.929 1058 K CB -0.116 32.225 32.500 -0.265 0.000 0.713 1058 K HN 0.378 nan 8.250 nan 0.000 0.439 1059 S N -0.027 115.771 115.700 0.164 0.000 2.368 1059 S HA -0.161 4.261 4.470 -0.080 0.000 0.224 1059 S C 1.616 176.309 174.600 0.154 0.000 1.029 1059 S CA 1.197 59.512 58.200 0.192 0.000 0.988 1059 S CB -0.514 62.821 63.200 0.225 0.000 0.838 1059 S HN 0.456 nan 8.310 nan 0.000 0.462 1060 Y N 2.325 122.673 120.300 0.080 0.000 2.165 1060 Y HA -0.126 4.379 4.550 -0.074 0.000 0.286 1060 Y C 1.875 177.815 175.900 0.067 0.000 1.155 1060 Y CA 1.303 59.451 58.100 0.080 0.000 1.164 1060 Y CB -0.460 38.055 38.460 0.091 0.000 0.978 1060 Y HN 0.135 nan 8.280 nan 0.000 0.513 1061 L N -0.113 121.141 121.223 0.052 0.000 2.017 1061 L HA -0.234 4.058 4.340 -0.080 0.000 0.208 1061 L C 2.633 179.442 176.870 -0.103 0.000 1.073 1061 L CA 1.633 56.444 54.840 -0.048 0.000 0.745 1061 L CB -0.492 41.599 42.059 0.054 0.000 0.894 1061 L HN 0.168 nan 8.230 nan 0.000 0.432 1062 R N -0.282 120.196 120.500 -0.036 0.000 2.120 1062 R HA -0.134 4.158 4.340 -0.080 0.000 0.234 1062 R C 2.455 178.719 176.300 -0.061 0.000 1.123 1062 R CA 1.502 57.585 56.100 -0.027 0.000 0.975 1062 R CB -0.446 29.872 30.300 0.031 0.000 0.866 1062 R HN 0.453 nan 8.270 nan 0.000 0.446 1063 S N 0.789 116.431 115.700 -0.097 0.000 2.474 1063 S HA -0.034 4.388 4.470 -0.080 0.000 0.235 1063 S C 1.741 176.248 174.600 -0.154 0.000 0.997 1063 S CA 0.726 58.860 58.200 -0.110 0.000 0.949 1063 S CB -0.178 62.958 63.200 -0.108 0.000 0.766 1063 S HN 0.272 nan 8.310 nan 0.000 0.517 1064 L N 0.168 121.265 121.223 -0.209 0.000 2.592 1064 L HA 0.294 4.586 4.340 -0.080 0.000 0.227 1064 L C 1.162 177.964 176.870 -0.113 0.000 1.127 1064 L CA -0.263 54.466 54.840 -0.185 0.000 0.884 1064 L CB -0.261 41.655 42.059 -0.238 0.000 1.065 1064 L HN 0.083 nan 8.230 nan 0.000 0.457 1065 R N 0.973 121.419 120.500 -0.090 0.000 2.623 1065 R HA 0.018 4.310 4.340 -0.080 0.000 0.271 1065 R C -1.050 175.217 176.300 -0.054 0.000 1.043 1065 R CA -1.070 54.991 56.100 -0.066 0.000 1.083 1065 R CB 0.233 30.503 30.300 -0.050 0.000 0.974 1065 R HN -0.116 nan 8.270 nan 0.000 0.436 1066 P HA -0.134 nan 4.420 nan 0.000 0.216 1066 P C 0.184 177.465 177.300 -0.032 0.000 1.150 1066 P CA 1.549 64.624 63.100 -0.041 0.000 0.837 1066 P CB 0.279 31.955 31.700 -0.040 0.000 0.786 1077 P HA 0.310 nan 4.420 nan 0.000 0.275 1077 P C -0.211 177.064 177.300 -0.041 0.000 1.227 1077 P CA -0.275 62.806 63.100 -0.031 0.000 0.781 1077 P CB 0.747 32.448 31.700 0.001 0.000 0.906 1078 S N 1.741 117.415 115.700 -0.043 0.000 2.608 1078 S HA 0.019 4.441 4.470 -0.080 0.000 0.261 1078 S C 1.256 175.833 174.600 -0.038 0.000 1.314 1078 S CA -0.688 57.487 58.200 -0.041 0.000 0.992 1078 S CB 0.289 63.465 63.200 -0.040 0.000 0.935 1078 S HN 0.438 nan 8.310 nan 0.000 0.564 1079 L N 1.414 122.614 121.223 -0.037 0.000 2.079 1079 L HA -0.070 4.222 4.340 -0.080 0.000 0.210 1079 L C 2.649 179.499 176.870 -0.035 0.000 1.081 1079 L CA 2.495 57.314 54.840 -0.036 0.000 0.752 1079 L CB -1.355 40.684 42.059 -0.033 0.000 0.896 1079 L HN 0.989 nan 8.230 nan 0.000 0.433 1080 S N -1.256 114.424 115.700 -0.034 0.000 2.402 1080 S HA -0.163 4.259 4.470 -0.080 0.000 0.229 1080 S C 2.073 176.653 174.600 -0.034 0.000 1.021 1080 S CA 0.903 59.083 58.200 -0.034 0.000 0.974 1080 S CB -0.326 62.856 63.200 -0.031 0.000 0.800 1080 S HN 0.428 nan 8.310 nan 0.000 0.484 1081 K N 0.901 121.282 120.400 -0.032 0.000 2.155 1081 K HA 0.204 4.476 4.320 -0.080 0.000 0.203 1081 K C 2.099 178.690 176.600 -0.015 0.000 1.052 1081 K CA 1.017 57.288 56.287 -0.025 0.000 0.948 1081 K CB -0.556 31.924 32.500 -0.034 0.000 0.728 1081 K HN 0.511 nan 8.250 nan 0.000 0.448 1082 M N -0.013 119.575 119.600 -0.021 0.000 2.175 1082 M HA -0.057 4.375 4.480 -0.080 0.000 0.264 1082 M C 2.094 178.380 176.300 -0.023 0.000 1.063 1082 M CA 1.259 56.547 55.300 -0.020 0.000 1.119 1082 M CB -0.247 32.333 32.600 -0.033 0.000 1.377 1082 M HN 0.002 nan 8.290 nan 0.000 0.415 1083 I N -0.152 120.398 120.570 -0.033 0.000 2.315 1083 I HA -0.286 3.836 4.170 -0.080 0.000 0.248 1083 I C 2.589 178.669 176.117 -0.060 0.000 1.117 1083 I CA 1.151 62.424 61.300 -0.044 0.000 1.404 1083 I CB -0.320 37.646 38.000 -0.057 0.000 1.071 1083 I HN 0.309 nan 8.210 nan 0.000 0.419 1084 Q N 1.183 120.950 119.800 -0.055 0.000 2.050 1084 Q HA -0.209 4.083 4.340 -0.080 0.000 0.202 1084 Q C 2.208 178.191 176.000 -0.029 0.000 0.980 1084 Q CA 2.004 57.771 55.803 -0.060 0.000 0.840 1084 Q CB -0.207 28.519 28.738 -0.019 0.000 0.898 1084 Q HN 0.392 nan 8.270 nan 0.000 0.424 1085 M N -0.569 119.035 119.600 0.006 0.000 2.080 1085 M HA -0.183 4.249 4.480 -0.080 0.000 0.260 1085 M C 2.219 178.551 176.300 0.053 0.000 1.068 1085 M CA 1.658 56.977 55.300 0.032 0.000 1.109 1085 M CB -0.535 32.087 32.600 0.038 0.000 1.342 1085 M HN 0.359 nan 8.290 nan 0.000 0.405 1086 A N 0.613 123.468 122.820 0.058 0.000 1.908 1086 A HA -0.097 4.175 4.320 -0.080 0.000 0.218 1086 A C 2.364 180.072 177.584 0.207 0.000 1.181 1086 A CA 2.068 54.215 52.037 0.185 0.000 0.627 1086 A CB -1.605 17.480 19.000 0.142 0.000 0.818 1086 A HN 0.573 nan 8.150 nan 0.000 0.445 1087 G N -0.686 108.117 108.800 0.005 0.000 2.422 1087 G HA2 -0.185 3.728 3.960 -0.080 0.000 0.218 1087 G HA3 -0.185 3.728 3.960 -0.080 0.000 0.218 1087 G C 1.440 176.273 174.900 -0.111 0.000 1.146 1087 G CA 0.993 46.009 45.100 -0.141 0.000 0.769 1087 G HN 0.665 nan 8.290 nan 0.000 0.547 1088 E N -0.022 120.104 120.200 -0.123 0.000 2.072 1088 E HA -0.028 4.274 4.350 -0.080 0.000 0.191 1088 E C 2.497 179.003 176.600 -0.157 0.000 0.985 1088 E CA 0.547 56.764 56.400 -0.305 0.000 0.801 1088 E CB -0.120 29.509 29.700 -0.118 0.000 0.750 1088 E HN 0.469 nan 8.360 nan 0.000 0.452 1089 I N 1.151 121.735 120.570 0.024 0.000 2.226 1089 I HA -0.252 3.870 4.170 -0.080 0.000 0.245 1089 I C 2.505 178.612 176.117 -0.017 0.000 1.100 1089 I CA 0.979 62.332 61.300 0.089 0.000 1.374 1089 I CB -0.242 37.915 38.000 0.263 0.000 1.057 1089 I HN 0.079 nan 8.210 nan 0.000 0.413 1090 A N 0.085 122.895 122.820 -0.018 0.000 1.969 1090 A HA -0.264 4.008 4.320 -0.080 0.000 0.218 1090 A C 1.958 179.470 177.584 -0.120 0.000 1.169 1090 A CA 2.116 54.008 52.037 -0.241 0.000 0.635 1090 A CB -0.619 18.253 19.000 -0.212 0.000 0.810 1090 A HN 0.433 nan 8.150 nan 0.000 0.445 1091 D N -0.607 119.809 120.400 0.027 0.000 2.117 1091 D HA -0.030 4.562 4.640 -0.080 0.000 0.198 1091 D C 2.001 178.386 176.300 0.141 0.000 0.982 1091 D CA 1.587 55.706 54.000 0.199 0.000 0.828 1091 D CB -0.370 40.601 40.800 0.285 0.000 0.967 1091 D HN 0.290 nan 8.370 nan 0.000 0.464 1092 G N -0.026 108.799 108.800 0.041 0.000 2.418 1092 G HA2 -0.218 3.695 3.960 -0.080 0.000 0.217 1092 G HA3 -0.218 3.695 3.960 -0.080 0.000 0.217 1092 G C 1.509 176.322 174.900 -0.145 0.000 1.158 1092 G CA 0.687 45.783 45.100 -0.007 0.000 0.771 1092 G HN 0.170 nan 8.290 nan 0.000 0.545 1093 M N 1.107 120.494 119.600 -0.355 0.000 2.200 1093 M HA 0.147 4.579 4.480 -0.080 0.000 0.265 1093 M C 2.994 179.012 176.300 -0.471 0.000 1.066 1093 M CA 1.067 55.973 55.300 -0.658 0.000 1.127 1093 M CB -1.216 30.370 32.600 -1.690 0.000 1.379 1093 M HN 0.307 nan 8.290 nan 0.000 0.420 1094 A N -0.847 121.815 122.820 -0.262 0.000 1.933 1094 A HA -0.222 4.050 4.320 -0.080 0.000 0.218 1094 A C 2.154 179.645 177.584 -0.156 0.000 1.175 1094 A CA 1.430 53.514 52.037 0.078 0.000 0.628 1094 A CB -1.122 18.101 19.000 0.372 0.000 0.814 1094 A HN 0.534 nan 8.150 nan 0.000 0.444 1095 Y N 0.472 120.432 120.300 -0.566 0.000 2.200 1095 Y HA -0.139 4.374 4.550 -0.061 0.000 0.290 1095 Y C 1.885 177.441 175.900 -0.575 0.000 1.137 1095 Y CA 1.879 59.287 58.100 -1.153 0.000 1.163 1095 Y CB -0.274 37.707 38.460 -0.799 0.000 0.988 1095 Y HN 0.211 nan 8.280 nan 0.000 0.518 1096 L N 0.192 121.211 121.223 -0.340 0.000 2.027 1096 L HA -0.238 4.054 4.340 -0.080 0.000 0.206 1096 L C 2.164 178.970 176.870 -0.107 0.000 1.074 1096 L CA 1.452 56.129 54.840 -0.272 0.000 0.745 1096 L CB -0.730 41.190 42.059 -0.232 0.000 0.898 1096 L HN 0.220 nan 8.230 nan 0.000 0.433 1097 N N 0.357 119.007 118.700 -0.083 0.000 2.166 1097 N HA -0.146 4.546 4.740 -0.080 0.000 0.186 1097 N C 1.837 177.320 175.510 -0.044 0.000 1.019 1097 N CA 1.472 54.524 53.050 0.002 0.000 0.856 1097 N CB -0.342 38.214 38.487 0.116 0.000 0.993 1097 N HN 0.319 nan 8.380 nan 0.000 0.426 1098 A N 0.541 123.293 122.820 -0.114 0.000 1.972 1098 A HA -0.056 4.216 4.320 -0.080 0.000 0.219 1098 A C 1.514 179.027 177.584 -0.118 0.000 1.169 1098 A CA 1.308 53.300 52.037 -0.076 0.000 0.635 1098 A CB -0.494 18.482 19.000 -0.041 0.000 0.810 1098 A HN 0.337 nan 8.150 nan 0.000 0.446 1099 N N -1.160 117.430 118.700 -0.183 0.000 2.313 1099 N HA 0.187 4.879 4.740 -0.080 0.000 0.207 1099 N C -0.194 175.229 175.510 -0.146 0.000 1.141 1099 N CA 0.001 53.011 53.050 -0.065 0.000 0.830 1099 N CB 0.389 38.893 38.487 0.029 0.000 1.008 1099 N HN 0.190 nan 8.380 nan 0.000 0.481 1100 K N -1.017 119.280 120.400 -0.172 0.000 3.341 1100 K HA -0.166 4.107 4.320 -0.080 0.000 0.305 1100 K C -1.242 175.115 176.600 -0.406 0.000 1.270 1100 K CA 0.563 56.682 56.287 -0.281 0.000 0.897 1100 K CB -2.135 30.170 32.500 -0.325 0.000 1.264 1100 K HN 0.202 nan 8.250 nan 0.000 0.468 1101 F N -0.351 119.568 119.950 -0.052 0.000 2.408 1101 F HA 0.456 4.937 4.527 -0.077 0.000 0.344 1101 F C 0.746 176.535 175.800 -0.018 0.000 1.112 1101 F CA -1.017 56.971 58.000 -0.021 0.000 1.096 1101 F CB 1.299 40.297 39.000 -0.002 0.000 1.129 1101 F HN -0.311 nan 8.300 nan 0.000 0.486 1102 V N 4.176 124.179 119.914 0.147 0.000 2.384 1102 V HA 0.117 4.189 4.120 -0.080 0.000 0.287 1102 V C 1.007 177.193 176.094 0.153 0.000 1.020 1102 V CA -0.565 61.821 62.300 0.144 0.000 0.850 1102 V CB 1.100 32.989 31.823 0.110 0.000 0.987 1102 V HN 0.845 nan 8.190 nan 0.000 0.436 1103 H N 5.426 124.569 119.070 0.122 0.000 2.293 1103 H HA -0.078 4.429 4.556 -0.082 0.000 0.300 1103 H C 1.582 177.003 175.328 0.156 0.000 1.082 1103 H CA 2.402 58.530 56.048 0.133 0.000 1.308 1103 H CB 0.375 30.215 29.762 0.131 0.000 1.375 1103 H HN 0.746 nan 8.280 nan 0.000 0.495 1104 R N -1.142 119.552 120.500 0.322 0.000 3.749 1104 R HA -0.172 4.120 4.340 -0.080 0.000 0.476 1104 R C -0.237 176.211 176.300 0.246 0.000 0.814 1104 R CA 1.295 57.410 56.100 0.024 0.000 1.494 1104 R CB -1.493 28.530 30.300 -0.461 0.000 2.164 1104 R HN 0.324 nan 8.270 nan 0.000 0.473 1105 D N 0.351 121.116 120.400 0.607 0.000 2.940 1105 D HA 0.155 4.747 4.640 -0.080 0.000 0.366 1105 D C -0.997 175.383 176.300 0.135 0.000 1.446 1105 D CA -0.431 53.767 54.000 0.330 0.000 0.780 1105 D CB 0.329 41.154 40.800 0.041 0.000 1.206 1105 D HN 0.044 nan 8.370 nan 0.000 0.454 1106 L N 1.590 122.816 121.223 0.005 0.000 2.410 1106 L HA 0.616 4.908 4.340 -0.080 0.000 0.273 1106 L C -0.478 176.364 176.870 -0.046 0.000 1.144 1106 L CA 0.359 55.067 54.840 -0.220 0.000 0.863 1106 L CB 0.515 42.542 42.059 -0.054 0.000 1.140 1106 L HN 0.197 nan 8.230 nan 0.000 0.463 1107 A N 3.808 126.546 122.820 -0.138 0.000 2.583 1107 A HA 0.651 4.924 4.320 -0.080 0.000 0.292 1107 A C 0.431 177.955 177.584 -0.100 0.000 1.045 1107 A CA -0.173 51.741 52.037 -0.205 0.000 0.672 1107 A CB 0.129 18.590 19.000 -0.899 0.000 1.283 1107 A HN 1.124 nan 8.150 nan 0.000 0.419 1108 A N 0.809 123.634 122.820 0.008 0.000 1.940 1108 A HA -0.171 4.101 4.320 -0.080 0.000 0.219 1108 A C 1.954 179.495 177.584 -0.071 0.000 1.176 1108 A CA 2.191 54.232 52.037 0.007 0.000 0.631 1108 A CB -0.651 18.389 19.000 0.067 0.000 0.814 1108 A HN 1.228 nan 8.150 nan 0.000 0.446 1109 R N -0.878 119.499 120.500 -0.206 0.000 2.193 1109 R HA -0.040 4.252 4.340 -0.080 0.000 0.229 1109 R C 0.220 176.491 176.300 -0.049 0.000 1.110 1109 R CA 1.569 57.537 56.100 -0.221 0.000 0.988 1109 R CB -0.418 29.606 30.300 -0.461 0.000 0.871 1109 R HN 0.344 nan 8.270 nan 0.000 0.458 1110 N N 0.004 118.664 118.700 -0.067 0.000 2.279 1110 N HA 0.136 4.828 4.740 -0.080 0.000 0.226 1110 N C -0.978 174.546 175.510 0.023 0.000 1.126 1110 N CA -0.108 52.948 53.050 0.009 0.000 0.846 1110 N CB 0.577 39.083 38.487 0.032 0.000 1.050 1110 N HN 0.149 nan 8.380 nan 0.000 0.502 1111 C N 0.521 119.828 119.300 0.012 0.000 2.614 1111 C HA 0.606 5.018 4.460 -0.080 0.000 0.320 1111 C C 0.251 175.259 174.990 0.031 0.000 1.200 1111 C CA -0.777 58.255 59.018 0.022 0.000 1.700 1111 C CB 1.555 29.308 27.740 0.022 0.000 2.275 1111 C HN 0.202 nan 8.230 nan 0.000 0.492 1112 M N 1.484 121.096 119.600 0.020 0.000 2.716 1112 M HA 0.629 5.062 4.480 -0.080 0.000 0.307 1112 M C -1.224 175.061 176.300 -0.026 0.000 1.223 1112 M CA -0.674 54.631 55.300 0.009 0.000 0.871 1112 M CB 1.948 34.552 32.600 0.007 0.000 1.739 1112 M HN 0.285 nan 8.290 nan 0.000 0.475 1113 V N 1.240 121.118 119.914 -0.059 0.000 2.444 1113 V HA 0.608 4.680 4.120 -0.080 0.000 0.294 1113 V C 0.070 176.075 176.094 -0.149 0.000 1.022 1113 V CA -0.863 61.353 62.300 -0.140 0.000 0.850 1113 V CB 1.350 32.994 31.823 -0.298 0.000 0.992 1113 V HN 0.998 nan 8.190 nan 0.000 0.426 1114 A N 2.969 125.702 122.820 -0.144 0.000 2.296 1114 A HA 0.449 4.721 4.320 -0.080 0.000 0.264 1114 A C 1.308 178.738 177.584 -0.257 0.000 1.097 1114 A CA -0.118 51.829 52.037 -0.149 0.000 0.811 1114 A CB 0.293 19.232 19.000 -0.101 0.000 1.072 1114 A HN 0.840 nan 8.150 nan 0.000 0.495 1115 E N 0.494 120.563 120.200 -0.218 0.000 2.086 1115 E HA -0.231 4.071 4.350 -0.080 0.000 0.200 1115 E C 0.988 177.331 176.600 -0.428 0.000 1.012 1115 E CA 1.952 58.178 56.400 -0.291 0.000 0.812 1115 E CB -0.223 29.386 29.700 -0.153 0.000 0.743 1115 E HN 0.816 nan 8.360 nan 0.000 0.453 1116 D N -1.479 118.797 120.400 -0.207 0.000 2.338 1116 D HA -0.116 4.476 4.640 -0.080 0.000 0.239 1116 D C 0.266 176.632 176.300 0.109 0.000 1.095 1116 D CA -0.050 53.926 54.000 -0.040 0.000 0.888 1116 D CB -0.646 40.190 40.800 0.061 0.000 0.899 1116 D HN 0.176 nan 8.370 nan 0.000 0.525 1117 F N -1.637 118.289 119.950 -0.041 0.000 2.656 1117 F HA -0.249 4.229 4.527 -0.082 0.000 0.381 1117 F C 0.563 176.315 175.800 -0.079 0.000 0.603 1117 F CA 0.771 58.710 58.000 -0.101 0.000 1.335 1117 F CB -2.559 36.404 39.000 -0.062 0.000 1.836 1117 F HN -0.105 nan 8.300 nan 0.000 0.290 1118 T N 2.087 116.699 114.554 0.096 0.000 2.928 1118 T HA 0.410 4.713 4.350 -0.080 0.000 0.305 1118 T C 0.512 175.243 174.700 0.052 0.000 1.035 1118 T CA -0.091 62.077 62.100 0.113 0.000 1.145 1118 T CB 1.243 70.181 68.868 0.117 0.000 0.963 1118 T HN 0.048 nan 8.240 nan 0.000 0.545 1119 V N 4.947 124.914 119.914 0.088 0.000 2.481 1119 V HA 0.484 4.557 4.120 -0.080 0.000 0.286 1119 V C 0.228 176.378 176.094 0.094 0.000 1.042 1119 V CA -0.506 61.826 62.300 0.052 0.000 0.928 1119 V CB 1.385 33.235 31.823 0.044 0.000 0.986 1119 V HN 0.768 nan 8.190 nan 0.000 0.462 1120 K N 3.940 124.367 120.400 0.045 0.000 2.508 1120 K HA 0.582 4.855 4.320 -0.080 0.000 0.260 1120 K C -1.401 175.213 176.600 0.023 0.000 0.949 1120 K CA -0.971 55.342 56.287 0.043 0.000 0.834 1120 K CB 2.562 35.050 32.500 -0.020 0.000 1.365 1120 K HN 0.335 nan 8.250 nan 0.000 0.437 1121 I N 2.025 122.604 120.570 0.014 0.000 2.588 1121 I HA 0.135 4.257 4.170 -0.080 0.000 0.283 1121 I C 1.032 177.175 176.117 0.044 0.000 1.119 1121 I CA 0.407 61.717 61.300 0.016 0.000 1.419 1121 I CB 0.326 38.319 38.000 -0.012 0.000 1.394 1121 I HN 0.802 nan 8.210 nan 0.000 0.562 1122 G N 4.907 113.762 108.800 0.091 0.000 2.828 1122 G HA2 0.430 4.342 3.960 -0.080 0.000 0.244 1122 G HA3 0.430 4.342 3.960 -0.080 0.000 0.244 1122 G C -0.922 174.088 174.900 0.183 0.000 1.365 1122 G CA -0.527 44.636 45.100 0.105 0.000 1.041 1122 G HN 0.533 nan 8.290 nan 0.000 0.560 1123 D N -0.557 119.923 120.400 0.135 0.000 2.372 1123 D HA 0.301 4.894 4.640 -0.080 0.000 0.243 1123 D C -0.030 176.356 176.300 0.144 0.000 1.121 1123 D CA -0.198 53.875 54.000 0.121 0.000 0.898 1123 D CB 0.897 41.747 40.800 0.082 0.000 1.202 1123 D HN 0.232 nan 8.370 nan 0.000 0.428 1124 F N 1.755 121.619 119.950 -0.143 0.000 2.578 1124 F HA 0.325 4.803 4.527 -0.082 0.000 0.376 1124 F C 1.400 177.209 175.800 0.015 0.000 1.085 1124 F CA 0.850 58.763 58.000 -0.145 0.000 1.260 1124 F CB -0.108 38.725 39.000 -0.278 0.000 1.095 1124 F HN 0.595 nan 8.300 nan 0.000 0.573 1125 G N 6.888 115.297 108.800 -0.651 0.000 2.565 1125 G HA2 -0.406 3.506 3.960 -0.080 0.000 0.295 1125 G HA3 -0.406 3.506 3.960 -0.080 0.000 0.295 1125 G C 0.938 175.761 174.900 -0.128 0.000 1.165 1125 G CA 1.186 45.999 45.100 -0.479 0.000 0.977 1125 G HN 2.065 nan 8.290 nan 0.000 0.546 1126 M N -2.590 116.977 119.600 -0.056 0.000 2.860 1126 M HA -0.216 4.216 4.480 -0.080 0.000 0.166 1126 M C 0.461 176.784 176.300 0.038 0.000 0.669 1126 M CA 3.401 58.728 55.300 0.045 0.000 0.635 1126 M CB -2.024 30.620 32.600 0.074 0.000 2.308 1126 M HN 1.431 nan 8.290 nan 0.000 0.268 1127 T N 1.251 115.828 114.554 0.037 0.000 3.532 1127 T HA 0.428 4.730 4.350 -0.080 0.000 0.241 1127 T C 0.584 175.368 174.700 0.141 0.000 1.238 1127 T CA 0.132 62.300 62.100 0.115 0.000 1.405 1127 T CB 0.392 69.386 68.868 0.210 0.000 0.971 1127 T HN 0.547 nan 8.240 nan 0.000 0.640 1128 R N 0.606 121.074 120.500 -0.053 0.000 2.191 1128 R HA 0.110 4.402 4.340 -0.080 0.000 0.196 1128 R C 1.550 177.739 176.300 -0.185 0.000 0.991 1128 R CA 0.470 56.409 56.100 -0.267 0.000 1.075 1128 R CB 0.240 30.146 30.300 -0.658 0.000 1.040 1128 R HN 0.190 nan 8.270 nan 0.000 0.526 1129 D N 0.256 120.556 120.400 -0.167 0.000 2.347 1129 D HA -0.089 4.503 4.640 -0.080 0.000 0.213 1129 D C 1.437 177.664 176.300 -0.122 0.000 0.985 1129 D CA 0.390 54.301 54.000 -0.148 0.000 0.879 1129 D CB 0.286 40.974 40.800 -0.187 0.000 0.919 1129 D HN 0.284 nan 8.370 nan 0.000 0.526 1130 I N -0.702 119.786 120.570 -0.137 0.000 2.585 1130 I HA 0.080 4.202 4.170 -0.080 0.000 0.254 1130 I C -0.073 175.791 176.117 -0.421 0.000 1.129 1130 I CA 0.713 61.830 61.300 -0.304 0.000 1.455 1130 I CB 0.059 37.814 38.000 -0.407 0.000 1.111 1130 I HN -0.122 nan 8.210 nan 0.000 0.433 1131 Y N 1.615 121.955 120.300 0.067 0.000 2.635 1131 Y HA 0.257 4.758 4.550 -0.080 0.000 0.373 1131 Y C 1.459 177.470 175.900 0.185 0.000 1.000 1131 Y CA -0.541 57.623 58.100 0.107 0.000 1.219 1131 Y CB -0.486 38.029 38.460 0.091 0.000 1.294 1131 Y HN 0.247 nan 8.280 nan 0.000 0.612 1132 E N -1.348 118.978 120.200 0.211 0.000 2.160 1132 E HA -0.234 4.068 4.350 -0.080 0.000 0.195 1132 E C 1.686 178.455 176.600 0.281 0.000 0.991 1132 E CA 1.849 58.378 56.400 0.215 0.000 0.810 1132 E CB -0.305 29.452 29.700 0.094 0.000 0.742 1132 E HN 0.502 nan 8.360 nan 0.000 0.466 1133 T N -1.614 113.084 114.554 0.240 0.000 3.163 1133 T HA -0.037 4.265 4.350 -0.080 0.000 0.260 1133 T C 0.788 175.628 174.700 0.234 0.000 1.156 1133 T CA 0.785 63.015 62.100 0.217 0.000 1.072 1133 T CB -0.050 68.920 68.868 0.171 0.000 0.937 1133 T HN -0.026 nan 8.240 nan 0.000 0.528 1134 D N 0.150 120.693 120.400 0.238 0.000 2.340 1134 D HA 0.207 4.799 4.640 -0.080 0.000 0.220 1134 D C -0.660 175.510 176.300 -0.217 0.000 1.039 1134 D CA 0.247 54.285 54.000 0.063 0.000 0.866 1134 D CB 0.032 40.698 40.800 -0.224 0.000 0.913 1134 D HN 0.540 nan 8.370 nan 0.000 0.523 1135 Y N -0.854 119.563 120.300 0.196 0.000 2.536 1135 Y HA 0.452 4.953 4.550 -0.081 0.000 0.347 1135 Y C -0.808 175.251 175.900 0.265 0.000 1.000 1135 Y CA -1.343 56.873 58.100 0.192 0.000 1.051 1135 Y CB 1.609 40.130 38.460 0.102 0.000 1.259 1135 Y HN -0.246 nan 8.280 nan 0.000 0.468 1136 Y N 1.523 121.971 120.300 0.247 0.000 2.457 1136 Y HA 0.510 5.012 4.550 -0.080 0.000 0.343 1136 Y C -0.911 175.076 175.900 0.146 0.000 0.994 1136 Y CA -1.937 56.260 58.100 0.161 0.000 1.031 1136 Y CB 1.607 40.139 38.460 0.119 0.000 1.246 1136 Y HN 0.662 nan 8.280 nan 0.000 0.449 1137 R N 5.836 126.067 120.500 -0.448 0.000 2.248 1137 R HA 0.408 4.700 4.340 -0.080 0.000 0.337 1137 R C -0.947 174.994 176.300 -0.599 0.000 1.106 1137 R CA -0.008 55.859 56.100 -0.387 0.000 0.959 1137 R CB 0.012 30.182 30.300 -0.217 0.000 1.075 1137 R HN 0.837 nan 8.270 nan 0.000 0.480 1138 K N 1.896 122.112 120.400 -0.306 0.000 2.556 1138 K HA 0.393 4.665 4.320 -0.080 0.000 0.289 1138 K C -1.251 175.330 176.600 -0.032 0.000 1.040 1138 K CA -0.293 55.887 56.287 -0.179 0.000 0.894 1138 K CB 1.340 33.767 32.500 -0.122 0.000 1.547 1138 K HN 0.582 nan 8.250 nan 0.000 0.417 1139 G N 0.262 109.063 108.800 0.001 0.000 2.349 1139 G HA2 0.045 3.957 3.960 -0.080 0.000 0.223 1139 G HA3 0.045 3.957 3.960 -0.080 0.000 0.223 1139 G C 0.709 175.627 174.900 0.030 0.000 0.736 1139 G CA 0.900 46.016 45.100 0.028 0.000 1.073 1139 G HN 1.578 nan 8.290 nan 0.000 0.308 1140 G N 1.769 110.580 108.800 0.017 0.000 2.258 1140 G HA2 -0.234 3.678 3.960 -0.080 0.000 0.274 1140 G HA3 -0.234 3.678 3.960 -0.080 0.000 0.274 1140 G C 0.661 175.565 174.900 0.008 0.000 1.021 1140 G CA 1.095 46.205 45.100 0.018 0.000 0.798 1140 G HN 2.146 nan 8.290 nan 0.000 0.507 1141 K N -1.488 118.904 120.400 -0.014 0.000 3.356 1141 K HA -0.139 4.133 4.320 -0.080 0.000 0.270 1141 K C 0.963 177.550 176.600 -0.022 0.000 0.901 1141 K CA 0.962 57.225 56.287 -0.040 0.000 0.688 1141 K CB -1.304 31.173 32.500 -0.039 0.000 1.460 1141 K HN 1.404 nan 8.250 nan 0.000 0.458 1142 G N 0.792 109.594 108.800 0.002 0.000 2.481 1142 G HA2 0.528 4.440 3.960 -0.080 0.000 0.315 1142 G HA3 0.528 4.440 3.960 -0.080 0.000 0.315 1142 G C -0.520 174.408 174.900 0.048 0.000 1.231 1142 G CA -0.913 44.206 45.100 0.032 0.000 0.968 1142 G HN 0.144 nan 8.290 nan 0.000 0.482 1143 L N 1.414 122.670 121.223 0.055 0.000 2.500 1143 L HA 0.234 4.526 4.340 -0.080 0.000 0.272 1143 L C -0.099 176.913 176.870 0.237 0.000 1.149 1143 L CA 0.529 55.435 54.840 0.110 0.000 0.897 1143 L CB 0.030 42.101 42.059 0.020 0.000 1.178 1143 L HN 0.255 nan 8.230 nan 0.000 0.473 1144 L N 6.601 128.017 121.223 0.322 0.000 2.354 1144 L HA 0.461 4.753 4.340 -0.080 0.000 0.269 1144 L C -2.081 175.018 176.870 0.382 0.000 1.005 1144 L CA -1.629 53.441 54.840 0.384 0.000 0.819 1144 L CB 2.871 45.125 42.059 0.324 0.000 1.311 1144 L HN 0.362 nan 8.230 nan 0.000 0.423 1145 P HA 0.026 nan 4.420 nan 0.000 0.219 1145 P C 1.015 178.507 177.300 0.320 0.000 1.832 1145 P CA -0.226 62.894 63.100 0.033 0.000 1.014 1145 P CB 0.286 31.891 31.700 -0.158 0.000 1.939 1146 V N 1.222 121.307 119.914 0.285 0.000 2.453 1146 V HA -0.260 3.812 4.120 -0.080 0.000 0.252 1146 V C 1.894 178.094 176.094 0.176 0.000 1.068 1146 V CA 1.449 63.882 62.300 0.223 0.000 1.070 1146 V CB -1.372 30.564 31.823 0.189 0.000 0.664 1146 V HN 0.174 nan 8.190 nan 0.000 0.461 1147 R N -1.362 119.276 120.500 0.230 0.000 2.323 1147 R HA 0.093 4.386 4.340 -0.080 0.000 0.198 1147 R C 1.612 177.854 176.300 -0.096 0.000 0.988 1147 R CA 1.067 57.184 56.100 0.028 0.000 1.041 1147 R CB -0.133 30.052 30.300 -0.191 0.000 0.926 1147 R HN 0.660 nan 8.270 nan 0.000 0.476 1148 W N -0.444 120.974 121.300 0.196 0.000 2.870 1148 W HA 0.301 4.913 4.660 -0.080 0.000 0.358 1148 W C 0.029 176.775 176.519 0.377 0.000 1.043 1148 W CA -0.474 57.042 57.345 0.286 0.000 1.692 1148 W CB 0.390 29.965 29.460 0.191 0.000 1.100 1148 W HN -0.011 nan 8.180 nan 0.000 0.557 1149 M N 1.067 120.891 119.600 0.374 0.000 2.274 1149 M HA 0.103 4.535 4.480 -0.080 0.000 0.344 1149 M C 1.147 177.189 176.300 -0.429 0.000 1.161 1149 M CA 0.133 55.514 55.300 0.134 0.000 1.126 1149 M CB 1.434 34.102 32.600 0.114 0.000 1.522 1149 M HN -0.254 nan 8.290 nan 0.000 0.461 1150 S N 2.251 117.550 115.700 -0.668 0.000 2.589 1150 S HA 0.229 4.651 4.470 -0.080 0.000 0.265 1150 S C -2.165 171.868 174.600 -0.945 0.000 1.342 1150 S CA -1.049 56.358 58.200 -1.322 0.000 1.005 1150 S CB 0.262 63.079 63.200 -0.639 0.000 0.909 1150 S HN 0.456 nan 8.310 nan 0.000 0.555 1151 P HA -0.121 nan 4.420 nan 0.000 0.217 1151 P C 1.698 178.721 177.300 -0.461 0.000 1.150 1151 P CA 1.240 63.953 63.100 -0.646 0.000 0.832 1151 P CB -0.087 31.161 31.700 -0.754 0.000 0.787 1152 E N -0.138 119.775 120.200 -0.478 0.000 2.106 1152 E HA -0.108 4.194 4.350 -0.080 0.000 0.192 1152 E C 1.668 178.094 176.600 -0.290 0.000 0.984 1152 E CA 1.509 57.721 56.400 -0.313 0.000 0.806 1152 E CB -1.248 28.301 29.700 -0.252 0.000 0.750 1152 E HN 0.125 nan 8.360 nan 0.000 0.458 1153 S N 1.334 116.810 115.700 -0.373 0.000 2.383 1153 S HA 0.003 4.425 4.470 -0.080 0.000 0.227 1153 S C 2.147 176.541 174.600 -0.343 0.000 1.026 1153 S CA 0.897 58.809 58.200 -0.480 0.000 0.981 1153 S CB -0.278 62.484 63.200 -0.731 0.000 0.818 1153 S HN 0.211 nan 8.310 nan 0.000 0.472 1154 L N 0.987 122.045 121.223 -0.275 0.000 2.201 1154 L HA -0.103 4.190 4.340 -0.080 0.000 0.212 1154 L C 2.356 179.154 176.870 -0.120 0.000 1.105 1154 L CA 1.092 55.834 54.840 -0.163 0.000 0.775 1154 L CB -0.333 41.624 42.059 -0.169 0.000 0.913 1154 L HN 0.273 nan 8.230 nan 0.000 0.440 1155 K N 0.044 120.358 120.400 -0.143 0.000 2.067 1155 K HA -0.098 4.174 4.320 -0.080 0.000 0.203 1155 K C 1.184 177.736 176.600 -0.079 0.000 1.048 1155 K CA 1.532 57.763 56.287 -0.093 0.000 0.954 1155 K CB -0.042 32.405 32.500 -0.089 0.000 0.737 1155 K HN 0.359 nan 8.250 nan 0.000 0.444 1156 D N -1.594 118.743 120.400 -0.105 0.000 2.469 1156 D HA 0.097 4.689 4.640 -0.080 0.000 0.213 1156 D C 0.928 177.179 176.300 -0.082 0.000 1.135 1156 D CA 0.386 54.340 54.000 -0.077 0.000 0.834 1156 D CB 0.594 41.354 40.800 -0.066 0.000 1.009 1156 D HN 0.248 nan 8.370 nan 0.000 0.507 1157 G N -0.042 108.677 108.800 -0.135 0.000 2.155 1157 G HA2 -0.257 3.655 3.960 -0.080 0.000 0.257 1157 G HA3 -0.257 3.655 3.960 -0.080 0.000 0.257 1157 G C 0.117 174.912 174.900 -0.175 0.000 0.983 1157 G CA 0.502 45.525 45.100 -0.127 0.000 0.676 1157 G HN 0.415 nan 8.290 nan 0.000 0.528 1158 V N 0.543 120.317 119.914 -0.232 0.000 2.481 1158 V HA 0.721 4.794 4.120 -0.080 0.000 0.286 1158 V C 0.121 176.039 176.094 -0.293 0.000 1.042 1158 V CA -0.530 61.688 62.300 -0.137 0.000 0.928 1158 V CB 1.198 32.996 31.823 -0.042 0.000 0.986 1158 V HN 0.199 nan 8.190 nan 0.000 0.462 1159 F N 2.540 122.520 119.950 0.049 0.000 2.469 1159 F HA 0.728 5.208 4.527 -0.079 0.000 0.332 1159 F C 0.597 176.426 175.800 0.049 0.000 1.103 1159 F CA -0.400 57.643 58.000 0.072 0.000 0.979 1159 F CB 2.199 41.264 39.000 0.107 0.000 1.137 1159 F HN 0.611 nan 8.300 nan 0.000 0.463 1160 T N -2.874 111.809 114.554 0.215 0.000 2.804 1160 T HA 0.222 4.524 4.350 -0.080 0.000 0.290 1160 T C 0.669 175.392 174.700 0.038 0.000 1.099 1160 T CA -0.204 61.930 62.100 0.056 0.000 1.011 1160 T CB 1.366 70.219 68.868 -0.025 0.000 1.291 1160 T HN 0.526 nan 8.240 nan 0.000 0.523 1161 T N -0.976 113.478 114.554 -0.168 0.000 2.833 1161 T HA -0.080 4.222 4.350 -0.080 0.000 0.269 1161 T C 1.233 175.921 174.700 -0.020 0.000 1.054 1161 T CA 1.558 63.614 62.100 -0.073 0.000 1.135 1161 T CB -0.846 67.927 68.868 -0.158 0.000 0.869 1161 T HN 0.584 nan 8.240 nan 0.000 0.466 1162 Y N 1.914 122.280 120.300 0.111 0.000 2.242 1162 Y HA -0.004 4.499 4.550 -0.079 0.000 0.291 1162 Y C 3.068 179.063 175.900 0.158 0.000 1.137 1162 Y CA 0.982 59.131 58.100 0.082 0.000 1.181 1162 Y CB -1.076 37.417 38.460 0.055 0.000 0.989 1162 Y HN 0.372 nan 8.280 nan 0.000 0.527 1163 S N -0.872 115.019 115.700 0.317 0.000 2.461 1163 S HA -0.115 4.307 4.470 -0.080 0.000 0.228 1163 S C 1.446 176.313 174.600 0.445 0.000 1.005 1163 S CA 1.065 59.464 58.200 0.331 0.000 0.942 1163 S CB -0.272 63.058 63.200 0.216 0.000 0.776 1163 S HN 0.285 nan 8.310 nan 0.000 0.514 1164 D N 1.619 122.267 120.400 0.413 0.000 2.144 1164 D HA 0.021 4.613 4.640 -0.080 0.000 0.200 1164 D C 2.011 178.638 176.300 0.545 0.000 0.978 1164 D CA 0.695 54.998 54.000 0.506 0.000 0.833 1164 D CB -0.381 40.741 40.800 0.538 0.000 0.961 1164 D HN 0.294 nan 8.370 nan 0.000 0.470 1165 V N 0.859 120.922 119.914 0.248 0.000 2.427 1165 V HA -0.183 3.889 4.120 -0.080 0.000 0.248 1165 V C 2.129 178.401 176.094 0.297 0.000 1.051 1165 V CA 1.147 63.425 62.300 -0.037 0.000 1.048 1165 V CB -0.389 31.236 31.823 -0.330 0.000 0.666 1165 V HN 0.415 nan 8.190 nan 0.000 0.456 1166 W N 1.002 122.448 121.300 0.243 0.000 2.333 1166 W HA -0.228 4.384 4.660 -0.080 0.000 0.316 1166 W C 2.483 179.272 176.519 0.450 0.000 1.215 1166 W CA 2.189 59.747 57.345 0.355 0.000 1.278 1166 W CB -0.604 29.026 29.460 0.285 0.000 1.154 1166 W HN 0.318 nan 8.180 nan 0.000 0.486 1167 S N 0.780 116.925 115.700 0.741 0.000 2.383 1167 S HA -0.239 4.183 4.470 -0.080 0.000 0.229 1167 S C 1.544 176.462 174.600 0.531 0.000 1.030 1167 S CA 1.638 60.242 58.200 0.673 0.000 1.002 1167 S CB -1.063 62.507 63.200 0.618 0.000 0.829 1167 S HN 0.345 nan 8.310 nan 0.000 0.467 1168 F N 2.635 122.803 119.950 0.364 0.000 2.126 1168 F HA -0.076 4.403 4.527 -0.080 0.000 0.299 1168 F C 2.264 178.152 175.800 0.146 0.000 1.096 1168 F CA 1.313 59.487 58.000 0.290 0.000 1.255 1168 F CB -1.011 38.228 39.000 0.399 0.000 0.997 1168 F HN 0.216 nan 8.300 nan 0.000 0.479 1169 G N -0.068 108.745 108.800 0.022 0.000 2.440 1169 G HA2 -0.237 3.675 3.960 -0.080 0.000 0.218 1169 G HA3 -0.237 3.675 3.960 -0.080 0.000 0.218 1169 G C 1.705 176.604 174.900 -0.003 0.000 1.154 1169 G CA 1.314 46.185 45.100 -0.381 0.000 0.767 1169 G HN 0.361 nan 8.290 nan 0.000 0.552 1170 V N 0.523 120.636 119.914 0.331 0.000 2.427 1170 V HA -0.144 3.928 4.120 -0.080 0.000 0.248 1170 V C 2.988 179.256 176.094 0.289 0.000 1.051 1170 V CA 1.303 63.786 62.300 0.306 0.000 1.048 1170 V CB -0.296 31.547 31.823 0.033 0.000 0.666 1170 V HN 0.252 nan 8.190 nan 0.000 0.456 1171 V N -0.080 119.959 119.914 0.209 0.000 2.343 1171 V HA -0.250 3.822 4.120 -0.080 0.000 0.247 1171 V C 2.342 178.428 176.094 -0.013 0.000 1.051 1171 V CA 1.851 64.228 62.300 0.129 0.000 1.036 1171 V CB -0.556 31.298 31.823 0.050 0.000 0.654 1171 V HN 0.444 nan 8.190 nan 0.000 0.451 1172 L N -1.589 119.508 121.223 -0.210 0.000 2.042 1172 L HA -0.232 4.060 4.340 -0.080 0.000 0.210 1172 L C 2.329 179.190 176.870 -0.014 0.000 1.076 1172 L CA 2.272 56.982 54.840 -0.215 0.000 0.749 1172 L CB -0.547 41.297 42.059 -0.358 0.000 0.893 1172 L HN 0.517 nan 8.230 nan 0.000 0.432 1173 W N 1.370 122.629 121.300 -0.068 0.000 2.358 1173 W HA -0.190 4.421 4.660 -0.081 0.000 0.303 1173 W C 2.454 178.975 176.519 0.002 0.000 1.208 1173 W CA 1.614 58.977 57.345 0.028 0.000 1.274 1173 W CB 0.026 29.581 29.460 0.157 0.000 1.138 1173 W HN 0.092 nan 8.180 nan 0.000 0.515 1174 E N 0.058 120.436 120.200 0.297 0.000 2.077 1174 E HA -0.257 4.045 4.350 -0.080 0.000 0.193 1174 E C 2.104 178.688 176.600 -0.027 0.000 0.989 1174 E CA 1.809 58.306 56.400 0.161 0.000 0.800 1174 E CB -0.493 29.373 29.700 0.277 0.000 0.746 1174 E HN 0.380 nan 8.360 nan 0.000 0.452 1175 I N 1.061 121.621 120.570 -0.017 0.000 2.179 1175 I HA -0.244 3.878 4.170 -0.080 0.000 0.242 1175 I C 2.462 178.512 176.117 -0.112 0.000 1.088 1175 I CA 0.966 62.242 61.300 -0.040 0.000 1.357 1175 I CB -0.246 37.736 38.000 -0.030 0.000 1.051 1175 I HN 0.064 nan 8.210 nan 0.000 0.409 1176 A N 0.096 122.813 122.820 -0.173 0.000 2.121 1176 A HA -0.143 4.130 4.320 -0.080 0.000 0.218 1176 A C 2.057 179.443 177.584 -0.330 0.000 1.154 1176 A CA 1.919 53.821 52.037 -0.226 0.000 0.679 1176 A CB -0.790 18.081 19.000 -0.216 0.000 0.795 1176 A HN 0.538 nan 8.150 nan 0.000 0.458 1177 T N -4.230 110.062 114.554 -0.436 0.000 3.084 1177 T HA 0.453 4.755 4.350 -0.080 0.000 0.270 1177 T C 0.437 174.976 174.700 -0.268 0.000 1.008 1177 T CA 0.141 61.961 62.100 -0.466 0.000 0.900 1177 T CB -0.456 67.888 68.868 -0.873 0.000 1.084 1177 T HN 0.546 nan 8.240 nan 0.000 0.538 1178 L N 0.666 121.781 121.223 -0.181 0.000 3.597 1178 L HA -0.221 4.071 4.340 -0.080 0.000 0.440 1178 L C 0.851 177.683 176.870 -0.064 0.000 1.277 1178 L CA 0.105 54.883 54.840 -0.103 0.000 0.852 1178 L CB -2.341 39.658 42.059 -0.100 0.000 1.708 1178 L HN 0.797 nan 8.230 nan 0.000 0.885 1179 A N -0.766 122.027 122.820 -0.044 0.000 2.667 1179 A HA -0.204 4.068 4.320 -0.080 0.000 0.298 1179 A C 0.740 178.366 177.584 0.069 0.000 1.483 1179 A CA 1.662 53.727 52.037 0.046 0.000 0.738 1179 A CB -1.163 17.872 19.000 0.060 0.000 1.067 1179 A HN 0.693 nan 8.150 nan 0.000 0.451 1180 E N -0.008 120.207 120.200 0.025 0.000 2.397 1180 E HA 0.285 4.587 4.350 -0.080 0.000 0.254 1180 E C 0.382 177.145 176.600 0.271 0.000 1.231 1180 E CA -0.578 55.880 56.400 0.098 0.000 0.954 1180 E CB 0.239 29.953 29.700 0.022 0.000 1.024 1180 E HN 0.535 nan 8.360 nan 0.000 0.481 1181 Q N 1.619 121.550 119.800 0.218 0.000 2.288 1181 Q HA 0.225 4.517 4.340 -0.080 0.000 0.258 1181 Q C -2.247 173.779 176.000 0.042 0.000 0.957 1181 Q CA -1.920 53.977 55.803 0.158 0.000 0.919 1181 Q CB 0.643 29.447 28.738 0.111 0.000 1.185 1181 Q HN 0.211 nan 8.270 nan 0.000 0.408 1182 P HA -0.019 nan 4.420 nan 0.000 0.268 1182 P C -0.959 176.003 177.300 -0.565 0.000 1.205 1182 P CA -0.003 62.541 63.100 -0.927 0.000 0.771 1182 P CB 0.199 31.142 31.700 -1.262 0.000 0.858 1183 Y N -1.279 118.730 120.300 -0.484 0.000 3.589 1183 Y HA -0.249 4.253 4.550 -0.080 0.000 0.218 1183 Y C 0.640 176.404 175.900 -0.227 0.000 1.234 1183 Y CA 0.317 58.204 58.100 -0.354 0.000 1.576 1183 Y CB -3.024 35.216 38.460 -0.366 0.000 1.487 1183 Y HN 0.445 nan 8.280 nan 0.000 0.616 1184 Q N 0.509 120.275 119.800 -0.057 0.000 2.263 1184 Q HA 0.294 4.586 4.340 -0.080 0.000 0.289 1184 Q C 1.394 177.372 176.000 -0.037 0.000 1.061 1184 Q CA 1.495 57.291 55.803 -0.013 0.000 0.927 1184 Q CB 0.386 29.142 28.738 0.030 0.000 1.154 1184 Q HN 0.727 nan 8.270 nan 0.000 0.378 1185 G N 2.392 111.168 108.800 -0.040 0.000 2.238 1185 G HA2 -0.219 3.693 3.960 -0.080 0.000 0.217 1185 G HA3 -0.219 3.693 3.960 -0.080 0.000 0.217 1185 G C -0.148 174.700 174.900 -0.087 0.000 0.996 1185 G CA -0.494 44.571 45.100 -0.057 0.000 0.632 1185 G HN 0.490 nan 8.290 nan 0.000 0.503 1186 L N 2.396 123.554 121.223 -0.108 0.000 2.309 1186 L HA 0.613 4.905 4.340 -0.080 0.000 0.282 1186 L C 1.337 178.134 176.870 -0.122 0.000 1.036 1186 L CA -0.289 54.462 54.840 -0.147 0.000 0.806 1186 L CB 1.744 43.662 42.059 -0.234 0.000 1.220 1186 L HN 0.431 nan 8.230 nan 0.000 0.429 1187 S N 1.374 116.999 115.700 -0.125 0.000 2.641 1187 S HA 0.147 4.569 4.470 -0.080 0.000 0.261 1187 S C 0.865 175.343 174.600 -0.203 0.000 1.257 1187 S CA -0.640 57.479 58.200 -0.134 0.000 0.983 1187 S CB 0.765 63.895 63.200 -0.116 0.000 0.990 1187 S HN 0.598 nan 8.310 nan 0.000 0.572 1188 N N 0.960 119.477 118.700 -0.304 0.000 2.120 1188 N HA -0.115 4.577 4.740 -0.080 0.000 0.188 1188 N C 1.628 176.868 175.510 -0.449 0.000 1.024 1188 N CA 1.521 54.271 53.050 -0.501 0.000 0.852 1188 N CB -0.692 37.153 38.487 -1.070 0.000 1.003 1188 N HN 0.825 nan 8.380 nan 0.000 0.424 1189 E N 1.281 121.267 120.200 -0.357 0.000 2.150 1189 E HA -0.080 4.222 4.350 -0.080 0.000 0.193 1189 E C 1.733 178.266 176.600 -0.113 0.000 0.985 1189 E CA 1.134 57.437 56.400 -0.162 0.000 0.814 1189 E CB -0.078 29.582 29.700 -0.067 0.000 0.752 1189 E HN 0.381 nan 8.360 nan 0.000 0.466 1190 Q N -0.624 119.097 119.800 -0.131 0.000 2.119 1190 Q HA -0.068 4.225 4.340 -0.080 0.000 0.201 1190 Q C 2.195 178.117 176.000 -0.129 0.000 0.972 1190 Q CA 1.354 57.092 55.803 -0.107 0.000 0.847 1190 Q CB 0.116 28.780 28.738 -0.123 0.000 0.903 1190 Q HN 0.191 nan 8.270 nan 0.000 0.433 1191 V N 1.343 121.133 119.914 -0.206 0.000 2.287 1191 V HA -0.293 3.779 4.120 -0.080 0.000 0.248 1191 V C 2.198 178.169 176.094 -0.204 0.000 1.053 1191 V CA 1.641 63.762 62.300 -0.299 0.000 1.027 1191 V CB -0.636 30.973 31.823 -0.356 0.000 0.646 1191 V HN 0.380 nan 8.190 nan 0.000 0.447 1192 L N -0.772 120.370 121.223 -0.135 0.000 2.012 1192 L HA -0.193 4.099 4.340 -0.080 0.000 0.210 1192 L C 2.861 179.693 176.870 -0.062 0.000 1.073 1192 L CA 1.537 56.327 54.840 -0.083 0.000 0.748 1192 L CB -0.844 41.203 42.059 -0.020 0.000 0.891 1192 L HN 0.236 nan 8.230 nan 0.000 0.431 1193 R N -0.250 120.231 120.500 -0.032 0.000 2.075 1193 R HA -0.120 4.172 4.340 -0.080 0.000 0.232 1193 R C 2.086 178.398 176.300 0.021 0.000 1.126 1193 R CA 1.189 57.286 56.100 -0.005 0.000 0.963 1193 R CB -1.228 29.076 30.300 0.007 0.000 0.858 1193 R HN 0.234 nan 8.270 nan 0.000 0.435 1194 F N 0.996 120.860 119.950 -0.143 0.000 2.046 1194 F HA -0.226 4.253 4.527 -0.080 0.000 0.297 1194 F C 2.186 177.911 175.800 -0.124 0.000 1.123 1194 F CA 1.514 59.431 58.000 -0.139 0.000 1.199 1194 F CB -0.525 38.352 39.000 -0.205 0.000 0.972 1194 F HN -0.241 nan 8.300 nan 0.000 0.474 1195 V N 0.678 120.527 119.914 -0.108 0.000 2.343 1195 V HA -0.352 3.720 4.120 -0.080 0.000 0.247 1195 V C 2.485 178.513 176.094 -0.110 0.000 1.051 1195 V CA 2.208 64.406 62.300 -0.170 0.000 1.036 1195 V CB -0.662 31.040 31.823 -0.201 0.000 0.654 1195 V HN 0.411 nan 8.190 nan 0.000 0.451 1196 M N 0.424 119.971 119.600 -0.089 0.000 2.279 1196 M HA -0.149 4.283 4.480 -0.080 0.000 0.264 1196 M C 1.709 178.052 176.300 0.072 0.000 1.062 1196 M CA 1.551 56.846 55.300 -0.009 0.000 1.099 1196 M CB -0.314 32.264 32.600 -0.037 0.000 1.394 1196 M HN 0.583 nan 8.290 nan 0.000 0.426 1197 E N -0.400 119.769 120.200 -0.051 0.000 2.394 1197 E HA 0.299 4.601 4.350 -0.080 0.000 0.191 1197 E C 0.900 177.371 176.600 -0.215 0.000 1.044 1197 E CA 0.468 56.792 56.400 -0.127 0.000 0.939 1197 E CB -0.297 29.334 29.700 -0.116 0.000 1.089 1197 E HN 0.403 nan 8.360 nan 0.000 0.456 1198 G N -0.515 108.204 108.800 -0.136 0.000 2.176 1198 G HA2 -0.252 3.660 3.960 -0.080 0.000 0.253 1198 G HA3 -0.252 3.660 3.960 -0.080 0.000 0.253 1198 G C 0.575 175.333 174.900 -0.237 0.000 0.979 1198 G CA -0.268 44.752 45.100 -0.132 0.000 0.641 1198 G HN 0.782 nan 8.290 nan 0.000 0.530 1199 G N -0.350 108.089 108.800 -0.602 0.000 2.491 1199 G HA2 0.567 4.479 3.960 -0.080 0.000 0.242 1199 G HA3 0.567 4.479 3.960 -0.080 0.000 0.242 1199 G C -0.000 174.579 174.900 -0.534 0.000 1.266 1199 G CA -0.059 44.311 45.100 -1.217 0.000 0.844 1199 G HN 0.728 nan 8.290 nan 0.000 0.571 1200 L N 0.732 121.863 121.223 -0.153 0.000 2.333 1200 L HA 0.443 4.735 4.340 -0.080 0.000 0.263 1200 L C 0.140 177.103 176.870 0.156 0.000 1.014 1200 L CA -1.031 53.821 54.840 0.020 0.000 0.820 1200 L CB 2.072 44.166 42.059 0.059 0.000 1.352 1200 L HN 0.318 nan 8.230 nan 0.000 0.421 1201 L N 0.978 122.044 121.223 -0.262 0.000 2.467 1201 L HA 0.105 4.397 4.340 -0.080 0.000 0.270 1201 L C -0.168 176.786 176.870 0.139 0.000 1.205 1201 L CA -0.099 54.531 54.840 -0.349 0.000 0.828 1201 L CB 0.211 41.608 42.059 -1.103 0.000 1.101 1201 L HN 0.472 nan 8.230 nan 0.000 0.479 1202 D N 2.200 122.714 120.400 0.189 0.000 2.304 1202 D HA 0.095 4.687 4.640 -0.080 0.000 0.247 1202 D C -0.227 176.230 176.300 0.263 0.000 1.089 1202 D CA -0.474 53.658 54.000 0.221 0.000 0.910 1202 D CB 0.936 41.810 40.800 0.124 0.000 1.199 1202 D HN 0.227 nan 8.370 nan 0.000 0.426 1203 K N 2.148 122.434 120.400 -0.190 0.000 2.472 1203 K HA 0.167 4.439 4.320 -0.080 0.000 0.280 1203 K C -2.453 174.032 176.600 -0.192 0.000 1.028 1203 K CA -1.331 54.588 56.287 -0.613 0.000 1.045 1203 K CB -0.644 31.066 32.500 -1.317 0.000 0.902 1203 K HN 0.095 nan 8.250 nan 0.000 0.478 1204 P HA 0.008 nan 4.420 nan 0.000 0.270 1204 P C -0.205 176.993 177.300 -0.170 0.000 1.223 1204 P CA -0.053 62.932 63.100 -0.192 0.000 0.785 1204 P CB 0.479 31.966 31.700 -0.354 0.000 0.923 1205 D N 1.666 121.977 120.400 -0.149 0.000 2.455 1205 D HA -0.043 4.549 4.640 -0.080 0.000 0.241 1205 D C 0.345 176.575 176.300 -0.117 0.000 1.138 1205 D CA 0.668 54.598 54.000 -0.118 0.000 0.877 1205 D CB -0.166 40.575 40.800 -0.098 0.000 1.187 1205 D HN 0.402 nan 8.370 nan 0.000 0.451 1206 N N 0.546 119.188 118.700 -0.098 0.000 2.721 1206 N HA -0.219 4.474 4.740 -0.080 0.000 0.249 1206 N C -0.469 174.988 175.510 -0.087 0.000 1.072 1206 N CA 0.369 53.369 53.050 -0.084 0.000 0.710 1206 N CB -1.154 37.288 38.487 -0.074 0.000 0.993 1206 N HN 0.326 nan 8.380 nan 0.000 0.547 1207 C N 0.900 120.141 119.300 -0.099 0.000 2.415 1207 C HA 0.464 4.876 4.460 -0.080 0.000 0.369 1207 C C -1.778 173.186 174.990 -0.044 0.000 1.279 1207 C CA -1.891 57.079 59.018 -0.080 0.000 1.886 1207 C CB -0.250 27.439 27.740 -0.085 0.000 2.468 1207 C HN 0.246 nan 8.230 nan 0.000 0.553 1208 P HA 0.083 nan 4.420 nan 0.000 0.265 1208 P C 0.480 177.793 177.300 0.022 0.000 1.193 1208 P CA 0.608 63.700 63.100 -0.013 0.000 0.765 1208 P CB 0.531 32.219 31.700 -0.019 0.000 0.823 1209 D N 4.275 124.690 120.400 0.025 0.000 2.133 1209 D HA -0.274 4.318 4.640 -0.080 0.000 0.192 1209 D C 1.521 177.865 176.300 0.073 0.000 1.001 1209 D CA 2.274 56.312 54.000 0.063 0.000 0.844 1209 D CB -0.290 40.534 40.800 0.040 0.000 0.944 1209 D HN 0.421 nan 8.370 nan 0.000 0.447 1210 M N -1.137 118.480 119.600 0.027 0.000 2.374 1210 M HA 0.061 4.493 4.480 -0.080 0.000 0.264 1210 M C 1.806 178.099 176.300 -0.013 0.000 1.067 1210 M CA 1.093 56.395 55.300 0.003 0.000 1.103 1210 M CB -0.434 32.160 32.600 -0.010 0.000 1.402 1210 M HN 0.074 nan 8.290 nan 0.000 0.444 1211 L N -0.456 120.768 121.223 0.002 0.000 2.072 1211 L HA 0.077 4.369 4.340 -0.080 0.000 0.205 1211 L C 2.287 179.141 176.870 -0.027 0.000 1.079 1211 L CA 1.615 56.441 54.840 -0.024 0.000 0.752 1211 L CB -0.921 41.128 42.059 -0.017 0.000 0.906 1211 L HN 0.406 nan 8.230 nan 0.000 0.436 1212 F N 0.425 120.317 119.950 -0.098 0.000 2.234 1212 F HA -0.144 4.335 4.527 -0.080 0.000 0.299 1212 F C 2.305 178.027 175.800 -0.130 0.000 1.087 1212 F CA 1.333 59.274 58.000 -0.099 0.000 1.340 1212 F CB -0.113 38.870 39.000 -0.029 0.000 1.031 1212 F HN 0.209 nan 8.300 nan 0.000 0.500 1213 E N -0.208 119.930 120.200 -0.105 0.000 2.077 1213 E HA -0.239 4.063 4.350 -0.080 0.000 0.193 1213 E C 2.127 178.566 176.600 -0.269 0.000 0.989 1213 E CA 1.284 57.581 56.400 -0.171 0.000 0.800 1213 E CB -0.496 29.169 29.700 -0.059 0.000 0.746 1213 E HN 0.314 nan 8.360 nan 0.000 0.452 1214 L N 0.909 121.992 121.223 -0.233 0.000 2.046 1214 L HA -0.160 4.132 4.340 -0.080 0.000 0.208 1214 L C 2.187 178.791 176.870 -0.443 0.000 1.077 1214 L CA 1.641 56.339 54.840 -0.236 0.000 0.747 1214 L CB -0.404 41.576 42.059 -0.132 0.000 0.896 1214 L HN 0.151 nan 8.230 nan 0.000 0.432 1215 M N -1.133 118.063 119.600 -0.674 0.000 2.080 1215 M HA -0.242 4.190 4.480 -0.080 0.000 0.260 1215 M C 2.320 177.780 176.300 -1.399 0.000 1.068 1215 M CA 1.801 56.321 55.300 -1.300 0.000 1.109 1215 M CB -0.449 31.272 32.600 -1.465 0.000 1.342 1215 M HN 0.180 nan 8.290 nan 0.000 0.405 1216 R N -0.059 119.881 120.500 -0.933 0.000 2.096 1216 R HA -0.058 4.234 4.340 -0.080 0.000 0.235 1216 R C 2.147 178.267 176.300 -0.300 0.000 1.127 1216 R CA 1.344 57.139 56.100 -0.509 0.000 0.968 1216 R CB -0.369 29.679 30.300 -0.419 0.000 0.861 1216 R HN 0.438 nan 8.270 nan 0.000 0.440 1217 M N -0.214 119.201 119.600 -0.308 0.000 2.132 1217 M HA -0.175 4.257 4.480 -0.080 0.000 0.263 1217 M C 2.355 178.555 176.300 -0.168 0.000 1.065 1217 M CA 1.296 56.488 55.300 -0.179 0.000 1.122 1217 M CB -0.286 32.223 32.600 -0.152 0.000 1.365 1217 M HN 0.245 nan 8.290 nan 0.000 0.411 1218 C N -0.807 118.306 119.300 -0.312 0.000 2.432 1218 C HA -0.120 4.293 4.460 -0.080 0.000 0.280 1218 C C 1.649 176.569 174.990 -0.117 0.000 1.353 1218 C CA 0.202 59.074 59.018 -0.244 0.000 1.766 1218 C CB -1.002 26.512 27.740 -0.376 0.000 1.924 1218 C HN 0.651 nan 8.230 nan 0.000 0.509 1219 W N 0.863 121.972 121.300 -0.318 0.000 3.305 1219 W HA 0.291 4.904 4.660 -0.079 0.000 0.392 1219 W C 0.528 177.062 176.519 0.024 0.000 1.121 1219 W CA -0.595 56.466 57.345 -0.473 0.000 1.909 1219 W CB -1.190 27.804 29.460 -0.778 0.000 1.065 1219 W HN 0.378 nan 8.180 nan 0.000 0.714 1220 Q N 0.279 120.228 119.800 0.248 0.000 2.300 1220 Q HA -0.122 4.170 4.340 -0.080 0.000 0.280 1220 Q C 1.045 177.239 176.000 0.323 0.000 1.033 1220 Q CA 0.276 56.216 55.803 0.229 0.000 0.903 1220 Q CB 0.760 29.568 28.738 0.118 0.000 1.195 1220 Q HN 0.321 nan 8.270 nan 0.000 0.386 1221 Y N 2.928 123.341 120.300 0.188 0.000 2.165 1221 Y HA -0.226 4.277 4.550 -0.079 0.000 0.286 1221 Y C 1.001 176.938 175.900 0.063 0.000 1.155 1221 Y CA 1.480 59.659 58.100 0.132 0.000 1.164 1221 Y CB 0.327 38.820 38.460 0.055 0.000 0.978 1221 Y HN 0.565 nan 8.280 nan 0.000 0.513 1222 N N 1.002 119.790 118.700 0.145 0.000 2.411 1222 N HA 0.054 4.747 4.740 -0.080 0.000 0.259 1222 N C -2.123 173.360 175.510 -0.046 0.000 1.103 1222 N CA -1.877 51.191 53.050 0.028 0.000 0.954 1222 N CB 1.246 39.757 38.487 0.039 0.000 1.085 1222 N HN 0.033 nan 8.380 nan 0.000 0.485 1223 P HA -0.133 nan 4.420 nan 0.000 0.217 1223 P C 0.619 177.684 177.300 -0.392 0.000 1.148 1223 P CA 1.515 64.508 63.100 -0.178 0.000 0.828 1223 P CB 0.333 31.919 31.700 -0.191 0.000 0.783 1224 K N -1.027 119.130 120.400 -0.404 0.000 2.365 1224 K HA 0.051 4.323 4.320 -0.080 0.000 0.199 1224 K C 1.839 178.328 176.600 -0.184 0.000 1.045 1224 K CA 0.914 56.966 56.287 -0.392 0.000 0.962 1224 K CB -0.254 32.087 32.500 -0.265 0.000 0.759 1224 K HN 0.218 nan 8.250 nan 0.000 0.469 1225 M N 0.392 119.928 119.600 -0.107 0.000 2.506 1225 M HA 0.032 4.464 4.480 -0.080 0.000 0.260 1225 M C 0.387 176.670 176.300 -0.028 0.000 1.104 1225 M CA 0.622 55.896 55.300 -0.043 0.000 1.112 1225 M CB -0.144 32.453 32.600 -0.005 0.000 1.401 1225 M HN -0.046 nan 8.290 nan 0.000 0.473 1226 R N 2.160 122.644 120.500 -0.027 0.000 2.594 1226 R HA 0.217 4.509 4.340 -0.080 0.000 0.272 1226 R C -2.117 174.170 176.300 -0.021 0.000 1.074 1226 R CA -1.327 54.770 56.100 -0.004 0.000 1.105 1226 R CB -0.172 30.160 30.300 0.052 0.000 1.008 1226 R HN 0.040 nan 8.270 nan 0.000 0.472 1227 P HA 0.010 nan 4.420 nan 0.000 0.274 1227 P C -0.594 176.652 177.300 -0.091 0.000 1.246 1227 P CA -0.406 62.661 63.100 -0.056 0.000 0.795 1227 P CB 0.903 32.559 31.700 -0.073 0.000 1.006 1228 S N -0.103 115.566 115.700 -0.053 0.000 2.652 1228 S HA 0.238 4.660 4.470 -0.080 0.000 0.270 1228 S C 1.072 175.591 174.600 -0.134 0.000 1.243 1228 S CA -0.390 57.769 58.200 -0.068 0.000 0.999 1228 S CB -0.045 63.186 63.200 0.052 0.000 0.973 1228 S HN 0.222 nan 8.310 nan 0.000 0.544 1229 F N 0.362 120.302 119.950 -0.017 0.000 2.202 1229 F HA 0.004 4.486 4.527 -0.075 0.000 0.301 1229 F C 2.067 177.866 175.800 -0.003 0.000 1.082 1229 F CA 0.996 58.938 58.000 -0.098 0.000 1.313 1229 F CB -0.726 38.215 39.000 -0.099 0.000 1.024 1229 F HN 0.469 nan 8.300 nan 0.000 0.495 1230 L N -0.448 120.926 121.223 0.251 0.000 2.046 1230 L HA -0.222 4.070 4.340 -0.080 0.000 0.208 1230 L C 2.337 179.328 176.870 0.201 0.000 1.077 1230 L CA 1.528 56.533 54.840 0.274 0.000 0.747 1230 L CB -0.608 41.582 42.059 0.219 0.000 0.896 1230 L HN 0.150 nan 8.230 nan 0.000 0.432 1231 E N 0.092 120.354 120.200 0.104 0.000 2.106 1231 E HA -0.204 4.098 4.350 -0.080 0.000 0.192 1231 E C 2.252 178.861 176.600 0.015 0.000 0.984 1231 E CA 1.014 57.447 56.400 0.056 0.000 0.806 1231 E CB -0.019 29.695 29.700 0.023 0.000 0.750 1231 E HN 0.461 nan 8.360 nan 0.000 0.458 1232 I N 0.799 121.360 120.570 -0.014 0.000 2.179 1232 I HA -0.298 3.824 4.170 -0.080 0.000 0.242 1232 I C 2.266 178.352 176.117 -0.053 0.000 1.088 1232 I CA 1.136 62.412 61.300 -0.040 0.000 1.357 1232 I CB -0.208 37.734 38.000 -0.097 0.000 1.051 1232 I HN 0.112 nan 8.210 nan 0.000 0.409 1233 I N -0.108 120.423 120.570 -0.064 0.000 2.163 1233 I HA -0.334 3.788 4.170 -0.080 0.000 0.243 1233 I C 2.762 178.686 176.117 -0.322 0.000 1.085 1233 I CA 1.573 62.744 61.300 -0.215 0.000 1.347 1233 I CB -0.433 37.404 38.000 -0.271 0.000 1.044 1233 I HN 0.217 nan 8.210 nan 0.000 0.408 1234 S N 0.425 116.012 115.700 -0.187 0.000 2.400 1234 S HA -0.210 4.213 4.470 -0.080 0.000 0.232 1234 S C 2.181 176.746 174.600 -0.057 0.000 1.025 1234 S CA 1.906 60.059 58.200 -0.080 0.000 0.993 1234 S CB -0.396 62.875 63.200 0.117 0.000 0.808 1234 S HN 0.607 nan 8.310 nan 0.000 0.478 1235 S N 0.991 116.659 115.700 -0.054 0.000 2.489 1235 S HA 0.081 4.503 4.470 -0.080 0.000 0.228 1235 S C 1.503 176.069 174.600 -0.057 0.000 0.995 1235 S CA 0.632 58.808 58.200 -0.039 0.000 0.934 1235 S CB -0.647 62.535 63.200 -0.030 0.000 0.771 1235 S HN 0.826 nan 8.310 nan 0.000 0.522 1236 I N -3.662 116.849 120.570 -0.097 0.000 4.240 1236 I HA 0.461 4.583 4.170 -0.080 0.000 0.331 1236 I C 1.653 177.678 176.117 -0.152 0.000 1.381 1236 I CA -0.589 60.646 61.300 -0.108 0.000 1.136 1236 I CB 0.071 38.008 38.000 -0.105 0.000 1.137 1236 I HN -0.052 nan 8.210 nan 0.000 0.411 1237 K N 2.383 122.681 120.400 -0.171 0.000 2.107 1237 K HA -0.238 4.034 4.320 -0.080 0.000 0.211 1237 K C 2.112 178.687 176.600 -0.043 0.000 1.049 1237 K CA 2.604 58.804 56.287 -0.144 0.000 0.927 1237 K CB -0.106 32.355 32.500 -0.065 0.000 0.714 1237 K HN 0.612 nan 8.250 nan 0.000 0.452 1238 E N 0.434 120.622 120.200 -0.020 0.000 2.204 1238 E HA -0.210 4.092 4.350 -0.080 0.000 0.195 1238 E C 1.098 177.682 176.600 -0.027 0.000 0.990 1238 E CA 1.193 57.592 56.400 -0.001 0.000 0.821 1238 E CB -0.080 29.622 29.700 0.003 0.000 0.750 1238 E HN 0.310 nan 8.360 nan 0.000 0.477 1239 E N 0.234 120.396 120.200 -0.064 0.000 2.478 1239 E HA 0.098 4.400 4.350 -0.080 0.000 0.194 1239 E C 0.543 177.086 176.600 -0.095 0.000 1.045 1239 E CA 0.106 56.464 56.400 -0.069 0.000 0.868 1239 E CB -0.006 29.652 29.700 -0.071 0.000 0.885 1239 E HN 0.287 nan 8.360 nan 0.000 0.505 1240 M N 1.491 121.001 119.600 -0.150 0.000 2.228 1240 M HA 0.096 4.529 4.480 -0.080 0.000 0.351 1240 M C 0.497 176.774 176.300 -0.037 0.000 1.233 1240 M CA -0.002 55.179 55.300 -0.199 0.000 1.129 1240 M CB -0.073 32.207 32.600 -0.535 0.000 1.604 1240 M HN -0.111 nan 8.290 nan 0.000 0.457 1241 E N 3.760 123.965 120.200 0.008 0.000 2.481 1241 E HA -0.072 4.230 4.350 -0.080 0.000 0.263 1241 E C -1.510 175.153 176.600 0.104 0.000 0.992 1241 E CA -1.124 55.311 56.400 0.058 0.000 0.938 1241 E CB -0.032 29.713 29.700 0.075 0.000 0.933 1241 E HN 0.423 nan 8.360 nan 0.000 0.453 1242 P HA -0.276 nan 4.420 nan 0.000 0.221 1242 P C 1.274 178.622 177.300 0.079 0.000 1.160 1242 P CA 1.857 64.992 63.100 0.059 0.000 0.933 1242 P CB -0.077 31.644 31.700 0.034 0.000 0.793 1243 G N -2.308 106.545 108.800 0.088 0.000 2.586 1243 G HA2 -0.255 3.657 3.960 -0.080 0.000 0.215 1243 G HA3 -0.255 3.657 3.960 -0.080 0.000 0.215 1243 G C 1.209 176.177 174.900 0.112 0.000 1.128 1243 G CA -0.049 45.092 45.100 0.068 0.000 0.774 1243 G HN 0.200 nan 8.290 nan 0.000 0.543 1244 F N 1.852 121.837 119.950 0.058 0.000 2.171 1244 F HA -0.065 4.432 4.527 -0.049 0.000 0.300 1244 F C 2.763 178.664 175.800 0.167 0.000 1.090 1244 F CA 1.300 59.385 58.000 0.142 0.000 1.293 1244 F CB 0.013 39.111 39.000 0.163 0.000 1.013 1244 F HN 0.089 nan 8.300 nan 0.000 0.486 1245 R N 0.454 121.004 120.500 0.083 0.000 2.091 1245 R HA -0.206 4.086 4.340 -0.080 0.000 0.238 1245 R C 2.094 178.343 176.300 -0.084 0.000 1.136 1245 R CA 1.904 57.918 56.100 -0.144 0.000 0.959 1245 R CB -0.929 29.167 30.300 -0.340 0.000 0.856 1245 R HN 0.562 nan 8.270 nan 0.000 0.437 1246 E N 1.004 121.154 120.200 -0.084 0.000 2.299 1246 E HA -0.076 4.226 4.350 -0.080 0.000 0.193 1246 E C 1.809 178.332 176.600 -0.128 0.000 0.998 1246 E CA 1.183 57.531 56.400 -0.088 0.000 0.851 1246 E CB 0.113 29.766 29.700 -0.078 0.000 0.795 1246 E HN 0.356 nan 8.360 nan 0.000 0.492 1247 V N -0.573 119.220 119.914 -0.202 0.000 3.523 1247 V HA 0.122 4.194 4.120 -0.080 0.000 0.255 1247 V C 1.175 177.132 176.094 -0.229 0.000 1.226 1247 V CA 0.095 62.200 62.300 -0.326 0.000 1.092 1247 V CB 0.078 31.448 31.823 -0.755 0.000 0.817 1247 V HN 0.240 nan 8.190 nan 0.000 0.458 1248 S N 0.080 115.620 115.700 -0.267 0.000 2.579 1248 S HA 0.247 4.669 4.470 -0.080 0.000 0.275 1248 S C 0.687 175.295 174.600 0.013 0.000 1.345 1248 S CA 0.213 58.264 58.200 -0.248 0.000 1.031 1248 S CB 0.721 63.245 63.200 -1.126 0.000 0.892 1248 S HN 0.495 nan 8.310 nan 0.000 0.529 1249 F N 2.427 122.398 119.950 0.035 0.000 2.206 1249 F HA 0.005 4.474 4.527 -0.096 0.000 0.298 1249 F C 1.903 177.758 175.800 0.091 0.000 1.090 1249 F CA 1.111 59.176 58.000 0.109 0.000 1.323 1249 F CB -0.880 38.253 39.000 0.221 0.000 1.028 1249 F HN 0.834 nan 8.300 nan 0.000 0.492 1250 Y N -0.012 120.161 120.300 -0.211 0.000 2.102 1250 Y HA -0.340 4.157 4.550 -0.088 0.000 0.280 1250 Y C 1.522 177.146 175.900 -0.460 0.000 1.178 1250 Y CA 2.346 60.216 58.100 -0.384 0.000 1.146 1250 Y CB -0.819 37.514 38.460 -0.211 0.000 0.968 1250 Y HN 0.135 nan 8.280 nan 0.000 0.504 1251 Y N 0.215 120.495 120.300 -0.034 0.000 2.461 1251 Y HA 0.165 4.661 4.550 -0.090 0.000 0.277 1251 Y C 1.168 176.988 175.900 -0.134 0.000 1.182 1251 Y CA -0.031 58.029 58.100 -0.067 0.000 1.276 1251 Y CB -0.495 37.989 38.460 0.039 0.000 1.087 1251 Y HN 0.023 nan 8.280 nan 0.000 0.519 1252 S N -0.741 114.905 115.700 -0.089 0.000 2.632 1252 S HA 0.075 4.497 4.470 -0.080 0.000 0.267 1252 S C 1.264 175.808 174.600 -0.093 0.000 1.276 1252 S CA -0.365 57.800 58.200 -0.058 0.000 0.998 1252 S CB 1.519 64.717 63.200 -0.004 0.000 0.953 1252 S HN 0.451 nan 8.310 nan 0.000 0.547 1253 E N 0.539 120.722 120.200 -0.028 0.000 2.338 1253 E HA -0.201 4.101 4.350 -0.080 0.000 0.197 1253 E C 1.580 178.167 176.600 -0.021 0.000 1.007 1253 E CA 1.486 57.871 56.400 -0.025 0.000 0.849 1253 E CB -0.317 29.385 29.700 0.004 0.000 0.774 1253 E HN 0.893 nan 8.360 nan 0.000 0.506 1254 E N -0.002 120.206 120.200 0.013 0.000 2.358 1254 E HA -0.161 4.141 4.350 -0.080 0.000 0.195 1254 E C 0.493 177.094 176.600 0.003 0.000 1.010 1254 E CA 0.519 56.975 56.400 0.093 0.000 0.856 1254 E CB -0.306 29.557 29.700 0.272 0.000 0.795 1254 E HN 0.083 nan 8.360 nan 0.000 0.504 1255 N N 1.252 119.769 118.700 -0.305 0.000 2.807 1255 N HA 0.120 4.812 4.740 -0.080 0.000 0.259 1255 N C -1.208 174.131 175.510 -0.284 0.000 1.149 1255 N CA -0.028 52.702 53.050 -0.533 0.000 1.042 1255 N CB 0.090 37.933 38.487 -1.073 0.000 1.367 1255 N HN -0.021 nan 8.380 nan 0.000 0.516 1256 K N 0.000 120.323 120.400 -0.128 0.000 2.780 1256 K HA 0.000 4.272 4.320 -0.080 0.000 0.191 1256 K CA 0.000 56.237 56.287 -0.083 0.000 0.838 1256 K CB 0.000 32.440 32.500 -0.100 0.000 1.064 1256 K HN 0.000 nan 8.250 nan 0.000 0.543