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 2pi7_1_B DATA FIRST_RESID 963 DATA SEQUENCE RKLTNPVQLD DFDGYIKDMA KDSDYKFSLQ FEELKLIGLD IPHFAADLPM DATA SEQUENCE NRCKNRYTNI LPYDFSRVRL VSMNEEEGSD YINANYIPGY NSPQEYIATQ DATA SEQUENCE GPLPETRNDF WKMVLQQKSQ IIVMLTQCNE KRRVKCDHYW PFTEDPIAYG DATA SEQUENCE DITVEMLSEE EHTDWVYRNF RISYADEVQD VMHFNYTAWP DHGVPTANAA DATA SEQUENCE ESILQFVQMV RQKSVKSKGP MIIHCSAGVG RTGTFIALDW LLQHIRDHEF DATA SEQUENCE VDILGLVSDM RSYRMSMVQT EEQYIFIHQC VQLMWQKKK 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 R HA 0.000 nan 4.340 nan 0.000 0.208 963 R C 0.000 176.296 176.300 -0.007 0.000 0.893 963 R CA 0.000 56.094 56.100 -0.010 0.000 0.921 963 R CB 0.000 30.297 30.300 -0.006 0.000 0.687 964 K N 1.852 122.253 120.400 0.001 0.000 2.281 964 K HA 0.715 5.023 4.320 -0.020 0.000 0.272 964 K C -0.193 176.418 176.600 0.018 0.000 1.048 964 K CA -0.610 55.683 56.287 0.009 0.000 0.898 964 K CB 0.872 33.379 32.500 0.011 0.000 1.128 964 K HN 0.530 nan 8.250 nan 0.000 0.460 965 L N 2.094 123.331 121.223 0.024 0.000 2.331 965 L HA 0.706 5.034 4.340 -0.020 0.000 0.278 965 L C 0.668 177.571 176.870 0.055 0.000 1.106 965 L CA 0.116 54.978 54.840 0.037 0.000 0.824 965 L CB 0.914 42.992 42.059 0.032 0.000 1.142 965 L HN 0.921 nan 8.230 nan 0.000 0.443 966 T N 3.519 118.110 114.554 0.062 0.000 3.128 966 T HA 0.311 4.649 4.350 -0.020 0.000 0.363 966 T C -1.052 173.685 174.700 0.062 0.000 1.610 966 T CA -0.666 61.473 62.100 0.065 0.000 1.126 966 T CB 0.968 69.862 68.868 0.044 0.000 1.416 966 T HN 0.792 nan 8.240 nan 0.000 0.480 967 N N 3.926 122.664 118.700 0.062 0.000 3.111 967 N HA 0.243 4.971 4.740 -0.020 0.000 0.200 967 N C -2.982 172.522 175.510 -0.010 0.000 1.464 967 N CA -0.995 52.075 53.050 0.033 0.000 0.758 967 N CB 1.495 40.034 38.487 0.086 0.000 1.548 967 N HN 0.358 nan 8.380 nan 0.000 0.595 968 P HA 0.124 nan 4.420 nan 0.000 0.271 968 P C -0.739 176.523 177.300 -0.062 0.000 1.216 968 P CA -0.077 63.014 63.100 -0.015 0.000 0.776 968 P CB 1.651 33.243 31.700 -0.179 0.000 0.881 969 V N 2.960 122.886 119.914 0.020 0.000 2.638 969 V HA 0.213 4.321 4.120 -0.020 0.000 0.306 969 V C 0.236 176.422 176.094 0.154 0.000 1.052 969 V CA -0.895 61.385 62.300 -0.034 0.000 0.885 969 V CB 1.800 33.491 31.823 -0.221 0.000 0.999 969 V HN 0.454 nan 8.190 nan 0.000 0.424 970 Q N 2.590 122.465 119.800 0.125 0.000 2.311 970 Q HA 0.303 4.631 4.340 -0.020 0.000 0.272 970 Q C 1.110 177.221 176.000 0.186 0.000 1.012 970 Q CA 0.055 55.959 55.803 0.169 0.000 0.891 970 Q CB 1.429 30.235 28.738 0.112 0.000 1.201 970 Q HN 0.698 nan 8.270 nan 0.000 0.391 971 L N 1.749 123.069 121.223 0.161 0.000 2.187 971 L HA -0.214 4.114 4.340 -0.020 0.000 0.213 971 L C 1.341 178.301 176.870 0.150 0.000 1.100 971 L CA 0.917 55.836 54.840 0.131 0.000 0.765 971 L CB -0.074 42.004 42.059 0.032 0.000 0.904 971 L HN 0.560 nan 8.230 nan 0.000 0.437 972 D N -0.053 120.418 120.400 0.118 0.000 2.350 972 D HA -0.114 4.514 4.640 -0.020 0.000 0.216 972 D C 0.727 177.095 176.300 0.113 0.000 0.968 972 D CA 0.971 55.029 54.000 0.098 0.000 0.894 972 D CB 0.143 40.986 40.800 0.071 0.000 0.909 972 D HN 0.443 nan 8.370 nan 0.000 0.520 973 D N -1.046 119.441 120.400 0.144 0.000 2.513 973 D HA -0.001 4.627 4.640 -0.020 0.000 0.222 973 D C 1.235 177.647 176.300 0.186 0.000 1.210 973 D CA -0.332 53.748 54.000 0.133 0.000 0.825 973 D CB -0.177 40.680 40.800 0.095 0.000 1.037 973 D HN 0.090 nan 8.370 nan 0.000 0.506 974 F N 1.962 121.973 119.950 0.101 0.000 2.234 974 F HA -0.118 4.396 4.527 -0.020 0.000 0.299 974 F C 1.826 177.732 175.800 0.178 0.000 1.087 974 F CA 1.241 59.337 58.000 0.160 0.000 1.340 974 F CB 0.345 39.409 39.000 0.107 0.000 1.031 974 F HN -0.164 nan 8.300 nan 0.000 0.500 975 D N -0.263 120.255 120.400 0.196 0.000 2.097 975 D HA -0.145 4.483 4.640 -0.020 0.000 0.195 975 D C 2.400 178.711 176.300 0.018 0.000 0.989 975 D CA 1.530 55.592 54.000 0.104 0.000 0.827 975 D CB -0.543 40.321 40.800 0.106 0.000 0.966 975 D HN 0.414 nan 8.370 nan 0.000 0.456 976 G N -0.426 108.395 108.800 0.035 0.000 2.402 976 G HA2 -0.293 3.655 3.960 -0.020 0.000 0.216 976 G HA3 -0.293 3.655 3.960 -0.020 0.000 0.216 976 G C 1.559 176.439 174.900 -0.033 0.000 1.162 976 G CA 0.627 45.733 45.100 0.009 0.000 0.777 976 G HN 0.273 nan 8.290 nan 0.000 0.539 977 Y N 2.414 122.613 120.300 -0.168 0.000 2.030 977 Y HA -0.266 4.271 4.550 -0.020 0.000 0.274 977 Y C 2.652 178.360 175.900 -0.320 0.000 1.153 977 Y CA 2.073 60.023 58.100 -0.250 0.000 1.115 977 Y CB -0.555 37.705 38.460 -0.334 0.000 0.969 977 Y HN 0.308 nan 8.280 nan 0.000 0.488 978 I N -1.288 118.927 120.570 -0.591 0.000 2.423 978 I HA -0.244 3.914 4.170 -0.020 0.000 0.254 978 I C 2.001 177.925 176.117 -0.323 0.000 1.151 978 I CA 1.772 62.771 61.300 -0.500 0.000 1.421 978 I CB -0.527 37.368 38.000 -0.174 0.000 1.079 978 I HN 0.154 nan 8.210 nan 0.000 0.431 979 K N 0.977 121.246 120.400 -0.218 0.000 2.103 979 K HA -0.180 4.128 4.320 -0.020 0.000 0.204 979 K C 1.685 178.175 176.600 -0.183 0.000 1.052 979 K CA 1.938 58.147 56.287 -0.130 0.000 0.945 979 K CB -0.274 32.184 32.500 -0.070 0.000 0.722 979 K HN 0.377 nan 8.250 nan 0.000 0.443 980 D N 0.062 120.314 120.400 -0.246 0.000 2.312 980 D HA -0.071 4.557 4.640 -0.020 0.000 0.211 980 D C 1.689 177.764 176.300 -0.374 0.000 0.964 980 D CA 0.670 54.531 54.000 -0.232 0.000 0.877 980 D CB 0.285 40.986 40.800 -0.166 0.000 0.924 980 D HN -0.026 nan 8.370 nan 0.000 0.515 981 M N -0.063 119.131 119.600 -0.676 0.000 2.334 981 M HA 0.178 4.646 4.480 -0.020 0.000 0.266 981 M C 2.088 177.934 176.300 -0.757 0.000 1.082 981 M CA 0.647 55.294 55.300 -1.088 0.000 1.141 981 M CB -0.720 30.541 32.600 -2.232 0.000 1.380 981 M HN 0.142 nan 8.290 nan 0.000 0.440 982 A N 0.169 122.787 122.820 -0.336 0.000 2.123 982 A HA 0.002 4.310 4.320 -0.020 0.000 0.214 982 A C 1.092 178.684 177.584 0.014 0.000 1.152 982 A CA 0.180 52.234 52.037 0.029 0.000 0.728 982 A CB -0.245 18.828 19.000 0.120 0.000 0.814 982 A HN 0.367 nan 8.150 nan 0.000 0.464 983 K N 1.246 121.621 120.400 -0.041 0.000 2.494 983 K HA 0.055 4.363 4.320 -0.020 0.000 0.273 983 K C -0.549 176.072 176.600 0.036 0.000 0.970 983 K CA 0.542 56.823 56.287 -0.010 0.000 0.963 983 K CB 0.068 32.549 32.500 -0.032 0.000 0.913 983 K HN 0.346 nan 8.250 nan 0.000 0.502 984 D N 0.844 121.254 120.400 0.016 0.000 2.699 984 D HA -0.182 4.446 4.640 -0.020 0.000 0.239 984 D C -0.525 175.822 176.300 0.079 0.000 1.136 984 D CA 1.239 55.248 54.000 0.014 0.000 0.668 984 D CB -1.376 39.393 40.800 -0.051 0.000 1.060 984 D HN 0.713 nan 8.370 nan 0.000 0.429 985 S N 0.400 116.140 115.700 0.067 0.000 3.697 985 S HA -0.240 4.218 4.470 -0.020 0.000 0.388 985 S C 0.320 174.996 174.600 0.127 0.000 0.941 985 S CA 1.021 59.270 58.200 0.082 0.000 1.247 985 S CB -0.767 62.474 63.200 0.068 0.000 0.904 985 S HN 0.429 nan 8.310 nan 0.000 0.518 986 D N -1.163 119.326 120.400 0.148 0.000 2.911 986 D HA -0.246 4.382 4.640 -0.020 0.000 0.227 986 D C 0.352 176.768 176.300 0.195 0.000 1.164 986 D CA 1.340 55.475 54.000 0.226 0.000 0.782 986 D CB -1.552 39.376 40.800 0.214 0.000 1.094 986 D HN 0.828 nan 8.370 nan 0.000 0.425 987 Y N 1.438 121.762 120.300 0.040 0.000 2.002 987 Y HA -0.367 4.171 4.550 -0.020 0.000 0.268 987 Y C 2.137 178.050 175.900 0.023 0.000 1.177 987 Y CA 2.484 60.598 58.100 0.024 0.000 1.111 987 Y CB -0.016 38.440 38.460 -0.006 0.000 0.952 987 Y HN -0.064 nan 8.280 nan 0.000 0.491 988 K N -0.389 119.918 120.400 -0.156 0.000 2.032 988 K HA -0.190 4.118 4.320 -0.020 0.000 0.209 988 K C 2.059 178.581 176.600 -0.129 0.000 1.048 988 K CA 1.649 57.784 56.287 -0.253 0.000 0.927 988 K CB -1.283 31.062 32.500 -0.257 0.000 0.712 988 K HN 0.319 nan 8.250 nan 0.000 0.441 989 F N 2.128 122.039 119.950 -0.066 0.000 2.043 989 F HA -0.269 4.245 4.527 -0.020 0.000 0.297 989 F C 2.811 178.648 175.800 0.062 0.000 1.118 989 F CA 1.925 59.934 58.000 0.015 0.000 1.202 989 F CB -1.351 37.619 39.000 -0.050 0.000 0.965 989 F HN 0.140 nan 8.300 nan 0.000 0.482 990 S N -0.306 115.517 115.700 0.205 0.000 2.419 990 S HA -0.178 4.280 4.470 -0.020 0.000 0.233 990 S C 2.003 176.637 174.600 0.057 0.000 1.016 990 S CA 1.054 59.330 58.200 0.127 0.000 0.974 990 S CB -0.933 62.309 63.200 0.069 0.000 0.786 990 S HN 0.247 nan 8.310 nan 0.000 0.492 991 L N 1.600 122.782 121.223 -0.069 0.000 2.005 991 L HA -0.023 4.305 4.340 -0.020 0.000 0.207 991 L C 2.889 179.749 176.870 -0.017 0.000 1.072 991 L CA 1.874 56.638 54.840 -0.126 0.000 0.744 991 L CB -0.867 41.021 42.059 -0.285 0.000 0.895 991 L HN 0.348 nan 8.230 nan 0.000 0.433 992 Q N -1.934 117.902 119.800 0.060 0.000 2.050 992 Q HA -0.243 4.085 4.340 -0.020 0.000 0.202 992 Q C 2.217 178.205 176.000 -0.020 0.000 0.980 992 Q CA 1.923 57.778 55.803 0.088 0.000 0.840 992 Q CB -0.333 28.568 28.738 0.272 0.000 0.898 992 Q HN 0.429 nan 8.270 nan 0.000 0.424 993 F N 1.741 121.590 119.950 -0.168 0.000 2.134 993 F HA -0.218 4.298 4.527 -0.019 0.000 0.299 993 F C 2.184 177.883 175.800 -0.168 0.000 1.097 993 F CA 1.630 59.441 58.000 -0.316 0.000 1.264 993 F CB 0.000 38.858 39.000 -0.238 0.000 1.001 993 F HN 0.004 nan 8.300 nan 0.000 0.479 994 E N 0.496 120.701 120.200 0.008 0.000 2.171 994 E HA -0.224 4.114 4.350 -0.020 0.000 0.197 994 E C 2.069 178.586 176.600 -0.138 0.000 0.997 994 E CA 1.773 58.144 56.400 -0.048 0.000 0.810 994 E CB -0.226 29.478 29.700 0.007 0.000 0.738 994 E HN 0.557 nan 8.360 nan 0.000 0.467 995 E N -0.697 119.423 120.200 -0.133 0.000 2.072 995 E HA -0.126 4.212 4.350 -0.020 0.000 0.190 995 E C 1.805 178.291 176.600 -0.190 0.000 0.982 995 E CA 0.460 56.787 56.400 -0.122 0.000 0.803 995 E CB -0.030 29.626 29.700 -0.074 0.000 0.755 995 E HN 0.198 nan 8.360 nan 0.000 0.453 996 L N 1.521 122.559 121.223 -0.308 0.000 2.129 996 L HA -0.211 4.117 4.340 -0.020 0.000 0.212 996 L C 1.954 178.595 176.870 -0.381 0.000 1.087 996 L CA 1.712 56.325 54.840 -0.378 0.000 0.757 996 L CB -0.840 40.847 42.059 -0.619 0.000 0.896 996 L HN 0.117 nan 8.230 nan 0.000 0.434 997 K N -0.596 119.543 120.400 -0.435 0.000 2.283 997 K HA -0.094 4.214 4.320 -0.020 0.000 0.202 997 K C 2.023 178.533 176.600 -0.150 0.000 1.048 997 K CA 0.706 56.811 56.287 -0.304 0.000 0.948 997 K CB -0.043 32.304 32.500 -0.255 0.000 0.742 997 K HN 0.319 nan 8.250 nan 0.000 0.458 998 L N 0.934 122.081 121.223 -0.126 0.000 2.270 998 L HA 0.066 4.394 4.340 -0.020 0.000 0.210 998 L C 0.997 177.836 176.870 -0.052 0.000 1.104 998 L CA 0.012 54.810 54.840 -0.070 0.000 0.804 998 L CB -0.220 41.803 42.059 -0.059 0.000 0.937 998 L HN 0.079 nan 8.230 nan 0.000 0.450 999 I N 1.247 121.779 120.570 -0.063 0.000 2.741 999 I HA -0.069 4.089 4.170 -0.020 0.000 0.288 999 I C 1.453 177.573 176.117 0.004 0.000 1.192 999 I CA 0.996 62.276 61.300 -0.033 0.000 1.426 999 I CB 0.116 38.097 38.000 -0.031 0.000 1.367 999 I HN 0.380 nan 8.210 nan 0.000 0.563 1000 G N 5.071 113.860 108.800 -0.018 0.000 2.168 1000 G HA2 -0.290 3.658 3.960 -0.020 0.000 0.263 1000 G HA3 -0.290 3.658 3.960 -0.020 0.000 0.263 1000 G C 0.788 175.681 174.900 -0.012 0.000 0.977 1000 G CA 0.212 45.284 45.100 -0.046 0.000 0.659 1000 G HN 0.630 nan 8.290 nan 0.000 0.533 1001 L N -0.669 120.562 121.223 0.013 0.000 2.353 1001 L HA 0.040 4.368 4.340 -0.020 0.000 0.220 1001 L C 1.180 178.070 176.870 0.033 0.000 1.133 1001 L CA 1.551 56.419 54.840 0.046 0.000 0.798 1001 L CB -0.033 42.040 42.059 0.024 0.000 0.922 1001 L HN 0.143 nan 8.230 nan 0.000 0.445 1002 D N -0.370 120.012 120.400 -0.031 0.000 2.891 1002 D HA 0.334 4.962 4.640 -0.020 0.000 0.312 1002 D C -0.198 176.027 176.300 -0.126 0.000 1.354 1002 D CA 0.050 54.021 54.000 -0.049 0.000 0.838 1002 D CB 0.456 41.232 40.800 -0.041 0.000 1.117 1002 D HN 0.057 nan 8.370 nan 0.000 0.473 1003 I N 1.341 121.794 120.570 -0.196 0.000 2.339 1003 I HA 0.321 4.479 4.170 -0.020 0.000 0.290 1003 I C -2.106 173.855 176.117 -0.259 0.000 0.994 1003 I CA -2.317 58.776 61.300 -0.346 0.000 1.191 1003 I CB 1.589 39.115 38.000 -0.791 0.000 1.343 1003 I HN -0.237 nan 8.210 nan 0.000 0.458 1004 P HA -0.036 nan 4.420 nan 0.000 0.265 1004 P C -0.511 176.546 177.300 -0.405 0.000 1.187 1004 P CA 0.423 63.060 63.100 -0.770 0.000 0.766 1004 P CB 0.201 31.174 31.700 -1.212 0.000 0.820 1005 H N 1.658 120.518 119.070 -0.351 0.000 2.823 1005 H HA 0.207 4.754 4.556 -0.015 0.000 0.222 1005 H C -0.171 175.204 175.328 0.078 0.000 1.414 1005 H CA -0.342 55.693 56.048 -0.022 0.000 1.289 1005 H CB -0.707 29.135 29.762 0.133 0.000 1.970 1005 H HN 0.163 nan 8.280 nan 0.000 0.517 1006 F N 1.927 121.931 119.950 0.090 0.000 2.234 1006 F HA 0.033 4.558 4.527 -0.003 0.000 0.299 1006 F C 2.659 178.500 175.800 0.069 0.000 1.087 1006 F CA 1.173 59.199 58.000 0.044 0.000 1.340 1006 F CB -0.660 38.351 39.000 0.020 0.000 1.031 1006 F HN 0.527 nan 8.300 nan 0.000 0.500 1007 A N -0.001 122.990 122.820 0.286 0.000 2.015 1007 A HA 0.071 4.379 4.320 -0.020 0.000 0.219 1007 A C 2.415 179.997 177.584 -0.004 0.000 1.163 1007 A CA 1.417 53.564 52.037 0.184 0.000 0.646 1007 A CB -1.066 18.109 19.000 0.292 0.000 0.806 1007 A HN 0.270 nan 8.150 nan 0.000 0.448 1008 A N 0.043 122.952 122.820 0.149 0.000 2.014 1008 A HA -0.094 4.214 4.320 -0.020 0.000 0.218 1008 A C 1.540 179.116 177.584 -0.013 0.000 1.163 1008 A CA 1.483 53.535 52.037 0.024 0.000 0.652 1008 A CB -0.309 18.849 19.000 0.264 0.000 0.808 1008 A HN 0.485 nan 8.150 nan 0.000 0.449 1009 D N -0.125 120.343 120.400 0.114 0.000 2.323 1009 D HA 0.058 4.686 4.640 -0.020 0.000 0.209 1009 D C 0.489 176.790 176.300 0.003 0.000 0.973 1009 D CA 0.091 54.147 54.000 0.093 0.000 0.874 1009 D CB -0.207 40.684 40.800 0.152 0.000 0.930 1009 D HN 0.373 nan 8.370 nan 0.000 0.521 1010 L N 1.932 123.127 121.223 -0.046 0.000 2.578 1010 L HA -0.052 4.276 4.340 -0.020 0.000 0.279 1010 L C -1.028 175.794 176.870 -0.080 0.000 1.227 1010 L CA -0.899 53.901 54.840 -0.067 0.000 0.900 1010 L CB 0.248 42.252 42.059 -0.091 0.000 1.144 1010 L HN -0.199 nan 8.230 nan 0.000 0.496 1011 P HA -0.254 nan 4.420 nan 0.000 0.217 1011 P C 1.361 178.633 177.300 -0.046 0.000 1.162 1011 P CA 1.732 64.809 63.100 -0.038 0.000 0.901 1011 P CB 0.057 31.742 31.700 -0.025 0.000 0.793 1012 M N -4.167 115.403 119.600 -0.050 0.000 2.563 1012 M HA 0.206 4.674 4.480 -0.020 0.000 0.231 1012 M C 0.764 177.024 176.300 -0.067 0.000 1.136 1012 M CA 1.231 56.506 55.300 -0.043 0.000 1.026 1012 M CB -0.177 32.410 32.600 -0.022 0.000 1.597 1012 M HN -0.234 nan 8.290 nan 0.000 0.495 1013 N N 1.306 119.923 118.700 -0.138 0.000 2.282 1013 N HA 0.160 4.888 4.740 -0.020 0.000 0.185 1013 N C 1.253 176.659 175.510 -0.174 0.000 1.099 1013 N CA 0.258 53.160 53.050 -0.248 0.000 0.878 1013 N CB 0.052 38.152 38.487 -0.645 0.000 0.993 1013 N HN 0.469 nan 8.380 nan 0.000 0.481 1014 R N 0.222 120.656 120.500 -0.109 0.000 2.159 1014 R HA -0.080 4.248 4.340 -0.020 0.000 0.237 1014 R C 1.797 178.082 176.300 -0.025 0.000 1.131 1014 R CA 1.439 57.506 56.100 -0.056 0.000 0.982 1014 R CB -0.445 29.834 30.300 -0.035 0.000 0.868 1014 R HN 0.369 nan 8.270 nan 0.000 0.453 1015 C N -0.667 118.622 119.300 -0.019 0.000 2.573 1015 C HA 0.254 4.702 4.460 -0.020 0.000 0.273 1015 C C 1.269 176.266 174.990 0.013 0.000 1.346 1015 C CA -0.509 58.505 59.018 -0.005 0.000 1.702 1015 C CB -0.547 27.192 27.740 -0.001 0.000 1.751 1015 C HN 0.253 nan 8.230 nan 0.000 0.583 1016 K N 0.410 120.833 120.400 0.038 0.000 2.380 1016 K HA 0.147 4.455 4.320 -0.020 0.000 0.198 1016 K C -0.322 176.346 176.600 0.113 0.000 1.070 1016 K CA 0.071 56.417 56.287 0.099 0.000 1.040 1016 K CB 0.145 32.777 32.500 0.220 0.000 0.903 1016 K HN 0.553 nan 8.250 nan 0.000 0.549 1017 N N 1.939 120.688 118.700 0.080 0.000 2.439 1017 N HA 0.127 4.855 4.740 -0.020 0.000 0.249 1017 N C 0.512 176.013 175.510 -0.016 0.000 1.003 1017 N CA -0.284 52.809 53.050 0.070 0.000 0.942 1017 N CB 1.348 39.880 38.487 0.076 0.000 1.115 1017 N HN 0.059 nan 8.380 nan 0.000 0.505 1018 R N 2.674 123.134 120.500 -0.066 0.000 2.097 1018 R HA -0.148 4.180 4.340 -0.020 0.000 0.236 1018 R C -0.340 175.736 176.300 -0.373 0.000 1.135 1018 R CA 1.624 57.571 56.100 -0.255 0.000 0.934 1018 R CB 0.018 30.127 30.300 -0.319 0.000 0.846 1018 R HN 0.532 nan 8.270 nan 0.000 0.431 1019 Y N -0.316 119.980 120.300 -0.007 0.000 2.331 1019 Y HA 0.141 4.679 4.550 -0.021 0.000 0.338 1019 Y C 1.229 177.123 175.900 -0.009 0.000 0.976 1019 Y CA -0.321 57.774 58.100 -0.008 0.000 1.137 1019 Y CB 1.909 40.359 38.460 -0.016 0.000 1.172 1019 Y HN 0.003 nan 8.280 nan 0.000 0.478 1020 T N 1.268 115.894 114.554 0.119 0.000 2.848 1020 T HA -0.265 4.073 4.350 -0.020 0.000 0.269 1020 T C 1.039 175.780 174.700 0.068 0.000 1.081 1020 T CA 2.419 64.563 62.100 0.074 0.000 1.125 1020 T CB -0.449 68.455 68.868 0.060 0.000 0.848 1020 T HN 0.883 nan 8.240 nan 0.000 0.503 1021 N N -0.508 118.242 118.700 0.083 0.000 2.214 1021 N HA 0.185 4.913 4.740 -0.020 0.000 0.214 1021 N C -0.359 175.143 175.510 -0.014 0.000 1.132 1021 N CA -0.387 52.682 53.050 0.032 0.000 0.856 1021 N CB 0.390 38.897 38.487 0.033 0.000 1.020 1021 N HN 0.239 nan 8.380 nan 0.000 0.509 1022 I N 2.166 122.741 120.570 0.009 0.000 2.502 1022 I HA 0.353 4.511 4.170 -0.020 0.000 0.276 1022 I C -0.784 175.291 176.117 -0.070 0.000 1.057 1022 I CA -0.663 60.611 61.300 -0.044 0.000 1.163 1022 I CB 0.515 38.515 38.000 -0.000 0.000 1.288 1022 I HN 0.157 nan 8.210 nan 0.000 0.479 1023 L N 7.281 128.392 121.223 -0.187 0.000 2.334 1023 L HA 0.642 4.970 4.340 -0.020 0.000 0.273 1023 L C -2.309 174.406 176.870 -0.259 0.000 1.013 1023 L CA -1.736 52.986 54.840 -0.198 0.000 0.816 1023 L CB 2.185 44.033 42.059 -0.351 0.000 1.278 1023 L HN 0.254 nan 8.230 nan 0.000 0.431 1024 P HA 0.153 nan 4.420 nan 0.000 0.286 1024 P C -1.240 176.042 177.300 -0.030 0.000 1.269 1024 P CA -0.431 62.558 63.100 -0.186 0.000 0.787 1024 P CB 0.609 32.219 31.700 -0.150 0.000 0.920 1025 Y N 1.174 121.439 120.300 -0.057 0.000 2.550 1025 Y HA -0.044 4.494 4.550 -0.020 0.000 0.343 1025 Y C 2.016 177.882 175.900 -0.057 0.000 1.245 1025 Y CA 0.223 58.305 58.100 -0.030 0.000 1.462 1025 Y CB -0.375 38.018 38.460 -0.112 0.000 1.340 1025 Y HN 0.405 nan 8.280 nan 0.000 0.604 1026 D N 1.218 121.725 120.400 0.179 0.000 2.117 1026 D HA -0.178 4.450 4.640 -0.020 0.000 0.198 1026 D C 2.056 178.439 176.300 0.139 0.000 0.982 1026 D CA 1.573 55.651 54.000 0.130 0.000 0.828 1026 D CB -0.249 40.598 40.800 0.079 0.000 0.967 1026 D HN 0.641 nan 8.370 nan 0.000 0.464 1027 F N 1.881 121.880 119.950 0.080 0.000 2.146 1027 F HA -0.068 4.446 4.527 -0.022 0.000 0.298 1027 F C 2.156 178.049 175.800 0.154 0.000 1.096 1027 F CA 1.342 59.392 58.000 0.083 0.000 1.275 1027 F CB -0.892 38.119 39.000 0.019 0.000 1.008 1027 F HN -0.140 nan 8.300 nan 0.000 0.480 1028 S N 1.309 116.448 115.700 -0.936 0.000 2.575 1028 S HA 0.111 4.569 4.470 -0.020 0.000 0.215 1028 S C 0.824 175.372 174.600 -0.086 0.000 0.966 1028 S CA -0.670 57.253 58.200 -0.461 0.000 0.911 1028 S CB -0.846 61.937 63.200 -0.694 0.000 0.780 1028 S HN 0.609 nan 8.310 nan 0.000 0.514 1029 R N 0.822 121.265 120.500 -0.096 0.000 2.543 1029 R HA 0.384 4.712 4.340 -0.020 0.000 0.277 1029 R C -0.917 175.318 176.300 -0.109 0.000 1.074 1029 R CA -0.560 55.467 56.100 -0.122 0.000 1.076 1029 R CB 0.369 30.613 30.300 -0.093 0.000 0.993 1029 R HN 0.034 nan 8.270 nan 0.000 0.459 1030 V N 5.718 125.435 119.914 -0.329 0.000 2.370 1030 V HA 0.113 4.221 4.120 -0.020 0.000 0.257 1030 V C 0.602 176.579 176.094 -0.194 0.000 1.064 1030 V CA -0.438 61.633 62.300 -0.381 0.000 0.975 1030 V CB -0.158 31.297 31.823 -0.614 0.000 1.067 1030 V HN 0.761 nan 8.190 nan 0.000 0.485 1031 R N 5.576 126.048 120.500 -0.046 0.000 2.357 1031 R HA 0.571 4.899 4.340 -0.020 0.000 0.296 1031 R C -0.713 175.573 176.300 -0.024 0.000 1.052 1031 R CA -0.638 55.445 56.100 -0.028 0.000 0.988 1031 R CB 1.005 31.329 30.300 0.040 0.000 1.025 1031 R HN 0.459 nan 8.270 nan 0.000 0.469 1032 L N 1.628 122.830 121.223 -0.036 0.000 2.418 1032 L HA 0.293 4.621 4.340 -0.020 0.000 0.265 1032 L C 0.084 176.952 176.870 -0.003 0.000 1.143 1032 L CA -1.046 53.775 54.840 -0.033 0.000 0.809 1032 L CB 1.185 43.219 42.059 -0.041 0.000 1.124 1032 L HN 0.297 nan 8.230 nan 0.000 0.456 1033 V N 1.685 121.594 119.914 -0.008 0.000 2.318 1033 V HA 0.311 4.419 4.120 -0.020 0.000 0.271 1033 V C -0.035 176.058 176.094 -0.002 0.000 1.030 1033 V CA -0.093 62.211 62.300 0.005 0.000 0.844 1033 V CB 0.874 32.703 31.823 0.010 0.000 1.015 1033 V HN 0.788 nan 8.190 nan 0.000 0.460 1034 S N 4.199 119.906 115.700 0.012 0.000 2.600 1034 S HA 0.511 4.969 4.470 -0.020 0.000 0.300 1034 S C 0.200 174.814 174.600 0.025 0.000 1.087 1034 S CA -0.707 57.501 58.200 0.013 0.000 0.965 1034 S CB 1.703 64.914 63.200 0.018 0.000 1.089 1034 S HN 0.661 nan 8.310 nan 0.000 0.496 1035 M N 3.857 123.474 119.600 0.028 0.000 3.520 1035 M HA 0.218 4.686 4.480 -0.020 0.000 0.188 1035 M C 0.827 177.146 176.300 0.031 0.000 1.400 1035 M CA 0.638 55.958 55.300 0.033 0.000 1.553 1035 M CB -2.480 30.142 32.600 0.037 0.000 1.333 1035 M HN 0.964 nan 8.290 nan 0.000 0.452 1036 N N -1.485 117.233 118.700 0.031 0.000 5.833 1036 N HA 0.231 4.959 4.740 -0.020 0.000 0.357 1036 N C 0.302 175.831 175.510 0.031 0.000 0.922 1036 N CA 1.202 54.271 53.050 0.032 0.000 1.099 1036 N CB -1.590 36.915 38.487 0.030 0.000 0.862 1036 N HN 1.796 nan 8.380 nan 0.000 0.427 1037 E N -2.418 117.799 120.200 0.029 0.000 9.197 1037 E HA 0.363 4.701 4.350 -0.020 0.000 0.478 1037 E C 0.523 177.141 176.600 0.029 0.000 1.409 1037 E CA 2.110 58.527 56.400 0.027 0.000 2.454 1037 E CB -2.228 27.488 29.700 0.026 0.000 1.029 1037 E HN 2.672 nan 8.360 nan 0.000 0.289 1038 E N -2.081 118.134 120.200 0.026 0.000 3.454 1038 E HA 0.109 4.447 4.350 -0.020 0.000 0.262 1038 E C 0.511 177.127 176.600 0.026 0.000 1.466 1038 E CA 2.118 58.533 56.400 0.025 0.000 2.118 1038 E CB -1.239 28.478 29.700 0.029 0.000 2.041 1038 E HN 2.236 nan 8.360 nan 0.000 0.490 1039 E N -0.538 119.679 120.200 0.028 0.000 2.343 1039 E HA 0.476 4.814 4.350 -0.020 0.000 0.286 1039 E C 0.264 176.883 176.600 0.033 0.000 0.915 1039 E CA 0.605 57.022 56.400 0.027 0.000 0.784 1039 E CB 1.097 30.805 29.700 0.013 0.000 1.251 1039 E HN 1.525 nan 8.360 nan 0.000 0.407 1040 G N 1.109 109.941 108.800 0.054 0.000 2.153 1040 G HA2 -0.218 3.730 3.960 -0.020 0.000 0.252 1040 G HA3 -0.218 3.730 3.960 -0.020 0.000 0.252 1040 G C 1.389 176.364 174.900 0.125 0.000 0.994 1040 G CA 1.452 46.606 45.100 0.089 0.000 0.698 1040 G HN 1.977 nan 8.290 nan 0.000 0.521 1041 S N -0.044 115.708 115.700 0.087 0.000 2.507 1041 S HA 0.030 4.488 4.470 -0.020 0.000 0.235 1041 S C 1.415 176.060 174.600 0.075 0.000 0.988 1041 S CA 1.405 59.648 58.200 0.073 0.000 0.944 1041 S CB 0.011 63.241 63.200 0.051 0.000 0.762 1041 S HN 0.789 nan 8.310 nan 0.000 0.526 1042 D N -0.845 119.613 120.400 0.096 0.000 2.424 1042 D HA 0.107 4.735 4.640 -0.020 0.000 0.220 1042 D C -0.313 176.034 176.300 0.078 0.000 1.150 1042 D CA -0.703 53.338 54.000 0.069 0.000 0.831 1042 D CB -0.704 40.136 40.800 0.067 0.000 0.981 1042 D HN 0.477 nan 8.370 nan 0.000 0.500 1043 Y N 0.939 121.240 120.300 0.001 0.000 2.320 1043 Y HA 0.543 5.082 4.550 -0.018 0.000 0.334 1043 Y C -0.723 175.162 175.900 -0.025 0.000 1.055 1043 Y CA -0.965 57.132 58.100 -0.005 0.000 1.143 1043 Y CB 0.872 39.337 38.460 0.009 0.000 1.193 1043 Y HN 0.036 nan 8.280 nan 0.000 0.477 1044 I N 6.144 126.202 120.570 -0.853 0.000 2.685 1044 I HA 0.184 4.342 4.170 -0.020 0.000 0.289 1044 I C -1.306 174.350 176.117 -0.767 0.000 1.292 1044 I CA -0.625 60.333 61.300 -0.571 0.000 1.050 1044 I CB 1.304 39.123 38.000 -0.302 0.000 1.301 1044 I HN 0.643 nan 8.210 nan 0.000 0.425 1045 N N 6.585 124.996 118.700 -0.481 0.000 2.670 1045 N HA 0.302 5.030 4.740 -0.020 0.000 0.296 1045 N C -0.938 174.423 175.510 -0.249 0.000 1.216 1045 N CA 0.509 53.383 53.050 -0.293 0.000 1.123 1045 N CB 0.010 38.457 38.487 -0.066 0.000 1.459 1045 N HN 0.632 nan 8.380 nan 0.000 0.509 1046 A N 2.583 125.216 122.820 -0.312 0.000 2.572 1046 A HA 0.652 4.960 4.320 -0.020 0.000 0.295 1046 A C -1.104 176.299 177.584 -0.301 0.000 1.072 1046 A CA -0.870 51.004 52.037 -0.272 0.000 0.691 1046 A CB 1.233 20.057 19.000 -0.293 0.000 1.291 1046 A HN 0.572 nan 8.150 nan 0.000 0.404 1047 N N -0.249 118.295 118.700 -0.260 0.000 2.260 1047 N HA 0.537 5.265 4.740 -0.020 0.000 0.293 1047 N C -1.687 173.732 175.510 -0.153 0.000 1.058 1047 N CA -0.423 52.491 53.050 -0.226 0.000 0.824 1047 N CB 1.245 39.629 38.487 -0.170 0.000 1.551 1047 N HN 0.561 nan 8.380 nan 0.000 0.475 1048 Y N 1.366 121.667 120.300 0.002 0.000 2.425 1048 Y HA 0.250 4.788 4.550 -0.021 0.000 0.331 1048 Y C 0.271 176.225 175.900 0.090 0.000 1.157 1048 Y CA 0.009 58.143 58.100 0.057 0.000 1.372 1048 Y CB 0.464 38.965 38.460 0.068 0.000 1.253 1048 Y HN 0.239 nan 8.280 nan 0.000 0.536 1049 I N 5.152 125.875 120.570 0.256 0.000 2.465 1049 I HA 0.336 4.494 4.170 -0.020 0.000 0.291 1049 I C -2.508 173.729 176.117 0.201 0.000 1.014 1049 I CA -3.232 58.151 61.300 0.140 0.000 1.093 1049 I CB 1.608 39.694 38.000 0.144 0.000 1.267 1049 I HN 0.325 nan 8.210 nan 0.000 0.431 1050 P HA 0.179 nan 4.420 nan 0.000 0.269 1050 P C 0.115 177.769 177.300 0.589 0.000 1.217 1050 P CA 0.136 63.321 63.100 0.141 0.000 0.783 1050 P CB 0.704 32.413 31.700 0.015 0.000 0.898 1051 G N -0.161 108.754 108.800 0.191 0.000 2.685 1051 G HA2 0.241 4.189 3.960 -0.020 0.000 0.298 1051 G HA3 0.241 4.189 3.960 -0.020 0.000 0.298 1051 G C -0.506 173.919 174.900 -0.792 0.000 1.277 1051 G CA -0.362 44.725 45.100 -0.022 0.000 0.986 1051 G HN 0.443 nan 8.290 nan 0.000 0.487 1052 Y N -0.121 119.502 120.300 -1.128 0.000 2.373 1052 Y HA -0.037 4.501 4.550 -0.020 0.000 0.293 1052 Y C 2.105 177.720 175.900 -0.473 0.000 1.129 1052 Y CA 2.114 59.651 58.100 -0.938 0.000 1.226 1052 Y CB 0.167 38.236 38.460 -0.653 0.000 1.000 1052 Y HN 0.530 nan 8.280 nan 0.000 0.549 1053 N N -0.859 117.706 118.700 -0.224 0.000 2.368 1053 N HA 0.111 4.839 4.740 -0.020 0.000 0.178 1053 N C -0.495 174.905 175.510 -0.183 0.000 1.076 1053 N CA 0.487 53.437 53.050 -0.166 0.000 0.889 1053 N CB 0.519 38.966 38.487 -0.066 0.000 1.040 1053 N HN 0.215 nan 8.380 nan 0.000 0.463 1054 S N -0.926 114.660 115.700 -0.191 0.000 2.627 1054 S HA 0.362 4.820 4.470 -0.020 0.000 0.268 1054 S C -3.172 171.363 174.600 -0.107 0.000 1.130 1054 S CA -1.280 56.838 58.200 -0.137 0.000 0.819 1054 S CB 1.536 64.672 63.200 -0.108 0.000 1.100 1054 S HN -0.218 nan 8.310 nan 0.000 0.465 1055 P HA 0.205 nan 4.420 nan 0.000 0.272 1055 P C -0.550 176.728 177.300 -0.036 0.000 1.240 1055 P CA 0.284 63.362 63.100 -0.037 0.000 0.791 1055 P CB -0.049 31.640 31.700 -0.018 0.000 0.978 1056 Q N -1.598 118.206 119.800 0.006 0.000 2.437 1056 Q HA -0.276 4.052 4.340 -0.020 0.000 0.274 1056 Q C 0.970 177.018 176.000 0.079 0.000 1.165 1056 Q CA 1.005 56.848 55.803 0.067 0.000 0.925 1056 Q CB -1.902 26.722 28.738 -0.191 0.000 1.327 1056 Q HN 0.631 nan 8.270 nan 0.000 0.505 1057 E N -0.440 119.769 120.200 0.015 0.000 2.150 1057 E HA -0.110 4.228 4.350 -0.020 0.000 0.193 1057 E C -0.061 176.380 176.600 -0.264 0.000 0.985 1057 E CA 0.986 57.274 56.400 -0.186 0.000 0.814 1057 E CB 0.311 29.794 29.700 -0.362 0.000 0.752 1057 E HN 0.455 nan 8.360 nan 0.000 0.466 1058 Y N -1.104 119.286 120.300 0.150 0.000 2.659 1058 Y HA 0.549 5.086 4.550 -0.020 0.000 0.333 1058 Y C -0.216 175.754 175.900 0.116 0.000 1.064 1058 Y CA -1.075 57.110 58.100 0.142 0.000 1.141 1058 Y CB 1.400 39.962 38.460 0.170 0.000 1.316 1058 Y HN -0.217 nan 8.280 nan 0.000 0.509 1059 I N 1.359 122.078 120.570 0.249 0.000 2.529 1059 I HA 0.470 4.628 4.170 -0.020 0.000 0.284 1059 I C -1.120 175.021 176.117 0.041 0.000 1.088 1059 I CA -0.823 60.505 61.300 0.046 0.000 1.062 1059 I CB 1.648 39.603 38.000 -0.076 0.000 1.218 1059 I HN 0.688 nan 8.210 nan 0.000 0.442 1060 A N 5.090 127.908 122.820 -0.002 0.000 2.260 1060 A HA 0.805 5.113 4.320 -0.020 0.000 0.312 1060 A C -0.071 177.481 177.584 -0.053 0.000 1.321 1060 A CA -0.190 51.840 52.037 -0.012 0.000 0.928 1060 A CB 0.281 19.263 19.000 -0.030 0.000 1.158 1060 A HN 0.636 nan 8.150 nan 0.000 0.542 1061 T N 1.522 116.068 114.554 -0.012 0.000 2.930 1061 T HA 0.573 4.911 4.350 -0.020 0.000 0.290 1061 T C 0.072 174.771 174.700 -0.002 0.000 1.052 1061 T CA -0.814 61.260 62.100 -0.044 0.000 1.017 1061 T CB 1.318 70.157 68.868 -0.049 0.000 1.137 1061 T HN 0.791 nan 8.240 nan 0.000 0.511 1062 Q N 0.335 120.112 119.800 -0.038 0.000 2.316 1062 Q HA 0.594 4.922 4.340 -0.020 0.000 0.215 1062 Q C 0.432 176.388 176.000 -0.074 0.000 1.020 1062 Q CA -1.140 54.667 55.803 0.006 0.000 0.970 1062 Q CB 0.099 28.848 28.738 0.019 0.000 1.187 1062 Q HN 0.819 nan 8.270 nan 0.000 0.546 1063 G N 1.126 109.925 108.800 -0.001 0.000 2.378 1063 G HA2 0.348 4.296 3.960 -0.020 0.000 0.255 1063 G HA3 0.348 4.296 3.960 -0.020 0.000 0.255 1063 G C -2.413 172.340 174.900 -0.244 0.000 1.270 1063 G CA -1.062 43.975 45.100 -0.105 0.000 0.876 1063 G HN 0.411 nan 8.290 nan 0.000 0.521 1064 P HA 0.112 nan 4.420 nan 0.000 0.267 1064 P C -0.091 177.115 177.300 -0.157 0.000 1.200 1064 P CA 0.024 62.884 63.100 -0.401 0.000 0.772 1064 P CB 0.731 31.954 31.700 -0.795 0.000 0.855 1065 L N 4.785 125.949 121.223 -0.099 0.000 2.334 1065 L HA 0.375 4.703 4.340 -0.020 0.000 0.270 1065 L C -1.398 175.475 176.870 0.006 0.000 1.018 1065 L CA -2.177 52.639 54.840 -0.041 0.000 0.811 1065 L CB 1.435 43.467 42.059 -0.045 0.000 1.271 1065 L HN 0.253 nan 8.230 nan 0.000 0.443 1066 P HA -0.173 nan 4.420 nan 0.000 0.218 1066 P C 0.412 177.751 177.300 0.064 0.000 1.146 1066 P CA 1.179 64.316 63.100 0.063 0.000 0.813 1066 P CB 0.285 32.014 31.700 0.049 0.000 0.778 1067 E N -2.226 117.997 120.200 0.038 0.000 2.474 1067 E HA -0.000 4.338 4.350 -0.020 0.000 0.194 1067 E C 1.277 177.904 176.600 0.044 0.000 1.041 1067 E CA 0.897 57.321 56.400 0.041 0.000 0.874 1067 E CB -0.616 29.099 29.700 0.026 0.000 0.914 1067 E HN 0.312 nan 8.360 nan 0.000 0.498 1068 T N -3.044 111.528 114.554 0.029 0.000 3.170 1068 T HA 0.215 4.553 4.350 -0.020 0.000 0.288 1068 T C 1.462 176.171 174.700 0.016 0.000 0.992 1068 T CA -0.506 61.607 62.100 0.021 0.000 0.909 1068 T CB 0.240 69.104 68.868 -0.007 0.000 1.133 1068 T HN -0.027 nan 8.240 nan 0.000 0.530 1069 R N 1.894 122.423 120.500 0.048 0.000 2.094 1069 R HA -0.124 4.204 4.340 -0.020 0.000 0.239 1069 R C 1.640 178.044 176.300 0.174 0.000 1.137 1069 R CA 2.107 58.253 56.100 0.076 0.000 0.943 1069 R CB -0.349 30.066 30.300 0.191 0.000 0.850 1069 R HN 0.324 nan 8.270 nan 0.000 0.433 1070 N N 0.842 119.683 118.700 0.236 0.000 2.244 1070 N HA -0.129 4.599 4.740 -0.020 0.000 0.183 1070 N C 1.120 176.734 175.510 0.173 0.000 1.016 1070 N CA 1.269 54.489 53.050 0.284 0.000 0.866 1070 N CB -0.332 38.291 38.487 0.226 0.000 0.980 1070 N HN 0.320 nan 8.380 nan 0.000 0.430 1071 D N 0.311 120.765 120.400 0.091 0.000 2.144 1071 D HA -0.103 4.525 4.640 -0.020 0.000 0.200 1071 D C 1.667 177.942 176.300 -0.042 0.000 0.978 1071 D CA 0.345 54.356 54.000 0.019 0.000 0.833 1071 D CB -0.401 40.402 40.800 0.004 0.000 0.961 1071 D HN 0.197 nan 8.370 nan 0.000 0.470 1072 F N -0.003 119.807 119.950 -0.233 0.000 2.069 1072 F HA -0.184 4.331 4.527 -0.021 0.000 0.298 1072 F C 1.893 177.447 175.800 -0.410 0.000 1.113 1072 F CA 1.541 59.276 58.000 -0.441 0.000 1.214 1072 F CB -0.500 38.048 39.000 -0.754 0.000 0.978 1072 F HN -0.039 nan 8.300 nan 0.000 0.474 1073 W N 0.959 122.219 121.300 -0.067 0.000 2.425 1073 W HA -0.091 4.557 4.660 -0.020 0.000 0.277 1073 W C 2.564 178.985 176.519 -0.163 0.000 1.231 1073 W CA 1.182 58.451 57.345 -0.127 0.000 1.248 1073 W CB -0.403 29.046 29.460 -0.018 0.000 1.117 1073 W HN -0.020 nan 8.180 nan 0.000 0.568 1074 K N 0.798 121.223 120.400 0.040 0.000 2.097 1074 K HA -0.207 4.101 4.320 -0.020 0.000 0.205 1074 K C 2.065 178.597 176.600 -0.114 0.000 1.050 1074 K CA 1.594 57.856 56.287 -0.042 0.000 0.938 1074 K CB -0.384 32.084 32.500 -0.052 0.000 0.718 1074 K HN 0.177 nan 8.250 nan 0.000 0.442 1075 M N 0.520 119.992 119.600 -0.213 0.000 2.254 1075 M HA -0.109 4.359 4.480 -0.020 0.000 0.265 1075 M C 1.583 177.717 176.300 -0.276 0.000 1.066 1075 M CA 1.154 56.295 55.300 -0.264 0.000 1.123 1075 M CB 0.201 32.579 32.600 -0.371 0.000 1.388 1075 M HN -0.000 nan 8.290 nan 0.000 0.425 1076 V N 0.882 120.579 119.914 -0.363 0.000 2.407 1076 V HA -0.250 3.858 4.120 -0.020 0.000 0.248 1076 V C 2.293 178.354 176.094 -0.056 0.000 1.055 1076 V CA 1.500 63.650 62.300 -0.250 0.000 1.049 1076 V CB -0.657 31.037 31.823 -0.215 0.000 0.662 1076 V HN 0.526 nan 8.190 nan 0.000 0.455 1077 L N -0.306 120.909 121.223 -0.013 0.000 2.034 1077 L HA -0.092 4.236 4.340 -0.020 0.000 0.203 1077 L C 2.507 179.384 176.870 0.011 0.000 1.074 1077 L CA 1.766 56.626 54.840 0.033 0.000 0.748 1077 L CB -0.681 41.408 42.059 0.050 0.000 0.905 1077 L HN 0.277 nan 8.230 nan 0.000 0.439 1078 Q N -0.875 118.912 119.800 -0.021 0.000 2.297 1078 Q HA -0.217 4.111 4.340 -0.020 0.000 0.208 1078 Q C 1.674 177.679 176.000 0.008 0.000 0.981 1078 Q CA 1.214 57.012 55.803 -0.010 0.000 0.876 1078 Q CB -0.096 28.624 28.738 -0.030 0.000 0.921 1078 Q HN 0.589 nan 8.270 nan 0.000 0.446 1079 Q N -0.081 119.717 119.800 -0.004 0.000 2.384 1079 Q HA 0.076 4.404 4.340 -0.020 0.000 0.207 1079 Q C -0.096 175.922 176.000 0.029 0.000 0.904 1079 Q CA 0.186 56.003 55.803 0.024 0.000 0.933 1079 Q CB 0.701 29.444 28.738 0.009 0.000 1.077 1079 Q HN 0.281 nan 8.270 nan 0.000 0.522 1080 K N 0.690 121.106 120.400 0.026 0.000 3.117 1080 K HA -0.083 4.225 4.320 -0.020 0.000 0.269 1080 K C -0.790 175.835 176.600 0.041 0.000 1.098 1080 K CA 0.320 56.631 56.287 0.040 0.000 0.785 1080 K CB -2.047 30.477 32.500 0.039 0.000 1.242 1080 K HN 0.012 nan 8.250 nan 0.000 0.491 1081 S N 1.440 117.158 115.700 0.030 0.000 2.422 1081 S HA 0.118 4.576 4.470 -0.020 0.000 0.283 1081 S C 0.884 175.530 174.600 0.077 0.000 1.163 1081 S CA -0.421 57.802 58.200 0.037 0.000 1.054 1081 S CB 1.161 64.357 63.200 -0.006 0.000 0.967 1081 S HN 0.235 nan 8.310 nan 0.000 0.499 1082 Q N 2.134 121.988 119.800 0.090 0.000 2.246 1082 Q HA 0.349 4.677 4.340 -0.020 0.000 0.202 1082 Q C -0.392 175.698 176.000 0.150 0.000 0.883 1082 Q CA 0.421 56.296 55.803 0.120 0.000 0.952 1082 Q CB 0.195 28.994 28.738 0.101 0.000 1.078 1082 Q HN 0.627 nan 8.270 nan 0.000 0.493 1083 I N 0.859 121.521 120.570 0.154 0.000 2.607 1083 I HA 0.408 4.566 4.170 -0.020 0.000 0.290 1083 I C -1.018 175.217 176.117 0.196 0.000 1.129 1083 I CA -0.722 60.703 61.300 0.208 0.000 1.042 1083 I CB 2.179 40.309 38.000 0.217 0.000 1.242 1083 I HN -0.052 nan 8.210 nan 0.000 0.421 1084 I N 6.352 127.052 120.570 0.218 0.000 2.498 1084 I HA 0.450 4.608 4.170 -0.020 0.000 0.290 1084 I C -0.885 175.271 176.117 0.065 0.000 1.032 1084 I CA -0.940 60.470 61.300 0.184 0.000 1.073 1084 I CB 2.410 40.613 38.000 0.337 0.000 1.251 1084 I HN 0.119 nan 8.210 nan 0.000 0.426 1085 V N 6.725 126.633 119.914 -0.010 0.000 2.378 1085 V HA 0.387 4.495 4.120 -0.020 0.000 0.288 1085 V C -0.169 175.744 176.094 -0.302 0.000 1.016 1085 V CA -0.466 61.750 62.300 -0.139 0.000 0.840 1085 V CB 1.701 33.289 31.823 -0.393 0.000 0.994 1085 V HN 0.706 nan 8.190 nan 0.000 0.431 1086 M N 6.019 125.406 119.600 -0.354 0.000 2.066 1086 M HA 0.489 4.957 4.480 -0.020 0.000 0.340 1086 M C -0.452 175.666 176.300 -0.303 0.000 1.053 1086 M CA -0.394 54.585 55.300 -0.535 0.000 0.983 1086 M CB 0.778 33.161 32.600 -0.361 0.000 1.520 1086 M HN 0.587 nan 8.290 nan 0.000 0.428 1087 L N 4.170 125.181 121.223 -0.353 0.000 2.851 1087 L HA 0.330 4.658 4.340 -0.020 0.000 0.237 1087 L C 0.221 176.972 176.870 -0.200 0.000 1.257 1087 L CA -0.063 54.647 54.840 -0.216 0.000 1.061 1087 L CB -0.081 41.771 42.059 -0.345 0.000 1.372 1087 L HN 0.719 nan 8.230 nan 0.000 0.493 1088 T N -1.160 113.325 114.554 -0.114 0.000 2.840 1088 T HA 0.326 4.664 4.350 -0.020 0.000 0.317 1088 T C -1.194 173.541 174.700 0.058 0.000 1.401 1088 T CA -0.518 61.561 62.100 -0.036 0.000 1.028 1088 T CB 1.601 70.434 68.868 -0.057 0.000 1.317 1088 T HN 0.121 nan 8.240 nan 0.000 0.495 1089 Q N 0.833 120.687 119.800 0.091 0.000 2.212 1089 Q HA 0.337 4.665 4.340 -0.020 0.000 0.238 1089 Q C 1.091 177.183 176.000 0.154 0.000 0.955 1089 Q CA -0.856 55.030 55.803 0.137 0.000 0.906 1089 Q CB 0.970 29.778 28.738 0.118 0.000 1.215 1089 Q HN 0.814 nan 8.270 nan 0.000 0.478 1090 C N 0.616 120.031 119.300 0.192 0.000 2.413 1090 C HA -0.126 4.322 4.460 -0.020 0.000 0.276 1090 C C 0.633 175.695 174.990 0.120 0.000 1.248 1090 C CA 0.698 59.818 59.018 0.169 0.000 1.742 1090 C CB -0.847 26.995 27.740 0.169 0.000 2.017 1090 C HN 0.736 nan 8.230 nan 0.000 0.481 1091 N N -0.363 118.401 118.700 0.106 0.000 2.225 1091 N HA 0.456 5.184 4.740 -0.020 0.000 0.298 1091 N C -1.449 174.105 175.510 0.075 0.000 1.076 1091 N CA -0.341 52.757 53.050 0.080 0.000 0.792 1091 N CB 1.493 40.019 38.487 0.066 0.000 1.498 1091 N HN 0.386 nan 8.380 nan 0.000 0.474 1092 E N 1.083 121.321 120.200 0.065 0.000 2.278 1092 E HA 0.333 4.671 4.350 -0.020 0.000 0.272 1092 E C -0.693 175.936 176.600 0.049 0.000 0.890 1092 E CA -0.740 55.695 56.400 0.059 0.000 0.770 1092 E CB 1.810 31.547 29.700 0.061 0.000 1.212 1092 E HN 0.643 nan 8.360 nan 0.000 0.415 1093 K N 3.016 123.442 120.400 0.042 0.000 3.077 1093 K HA -0.275 4.033 4.320 -0.020 0.000 0.264 1093 K C 0.394 177.013 176.600 0.032 0.000 1.008 1093 K CA 1.427 57.734 56.287 0.034 0.000 0.740 1093 K CB -1.988 30.532 32.500 0.033 0.000 1.273 1093 K HN 0.672 nan 8.250 nan 0.000 0.477 1094 R N -2.203 118.317 120.500 0.033 0.000 3.651 1094 R HA -0.136 4.192 4.340 -0.020 0.000 0.292 1094 R C -0.596 175.723 176.300 0.032 0.000 1.161 1094 R CA 1.373 57.490 56.100 0.029 0.000 0.787 1094 R CB -1.623 28.690 30.300 0.022 0.000 1.249 1094 R HN 0.819 nan 8.270 nan 0.000 0.476 1095 R N -0.064 120.460 120.500 0.040 0.000 2.513 1095 R HA 0.383 4.711 4.340 -0.020 0.000 0.301 1095 R C -0.129 176.203 176.300 0.053 0.000 0.968 1095 R CA -0.956 55.172 56.100 0.046 0.000 0.872 1095 R CB 2.011 32.343 30.300 0.053 0.000 1.177 1095 R HN -0.106 nan 8.270 nan 0.000 0.444 1096 V N 4.853 124.794 119.914 0.046 0.000 2.521 1096 V HA 0.044 4.152 4.120 -0.020 0.000 0.286 1096 V C 1.158 177.288 176.094 0.060 0.000 1.034 1096 V CA 0.541 62.868 62.300 0.046 0.000 1.045 1096 V CB 0.754 32.592 31.823 0.024 0.000 0.974 1096 V HN 0.579 nan 8.190 nan 0.000 0.480 1097 K N 2.367 122.814 120.400 0.078 0.000 2.435 1097 K HA 0.314 4.622 4.320 -0.020 0.000 0.199 1097 K C -0.040 176.623 176.600 0.105 0.000 1.153 1097 K CA 0.362 56.712 56.287 0.104 0.000 0.974 1097 K CB 0.841 33.403 32.500 0.103 0.000 0.997 1097 K HN 0.661 nan 8.250 nan 0.000 0.547 1098 C N 1.654 121.015 119.300 0.102 0.000 3.254 1098 C HA 0.248 4.696 4.460 -0.020 0.000 0.405 1098 C C -1.240 173.826 174.990 0.125 0.000 1.027 1098 C CA -1.213 57.879 59.018 0.123 0.000 1.192 1098 C CB 0.866 28.737 27.740 0.220 0.000 1.567 1098 C HN 0.500 nan 8.230 nan 0.000 0.582 1099 D N 1.465 121.928 120.400 0.105 0.000 2.378 1099 D HA 0.136 4.764 4.640 -0.020 0.000 0.238 1099 D C 0.197 176.547 176.300 0.083 0.000 1.180 1099 D CA 0.584 54.645 54.000 0.101 0.000 0.895 1099 D CB 0.438 41.294 40.800 0.095 0.000 1.192 1099 D HN 0.741 nan 8.370 nan 0.000 0.438 1100 H N 1.915 120.875 119.070 -0.184 0.000 2.588 1100 H HA 0.128 4.672 4.556 -0.020 0.000 0.223 1100 H C 0.156 175.068 175.328 -0.695 0.000 1.804 1100 H CA -0.568 55.031 56.048 -0.749 0.000 1.269 1100 H CB -0.684 28.608 29.762 -0.784 0.000 1.670 1100 H HN 0.499 nan 8.280 nan 0.000 0.539 1101 Y N 0.449 120.636 120.300 -0.189 0.000 2.736 1101 Y HA -0.045 4.493 4.550 -0.019 0.000 0.298 1101 Y C -0.143 175.803 175.900 0.076 0.000 1.156 1101 Y CA -0.594 57.471 58.100 -0.057 0.000 1.384 1101 Y CB -1.102 37.202 38.460 -0.259 0.000 0.976 1101 Y HN 0.426 nan 8.280 nan 0.000 0.556 1102 W N -0.116 120.909 121.300 -0.459 0.000 2.655 1102 W HA 0.753 5.400 4.660 -0.021 0.000 0.358 1102 W C -2.977 173.415 176.519 -0.211 0.000 1.100 1102 W CA -3.453 53.687 57.345 -0.342 0.000 1.195 1102 W CB 0.168 29.283 29.460 -0.576 0.000 1.403 1102 W HN -0.401 nan 8.180 nan 0.000 0.589 1103 P HA -0.027 nan 4.420 nan 0.000 0.265 1103 P C -0.005 177.245 177.300 -0.083 0.000 1.187 1103 P CA 0.372 63.471 63.100 -0.001 0.000 0.766 1103 P CB 0.359 32.084 31.700 0.042 0.000 0.820 1104 F N -0.266 119.705 119.950 0.035 0.000 2.664 1104 F HA 0.036 4.551 4.527 -0.020 0.000 0.296 1104 F C 1.705 177.537 175.800 0.053 0.000 1.125 1104 F CA 0.747 58.745 58.000 -0.004 0.000 1.444 1104 F CB -0.076 38.823 39.000 -0.168 0.000 1.114 1104 F HN 0.283 nan 8.300 nan 0.000 0.576 1105 T N -4.652 110.022 114.554 0.199 0.000 2.693 1105 T HA 0.566 4.904 4.350 -0.020 0.000 0.278 1105 T C 0.909 175.677 174.700 0.114 0.000 0.994 1105 T CA 0.058 62.240 62.100 0.137 0.000 1.033 1105 T CB 1.126 70.050 68.868 0.094 0.000 1.342 1105 T HN -0.106 nan 8.240 nan 0.000 0.538 1106 E N -0.434 119.816 120.200 0.083 0.000 2.318 1106 E HA 0.166 4.504 4.350 -0.020 0.000 0.193 1106 E C 0.313 176.940 176.600 0.044 0.000 0.998 1106 E CA 0.481 56.923 56.400 0.069 0.000 0.859 1106 E CB -0.765 28.968 29.700 0.056 0.000 0.812 1106 E HN 0.804 nan 8.360 nan 0.000 0.492 1107 D N 1.402 121.820 120.400 0.031 0.000 2.390 1107 D HA 0.176 4.804 4.640 -0.020 0.000 0.249 1107 D C -2.262 174.033 176.300 -0.009 0.000 1.144 1107 D CA -1.338 52.666 54.000 0.008 0.000 0.880 1107 D CB 1.329 42.129 40.800 -0.000 0.000 1.182 1107 D HN 0.200 nan 8.370 nan 0.000 0.451 1108 P HA -0.007 nan 4.420 nan 0.000 0.264 1108 P C -0.751 176.489 177.300 -0.101 0.000 1.183 1108 P CA 0.059 63.124 63.100 -0.058 0.000 0.763 1108 P CB 0.719 32.390 31.700 -0.049 0.000 0.807 1109 I N 1.982 122.453 120.570 -0.165 0.000 2.474 1109 I HA 0.357 4.515 4.170 -0.020 0.000 0.294 1109 I C 0.437 176.317 176.117 -0.395 0.000 1.005 1109 I CA -1.304 59.811 61.300 -0.307 0.000 1.113 1109 I CB 1.606 39.337 38.000 -0.447 0.000 1.289 1109 I HN 0.354 nan 8.210 nan 0.000 0.436 1110 A N 6.793 129.401 122.820 -0.352 0.000 2.279 1110 A HA 0.506 4.814 4.320 -0.020 0.000 0.306 1110 A C -1.263 176.133 177.584 -0.313 0.000 1.300 1110 A CA -0.217 51.677 52.037 -0.238 0.000 0.925 1110 A CB -0.242 18.689 19.000 -0.115 0.000 1.152 1110 A HN 0.518 nan 8.150 nan 0.000 0.544 1111 Y N 2.882 123.144 120.300 -0.063 0.000 2.700 1111 Y HA 0.464 5.002 4.550 -0.020 0.000 0.333 1111 Y C 1.346 177.278 175.900 0.054 0.000 1.036 1111 Y CA 0.766 58.876 58.100 0.016 0.000 1.287 1111 Y CB 0.683 39.156 38.460 0.020 0.000 1.132 1111 Y HN 1.286 nan 8.280 nan 0.000 0.510 1112 G N 2.127 111.016 108.800 0.149 0.000 2.527 1112 G HA2 -0.332 3.616 3.960 -0.020 0.000 0.268 1112 G HA3 -0.332 3.616 3.960 -0.020 0.000 0.268 1112 G C 0.617 175.577 174.900 0.100 0.000 1.175 1112 G CA 0.362 45.532 45.100 0.117 0.000 0.962 1112 G HN 0.466 nan 8.290 nan 0.000 0.560 1113 D N 0.692 121.154 120.400 0.104 0.000 2.347 1113 D HA 0.140 4.768 4.640 -0.020 0.000 0.213 1113 D C 1.211 177.644 176.300 0.221 0.000 0.985 1113 D CA 0.615 54.718 54.000 0.170 0.000 0.879 1113 D CB 0.254 41.187 40.800 0.222 0.000 0.919 1113 D HN 0.430 nan 8.370 nan 0.000 0.526 1114 I N 1.650 122.308 120.570 0.146 0.000 2.315 1114 I HA 0.077 4.235 4.170 -0.020 0.000 0.291 1114 I C 0.761 176.917 176.117 0.065 0.000 1.006 1114 I CA -0.450 60.933 61.300 0.137 0.000 1.265 1114 I CB 1.483 39.554 38.000 0.119 0.000 1.387 1114 I HN -0.200 nan 8.210 nan 0.000 0.475 1115 T N 3.405 117.976 114.554 0.028 0.000 2.918 1115 T HA 0.681 5.019 4.350 -0.020 0.000 0.283 1115 T C -0.350 174.277 174.700 -0.121 0.000 1.001 1115 T CA -0.670 61.402 62.100 -0.048 0.000 1.041 1115 T CB 1.863 70.707 68.868 -0.040 0.000 1.028 1115 T HN 0.244 nan 8.240 nan 0.000 0.511 1116 V N 1.797 121.604 119.914 -0.179 0.000 2.577 1116 V HA 0.516 4.624 4.120 -0.020 0.000 0.303 1116 V C -0.423 175.559 176.094 -0.186 0.000 1.042 1116 V CA -0.780 61.335 62.300 -0.309 0.000 0.872 1116 V CB 1.551 32.974 31.823 -0.667 0.000 0.998 1116 V HN 1.069 nan 8.190 nan 0.000 0.423 1117 E N 4.354 124.490 120.200 -0.106 0.000 2.185 1117 E HA 0.442 4.780 4.350 -0.020 0.000 0.261 1117 E C -0.648 176.006 176.600 0.090 0.000 0.879 1117 E CA -0.663 55.729 56.400 -0.013 0.000 0.756 1117 E CB 1.589 31.294 29.700 0.007 0.000 1.152 1117 E HN 0.765 nan 8.360 nan 0.000 0.416 1118 M N 7.253 126.939 119.600 0.144 0.000 2.383 1118 M HA 0.073 4.541 4.480 -0.020 0.000 0.337 1118 M C -0.085 176.303 176.300 0.146 0.000 1.422 1118 M CA -0.551 54.934 55.300 0.308 0.000 1.333 1118 M CB 0.309 33.130 32.600 0.367 0.000 1.488 1118 M HN 0.654 nan 8.290 nan 0.000 0.454 1119 L N 2.401 123.686 121.223 0.103 0.000 2.079 1119 L HA -0.037 4.291 4.340 -0.020 0.000 0.210 1119 L C 1.032 177.916 176.870 0.024 0.000 1.081 1119 L CA 1.029 55.899 54.840 0.050 0.000 0.752 1119 L CB -1.906 40.177 42.059 0.040 0.000 0.896 1119 L HN 0.817 nan 8.230 nan 0.000 0.433 1120 S N -1.809 113.878 115.700 -0.022 0.000 2.547 1120 S HA 0.490 4.949 4.470 -0.020 0.000 0.270 1120 S C -0.787 173.744 174.600 -0.116 0.000 1.150 1120 S CA -0.924 57.253 58.200 -0.039 0.000 0.850 1120 S CB 2.774 65.963 63.200 -0.018 0.000 1.118 1120 S HN 0.166 nan 8.310 nan 0.000 0.461 1121 E N 0.638 120.804 120.200 -0.058 0.000 2.235 1121 E HA 0.302 4.640 4.350 -0.020 0.000 0.252 1121 E C -1.345 175.236 176.600 -0.033 0.000 0.886 1121 E CA -0.137 56.223 56.400 -0.066 0.000 0.767 1121 E CB 1.163 30.881 29.700 0.030 0.000 1.205 1121 E HN 0.691 nan 8.360 nan 0.000 0.421 1122 E N 4.102 124.281 120.200 -0.036 0.000 2.113 1122 E HA 0.170 4.508 4.350 -0.020 0.000 0.273 1122 E C -1.116 175.474 176.600 -0.017 0.000 0.924 1122 E CA -0.427 55.970 56.400 -0.004 0.000 0.764 1122 E CB 1.270 31.029 29.700 0.098 0.000 1.104 1122 E HN 0.437 nan 8.360 nan 0.000 0.406 1123 E N 3.602 123.750 120.200 -0.086 0.000 2.166 1123 E HA 0.217 4.555 4.350 -0.020 0.000 0.275 1123 E C -0.794 175.696 176.600 -0.182 0.000 0.941 1123 E CA -0.578 55.785 56.400 -0.061 0.000 0.784 1123 E CB 0.766 30.461 29.700 -0.009 0.000 1.115 1123 E HN 0.511 nan 8.360 nan 0.000 0.399 1124 H N 1.616 120.656 119.070 -0.050 0.000 3.315 1124 H HA 0.223 4.767 4.556 -0.020 0.000 0.280 1124 H C 0.580 175.758 175.328 -0.250 0.000 1.664 1124 H CA -0.560 55.375 56.048 -0.188 0.000 1.531 1124 H CB 1.289 30.822 29.762 -0.383 0.000 1.673 1124 H HN 0.502 nan 8.280 nan 0.000 0.857 1125 T N -0.249 114.202 114.554 -0.173 0.000 2.809 1125 T HA -0.075 4.263 4.350 -0.020 0.000 0.260 1125 T C 0.722 175.247 174.700 -0.291 0.000 1.039 1125 T CA 1.466 63.436 62.100 -0.216 0.000 1.141 1125 T CB -0.106 68.632 68.868 -0.216 0.000 0.869 1125 T HN 0.382 nan 8.240 nan 0.000 0.437 1126 D N -0.962 119.132 120.400 -0.510 0.000 2.431 1126 D HA 0.190 4.818 4.640 -0.020 0.000 0.227 1126 D C 0.235 176.279 176.300 -0.427 0.000 1.030 1126 D CA 0.236 53.950 54.000 -0.476 0.000 0.897 1126 D CB 0.477 41.005 40.800 -0.453 0.000 1.058 1126 D HN 0.544 nan 8.370 nan 0.000 0.500 1127 W N 0.023 121.215 121.300 -0.180 0.000 3.017 1127 W HA 0.709 5.357 4.660 -0.020 0.000 0.341 1127 W C -1.217 175.361 176.519 0.099 0.000 1.180 1127 W CA -1.086 56.192 57.345 -0.112 0.000 1.097 1127 W CB 0.651 30.113 29.460 0.002 0.000 1.468 1127 W HN -0.399 nan 8.180 nan 0.000 0.584 1128 V N 1.322 121.524 119.914 0.480 0.000 2.888 1128 V HA 0.381 4.489 4.120 -0.020 0.000 0.309 1128 V C -1.672 174.660 176.094 0.396 0.000 1.114 1128 V CA -0.920 61.589 62.300 0.348 0.000 0.940 1128 V CB 1.694 33.617 31.823 0.167 0.000 1.021 1128 V HN 0.582 nan 8.190 nan 0.000 0.426 1129 Y N 4.412 124.811 120.300 0.164 0.000 2.429 1129 Y HA 0.811 5.349 4.550 -0.020 0.000 0.342 1129 Y C -0.207 175.592 175.900 -0.168 0.000 1.004 1129 Y CA -1.083 57.003 58.100 -0.023 0.000 1.075 1129 Y CB 1.681 40.164 38.460 0.040 0.000 1.214 1129 Y HN 0.602 nan 8.280 nan 0.000 0.455 1130 R N 3.814 123.534 120.500 -1.300 0.000 2.621 1130 R HA 0.276 4.604 4.340 -0.020 0.000 0.284 1130 R C -1.714 173.676 176.300 -1.517 0.000 0.998 1130 R CA -1.116 54.233 56.100 -1.252 0.000 0.895 1130 R CB 1.642 31.266 30.300 -1.127 0.000 1.195 1130 R HN 0.662 nan 8.270 nan 0.000 0.450 1131 N N 3.146 121.251 118.700 -0.990 0.000 2.469 1131 N HA 0.295 5.023 4.740 -0.020 0.000 0.253 1131 N C -1.305 174.050 175.510 -0.259 0.000 0.970 1131 N CA -0.194 52.535 53.050 -0.535 0.000 0.940 1131 N CB 0.515 38.878 38.487 -0.207 0.000 1.128 1131 N HN 0.367 nan 8.380 nan 0.000 0.503 1132 F N 1.417 121.316 119.950 -0.084 0.000 2.450 1132 F HA 0.520 5.035 4.527 -0.020 0.000 0.328 1132 F C 0.931 176.733 175.800 0.002 0.000 1.068 1132 F CA -1.307 56.673 58.000 -0.033 0.000 1.007 1132 F CB 1.635 40.649 39.000 0.024 0.000 1.251 1132 F HN 0.216 nan 8.300 nan 0.000 0.492 1133 R N 2.888 123.513 120.500 0.208 0.000 2.680 1133 R HA 0.372 4.700 4.340 -0.020 0.000 0.278 1133 R C -1.241 175.094 176.300 0.058 0.000 1.582 1133 R CA -0.293 55.878 56.100 0.118 0.000 1.177 1133 R CB 0.635 30.984 30.300 0.083 0.000 1.232 1133 R HN 0.692 nan 8.270 nan 0.000 0.528 1134 I N 0.437 121.048 120.570 0.067 0.000 2.577 1134 I HA 0.727 4.885 4.170 -0.020 0.000 0.300 1134 I C -0.456 175.700 176.117 0.064 0.000 0.990 1134 I CA -0.457 60.854 61.300 0.018 0.000 1.283 1134 I CB 1.971 39.995 38.000 0.040 0.000 1.411 1134 I HN 0.600 nan 8.210 nan 0.000 0.515 1135 S N 3.611 119.352 115.700 0.068 0.000 2.570 1135 S HA 0.611 5.069 4.470 -0.020 0.000 0.270 1135 S C -1.432 173.272 174.600 0.173 0.000 1.149 1135 S CA -0.722 57.538 58.200 0.100 0.000 0.837 1135 S CB 1.733 64.967 63.200 0.056 0.000 1.124 1135 S HN 0.868 nan 8.310 nan 0.000 0.465 1136 Y N 1.600 121.916 120.300 0.025 0.000 2.433 1136 Y HA 0.674 5.213 4.550 -0.019 0.000 0.337 1136 Y C 0.412 176.325 175.900 0.022 0.000 1.026 1136 Y CA 0.273 58.389 58.100 0.026 0.000 1.037 1136 Y CB 1.156 39.638 38.460 0.037 0.000 1.245 1136 Y HN 1.780 nan 8.280 nan 0.000 0.443 1137 A N 3.435 125.883 122.820 -0.621 0.000 5.318 1137 A HA -0.309 3.999 4.320 -0.020 0.000 0.329 1137 A C 0.124 177.584 177.584 -0.207 0.000 1.789 1137 A CA 1.968 53.706 52.037 -0.498 0.000 0.711 1137 A CB -1.748 16.854 19.000 -0.663 0.000 1.398 1137 A HN 0.770 nan 8.150 nan 0.000 0.392 1138 D N 1.477 121.786 120.400 -0.151 0.000 3.133 1138 D HA 0.389 5.017 4.640 -0.020 0.000 0.288 1138 D C -0.109 176.177 176.300 -0.022 0.000 1.346 1138 D CA 0.555 54.516 54.000 -0.065 0.000 0.934 1138 D CB 0.350 41.118 40.800 -0.053 0.000 1.042 1138 D HN 0.564 nan 8.370 nan 0.000 0.506 1139 E N 1.310 121.512 120.200 0.003 0.000 2.731 1139 E HA 0.202 4.540 4.350 -0.020 0.000 0.248 1139 E C -1.017 175.624 176.600 0.068 0.000 1.084 1139 E CA -0.439 55.991 56.400 0.050 0.000 0.776 1139 E CB 1.101 30.857 29.700 0.094 0.000 1.404 1139 E HN -0.148 nan 8.360 nan 0.000 0.395 1140 V N 3.758 123.703 119.914 0.051 0.000 2.530 1140 V HA 0.214 4.322 4.120 -0.020 0.000 0.282 1140 V C 0.098 176.234 176.094 0.069 0.000 1.048 1140 V CA -0.000 62.334 62.300 0.057 0.000 0.997 1140 V CB 1.186 33.035 31.823 0.043 0.000 0.987 1140 V HN 0.655 nan 8.190 nan 0.000 0.477 1141 Q N 3.075 122.926 119.800 0.084 0.000 2.289 1141 Q HA 0.351 4.679 4.340 -0.020 0.000 0.270 1141 Q C -1.598 174.468 176.000 0.111 0.000 1.038 1141 Q CA -0.775 55.084 55.803 0.093 0.000 0.812 1141 Q CB 2.370 31.170 28.738 0.103 0.000 1.300 1141 Q HN 0.732 nan 8.270 nan 0.000 0.427 1142 D N 1.878 122.342 120.400 0.107 0.000 2.264 1142 D HA 0.454 5.082 4.640 -0.020 0.000 0.249 1142 D C -0.879 175.512 176.300 0.151 0.000 1.070 1142 D CA -0.070 54.004 54.000 0.122 0.000 0.912 1142 D CB 1.919 42.778 40.800 0.099 0.000 1.193 1142 D HN 0.304 nan 8.370 nan 0.000 0.427 1143 V N 2.740 122.763 119.914 0.182 0.000 2.612 1143 V HA 0.266 4.374 4.120 -0.020 0.000 0.301 1143 V C 0.004 176.161 176.094 0.106 0.000 1.059 1143 V CA -0.700 61.727 62.300 0.212 0.000 0.886 1143 V CB 1.786 33.840 31.823 0.385 0.000 1.007 1143 V HN 0.431 nan 8.190 nan 0.000 0.426 1144 M N 4.449 124.095 119.600 0.077 0.000 2.314 1144 M HA 0.527 4.995 4.480 -0.020 0.000 0.342 1144 M C -0.457 175.733 176.300 -0.183 0.000 1.171 1144 M CA -0.328 54.935 55.300 -0.061 0.000 1.098 1144 M CB 1.042 33.694 32.600 0.087 0.000 1.559 1144 M HN 0.705 nan 8.290 nan 0.000 0.459 1145 H N 2.909 121.575 119.070 -0.673 0.000 2.924 1145 H HA 0.420 4.964 4.556 -0.020 0.000 0.333 1145 H C -2.123 172.895 175.328 -0.518 0.000 0.979 1145 H CA -0.519 55.210 56.048 -0.532 0.000 1.326 1145 H CB 0.897 30.220 29.762 -0.732 0.000 1.600 1145 H HN 0.564 nan 8.280 nan 0.000 0.520 1146 F N 3.640 123.509 119.950 -0.135 0.000 2.402 1146 F HA 0.193 4.708 4.527 -0.020 0.000 0.355 1146 F C 0.434 176.252 175.800 0.029 0.000 1.123 1146 F CA -0.900 57.181 58.000 0.134 0.000 1.021 1146 F CB 1.104 40.237 39.000 0.222 0.000 1.160 1146 F HN 0.443 nan 8.300 nan 0.000 0.451 1147 N N 3.017 121.847 118.700 0.217 0.000 2.558 1147 N HA 0.138 4.866 4.740 -0.020 0.000 0.242 1147 N C -1.495 174.060 175.510 0.075 0.000 0.979 1147 N CA -0.520 52.568 53.050 0.064 0.000 0.931 1147 N CB 0.306 38.810 38.487 0.029 0.000 1.122 1147 N HN 0.498 nan 8.380 nan 0.000 0.508 1148 Y N 2.690 122.835 120.300 -0.258 0.000 2.480 1148 Y HA 0.125 4.663 4.550 -0.020 0.000 0.341 1148 Y C 1.520 177.391 175.900 -0.047 0.000 1.031 1148 Y CA 0.515 58.406 58.100 -0.348 0.000 1.295 1148 Y CB 0.736 38.813 38.460 -0.638 0.000 1.162 1148 Y HN 0.638 nan 8.280 nan 0.000 0.523 1149 T N 0.436 114.848 114.554 -0.236 0.000 2.971 1149 T HA 0.247 4.585 4.350 -0.020 0.000 0.252 1149 T C 1.220 175.866 174.700 -0.089 0.000 1.022 1149 T CA 0.389 62.444 62.100 -0.075 0.000 0.980 1149 T CB 0.216 69.062 68.868 -0.037 0.000 1.044 1149 T HN 0.551 nan 8.240 nan 0.000 0.501 1150 A N 0.802 123.420 122.820 -0.336 0.000 2.415 1150 A HA 0.300 4.608 4.320 -0.020 0.000 0.248 1150 A C 0.510 178.173 177.584 0.132 0.000 1.299 1150 A CA -0.868 51.069 52.037 -0.166 0.000 0.899 1150 A CB -0.936 17.898 19.000 -0.276 0.000 0.997 1150 A HN 0.679 nan 8.150 nan 0.000 0.506 1151 W N 2.432 123.864 121.300 0.220 0.000 2.480 1151 W HA -0.020 4.628 4.660 -0.019 0.000 0.337 1151 W C -2.145 174.446 176.519 0.120 0.000 1.201 1151 W CA -0.520 57.025 57.345 0.332 0.000 1.309 1151 W CB 0.596 30.170 29.460 0.190 0.000 1.168 1151 W HN 0.238 nan 8.180 nan 0.000 0.566 1152 P HA -0.104 nan 4.420 nan 0.000 0.235 1152 P C -0.043 177.185 177.300 -0.120 0.000 1.670 1152 P CA 0.915 63.830 63.100 -0.308 0.000 1.017 1152 P CB -0.186 31.174 31.700 -0.565 0.000 1.945 1153 D N -0.491 119.977 120.400 0.112 0.000 3.475 1153 D HA -0.361 4.267 4.640 -0.020 0.000 0.191 1153 D C 1.234 177.725 176.300 0.318 0.000 1.523 1153 D CA 3.713 57.811 54.000 0.162 0.000 2.228 1153 D CB -1.631 39.197 40.800 0.046 0.000 1.310 1153 D HN 0.586 nan 8.370 nan 0.000 0.413 1154 H N -3.475 115.800 119.070 0.342 0.000 3.328 1154 H HA 0.187 4.731 4.556 -0.020 0.000 0.115 1154 H C 1.160 176.576 175.328 0.145 0.000 0.628 1154 H CA 1.200 57.547 56.048 0.499 0.000 0.680 1154 H CB -1.363 nan 29.762 nan 0.000 0.356 1154 H HN 0.948 nan 8.280 nan 0.000 0.555 1155 G N -0.494 108.327 108.800 0.035 0.000 2.510 1155 G HA2 0.849 4.797 3.960 -0.020 0.000 0.280 1155 G HA3 0.849 4.797 3.960 -0.020 0.000 0.280 1155 G C 1.615 176.449 174.900 -0.110 0.000 1.386 1155 G CA 2.676 47.751 45.100 -0.041 0.000 1.047 1155 G HN 2.502 nan 8.290 nan 0.000 0.527 1156 V N -2.481 117.376 119.914 -0.096 0.000 0.685 1156 V HA -0.163 3.945 4.120 -0.020 0.000 0.092 1156 V C -1.521 174.504 176.094 -0.114 0.000 0.878 1156 V CA 1.466 63.705 62.300 -0.102 0.000 3.118 1156 V CB -2.007 nan 31.823 nan 0.000 0.248 1156 V HN 0.919 nan 8.190 nan 0.000 0.192 1157 P HA 0.766 nan 4.420 nan 0.000 0.307 1157 P C 0.449 177.690 177.300 -0.098 0.000 1.371 1157 P CA 3.228 66.204 63.100 -0.206 0.000 0.850 1157 P CB 1.761 33.212 31.700 -0.417 0.000 2.144 1158 T N -2.203 112.313 114.554 -0.064 0.000 2.556 1158 T HA 0.393 4.731 4.350 -0.020 0.000 0.178 1158 T C -0.540 174.163 174.700 0.005 0.000 2.373 1158 T CA 0.933 63.024 62.100 -0.015 0.000 0.945 1158 T CB -1.571 67.280 68.868 -0.027 0.000 2.479 1158 T HN 0.557 nan 8.240 nan 0.000 0.291 1159 A N 1.727 124.542 122.820 -0.008 0.000 1.702 1159 A HA -0.029 4.279 4.320 -0.020 0.000 0.229 1159 A C 1.071 178.676 177.584 0.036 0.000 1.240 1159 A CA 1.569 53.609 52.037 0.006 0.000 0.725 1159 A CB -1.742 nan 19.000 nan 0.000 1.188 1159 A HN 1.399 nan 8.150 nan 0.000 0.251 1160 N N 1.306 120.025 118.700 0.032 0.000 2.182 1160 N HA -0.111 4.617 4.740 -0.020 0.000 0.192 1160 N C 1.297 176.834 175.510 0.046 0.000 1.007 1160 N CA 1.714 54.787 53.050 0.038 0.000 0.873 1160 N CB -0.352 38.151 38.487 0.027 0.000 0.998 1160 N HN 1.190 nan 8.380 nan 0.000 0.436 1161 A N -0.065 122.781 122.820 0.044 0.000 2.863 1161 A HA 0.428 4.736 4.320 -0.020 0.000 0.246 1161 A C 1.365 178.999 177.584 0.084 0.000 1.772 1161 A CA 0.450 52.522 52.037 0.058 0.000 1.456 1161 A CB -0.977 18.052 19.000 0.048 0.000 0.930 1161 A HN 0.315 nan 8.150 nan 0.000 0.630 1162 A N -0.250 122.624 122.820 0.090 0.000 2.251 1162 A HA 0.189 4.497 4.320 -0.020 0.000 0.209 1162 A C 1.632 179.259 177.584 0.072 0.000 1.187 1162 A CA 0.890 53.005 52.037 0.129 0.000 0.823 1162 A CB -0.135 18.945 19.000 0.134 0.000 0.846 1162 A HN 0.685 nan 8.150 nan 0.000 0.486 1163 E N 0.030 120.273 120.200 0.072 0.000 2.152 1163 E HA -0.119 4.219 4.350 -0.020 0.000 0.192 1163 E C 1.930 178.617 176.600 0.145 0.000 0.983 1163 E CA 1.337 57.779 56.400 0.070 0.000 0.818 1163 E CB -0.265 29.473 29.700 0.063 0.000 0.758 1163 E HN 0.409 nan 8.360 nan 0.000 0.467 1164 S N -0.667 115.157 115.700 0.206 0.000 2.383 1164 S HA -0.139 4.319 4.470 -0.020 0.000 0.229 1164 S C 1.639 176.527 174.600 0.481 0.000 1.030 1164 S CA 1.384 59.816 58.200 0.386 0.000 1.002 1164 S CB -0.259 63.151 63.200 0.349 0.000 0.829 1164 S HN 0.347 nan 8.310 nan 0.000 0.467 1165 I N 1.333 122.044 120.570 0.235 0.000 2.500 1165 I HA 0.023 4.181 4.170 -0.020 0.000 0.252 1165 I C 2.084 178.238 176.117 0.062 0.000 1.142 1165 I CA 0.794 62.111 61.300 0.028 0.000 1.451 1165 I CB -0.455 37.484 38.000 -0.102 0.000 1.093 1165 I HN 0.270 nan 8.210 nan 0.000 0.430 1166 L N -0.401 120.842 121.223 0.033 0.000 2.109 1166 L HA -0.183 4.146 4.340 -0.020 0.000 0.207 1166 L C 2.562 179.412 176.870 -0.032 0.000 1.086 1166 L CA 1.232 56.050 54.840 -0.037 0.000 0.760 1166 L CB -0.646 41.380 42.059 -0.056 0.000 0.910 1166 L HN 0.308 nan 8.230 nan 0.000 0.437 1167 Q N -0.591 119.243 119.800 0.057 0.000 2.050 1167 Q HA -0.244 4.084 4.340 -0.020 0.000 0.202 1167 Q C 2.181 178.068 176.000 -0.190 0.000 0.980 1167 Q CA 1.863 57.682 55.803 0.026 0.000 0.840 1167 Q CB -0.229 28.669 28.738 0.267 0.000 0.898 1167 Q HN 0.357 nan 8.270 nan 0.000 0.424 1168 F N 0.817 120.519 119.950 -0.414 0.000 2.095 1168 F HA -0.250 4.264 4.527 -0.020 0.000 0.298 1168 F C 1.991 177.581 175.800 -0.350 0.000 1.104 1168 F CA 1.211 58.828 58.000 -0.639 0.000 1.232 1168 F CB -0.418 38.401 39.000 -0.302 0.000 0.987 1168 F HN -0.183 nan 8.300 nan 0.000 0.475 1169 V N 0.487 120.238 119.914 -0.271 0.000 2.261 1169 V HA -0.357 3.751 4.120 -0.020 0.000 0.246 1169 V C 2.406 178.271 176.094 -0.381 0.000 1.047 1169 V CA 2.201 64.295 62.300 -0.343 0.000 1.015 1169 V CB -1.062 30.570 31.823 -0.318 0.000 0.642 1169 V HN 0.445 nan 8.190 nan 0.000 0.446 1170 Q N 0.170 119.795 119.800 -0.292 0.000 2.077 1170 Q HA -0.293 4.035 4.340 -0.020 0.000 0.206 1170 Q C 2.178 177.997 176.000 -0.303 0.000 0.989 1170 Q CA 2.860 58.513 55.803 -0.250 0.000 0.853 1170 Q CB -0.552 28.081 28.738 -0.174 0.000 0.907 1170 Q HN 0.640 nan 8.270 nan 0.000 0.418 1171 M N -0.851 118.518 119.600 -0.386 0.000 2.065 1171 M HA -0.186 4.282 4.480 -0.020 0.000 0.259 1171 M C 1.783 177.723 176.300 -0.600 0.000 1.069 1171 M CA 2.071 57.106 55.300 -0.443 0.000 1.110 1171 M CB -0.122 32.160 32.600 -0.531 0.000 1.328 1171 M HN 0.228 nan 8.290 nan 0.000 0.405 1172 V N 0.446 119.842 119.914 -0.864 0.000 2.295 1172 V HA -0.255 3.853 4.120 -0.020 0.000 0.246 1172 V C 2.477 178.299 176.094 -0.454 0.000 1.049 1172 V CA 2.167 63.898 62.300 -0.947 0.000 1.024 1172 V CB -1.036 30.275 31.823 -0.853 0.000 0.648 1172 V HN 0.510 nan 8.190 nan 0.000 0.447 1173 R N 1.504 121.802 120.500 -0.337 0.000 2.083 1173 R HA -0.203 4.125 4.340 -0.020 0.000 0.237 1173 R C 2.295 178.485 176.300 -0.182 0.000 1.137 1173 R CA 2.024 57.994 56.100 -0.216 0.000 0.951 1173 R CB -0.724 29.445 30.300 -0.217 0.000 0.851 1173 R HN 0.788 nan 8.270 nan 0.000 0.434 1174 Q N -0.503 119.179 119.800 -0.195 0.000 2.491 1174 Q HA -0.021 4.307 4.340 -0.020 0.000 0.214 1174 Q C 0.283 176.217 176.000 -0.109 0.000 0.970 1174 Q CA 0.789 56.509 55.803 -0.139 0.000 0.960 1174 Q CB 0.292 28.953 28.738 -0.128 0.000 0.996 1174 Q HN 0.082 nan 8.270 nan 0.000 0.524 1175 K N -0.072 120.256 120.400 -0.119 0.000 2.477 1175 K HA 0.152 4.460 4.320 -0.020 0.000 0.208 1175 K C 1.232 177.823 176.600 -0.015 0.000 1.117 1175 K CA 0.146 56.407 56.287 -0.044 0.000 1.039 1175 K CB 0.882 33.387 32.500 0.009 0.000 0.937 1175 K HN 0.082 nan 8.250 nan 0.000 0.570 1176 S N 1.371 117.039 115.700 -0.053 0.000 2.423 1176 S HA -0.072 4.386 4.470 -0.020 0.000 0.231 1176 S C 1.374 175.957 174.600 -0.027 0.000 1.014 1176 S CA 0.898 59.076 58.200 -0.036 0.000 0.965 1176 S CB -0.132 63.027 63.200 -0.069 0.000 0.785 1176 S HN 0.157 nan 8.310 nan 0.000 0.495 1177 V N -0.044 119.851 119.914 -0.032 0.000 3.016 1177 V HA 0.335 4.443 4.120 -0.020 0.000 0.344 1177 V C 0.478 176.569 176.094 -0.005 0.000 1.457 1177 V CA 0.461 62.746 62.300 -0.025 0.000 1.568 1177 V CB -1.463 30.343 31.823 -0.030 0.000 1.224 1177 V HN 0.390 nan 8.190 nan 0.000 0.450 1178 K N -0.590 119.815 120.400 0.008 0.000 2.604 1178 K HA 0.173 4.481 4.320 -0.020 0.000 0.201 1178 K C 0.806 177.427 176.600 0.035 0.000 1.733 1178 K CA 0.282 56.585 56.287 0.026 0.000 1.115 1178 K CB 0.786 33.312 32.500 0.044 0.000 1.532 1178 K HN 0.311 nan 8.250 nan 0.000 0.595 1179 S N 1.615 117.334 115.700 0.032 0.000 2.835 1179 S HA 0.262 4.720 4.470 -0.020 0.000 0.286 1179 S C 1.108 175.717 174.600 0.014 0.000 1.194 1179 S CA 0.169 58.391 58.200 0.037 0.000 1.031 1179 S CB 0.604 63.834 63.200 0.050 0.000 1.216 1179 S HN 0.309 nan 8.310 nan 0.000 0.502 1180 K N 3.292 123.702 120.400 0.017 0.000 2.089 1180 K HA -0.036 4.272 4.320 -0.020 0.000 0.210 1180 K C 1.139 177.741 176.600 0.003 0.000 1.048 1180 K CA 1.620 57.911 56.287 0.006 0.000 0.926 1180 K CB -1.504 31.004 32.500 0.013 0.000 0.714 1180 K HN 0.808 nan 8.250 nan 0.000 0.448 1181 G N 0.346 109.156 108.800 0.017 0.000 2.588 1181 G HA2 0.472 4.420 3.960 -0.020 0.000 0.281 1181 G HA3 0.472 4.420 3.960 -0.020 0.000 0.281 1181 G C -2.607 172.304 174.900 0.017 0.000 1.236 1181 G CA -0.923 44.191 45.100 0.023 0.000 0.969 1181 G HN 0.294 nan 8.290 nan 0.000 0.504 1182 P HA 0.081 nan 4.420 nan 0.000 0.269 1182 P C -0.102 177.218 177.300 0.034 0.000 1.215 1182 P CA -0.038 63.083 63.100 0.035 0.000 0.780 1182 P CB 0.534 32.306 31.700 0.120 0.000 0.898 1183 M N 3.496 123.112 119.600 0.027 0.000 2.108 1183 M HA 0.240 4.708 4.480 -0.020 0.000 0.347 1183 M C -0.628 175.772 176.300 0.167 0.000 1.326 1183 M CA -0.171 55.188 55.300 0.099 0.000 1.126 1183 M CB -0.301 32.368 32.600 0.115 0.000 1.606 1183 M HN 0.223 nan 8.290 nan 0.000 0.462 1184 I N 6.636 127.277 120.570 0.118 0.000 2.379 1184 I HA 0.230 4.388 4.170 -0.020 0.000 0.290 1184 I C -0.217 175.983 176.117 0.139 0.000 1.063 1184 I CA -0.058 61.304 61.300 0.103 0.000 1.351 1184 I CB 0.539 38.555 38.000 0.027 0.000 1.410 1184 I HN 0.675 nan 8.210 nan 0.000 0.505 1185 I N 7.845 128.491 120.570 0.127 0.000 2.569 1185 I HA 0.513 4.671 4.170 -0.020 0.000 0.296 1185 I C -0.920 175.243 176.117 0.077 0.000 1.028 1185 I CA -0.247 61.073 61.300 0.034 0.000 1.082 1185 I CB 1.373 39.376 38.000 0.005 0.000 1.264 1185 I HN 0.698 nan 8.210 nan 0.000 0.429 1186 H N 5.409 124.432 119.070 -0.077 0.000 2.981 1186 H HA 0.462 5.006 4.556 -0.020 0.000 0.327 1186 H C -1.298 173.972 175.328 -0.098 0.000 1.342 1186 H CA -0.438 55.566 56.048 -0.074 0.000 1.123 1186 H CB 1.749 31.477 29.762 -0.057 0.000 1.851 1186 H HN 0.876 nan 8.280 nan 0.000 0.531 1187 C N -0.021 119.254 119.300 -0.041 0.000 3.526 1187 C HA 0.525 4.973 4.460 -0.020 0.000 0.089 1187 C C 1.792 176.844 174.990 0.103 0.000 2.592 1187 C CA 0.803 59.751 59.018 -0.118 0.000 1.213 1187 C CB 0.860 28.458 27.740 -0.236 0.000 2.280 1187 C HN 0.762 nan 8.230 nan 0.000 0.501 1188 S N 0.391 116.124 115.700 0.055 0.000 2.738 1188 S HA 0.417 4.875 4.470 -0.020 0.000 0.216 1188 S C 1.917 176.676 174.600 0.266 0.000 0.968 1188 S CA 1.084 59.386 58.200 0.170 0.000 0.879 1188 S CB -0.581 62.718 63.200 0.166 0.000 0.837 1188 S HN 1.071 nan 8.310 nan 0.000 0.622 1189 A N -0.096 122.831 122.820 0.177 0.000 2.072 1189 A HA 0.464 4.772 4.320 -0.020 0.000 0.216 1189 A C 1.562 179.178 177.584 0.053 0.000 1.156 1189 A CA 1.107 53.237 52.037 0.155 0.000 0.701 1189 A CB -0.951 17.917 19.000 -0.220 0.000 0.816 1189 A HN 1.488 nan 8.150 nan 0.000 0.458 1190 G N -1.405 107.400 108.800 0.009 0.000 2.149 1190 G HA2 -0.168 3.780 3.960 -0.020 0.000 0.235 1190 G HA3 -0.168 3.780 3.960 -0.020 0.000 0.235 1190 G C 0.782 175.650 174.900 -0.054 0.000 1.018 1190 G CA 0.828 45.920 45.100 -0.012 0.000 0.728 1190 G HN 1.714 nan 8.290 nan 0.000 0.508 1191 V N -4.608 115.260 119.914 -0.076 0.000 3.193 1191 V HA 0.610 4.718 4.120 -0.020 0.000 0.237 1191 V C 2.178 178.237 176.094 -0.058 0.000 1.447 1191 V CA 1.478 63.734 62.300 -0.074 0.000 1.227 1191 V CB -0.462 31.311 31.823 -0.084 0.000 1.040 1191 V HN 0.932 nan 8.190 nan 0.000 0.458 1192 G N 0.815 109.566 108.800 -0.082 0.000 2.454 1192 G HA2 -0.067 3.881 3.960 -0.020 0.000 0.214 1192 G HA3 -0.067 3.881 3.960 -0.020 0.000 0.214 1192 G C 1.657 176.513 174.900 -0.074 0.000 1.217 1192 G CA 0.947 46.013 45.100 -0.057 0.000 0.799 1192 G HN 0.453 nan 8.290 nan 0.000 0.538 1193 R N -0.449 119.901 120.500 -0.250 0.000 2.100 1193 R HA 0.063 4.391 4.340 -0.020 0.000 0.220 1193 R C 2.886 179.059 176.300 -0.213 0.000 1.091 1193 R CA 1.231 57.045 56.100 -0.477 0.000 0.986 1193 R CB -0.518 29.074 30.300 -1.181 0.000 0.888 1193 R HN 0.255 nan 8.270 nan 0.000 0.444 1194 T N 0.179 114.633 114.554 -0.167 0.000 2.635 1194 T HA -0.161 4.177 4.350 -0.020 0.000 0.267 1194 T C 1.877 176.584 174.700 0.011 0.000 1.040 1194 T CA 1.727 63.786 62.100 -0.069 0.000 1.156 1194 T CB -0.580 68.247 68.868 -0.068 0.000 0.863 1194 T HN 0.533 nan 8.240 nan 0.000 0.430 1195 G N 0.917 109.708 108.800 -0.016 0.000 2.446 1195 G HA2 -0.234 3.714 3.960 -0.020 0.000 0.217 1195 G HA3 -0.234 3.714 3.960 -0.020 0.000 0.217 1195 G C 1.740 176.651 174.900 0.019 0.000 1.168 1195 G CA 1.556 46.642 45.100 -0.022 0.000 0.771 1195 G HN 0.477 nan 8.290 nan 0.000 0.551 1196 T N 0.794 115.423 114.554 0.126 0.000 2.720 1196 T HA -0.145 4.193 4.350 -0.020 0.000 0.268 1196 T C 1.917 176.720 174.700 0.172 0.000 1.037 1196 T CA 1.211 63.436 62.100 0.210 0.000 1.144 1196 T CB -0.314 68.830 68.868 0.459 0.000 0.864 1196 T HN 0.254 nan 8.240 nan 0.000 0.444 1197 F N 1.823 121.832 119.950 0.098 0.000 2.046 1197 F HA -0.101 4.413 4.527 -0.020 0.000 0.297 1197 F C 2.069 177.823 175.800 -0.077 0.000 1.123 1197 F CA 1.149 59.183 58.000 0.057 0.000 1.199 1197 F CB -0.539 38.496 39.000 0.059 0.000 0.972 1197 F HN 0.052 nan 8.300 nan 0.000 0.474 1198 I N 0.485 121.019 120.570 -0.060 0.000 2.151 1198 I HA -0.400 3.758 4.170 -0.020 0.000 0.243 1198 I C 2.698 178.553 176.117 -0.436 0.000 1.080 1198 I CA 1.418 62.471 61.300 -0.412 0.000 1.339 1198 I CB -1.082 36.580 38.000 -0.564 0.000 1.039 1198 I HN 0.324 nan 8.210 nan 0.000 0.409 1199 A N 0.878 123.474 122.820 -0.374 0.000 1.940 1199 A HA -0.174 4.134 4.320 -0.020 0.000 0.219 1199 A C 2.289 179.743 177.584 -0.217 0.000 1.176 1199 A CA 1.497 53.322 52.037 -0.353 0.000 0.631 1199 A CB -0.796 18.072 19.000 -0.221 0.000 0.814 1199 A HN 0.427 nan 8.150 nan 0.000 0.446 1200 L N -0.886 120.188 121.223 -0.250 0.000 2.109 1200 L HA -0.137 4.191 4.340 -0.020 0.000 0.207 1200 L C 2.297 178.996 176.870 -0.284 0.000 1.086 1200 L CA 1.615 56.295 54.840 -0.267 0.000 0.760 1200 L CB -0.585 41.295 42.059 -0.297 0.000 0.910 1200 L HN 0.408 nan 8.230 nan 0.000 0.437 1201 D N -0.788 119.389 120.400 -0.372 0.000 2.224 1201 D HA -0.176 4.452 4.640 -0.020 0.000 0.205 1201 D C 1.879 178.182 176.300 0.005 0.000 0.965 1201 D CA 0.938 54.776 54.000 -0.271 0.000 0.852 1201 D CB 0.102 40.709 40.800 -0.323 0.000 0.947 1201 D HN 0.147 nan 8.370 nan 0.000 0.494 1202 W N 0.690 121.885 121.300 -0.175 0.000 2.423 1202 W HA 0.104 4.752 4.660 -0.020 0.000 0.321 1202 W C 2.368 178.792 176.519 -0.158 0.000 1.180 1202 W CA 0.510 57.814 57.345 -0.069 0.000 1.322 1202 W CB -1.069 28.381 29.460 -0.016 0.000 1.174 1202 W HN -0.050 nan 8.180 nan 0.000 0.470 1203 L N -0.125 121.167 121.223 0.115 0.000 2.010 1203 L HA -0.312 4.016 4.340 -0.020 0.000 0.219 1203 L C 2.454 179.254 176.870 -0.116 0.000 1.077 1203 L CA 1.454 56.274 54.840 -0.033 0.000 0.773 1203 L CB -1.518 40.465 42.059 -0.127 0.000 0.892 1203 L HN 0.030 nan 8.230 nan 0.000 0.436 1204 L N -0.254 120.869 121.223 -0.167 0.000 2.034 1204 L HA -0.330 3.998 4.340 -0.020 0.000 0.217 1204 L C 2.632 179.352 176.870 -0.249 0.000 1.077 1204 L CA 2.010 56.727 54.840 -0.205 0.000 0.769 1204 L CB -0.426 41.500 42.059 -0.222 0.000 0.890 1204 L HN 0.305 nan 8.230 nan 0.000 0.435 1205 Q N -2.236 117.343 119.800 -0.368 0.000 2.062 1205 Q HA -0.197 4.131 4.340 -0.020 0.000 0.196 1205 Q C 2.230 177.900 176.000 -0.549 0.000 0.967 1205 Q CA 1.258 56.696 55.803 -0.608 0.000 0.832 1205 Q CB -0.411 27.648 28.738 -1.132 0.000 0.899 1205 Q HN 0.625 nan 8.270 nan 0.000 0.442 1206 H N 0.918 119.692 119.070 -0.493 0.000 2.421 1206 H HA -0.065 4.479 4.556 -0.020 0.000 0.298 1206 H C 1.781 177.025 175.328 -0.139 0.000 1.087 1206 H CA 1.195 57.181 56.048 -0.103 0.000 1.330 1206 H CB 0.148 29.890 29.762 -0.033 0.000 1.388 1206 H HN 0.239 nan 8.280 nan 0.000 0.526 1207 I N 0.284 120.804 120.570 -0.084 0.000 2.353 1207 I HA -0.196 3.962 4.170 -0.020 0.000 0.248 1207 I C 2.957 178.993 176.117 -0.135 0.000 1.119 1207 I CA 0.690 61.918 61.300 -0.120 0.000 1.417 1207 I CB -0.285 37.632 38.000 -0.138 0.000 1.078 1207 I HN 0.144 nan 8.210 nan 0.000 0.421 1208 R N 1.094 121.507 120.500 -0.146 0.000 2.105 1208 R HA -0.196 4.132 4.340 -0.020 0.000 0.239 1208 R C 0.923 177.156 176.300 -0.112 0.000 1.135 1208 R CA 1.951 57.972 56.100 -0.131 0.000 0.967 1208 R CB -0.050 30.157 30.300 -0.156 0.000 0.861 1208 R HN 0.328 nan 8.270 nan 0.000 0.442 1209 D N -1.033 119.315 120.400 -0.087 0.000 2.369 1209 D HA 0.120 4.748 4.640 -0.020 0.000 0.211 1209 D C -0.018 176.105 176.300 -0.295 0.000 1.077 1209 D CA 0.332 54.268 54.000 -0.106 0.000 0.842 1209 D CB 0.360 41.167 40.800 0.011 0.000 0.947 1209 D HN 0.366 nan 8.370 nan 0.000 0.509 1210 H N -0.389 118.462 119.070 -0.364 0.000 2.949 1210 H HA 0.301 4.845 4.556 -0.020 0.000 0.356 1210 H C -0.013 175.157 175.328 -0.263 0.000 1.212 1210 H CA -0.550 55.248 56.048 -0.417 0.000 1.136 1210 H CB 2.037 31.216 29.762 -0.972 0.000 1.869 1210 H HN -0.215 nan 8.280 nan 0.000 0.556 1211 E N 1.141 121.342 120.200 0.001 0.000 2.685 1211 E HA 0.124 4.462 4.350 -0.020 0.000 0.208 1211 E C -1.009 175.706 176.600 0.192 0.000 0.996 1211 E CA -0.158 56.281 56.400 0.064 0.000 1.054 1211 E CB 0.259 30.007 29.700 0.079 0.000 1.075 1211 E HN 0.338 nan 8.360 nan 0.000 0.460 1212 F N -1.009 119.006 119.950 0.107 0.000 2.678 1212 F HA 0.597 5.112 4.527 -0.020 0.000 0.308 1212 F C -1.315 174.592 175.800 0.178 0.000 1.118 1212 F CA -1.568 56.500 58.000 0.113 0.000 0.959 1212 F CB 0.875 39.943 39.000 0.114 0.000 1.305 1212 F HN -0.249 nan 8.300 nan 0.000 0.443 1213 V N -0.158 119.936 119.914 0.299 0.000 2.841 1213 V HA 0.726 4.834 4.120 -0.020 0.000 0.310 1213 V C -1.917 174.279 176.094 0.170 0.000 1.090 1213 V CA -0.476 61.870 62.300 0.077 0.000 0.930 1213 V CB 1.750 33.481 31.823 -0.153 0.000 1.014 1213 V HN 0.996 nan 8.190 nan 0.000 0.425 1214 D N 3.005 123.447 120.400 0.069 0.000 2.456 1214 D HA 0.457 5.085 4.640 -0.020 0.000 0.287 1214 D C 0.951 177.270 176.300 0.032 0.000 1.186 1214 D CA -0.373 53.681 54.000 0.089 0.000 0.916 1214 D CB 0.603 41.489 40.800 0.144 0.000 1.029 1214 D HN 0.561 nan 8.370 nan 0.000 0.498 1215 I N 1.319 121.903 120.570 0.023 0.000 2.208 1215 I HA -0.243 3.915 4.170 -0.020 0.000 0.245 1215 I C 2.332 178.558 176.117 0.181 0.000 1.097 1215 I CA 0.657 61.963 61.300 0.011 0.000 1.363 1215 I CB -0.045 37.844 38.000 -0.185 0.000 1.051 1215 I HN 0.441 nan 8.210 nan 0.000 0.413 1216 L N 0.768 122.155 121.223 0.273 0.000 1.989 1216 L HA -0.200 4.128 4.340 -0.020 0.000 0.211 1216 L C 2.578 179.551 176.870 0.172 0.000 1.071 1216 L CA 2.209 57.241 54.840 0.320 0.000 0.749 1216 L CB -0.985 41.243 42.059 0.282 0.000 0.890 1216 L HN 0.307 nan 8.230 nan 0.000 0.431 1217 G N -0.036 108.836 108.800 0.121 0.000 2.440 1217 G HA2 -0.340 3.608 3.960 -0.020 0.000 0.218 1217 G HA3 -0.340 3.608 3.960 -0.020 0.000 0.218 1217 G C 1.495 176.430 174.900 0.058 0.000 1.154 1217 G CA 0.981 46.134 45.100 0.087 0.000 0.767 1217 G HN 0.349 nan 8.290 nan 0.000 0.552 1218 L N 1.057 122.294 121.223 0.022 0.000 1.956 1218 L HA -0.108 4.220 4.340 -0.020 0.000 0.216 1218 L C 2.973 179.761 176.870 -0.136 0.000 1.073 1218 L CA 1.972 56.745 54.840 -0.112 0.000 0.762 1218 L CB -0.984 40.982 42.059 -0.155 0.000 0.889 1218 L HN 0.105 nan 8.230 nan 0.000 0.433 1219 V N -0.803 119.103 119.914 -0.013 0.000 2.392 1219 V HA -0.283 3.825 4.120 -0.020 0.000 0.249 1219 V C 2.797 178.891 176.094 0.000 0.000 1.059 1219 V CA 1.828 64.136 62.300 0.014 0.000 1.051 1219 V CB -1.073 30.847 31.823 0.163 0.000 0.658 1219 V HN 0.654 nan 8.190 nan 0.000 0.455 1220 S N -0.400 115.316 115.700 0.026 0.000 2.356 1220 S HA -0.266 4.192 4.470 -0.020 0.000 0.223 1220 S C 2.006 176.648 174.600 0.070 0.000 1.032 1220 S CA 1.802 60.019 58.200 0.030 0.000 1.005 1220 S CB -0.487 62.738 63.200 0.041 0.000 0.867 1220 S HN 0.738 nan 8.310 nan 0.000 0.449 1221 D N 0.902 121.348 120.400 0.076 0.000 2.103 1221 D HA -0.155 4.473 4.640 -0.020 0.000 0.190 1221 D C 2.070 178.502 176.300 0.219 0.000 0.997 1221 D CA 1.612 55.709 54.000 0.160 0.000 0.833 1221 D CB -0.416 40.450 40.800 0.110 0.000 0.961 1221 D HN 0.450 nan 8.370 nan 0.000 0.447 1222 M N -0.268 119.350 119.600 0.031 0.000 2.108 1222 M HA -0.145 4.323 4.480 -0.020 0.000 0.261 1222 M C 2.465 178.863 176.300 0.165 0.000 1.066 1222 M CA 1.362 56.686 55.300 0.040 0.000 1.107 1222 M CB -0.177 32.338 32.600 -0.142 0.000 1.356 1222 M HN -0.046 nan 8.290 nan 0.000 0.406 1223 R N -0.661 119.911 120.500 0.120 0.000 2.237 1223 R HA -0.025 4.303 4.340 -0.020 0.000 0.219 1223 R C 2.028 178.495 176.300 0.279 0.000 1.080 1223 R CA 0.922 57.106 56.100 0.140 0.000 0.995 1223 R CB -0.162 30.169 30.300 0.052 0.000 0.875 1223 R HN 0.261 nan 8.270 nan 0.000 0.462 1224 S N -0.583 115.288 115.700 0.285 0.000 2.522 1224 S HA -0.026 4.432 4.470 -0.020 0.000 0.227 1224 S C 0.746 175.523 174.600 0.296 0.000 0.986 1224 S CA 0.717 59.047 58.200 0.216 0.000 0.929 1224 S CB 0.074 63.327 63.200 0.089 0.000 0.769 1224 S HN 0.376 nan 8.310 nan 0.000 0.529 1225 Y N 0.429 120.966 120.300 0.395 0.000 2.535 1225 Y HA 0.392 4.931 4.550 -0.018 0.000 0.266 1225 Y C 1.015 176.953 175.900 0.063 0.000 1.088 1225 Y CA -0.138 58.142 58.100 0.300 0.000 1.285 1225 Y CB 0.579 39.152 38.460 0.188 0.000 1.166 1225 Y HN -0.043 nan 8.280 nan 0.000 0.525 1226 R N 0.915 121.456 120.500 0.068 0.000 2.561 1226 R HA 0.352 4.680 4.340 -0.020 0.000 0.266 1226 R C -1.104 175.028 176.300 -0.280 0.000 1.091 1226 R CA -0.721 55.153 56.100 -0.377 0.000 0.927 1226 R CB 1.302 31.484 30.300 -0.196 0.000 1.240 1226 R HN 0.115 nan 8.270 nan 0.000 0.449 1227 M N 1.847 121.163 119.600 -0.474 0.000 2.240 1227 M HA 0.260 4.729 4.480 -0.020 0.000 0.333 1227 M C 0.191 176.428 176.300 -0.105 0.000 1.110 1227 M CA 0.471 55.675 55.300 -0.161 0.000 1.173 1227 M CB 1.074 33.587 32.600 -0.145 0.000 1.458 1227 M HN 0.759 nan 8.290 nan 0.000 0.458 1228 S N -0.473 115.195 115.700 -0.053 0.000 3.146 1228 S HA -0.113 4.345 4.470 -0.020 0.000 0.285 1228 S C 0.263 174.849 174.600 -0.024 0.000 1.293 1228 S CA 1.001 59.174 58.200 -0.045 0.000 1.137 1228 S CB -1.492 61.676 63.200 -0.054 0.000 1.357 1228 S HN 0.802 nan 8.310 nan 0.000 0.678 1229 M N 1.438 121.020 119.600 -0.031 0.000 2.409 1229 M HA 0.053 4.521 4.480 -0.020 0.000 0.376 1229 M C 0.936 177.258 176.300 0.036 0.000 1.631 1229 M CA 0.996 56.286 55.300 -0.017 0.000 0.987 1229 M CB -1.003 31.580 32.600 -0.028 0.000 2.090 1229 M HN 0.433 nan 8.290 nan 0.000 0.474 1230 V N 3.671 123.629 119.914 0.074 0.000 4.700 1230 V HA -0.242 3.866 4.120 -0.020 0.000 0.388 1230 V C 1.298 177.542 176.094 0.251 0.000 0.654 1230 V CA 0.913 63.321 62.300 0.179 0.000 1.587 1230 V CB -1.576 30.401 31.823 0.257 0.000 1.932 1230 V HN 1.010 nan 8.190 nan 0.000 0.480 1231 Q N 1.280 121.185 119.800 0.174 0.000 2.119 1231 Q HA -0.093 4.235 4.340 -0.020 0.000 0.201 1231 Q C 1.176 177.370 176.000 0.322 0.000 0.972 1231 Q CA 1.766 57.686 55.803 0.196 0.000 0.847 1231 Q CB 0.351 29.123 28.738 0.055 0.000 0.903 1231 Q HN 1.042 nan 8.270 nan 0.000 0.433 1232 T N -3.556 111.075 114.554 0.128 0.000 2.912 1232 T HA 0.203 4.541 4.350 -0.020 0.000 0.288 1232 T C 0.437 174.711 174.700 -0.710 0.000 1.030 1232 T CA -0.715 61.291 62.100 -0.156 0.000 1.020 1232 T CB 1.728 70.536 68.868 -0.099 0.000 1.056 1232 T HN 0.222 nan 8.240 nan 0.000 0.480 1233 E N 0.497 120.016 120.200 -1.135 0.000 2.267 1233 E HA -0.190 4.148 4.350 -0.020 0.000 0.197 1233 E C 1.480 177.793 176.600 -0.477 0.000 0.998 1233 E CA 1.285 57.008 56.400 -1.129 0.000 0.830 1233 E CB 0.046 29.338 29.700 -0.680 0.000 0.751 1233 E HN 0.803 nan 8.360 nan 0.000 0.491 1234 E N 0.191 120.205 120.200 -0.309 0.000 2.072 1234 E HA -0.198 4.140 4.350 -0.020 0.000 0.190 1234 E C 2.192 178.754 176.600 -0.063 0.000 0.982 1234 E CA 0.985 57.281 56.400 -0.173 0.000 0.803 1234 E CB -0.074 29.553 29.700 -0.120 0.000 0.755 1234 E HN 0.409 nan 8.360 nan 0.000 0.453 1235 Q N 0.006 119.809 119.800 0.006 0.000 2.079 1235 Q HA -0.182 4.146 4.340 -0.020 0.000 0.200 1235 Q C 1.987 178.116 176.000 0.216 0.000 0.974 1235 Q CA 1.292 57.215 55.803 0.199 0.000 0.840 1235 Q CB -0.274 28.605 28.738 0.235 0.000 0.898 1235 Q HN 0.293 nan 8.270 nan 0.000 0.430 1236 Y N 1.205 121.486 120.300 -0.031 0.000 2.181 1236 Y HA -0.193 4.345 4.550 -0.019 0.000 0.288 1236 Y C 1.754 177.578 175.900 -0.126 0.000 1.146 1236 Y CA 1.294 59.406 58.100 0.020 0.000 1.164 1236 Y CB -0.025 38.445 38.460 0.017 0.000 0.982 1236 Y HN 0.032 nan 8.280 nan 0.000 0.515 1237 I N -1.456 118.864 120.570 -0.417 0.000 2.500 1237 I HA -0.227 3.931 4.170 -0.020 0.000 0.252 1237 I C 2.052 178.003 176.117 -0.276 0.000 1.142 1237 I CA 0.825 61.642 61.300 -0.805 0.000 1.451 1237 I CB -0.502 36.983 38.000 -0.859 0.000 1.093 1237 I HN 0.175 nan 8.210 nan 0.000 0.430 1238 F N 2.106 121.927 119.950 -0.215 0.000 2.216 1238 F HA -0.169 4.345 4.527 -0.020 0.000 0.300 1238 F C 2.154 177.931 175.800 -0.037 0.000 1.085 1238 F CA 1.394 59.329 58.000 -0.109 0.000 1.326 1238 F CB -0.303 38.645 39.000 -0.086 0.000 1.027 1238 F HN -0.070 nan 8.300 nan 0.000 0.497 1239 I N -0.470 120.045 120.570 -0.092 0.000 2.252 1239 I HA -0.327 3.831 4.170 -0.020 0.000 0.245 1239 I C 2.416 178.484 176.117 -0.082 0.000 1.102 1239 I CA 1.459 62.663 61.300 -0.160 0.000 1.385 1239 I CB -0.776 37.209 38.000 -0.025 0.000 1.064 1239 I HN 0.217 nan 8.210 nan 0.000 0.414 1240 H N 0.054 119.050 119.070 -0.124 0.000 2.389 1240 H HA -0.183 4.361 4.556 -0.020 0.000 0.299 1240 H C 2.179 177.581 175.328 0.122 0.000 1.081 1240 H CA 1.199 57.337 56.048 0.150 0.000 1.345 1240 H CB -0.003 29.880 29.762 0.201 0.000 1.393 1240 H HN 0.456 nan 8.280 nan 0.000 0.520 1241 Q N 0.899 120.751 119.800 0.088 0.000 2.084 1241 Q HA -0.147 4.182 4.340 -0.020 0.000 0.202 1241 Q C 2.330 178.278 176.000 -0.087 0.000 0.978 1241 Q CA 1.746 57.562 55.803 0.021 0.000 0.844 1241 Q CB -0.063 28.681 28.738 0.010 0.000 0.898 1241 Q HN 0.388 nan 8.270 nan 0.000 0.426 1242 C N -0.237 118.884 119.300 -0.300 0.000 2.435 1242 C HA -0.028 4.420 4.460 -0.020 0.000 0.279 1242 C C 2.373 177.236 174.990 -0.211 0.000 1.321 1242 C CA 0.298 59.117 59.018 -0.331 0.000 1.752 1242 C CB -0.617 26.796 27.740 -0.544 0.000 1.959 1242 C HN 0.407 nan 8.230 nan 0.000 0.500 1243 V N 1.498 121.301 119.914 -0.185 0.000 3.284 1243 V HA -0.154 3.954 4.120 -0.020 0.000 0.273 1243 V C 1.826 177.784 176.094 -0.227 0.000 1.178 1243 V CA 1.340 63.466 62.300 -0.291 0.000 1.177 1243 V CB -0.871 30.616 31.823 -0.560 0.000 0.793 1243 V HN 0.623 nan 8.190 nan 0.000 0.536 1244 Q N -0.189 119.570 119.800 -0.069 0.000 2.362 1244 Q HA 0.118 4.446 4.340 -0.020 0.000 0.215 1244 Q C 1.598 177.560 176.000 -0.063 0.000 0.944 1244 Q CA 0.421 56.218 55.803 -0.009 0.000 0.964 1244 Q CB -0.169 28.589 28.738 0.033 0.000 0.998 1244 Q HN 0.602 nan 8.270 nan 0.000 0.488 1245 L N -0.729 120.420 121.223 -0.125 0.000 2.622 1245 L HA -0.043 4.285 4.340 -0.020 0.000 0.233 1245 L C 2.119 178.927 176.870 -0.103 0.000 1.156 1245 L CA 0.251 55.019 54.840 -0.121 0.000 0.866 1245 L CB -0.320 41.644 42.059 -0.159 0.000 0.980 1245 L HN 0.256 nan 8.230 nan 0.000 0.448 1246 M N -0.154 119.388 119.600 -0.096 0.000 2.193 1246 M HA -0.203 4.265 4.480 -0.020 0.000 0.265 1246 M C 2.750 179.032 176.300 -0.030 0.000 1.071 1246 M CA 2.113 57.374 55.300 -0.065 0.000 1.140 1246 M CB -0.759 31.814 32.600 -0.045 0.000 1.369 1246 M HN 0.494 nan 8.290 nan 0.000 0.423 1247 W N 0.796 122.089 121.300 -0.013 0.000 2.304 1247 W HA -0.300 4.348 4.660 -0.020 0.000 0.315 1247 W C 2.021 178.531 176.519 -0.015 0.000 1.233 1247 W CA 1.952 59.296 57.345 -0.001 0.000 1.261 1247 W CB -1.579 27.885 29.460 0.006 0.000 1.150 1247 W HN 0.449 nan 8.180 nan 0.000 0.494 1248 Q N -0.628 119.155 119.800 -0.029 0.000 2.119 1248 Q HA -0.170 4.158 4.340 -0.020 0.000 0.201 1248 Q C 2.252 178.229 176.000 -0.039 0.000 0.972 1248 Q CA 1.453 57.236 55.803 -0.034 0.000 0.847 1248 Q CB -0.420 28.291 28.738 -0.044 0.000 0.903 1248 Q HN 0.654 nan 8.270 nan 0.000 0.433 1249 K N 1.105 121.477 120.400 -0.047 0.000 2.589 1249 K HA -0.058 4.250 4.320 -0.020 0.000 0.192 1249 K C 0.184 176.764 176.600 -0.033 0.000 1.029 1249 K CA 0.514 56.772 56.287 -0.049 0.000 1.031 1249 K CB 0.255 32.718 32.500 -0.062 0.000 0.821 1249 K HN -0.024 nan 8.250 nan 0.000 0.502 1250 K N 0.773 121.159 120.400 -0.023 0.000 3.045 1250 K HA 0.131 4.439 4.320 -0.020 0.000 0.211 1250 K C -0.465 176.128 176.600 -0.012 0.000 1.141 1250 K CA -0.113 56.166 56.287 -0.013 0.000 1.036 1250 K CB 1.368 33.866 32.500 -0.003 0.000 0.851 1250 K HN 0.048 nan 8.250 nan 0.000 0.462 1251 K N 0.000 120.390 120.400 -0.017 0.000 2.780 1251 K HA 0.000 4.308 4.320 -0.020 0.000 0.191 1251 K CA 0.000 56.278 56.287 -0.015 0.000 0.838 1251 K CB 0.000 32.493 32.500 -0.011 0.000 1.064 1251 K HN 0.000 nan 8.250 nan 0.000 0.543