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_A DATA FIRST_RESID 960 DATA SEQUENCE LKKRKLTNPV QLDDFDGYIK DMAKDSDYKF SLQFEELKLI GLDIPHFAAD DATA SEQUENCE LPMNRCKNRY TNILPYDFSR VRLVSMNEEE GSDYINANYI PGYNSPQEYI DATA SEQUENCE ATQGPLPETR NDFWKMVLQQ KSQIIVMLTQ CNEKRRVKCD HYWPFTEDPI DATA SEQUENCE AYGDITVEML SEEEHTDWVY RNFRISYADE VQDVMHFNYT AWPDHGVPTA DATA SEQUENCE NAAESILQFV QMVRQKSVKS KGPMIIHCSA GVGRTGTFIA LDWLLQHIRD DATA SEQUENCE HEFVDILGLV SDMRSYRMSM VQTEEQYIFI HQCVQLMWQK KKQQ 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 960 L HA 0.000 nan 4.340 nan 0.000 0.249 960 L C 0.000 176.858 176.870 -0.020 0.000 1.165 960 L CA 0.000 54.830 54.840 -0.016 0.000 0.813 960 L CB 0.000 42.048 42.059 -0.019 0.000 0.961 961 K N 1.046 121.431 120.400 -0.026 0.000 2.527 961 K HA 0.548 4.892 4.320 0.039 0.000 0.278 961 K C 0.683 177.265 176.600 -0.030 0.000 0.981 961 K CA 0.968 57.237 56.287 -0.029 0.000 1.009 961 K CB -0.322 32.156 32.500 -0.036 0.000 0.895 961 K HN 2.000 nan 8.250 nan 0.000 0.493 962 K N -0.557 119.827 120.400 -0.026 0.000 2.612 962 K HA 0.164 4.507 4.320 0.039 0.000 0.199 962 K C 0.071 176.659 176.600 -0.020 0.000 1.520 962 K CA -0.747 55.524 56.287 -0.025 0.000 1.039 962 K CB 0.607 33.095 32.500 -0.021 0.000 1.286 962 K HN 0.236 nan 8.250 nan 0.000 0.622 963 R N 2.305 122.796 120.500 -0.016 0.000 2.393 963 R HA 0.264 4.628 4.340 0.039 0.000 0.310 963 R C -0.851 175.445 176.300 -0.007 0.000 0.968 963 R CA -0.744 55.351 56.100 -0.009 0.000 0.867 963 R CB 1.710 32.008 30.300 -0.003 0.000 1.124 963 R HN 0.006 nan 8.270 nan 0.000 0.450 964 K N 4.245 124.644 120.400 -0.001 0.000 2.315 964 K HA 0.109 4.452 4.320 0.039 0.000 0.291 964 K C -0.397 176.215 176.600 0.021 0.000 1.074 964 K CA -0.206 56.085 56.287 0.006 0.000 0.936 964 K CB 0.084 32.588 32.500 0.007 0.000 1.049 964 K HN 0.277 nan 8.250 nan 0.000 0.471 965 L N 3.757 124.995 121.223 0.026 0.000 2.455 965 L HA 0.331 4.694 4.340 0.039 0.000 0.272 965 L C 0.484 177.395 176.870 0.069 0.000 1.174 965 L CA 0.626 55.494 54.840 0.046 0.000 0.869 965 L CB 0.088 42.172 42.059 0.043 0.000 1.130 965 L HN 0.934 nan 8.230 nan 0.000 0.474 966 T N 3.436 118.039 114.554 0.082 0.000 3.168 966 T HA 0.269 4.642 4.350 0.039 0.000 0.373 966 T C -0.945 173.811 174.700 0.094 0.000 1.681 966 T CA -0.754 61.402 62.100 0.093 0.000 1.135 966 T CB 0.628 69.536 68.868 0.067 0.000 1.477 966 T HN 0.790 nan 8.240 nan 0.000 0.480 967 N N 3.976 122.742 118.700 0.111 0.000 2.884 967 N HA 0.275 5.038 4.740 0.039 0.000 0.211 967 N C -2.899 172.640 175.510 0.050 0.000 1.442 967 N CA -1.153 51.947 53.050 0.082 0.000 0.757 967 N CB 1.438 40.003 38.487 0.129 0.000 1.461 967 N HN 0.384 nan 8.380 nan 0.000 0.557 968 P HA 0.037 nan 4.420 nan 0.000 0.265 968 P C -0.516 176.811 177.300 0.044 0.000 1.222 968 P CA 0.108 63.291 63.100 0.137 0.000 0.767 968 P CB 1.205 32.929 31.700 0.040 0.000 0.801 969 V N 4.772 124.712 119.914 0.043 0.000 2.435 969 V HA 0.183 4.326 4.120 0.039 0.000 0.290 969 V C 0.677 176.862 176.094 0.152 0.000 1.030 969 V CA -0.667 61.592 62.300 -0.069 0.000 0.881 969 V CB 1.424 32.978 31.823 -0.448 0.000 0.983 969 V HN 0.484 nan 8.190 nan 0.000 0.445 970 Q N 3.209 123.087 119.800 0.131 0.000 2.274 970 Q HA 0.149 4.512 4.340 0.039 0.000 0.280 970 Q C 0.753 176.876 176.000 0.205 0.000 1.047 970 Q CA 0.456 56.369 55.803 0.183 0.000 0.907 970 Q CB 0.679 29.487 28.738 0.117 0.000 1.171 970 Q HN 0.695 nan 8.270 nan 0.000 0.381 971 L N 3.271 124.607 121.223 0.188 0.000 2.129 971 L HA -0.258 4.106 4.340 0.039 0.000 0.212 971 L C 2.036 179.024 176.870 0.196 0.000 1.087 971 L CA 1.958 56.888 54.840 0.149 0.000 0.757 971 L CB -0.854 41.245 42.059 0.066 0.000 0.896 971 L HN 0.985 nan 8.230 nan 0.000 0.434 972 D N -1.152 119.347 120.400 0.164 0.000 2.312 972 D HA -0.151 4.512 4.640 0.039 0.000 0.211 972 D C 1.444 177.849 176.300 0.176 0.000 0.964 972 D CA 1.193 55.286 54.000 0.155 0.000 0.877 972 D CB -0.141 40.726 40.800 0.111 0.000 0.924 972 D HN 0.369 nan 8.370 nan 0.000 0.515 973 D N -1.581 118.935 120.400 0.193 0.000 2.368 973 D HA 0.138 4.801 4.640 0.039 0.000 0.218 973 D C 0.910 177.359 176.300 0.249 0.000 1.112 973 D CA -0.483 53.626 54.000 0.181 0.000 0.834 973 D CB 0.078 40.959 40.800 0.136 0.000 0.953 973 D HN 0.395 nan 8.370 nan 0.000 0.505 974 F N 2.120 122.158 119.950 0.146 0.000 2.102 974 F HA -0.170 4.380 4.527 0.038 0.000 0.298 974 F C 1.826 177.738 175.800 0.187 0.000 1.105 974 F CA 1.332 59.450 58.000 0.197 0.000 1.239 974 F CB 0.197 39.291 39.000 0.157 0.000 0.991 974 F HN -0.153 nan 8.300 nan 0.000 0.474 975 D N -0.277 120.245 120.400 0.204 0.000 2.116 975 D HA -0.174 4.489 4.640 0.039 0.000 0.193 975 D C 2.434 178.736 176.300 0.003 0.000 0.998 975 D CA 1.633 55.680 54.000 0.079 0.000 0.836 975 D CB -0.971 39.896 40.800 0.112 0.000 0.951 975 D HN 0.429 nan 8.370 nan 0.000 0.449 976 G N -0.704 108.125 108.800 0.047 0.000 2.421 976 G HA2 -0.271 3.713 3.960 0.039 0.000 0.217 976 G HA3 -0.271 3.713 3.960 0.039 0.000 0.217 976 G C 1.563 176.455 174.900 -0.014 0.000 1.143 976 G CA 0.438 45.551 45.100 0.021 0.000 0.784 976 G HN 0.290 nan 8.290 nan 0.000 0.541 977 Y N 2.173 122.386 120.300 -0.145 0.000 2.184 977 Y HA -0.040 4.516 4.550 0.011 0.000 0.290 977 Y C 2.550 178.244 175.900 -0.344 0.000 1.129 977 Y CA 1.492 59.463 58.100 -0.214 0.000 1.144 977 Y CB -0.193 38.148 38.460 -0.198 0.000 0.995 977 Y HN 0.276 nan 8.280 nan 0.000 0.513 978 I N -1.252 118.988 120.570 -0.551 0.000 2.546 978 I HA -0.133 4.060 4.170 0.039 0.000 0.255 978 I C 2.344 178.237 176.117 -0.373 0.000 1.163 978 I CA 1.490 62.444 61.300 -0.577 0.000 1.457 978 I CB -0.630 37.133 38.000 -0.395 0.000 1.092 978 I HN 0.121 nan 8.210 nan 0.000 0.434 979 K N 1.796 122.043 120.400 -0.256 0.000 2.001 979 K HA -0.278 4.065 4.320 0.039 0.000 0.208 979 K C 1.801 178.281 176.600 -0.201 0.000 1.048 979 K CA 2.429 58.620 56.287 -0.159 0.000 0.932 979 K CB -0.274 32.170 32.500 -0.094 0.000 0.715 979 K HN 0.346 nan 8.250 nan 0.000 0.437 980 D N 0.011 120.262 120.400 -0.249 0.000 2.144 980 D HA -0.144 4.520 4.640 0.039 0.000 0.199 980 D C 1.882 177.966 176.300 -0.360 0.000 0.984 980 D CA 1.167 55.022 54.000 -0.241 0.000 0.834 980 D CB 0.140 40.819 40.800 -0.201 0.000 0.955 980 D HN 0.172 nan 8.370 nan 0.000 0.465 981 M N -0.055 119.145 119.600 -0.666 0.000 2.394 981 M HA 0.076 4.579 4.480 0.039 0.000 0.264 981 M C 2.004 177.917 176.300 -0.645 0.000 1.073 981 M CA 0.709 55.408 55.300 -1.001 0.000 1.111 981 M CB -0.709 30.637 32.600 -2.090 0.000 1.401 981 M HN 0.144 nan 8.290 nan 0.000 0.448 982 A N -0.090 122.564 122.820 -0.278 0.000 2.195 982 A HA 0.045 4.388 4.320 0.039 0.000 0.210 982 A C 1.051 178.642 177.584 0.011 0.000 1.165 982 A CA 0.015 52.070 52.037 0.031 0.000 0.806 982 A CB -0.066 18.975 19.000 0.069 0.000 0.847 982 A HN 0.329 nan 8.150 nan 0.000 0.482 983 K N 0.991 121.365 120.400 -0.043 0.000 2.440 983 K HA 0.146 4.489 4.320 0.039 0.000 0.270 983 K C -0.667 175.957 176.600 0.039 0.000 0.980 983 K CA 0.384 56.665 56.287 -0.010 0.000 0.953 983 K CB 0.055 32.538 32.500 -0.029 0.000 0.925 983 K HN 0.217 nan 8.250 nan 0.000 0.497 984 D N 0.981 121.392 120.400 0.018 0.000 2.705 984 D HA -0.145 4.518 4.640 0.039 0.000 0.240 984 D C -0.932 175.405 176.300 0.063 0.000 1.137 984 D CA 1.135 55.143 54.000 0.012 0.000 0.677 984 D CB -1.518 39.257 40.800 -0.041 0.000 1.049 984 D HN 0.595 nan 8.370 nan 0.000 0.427 985 S N 0.338 116.069 115.700 0.052 0.000 3.484 985 S HA -0.205 4.288 4.470 0.039 0.000 0.384 985 S C 0.046 174.713 174.600 0.111 0.000 0.932 985 S CA 0.600 58.839 58.200 0.064 0.000 1.293 985 S CB -0.536 62.694 63.200 0.049 0.000 0.919 985 S HN 0.539 nan 8.310 nan 0.000 0.540 986 D N -1.479 119.000 120.400 0.133 0.000 2.689 986 D HA -0.223 4.440 4.640 0.039 0.000 0.237 986 D C 0.365 176.787 176.300 0.204 0.000 1.148 986 D CA 1.211 55.334 54.000 0.205 0.000 0.656 986 D CB -1.186 39.733 40.800 0.199 0.000 1.050 986 D HN 0.712 nan 8.370 nan 0.000 0.426 987 Y N 0.869 121.189 120.300 0.034 0.000 2.070 987 Y HA -0.188 4.388 4.550 0.043 0.000 0.279 987 Y C 2.178 178.093 175.900 0.025 0.000 1.134 987 Y CA 2.135 60.249 58.100 0.023 0.000 1.113 987 Y CB -0.065 38.390 38.460 -0.008 0.000 0.981 987 Y HN 0.045 nan 8.280 nan 0.000 0.487 988 K N -1.019 119.265 120.400 -0.192 0.000 2.148 988 K HA -0.148 4.195 4.320 0.039 0.000 0.204 988 K C 1.931 178.439 176.600 -0.153 0.000 1.050 988 K CA 1.365 57.465 56.287 -0.311 0.000 0.942 988 K CB -0.433 31.891 32.500 -0.295 0.000 0.724 988 K HN 0.209 nan 8.250 nan 0.000 0.446 989 F N 1.311 121.213 119.950 -0.080 0.000 2.202 989 F HA -0.213 4.347 4.527 0.054 0.000 0.301 989 F C 2.389 178.264 175.800 0.126 0.000 1.082 989 F CA 1.156 59.169 58.000 0.023 0.000 1.313 989 F CB -0.336 38.632 39.000 -0.054 0.000 1.024 989 F HN -0.057 nan 8.300 nan 0.000 0.495 990 S N -0.215 115.615 115.700 0.217 0.000 2.362 990 S HA -0.100 4.393 4.470 0.039 0.000 0.221 990 S C 1.983 176.633 174.600 0.083 0.000 1.032 990 S CA 0.563 58.861 58.200 0.163 0.000 0.973 990 S CB -0.497 62.760 63.200 0.096 0.000 0.849 990 S HN 0.111 nan 8.310 nan 0.000 0.465 991 L N 2.150 123.325 121.223 -0.081 0.000 2.013 991 L HA -0.172 4.191 4.340 0.039 0.000 0.212 991 L C 2.558 179.422 176.870 -0.011 0.000 1.073 991 L CA 1.758 56.529 54.840 -0.115 0.000 0.753 991 L CB -0.982 40.918 42.059 -0.264 0.000 0.890 991 L HN 0.351 nan 8.230 nan 0.000 0.432 992 Q N -2.293 117.545 119.800 0.064 0.000 2.079 992 Q HA -0.207 4.157 4.340 0.039 0.000 0.200 992 Q C 2.268 178.287 176.000 0.032 0.000 0.974 992 Q CA 1.471 57.336 55.803 0.104 0.000 0.840 992 Q CB -0.283 28.620 28.738 0.275 0.000 0.898 992 Q HN 0.363 nan 8.270 nan 0.000 0.430 993 F N 1.964 121.877 119.950 -0.060 0.000 2.146 993 F HA -0.164 4.383 4.527 0.033 0.000 0.298 993 F C 2.186 177.931 175.800 -0.091 0.000 1.096 993 F CA 1.191 59.089 58.000 -0.169 0.000 1.275 993 F CB 0.112 39.069 39.000 -0.072 0.000 1.008 993 F HN -0.006 nan 8.300 nan 0.000 0.480 994 E N 0.381 120.580 120.200 -0.001 0.000 2.110 994 E HA -0.213 4.161 4.350 0.039 0.000 0.193 994 E C 2.092 178.617 176.600 -0.125 0.000 0.988 994 E CA 1.457 57.824 56.400 -0.055 0.000 0.804 994 E CB -0.343 29.363 29.700 0.010 0.000 0.745 994 E HN 0.607 nan 8.360 nan 0.000 0.458 995 E N -0.022 120.111 120.200 -0.112 0.000 2.158 995 E HA -0.096 4.277 4.350 0.039 0.000 0.191 995 E C 1.937 178.444 176.600 -0.156 0.000 0.982 995 E CA 0.066 56.405 56.400 -0.102 0.000 0.823 995 E CB 0.059 29.725 29.700 -0.057 0.000 0.766 995 E HN 0.051 nan 8.360 nan 0.000 0.468 996 L N 1.520 122.587 121.223 -0.260 0.000 2.131 996 L HA -0.164 4.199 4.340 0.039 0.000 0.210 996 L C 1.787 178.462 176.870 -0.325 0.000 1.092 996 L CA 1.720 56.368 54.840 -0.320 0.000 0.759 996 L CB -0.380 41.345 42.059 -0.557 0.000 0.903 996 L HN -0.025 nan 8.230 nan 0.000 0.435 997 K N -1.061 119.105 120.400 -0.390 0.000 2.439 997 K HA -0.049 4.294 4.320 0.039 0.000 0.197 997 K C 1.880 178.398 176.600 -0.136 0.000 1.041 997 K CA 0.534 56.655 56.287 -0.278 0.000 0.970 997 K CB -0.013 32.328 32.500 -0.266 0.000 0.773 997 K HN 0.308 nan 8.250 nan 0.000 0.479 998 L N 0.794 121.948 121.223 -0.114 0.000 2.249 998 L HA 0.087 4.450 4.340 0.039 0.000 0.207 998 L C 0.925 177.766 176.870 -0.049 0.000 1.090 998 L CA -0.053 54.748 54.840 -0.065 0.000 0.802 998 L CB -0.182 41.843 42.059 -0.056 0.000 0.947 998 L HN 0.091 nan 8.230 nan 0.000 0.453 999 I N 0.982 121.518 120.570 -0.057 0.000 3.017 999 I HA -0.167 4.026 4.170 0.039 0.000 0.310 999 I C 1.654 177.764 176.117 -0.011 0.000 1.220 999 I CA 1.082 62.359 61.300 -0.038 0.000 1.450 999 I CB -0.051 37.933 38.000 -0.026 0.000 1.317 999 I HN 0.406 nan 8.210 nan 0.000 0.570 1000 G N 5.000 113.763 108.800 -0.063 0.000 2.219 1000 G HA2 -0.325 3.658 3.960 0.039 0.000 0.271 1000 G HA3 -0.325 3.658 3.960 0.039 0.000 0.271 1000 G C 0.956 175.841 174.900 -0.025 0.000 0.991 1000 G CA 0.710 45.733 45.100 -0.128 0.000 0.685 1000 G HN 0.678 nan 8.290 nan 0.000 0.531 1001 L N -0.516 120.715 121.223 0.013 0.000 2.187 1001 L HA -0.028 4.336 4.340 0.039 0.000 0.213 1001 L C 1.113 178.007 176.870 0.040 0.000 1.100 1001 L CA 1.568 56.438 54.840 0.049 0.000 0.765 1001 L CB -0.048 42.024 42.059 0.021 0.000 0.904 1001 L HN 0.115 nan 8.230 nan 0.000 0.437 1002 D N -0.157 120.231 120.400 -0.020 0.000 3.058 1002 D HA 0.335 4.998 4.640 0.039 0.000 0.272 1002 D C -0.108 176.143 176.300 -0.082 0.000 1.350 1002 D CA 0.189 54.169 54.000 -0.034 0.000 0.863 1002 D CB 0.283 41.060 40.800 -0.038 0.000 1.064 1002 D HN 0.137 nan 8.370 nan 0.000 0.488 1003 I N 1.270 121.787 120.570 -0.089 0.000 2.404 1003 I HA 0.275 4.469 4.170 0.039 0.000 0.293 1003 I C -2.129 173.966 176.117 -0.037 0.000 0.992 1003 I CA -2.241 58.962 61.300 -0.160 0.000 1.149 1003 I CB 1.963 39.652 38.000 -0.519 0.000 1.315 1003 I HN -0.298 nan 8.210 nan 0.000 0.446 1004 P HA 0.044 nan 4.420 nan 0.000 0.267 1004 P C -0.500 176.696 177.300 -0.174 0.000 1.200 1004 P CA 0.272 63.123 63.100 -0.416 0.000 0.772 1004 P CB 0.252 31.762 31.700 -0.316 0.000 0.855 1005 H N 0.647 119.471 119.070 -0.409 0.000 3.345 1005 H HA 0.190 4.769 4.556 0.038 0.000 0.215 1005 H C -0.059 175.189 175.328 -0.133 0.000 1.368 1005 H CA -0.238 55.741 56.048 -0.114 0.000 1.211 1005 H CB -0.986 28.781 29.762 0.007 0.000 2.467 1005 H HN 0.152 nan 8.280 nan 0.000 0.530 1006 F N 2.289 122.256 119.950 0.029 0.000 2.134 1006 F HA -0.079 4.472 4.527 0.040 0.000 0.299 1006 F C 2.893 178.708 175.800 0.025 0.000 1.097 1006 F CA 1.587 59.586 58.000 -0.001 0.000 1.264 1006 F CB -0.619 38.374 39.000 -0.011 0.000 1.001 1006 F HN 0.473 nan 8.300 nan 0.000 0.479 1007 A N 0.419 123.384 122.820 0.242 0.000 1.903 1007 A HA -0.211 4.132 4.320 0.039 0.000 0.219 1007 A C 2.425 179.942 177.584 -0.111 0.000 1.191 1007 A CA 2.310 54.421 52.037 0.124 0.000 0.638 1007 A CB -1.441 17.711 19.000 0.253 0.000 0.823 1007 A HN 0.338 nan 8.150 nan 0.000 0.451 1008 A N -0.918 121.919 122.820 0.029 0.000 2.125 1008 A HA -0.107 4.236 4.320 0.039 0.000 0.219 1008 A C 1.444 178.972 177.584 -0.093 0.000 1.156 1008 A CA 1.673 53.646 52.037 -0.107 0.000 0.671 1008 A CB -0.349 18.774 19.000 0.205 0.000 0.794 1008 A HN 0.496 nan 8.150 nan 0.000 0.459 1009 D N -0.670 119.743 120.400 0.022 0.000 2.360 1009 D HA 0.166 4.829 4.640 0.039 0.000 0.210 1009 D C 0.229 176.524 176.300 -0.009 0.000 1.047 1009 D CA -0.021 54.006 54.000 0.044 0.000 0.854 1009 D CB 0.002 40.878 40.800 0.127 0.000 0.936 1009 D HN 0.367 nan 8.370 nan 0.000 0.514 1010 L N 1.786 122.970 121.223 -0.064 0.000 2.540 1010 L HA 0.016 4.379 4.340 0.039 0.000 0.276 1010 L C -1.054 175.771 176.870 -0.075 0.000 1.212 1010 L CA -1.033 53.769 54.840 -0.064 0.000 0.893 1010 L CB 0.324 42.330 42.059 -0.088 0.000 1.138 1010 L HN -0.203 nan 8.230 nan 0.000 0.491 1011 P HA -0.254 nan 4.420 nan 0.000 0.220 1011 P C 1.404 178.680 177.300 -0.040 0.000 1.155 1011 P CA 1.860 64.942 63.100 -0.030 0.000 0.880 1011 P CB 0.091 31.781 31.700 -0.018 0.000 0.790 1012 M N -2.585 116.986 119.600 -0.048 0.000 2.541 1012 M HA 0.016 4.519 4.480 0.039 0.000 0.252 1012 M C 1.027 177.289 176.300 -0.063 0.000 1.125 1012 M CA 0.756 56.032 55.300 -0.040 0.000 1.091 1012 M CB -0.238 32.349 32.600 -0.022 0.000 1.420 1012 M HN -0.099 nan 8.290 nan 0.000 0.486 1013 N N 0.046 118.659 118.700 -0.145 0.000 2.422 1013 N HA 0.044 4.807 4.740 0.039 0.000 0.181 1013 N C 1.445 176.868 175.510 -0.144 0.000 1.080 1013 N CA 0.372 53.273 53.050 -0.250 0.000 0.893 1013 N CB 0.011 38.025 38.487 -0.789 0.000 0.973 1013 N HN 0.255 nan 8.380 nan 0.000 0.456 1014 R N 0.819 121.263 120.500 -0.093 0.000 2.105 1014 R HA -0.080 4.283 4.340 0.039 0.000 0.239 1014 R C 2.165 178.457 176.300 -0.013 0.000 1.135 1014 R CA 1.135 57.211 56.100 -0.040 0.000 0.967 1014 R CB -1.180 29.106 30.300 -0.024 0.000 0.861 1014 R HN 0.436 nan 8.270 nan 0.000 0.442 1015 C N -0.128 119.167 119.300 -0.010 0.000 2.491 1015 C HA 0.173 4.656 4.460 0.039 0.000 0.277 1015 C C 1.594 176.587 174.990 0.005 0.000 1.455 1015 C CA -0.273 58.742 59.018 -0.004 0.000 1.758 1015 C CB -0.605 27.134 27.740 -0.002 0.000 1.745 1015 C HN 0.246 nan 8.230 nan 0.000 0.558 1016 K N 0.946 121.369 120.400 0.038 0.000 2.374 1016 K HA 0.134 4.477 4.320 0.039 0.000 0.196 1016 K C -0.289 176.357 176.600 0.076 0.000 1.023 1016 K CA 0.140 56.473 56.287 0.077 0.000 1.103 1016 K CB -0.081 32.538 32.500 0.199 0.000 0.848 1016 K HN 0.631 nan 8.250 nan 0.000 0.528 1017 N N 1.386 120.118 118.700 0.052 0.000 2.425 1017 N HA 0.142 4.906 4.740 0.039 0.000 0.268 1017 N C 0.439 175.911 175.510 -0.065 0.000 0.991 1017 N CA -0.332 52.736 53.050 0.030 0.000 0.931 1017 N CB 1.407 39.930 38.487 0.060 0.000 1.130 1017 N HN 0.009 nan 8.380 nan 0.000 0.493 1018 R N 2.253 122.663 120.500 -0.150 0.000 2.081 1018 R HA -0.075 4.288 4.340 0.039 0.000 0.235 1018 R C -0.398 175.620 176.300 -0.470 0.000 1.131 1018 R CA 1.539 57.416 56.100 -0.370 0.000 0.960 1018 R CB 0.139 30.129 30.300 -0.518 0.000 0.856 1018 R HN 0.550 nan 8.270 nan 0.000 0.436 1019 Y N -1.463 118.820 120.300 -0.028 0.000 2.425 1019 Y HA 0.152 4.726 4.550 0.040 0.000 0.344 1019 Y C 1.066 176.954 175.900 -0.019 0.000 0.969 1019 Y CA -0.838 57.250 58.100 -0.020 0.000 1.052 1019 Y CB 2.115 40.560 38.460 -0.024 0.000 1.215 1019 Y HN -0.012 nan 8.280 nan 0.000 0.451 1020 T N -2.922 111.722 114.554 0.150 0.000 3.072 1020 T HA -0.129 4.244 4.350 0.039 0.000 0.266 1020 T C 0.589 175.319 174.700 0.051 0.000 1.127 1020 T CA 1.504 63.651 62.100 0.078 0.000 1.107 1020 T CB -0.473 68.432 68.868 0.061 0.000 0.910 1020 T HN 0.816 nan 8.240 nan 0.000 0.513 1021 N N 0.250 118.983 118.700 0.055 0.000 2.205 1021 N HA 0.190 4.953 4.740 0.039 0.000 0.201 1021 N C -0.256 175.227 175.510 -0.045 0.000 1.128 1021 N CA -0.528 52.520 53.050 -0.004 0.000 0.867 1021 N CB 0.371 38.852 38.487 -0.010 0.000 0.996 1021 N HN 0.264 nan 8.380 nan 0.000 0.503 1022 I N 2.540 123.101 120.570 -0.015 0.000 2.464 1022 I HA 0.372 4.565 4.170 0.039 0.000 0.277 1022 I C -0.728 175.343 176.117 -0.078 0.000 1.040 1022 I CA -0.437 60.830 61.300 -0.056 0.000 1.153 1022 I CB 0.869 38.873 38.000 0.007 0.000 1.274 1022 I HN 0.138 nan 8.210 nan 0.000 0.469 1023 L N 7.013 128.123 121.223 -0.188 0.000 2.301 1023 L HA 0.715 5.078 4.340 0.039 0.000 0.264 1023 L C -2.522 174.190 176.870 -0.264 0.000 1.016 1023 L CA -1.882 52.851 54.840 -0.178 0.000 0.821 1023 L CB 2.443 44.351 42.059 -0.251 0.000 1.346 1023 L HN 0.229 nan 8.230 nan 0.000 0.429 1024 P HA 0.231 nan 4.420 nan 0.000 0.290 1024 P C -1.526 175.729 177.300 -0.075 0.000 1.275 1024 P CA -0.501 62.478 63.100 -0.202 0.000 0.841 1024 P CB 0.816 32.435 31.700 -0.135 0.000 1.042 1025 Y N 0.821 121.137 120.300 0.026 0.000 2.411 1025 Y HA 0.014 4.587 4.550 0.038 0.000 0.333 1025 Y C 1.943 177.886 175.900 0.073 0.000 1.186 1025 Y CA 0.267 58.431 58.100 0.107 0.000 1.381 1025 Y CB -0.318 38.256 38.460 0.190 0.000 1.273 1025 Y HN 0.359 nan 8.280 nan 0.000 0.546 1026 D N 2.147 122.735 120.400 0.313 0.000 2.106 1026 D HA -0.260 4.404 4.640 0.039 0.000 0.191 1026 D C 2.121 178.550 176.300 0.215 0.000 0.997 1026 D CA 1.961 56.106 54.000 0.241 0.000 0.834 1026 D CB -0.562 40.387 40.800 0.248 0.000 0.956 1026 D HN 0.687 nan 8.370 nan 0.000 0.448 1027 F N 1.987 122.036 119.950 0.165 0.000 2.115 1027 F HA -0.220 4.330 4.527 0.039 0.000 0.300 1027 F C 2.106 178.029 175.800 0.204 0.000 1.092 1027 F CA 2.120 60.208 58.000 0.146 0.000 1.245 1027 F CB -0.833 38.215 39.000 0.079 0.000 0.995 1027 F HN -0.013 nan 8.300 nan 0.000 0.481 1028 S N 1.118 116.200 115.700 -1.029 0.000 2.540 1028 S HA 0.178 4.671 4.470 0.039 0.000 0.218 1028 S C 0.866 175.384 174.600 -0.136 0.000 0.977 1028 S CA -0.598 57.218 58.200 -0.639 0.000 0.918 1028 S CB -0.616 62.017 63.200 -0.946 0.000 0.806 1028 S HN 0.672 nan 8.310 nan 0.000 0.496 1029 R N 0.898 121.335 120.500 -0.105 0.000 2.784 1029 R HA 0.377 4.740 4.340 0.039 0.000 0.266 1029 R C -0.821 175.412 176.300 -0.112 0.000 1.044 1029 R CA -0.461 55.573 56.100 -0.110 0.000 1.151 1029 R CB 0.163 30.430 30.300 -0.055 0.000 1.037 1029 R HN 0.056 nan 8.270 nan 0.000 0.478 1030 V N 2.754 122.491 119.914 -0.296 0.000 2.407 1030 V HA 0.313 4.456 4.120 0.039 0.000 0.278 1030 V C 0.477 176.477 176.094 -0.157 0.000 1.037 1030 V CA -0.622 61.471 62.300 -0.346 0.000 0.900 1030 V CB 0.998 32.490 31.823 -0.552 0.000 0.983 1030 V HN 0.703 nan 8.190 nan 0.000 0.459 1031 R N 4.405 124.891 120.500 -0.024 0.000 2.407 1031 R HA 0.626 4.990 4.340 0.039 0.000 0.303 1031 R C -0.943 175.347 176.300 -0.015 0.000 0.981 1031 R CA -0.713 55.384 56.100 -0.004 0.000 0.905 1031 R CB 1.525 31.858 30.300 0.056 0.000 1.099 1031 R HN 0.578 nan 8.270 nan 0.000 0.459 1032 L N 2.632 123.839 121.223 -0.027 0.000 2.371 1032 L HA 0.331 4.695 4.340 0.039 0.000 0.272 1032 L C -0.079 176.787 176.870 -0.006 0.000 1.124 1032 L CA -0.769 54.052 54.840 -0.032 0.000 0.816 1032 L CB 1.251 43.288 42.059 -0.036 0.000 1.129 1032 L HN 0.252 nan 8.230 nan 0.000 0.448 1033 V N 2.227 122.133 119.914 -0.014 0.000 2.472 1033 V HA 0.691 4.834 4.120 0.039 0.000 0.290 1033 V C 0.060 176.145 176.094 -0.015 0.000 1.037 1033 V CA -0.093 62.205 62.300 -0.004 0.000 0.908 1033 V CB 1.567 33.389 31.823 -0.002 0.000 0.985 1033 V HN 1.003 nan 8.190 nan 0.000 0.454 1034 S N 4.002 119.702 115.700 -0.001 0.000 2.633 1034 S HA 0.381 4.874 4.470 0.039 0.000 0.271 1034 S C -0.198 174.409 174.600 0.013 0.000 1.112 1034 S CA -0.693 57.505 58.200 -0.002 0.000 0.828 1034 S CB 1.224 64.420 63.200 -0.006 0.000 1.086 1034 S HN 0.317 nan 8.310 nan 0.000 0.461 1035 M N 1.837 121.446 119.600 0.016 0.000 2.349 1035 M HA 0.290 4.793 4.480 0.039 0.000 0.266 1035 M C 0.366 176.679 176.300 0.021 0.000 1.076 1035 M CA 0.570 55.883 55.300 0.021 0.000 1.126 1035 M CB -0.907 31.708 32.600 0.026 0.000 1.392 1035 M HN 0.693 nan 8.290 nan 0.000 0.440 1036 N N 2.239 120.952 118.700 0.021 0.000 2.217 1036 N HA -0.035 4.728 4.740 0.039 0.000 0.268 1036 N C 0.598 176.121 175.510 0.023 0.000 1.290 1036 N CA 0.955 54.018 53.050 0.022 0.000 0.831 1036 N CB 0.398 38.899 38.487 0.023 0.000 1.057 1036 N HN 0.458 nan 8.380 nan 0.000 0.481 1037 E N 1.469 121.681 120.200 0.021 0.000 2.437 1037 E HA 0.013 4.386 4.350 0.039 0.000 0.195 1037 E C 0.430 177.041 176.600 0.020 0.000 1.029 1037 E CA -0.296 56.116 56.400 0.021 0.000 0.948 1037 E CB -0.448 nan 29.700 nan 0.000 1.082 1037 E HN 0.776 nan 8.360 nan 0.000 0.456 1038 E N -0.825 119.387 120.200 0.021 0.000 2.250 1038 E HA 0.388 4.761 4.350 0.039 0.000 0.265 1038 E C -0.142 176.470 176.600 0.021 0.000 1.033 1038 E CA -0.828 55.583 56.400 0.018 0.000 0.888 1038 E CB 0.931 30.641 29.700 0.017 0.000 1.151 1038 E HN 0.170 nan 8.360 nan 0.000 0.412 1039 E N 0.156 120.365 120.200 0.014 0.000 2.558 1039 E HA -0.011 4.362 4.350 0.039 0.000 0.255 1039 E C 0.555 177.164 176.600 0.014 0.000 0.968 1039 E CA 1.116 57.522 56.400 0.010 0.000 0.939 1039 E CB -0.193 29.506 29.700 -0.002 0.000 0.921 1039 E HN 0.841 nan 8.360 nan 0.000 0.477 1040 G N 3.363 112.177 108.800 0.023 0.000 2.168 1040 G HA2 -0.406 3.577 3.960 0.039 0.000 0.263 1040 G HA3 -0.406 3.577 3.960 0.039 0.000 0.263 1040 G C 0.938 175.898 174.900 0.099 0.000 0.977 1040 G CA 0.846 45.974 45.100 0.048 0.000 0.659 1040 G HN 0.633 nan 8.290 nan 0.000 0.533 1041 S N 0.674 116.415 115.700 0.068 0.000 2.440 1041 S HA -0.182 4.311 4.470 0.039 0.000 0.240 1041 S C 1.876 176.517 174.600 0.069 0.000 1.014 1041 S CA 2.172 60.409 58.200 0.061 0.000 0.980 1041 S CB -0.244 62.981 63.200 0.042 0.000 0.775 1041 S HN 0.863 nan 8.310 nan 0.000 0.499 1042 D N -1.210 119.243 120.400 0.090 0.000 2.363 1042 D HA 0.049 4.712 4.640 0.039 0.000 0.214 1042 D C 0.172 176.527 176.300 0.092 0.000 1.093 1042 D CA -0.496 53.547 54.000 0.073 0.000 0.837 1042 D CB -0.705 40.136 40.800 0.068 0.000 0.948 1042 D HN 0.520 nan 8.370 nan 0.000 0.507 1043 Y N 1.011 121.310 120.300 -0.003 0.000 2.309 1043 Y HA 0.471 5.044 4.550 0.038 0.000 0.327 1043 Y C -0.375 175.506 175.900 -0.032 0.000 1.172 1043 Y CA -0.469 57.624 58.100 -0.011 0.000 1.280 1043 Y CB 0.627 39.087 38.460 0.001 0.000 1.234 1043 Y HN -0.012 nan 8.280 nan 0.000 0.512 1044 I N 5.985 126.036 120.570 -0.866 0.000 2.715 1044 I HA 0.112 4.305 4.170 0.039 0.000 0.288 1044 I C -1.310 174.278 176.117 -0.881 0.000 1.371 1044 I CA -0.663 60.244 61.300 -0.655 0.000 1.056 1044 I CB 1.198 39.003 38.000 -0.324 0.000 1.339 1044 I HN 0.655 nan 8.210 nan 0.000 0.425 1045 N N 6.560 124.878 118.700 -0.637 0.000 2.484 1045 N HA 0.313 5.076 4.740 0.039 0.000 0.295 1045 N C -0.959 174.361 175.510 -0.316 0.000 1.240 1045 N CA 0.567 53.372 53.050 -0.408 0.000 1.085 1045 N CB 0.116 38.501 38.487 -0.171 0.000 1.465 1045 N HN 0.623 nan 8.380 nan 0.000 0.496 1046 A N 3.102 125.717 122.820 -0.341 0.000 2.574 1046 A HA 0.588 4.931 4.320 0.039 0.000 0.297 1046 A C -1.183 176.224 177.584 -0.295 0.000 1.062 1046 A CA -0.897 50.968 52.037 -0.287 0.000 0.686 1046 A CB 1.154 19.975 19.000 -0.299 0.000 1.285 1046 A HN 0.611 nan 8.150 nan 0.000 0.403 1047 N N -0.107 118.442 118.700 -0.251 0.000 2.225 1047 N HA 0.582 5.346 4.740 0.039 0.000 0.298 1047 N C -1.592 173.816 175.510 -0.170 0.000 1.076 1047 N CA -0.433 52.492 53.050 -0.208 0.000 0.792 1047 N CB 1.265 39.688 38.487 -0.108 0.000 1.498 1047 N HN 0.569 nan 8.380 nan 0.000 0.474 1048 Y N 1.109 121.398 120.300 -0.018 0.000 2.346 1048 Y HA 0.292 4.864 4.550 0.038 0.000 0.330 1048 Y C 0.192 176.113 175.900 0.036 0.000 1.178 1048 Y CA -0.023 58.088 58.100 0.017 0.000 1.331 1048 Y CB 0.574 39.041 38.460 0.012 0.000 1.253 1048 Y HN 0.237 nan 8.280 nan 0.000 0.529 1049 I N 5.399 126.095 120.570 0.209 0.000 2.447 1049 I HA 0.301 4.494 4.170 0.039 0.000 0.287 1049 I C -2.429 173.777 176.117 0.149 0.000 1.023 1049 I CA -2.982 58.391 61.300 0.121 0.000 1.083 1049 I CB 1.575 39.688 38.000 0.187 0.000 1.245 1049 I HN 0.338 nan 8.210 nan 0.000 0.434 1050 P HA 0.093 nan 4.420 nan 0.000 0.270 1050 P C 0.163 177.691 177.300 0.380 0.000 1.216 1050 P CA 0.156 63.232 63.100 -0.041 0.000 0.788 1050 P CB 0.679 32.220 31.700 -0.266 0.000 0.883 1051 G N -0.789 108.093 108.800 0.135 0.000 2.714 1051 G HA2 0.287 4.270 3.960 0.039 0.000 0.292 1051 G HA3 0.287 4.270 3.960 0.039 0.000 0.292 1051 G C -0.657 173.736 174.900 -0.845 0.000 1.308 1051 G CA -0.369 44.699 45.100 -0.053 0.000 0.964 1051 G HN 0.474 nan 8.290 nan 0.000 0.484 1052 Y N 0.042 119.374 120.300 -1.613 0.000 2.457 1052 Y HA 0.017 4.589 4.550 0.037 0.000 0.292 1052 Y C 2.020 177.698 175.900 -0.369 0.000 1.125 1052 Y CA 1.819 59.370 58.100 -0.916 0.000 1.254 1052 Y CB 0.343 38.445 38.460 -0.596 0.000 1.012 1052 Y HN 0.403 nan 8.280 nan 0.000 0.555 1053 N N -0.561 118.083 118.700 -0.094 0.000 2.499 1053 N HA 0.081 4.845 4.740 0.039 0.000 0.182 1053 N C -0.167 175.289 175.510 -0.090 0.000 1.034 1053 N CA 1.078 54.103 53.050 -0.042 0.000 0.882 1053 N CB 0.281 38.813 38.487 0.075 0.000 1.125 1053 N HN 0.267 nan 8.380 nan 0.000 0.436 1054 S N -0.013 115.645 115.700 -0.071 0.000 2.547 1054 S HA 0.448 4.941 4.470 0.039 0.000 0.270 1054 S C -3.194 171.382 174.600 -0.039 0.000 1.150 1054 S CA -1.200 56.963 58.200 -0.061 0.000 0.850 1054 S CB 2.610 65.787 63.200 -0.039 0.000 1.118 1054 S HN -0.132 nan 8.310 nan 0.000 0.461 1055 P HA 0.174 nan 4.420 nan 0.000 0.271 1055 P C -0.557 176.729 177.300 -0.023 0.000 1.218 1055 P CA 0.440 63.516 63.100 -0.040 0.000 0.780 1055 P CB 0.105 31.786 31.700 -0.033 0.000 0.901 1056 Q N -1.220 118.590 119.800 0.017 0.000 2.494 1056 Q HA -0.246 4.118 4.340 0.039 0.000 0.266 1056 Q C 0.922 176.993 176.000 0.118 0.000 1.053 1056 Q CA 1.032 56.894 55.803 0.098 0.000 1.029 1056 Q CB -2.005 26.642 28.738 -0.152 0.000 1.423 1056 Q HN 0.666 nan 8.270 nan 0.000 0.516 1057 E N -0.334 119.917 120.200 0.085 0.000 2.208 1057 E HA -0.084 4.289 4.350 0.039 0.000 0.193 1057 E C -0.144 176.351 176.600 -0.174 0.000 0.988 1057 E CA 0.874 57.239 56.400 -0.058 0.000 0.828 1057 E CB 0.343 30.004 29.700 -0.065 0.000 0.763 1057 E HN 0.435 nan 8.360 nan 0.000 0.478 1058 Y N -0.903 119.488 120.300 0.150 0.000 2.633 1058 Y HA 0.513 5.086 4.550 0.038 0.000 0.339 1058 Y C -0.180 175.757 175.900 0.061 0.000 1.045 1058 Y CA -1.131 57.014 58.100 0.074 0.000 1.098 1058 Y CB 1.474 39.938 38.460 0.005 0.000 1.296 1058 Y HN -0.205 nan 8.280 nan 0.000 0.494 1059 I N 1.650 122.331 120.570 0.185 0.000 2.466 1059 I HA 0.578 4.771 4.170 0.039 0.000 0.289 1059 I C -0.900 175.209 176.117 -0.013 0.000 1.026 1059 I CA -0.954 60.348 61.300 0.004 0.000 1.078 1059 I CB 1.762 39.704 38.000 -0.096 0.000 1.249 1059 I HN 0.698 nan 8.210 nan 0.000 0.429 1060 A N 5.161 127.945 122.820 -0.059 0.000 2.258 1060 A HA 0.813 5.156 4.320 0.039 0.000 0.316 1060 A C -0.164 177.355 177.584 -0.109 0.000 1.279 1060 A CA -0.285 51.706 52.037 -0.077 0.000 0.876 1060 A CB 0.506 19.462 19.000 -0.073 0.000 1.170 1060 A HN 0.703 nan 8.150 nan 0.000 0.520 1061 T N 1.008 115.506 114.554 -0.093 0.000 2.907 1061 T HA 0.593 4.967 4.350 0.039 0.000 0.290 1061 T C -0.034 174.579 174.700 -0.145 0.000 1.066 1061 T CA -0.880 61.136 62.100 -0.140 0.000 1.012 1061 T CB 1.206 69.980 68.868 -0.157 0.000 1.184 1061 T HN 0.782 nan 8.240 nan 0.000 0.522 1062 Q N 0.239 119.922 119.800 -0.196 0.000 2.316 1062 Q HA 0.593 4.956 4.340 0.039 0.000 0.215 1062 Q C 0.435 176.223 176.000 -0.353 0.000 1.020 1062 Q CA -1.160 54.535 55.803 -0.179 0.000 0.970 1062 Q CB 0.066 28.708 28.738 -0.160 0.000 1.187 1062 Q HN 0.848 nan 8.270 nan 0.000 0.546 1063 G N 0.973 109.602 108.800 -0.285 0.000 2.406 1063 G HA2 0.355 4.338 3.960 0.039 0.000 0.251 1063 G HA3 0.355 4.338 3.960 0.039 0.000 0.251 1063 G C -2.440 172.142 174.900 -0.529 0.000 1.271 1063 G CA -1.148 43.676 45.100 -0.459 0.000 0.859 1063 G HN 0.398 nan 8.290 nan 0.000 0.540 1064 P HA 0.078 nan 4.420 nan 0.000 0.266 1064 P C 0.049 177.170 177.300 -0.299 0.000 1.195 1064 P CA 0.068 62.793 63.100 -0.624 0.000 0.768 1064 P CB 0.703 31.815 31.700 -0.980 0.000 0.838 1065 L N 5.790 126.883 121.223 -0.216 0.000 2.416 1065 L HA 0.306 4.669 4.340 0.039 0.000 0.262 1065 L C -1.251 175.581 176.870 -0.064 0.000 1.093 1065 L CA -2.039 52.724 54.840 -0.127 0.000 0.801 1065 L CB 0.803 42.793 42.059 -0.115 0.000 1.191 1065 L HN 0.271 nan 8.230 nan 0.000 0.459 1066 P HA -0.179 nan 4.420 nan 0.000 0.218 1066 P C 0.623 177.942 177.300 0.032 0.000 1.148 1066 P CA 1.102 64.216 63.100 0.024 0.000 0.822 1066 P CB 0.154 31.869 31.700 0.025 0.000 0.784 1067 E N -1.243 118.961 120.200 0.007 0.000 2.479 1067 E HA 0.014 4.387 4.350 0.039 0.000 0.193 1067 E C 0.873 177.480 176.600 0.011 0.000 1.049 1067 E CA 0.914 57.325 56.400 0.018 0.000 0.870 1067 E CB -1.081 28.625 29.700 0.012 0.000 0.944 1067 E HN 0.317 nan 8.360 nan 0.000 0.492 1068 T N -2.777 111.766 114.554 -0.019 0.000 3.043 1068 T HA 0.236 4.609 4.350 0.039 0.000 0.272 1068 T C 1.604 176.277 174.700 -0.046 0.000 0.990 1068 T CA -0.292 61.789 62.100 -0.033 0.000 0.897 1068 T CB 0.457 69.281 68.868 -0.073 0.000 1.111 1068 T HN 0.033 nan 8.240 nan 0.000 0.529 1069 R N 1.957 122.441 120.500 -0.027 0.000 2.115 1069 R HA -0.175 4.188 4.340 0.039 0.000 0.239 1069 R C 1.728 178.072 176.300 0.074 0.000 1.133 1069 R CA 2.246 58.333 56.100 -0.021 0.000 0.935 1069 R CB -0.413 29.943 30.300 0.094 0.000 0.853 1069 R HN 0.280 nan 8.270 nan 0.000 0.433 1070 N N 0.862 119.667 118.700 0.175 0.000 2.205 1070 N HA -0.151 4.612 4.740 0.039 0.000 0.186 1070 N C 1.177 176.768 175.510 0.135 0.000 1.015 1070 N CA 1.464 54.657 53.050 0.239 0.000 0.862 1070 N CB -0.448 38.160 38.487 0.201 0.000 0.986 1070 N HN 0.326 nan 8.380 nan 0.000 0.429 1071 D N -0.178 120.254 120.400 0.053 0.000 2.144 1071 D HA -0.108 4.555 4.640 0.039 0.000 0.200 1071 D C 1.670 177.935 176.300 -0.058 0.000 0.978 1071 D CA 0.380 54.377 54.000 -0.006 0.000 0.833 1071 D CB -0.360 40.424 40.800 -0.026 0.000 0.961 1071 D HN 0.190 nan 8.370 nan 0.000 0.470 1072 F N -0.083 119.702 119.950 -0.275 0.000 2.102 1072 F HA -0.150 4.400 4.527 0.038 0.000 0.298 1072 F C 1.940 177.513 175.800 -0.379 0.000 1.105 1072 F CA 1.388 59.110 58.000 -0.464 0.000 1.239 1072 F CB -0.583 37.930 39.000 -0.813 0.000 0.991 1072 F HN -0.010 nan 8.300 nan 0.000 0.474 1073 W N 0.831 121.970 121.300 -0.268 0.000 2.402 1073 W HA -0.106 4.577 4.660 0.040 0.000 0.286 1073 W C 2.641 179.007 176.519 -0.254 0.000 1.221 1073 W CA 1.080 58.244 57.345 -0.301 0.000 1.257 1073 W CB -0.376 29.006 29.460 -0.130 0.000 1.120 1073 W HN -0.073 nan 8.180 nan 0.000 0.551 1074 K N 0.796 121.212 120.400 0.027 0.000 2.026 1074 K HA -0.259 4.084 4.320 0.039 0.000 0.208 1074 K C 2.111 178.641 176.600 -0.116 0.000 1.048 1074 K CA 1.882 58.139 56.287 -0.049 0.000 0.929 1074 K CB -0.503 31.962 32.500 -0.059 0.000 0.713 1074 K HN 0.121 nan 8.250 nan 0.000 0.439 1075 M N 0.726 120.209 119.600 -0.195 0.000 2.080 1075 M HA -0.184 4.319 4.480 0.039 0.000 0.260 1075 M C 1.842 177.994 176.300 -0.246 0.000 1.068 1075 M CA 1.627 56.787 55.300 -0.232 0.000 1.109 1075 M CB -0.051 32.362 32.600 -0.310 0.000 1.342 1075 M HN 0.057 nan 8.290 nan 0.000 0.405 1076 V N 0.830 120.522 119.914 -0.370 0.000 2.324 1076 V HA -0.285 3.858 4.120 0.039 0.000 0.250 1076 V C 2.366 178.414 176.094 -0.077 0.000 1.060 1076 V CA 1.887 64.023 62.300 -0.272 0.000 1.042 1076 V CB -0.833 30.821 31.823 -0.282 0.000 0.650 1076 V HN 0.578 nan 8.190 nan 0.000 0.450 1077 L N -0.500 120.703 121.223 -0.035 0.000 2.127 1077 L HA -0.067 4.296 4.340 0.039 0.000 0.203 1077 L C 2.420 179.285 176.870 -0.009 0.000 1.080 1077 L CA 1.708 56.551 54.840 0.005 0.000 0.768 1077 L CB -0.709 41.364 42.059 0.022 0.000 0.924 1077 L HN 0.316 nan 8.230 nan 0.000 0.444 1078 Q N -1.005 118.772 119.800 -0.038 0.000 2.167 1078 Q HA -0.177 4.186 4.340 0.039 0.000 0.202 1078 Q C 1.784 177.782 176.000 -0.004 0.000 0.970 1078 Q CA 1.216 57.004 55.803 -0.025 0.000 0.855 1078 Q CB -0.070 28.642 28.738 -0.044 0.000 0.911 1078 Q HN 0.548 nan 8.270 nan 0.000 0.438 1079 Q N 0.201 119.992 119.800 -0.015 0.000 2.424 1079 Q HA 0.039 4.403 4.340 0.039 0.000 0.204 1079 Q C 0.087 176.101 176.000 0.022 0.000 0.933 1079 Q CA 0.323 56.136 55.803 0.017 0.000 0.929 1079 Q CB 0.454 29.194 28.738 0.003 0.000 1.037 1079 Q HN 0.280 nan 8.270 nan 0.000 0.511 1080 K N 0.282 120.690 120.400 0.013 0.000 3.230 1080 K HA -0.095 4.248 4.320 0.039 0.000 0.285 1080 K C -0.733 175.886 176.600 0.031 0.000 1.196 1080 K CA 0.348 56.651 56.287 0.027 0.000 0.838 1080 K CB -1.744 30.775 32.500 0.033 0.000 1.262 1080 K HN 0.031 nan 8.250 nan 0.000 0.492 1081 S N 1.475 117.184 115.700 0.015 0.000 2.465 1081 S HA 0.051 4.544 4.470 0.039 0.000 0.280 1081 S C 0.952 175.585 174.600 0.055 0.000 1.232 1081 S CA -0.156 58.058 58.200 0.023 0.000 1.066 1081 S CB 0.896 64.082 63.200 -0.023 0.000 0.929 1081 S HN 0.210 nan 8.310 nan 0.000 0.494 1082 Q N 2.143 121.990 119.800 0.078 0.000 2.219 1082 Q HA 0.358 4.721 4.340 0.039 0.000 0.209 1082 Q C -0.369 175.715 176.000 0.140 0.000 0.854 1082 Q CA 0.342 56.209 55.803 0.108 0.000 0.960 1082 Q CB 0.309 29.103 28.738 0.093 0.000 1.116 1082 Q HN 0.612 nan 8.270 nan 0.000 0.500 1083 I N 0.853 121.507 120.570 0.140 0.000 2.656 1083 I HA 0.452 4.645 4.170 0.039 0.000 0.292 1083 I C -0.994 175.218 176.117 0.157 0.000 1.144 1083 I CA -0.856 60.556 61.300 0.188 0.000 1.038 1083 I CB 2.341 40.467 38.000 0.210 0.000 1.244 1083 I HN -0.055 nan 8.210 nan 0.000 0.420 1084 I N 5.912 126.579 120.570 0.160 0.000 2.499 1084 I HA 0.414 4.608 4.170 0.039 0.000 0.288 1084 I C -0.961 175.118 176.117 -0.063 0.000 1.048 1084 I CA -0.892 60.456 61.300 0.080 0.000 1.062 1084 I CB 2.468 40.579 38.000 0.185 0.000 1.238 1084 I HN 0.125 nan 8.210 nan 0.000 0.426 1085 V N 6.785 126.599 119.914 -0.167 0.000 2.350 1085 V HA 0.380 4.523 4.120 0.039 0.000 0.285 1085 V C -0.109 175.694 176.094 -0.486 0.000 1.014 1085 V CA -0.465 61.659 62.300 -0.293 0.000 0.831 1085 V CB 1.556 33.030 31.823 -0.582 0.000 1.000 1085 V HN 0.720 nan 8.190 nan 0.000 0.433 1086 M N 6.487 125.770 119.600 -0.528 0.000 2.066 1086 M HA 0.499 5.002 4.480 0.039 0.000 0.340 1086 M C -0.622 175.465 176.300 -0.356 0.000 1.053 1086 M CA -0.371 54.493 55.300 -0.728 0.000 0.983 1086 M CB 0.853 33.082 32.600 -0.617 0.000 1.520 1086 M HN 0.566 nan 8.290 nan 0.000 0.428 1087 L N 4.165 125.173 121.223 -0.358 0.000 2.783 1087 L HA 0.318 4.681 4.340 0.039 0.000 0.236 1087 L C 0.395 177.195 176.870 -0.117 0.000 1.225 1087 L CA -0.104 54.619 54.840 -0.195 0.000 1.026 1087 L CB -0.126 41.712 42.059 -0.369 0.000 1.314 1087 L HN 0.746 nan 8.230 nan 0.000 0.489 1088 T N -0.961 113.551 114.554 -0.070 0.000 2.841 1088 T HA 0.416 4.789 4.350 0.039 0.000 0.296 1088 T C -1.064 173.680 174.700 0.074 0.000 1.166 1088 T CA -0.448 61.655 62.100 0.006 0.000 1.007 1088 T CB 1.798 70.668 68.868 0.003 0.000 1.253 1088 T HN 0.108 nan 8.240 nan 0.000 0.511 1089 Q N 0.632 120.487 119.800 0.092 0.000 2.214 1089 Q HA 0.334 4.697 4.340 0.039 0.000 0.251 1089 Q C 0.979 177.063 176.000 0.140 0.000 0.936 1089 Q CA -0.873 55.006 55.803 0.126 0.000 0.894 1089 Q CB 1.289 30.086 28.738 0.098 0.000 1.252 1089 Q HN 0.804 nan 8.270 nan 0.000 0.448 1090 C N 1.132 120.539 119.300 0.178 0.000 2.413 1090 C HA -0.133 4.350 4.460 0.039 0.000 0.277 1090 C C 0.561 175.611 174.990 0.099 0.000 1.265 1090 C CA 0.733 59.840 59.018 0.147 0.000 1.752 1090 C CB -0.875 26.947 27.740 0.137 0.000 1.998 1090 C HN 0.745 nan 8.230 nan 0.000 0.489 1091 N N -0.295 118.461 118.700 0.092 0.000 2.295 1091 N HA 0.386 5.149 4.740 0.039 0.000 0.293 1091 N C -1.417 174.133 175.510 0.066 0.000 1.040 1091 N CA -0.269 52.823 53.050 0.070 0.000 0.840 1091 N CB 1.456 39.977 38.487 0.057 0.000 1.468 1091 N HN 0.354 nan 8.380 nan 0.000 0.478 1092 E N 1.554 121.791 120.200 0.062 0.000 2.216 1092 E HA 0.317 4.690 4.350 0.039 0.000 0.260 1092 E C -0.632 176.000 176.600 0.053 0.000 0.880 1092 E CA -0.633 55.803 56.400 0.059 0.000 0.765 1092 E CB 1.560 31.300 29.700 0.067 0.000 1.174 1092 E HN 0.646 nan 8.360 nan 0.000 0.417 1093 K N 3.576 124.001 120.400 0.043 0.000 3.419 1093 K HA -0.276 4.068 4.320 0.039 0.000 0.272 1093 K C 0.476 177.096 176.600 0.034 0.000 0.973 1093 K CA 1.286 57.595 56.287 0.035 0.000 0.749 1093 K CB -2.023 30.499 32.500 0.037 0.000 1.403 1093 K HN 0.710 nan 8.250 nan 0.000 0.456 1094 R N -2.571 117.948 120.500 0.032 0.000 4.000 1094 R HA -0.153 4.210 4.340 0.039 0.000 0.362 1094 R C -0.330 175.991 176.300 0.034 0.000 1.183 1094 R CA 1.614 57.731 56.100 0.028 0.000 1.011 1094 R CB -1.468 28.845 30.300 0.022 0.000 1.501 1094 R HN 0.860 nan 8.270 nan 0.000 0.553 1095 R N 0.457 120.983 120.500 0.044 0.000 2.445 1095 R HA 0.403 4.766 4.340 0.039 0.000 0.308 1095 R C -0.001 176.333 176.300 0.056 0.000 0.961 1095 R CA -0.868 55.263 56.100 0.053 0.000 0.862 1095 R CB 1.838 32.179 30.300 0.068 0.000 1.144 1095 R HN -0.160 nan 8.270 nan 0.000 0.447 1096 V N 4.937 124.880 119.914 0.048 0.000 2.479 1096 V HA 0.036 4.180 4.120 0.039 0.000 0.281 1096 V C 1.132 177.254 176.094 0.046 0.000 1.031 1096 V CA 0.402 62.725 62.300 0.038 0.000 1.038 1096 V CB 0.682 32.514 31.823 0.016 0.000 0.981 1096 V HN 0.603 nan 8.190 nan 0.000 0.478 1097 K N 2.390 122.821 120.400 0.052 0.000 2.387 1097 K HA 0.312 4.655 4.320 0.039 0.000 0.197 1097 K C 0.104 176.725 176.600 0.035 0.000 1.127 1097 K CA 0.473 56.797 56.287 0.061 0.000 0.950 1097 K CB 0.770 33.315 32.500 0.075 0.000 1.017 1097 K HN 0.653 nan 8.250 nan 0.000 0.519 1098 C N 1.821 121.149 119.300 0.046 0.000 3.199 1098 C HA 0.267 4.750 4.460 0.039 0.000 0.392 1098 C C -1.429 173.603 174.990 0.069 0.000 1.050 1098 C CA -1.247 57.802 59.018 0.051 0.000 1.222 1098 C CB 1.023 28.853 27.740 0.150 0.000 1.595 1098 C HN 0.489 nan 8.230 nan 0.000 0.560 1099 D N 1.627 122.052 120.400 0.042 0.000 2.399 1099 D HA 0.138 4.801 4.640 0.039 0.000 0.241 1099 D C 0.272 176.568 176.300 -0.008 0.000 1.133 1099 D CA 0.546 54.571 54.000 0.042 0.000 0.890 1099 D CB 0.507 41.327 40.800 0.033 0.000 1.201 1099 D HN 0.711 nan 8.370 nan 0.000 0.432 1100 H N 2.881 121.777 119.070 -0.291 0.000 2.970 1100 H HA 0.077 4.656 4.556 0.039 0.000 0.226 1100 H C 0.260 175.090 175.328 -0.830 0.000 1.909 1100 H CA -0.339 55.149 56.048 -0.932 0.000 1.388 1100 H CB -0.775 28.481 29.762 -0.843 0.000 1.773 1100 H HN 0.505 nan 8.280 nan 0.000 0.559 1101 Y N 0.160 120.246 120.300 -0.357 0.000 2.736 1101 Y HA -0.036 4.537 4.550 0.039 0.000 0.298 1101 Y C -0.111 175.765 175.900 -0.040 0.000 1.156 1101 Y CA -0.639 57.358 58.100 -0.172 0.000 1.384 1101 Y CB -1.081 37.207 38.460 -0.287 0.000 0.976 1101 Y HN 0.414 nan 8.280 nan 0.000 0.556 1102 W N -0.191 120.794 121.300 -0.526 0.000 2.671 1102 W HA 0.765 5.448 4.660 0.039 0.000 0.360 1102 W C -2.931 173.534 176.519 -0.091 0.000 1.128 1102 W CA -3.389 53.810 57.345 -0.243 0.000 1.184 1102 W CB 0.006 29.147 29.460 -0.532 0.000 1.415 1102 W HN -0.401 nan 8.180 nan 0.000 0.604 1103 P HA -0.027 nan 4.420 nan 0.000 0.269 1103 P C -0.095 177.204 177.300 -0.002 0.000 1.211 1103 P CA 0.405 63.603 63.100 0.164 0.000 0.781 1103 P CB 0.460 32.324 31.700 0.273 0.000 0.877 1104 F N -1.378 118.667 119.950 0.160 0.000 2.678 1104 F HA 0.138 4.688 4.527 0.039 0.000 0.291 1104 F C 1.310 177.172 175.800 0.104 0.000 1.123 1104 F CA 0.721 58.773 58.000 0.087 0.000 1.395 1104 F CB 0.204 39.158 39.000 -0.077 0.000 1.121 1104 F HN 0.183 nan 8.300 nan 0.000 0.592 1105 T N -1.096 113.613 114.554 0.259 0.000 2.742 1105 T HA 0.135 4.508 4.350 0.039 0.000 0.282 1105 T C 0.813 175.596 174.700 0.139 0.000 1.025 1105 T CA -0.617 61.583 62.100 0.167 0.000 1.020 1105 T CB 1.463 70.405 68.868 0.123 0.000 1.317 1105 T HN 0.175 nan 8.240 nan 0.000 0.538 1106 E N 0.232 120.489 120.200 0.095 0.000 2.511 1106 E HA 0.006 4.379 4.350 0.039 0.000 0.196 1106 E C -0.243 176.395 176.600 0.063 0.000 1.066 1106 E CA 0.043 56.487 56.400 0.074 0.000 0.871 1106 E CB -0.010 29.720 29.700 0.050 0.000 0.863 1106 E HN 0.401 nan 8.360 nan 0.000 0.520 1107 D N 2.571 123.011 120.400 0.066 0.000 2.343 1107 D HA 0.116 4.779 4.640 0.039 0.000 0.255 1107 D C -2.332 173.988 176.300 0.032 0.000 1.187 1107 D CA -2.515 51.510 54.000 0.042 0.000 0.875 1107 D CB 0.980 41.802 40.800 0.038 0.000 1.136 1107 D HN -0.115 nan 8.370 nan 0.000 0.469 1108 P HA 0.096 nan 4.420 nan 0.000 0.265 1108 P C -0.731 176.529 177.300 -0.067 0.000 1.193 1108 P CA 0.029 63.117 63.100 -0.021 0.000 0.765 1108 P CB 0.474 32.158 31.700 -0.026 0.000 0.823 1109 I N 1.979 122.469 120.570 -0.134 0.000 2.447 1109 I HA 0.364 4.557 4.170 0.039 0.000 0.287 1109 I C 0.104 175.952 176.117 -0.449 0.000 1.023 1109 I CA -1.291 59.830 61.300 -0.298 0.000 1.083 1109 I CB 1.392 39.154 38.000 -0.397 0.000 1.245 1109 I HN 0.284 nan 8.210 nan 0.000 0.434 1110 A N 6.777 129.388 122.820 -0.349 0.000 2.347 1110 A HA 0.453 4.796 4.320 0.039 0.000 0.287 1110 A C -1.131 176.253 177.584 -0.333 0.000 1.199 1110 A CA 0.004 51.889 52.037 -0.252 0.000 0.851 1110 A CB -0.309 18.622 19.000 -0.116 0.000 1.118 1110 A HN 0.513 nan 8.150 nan 0.000 0.525 1111 Y N 3.006 123.294 120.300 -0.021 0.000 2.931 1111 Y HA 0.459 5.032 4.550 0.039 0.000 0.330 1111 Y C 1.360 177.305 175.900 0.075 0.000 1.115 1111 Y CA 0.594 58.732 58.100 0.063 0.000 1.283 1111 Y CB 0.518 39.054 38.460 0.127 0.000 1.215 1111 Y HN 1.273 nan 8.280 nan 0.000 0.534 1112 G N 1.550 110.442 108.800 0.154 0.000 2.536 1112 G HA2 -0.330 3.653 3.960 0.039 0.000 0.277 1112 G HA3 -0.330 3.653 3.960 0.039 0.000 0.277 1112 G C 0.608 175.568 174.900 0.100 0.000 1.155 1112 G CA 0.407 45.578 45.100 0.118 0.000 0.960 1112 G HN 0.438 nan 8.290 nan 0.000 0.544 1113 D N 1.231 121.695 120.400 0.107 0.000 2.328 1113 D HA 0.267 4.930 4.640 0.039 0.000 0.221 1113 D C 0.756 177.178 176.300 0.204 0.000 1.072 1113 D CA 0.613 54.708 54.000 0.158 0.000 0.850 1113 D CB 0.385 41.272 40.800 0.144 0.000 0.922 1113 D HN 0.410 nan 8.370 nan 0.000 0.516 1114 I N 1.057 121.705 120.570 0.131 0.000 2.439 1114 I HA 0.086 4.279 4.170 0.039 0.000 0.285 1114 I C 0.190 176.317 176.117 0.017 0.000 1.021 1114 I CA -0.638 60.721 61.300 0.098 0.000 1.091 1114 I CB 2.018 40.061 38.000 0.073 0.000 1.242 1114 I HN -0.250 nan 8.210 nan 0.000 0.439 1115 T N 3.604 118.147 114.554 -0.019 0.000 2.845 1115 T HA 0.669 5.042 4.350 0.039 0.000 0.288 1115 T C -0.398 174.220 174.700 -0.137 0.000 0.980 1115 T CA -0.596 61.453 62.100 -0.085 0.000 1.071 1115 T CB 1.550 70.382 68.868 -0.061 0.000 0.941 1115 T HN 0.209 nan 8.240 nan 0.000 0.487 1116 V N 3.296 123.100 119.914 -0.184 0.000 2.495 1116 V HA 0.515 4.658 4.120 0.039 0.000 0.298 1116 V C -0.044 176.007 176.094 -0.071 0.000 1.031 1116 V CA -0.802 61.349 62.300 -0.249 0.000 0.871 1116 V CB 1.519 33.006 31.823 -0.560 0.000 0.988 1116 V HN 1.044 nan 8.190 nan 0.000 0.432 1117 E N 4.336 124.542 120.200 0.010 0.000 2.155 1117 E HA 0.437 4.810 4.350 0.039 0.000 0.264 1117 E C -0.719 175.989 176.600 0.179 0.000 0.886 1117 E CA -0.691 55.754 56.400 0.076 0.000 0.752 1117 E CB 1.563 31.286 29.700 0.039 0.000 1.133 1117 E HN 0.744 nan 8.360 nan 0.000 0.414 1118 M N 6.637 126.375 119.600 0.230 0.000 2.194 1118 M HA 0.137 4.640 4.480 0.039 0.000 0.347 1118 M C 0.015 176.332 176.300 0.029 0.000 1.439 1118 M CA 0.073 55.493 55.300 0.200 0.000 1.131 1118 M CB 0.620 33.365 32.600 0.242 0.000 1.733 1118 M HN 0.786 nan 8.290 nan 0.000 0.467 1119 L N 4.117 125.300 121.223 -0.067 0.000 2.130 1119 L HA 0.212 4.576 4.340 0.039 0.000 0.200 1119 L C 0.106 176.933 176.870 -0.071 0.000 1.075 1119 L CA 0.628 55.435 54.840 -0.054 0.000 0.768 1119 L CB 0.361 42.391 42.059 -0.049 0.000 0.933 1119 L HN 0.825 nan 8.230 nan 0.000 0.451 1120 S N -0.943 114.665 115.700 -0.154 0.000 2.548 1120 S HA 0.466 4.959 4.470 0.039 0.000 0.276 1120 S C -0.952 173.530 174.600 -0.196 0.000 1.129 1120 S CA -0.749 57.386 58.200 -0.107 0.000 0.931 1120 S CB 2.066 65.251 63.200 -0.023 0.000 1.068 1120 S HN 0.235 nan 8.310 nan 0.000 0.480 1121 E N 0.856 121.007 120.200 -0.082 0.000 2.224 1121 E HA 0.382 4.755 4.350 0.039 0.000 0.265 1121 E C -1.477 175.149 176.600 0.043 0.000 0.878 1121 E CA -0.313 56.048 56.400 -0.065 0.000 0.759 1121 E CB 1.441 31.141 29.700 -0.001 0.000 1.164 1121 E HN 0.743 nan 8.360 nan 0.000 0.414 1122 E N 4.376 124.633 120.200 0.095 0.000 2.325 1122 E HA 0.121 4.494 4.350 0.039 0.000 0.248 1122 E C -1.383 175.347 176.600 0.217 0.000 0.912 1122 E CA -0.399 56.110 56.400 0.183 0.000 0.782 1122 E CB 1.324 31.189 29.700 0.276 0.000 1.264 1122 E HN 0.519 nan 8.360 nan 0.000 0.417 1123 E N 3.372 123.676 120.200 0.173 0.000 2.152 1123 E HA 0.134 4.507 4.350 0.039 0.000 0.285 1123 E C -0.925 175.777 176.600 0.170 0.000 1.043 1123 E CA -0.254 56.244 56.400 0.164 0.000 0.839 1123 E CB 0.603 30.368 29.700 0.109 0.000 1.069 1123 E HN 0.442 nan 8.360 nan 0.000 0.399 1124 H N 1.641 120.726 119.070 0.024 0.000 2.810 1124 H HA 0.265 4.844 4.556 0.038 0.000 0.316 1124 H C 1.255 176.424 175.328 -0.265 0.000 1.426 1124 H CA 0.368 56.340 56.048 -0.127 0.000 1.413 1124 H CB 1.021 30.655 29.762 -0.214 0.000 1.874 1124 H HN 0.597 nan 8.280 nan 0.000 0.737 1125 T N -1.414 112.560 114.554 -0.967 0.000 2.452 1125 T HA -0.197 4.177 4.350 0.039 0.000 0.251 1125 T C 0.941 175.334 174.700 -0.512 0.000 1.232 1125 T CA 1.843 63.529 62.100 -0.690 0.000 1.226 1125 T CB -0.468 67.940 68.868 -0.768 0.000 0.864 1125 T HN 0.638 nan 8.240 nan 0.000 0.399 1126 D N 0.504 120.505 120.400 -0.664 0.000 2.339 1126 D HA 0.236 4.899 4.640 0.039 0.000 0.217 1126 D C 0.251 176.276 176.300 -0.457 0.000 1.050 1126 D CA 0.117 53.791 54.000 -0.545 0.000 0.856 1126 D CB 0.116 40.623 40.800 -0.488 0.000 0.922 1126 D HN 0.739 nan 8.370 nan 0.000 0.518 1127 W N -0.485 120.767 121.300 -0.081 0.000 2.961 1127 W HA 0.605 5.288 4.660 0.038 0.000 0.368 1127 W C -1.745 174.872 176.519 0.164 0.000 1.213 1127 W CA -1.097 56.242 57.345 -0.010 0.000 1.173 1127 W CB 0.490 30.021 29.460 0.120 0.000 1.487 1127 W HN -0.364 nan 8.180 nan 0.000 0.585 1128 V N 1.127 121.396 119.914 0.591 0.000 3.007 1128 V HA 0.532 4.675 4.120 0.039 0.000 0.311 1128 V C -1.727 174.637 176.094 0.450 0.000 1.120 1128 V CA -0.980 61.586 62.300 0.444 0.000 0.980 1128 V CB 1.825 33.798 31.823 0.250 0.000 1.033 1128 V HN 0.657 nan 8.190 nan 0.000 0.429 1129 Y N 3.350 123.766 120.300 0.195 0.000 2.446 1129 Y HA 0.833 5.406 4.550 0.038 0.000 0.345 1129 Y C -0.368 175.445 175.900 -0.145 0.000 0.984 1129 Y CA -0.950 57.151 58.100 0.002 0.000 1.058 1129 Y CB 1.820 40.293 38.460 0.021 0.000 1.220 1129 Y HN 0.625 nan 8.280 nan 0.000 0.455 1130 R N 3.890 123.642 120.500 -1.247 0.000 2.584 1130 R HA 0.273 4.636 4.340 0.039 0.000 0.276 1130 R C -1.921 173.475 176.300 -1.508 0.000 1.046 1130 R CA -1.134 54.201 56.100 -1.274 0.000 0.906 1130 R CB 1.858 31.484 30.300 -1.124 0.000 1.215 1130 R HN 0.688 nan 8.270 nan 0.000 0.449 1131 N N 2.556 120.560 118.700 -1.160 0.000 2.443 1131 N HA 0.376 5.139 4.740 0.039 0.000 0.269 1131 N C -1.547 173.645 175.510 -0.530 0.000 0.985 1131 N CA -0.289 52.360 53.050 -0.669 0.000 0.921 1131 N CB 0.626 38.935 38.487 -0.296 0.000 1.195 1131 N HN 0.311 nan 8.380 nan 0.000 0.492 1132 F N 1.006 120.892 119.950 -0.106 0.000 2.523 1132 F HA 0.785 5.335 4.527 0.038 0.000 0.329 1132 F C 1.154 176.932 175.800 -0.037 0.000 1.061 1132 F CA -1.029 56.933 58.000 -0.063 0.000 0.967 1132 F CB 1.330 40.303 39.000 -0.045 0.000 1.218 1132 F HN 0.345 nan 8.300 nan 0.000 0.480 1133 R N 2.332 122.930 120.500 0.163 0.000 2.451 1133 R HA 0.772 5.135 4.340 0.039 0.000 0.307 1133 R C -1.101 175.214 176.300 0.026 0.000 0.965 1133 R CA -0.692 55.456 56.100 0.080 0.000 0.865 1133 R CB 0.575 30.905 30.300 0.050 0.000 1.174 1133 R HN 0.866 nan 8.270 nan 0.000 0.455 1134 I N -0.732 119.839 120.570 0.002 0.000 2.707 1134 I HA 0.914 5.107 4.170 0.039 0.000 0.309 1134 I C 0.012 176.129 176.117 -0.000 0.000 1.001 1134 I CA -0.837 60.424 61.300 -0.064 0.000 1.129 1134 I CB 2.788 40.714 38.000 -0.124 0.000 1.308 1134 I HN 0.676 nan 8.210 nan 0.000 0.466 1135 S N 3.041 118.746 115.700 0.009 0.000 2.550 1135 S HA 0.599 5.092 4.470 0.039 0.000 0.270 1135 S C -1.478 173.198 174.600 0.126 0.000 1.145 1135 S CA -0.693 57.540 58.200 0.054 0.000 0.852 1135 S CB 1.674 64.886 63.200 0.021 0.000 1.119 1135 S HN 0.882 nan 8.310 nan 0.000 0.465 1136 Y N 1.756 122.053 120.300 -0.005 0.000 2.315 1136 Y HA 0.644 5.217 4.550 0.039 0.000 0.324 1136 Y C 0.411 176.312 175.900 0.003 0.000 1.062 1136 Y CA 0.343 58.443 58.100 0.001 0.000 1.159 1136 Y CB 0.879 39.345 38.460 0.010 0.000 1.145 1136 Y HN 1.767 nan 8.280 nan 0.000 0.442 1137 A N 3.749 126.255 122.820 -0.524 0.000 5.002 1137 A HA -0.415 3.928 4.320 0.039 0.000 0.326 1137 A C 1.250 178.717 177.584 -0.194 0.000 1.875 1137 A CA 2.972 54.743 52.037 -0.444 0.000 0.708 1137 A CB -2.182 16.446 19.000 -0.620 0.000 1.371 1137 A HN 1.400 nan 8.150 nan 0.000 0.378 1138 D N -0.450 119.866 120.400 -0.140 0.000 2.473 1138 D HA 0.434 5.097 4.640 0.039 0.000 0.230 1138 D C 0.786 177.075 176.300 -0.019 0.000 1.097 1138 D CA 1.055 55.018 54.000 -0.062 0.000 0.861 1138 D CB -0.083 40.688 40.800 -0.048 0.000 1.114 1138 D HN 0.926 nan 8.370 nan 0.000 0.500 1139 E N 0.478 120.680 120.200 0.003 0.000 2.480 1139 E HA 0.310 4.683 4.350 0.039 0.000 0.258 1139 E C -0.853 175.779 176.600 0.054 0.000 0.984 1139 E CA 0.071 56.503 56.400 0.054 0.000 0.930 1139 E CB 0.848 30.622 29.700 0.124 0.000 0.936 1139 E HN 0.255 nan 8.360 nan 0.000 0.466 1140 V N 4.469 124.410 119.914 0.044 0.000 2.769 1140 V HA 0.390 4.534 4.120 0.039 0.000 0.312 1140 V C -0.448 175.675 176.094 0.048 0.000 1.061 1140 V CA -0.719 61.606 62.300 0.041 0.000 0.931 1140 V CB 1.906 33.745 31.823 0.027 0.000 1.010 1140 V HN 0.696 nan 8.190 nan 0.000 0.433 1141 Q N 1.569 121.400 119.800 0.052 0.000 2.281 1141 Q HA 0.379 4.742 4.340 0.039 0.000 0.263 1141 Q C -1.845 174.199 176.000 0.073 0.000 0.989 1141 Q CA -0.586 55.254 55.803 0.061 0.000 0.852 1141 Q CB 2.345 31.123 28.738 0.067 0.000 1.337 1141 Q HN 0.856 nan 8.270 nan 0.000 0.418 1142 D N 1.285 121.730 120.400 0.075 0.000 2.302 1142 D HA 0.427 5.091 4.640 0.039 0.000 0.248 1142 D C -1.177 175.192 176.300 0.115 0.000 1.094 1142 D CA 0.167 54.219 54.000 0.087 0.000 0.897 1142 D CB 1.744 42.586 40.800 0.070 0.000 1.200 1142 D HN 0.230 nan 8.370 nan 0.000 0.429 1143 V N 2.762 122.769 119.914 0.154 0.000 2.668 1143 V HA 0.470 4.613 4.120 0.039 0.000 0.304 1143 V C -1.194 175.000 176.094 0.166 0.000 1.071 1143 V CA -0.723 61.695 62.300 0.197 0.000 0.894 1143 V CB 1.485 33.483 31.823 0.292 0.000 1.008 1143 V HN 0.503 nan 8.190 nan 0.000 0.425 1144 M N 6.527 126.185 119.600 0.097 0.000 2.277 1144 M HA 0.523 5.026 4.480 0.039 0.000 0.350 1144 M C -0.571 175.656 176.300 -0.121 0.000 1.180 1144 M CA -0.348 54.899 55.300 -0.090 0.000 1.103 1144 M CB 0.967 33.552 32.600 -0.025 0.000 1.577 1144 M HN 0.823 nan 8.290 nan 0.000 0.459 1145 H N 3.657 122.422 119.070 -0.508 0.000 2.727 1145 H HA 0.387 4.967 4.556 0.039 0.000 0.330 1145 H C -2.008 173.052 175.328 -0.446 0.000 0.986 1145 H CA -0.546 55.320 56.048 -0.304 0.000 1.251 1145 H CB 0.727 30.440 29.762 -0.082 0.000 1.493 1145 H HN 0.568 nan 8.280 nan 0.000 0.515 1146 F N 4.079 123.958 119.950 -0.119 0.000 2.332 1146 F HA 0.161 4.712 4.527 0.039 0.000 0.368 1146 F C 0.562 176.410 175.800 0.079 0.000 1.110 1146 F CA -0.824 57.233 58.000 0.095 0.000 1.087 1146 F CB 0.783 39.804 39.000 0.035 0.000 1.235 1146 F HN 0.450 nan 8.300 nan 0.000 0.470 1147 N N 3.345 122.206 118.700 0.269 0.000 2.485 1147 N HA 0.114 4.877 4.740 0.039 0.000 0.243 1147 N C -1.510 174.102 175.510 0.169 0.000 0.987 1147 N CA -0.469 52.662 53.050 0.135 0.000 0.940 1147 N CB 0.306 38.862 38.487 0.115 0.000 1.122 1147 N HN 0.463 nan 8.380 nan 0.000 0.509 1148 Y N 2.662 122.858 120.300 -0.173 0.000 2.404 1148 Y HA 0.190 4.763 4.550 0.040 0.000 0.344 1148 Y C 1.350 177.230 175.900 -0.033 0.000 0.995 1148 Y CA -0.015 57.910 58.100 -0.291 0.000 1.201 1148 Y CB 0.868 38.885 38.460 -0.737 0.000 1.151 1148 Y HN 0.607 nan 8.280 nan 0.000 0.517 1149 T N 0.915 115.286 114.554 -0.305 0.000 3.092 1149 T HA 0.325 4.698 4.350 0.039 0.000 0.258 1149 T C 0.906 175.505 174.700 -0.167 0.000 1.031 1149 T CA 0.309 62.327 62.100 -0.136 0.000 0.925 1149 T CB 0.153 68.982 68.868 -0.066 0.000 1.036 1149 T HN 0.584 nan 8.240 nan 0.000 0.544 1150 A N 0.608 123.196 122.820 -0.385 0.000 2.610 1150 A HA 0.439 4.782 4.320 0.039 0.000 0.286 1150 A C -0.243 177.452 177.584 0.185 0.000 1.306 1150 A CA -0.717 51.229 52.037 -0.151 0.000 0.942 1150 A CB -0.370 18.466 19.000 -0.274 0.000 1.112 1150 A HN 0.596 nan 8.150 nan 0.000 0.527 1151 W N 2.806 124.171 121.300 0.108 0.000 2.413 1151 W HA 0.391 5.072 4.660 0.036 0.000 0.308 1151 W C -3.029 173.507 176.519 0.028 0.000 0.997 1151 W CA -3.141 54.272 57.345 0.113 0.000 1.447 1151 W CB 1.384 30.948 29.460 0.173 0.000 1.263 1151 W HN 0.137 nan 8.180 nan 0.000 0.416 1152 P HA -0.036 nan 4.420 nan 0.000 0.268 1152 P C 0.103 177.523 177.300 0.201 0.000 1.204 1152 P CA 0.172 63.397 63.100 0.207 0.000 0.768 1152 P CB 1.260 33.039 31.700 0.132 0.000 0.842 1153 D N 1.777 122.230 120.400 0.088 0.000 2.506 1153 D HA -0.115 4.548 4.640 0.039 0.000 0.234 1153 D C 0.630 176.968 176.300 0.064 0.000 1.143 1153 D CA 0.874 54.858 54.000 -0.028 0.000 0.871 1153 D CB -0.181 40.583 40.800 -0.061 0.000 1.190 1153 D HN 0.517 nan 8.370 nan 0.000 0.459 1154 H N -0.555 118.529 119.070 0.024 0.000 3.366 1154 H HA -0.183 4.396 4.556 0.038 0.000 0.233 1154 H C 0.813 176.184 175.328 0.072 0.000 1.102 1154 H CA 1.085 57.152 56.048 0.032 0.000 1.184 1154 H CB -1.156 28.611 29.762 0.009 0.000 1.216 1154 H HN 0.420 nan 8.280 nan 0.000 0.317 1155 G N -0.615 108.319 108.800 0.224 0.000 3.257 1155 G HA2 0.720 4.703 3.960 0.039 0.000 0.205 1155 G HA3 0.720 4.703 3.960 0.039 0.000 0.205 1155 G C -0.369 174.684 174.900 0.255 0.000 1.234 1155 G CA -0.116 45.092 45.100 0.180 0.000 0.918 1155 G HN 0.688 nan 8.290 nan 0.000 0.602 1156 V N -3.570 116.288 119.914 -0.093 0.000 3.159 1156 V HA 0.781 4.924 4.120 0.039 0.000 0.308 1156 V C -2.992 172.631 176.094 -0.785 0.000 1.190 1156 V CA -2.247 59.630 62.300 -0.704 0.000 1.037 1156 V CB 1.488 32.753 31.823 -0.931 0.000 1.060 1156 V HN 0.545 nan 8.190 nan 0.000 0.437 1157 P HA 0.291 nan 4.420 nan 0.000 0.272 1157 P C 0.095 177.173 177.300 -0.370 0.000 1.240 1157 P CA 0.176 62.945 63.100 -0.552 0.000 0.791 1157 P CB 0.239 31.654 31.700 -0.475 0.000 0.978 1158 T N -2.260 112.188 114.554 -0.176 0.000 2.766 1158 T HA 0.283 4.656 4.350 0.039 0.000 0.295 1158 T C 1.351 176.003 174.700 -0.079 0.000 1.024 1158 T CA 0.014 62.044 62.100 -0.118 0.000 1.018 1158 T CB 0.245 69.073 68.868 -0.066 0.000 1.002 1158 T HN 0.338 nan 8.240 nan 0.000 0.532 1159 A N 1.170 123.960 122.820 -0.050 0.000 2.070 1159 A HA -0.073 4.270 4.320 0.039 0.000 0.220 1159 A C 2.193 179.778 177.584 0.002 0.000 1.159 1159 A CA 1.524 53.553 52.037 -0.013 0.000 0.656 1159 A CB -1.094 17.898 19.000 -0.015 0.000 0.800 1159 A HN 0.832 nan 8.150 nan 0.000 0.453 1160 N N -0.451 118.245 118.700 -0.007 0.000 2.416 1160 N HA 0.124 4.887 4.740 0.039 0.000 0.177 1160 N C 1.306 176.829 175.510 0.022 0.000 1.036 1160 N CA 1.002 54.055 53.050 0.004 0.000 0.901 1160 N CB -0.122 38.360 38.487 -0.009 0.000 0.976 1160 N HN 0.401 nan 8.380 nan 0.000 0.444 1161 A N -0.439 122.393 122.820 0.021 0.000 2.345 1161 A HA 0.517 4.860 4.320 0.039 0.000 0.225 1161 A C 1.945 179.588 177.584 0.098 0.000 1.243 1161 A CA 0.518 52.597 52.037 0.070 0.000 0.875 1161 A CB -0.302 18.738 19.000 0.067 0.000 0.929 1161 A HN 0.204 nan 8.150 nan 0.000 0.502 1162 A N 0.706 123.574 122.820 0.078 0.000 1.873 1162 A HA -0.232 4.111 4.320 0.039 0.000 0.218 1162 A C 1.858 179.501 177.584 0.098 0.000 1.193 1162 A CA 2.116 54.216 52.037 0.106 0.000 0.629 1162 A CB -0.478 18.566 19.000 0.073 0.000 0.826 1162 A HN 0.497 nan 8.150 nan 0.000 0.447 1163 E N -0.663 119.596 120.200 0.097 0.000 2.106 1163 E HA -0.098 4.275 4.350 0.039 0.000 0.192 1163 E C 2.315 179.029 176.600 0.190 0.000 0.984 1163 E CA 1.081 57.550 56.400 0.115 0.000 0.806 1163 E CB -0.204 29.561 29.700 0.108 0.000 0.750 1163 E HN 0.579 nan 8.360 nan 0.000 0.458 1164 S N 0.201 116.043 115.700 0.238 0.000 2.365 1164 S HA -0.229 4.264 4.470 0.039 0.000 0.221 1164 S C 2.003 176.927 174.600 0.539 0.000 1.037 1164 S CA 1.531 59.987 58.200 0.428 0.000 1.060 1164 S CB -0.380 63.048 63.200 0.380 0.000 0.974 1164 S HN 0.307 nan 8.310 nan 0.000 0.427 1165 I N 1.751 122.505 120.570 0.307 0.000 2.208 1165 I HA -0.100 4.093 4.170 0.039 0.000 0.245 1165 I C 2.058 178.223 176.117 0.081 0.000 1.097 1165 I CA 1.506 62.810 61.300 0.008 0.000 1.363 1165 I CB -0.498 37.382 38.000 -0.201 0.000 1.051 1165 I HN 0.412 nan 8.210 nan 0.000 0.413 1166 L N -0.291 120.972 121.223 0.067 0.000 2.191 1166 L HA -0.226 4.137 4.340 0.039 0.000 0.212 1166 L C 2.495 179.378 176.870 0.021 0.000 1.103 1166 L CA 1.294 56.134 54.840 0.001 0.000 0.769 1166 L CB -0.682 41.365 42.059 -0.020 0.000 0.908 1166 L HN 0.409 nan 8.230 nan 0.000 0.438 1167 Q N -1.034 118.840 119.800 0.123 0.000 2.123 1167 Q HA -0.188 4.175 4.340 0.039 0.000 0.199 1167 Q C 2.108 178.084 176.000 -0.039 0.000 0.966 1167 Q CA 1.274 57.140 55.803 0.106 0.000 0.845 1167 Q CB -0.146 28.767 28.738 0.293 0.000 0.907 1167 Q HN 0.377 nan 8.270 nan 0.000 0.439 1168 F N 1.117 120.936 119.950 -0.219 0.000 2.102 1168 F HA -0.210 4.340 4.527 0.038 0.000 0.298 1168 F C 1.977 177.593 175.800 -0.306 0.000 1.105 1168 F CA 1.073 58.780 58.000 -0.488 0.000 1.239 1168 F CB -0.202 38.610 39.000 -0.313 0.000 0.991 1168 F HN -0.214 nan 8.300 nan 0.000 0.474 1169 V N 0.383 120.207 119.914 -0.149 0.000 2.407 1169 V HA -0.321 3.823 4.120 0.039 0.000 0.248 1169 V C 2.348 178.240 176.094 -0.336 0.000 1.055 1169 V CA 2.063 64.188 62.300 -0.292 0.000 1.049 1169 V CB -0.887 30.729 31.823 -0.344 0.000 0.662 1169 V HN 0.407 nan 8.190 nan 0.000 0.455 1170 Q N 0.205 119.851 119.800 -0.257 0.000 2.030 1170 Q HA -0.253 4.110 4.340 0.039 0.000 0.204 1170 Q C 2.219 178.044 176.000 -0.292 0.000 0.986 1170 Q CA 2.544 58.214 55.803 -0.222 0.000 0.843 1170 Q CB -0.511 28.142 28.738 -0.140 0.000 0.904 1170 Q HN 0.588 nan 8.270 nan 0.000 0.420 1171 M N -0.851 118.520 119.600 -0.382 0.000 2.149 1171 M HA -0.165 4.339 4.480 0.039 0.000 0.261 1171 M C 1.572 177.486 176.300 -0.643 0.000 1.064 1171 M CA 1.626 56.645 55.300 -0.468 0.000 1.102 1171 M CB 0.035 32.300 32.600 -0.559 0.000 1.369 1171 M HN 0.218 nan 8.290 nan 0.000 0.408 1172 V N -0.112 119.305 119.914 -0.828 0.000 2.719 1172 V HA -0.159 3.984 4.120 0.039 0.000 0.252 1172 V C 2.307 178.158 176.094 -0.405 0.000 1.065 1172 V CA 1.418 63.202 62.300 -0.860 0.000 1.086 1172 V CB -0.830 30.505 31.823 -0.813 0.000 0.700 1172 V HN 0.446 nan 8.190 nan 0.000 0.467 1173 R N 0.502 120.819 120.500 -0.305 0.000 2.090 1173 R HA -0.072 4.291 4.340 0.039 0.000 0.228 1173 R C 2.224 178.438 176.300 -0.144 0.000 1.110 1173 R CA 1.444 57.437 56.100 -0.179 0.000 0.973 1173 R CB -0.467 29.732 30.300 -0.169 0.000 0.869 1173 R HN 0.556 nan 8.270 nan 0.000 0.440 1174 Q N -0.359 119.340 119.800 -0.169 0.000 2.224 1174 Q HA -0.088 4.275 4.340 0.039 0.000 0.203 1174 Q C 1.248 177.196 176.000 -0.086 0.000 0.970 1174 Q CA 1.060 56.793 55.803 -0.117 0.000 0.865 1174 Q CB 0.162 28.827 28.738 -0.122 0.000 0.922 1174 Q HN 0.117 nan 8.270 nan 0.000 0.445 1175 K N -0.238 120.098 120.400 -0.107 0.000 2.356 1175 K HA 0.110 4.453 4.320 0.039 0.000 0.195 1175 K C 2.013 178.614 176.600 0.002 0.000 1.037 1175 K CA 0.253 56.525 56.287 -0.024 0.000 1.014 1175 K CB 0.264 32.790 32.500 0.044 0.000 0.815 1175 K HN 0.016 nan 8.250 nan 0.000 0.507 1176 S N 1.505 117.185 115.700 -0.033 0.000 2.393 1176 S HA -0.198 4.296 4.470 0.039 0.000 0.234 1176 S C 2.008 176.613 174.600 0.009 0.000 1.064 1176 S CA 1.781 59.976 58.200 -0.008 0.000 1.088 1176 S CB -0.656 62.531 63.200 -0.021 0.000 0.939 1176 S HN 0.202 nan 8.310 nan 0.000 0.448 1177 V N 1.969 121.885 119.914 0.004 0.000 2.469 1177 V HA -0.169 3.974 4.120 0.039 0.000 0.251 1177 V C 1.702 177.809 176.094 0.022 0.000 1.064 1177 V CA 1.776 64.082 62.300 0.011 0.000 1.066 1177 V CB -0.504 31.322 31.823 0.005 0.000 0.667 1177 V HN 0.447 nan 8.190 nan 0.000 0.461 1178 K N 0.402 120.822 120.400 0.033 0.000 2.555 1178 K HA 0.065 4.409 4.320 0.039 0.000 0.193 1178 K C 0.712 177.345 176.600 0.054 0.000 1.032 1178 K CA 0.433 56.747 56.287 0.045 0.000 1.004 1178 K CB -0.011 32.524 32.500 0.059 0.000 0.804 1178 K HN 0.455 nan 8.250 nan 0.000 0.496 1179 S N 0.449 116.179 115.700 0.050 0.000 2.454 1179 S HA 0.227 4.720 4.470 0.039 0.000 0.306 1179 S C 0.648 175.271 174.600 0.038 0.000 1.100 1179 S CA -0.817 57.415 58.200 0.054 0.000 1.087 1179 S CB 1.249 64.488 63.200 0.064 0.000 1.019 1179 S HN 0.058 nan 8.310 nan 0.000 0.480 1180 K N 3.177 123.600 120.400 0.039 0.000 1.973 1180 K HA 0.088 4.431 4.320 0.039 0.000 0.210 1180 K C 1.423 178.040 176.600 0.028 0.000 1.045 1180 K CA 0.953 57.258 56.287 0.030 0.000 0.937 1180 K CB -0.680 31.839 32.500 0.032 0.000 0.721 1180 K HN 0.680 nan 8.250 nan 0.000 0.438 1181 G N 1.800 110.621 108.800 0.034 0.000 2.553 1181 G HA2 0.210 4.193 3.960 0.039 0.000 0.278 1181 G HA3 0.210 4.193 3.960 0.039 0.000 0.278 1181 G C -2.567 172.356 174.900 0.038 0.000 1.349 1181 G CA -1.020 44.103 45.100 0.039 0.000 1.037 1181 G HN 0.003 nan 8.290 nan 0.000 0.508 1182 P HA 0.143 nan 4.420 nan 0.000 0.271 1182 P C -0.067 177.264 177.300 0.052 0.000 1.218 1182 P CA 0.050 63.180 63.100 0.051 0.000 0.780 1182 P CB 0.532 32.309 31.700 0.127 0.000 0.901 1183 M N 2.654 122.282 119.600 0.046 0.000 2.227 1183 M HA 0.163 4.666 4.480 0.039 0.000 0.349 1183 M C 0.192 176.580 176.300 0.146 0.000 1.443 1183 M CA 0.339 55.703 55.300 0.107 0.000 1.110 1183 M CB -0.162 32.530 32.600 0.154 0.000 1.773 1183 M HN 0.200 nan 8.290 nan 0.000 0.463 1184 I N 5.614 126.239 120.570 0.092 0.000 2.352 1184 I HA 0.240 4.433 4.170 0.039 0.000 0.290 1184 I C -0.226 175.922 176.117 0.051 0.000 1.036 1184 I CA -0.558 60.787 61.300 0.074 0.000 1.336 1184 I CB 0.528 38.563 38.000 0.059 0.000 1.407 1184 I HN 0.565 nan 8.210 nan 0.000 0.497 1185 I N 6.515 127.082 120.570 -0.006 0.000 2.509 1185 I HA 0.583 4.776 4.170 0.039 0.000 0.293 1185 I C -0.625 175.426 176.117 -0.109 0.000 1.020 1185 I CA 0.239 61.439 61.300 -0.168 0.000 1.088 1185 I CB 1.774 39.579 38.000 -0.325 0.000 1.267 1185 I HN 0.647 nan 8.210 nan 0.000 0.430 1186 H N 4.463 123.396 119.070 -0.228 0.000 2.990 1186 H HA 0.684 5.263 4.556 0.038 0.000 0.336 1186 H C -1.174 174.020 175.328 -0.223 0.000 1.306 1186 H CA -0.281 55.635 56.048 -0.220 0.000 1.118 1186 H CB 1.522 31.143 29.762 -0.235 0.000 1.856 1186 H HN 0.983 nan 8.280 nan 0.000 0.538 1187 C N 0.084 119.375 119.300 -0.015 0.000 3.556 1187 C HA 0.539 5.022 4.460 0.039 0.000 0.089 1187 C C 1.735 176.774 174.990 0.082 0.000 2.529 1187 C CA 0.728 59.701 59.018 -0.074 0.000 1.460 1187 C CB 0.885 28.485 27.740 -0.233 0.000 2.626 1187 C HN 0.785 nan 8.230 nan 0.000 0.451 1188 S N 0.363 116.063 115.700 0.001 0.000 2.783 1188 S HA 0.414 4.907 4.470 0.039 0.000 0.205 1188 S C 1.906 176.588 174.600 0.137 0.000 0.910 1188 S CA 1.044 59.285 58.200 0.068 0.000 0.861 1188 S CB -0.686 62.567 63.200 0.089 0.000 0.830 1188 S HN 1.134 nan 8.310 nan 0.000 0.630 1189 A N 0.053 122.986 122.820 0.188 0.000 2.119 1189 A HA 0.428 4.771 4.320 0.039 0.000 0.216 1189 A C 1.562 179.163 177.584 0.028 0.000 1.152 1189 A CA 1.121 53.295 52.037 0.229 0.000 0.708 1189 A CB -1.188 17.794 19.000 -0.031 0.000 0.805 1189 A HN 1.568 nan 8.150 nan 0.000 0.460 1190 G N -1.337 107.440 108.800 -0.039 0.000 2.225 1190 G HA2 -0.164 3.820 3.960 0.039 0.000 0.264 1190 G HA3 -0.164 3.820 3.960 0.039 0.000 0.264 1190 G C 0.763 175.604 174.900 -0.099 0.000 1.060 1190 G CA 0.886 45.939 45.100 -0.079 0.000 0.833 1190 G HN 1.758 nan 8.290 nan 0.000 0.498 1191 V N -4.873 114.976 119.914 -0.109 0.000 3.161 1191 V HA 0.606 4.749 4.120 0.039 0.000 0.228 1191 V C 2.148 178.196 176.094 -0.077 0.000 1.415 1191 V CA 1.470 63.718 62.300 -0.086 0.000 1.285 1191 V CB -0.475 31.305 31.823 -0.071 0.000 1.100 1191 V HN 0.951 nan 8.190 nan 0.000 0.478 1192 G N 0.778 109.512 108.800 -0.110 0.000 2.456 1192 G HA2 -0.046 3.937 3.960 0.039 0.000 0.213 1192 G HA3 -0.046 3.937 3.960 0.039 0.000 0.213 1192 G C 1.630 176.424 174.900 -0.175 0.000 1.215 1192 G CA 0.853 45.904 45.100 -0.082 0.000 0.805 1192 G HN 0.458 nan 8.290 nan 0.000 0.537 1193 R N -0.312 119.944 120.500 -0.405 0.000 2.115 1193 R HA 0.026 4.390 4.340 0.039 0.000 0.226 1193 R C 2.758 178.703 176.300 -0.591 0.000 1.100 1193 R CA 1.401 56.981 56.100 -0.866 0.000 0.980 1193 R CB -0.452 29.137 30.300 -1.185 0.000 0.875 1193 R HN 0.243 nan 8.270 nan 0.000 0.445 1194 T N -0.195 114.148 114.554 -0.352 0.000 2.867 1194 T HA -0.065 4.308 4.350 0.039 0.000 0.268 1194 T C 1.770 176.383 174.700 -0.145 0.000 1.057 1194 T CA 1.401 63.357 62.100 -0.239 0.000 1.136 1194 T CB -0.156 68.597 68.868 -0.192 0.000 0.874 1194 T HN 0.518 nan 8.240 nan 0.000 0.466 1195 G N 0.753 109.492 108.800 -0.101 0.000 2.408 1195 G HA2 -0.126 3.858 3.960 0.039 0.000 0.215 1195 G HA3 -0.126 3.858 3.960 0.039 0.000 0.215 1195 G C 1.665 176.582 174.900 0.028 0.000 1.156 1195 G CA 1.034 46.118 45.100 -0.027 0.000 0.793 1195 G HN 0.429 nan 8.290 nan 0.000 0.535 1196 T N 0.550 115.160 114.554 0.093 0.000 2.951 1196 T HA -0.007 4.366 4.350 0.039 0.000 0.268 1196 T C 1.807 176.631 174.700 0.206 0.000 1.073 1196 T CA 0.611 62.860 62.100 0.248 0.000 1.134 1196 T CB -0.157 69.054 68.868 0.572 0.000 0.884 1196 T HN 0.255 nan 8.240 nan 0.000 0.479 1197 F N 1.812 121.752 119.950 -0.017 0.000 2.039 1197 F HA 0.037 4.587 4.527 0.039 0.000 0.294 1197 F C 1.973 177.603 175.800 -0.282 0.000 1.130 1197 F CA 1.011 58.972 58.000 -0.065 0.000 1.189 1197 F CB -0.416 38.496 39.000 -0.146 0.000 0.983 1197 F HN -0.007 nan 8.300 nan 0.000 0.471 1198 I N 0.690 121.116 120.570 -0.241 0.000 2.185 1198 I HA -0.419 3.774 4.170 0.039 0.000 0.246 1198 I C 2.636 178.251 176.117 -0.838 0.000 1.088 1198 I CA 1.401 62.216 61.300 -0.808 0.000 1.347 1198 I CB -0.966 36.524 38.000 -0.850 0.000 1.041 1198 I HN 0.334 nan 8.210 nan 0.000 0.415 1199 A N 0.720 123.306 122.820 -0.390 0.000 1.877 1199 A HA -0.149 4.194 4.320 0.039 0.000 0.216 1199 A C 2.290 179.762 177.584 -0.187 0.000 1.186 1199 A CA 1.350 53.286 52.037 -0.169 0.000 0.620 1199 A CB -0.822 18.177 19.000 -0.000 0.000 0.822 1199 A HN 0.399 nan 8.150 nan 0.000 0.443 1200 L N -0.601 120.456 121.223 -0.277 0.000 2.131 1200 L HA -0.186 4.177 4.340 0.039 0.000 0.210 1200 L C 2.311 178.963 176.870 -0.364 0.000 1.092 1200 L CA 1.588 56.241 54.840 -0.311 0.000 0.759 1200 L CB -0.490 41.366 42.059 -0.339 0.000 0.903 1200 L HN 0.416 nan 8.230 nan 0.000 0.435 1201 D N -0.627 119.462 120.400 -0.519 0.000 2.123 1201 D HA -0.173 4.490 4.640 0.039 0.000 0.200 1201 D C 2.065 178.340 176.300 -0.042 0.000 0.976 1201 D CA 1.139 54.898 54.000 -0.401 0.000 0.831 1201 D CB -0.043 40.454 40.800 -0.506 0.000 0.974 1201 D HN 0.233 nan 8.370 nan 0.000 0.469 1202 W N 0.725 121.956 121.300 -0.115 0.000 2.322 1202 W HA -0.181 4.501 4.660 0.036 0.000 0.326 1202 W C 2.462 178.870 176.519 -0.185 0.000 1.224 1202 W CA 0.222 57.520 57.345 -0.079 0.000 1.257 1202 W CB -0.550 28.906 29.460 -0.007 0.000 1.174 1202 W HN -0.015 nan 8.180 nan 0.000 0.460 1203 L N -0.092 121.205 121.223 0.124 0.000 2.137 1203 L HA -0.292 4.071 4.340 0.039 0.000 0.213 1203 L C 2.411 179.219 176.870 -0.104 0.000 1.085 1203 L CA 0.957 55.773 54.840 -0.039 0.000 0.760 1203 L CB -1.162 40.832 42.059 -0.109 0.000 0.893 1203 L HN 0.141 nan 8.230 nan 0.000 0.434 1204 L N -0.339 120.805 121.223 -0.132 0.000 2.012 1204 L HA -0.251 4.113 4.340 0.039 0.000 0.210 1204 L C 2.610 179.364 176.870 -0.192 0.000 1.073 1204 L CA 1.841 56.585 54.840 -0.160 0.000 0.748 1204 L CB -0.386 41.567 42.059 -0.177 0.000 0.891 1204 L HN 0.251 nan 8.230 nan 0.000 0.431 1205 Q N -1.902 117.727 119.800 -0.285 0.000 2.049 1205 Q HA -0.205 4.159 4.340 0.039 0.000 0.198 1205 Q C 2.238 177.919 176.000 -0.531 0.000 0.971 1205 Q CA 1.404 56.890 55.803 -0.527 0.000 0.833 1205 Q CB -0.366 27.785 28.738 -0.978 0.000 0.896 1205 Q HN 0.597 nan 8.270 nan 0.000 0.434 1206 H N 0.938 119.680 119.070 -0.547 0.000 2.321 1206 H HA -0.106 4.474 4.556 0.040 0.000 0.300 1206 H C 2.021 177.282 175.328 -0.113 0.000 1.087 1206 H CA 1.555 57.500 56.048 -0.172 0.000 1.319 1206 H CB -0.046 29.593 29.762 -0.204 0.000 1.379 1206 H HN 0.216 nan 8.280 nan 0.000 0.501 1207 I N 0.578 121.118 120.570 -0.050 0.000 2.248 1207 I HA -0.310 3.883 4.170 0.039 0.000 0.248 1207 I C 3.039 179.109 176.117 -0.078 0.000 1.107 1207 I CA 1.264 62.519 61.300 -0.074 0.000 1.373 1207 I CB -0.308 37.629 38.000 -0.104 0.000 1.055 1207 I HN 0.236 nan 8.210 nan 0.000 0.418 1208 R N 1.072 121.517 120.500 -0.092 0.000 2.082 1208 R HA -0.199 4.164 4.340 0.039 0.000 0.234 1208 R C 1.516 177.784 176.300 -0.053 0.000 1.136 1208 R CA 2.209 58.264 56.100 -0.074 0.000 0.935 1208 R CB -0.179 30.066 30.300 -0.092 0.000 0.842 1208 R HN 0.329 nan 8.270 nan 0.000 0.430 1209 D N -0.622 119.766 120.400 -0.020 0.000 2.355 1209 D HA 0.021 4.684 4.640 0.039 0.000 0.218 1209 D C 0.260 176.441 176.300 -0.200 0.000 1.004 1209 D CA 0.674 54.650 54.000 -0.039 0.000 0.880 1209 D CB 0.187 41.025 40.800 0.063 0.000 0.911 1209 D HN 0.425 nan 8.370 nan 0.000 0.528 1210 H N -0.428 118.486 119.070 -0.260 0.000 2.824 1210 H HA 0.308 4.887 4.556 0.039 0.000 0.345 1210 H C -0.132 175.139 175.328 -0.096 0.000 1.252 1210 H CA -0.540 55.362 56.048 -0.242 0.000 1.246 1210 H CB 1.882 31.244 29.762 -0.666 0.000 1.908 1210 H HN -0.193 nan 8.280 nan 0.000 0.601 1211 E N 0.258 120.574 120.200 0.193 0.000 2.624 1211 E HA 0.162 4.536 4.350 0.039 0.000 0.210 1211 E C -1.345 175.431 176.600 0.294 0.000 0.997 1211 E CA -0.199 56.309 56.400 0.180 0.000 0.999 1211 E CB 0.223 30.016 29.700 0.155 0.000 1.040 1211 E HN 0.369 nan 8.360 nan 0.000 0.469 1212 F N -1.604 118.439 119.950 0.155 0.000 2.713 1212 F HA 0.684 5.233 4.527 0.037 0.000 0.311 1212 F C -1.345 174.564 175.800 0.181 0.000 1.141 1212 F CA -1.451 56.633 58.000 0.139 0.000 0.939 1212 F CB 0.771 39.849 39.000 0.129 0.000 1.325 1212 F HN -0.218 nan 8.300 nan 0.000 0.453 1213 V N -0.673 119.226 119.914 -0.024 0.000 3.040 1213 V HA 0.782 4.925 4.120 0.039 0.000 0.312 1213 V C -1.802 174.308 176.094 0.028 0.000 1.115 1213 V CA -0.486 61.669 62.300 -0.242 0.000 0.998 1213 V CB 1.839 33.536 31.823 -0.211 0.000 1.042 1213 V HN 0.982 nan 8.190 nan 0.000 0.433 1214 D N 1.111 121.467 120.400 -0.073 0.000 2.849 1214 D HA 0.411 5.074 4.640 0.039 0.000 0.314 1214 D C 0.935 177.274 176.300 0.064 0.000 1.210 1214 D CA -0.318 53.731 54.000 0.082 0.000 0.756 1214 D CB 0.266 41.163 40.800 0.163 0.000 1.222 1214 D HN 0.545 nan 8.370 nan 0.000 0.521 1215 I N 0.424 121.041 120.570 0.078 0.000 2.185 1215 I HA -0.278 3.915 4.170 0.039 0.000 0.246 1215 I C 2.372 178.649 176.117 0.266 0.000 1.088 1215 I CA 0.887 62.245 61.300 0.097 0.000 1.347 1215 I CB -0.081 37.870 38.000 -0.080 0.000 1.041 1215 I HN 0.383 nan 8.210 nan 0.000 0.415 1216 L N 0.687 122.114 121.223 0.339 0.000 2.046 1216 L HA -0.167 4.196 4.340 0.039 0.000 0.208 1216 L C 2.499 179.508 176.870 0.231 0.000 1.077 1216 L CA 1.975 57.038 54.840 0.372 0.000 0.747 1216 L CB -0.732 41.532 42.059 0.343 0.000 0.896 1216 L HN 0.316 nan 8.230 nan 0.000 0.432 1217 G N -0.388 108.516 108.800 0.174 0.000 2.408 1217 G HA2 -0.268 3.715 3.960 0.039 0.000 0.217 1217 G HA3 -0.268 3.715 3.960 0.039 0.000 0.217 1217 G C 1.480 176.462 174.900 0.137 0.000 1.150 1217 G CA 0.621 45.798 45.100 0.129 0.000 0.776 1217 G HN 0.292 nan 8.290 nan 0.000 0.542 1218 L N 0.809 122.118 121.223 0.144 0.000 1.994 1218 L HA -0.010 4.353 4.340 0.039 0.000 0.208 1218 L C 2.977 179.988 176.870 0.234 0.000 1.071 1218 L CA 1.479 56.426 54.840 0.178 0.000 0.745 1218 L CB -0.569 41.594 42.059 0.174 0.000 0.892 1218 L HN 0.084 nan 8.230 nan 0.000 0.431 1219 V N -1.441 118.620 119.914 0.245 0.000 2.427 1219 V HA -0.248 3.895 4.120 0.039 0.000 0.248 1219 V C 2.710 178.911 176.094 0.178 0.000 1.051 1219 V CA 1.760 64.203 62.300 0.239 0.000 1.048 1219 V CB -0.688 31.320 31.823 0.308 0.000 0.666 1219 V HN 0.574 nan 8.190 nan 0.000 0.456 1220 S N -0.524 115.268 115.700 0.152 0.000 2.399 1220 S HA -0.230 4.264 4.470 0.039 0.000 0.231 1220 S C 1.845 176.534 174.600 0.147 0.000 1.022 1220 S CA 1.750 60.014 58.200 0.106 0.000 0.983 1220 S CB -0.373 62.878 63.200 0.086 0.000 0.803 1220 S HN 0.734 nan 8.310 nan 0.000 0.480 1221 D N 1.063 121.580 120.400 0.196 0.000 2.077 1221 D HA -0.083 4.580 4.640 0.039 0.000 0.197 1221 D C 2.129 178.669 176.300 0.400 0.000 0.983 1221 D CA 1.546 55.712 54.000 0.277 0.000 0.841 1221 D CB -0.454 40.498 40.800 0.254 0.000 0.992 1221 D HN 0.389 nan 8.370 nan 0.000 0.450 1222 M N -0.136 119.680 119.600 0.361 0.000 2.113 1222 M HA -0.232 4.271 4.480 0.039 0.000 0.255 1222 M C 2.420 178.942 176.300 0.370 0.000 1.073 1222 M CA 1.691 57.213 55.300 0.370 0.000 1.091 1222 M CB -0.420 32.330 32.600 0.250 0.000 1.309 1222 M HN -0.019 nan 8.290 nan 0.000 0.407 1223 R N 0.153 120.809 120.500 0.260 0.000 2.303 1223 R HA -0.099 4.264 4.340 0.039 0.000 0.225 1223 R C 2.066 178.542 176.300 0.293 0.000 1.114 1223 R CA 1.464 57.699 56.100 0.226 0.000 1.007 1223 R CB -0.337 30.034 30.300 0.119 0.000 0.861 1223 R HN 0.509 nan 8.270 nan 0.000 0.471 1224 S N -1.687 114.171 115.700 0.264 0.000 2.556 1224 S HA 0.041 4.534 4.470 0.039 0.000 0.216 1224 S C 1.040 175.734 174.600 0.156 0.000 0.970 1224 S CA -0.143 58.105 58.200 0.080 0.000 0.912 1224 S CB 0.157 63.287 63.200 -0.117 0.000 0.790 1224 S HN 0.288 nan 8.310 nan 0.000 0.504 1225 Y N 1.326 121.947 120.300 0.534 0.000 2.498 1225 Y HA 0.505 5.077 4.550 0.037 0.000 0.259 1225 Y C 1.052 177.171 175.900 0.365 0.000 1.086 1225 Y CA -0.432 57.971 58.100 0.505 0.000 1.287 1225 Y CB 0.576 39.226 38.460 0.317 0.000 1.146 1225 Y HN 0.190 nan 8.280 nan 0.000 0.523 1226 R N 0.914 121.651 120.500 0.394 0.000 2.579 1226 R HA 0.341 4.705 4.340 0.039 0.000 0.260 1226 R C -1.127 175.125 176.300 -0.080 0.000 1.103 1226 R CA -0.670 55.360 56.100 -0.118 0.000 0.942 1226 R CB 1.176 31.435 30.300 -0.068 0.000 1.251 1226 R HN 0.138 nan 8.270 nan 0.000 0.450 1227 M N 1.934 121.311 119.600 -0.372 0.000 2.245 1227 M HA 0.267 4.770 4.480 0.039 0.000 0.330 1227 M C 0.173 176.439 176.300 -0.056 0.000 1.098 1227 M CA 0.539 55.775 55.300 -0.107 0.000 1.172 1227 M CB 1.001 33.498 32.600 -0.171 0.000 1.467 1227 M HN 0.761 nan 8.290 nan 0.000 0.454 1228 S N -0.558 115.139 115.700 -0.006 0.000 3.146 1228 S HA -0.106 4.387 4.470 0.039 0.000 0.285 1228 S C 0.195 174.815 174.600 0.033 0.000 1.293 1228 S CA 0.938 59.140 58.200 0.003 0.000 1.137 1228 S CB -1.553 61.636 63.200 -0.019 0.000 1.357 1228 S HN 0.797 nan 8.310 nan 0.000 0.678 1229 M N 1.564 121.191 119.600 0.044 0.000 2.501 1229 M HA 0.096 4.599 4.480 0.039 0.000 0.363 1229 M C 0.865 177.238 176.300 0.123 0.000 1.708 1229 M CA 0.927 56.267 55.300 0.067 0.000 1.078 1229 M CB -1.057 31.600 32.600 0.095 0.000 2.107 1229 M HN 0.435 nan 8.290 nan 0.000 0.466 1230 V N 3.499 123.494 119.914 0.136 0.000 4.436 1230 V HA -0.247 3.896 4.120 0.039 0.000 0.401 1230 V C 1.220 177.503 176.094 0.315 0.000 0.653 1230 V CA 0.995 63.439 62.300 0.241 0.000 1.676 1230 V CB -1.617 30.412 31.823 0.344 0.000 2.052 1230 V HN 1.001 nan 8.190 nan 0.000 0.484 1231 Q N 2.348 122.287 119.800 0.231 0.000 2.046 1231 Q HA -0.088 4.275 4.340 0.039 0.000 0.200 1231 Q C 1.235 177.476 176.000 0.402 0.000 0.975 1231 Q CA 1.789 57.750 55.803 0.264 0.000 0.836 1231 Q CB 0.290 29.114 28.738 0.144 0.000 0.896 1231 Q HN 1.101 nan 8.270 nan 0.000 0.428 1232 T N -2.346 112.343 114.554 0.226 0.000 2.907 1232 T HA 0.162 4.535 4.350 0.039 0.000 0.284 1232 T C 0.619 175.038 174.700 -0.467 0.000 1.004 1232 T CA -0.312 61.800 62.100 0.022 0.000 1.063 1232 T CB 1.724 70.611 68.868 0.033 0.000 0.992 1232 T HN 0.394 nan 8.240 nan 0.000 0.483 1233 E N 0.971 120.670 120.200 -0.835 0.000 2.160 1233 E HA -0.260 4.113 4.350 0.039 0.000 0.195 1233 E C 1.782 178.115 176.600 -0.445 0.000 0.991 1233 E CA 1.610 57.361 56.400 -1.083 0.000 0.810 1233 E CB -0.043 29.338 29.700 -0.531 0.000 0.742 1233 E HN 0.901 nan 8.360 nan 0.000 0.466 1234 E N 0.025 120.076 120.200 -0.248 0.000 2.106 1234 E HA -0.245 4.129 4.350 0.039 0.000 0.192 1234 E C 2.026 178.601 176.600 -0.043 0.000 0.984 1234 E CA 1.226 57.544 56.400 -0.138 0.000 0.806 1234 E CB 0.043 29.694 29.700 -0.082 0.000 0.750 1234 E HN 0.431 nan 8.360 nan 0.000 0.458 1235 Q N -0.824 118.988 119.800 0.021 0.000 2.187 1235 Q HA -0.152 4.211 4.340 0.039 0.000 0.199 1235 Q C 1.843 177.988 176.000 0.243 0.000 0.957 1235 Q CA 1.080 57.005 55.803 0.204 0.000 0.857 1235 Q CB -0.188 28.709 28.738 0.265 0.000 0.929 1235 Q HN 0.361 nan 8.270 nan 0.000 0.453 1236 Y N 1.145 121.421 120.300 -0.040 0.000 2.242 1236 Y HA -0.150 4.417 4.550 0.028 0.000 0.291 1236 Y C 1.665 177.634 175.900 0.114 0.000 1.137 1236 Y CA 1.078 59.215 58.100 0.062 0.000 1.181 1236 Y CB 0.015 38.441 38.460 -0.055 0.000 0.989 1236 Y HN 0.019 nan 8.280 nan 0.000 0.527 1237 I N -1.458 118.982 120.570 -0.217 0.000 2.406 1237 I HA -0.212 3.981 4.170 0.039 0.000 0.249 1237 I C 2.120 178.166 176.117 -0.118 0.000 1.122 1237 I CA 0.758 61.768 61.300 -0.483 0.000 1.431 1237 I CB -0.512 37.029 38.000 -0.765 0.000 1.087 1237 I HN 0.176 nan 8.210 nan 0.000 0.424 1238 F N 2.330 122.192 119.950 -0.147 0.000 2.120 1238 F HA -0.266 4.285 4.527 0.039 0.000 0.300 1238 F C 2.236 178.004 175.800 -0.054 0.000 1.095 1238 F CA 1.595 59.536 58.000 -0.098 0.000 1.249 1238 F CB -0.451 38.499 39.000 -0.084 0.000 0.995 1238 F HN -0.066 nan 8.300 nan 0.000 0.480 1239 I N -0.293 120.187 120.570 -0.150 0.000 2.194 1239 I HA -0.388 3.805 4.170 0.039 0.000 0.246 1239 I C 2.574 178.547 176.117 -0.241 0.000 1.093 1239 I CA 1.677 62.818 61.300 -0.266 0.000 1.355 1239 I CB -0.793 37.125 38.000 -0.137 0.000 1.046 1239 I HN 0.262 nan 8.210 nan 0.000 0.413 1240 H N 0.689 119.695 119.070 -0.107 0.000 2.353 1240 H HA -0.156 4.420 4.556 0.033 0.000 0.300 1240 H C 2.290 177.698 175.328 0.134 0.000 1.090 1240 H CA 1.447 57.584 56.048 0.149 0.000 1.327 1240 H CB -0.180 29.675 29.762 0.155 0.000 1.383 1240 H HN 0.519 nan 8.280 nan 0.000 0.508 1241 Q N 0.017 119.854 119.800 0.061 0.000 2.096 1241 Q HA -0.141 4.222 4.340 0.039 0.000 0.204 1241 Q C 2.717 178.637 176.000 -0.133 0.000 0.982 1241 Q CA 1.578 57.364 55.803 -0.028 0.000 0.850 1241 Q CB -0.205 28.489 28.738 -0.072 0.000 0.901 1241 Q HN 0.377 nan 8.270 nan 0.000 0.422 1242 C N 0.080 119.182 119.300 -0.330 0.000 2.425 1242 C HA -0.075 4.408 4.460 0.039 0.000 0.277 1242 C C 2.656 177.506 174.990 -0.234 0.000 1.280 1242 C CA 0.313 59.109 59.018 -0.370 0.000 1.744 1242 C CB -0.728 26.656 27.740 -0.594 0.000 1.989 1242 C HN 0.352 nan 8.230 nan 0.000 0.491 1243 V N 0.644 120.437 119.914 -0.203 0.000 2.828 1243 V HA -0.212 3.931 4.120 0.039 0.000 0.260 1243 V C 1.686 177.613 176.094 -0.278 0.000 1.101 1243 V CA 1.489 63.606 62.300 -0.305 0.000 1.123 1243 V CB -0.753 30.758 31.823 -0.520 0.000 0.704 1243 V HN 0.681 nan 8.190 nan 0.000 0.493 1244 Q N -0.343 119.398 119.800 -0.098 0.000 2.800 1244 Q HA 0.126 4.489 4.340 0.039 0.000 0.261 1244 Q C 1.177 177.163 176.000 -0.024 0.000 1.093 1244 Q CA 0.065 55.845 55.803 -0.039 0.000 0.943 1244 Q CB -0.114 28.573 28.738 -0.085 0.000 1.591 1244 Q HN 0.581 nan 8.270 nan 0.000 0.429 1245 L N -0.273 120.915 121.223 -0.059 0.000 2.567 1245 L HA 0.047 4.410 4.340 0.039 0.000 0.225 1245 L C 2.036 178.925 176.870 0.033 0.000 1.119 1245 L CA 0.180 55.004 54.840 -0.028 0.000 0.871 1245 L CB 0.049 42.046 42.059 -0.103 0.000 1.036 1245 L HN 0.466 nan 8.230 nan 0.000 0.459 1246 M N -1.230 118.398 119.600 0.047 0.000 2.374 1246 M HA -0.231 4.272 4.480 0.039 0.000 0.264 1246 M C 2.073 178.498 176.300 0.210 0.000 1.067 1246 M CA 1.649 57.002 55.300 0.088 0.000 1.103 1246 M CB -0.145 32.506 32.600 0.085 0.000 1.402 1246 M HN 0.362 nan 8.290 nan 0.000 0.444 1247 W N 0.882 122.166 121.300 -0.026 0.000 2.333 1247 W HA -0.289 4.394 4.660 0.038 0.000 0.316 1247 W C 2.088 178.597 176.519 -0.017 0.000 1.215 1247 W CA 1.468 58.808 57.345 -0.009 0.000 1.278 1247 W CB -0.290 29.169 29.460 -0.002 0.000 1.154 1247 W HN 0.303 nan 8.180 nan 0.000 0.486 1248 Q N 0.425 120.340 119.800 0.191 0.000 2.061 1248 Q HA -0.236 4.127 4.340 0.039 0.000 0.204 1248 Q C 2.140 178.142 176.000 0.003 0.000 0.984 1248 Q CA 2.150 57.992 55.803 0.064 0.000 0.846 1248 Q CB -0.640 28.128 28.738 0.049 0.000 0.902 1248 Q HN 0.139 nan 8.270 nan 0.000 0.421 1249 K N 0.452 120.857 120.400 0.008 0.000 1.987 1249 K HA -0.221 4.122 4.320 0.039 0.000 0.216 1249 K C 1.766 178.343 176.600 -0.039 0.000 1.051 1249 K CA 1.835 58.111 56.287 -0.018 0.000 0.942 1249 K CB -0.107 32.386 32.500 -0.011 0.000 0.722 1249 K HN 0.007 nan 8.250 nan 0.000 0.444 1250 K N 0.362 120.734 120.400 -0.048 0.000 2.362 1250 K HA -0.181 4.162 4.320 0.039 0.000 0.202 1250 K C 1.819 178.338 176.600 -0.135 0.000 1.045 1250 K CA 1.490 57.721 56.287 -0.095 0.000 0.936 1250 K CB 0.066 32.484 32.500 -0.137 0.000 0.747 1250 K HN 0.196 nan 8.250 nan 0.000 0.467 1251 K N 0.285 120.605 120.400 -0.133 0.000 2.167 1251 K HA -0.066 4.277 4.320 0.039 0.000 0.214 1251 K C 2.099 178.651 176.600 -0.079 0.000 1.024 1251 K CA 0.680 56.889 56.287 -0.130 0.000 0.951 1251 K CB -0.152 32.263 32.500 -0.141 0.000 0.907 1251 K HN 0.115 nan 8.250 nan 0.000 0.459 1252 Q N 0.822 120.588 119.800 -0.057 0.000 2.165 1252 Q HA -0.289 4.074 4.340 0.039 0.000 0.215 1252 Q C 1.137 177.112 176.000 -0.041 0.000 1.010 1252 Q CA 1.967 57.745 55.803 -0.041 0.000 0.896 1252 Q CB -0.904 27.814 28.738 -0.033 0.000 0.956 1252 Q HN 0.287 nan 8.270 nan 0.000 0.413 1253 Q N 0.000 119.773 119.800 -0.045 0.000 2.315 1253 Q HA 0.000 4.363 4.340 0.039 0.000 0.214 1253 Q CA 0.000 55.778 55.803 -0.041 0.000 1.022 1253 Q CB 0.000 28.716 28.738 -0.037 0.000 1.108 1253 Q HN 0.000 nan 8.270 nan 0.000 0.481