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 3kg8_1_A DATA FIRST_RESID 943 DATA SEQUENCE TKLHPLINQK FQSPLSKEIF FESYFSTENL PFLADHIVYE QVVVPGASHI DATA SEQUENCE SLLLAAASLT FAATECQIED ILFPQALAIP EQGVRTVQVV LTPQNNSFSF DATA SEQUENCE QVISFDDSLX XXXXXXXXXX XHISDWAVHA TGKLSVANAE QXXXPLEEIQ DATA SEQUENCE ARCSQKIDSA EIYQHLWDRQ IHLGQSFRWI EQVWLGEGEV LCQMKVPKTI DATA SEQUENCE LNTTKYQLHP TLVDSCFQSI IALVLDQSGN KNETFVPFSI DKFTFYNSSD DATA SEQUENCE NDLLWCYTCG SKDKQSGEKF KADIQLFDQH GQLVAQVIGF EGRKANPKIL DATA SEQUENCE LM 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 943 T HA 0.000 nan 4.350 nan 0.000 0.228 943 T C 0.000 174.729 174.700 0.049 0.000 1.109 943 T CA 0.000 62.124 62.100 0.040 0.000 1.349 943 T CB 0.000 68.896 68.868 0.047 0.000 0.612 944 K N 1.801 122.223 120.400 0.038 0.000 2.253 944 K HA 0.600 4.920 4.320 0.000 0.000 0.277 944 K C 1.162 177.780 176.600 0.030 0.000 1.053 944 K CA -0.739 55.571 56.287 0.038 0.000 0.892 944 K CB 0.682 33.196 32.500 0.023 0.000 1.102 944 K HN 0.206 nan 8.250 nan 0.000 0.469 945 L N 2.670 123.927 121.223 0.056 0.000 2.275 945 L HA -0.045 4.295 4.340 0.000 0.000 0.215 945 L C 0.914 177.830 176.870 0.076 0.000 1.119 945 L CA 0.724 55.605 54.840 0.069 0.000 0.790 945 L CB -0.343 41.780 42.059 0.106 0.000 0.919 945 L HN 0.633 nan 8.230 nan 0.000 0.443 946 H N -1.314 117.714 119.070 -0.070 0.000 3.140 946 H HA 0.113 4.669 4.556 0.000 0.000 0.336 946 H C -2.307 172.916 175.328 -0.176 0.000 1.142 946 H CA -0.979 54.979 56.048 -0.151 0.000 1.308 946 H CB 2.249 31.908 29.762 -0.171 0.000 1.970 946 H HN -0.337 nan 8.280 nan 0.000 0.521 947 P HA -0.076 nan 4.420 nan 0.000 0.222 947 P C 1.236 178.530 177.300 -0.010 0.000 1.142 947 P CA 0.863 63.828 63.100 -0.226 0.000 0.788 947 P CB 0.540 31.958 31.700 -0.469 0.000 0.767 948 L N -1.754 119.583 121.223 0.191 0.000 2.585 948 L HA 0.258 4.598 4.340 0.000 0.000 0.226 948 L C 1.097 178.019 176.870 0.087 0.000 1.113 948 L CA 0.101 55.018 54.840 0.128 0.000 0.876 948 L CB 0.149 42.274 42.059 0.111 0.000 1.072 948 L HN -0.153 nan 8.230 nan 0.000 0.468 949 I N -0.980 119.640 120.570 0.083 0.000 2.478 949 I HA 0.179 4.349 4.170 0.000 0.000 0.287 949 I C 0.043 176.196 176.117 0.060 0.000 1.042 949 I CA -0.397 60.935 61.300 0.052 0.000 1.067 949 I CB 1.974 39.985 38.000 0.018 0.000 1.233 949 I HN -0.101 nan 8.210 nan 0.000 0.431 950 N N 3.285 121.990 118.700 0.009 0.000 2.132 950 N HA -0.048 4.692 4.740 0.000 0.000 0.187 950 N C -0.003 175.544 175.510 0.060 0.000 1.038 950 N CA 0.961 54.027 53.050 0.026 0.000 0.846 950 N CB 0.211 38.682 38.487 -0.027 0.000 1.012 950 N HN 0.616 nan 8.380 nan 0.000 0.429 951 Q N -0.207 119.622 119.800 0.049 0.000 2.495 951 Q HA 0.392 4.732 4.340 0.000 0.000 0.287 951 Q C -1.344 174.709 176.000 0.089 0.000 1.078 951 Q CA -0.802 55.049 55.803 0.080 0.000 0.793 951 Q CB 2.279 31.067 28.738 0.083 0.000 1.459 951 Q HN -0.066 nan 8.270 nan 0.000 0.422 952 K N 0.981 121.397 120.400 0.027 0.000 2.221 952 K HA 0.572 4.892 4.320 0.000 0.000 0.258 952 K C -1.877 174.675 176.600 -0.081 0.000 0.944 952 K CA -0.576 55.592 56.287 -0.198 0.000 0.823 952 K CB 1.293 33.647 32.500 -0.243 0.000 1.113 952 K HN 0.577 nan 8.250 nan 0.000 0.431 953 F N 4.210 124.017 119.950 -0.239 0.000 2.529 953 F HA 0.302 4.829 4.527 0.000 0.000 0.320 953 F C -1.159 174.607 175.800 -0.057 0.000 1.118 953 F CA -0.212 57.722 58.000 -0.109 0.000 0.915 953 F CB 1.636 40.587 39.000 -0.082 0.000 1.161 953 F HN 0.612 nan 8.300 nan 0.000 0.445 954 Q N 3.580 122.809 119.800 -0.952 0.000 2.462 954 Q HA 0.697 5.037 4.340 0.000 0.000 0.285 954 Q C -1.983 173.566 176.000 -0.753 0.000 1.035 954 Q CA -1.084 54.361 55.803 -0.596 0.000 0.799 954 Q CB 2.255 30.803 28.738 -0.316 0.000 1.452 954 Q HN 0.591 nan 8.270 nan 0.000 0.404 955 S N 0.426 115.939 115.700 -0.311 0.000 2.533 955 S HA 0.466 4.936 4.470 0.000 0.000 0.271 955 S C -2.356 172.215 174.600 -0.047 0.000 1.143 955 S CA -1.101 56.999 58.200 -0.167 0.000 0.891 955 S CB 1.551 64.760 63.200 0.014 0.000 1.105 955 S HN 0.587 nan 8.310 nan 0.000 0.468 956 P HA -0.041 nan 4.420 nan 0.000 0.219 956 P C 0.645 177.957 177.300 0.019 0.000 1.144 956 P CA 0.883 63.979 63.100 -0.006 0.000 0.806 956 P CB 0.139 31.835 31.700 -0.007 0.000 0.771 957 L N -2.220 119.025 121.223 0.037 0.000 2.700 957 L HA 0.225 4.565 4.340 0.000 0.000 0.234 957 L C 0.675 177.594 176.870 0.082 0.000 1.156 957 L CA 0.317 55.189 54.840 0.054 0.000 0.946 957 L CB -0.197 41.895 42.059 0.056 0.000 1.216 957 L HN -0.196 nan 8.230 nan 0.000 0.493 958 S N -1.196 114.563 115.700 0.098 0.000 2.532 958 S HA 0.303 4.773 4.470 0.000 0.000 0.299 958 S C 0.977 175.636 174.600 0.099 0.000 1.105 958 S CA -0.642 57.645 58.200 0.144 0.000 1.018 958 S CB 1.402 64.767 63.200 0.276 0.000 1.021 958 S HN 0.128 nan 8.310 nan 0.000 0.483 959 K N 1.740 122.190 120.400 0.084 0.000 2.062 959 K HA 0.001 4.321 4.320 0.000 0.000 0.205 959 K C 0.600 177.221 176.600 0.035 0.000 1.051 959 K CA 0.981 57.300 56.287 0.053 0.000 0.941 959 K CB -0.036 32.491 32.500 0.043 0.000 0.719 959 K HN 0.786 nan 8.250 nan 0.000 0.440 960 E N 0.761 120.952 120.200 -0.014 0.000 2.283 960 E HA 0.220 4.570 4.350 0.000 0.000 0.267 960 E C -0.260 176.152 176.600 -0.313 0.000 1.045 960 E CA -0.414 55.868 56.400 -0.196 0.000 0.884 960 E CB 1.313 30.771 29.700 -0.403 0.000 1.106 960 E HN 0.052 nan 8.360 nan 0.000 0.408 961 I N 1.210 121.524 120.570 -0.427 0.000 2.404 961 I HA 0.317 4.487 4.170 0.000 0.000 0.293 961 I C -0.645 175.129 176.117 -0.572 0.000 0.992 961 I CA -0.780 60.282 61.300 -0.397 0.000 1.149 961 I CB 0.691 38.465 38.000 -0.376 0.000 1.315 961 I HN 0.330 nan 8.210 nan 0.000 0.446 962 F N 5.194 124.991 119.950 -0.253 0.000 2.480 962 F HA 0.592 5.119 4.527 0.000 0.000 0.329 962 F C -0.433 175.083 175.800 -0.474 0.000 1.091 962 F CA -0.626 57.263 58.000 -0.184 0.000 0.972 962 F CB 1.351 40.338 39.000 -0.022 0.000 1.150 962 F HN 0.141 nan 8.300 nan 0.000 0.467 963 F N 0.781 120.806 119.950 0.124 0.000 2.532 963 F HA 0.497 5.024 4.527 -0.000 0.000 0.321 963 F C -0.207 175.611 175.800 0.031 0.000 1.089 963 F CA -0.840 57.183 58.000 0.039 0.000 0.926 963 F CB 2.013 40.979 39.000 -0.058 0.000 1.168 963 F HN 0.408 nan 8.300 nan 0.000 0.459 964 E N 0.977 121.252 120.200 0.126 0.000 2.288 964 E HA 0.683 5.033 4.350 0.000 0.000 0.268 964 E C -1.539 174.938 176.600 -0.204 0.000 0.885 964 E CA -0.612 55.757 56.400 -0.052 0.000 0.767 964 E CB 2.106 31.750 29.700 -0.093 0.000 1.220 964 E HN 0.540 nan 8.360 nan 0.000 0.427 965 S N 2.522 118.000 115.700 -0.370 0.000 2.543 965 S HA 0.419 4.889 4.470 0.000 0.000 0.273 965 S C -2.070 172.332 174.600 -0.330 0.000 1.152 965 S CA -0.619 57.411 58.200 -0.283 0.000 0.910 965 S CB 0.454 63.737 63.200 0.137 0.000 1.105 965 S HN 0.428 nan 8.310 nan 0.000 0.465 966 Y N 3.304 123.731 120.300 0.212 0.000 2.369 966 Y HA 0.582 5.132 4.550 0.000 0.000 0.337 966 Y C -0.468 175.584 175.900 0.255 0.000 0.961 966 Y CA -1.051 57.150 58.100 0.169 0.000 1.186 966 Y CB 0.509 39.007 38.460 0.063 0.000 1.139 966 Y HN 0.505 nan 8.280 nan 0.000 0.494 967 F N 2.731 122.718 119.950 0.063 0.000 2.405 967 F HA 0.583 5.110 4.527 0.000 0.000 0.355 967 F C 0.383 176.180 175.800 -0.004 0.000 1.121 967 F CA -0.806 57.197 58.000 0.005 0.000 1.112 967 F CB 1.264 40.253 39.000 -0.020 0.000 1.126 967 F HN 0.462 nan 8.300 nan 0.000 0.481 968 S N -0.140 115.578 115.700 0.031 0.000 2.567 968 S HA 0.299 4.769 4.470 0.000 0.000 0.270 968 S C 0.457 175.004 174.600 -0.088 0.000 1.152 968 S CA -0.191 58.009 58.200 0.000 0.000 0.835 968 S CB 1.203 64.414 63.200 0.019 0.000 1.115 968 S HN 0.570 nan 8.310 nan 0.000 0.459 969 T N -1.327 113.187 114.554 -0.067 0.000 2.867 969 T HA -0.064 4.286 4.350 0.000 0.000 0.268 969 T C 1.344 176.000 174.700 -0.075 0.000 1.057 969 T CA 1.483 63.528 62.100 -0.091 0.000 1.136 969 T CB -0.670 68.170 68.868 -0.046 0.000 0.874 969 T HN 0.755 nan 8.240 nan 0.000 0.466 970 E N 1.209 121.383 120.200 -0.044 0.000 2.077 970 E HA -0.184 4.167 4.350 0.000 0.000 0.193 970 E C 1.928 178.508 176.600 -0.032 0.000 0.989 970 E CA 1.172 57.556 56.400 -0.027 0.000 0.800 970 E CB -0.058 29.634 29.700 -0.013 0.000 0.746 970 E HN 0.436 nan 8.360 nan 0.000 0.452 971 N N -0.254 118.418 118.700 -0.046 0.000 2.333 971 N HA 0.023 4.763 4.740 0.000 0.000 0.178 971 N C 0.095 175.549 175.510 -0.093 0.000 1.018 971 N CA 0.684 53.708 53.050 -0.042 0.000 0.882 971 N CB 0.399 38.876 38.487 -0.018 0.000 0.984 971 N HN 0.119 nan 8.380 nan 0.000 0.434 972 L N 0.923 122.022 121.223 -0.208 0.000 2.488 972 L HA 0.327 4.667 4.340 0.000 0.000 0.250 972 L C -1.896 174.692 176.870 -0.470 0.000 1.280 972 L CA -1.270 53.333 54.840 -0.396 0.000 0.929 972 L CB 2.396 44.017 42.059 -0.730 0.000 1.200 972 L HN -0.197 nan 8.230 nan 0.000 0.495 973 P HA -0.229 nan 4.420 nan 0.000 0.217 973 P C 1.564 178.844 177.300 -0.032 0.000 1.148 973 P CA 1.465 64.525 63.100 -0.066 0.000 0.828 973 P CB 0.029 31.752 31.700 0.039 0.000 0.783 974 F N -1.418 118.587 119.950 0.090 0.000 2.269 974 F HA -0.092 4.435 4.527 0.000 0.000 0.301 974 F C 1.802 177.777 175.800 0.292 0.000 1.082 974 F CA 0.814 58.910 58.000 0.159 0.000 1.360 974 F CB -1.921 37.148 39.000 0.116 0.000 1.041 974 F HN -0.206 nan 8.300 nan 0.000 0.512 975 L N 0.938 121.946 121.223 -0.359 0.000 2.189 975 L HA -0.215 4.125 4.340 0.000 0.000 0.214 975 L C 2.816 179.732 176.870 0.077 0.000 1.097 975 L CA 1.122 55.908 54.840 -0.089 0.000 0.764 975 L CB -1.060 40.837 42.059 -0.271 0.000 0.900 975 L HN 0.417 nan 8.230 nan 0.000 0.436 976 A N -1.103 121.750 122.820 0.055 0.000 2.216 976 A HA -0.153 4.167 4.320 0.000 0.000 0.214 976 A C 1.451 179.104 177.584 0.115 0.000 1.160 976 A CA 1.296 53.372 52.037 0.065 0.000 0.725 976 A CB -0.272 18.754 19.000 0.043 0.000 0.784 976 A HN 0.303 nan 8.150 nan 0.000 0.472 977 D N -1.529 119.008 120.400 0.229 0.000 2.363 977 D HA 0.068 4.708 4.640 0.000 0.000 0.214 977 D C -0.054 176.308 176.300 0.103 0.000 1.093 977 D CA 0.263 54.421 54.000 0.263 0.000 0.837 977 D CB -0.033 41.047 40.800 0.466 0.000 0.948 977 D HN 0.519 nan 8.370 nan 0.000 0.507 978 H N 1.437 120.402 119.070 -0.175 0.000 2.645 978 H HA 0.217 4.773 4.556 0.000 0.000 0.257 978 H C -0.984 174.210 175.328 -0.223 0.000 1.269 978 H CA -0.420 55.346 56.048 -0.470 0.000 1.409 978 H CB 0.077 29.283 29.762 -0.926 0.000 1.434 978 H HN -0.163 nan 8.280 nan 0.000 0.505 979 I N 5.538 125.911 120.570 -0.327 0.000 2.362 979 I HA 0.183 4.353 4.170 0.000 0.000 0.289 979 I C -0.002 175.893 176.117 -0.370 0.000 0.994 979 I CA -0.792 60.357 61.300 -0.252 0.000 1.158 979 I CB 1.606 39.491 38.000 -0.191 0.000 1.315 979 I HN 0.191 nan 8.210 nan 0.000 0.451 980 V N 7.256 127.022 119.914 -0.246 0.000 2.407 980 V HA 0.311 4.431 4.120 0.000 0.000 0.291 980 V C -0.474 175.582 176.094 -0.063 0.000 1.018 980 V CA -0.713 61.474 62.300 -0.187 0.000 0.842 980 V CB 0.856 32.653 31.823 -0.043 0.000 0.996 980 V HN 0.695 nan 8.190 nan 0.000 0.426 981 Y N 3.431 123.545 120.300 -0.310 0.000 3.108 981 Y HA -0.287 4.263 4.550 0.000 0.000 0.208 981 Y C 1.164 176.935 175.900 -0.216 0.000 1.245 981 Y CA 1.193 59.141 58.100 -0.253 0.000 1.171 981 Y CB -1.642 36.724 38.460 -0.157 0.000 1.331 981 Y HN 0.975 nan 8.280 nan 0.000 0.534 982 E N -2.608 117.461 120.200 -0.219 0.000 3.413 982 E HA -0.308 4.042 4.350 0.000 0.000 0.300 982 E C 0.035 176.588 176.600 -0.077 0.000 0.891 982 E CA 0.924 57.233 56.400 -0.152 0.000 1.050 982 E CB -0.756 28.885 29.700 -0.099 0.000 1.534 982 E HN 0.737 nan 8.360 nan 0.000 0.436 983 Q N 0.093 119.853 119.800 -0.066 0.000 2.375 983 Q HA 0.492 4.833 4.340 0.000 0.000 0.271 983 Q C -0.407 175.577 176.000 -0.026 0.000 1.074 983 Q CA -0.800 54.987 55.803 -0.027 0.000 0.808 983 Q CB 2.765 31.503 28.738 -0.000 0.000 1.327 983 Q HN -0.055 nan 8.270 nan 0.000 0.441 984 V N 2.615 122.526 119.914 -0.004 0.000 2.421 984 V HA 0.088 4.208 4.120 0.000 0.000 0.271 984 V C -0.210 175.909 176.094 0.043 0.000 1.031 984 V CA 0.051 62.361 62.300 0.017 0.000 1.032 984 V CB 0.420 32.253 31.823 0.017 0.000 1.009 984 V HN 0.450 nan 8.190 nan 0.000 0.477 985 V N 6.168 126.134 119.914 0.087 0.000 2.444 985 V HA 0.312 4.432 4.120 0.000 0.000 0.294 985 V C 0.005 176.161 176.094 0.104 0.000 1.022 985 V CA -0.690 61.672 62.300 0.104 0.000 0.850 985 V CB 2.137 34.033 31.823 0.122 0.000 0.992 985 V HN 0.593 nan 8.190 nan 0.000 0.426 986 V N 8.657 128.588 119.914 0.028 0.000 2.479 986 V HA 0.189 4.309 4.120 0.000 0.000 0.281 986 V C -1.626 174.367 176.094 -0.169 0.000 1.031 986 V CA -1.011 61.263 62.300 -0.043 0.000 1.038 986 V CB 0.861 32.696 31.823 0.021 0.000 0.981 986 V HN 0.735 nan 8.190 nan 0.000 0.478 987 P HA 0.151 nan 4.420 nan 0.000 0.274 987 P C 1.109 178.232 177.300 -0.294 0.000 1.231 987 P CA -0.119 62.784 63.100 -0.328 0.000 0.790 987 P CB 1.083 32.514 31.700 -0.447 0.000 0.951 988 G N 1.705 110.333 108.800 -0.287 0.000 2.485 988 G HA2 -0.311 3.649 3.960 0.000 0.000 0.221 988 G HA3 -0.311 3.649 3.960 0.000 0.000 0.221 988 G C 1.567 176.398 174.900 -0.115 0.000 1.115 988 G CA 0.946 45.781 45.100 -0.441 0.000 0.751 988 G HN 0.618 nan 8.290 nan 0.000 0.567 989 A N 0.597 123.408 122.820 -0.015 0.000 1.972 989 A HA -0.030 4.290 4.320 0.000 0.000 0.219 989 A C 2.637 180.144 177.584 -0.127 0.000 1.169 989 A CA 2.288 54.306 52.037 -0.031 0.000 0.635 989 A CB -0.686 18.205 19.000 -0.180 0.000 0.810 989 A HN 0.493 nan 8.150 nan 0.000 0.446 990 S N -0.971 114.628 115.700 -0.168 0.000 2.383 990 S HA -0.186 4.284 4.470 0.000 0.000 0.227 990 S C 1.973 176.510 174.600 -0.105 0.000 1.026 990 S CA 1.321 59.441 58.200 -0.134 0.000 0.981 990 S CB -0.629 62.536 63.200 -0.057 0.000 0.818 990 S HN 0.730 nan 8.310 nan 0.000 0.472 991 H N 1.317 120.438 119.070 0.086 0.000 2.389 991 H HA 0.036 4.592 4.556 0.000 0.000 0.299 991 H C 2.234 177.543 175.328 -0.032 0.000 1.081 991 H CA 1.367 57.457 56.048 0.071 0.000 1.345 991 H CB -0.500 29.372 29.762 0.184 0.000 1.393 991 H HN 0.397 nan 8.280 nan 0.000 0.520 992 I N 0.419 121.021 120.570 0.054 0.000 2.163 992 I HA -0.260 3.910 4.170 0.000 0.000 0.243 992 I C 2.628 178.574 176.117 -0.285 0.000 1.085 992 I CA 1.113 62.299 61.300 -0.191 0.000 1.347 992 I CB -0.878 36.913 38.000 -0.348 0.000 1.044 992 I HN 0.176 nan 8.210 nan 0.000 0.408 993 S N 0.732 116.298 115.700 -0.224 0.000 2.382 993 S HA -0.175 4.295 4.470 0.000 0.000 0.228 993 S C 1.960 176.439 174.600 -0.202 0.000 1.027 993 S CA 1.183 59.258 58.200 -0.209 0.000 0.991 993 S CB -0.264 62.834 63.200 -0.170 0.000 0.823 993 S HN 0.335 nan 8.310 nan 0.000 0.469 994 L N 1.069 122.206 121.223 -0.144 0.000 2.156 994 L HA 0.233 4.573 4.340 0.000 0.000 0.208 994 L C 1.931 178.603 176.870 -0.329 0.000 1.095 994 L CA 1.382 56.117 54.840 -0.174 0.000 0.770 994 L CB -0.396 41.674 42.059 0.018 0.000 0.914 994 L HN 0.337 nan 8.230 nan 0.000 0.439 995 L N -1.383 119.637 121.223 -0.338 0.000 2.156 995 L HA -0.165 4.175 4.340 0.000 0.000 0.208 995 L C 2.306 178.926 176.870 -0.416 0.000 1.095 995 L CA 0.866 55.433 54.840 -0.455 0.000 0.770 995 L CB -0.476 41.228 42.059 -0.592 0.000 0.914 995 L HN 0.247 nan 8.230 nan 0.000 0.439 996 L N -0.566 120.431 121.223 -0.376 0.000 2.141 996 L HA -0.147 4.193 4.340 0.000 0.000 0.209 996 L C 2.839 179.457 176.870 -0.422 0.000 1.094 996 L CA 0.924 55.542 54.840 -0.369 0.000 0.763 996 L CB -0.757 41.035 42.059 -0.445 0.000 0.908 996 L HN 0.239 nan 8.230 nan 0.000 0.437 997 A N 0.337 122.831 122.820 -0.543 0.000 1.855 997 A HA -0.125 4.195 4.320 0.000 0.000 0.215 997 A C 2.601 179.747 177.584 -0.731 0.000 1.191 997 A CA 1.576 53.124 52.037 -0.814 0.000 0.613 997 A CB -0.758 17.457 19.000 -1.309 0.000 0.829 997 A HN 0.352 nan 8.150 nan 0.000 0.442 998 A N 0.078 122.382 122.820 -0.859 0.000 1.892 998 A HA 0.011 4.331 4.320 0.000 0.000 0.218 998 A C 2.540 179.650 177.584 -0.790 0.000 1.188 998 A CA 2.692 53.960 52.037 -1.282 0.000 0.631 998 A CB -1.213 17.070 19.000 -1.194 0.000 0.822 998 A HN 1.186 nan 8.150 nan 0.000 0.447 999 A N 0.120 122.634 122.820 -0.509 0.000 1.908 999 A HA -0.123 4.197 4.320 0.000 0.000 0.218 999 A C 2.507 179.980 177.584 -0.185 0.000 1.181 999 A CA 2.553 54.399 52.037 -0.318 0.000 0.627 999 A CB -1.062 17.928 19.000 -0.017 0.000 0.818 999 A HN 1.177 nan 8.150 nan 0.000 0.445 1000 S N -0.386 115.221 115.700 -0.155 0.000 2.447 1000 S HA 0.001 4.471 4.470 0.000 0.000 0.233 1000 S C 1.601 176.180 174.600 -0.034 0.000 1.006 1000 S CA 1.333 59.513 58.200 -0.034 0.000 0.957 1000 S CB -0.511 62.674 63.200 -0.027 0.000 0.773 1000 S HN 0.446 nan 8.310 nan 0.000 0.507 1001 L N 0.609 121.764 121.223 -0.114 0.000 2.529 1001 L HA 0.142 4.482 4.340 0.000 0.000 0.223 1001 L C 2.283 179.150 176.870 -0.005 0.000 1.113 1001 L CA 0.747 55.580 54.840 -0.011 0.000 0.861 1001 L CB -0.340 41.772 42.059 0.088 0.000 1.012 1001 L HN 0.341 nan 8.230 nan 0.000 0.461 1002 T N -1.122 113.339 114.554 -0.154 0.000 3.045 1002 T HA 0.167 4.517 4.350 0.000 0.000 0.239 1002 T C 0.459 175.048 174.700 -0.185 0.000 1.008 1002 T CA 0.286 62.230 62.100 -0.259 0.000 1.143 1002 T CB 0.024 68.517 68.868 -0.625 0.000 0.894 1002 T HN -0.096 nan 8.240 nan 0.000 0.451 1003 F N 0.495 120.497 119.950 0.085 0.000 2.379 1003 F HA 0.600 5.127 4.527 0.000 0.000 0.332 1003 F C 1.489 177.335 175.800 0.076 0.000 1.096 1003 F CA -1.232 56.826 58.000 0.096 0.000 1.105 1003 F CB 0.990 40.050 39.000 0.100 0.000 1.189 1003 F HN 0.037 nan 8.300 nan 0.000 0.515 1004 A N 2.263 125.256 122.820 0.289 0.000 1.897 1004 A HA 0.244 4.564 4.320 0.000 0.000 0.215 1004 A C 1.330 179.016 177.584 0.169 0.000 1.181 1004 A CA 0.833 52.978 52.037 0.179 0.000 0.620 1004 A CB -0.790 18.290 19.000 0.133 0.000 0.821 1004 A HN 0.750 nan 8.150 nan 0.000 0.443 1005 A N -0.177 122.743 122.820 0.167 0.000 2.498 1005 A HA 0.380 4.700 4.320 0.000 0.000 0.239 1005 A C 1.500 179.180 177.584 0.160 0.000 1.068 1005 A CA 0.619 52.724 52.037 0.113 0.000 0.766 1005 A CB -0.042 18.976 19.000 0.031 0.000 1.003 1005 A HN 0.775 nan 8.150 nan 0.000 0.497 1006 T N 0.180 114.822 114.554 0.147 0.000 2.937 1006 T HA -0.034 4.316 4.350 0.000 0.000 0.260 1006 T C 0.630 175.485 174.700 0.258 0.000 1.051 1006 T CA 1.041 63.268 62.100 0.212 0.000 1.141 1006 T CB -0.346 68.636 68.868 0.191 0.000 0.879 1006 T HN 0.774 nan 8.240 nan 0.000 0.459 1007 E N 1.835 122.116 120.200 0.134 0.000 2.313 1007 E HA 0.433 4.783 4.350 0.000 0.000 0.276 1007 E C -0.098 176.547 176.600 0.076 0.000 1.031 1007 E CA -0.842 55.607 56.400 0.082 0.000 0.857 1007 E CB 0.874 30.568 29.700 -0.009 0.000 1.040 1007 E HN 0.643 nan 8.360 nan 0.000 0.408 1008 C N 1.265 120.635 119.300 0.117 0.000 3.173 1008 C HA 0.651 5.111 4.460 0.000 0.000 0.310 1008 C C -0.828 174.212 174.990 0.084 0.000 1.306 1008 C CA -0.897 58.170 59.018 0.082 0.000 1.426 1008 C CB 1.378 29.233 27.740 0.192 0.000 1.800 1008 C HN 0.946 nan 8.230 nan 0.000 0.470 1009 Q N 1.710 121.554 119.800 0.074 0.000 2.345 1009 Q HA 0.846 5.186 4.340 0.000 0.000 0.268 1009 Q C -1.431 174.673 176.000 0.174 0.000 1.054 1009 Q CA -0.671 55.200 55.803 0.113 0.000 0.835 1009 Q CB 1.952 30.726 28.738 0.060 0.000 1.339 1009 Q HN 0.796 nan 8.270 nan 0.000 0.447 1010 I N 1.279 121.984 120.570 0.225 0.000 2.418 1010 I HA 0.403 4.573 4.170 0.000 0.000 0.287 1010 I C -0.497 175.768 176.117 0.248 0.000 1.008 1010 I CA -0.549 60.897 61.300 0.243 0.000 1.104 1010 I CB 1.896 39.997 38.000 0.168 0.000 1.264 1010 I HN 0.649 nan 8.210 nan 0.000 0.438 1011 E N 4.381 124.715 120.200 0.224 0.000 2.277 1011 E HA 0.292 4.642 4.350 0.000 0.000 0.266 1011 E C -1.078 175.566 176.600 0.074 0.000 0.901 1011 E CA -0.787 55.696 56.400 0.137 0.000 0.782 1011 E CB 1.495 31.255 29.700 0.099 0.000 1.228 1011 E HN 0.514 nan 8.360 nan 0.000 0.424 1012 D N 1.244 121.660 120.400 0.027 0.000 2.689 1012 D HA -0.199 4.441 4.640 0.000 0.000 0.237 1012 D C -0.435 175.792 176.300 -0.123 0.000 1.148 1012 D CA 0.918 54.892 54.000 -0.045 0.000 0.656 1012 D CB -1.332 39.434 40.800 -0.056 0.000 1.050 1012 D HN 0.370 nan 8.370 nan 0.000 0.426 1013 I N 0.285 120.787 120.570 -0.114 0.000 2.556 1013 I HA 0.124 4.294 4.170 0.000 0.000 0.284 1013 I C 1.089 176.904 176.117 -0.503 0.000 1.114 1013 I CA 0.100 61.250 61.300 -0.249 0.000 1.418 1013 I CB 0.529 38.419 38.000 -0.183 0.000 1.394 1013 I HN -0.049 nan 8.210 nan 0.000 0.552 1014 L N 5.911 126.772 121.223 -0.604 0.000 2.333 1014 L HA 0.539 4.879 4.340 0.000 0.000 0.263 1014 L C -1.064 175.350 176.870 -0.760 0.000 1.014 1014 L CA -0.610 53.818 54.840 -0.686 0.000 0.820 1014 L CB 2.094 43.880 42.059 -0.454 0.000 1.352 1014 L HN 0.422 nan 8.230 nan 0.000 0.421 1015 F N 1.123 120.945 119.950 -0.213 0.000 2.453 1015 F HA 0.323 4.850 4.527 0.000 0.000 0.358 1015 F C -1.681 174.064 175.800 -0.091 0.000 1.129 1015 F CA -1.223 56.728 58.000 -0.081 0.000 1.200 1015 F CB 0.775 39.771 39.000 -0.007 0.000 1.431 1015 F HN 0.291 nan 8.300 nan 0.000 0.503 1016 P HA -0.127 nan 4.420 nan 0.000 0.218 1016 P C -0.271 177.051 177.300 0.037 0.000 1.149 1016 P CA 1.117 64.207 63.100 -0.016 0.000 0.817 1016 P CB 0.397 32.052 31.700 -0.075 0.000 0.785 1017 Q N -1.162 118.694 119.800 0.092 0.000 2.295 1017 Q HA 0.591 4.931 4.340 0.000 0.000 0.268 1017 Q C -1.626 174.556 176.000 0.302 0.000 1.010 1017 Q CA -0.853 55.025 55.803 0.125 0.000 0.856 1017 Q CB 1.981 30.728 28.738 0.014 0.000 1.349 1017 Q HN -0.021 nan 8.270 nan 0.000 0.412 1018 A N 2.516 125.475 122.820 0.232 0.000 2.371 1018 A HA 0.499 4.819 4.320 0.000 0.000 0.257 1018 A C -0.928 176.764 177.584 0.180 0.000 1.089 1018 A CA -0.392 51.770 52.037 0.208 0.000 0.794 1018 A CB 0.456 19.532 19.000 0.125 0.000 1.029 1018 A HN 0.593 nan 8.150 nan 0.000 0.488 1019 L N 2.278 123.488 121.223 -0.022 0.000 2.265 1019 L HA 0.668 5.008 4.340 0.000 0.000 0.289 1019 L C 0.164 177.011 176.870 -0.038 0.000 1.033 1019 L CA -0.018 54.686 54.840 -0.226 0.000 0.814 1019 L CB 0.709 42.404 42.059 -0.606 0.000 1.203 1019 L HN 0.763 nan 8.230 nan 0.000 0.423 1020 A N 6.526 129.353 122.820 0.012 0.000 2.318 1020 A HA 0.755 5.075 4.320 0.000 0.000 0.317 1020 A C -0.704 176.899 177.584 0.031 0.000 1.159 1020 A CA -0.484 51.572 52.037 0.030 0.000 0.799 1020 A CB 0.525 19.547 19.000 0.037 0.000 1.194 1020 A HN 0.696 nan 8.150 nan 0.000 0.479 1021 I N 4.592 125.183 120.570 0.034 0.000 2.330 1021 I HA 0.307 4.477 4.170 0.000 0.000 0.289 1021 I C -1.915 174.218 176.117 0.027 0.000 1.001 1021 I CA -2.035 59.288 61.300 0.038 0.000 1.193 1021 I CB 1.798 39.829 38.000 0.050 0.000 1.345 1021 I HN 0.491 nan 8.210 nan 0.000 0.461 1022 P HA 0.006 nan 4.420 nan 0.000 0.268 1022 P C -0.401 176.907 177.300 0.015 0.000 1.208 1022 P CA -0.170 62.941 63.100 0.019 0.000 0.777 1022 P CB 0.476 32.188 31.700 0.021 0.000 0.875 1023 E N 1.661 121.866 120.200 0.010 0.000 2.820 1023 E HA -0.167 4.183 4.350 0.000 0.000 0.251 1023 E C 0.491 177.096 176.600 0.007 0.000 0.944 1023 E CA 0.762 57.166 56.400 0.007 0.000 0.955 1023 E CB -0.271 29.432 29.700 0.005 0.000 0.904 1023 E HN 0.387 nan 8.360 nan 0.000 0.513 1024 Q N -0.587 119.216 119.800 0.005 0.000 2.439 1024 Q HA -0.233 4.107 4.340 0.000 0.000 0.247 1024 Q C 0.357 176.361 176.000 0.006 0.000 0.899 1024 Q CA 0.711 56.516 55.803 0.003 0.000 1.201 1024 Q CB -1.393 27.346 28.738 0.002 0.000 1.608 1024 Q HN 0.703 nan 8.270 nan 0.000 0.563 1025 G N -0.423 108.384 108.800 0.012 0.000 2.552 1025 G HA2 0.664 4.624 3.960 0.000 0.000 0.318 1025 G HA3 0.664 4.624 3.960 0.000 0.000 0.318 1025 G C -1.089 173.826 174.900 0.026 0.000 1.240 1025 G CA 0.118 45.228 45.100 0.017 0.000 1.002 1025 G HN 0.217 nan 8.290 nan 0.000 0.493 1026 V N -0.578 119.356 119.914 0.032 0.000 2.932 1026 V HA 0.758 4.878 4.120 0.000 0.000 0.307 1026 V C -1.153 174.971 176.094 0.050 0.000 1.147 1026 V CA -0.999 61.333 62.300 0.053 0.000 0.951 1026 V CB 2.083 33.931 31.823 0.042 0.000 1.031 1026 V HN 0.847 nan 8.190 nan 0.000 0.426 1027 R N 3.084 123.625 120.500 0.069 0.000 2.686 1027 R HA 0.599 4.939 4.340 0.000 0.000 0.286 1027 R C -0.845 175.440 176.300 -0.026 0.000 0.969 1027 R CA -0.754 55.345 56.100 -0.000 0.000 0.898 1027 R CB 2.288 32.584 30.300 -0.008 0.000 1.183 1027 R HN 0.732 nan 8.270 nan 0.000 0.456 1028 T N 2.026 116.441 114.554 -0.232 0.000 2.832 1028 T HA 0.227 4.577 4.350 0.000 0.000 0.296 1028 T C -0.139 174.284 174.700 -0.462 0.000 0.968 1028 T CA -0.195 61.702 62.100 -0.339 0.000 1.107 1028 T CB 0.880 69.335 68.868 -0.690 0.000 0.916 1028 T HN 0.119 nan 8.240 nan 0.000 0.517 1029 V N 4.806 124.537 119.914 -0.305 0.000 2.448 1029 V HA 0.383 4.503 4.120 0.000 0.000 0.295 1029 V C -0.222 175.794 176.094 -0.129 0.000 1.025 1029 V CA -0.808 61.324 62.300 -0.281 0.000 0.859 1029 V CB 1.730 33.185 31.823 -0.614 0.000 0.988 1029 V HN 0.827 nan 8.190 nan 0.000 0.431 1030 Q N 2.942 122.747 119.800 0.010 0.000 2.337 1030 Q HA 0.656 4.996 4.340 0.000 0.000 0.266 1030 Q C -1.202 174.876 176.000 0.129 0.000 1.023 1030 Q CA -0.795 55.079 55.803 0.118 0.000 0.829 1030 Q CB 2.976 31.856 28.738 0.237 0.000 1.306 1030 Q HN 0.572 nan 8.270 nan 0.000 0.449 1031 V N 2.620 122.628 119.914 0.156 0.000 2.407 1031 V HA 0.287 4.408 4.120 0.000 0.000 0.278 1031 V C -0.294 175.889 176.094 0.149 0.000 1.037 1031 V CA -0.608 61.774 62.300 0.136 0.000 0.900 1031 V CB 1.337 33.200 31.823 0.066 0.000 0.983 1031 V HN 0.501 nan 8.190 nan 0.000 0.459 1032 V N 6.870 126.827 119.914 0.072 0.000 2.350 1032 V HA 0.433 4.553 4.120 0.000 0.000 0.285 1032 V C -0.168 175.869 176.094 -0.094 0.000 1.014 1032 V CA -0.413 61.813 62.300 -0.123 0.000 0.831 1032 V CB 1.431 33.203 31.823 -0.085 0.000 1.000 1032 V HN 0.636 nan 8.190 nan 0.000 0.433 1033 L N 4.469 125.571 121.223 -0.201 0.000 2.282 1033 L HA 0.566 4.906 4.340 0.000 0.000 0.288 1033 L C 0.178 177.037 176.870 -0.017 0.000 1.033 1033 L CA -0.121 54.660 54.840 -0.100 0.000 0.807 1033 L CB 1.795 43.616 42.059 -0.396 0.000 1.209 1033 L HN 0.547 nan 8.230 nan 0.000 0.423 1034 T N 3.870 118.518 114.554 0.158 0.000 2.758 1034 T HA 0.361 4.711 4.350 0.000 0.000 0.285 1034 T C -2.508 172.360 174.700 0.280 0.000 0.981 1034 T CA -1.489 60.706 62.100 0.158 0.000 0.965 1034 T CB 1.596 70.500 68.868 0.060 0.000 0.927 1034 T HN 0.258 nan 8.240 nan 0.000 0.448 1035 P HA 0.224 nan 4.420 nan 0.000 0.268 1035 P C -0.204 177.048 177.300 -0.081 0.000 1.204 1035 P CA -0.249 62.823 63.100 -0.048 0.000 0.768 1035 P CB 0.658 32.339 31.700 -0.032 0.000 0.842 1036 Q N 1.528 121.228 119.800 -0.167 0.000 3.274 1036 Q HA 0.300 4.640 4.340 0.000 0.000 0.303 1036 Q C -0.317 175.609 176.000 -0.124 0.000 1.005 1036 Q CA -0.933 54.812 55.803 -0.097 0.000 0.831 1036 Q CB 0.055 28.762 28.738 -0.052 0.000 1.538 1036 Q HN 0.259 nan 8.270 nan 0.000 0.481 1037 N N 1.922 120.574 118.700 -0.080 0.000 2.416 1037 N HA -0.007 4.733 4.740 0.000 0.000 0.265 1037 N C -0.592 174.868 175.510 -0.084 0.000 1.195 1037 N CA 0.313 53.319 53.050 -0.073 0.000 0.943 1037 N CB -0.062 38.398 38.487 -0.045 0.000 1.115 1037 N HN 0.393 nan 8.380 nan 0.000 0.481 1038 N N 1.465 120.104 118.700 -0.102 0.000 2.714 1038 N HA -0.230 4.510 4.740 0.000 0.000 0.252 1038 N C -1.304 174.151 175.510 -0.092 0.000 1.014 1038 N CA 1.371 54.366 53.050 -0.092 0.000 0.735 1038 N CB -1.481 36.971 38.487 -0.059 0.000 0.924 1038 N HN 0.772 nan 8.380 nan 0.000 0.540 1039 S N -2.282 113.314 115.700 -0.173 0.000 2.688 1039 S HA 0.668 5.138 4.470 0.000 0.000 0.269 1039 S C -1.422 173.018 174.600 -0.267 0.000 1.060 1039 S CA -1.100 57.055 58.200 -0.075 0.000 0.844 1039 S CB 1.162 64.371 63.200 0.016 0.000 1.095 1039 S HN 0.024 nan 8.310 nan 0.000 0.466 1040 F N 1.851 121.906 119.950 0.176 0.000 2.540 1040 F HA 0.705 5.232 4.527 0.000 0.000 0.317 1040 F C 0.802 176.684 175.800 0.136 0.000 1.104 1040 F CA -0.317 57.763 58.000 0.134 0.000 0.913 1040 F CB 2.474 41.556 39.000 0.136 0.000 1.170 1040 F HN 0.826 nan 8.300 nan 0.000 0.450 1041 S N 2.535 118.375 115.700 0.233 0.000 2.586 1041 S HA 0.778 5.248 4.470 0.000 0.000 0.274 1041 S C -0.828 173.869 174.600 0.162 0.000 1.281 1041 S CA -0.537 57.719 58.200 0.092 0.000 1.035 1041 S CB 0.860 64.050 63.200 -0.017 0.000 0.962 1041 S HN 0.508 nan 8.310 nan 0.000 0.512 1042 F N -1.027 118.950 119.950 0.044 0.000 2.603 1042 F HA 0.773 5.300 4.527 0.000 0.000 0.317 1042 F C -0.813 174.982 175.800 -0.007 0.000 1.066 1042 F CA -1.183 56.824 58.000 0.010 0.000 0.941 1042 F CB 1.460 40.460 39.000 -0.000 0.000 1.291 1042 F HN 0.545 nan 8.300 nan 0.000 0.472 1043 Q N 1.731 121.674 119.800 0.238 0.000 2.285 1043 Q HA 0.595 4.935 4.340 0.000 0.000 0.269 1043 Q C -1.670 174.471 176.000 0.236 0.000 1.030 1043 Q CA -1.141 54.765 55.803 0.172 0.000 0.788 1043 Q CB 3.233 32.026 28.738 0.093 0.000 1.266 1043 Q HN 0.661 nan 8.270 nan 0.000 0.438 1044 V N 4.794 124.838 119.914 0.217 0.000 2.364 1044 V HA 0.486 4.606 4.120 0.000 0.000 0.272 1044 V C 0.021 176.169 176.094 0.090 0.000 1.036 1044 V CA -0.363 62.005 62.300 0.114 0.000 0.880 1044 V CB 0.454 32.294 31.823 0.028 0.000 0.991 1044 V HN 0.634 nan 8.190 nan 0.000 0.460 1045 I N 2.722 123.374 120.570 0.136 0.000 3.067 1045 I HA 1.021 5.191 4.170 0.000 0.000 0.312 1045 I C -0.142 176.117 176.117 0.238 0.000 1.073 1045 I CA -0.538 60.874 61.300 0.186 0.000 1.016 1045 I CB 2.628 40.806 38.000 0.297 0.000 1.227 1045 I HN 0.591 nan 8.210 nan 0.000 0.456 1046 S N 2.190 118.076 115.700 0.310 0.000 2.618 1046 S HA 0.894 5.364 4.470 0.000 0.000 0.277 1046 S C -0.997 173.838 174.600 0.392 0.000 1.138 1046 S CA -0.626 57.716 58.200 0.236 0.000 0.844 1046 S CB 1.959 65.317 63.200 0.263 0.000 1.127 1046 S HN 1.096 nan 8.310 nan 0.000 0.474 1047 F N -0.976 119.067 119.950 0.156 0.000 2.703 1047 F HA 0.630 5.157 4.527 0.000 0.000 0.308 1047 F C -1.232 174.632 175.800 0.106 0.000 1.126 1047 F CA -1.032 57.053 58.000 0.140 0.000 0.959 1047 F CB 0.583 39.664 39.000 0.134 0.000 1.297 1047 F HN 0.562 nan 8.300 nan 0.000 0.441 1048 D N 1.810 122.353 120.400 0.238 0.000 2.338 1048 D HA 0.097 4.737 4.640 0.000 0.000 0.255 1048 D C 0.304 176.730 176.300 0.210 0.000 1.237 1048 D CA 0.540 54.625 54.000 0.142 0.000 0.883 1048 D CB 1.205 42.077 40.800 0.119 0.000 1.087 1048 D HN 0.799 nan 8.370 nan 0.000 0.485 1049 D N 1.574 122.050 120.400 0.126 0.000 2.289 1049 D HA -0.033 4.607 4.640 0.000 0.000 0.207 1049 D C -0.185 176.174 176.300 0.099 0.000 0.966 1049 D CA 0.313 54.413 54.000 0.167 0.000 0.868 1049 D CB 0.411 41.261 40.800 0.082 0.000 0.943 1049 D HN 0.210 nan 8.370 nan 0.000 0.514 1050 S N 1.676 117.412 115.700 0.060 0.000 2.422 1050 S HA 0.217 4.687 4.470 0.000 0.000 0.283 1050 S C -0.151 174.475 174.600 0.044 0.000 1.163 1050 S CA -0.694 57.528 58.200 0.035 0.000 1.054 1050 S CB 1.255 64.466 63.200 0.018 0.000 0.967 1050 S HN 0.179 nan 8.310 nan 0.000 0.499 1065 I N 2.877 122.906 120.570 -0.902 0.000 2.390 1065 I HA 0.277 4.447 4.170 0.000 0.000 0.283 1065 I C 1.205 176.884 176.117 -0.730 0.000 1.016 1065 I CA 0.017 60.876 61.300 -0.735 0.000 1.151 1065 I CB 0.899 38.421 38.000 -0.796 0.000 1.293 1065 I HN 0.712 nan 8.210 nan 0.000 0.458 1066 S N 3.135 118.614 115.700 -0.367 0.000 2.499 1066 S HA 0.166 4.636 4.470 0.000 0.000 0.225 1066 S C 0.253 174.951 174.600 0.162 0.000 1.050 1066 S CA -0.070 58.076 58.200 -0.091 0.000 0.928 1066 S CB 0.059 63.237 63.200 -0.037 0.000 0.803 1066 S HN 0.598 nan 8.310 nan 0.000 0.506 1067 D N 1.671 122.168 120.400 0.162 0.000 2.391 1067 D HA 0.607 5.247 4.640 0.000 0.000 0.245 1067 D C -0.711 175.791 176.300 0.337 0.000 1.069 1067 D CA -0.508 53.596 54.000 0.174 0.000 0.831 1067 D CB 1.100 41.946 40.800 0.076 0.000 1.204 1067 D HN 0.543 nan 8.370 nan 0.000 0.503 1068 W N 1.116 122.417 121.300 0.001 0.000 3.059 1068 W HA 0.764 5.424 4.660 0.000 0.000 0.329 1068 W C -1.925 174.594 176.519 0.000 0.000 1.246 1068 W CA -1.367 56.011 57.345 0.055 0.000 1.190 1068 W CB 0.358 29.834 29.460 0.026 0.000 1.423 1068 W HN 0.437 nan 8.180 nan 0.000 0.571 1069 A N 1.114 123.992 122.820 0.098 0.000 2.454 1069 A HA 0.816 5.136 4.320 0.000 0.000 0.302 1069 A C -1.635 175.761 177.584 -0.314 0.000 1.079 1069 A CA -0.809 51.096 52.037 -0.219 0.000 0.731 1069 A CB 1.927 20.814 19.000 -0.188 0.000 1.299 1069 A HN 0.564 nan 8.150 nan 0.000 0.413 1070 V N 2.643 122.319 119.914 -0.397 0.000 2.398 1070 V HA 0.354 4.474 4.120 0.000 0.000 0.286 1070 V C 0.310 176.142 176.094 -0.437 0.000 1.026 1070 V CA -0.389 61.731 62.300 -0.300 0.000 0.868 1070 V CB 1.136 32.893 31.823 -0.109 0.000 0.982 1070 V HN 1.016 nan 8.190 nan 0.000 0.443 1071 H N 2.870 121.907 119.070 -0.055 0.000 2.729 1071 H HA 0.596 5.152 4.556 0.000 0.000 0.263 1071 H C 0.519 175.816 175.328 -0.051 0.000 0.961 1071 H CA 0.883 56.854 56.048 -0.128 0.000 1.217 1071 H CB 1.424 30.950 29.762 -0.393 0.000 1.447 1071 H HN 0.669 nan 8.280 nan 0.000 0.496 1072 A N 1.014 123.861 122.820 0.044 0.000 2.566 1072 A HA 0.546 4.866 4.320 0.000 0.000 0.297 1072 A C -0.442 177.180 177.584 0.064 0.000 1.059 1072 A CA -0.357 51.742 52.037 0.103 0.000 0.691 1072 A CB 1.477 20.645 19.000 0.280 0.000 1.282 1072 A HN 0.157 nan 8.150 nan 0.000 0.401 1073 T N -0.988 113.469 114.554 -0.162 0.000 2.896 1073 T HA 0.985 5.335 4.350 0.000 0.000 0.297 1073 T C 0.127 174.289 174.700 -0.898 0.000 1.108 1073 T CA -0.092 61.689 62.100 -0.532 0.000 1.004 1073 T CB 1.685 70.338 68.868 -0.359 0.000 1.159 1073 T HN 2.563 nan 8.240 nan 0.000 0.499 1074 G N 0.545 108.445 108.800 -1.500 0.000 2.367 1074 G HA2 0.444 4.404 3.960 0.000 0.000 0.272 1074 G HA3 0.444 4.404 3.960 0.000 0.000 0.272 1074 G C -2.005 172.423 174.900 -0.787 0.000 1.271 1074 G CA -0.566 43.977 45.100 -0.930 0.000 0.893 1074 G HN 0.888 nan 8.290 nan 0.000 0.485 1075 K N -0.700 119.665 120.400 -0.059 0.000 2.371 1075 K HA 0.818 5.138 4.320 0.000 0.000 0.251 1075 K C -1.687 175.167 176.600 0.424 0.000 0.934 1075 K CA -0.844 55.547 56.287 0.175 0.000 0.798 1075 K CB 2.186 34.732 32.500 0.075 0.000 1.204 1075 K HN 0.731 nan 8.250 nan 0.000 0.427 1076 L N 2.894 124.382 121.223 0.442 0.000 2.410 1076 L HA 0.630 4.970 4.340 0.000 0.000 0.270 1076 L C -1.471 175.644 176.870 0.408 0.000 0.983 1076 L CA 0.041 55.126 54.840 0.408 0.000 0.822 1076 L CB 1.983 44.277 42.059 0.391 0.000 1.285 1076 L HN 0.996 nan 8.230 nan 0.000 0.409 1077 S N 2.647 118.519 115.700 0.287 0.000 2.636 1077 S HA 0.587 5.057 4.470 0.000 0.000 0.268 1077 S C -1.050 173.452 174.600 -0.164 0.000 1.159 1077 S CA -0.897 57.360 58.200 0.095 0.000 0.815 1077 S CB 1.179 64.403 63.200 0.040 0.000 1.130 1077 S HN 0.382 nan 8.310 nan 0.000 0.471 1078 V N 1.668 121.312 119.914 -0.451 0.000 2.572 1078 V HA 0.600 4.720 4.120 0.000 0.000 0.291 1078 V C 0.988 176.983 176.094 -0.166 0.000 1.039 1078 V CA 0.445 62.496 62.300 -0.414 0.000 1.055 1078 V CB 0.324 31.868 31.823 -0.464 0.000 0.969 1078 V HN 1.182 nan 8.190 nan 0.000 0.482 1079 A N 5.219 127.976 122.820 -0.105 0.000 2.269 1079 A HA 0.646 4.966 4.320 0.000 0.000 0.327 1079 A C 0.068 177.639 177.584 -0.020 0.000 1.112 1079 A CA -0.888 51.116 52.037 -0.055 0.000 0.865 1079 A CB 0.541 19.490 19.000 -0.085 0.000 1.227 1079 A HN 0.789 nan 8.150 nan 0.000 0.498 1080 N N 0.078 118.792 118.700 0.023 0.000 2.493 1080 N HA 0.476 5.216 4.740 0.000 0.000 0.275 1080 N C 0.065 175.658 175.510 0.138 0.000 1.186 1080 N CA 0.133 53.217 53.050 0.055 0.000 0.978 1080 N CB 1.310 39.826 38.487 0.048 0.000 1.184 1080 N HN 0.793 nan 8.380 nan 0.000 0.487 1081 A N 0.452 123.341 122.820 0.116 0.000 2.407 1081 A HA 0.247 4.567 4.320 0.000 0.000 0.248 1081 A C -0.018 177.601 177.584 0.057 0.000 1.082 1081 A CA -0.043 52.075 52.037 0.135 0.000 0.785 1081 A CB 0.211 19.244 19.000 0.055 0.000 1.020 1081 A HN 0.682 nan 8.150 nan 0.000 0.489 1082 E N 1.313 121.451 120.200 -0.102 0.000 2.409 1082 E HA 0.194 4.544 4.350 0.000 0.000 0.259 1082 E C -0.706 175.739 176.600 -0.258 0.000 0.932 1082 E CA -0.240 56.053 56.400 -0.178 0.000 0.809 1082 E CB 1.278 30.887 29.700 -0.152 0.000 1.341 1082 E HN 0.827 nan 8.360 nan 0.000 0.405 1088 L N 1.983 122.830 121.223 -0.626 0.000 2.095 1088 L HA -0.059 4.281 4.340 0.000 0.000 0.204 1088 L C 2.088 178.597 176.870 -0.603 0.000 1.080 1088 L CA 1.788 56.151 54.840 -0.796 0.000 0.759 1088 L CB -0.280 41.242 42.059 -0.895 0.000 0.914 1088 L HN 0.526 nan 8.230 nan 0.000 0.439 1089 E N -0.832 119.098 120.200 -0.450 0.000 2.118 1089 E HA -0.273 4.077 4.350 0.000 0.000 0.195 1089 E C 1.799 178.202 176.600 -0.328 0.000 0.992 1089 E CA 1.281 57.462 56.400 -0.364 0.000 0.804 1089 E CB -0.634 28.910 29.700 -0.260 0.000 0.741 1089 E HN 0.538 nan 8.360 nan 0.000 0.458 1090 E N 0.872 120.891 120.200 -0.302 0.000 2.072 1090 E HA -0.055 4.295 4.350 0.000 0.000 0.191 1090 E C 2.356 178.778 176.600 -0.297 0.000 0.985 1090 E CA 0.484 56.731 56.400 -0.254 0.000 0.801 1090 E CB -0.165 29.411 29.700 -0.208 0.000 0.750 1090 E HN 0.365 nan 8.360 nan 0.000 0.452 1091 I N 1.007 121.335 120.570 -0.403 0.000 2.179 1091 I HA -0.315 3.855 4.170 0.000 0.000 0.242 1091 I C 2.530 178.424 176.117 -0.371 0.000 1.088 1091 I CA 1.188 62.210 61.300 -0.463 0.000 1.357 1091 I CB -0.292 37.310 38.000 -0.663 0.000 1.051 1091 I HN 0.076 nan 8.210 nan 0.000 0.409 1092 Q N 0.504 120.033 119.800 -0.452 0.000 2.181 1092 Q HA -0.201 4.139 4.340 0.000 0.000 0.205 1092 Q C 2.404 178.193 176.000 -0.353 0.000 0.980 1092 Q CA 1.634 57.145 55.803 -0.487 0.000 0.862 1092 Q CB -0.258 28.113 28.738 -0.611 0.000 0.905 1092 Q HN 0.616 nan 8.270 nan 0.000 0.429 1093 A N 1.148 123.804 122.820 -0.273 0.000 1.872 1093 A HA -0.148 4.172 4.320 0.000 0.000 0.214 1093 A C 1.980 179.486 177.584 -0.129 0.000 1.187 1093 A CA 1.003 52.929 52.037 -0.185 0.000 0.614 1093 A CB -0.273 18.632 19.000 -0.159 0.000 0.826 1093 A HN 0.184 nan 8.150 nan 0.000 0.442 1094 R N -0.965 119.461 120.500 -0.124 0.000 2.081 1094 R HA -0.083 4.257 4.340 0.000 0.000 0.235 1094 R C 0.088 176.384 176.300 -0.007 0.000 1.131 1094 R CA 1.011 57.077 56.100 -0.057 0.000 0.960 1094 R CB -0.554 29.714 30.300 -0.053 0.000 0.856 1094 R HN 0.466 nan 8.270 nan 0.000 0.436 1095 C N 1.516 120.806 119.300 -0.017 0.000 2.227 1095 C HA 0.208 4.668 4.460 0.000 0.000 0.333 1095 C C 1.453 176.482 174.990 0.066 0.000 1.145 1095 C CA -0.581 58.487 59.018 0.082 0.000 1.643 1095 C CB 0.157 27.987 27.740 0.149 0.000 2.185 1095 C HN 0.471 nan 8.230 nan 0.000 0.497 1096 S N 1.154 116.935 115.700 0.135 0.000 2.593 1096 S HA 0.057 4.527 4.470 0.000 0.000 0.235 1096 S C 0.461 175.233 174.600 0.287 0.000 1.059 1096 S CA -0.104 58.190 58.200 0.157 0.000 0.953 1096 S CB -0.188 63.051 63.200 0.066 0.000 0.897 1096 S HN 0.794 nan 8.310 nan 0.000 0.507 1097 Q N 2.582 122.523 119.800 0.235 0.000 2.402 1097 Q HA 0.246 4.586 4.340 0.000 0.000 0.238 1097 Q C -0.525 175.562 176.000 0.146 0.000 1.126 1097 Q CA -0.175 55.730 55.803 0.170 0.000 0.904 1097 Q CB 0.298 29.099 28.738 0.106 0.000 1.357 1097 Q HN 0.314 nan 8.270 nan 0.000 0.491 1098 K N 4.863 125.323 120.400 0.100 0.000 2.412 1098 K HA 0.162 4.482 4.320 0.000 0.000 0.281 1098 K C -0.262 176.248 176.600 -0.150 0.000 1.027 1098 K CA -0.039 56.141 56.287 -0.178 0.000 0.989 1098 K CB 0.318 32.734 32.500 -0.140 0.000 0.935 1098 K HN 0.661 nan 8.250 nan 0.000 0.475 1099 I N -0.426 120.010 120.570 -0.222 0.000 2.892 1099 I HA 0.397 4.567 4.170 0.000 0.000 0.306 1099 I C -0.647 175.361 176.117 -0.182 0.000 1.078 1099 I CA -1.215 59.997 61.300 -0.147 0.000 1.032 1099 I CB 1.801 39.746 38.000 -0.091 0.000 1.229 1099 I HN 0.415 nan 8.210 nan 0.000 0.435 1100 D N 2.550 122.877 120.400 -0.123 0.000 2.383 1100 D HA 0.103 4.743 4.640 0.000 0.000 0.252 1100 D C 1.269 177.497 176.300 -0.121 0.000 1.166 1100 D CA 0.255 54.189 54.000 -0.111 0.000 0.879 1100 D CB 1.589 42.348 40.800 -0.068 0.000 1.164 1100 D HN 0.699 nan 8.370 nan 0.000 0.462 1101 S N 3.160 118.782 115.700 -0.130 0.000 2.419 1101 S HA -0.208 4.262 4.470 0.000 0.000 0.235 1101 S C 2.040 176.539 174.600 -0.169 0.000 1.019 1101 S CA 0.805 58.899 58.200 -0.176 0.000 0.982 1101 S CB -0.331 62.812 63.200 -0.094 0.000 0.789 1101 S HN 0.537 nan 8.310 nan 0.000 0.490 1102 A N 2.112 124.920 122.820 -0.020 0.000 1.986 1102 A HA -0.183 4.137 4.320 0.000 0.000 0.220 1102 A C 2.189 179.779 177.584 0.009 0.000 1.171 1102 A CA 1.627 53.697 52.037 0.054 0.000 0.640 1102 A CB -0.677 18.336 19.000 0.021 0.000 0.811 1102 A HN 0.674 nan 8.150 nan 0.000 0.451 1103 E N -0.391 119.785 120.200 -0.040 0.000 2.110 1103 E HA -0.175 4.175 4.350 0.000 0.000 0.193 1103 E C 1.894 178.486 176.600 -0.013 0.000 0.988 1103 E CA 1.281 57.672 56.400 -0.016 0.000 0.804 1103 E CB -0.309 29.373 29.700 -0.029 0.000 0.745 1103 E HN 0.755 nan 8.360 nan 0.000 0.458 1104 I N 0.278 120.760 120.570 -0.146 0.000 2.202 1104 I HA -0.270 3.901 4.170 0.000 0.000 0.242 1104 I C 2.120 178.211 176.117 -0.043 0.000 1.091 1104 I CA 1.168 62.356 61.300 -0.187 0.000 1.368 1104 I CB -0.332 37.421 38.000 -0.411 0.000 1.058 1104 I HN 0.080 nan 8.210 nan 0.000 0.410 1105 Y N 0.513 120.880 120.300 0.111 0.000 2.293 1105 Y HA -0.232 4.318 4.550 0.000 0.000 0.291 1105 Y C 2.668 178.677 175.900 0.182 0.000 1.137 1105 Y CA 0.953 59.141 58.100 0.147 0.000 1.202 1105 Y CB -0.913 37.607 38.460 0.102 0.000 0.990 1105 Y HN 0.173 nan 8.280 nan 0.000 0.537 1106 Q N -0.230 119.713 119.800 0.239 0.000 2.050 1106 Q HA -0.214 4.126 4.340 0.000 0.000 0.202 1106 Q C 2.191 178.328 176.000 0.228 0.000 0.980 1106 Q CA 2.101 58.014 55.803 0.184 0.000 0.840 1106 Q CB -0.532 28.256 28.738 0.083 0.000 0.898 1106 Q HN 0.663 nan 8.270 nan 0.000 0.424 1107 H N -0.723 118.414 119.070 0.112 0.000 2.319 1107 H HA -0.121 4.436 4.556 0.000 0.000 0.297 1107 H C 1.682 177.087 175.328 0.129 0.000 1.097 1107 H CA 2.084 58.190 56.048 0.097 0.000 1.285 1107 H CB -0.116 29.683 29.762 0.060 0.000 1.368 1107 H HN 0.290 nan 8.280 nan 0.000 0.495 1108 L N -0.773 120.660 121.223 0.351 0.000 2.027 1108 L HA -0.192 4.148 4.340 0.000 0.000 0.206 1108 L C 2.551 179.546 176.870 0.208 0.000 1.074 1108 L CA 0.998 56.006 54.840 0.279 0.000 0.745 1108 L CB -0.655 41.588 42.059 0.307 0.000 0.898 1108 L HN 0.542 nan 8.230 nan 0.000 0.433 1109 W N 1.862 123.214 121.300 0.087 0.000 2.318 1109 W HA -0.262 4.398 4.660 -0.000 0.000 0.313 1109 W C 1.954 178.497 176.519 0.039 0.000 1.221 1109 W CA 1.992 59.367 57.345 0.048 0.000 1.266 1109 W CB -0.181 29.244 29.460 -0.058 0.000 1.150 1109 W HN 0.298 nan 8.180 nan 0.000 0.496 1110 D N -0.118 120.414 120.400 0.221 0.000 2.263 1110 D HA -0.135 4.505 4.640 0.000 0.000 0.208 1110 D C 1.862 178.137 176.300 -0.041 0.000 0.971 1110 D CA 1.216 55.266 54.000 0.083 0.000 0.867 1110 D CB -0.305 40.515 40.800 0.033 0.000 0.929 1110 D HN 0.145 nan 8.370 nan 0.000 0.492 1111 R N 0.211 120.666 120.500 -0.074 0.000 2.334 1111 R HA 0.100 4.441 4.340 0.000 0.000 0.220 1111 R C 0.120 176.285 176.300 -0.226 0.000 0.917 1111 R CA 0.079 56.116 56.100 -0.105 0.000 1.073 1111 R CB 0.166 30.433 30.300 -0.055 0.000 1.056 1111 R HN -0.123 nan 8.270 nan 0.000 0.506 1112 Q N -1.199 118.400 119.800 -0.333 0.000 2.493 1112 Q HA -0.184 4.156 4.340 0.000 0.000 0.260 1112 Q C -0.708 174.920 176.000 -0.620 0.000 0.873 1112 Q CA 0.891 56.276 55.803 -0.698 0.000 1.150 1112 Q CB -2.585 25.378 28.738 -1.291 0.000 1.393 1112 Q HN 0.397 nan 8.270 nan 0.000 0.607 1113 I N 2.372 122.763 120.570 -0.298 0.000 2.313 1113 I HA 0.135 4.305 4.170 0.000 0.000 0.286 1113 I C 0.095 176.121 176.117 -0.152 0.000 1.091 1113 I CA -0.595 60.555 61.300 -0.250 0.000 1.216 1113 I CB 0.373 38.307 38.000 -0.110 0.000 1.434 1113 I HN -0.052 nan 8.210 nan 0.000 0.487 1114 H N 6.729 125.471 119.070 -0.546 0.000 2.872 1114 H HA 0.376 4.932 4.556 0.000 0.000 0.273 1114 H C -0.205 174.993 175.328 -0.216 0.000 1.205 1114 H CA -0.539 55.129 56.048 -0.633 0.000 1.342 1114 H CB 0.355 29.532 29.762 -0.975 0.000 1.469 1114 H HN 0.410 nan 8.280 nan 0.000 0.487 1115 L N 2.909 124.219 121.223 0.145 0.000 2.281 1115 L HA 0.310 4.650 4.340 0.000 0.000 0.285 1115 L C 1.396 178.381 176.870 0.192 0.000 1.074 1115 L CA -0.478 54.433 54.840 0.118 0.000 0.817 1115 L CB 0.928 43.089 42.059 0.170 0.000 1.168 1115 L HN 0.623 nan 8.230 nan 0.000 0.434 1116 G N 1.388 110.300 108.800 0.186 0.000 2.563 1116 G HA2 0.058 4.018 3.960 0.000 0.000 0.283 1116 G HA3 0.058 4.018 3.960 0.000 0.000 0.283 1116 G C 0.486 175.462 174.900 0.127 0.000 1.309 1116 G CA -0.289 44.912 45.100 0.168 0.000 1.022 1116 G HN 0.751 nan 8.290 nan 0.000 0.501 1117 Q N -0.774 119.065 119.800 0.064 0.000 2.077 1117 Q HA -0.202 4.138 4.340 0.000 0.000 0.206 1117 Q C 2.608 178.606 176.000 -0.004 0.000 0.989 1117 Q CA 2.576 58.372 55.803 -0.013 0.000 0.853 1117 Q CB -0.263 28.454 28.738 -0.034 0.000 0.907 1117 Q HN 0.612 nan 8.270 nan 0.000 0.418 1118 S N -1.165 114.580 115.700 0.075 0.000 2.481 1118 S HA -0.051 4.419 4.470 0.000 0.000 0.231 1118 S C 1.146 175.761 174.600 0.025 0.000 0.996 1118 S CA 0.368 58.566 58.200 -0.002 0.000 0.942 1118 S CB -0.224 63.000 63.200 0.040 0.000 0.768 1118 S HN 0.406 nan 8.310 nan 0.000 0.520 1119 F N 1.921 121.957 119.950 0.142 0.000 2.692 1119 F HA 0.373 4.900 4.527 0.000 0.000 0.303 1119 F C 1.171 177.107 175.800 0.228 0.000 1.114 1119 F CA -0.342 57.798 58.000 0.234 0.000 1.361 1119 F CB 0.232 39.381 39.000 0.247 0.000 1.063 1119 F HN -0.026 nan 8.300 nan 0.000 0.550 1120 R N -0.662 119.953 120.500 0.191 0.000 2.790 1120 R HA 0.081 4.421 4.340 0.000 0.000 0.274 1120 R C -0.112 176.285 176.300 0.162 0.000 1.334 1120 R CA -0.325 55.805 56.100 0.049 0.000 1.543 1120 R CB -0.144 29.902 30.300 -0.423 0.000 1.154 1120 R HN 0.280 nan 8.270 nan 0.000 0.601 1121 W N 0.918 122.261 121.300 0.071 0.000 2.494 1121 W HA 0.132 4.792 4.660 0.000 0.000 0.286 1121 W C 0.784 177.344 176.519 0.069 0.000 1.218 1121 W CA -0.035 57.320 57.345 0.018 0.000 1.313 1121 W CB 0.127 29.572 29.460 -0.026 0.000 1.105 1121 W HN 0.226 nan 8.180 nan 0.000 0.561 1122 I N 2.376 123.186 120.570 0.400 0.000 2.664 1122 I HA -0.123 4.047 4.170 0.000 0.000 0.284 1122 I C 1.433 177.659 176.117 0.183 0.000 1.154 1122 I CA 0.659 62.102 61.300 0.238 0.000 1.402 1122 I CB 0.648 38.726 38.000 0.131 0.000 1.395 1122 I HN 0.051 nan 8.210 nan 0.000 0.545 1123 E N 4.970 125.218 120.200 0.081 0.000 2.244 1123 E HA 0.141 4.491 4.350 0.000 0.000 0.196 1123 E C 0.095 176.666 176.600 -0.048 0.000 0.939 1123 E CA 0.584 56.999 56.400 0.026 0.000 0.884 1123 E CB 0.645 30.341 29.700 -0.007 0.000 0.850 1123 E HN 0.654 nan 8.360 nan 0.000 0.481 1124 Q N 0.139 119.880 119.800 -0.097 0.000 2.379 1124 Q HA 0.489 4.829 4.340 0.000 0.000 0.278 1124 Q C -1.430 174.330 176.000 -0.399 0.000 1.068 1124 Q CA -0.537 55.063 55.803 -0.338 0.000 0.816 1124 Q CB 3.409 31.878 28.738 -0.448 0.000 1.387 1124 Q HN -0.153 nan 8.270 nan 0.000 0.413 1125 V N 1.230 120.771 119.914 -0.621 0.000 2.686 1125 V HA 0.516 4.636 4.120 0.000 0.000 0.306 1125 V C -1.298 174.502 176.094 -0.489 0.000 1.065 1125 V CA -0.723 61.382 62.300 -0.325 0.000 0.894 1125 V CB 1.907 33.625 31.823 -0.174 0.000 1.004 1125 V HN 0.670 nan 8.190 nan 0.000 0.424 1126 W N 5.011 126.369 121.300 0.097 0.000 2.554 1126 W HA 0.591 5.251 4.660 0.000 0.000 0.324 1126 W C -0.782 175.784 176.519 0.079 0.000 1.018 1126 W CA -0.737 56.657 57.345 0.082 0.000 1.243 1126 W CB 1.899 31.412 29.460 0.087 0.000 1.345 1126 W HN 0.359 nan 8.180 nan 0.000 0.441 1127 L N 2.834 124.193 121.223 0.226 0.000 2.350 1127 L HA 0.602 4.942 4.340 0.000 0.000 0.275 1127 L C 0.959 177.933 176.870 0.174 0.000 1.099 1127 L CA 0.114 55.054 54.840 0.167 0.000 0.808 1127 L CB 0.795 42.914 42.059 0.099 0.000 1.149 1127 L HN 0.522 nan 8.230 nan 0.000 0.442 1128 G N 1.230 110.125 108.800 0.157 0.000 3.175 1128 G HA2 0.288 4.248 3.960 0.000 0.000 0.153 1128 G HA3 0.288 4.248 3.960 0.000 0.000 0.153 1128 G C -0.963 173.998 174.900 0.102 0.000 1.216 1128 G CA -0.234 44.942 45.100 0.127 0.000 0.943 1128 G HN 0.506 nan 8.290 nan 0.000 0.611 1129 E N 0.012 120.267 120.200 0.092 0.000 2.081 1129 E HA 0.457 4.807 4.350 0.000 0.000 0.281 1129 E C 0.824 177.472 176.600 0.080 0.000 0.986 1129 E CA 0.324 56.769 56.400 0.075 0.000 0.796 1129 E CB 0.246 29.982 29.700 0.059 0.000 1.085 1129 E HN 1.203 nan 8.360 nan 0.000 0.398 1130 G N 4.317 113.163 108.800 0.077 0.000 2.296 1130 G HA2 -0.323 3.637 3.960 0.000 0.000 0.282 1130 G HA3 -0.323 3.637 3.960 0.000 0.000 0.282 1130 G C -0.208 174.736 174.900 0.073 0.000 1.014 1130 G CA 1.066 46.211 45.100 0.074 0.000 0.812 1130 G HN 0.659 nan 8.290 nan 0.000 0.508 1131 E N -2.320 117.935 120.200 0.093 0.000 2.390 1131 E HA 0.728 5.078 4.350 0.000 0.000 0.277 1131 E C -1.532 175.145 176.600 0.128 0.000 0.939 1131 E CA -1.091 55.356 56.400 0.080 0.000 0.769 1131 E CB 2.469 32.293 29.700 0.207 0.000 1.251 1131 E HN 0.755 nan 8.360 nan 0.000 0.450 1132 V N 2.200 122.173 119.914 0.099 0.000 2.888 1132 V HA 0.561 4.681 4.120 0.000 0.000 0.309 1132 V C -1.899 174.373 176.094 0.297 0.000 1.114 1132 V CA -0.788 61.619 62.300 0.178 0.000 0.940 1132 V CB 1.895 33.775 31.823 0.094 0.000 1.021 1132 V HN 0.715 nan 8.190 nan 0.000 0.426 1133 L N 7.071 128.533 121.223 0.397 0.000 2.305 1133 L HA 0.797 5.137 4.340 0.000 0.000 0.284 1133 L C -0.683 176.525 176.870 0.563 0.000 1.013 1133 L CA 0.229 55.367 54.840 0.496 0.000 0.819 1133 L CB 1.079 43.392 42.059 0.423 0.000 1.227 1133 L HN 0.821 nan 8.230 nan 0.000 0.417 1134 C N 3.905 123.499 119.300 0.489 0.000 2.382 1134 C HA 0.501 4.961 4.460 0.000 0.000 0.327 1134 C C -0.109 175.149 174.990 0.445 0.000 1.250 1134 C CA -0.657 58.596 59.018 0.392 0.000 1.707 1134 C CB 1.311 29.179 27.740 0.214 0.000 2.272 1134 C HN 0.803 nan 8.230 nan 0.000 0.506 1135 Q N 3.051 123.056 119.800 0.341 0.000 2.274 1135 Q HA 0.634 4.974 4.340 0.000 0.000 0.256 1135 Q C -0.990 174.998 176.000 -0.020 0.000 0.927 1135 Q CA -0.089 55.699 55.803 -0.026 0.000 0.939 1135 Q CB 0.729 29.423 28.738 -0.073 0.000 1.201 1135 Q HN 0.740 nan 8.270 nan 0.000 0.426 1136 M N 2.872 122.438 119.600 -0.057 0.000 2.578 1136 M HA 0.518 4.998 4.480 0.000 0.000 0.321 1136 M C -0.696 175.641 176.300 0.061 0.000 1.182 1136 M CA -0.576 54.789 55.300 0.108 0.000 0.965 1136 M CB 2.022 34.770 32.600 0.245 0.000 1.694 1136 M HN 0.329 nan 8.290 nan 0.000 0.461 1137 K N 1.532 121.981 120.400 0.082 0.000 2.535 1137 K HA 0.326 4.646 4.320 0.000 0.000 0.251 1137 K C -1.676 174.633 176.600 -0.486 0.000 0.942 1137 K CA -0.618 55.596 56.287 -0.122 0.000 0.798 1137 K CB 2.501 34.915 32.500 -0.144 0.000 1.267 1137 K HN 0.594 nan 8.250 nan 0.000 0.434 1138 V N 5.901 125.400 119.914 -0.692 0.000 2.506 1138 V HA 0.037 4.157 4.120 0.000 0.000 0.296 1138 V C -2.155 173.410 176.094 -0.882 0.000 1.004 1138 V CA -0.713 60.840 62.300 -1.245 0.000 1.150 1138 V CB 0.215 31.623 31.823 -0.692 0.000 0.911 1138 V HN 0.586 nan 8.190 nan 0.000 0.476 1139 P HA 0.093 nan 4.420 nan 0.000 0.268 1139 P C 0.432 177.487 177.300 -0.408 0.000 1.208 1139 P CA 0.051 62.798 63.100 -0.588 0.000 0.777 1139 P CB 0.421 31.785 31.700 -0.560 0.000 0.875 1140 K N 0.450 120.689 120.400 -0.269 0.000 2.209 1140 K HA -0.105 4.215 4.320 0.000 0.000 0.204 1140 K C 1.605 178.106 176.600 -0.166 0.000 1.048 1140 K CA 1.876 58.047 56.287 -0.193 0.000 0.940 1140 K CB -0.552 31.865 32.500 -0.138 0.000 0.729 1140 K HN 0.627 nan 8.250 nan 0.000 0.451 1141 T N -0.926 113.530 114.554 -0.164 0.000 3.118 1141 T HA 0.084 4.434 4.350 0.000 0.000 0.260 1141 T C 0.798 175.426 174.700 -0.120 0.000 1.139 1141 T CA 0.294 62.328 62.100 -0.110 0.000 1.085 1141 T CB -0.229 68.599 68.868 -0.067 0.000 0.934 1141 T HN -0.003 nan 8.240 nan 0.000 0.518 1142 I N 2.202 122.645 120.570 -0.212 0.000 2.307 1142 I HA 0.308 4.478 4.170 0.000 0.000 0.287 1142 I C 0.609 176.617 176.117 -0.182 0.000 1.054 1142 I CA -0.590 60.568 61.300 -0.238 0.000 1.218 1142 I CB 1.321 39.042 38.000 -0.465 0.000 1.398 1142 I HN 0.095 nan 8.210 nan 0.000 0.475 1143 L N 4.779 125.951 121.223 -0.085 0.000 2.628 1143 L HA 0.198 4.538 4.340 0.000 0.000 0.229 1143 L C 1.284 178.153 176.870 -0.001 0.000 1.137 1143 L CA 0.232 55.042 54.840 -0.049 0.000 0.909 1143 L CB -0.476 41.567 42.059 -0.026 0.000 1.137 1143 L HN 0.578 nan 8.230 nan 0.000 0.470 1144 N N -0.112 118.607 118.700 0.031 0.000 2.184 1144 N HA -0.050 4.690 4.740 0.000 0.000 0.206 1144 N C 1.717 177.372 175.510 0.242 0.000 1.151 1144 N CA 0.704 53.841 53.050 0.145 0.000 0.878 1144 N CB 0.314 38.950 38.487 0.249 0.000 1.014 1144 N HN 0.216 nan 8.380 nan 0.000 0.512 1145 T N -3.179 111.462 114.554 0.145 0.000 2.946 1145 T HA -0.189 4.161 4.350 0.000 0.000 0.271 1145 T C 1.874 176.725 174.700 0.252 0.000 1.104 1145 T CA 1.857 64.085 62.100 0.214 0.000 1.114 1145 T CB -0.892 68.055 68.868 0.131 0.000 0.867 1145 T HN 0.252 nan 8.240 nan 0.000 0.513 1146 T N -0.775 113.878 114.554 0.164 0.000 2.962 1146 T HA 0.054 4.404 4.350 0.000 0.000 0.270 1146 T C 1.847 176.597 174.700 0.084 0.000 1.088 1146 T CA 0.850 63.020 62.100 0.116 0.000 1.127 1146 T CB -0.381 68.529 68.868 0.071 0.000 0.883 1146 T HN 0.308 nan 8.240 nan 0.000 0.493 1147 K N -0.240 120.195 120.400 0.059 0.000 2.418 1147 K HA 0.261 4.581 4.320 0.000 0.000 0.195 1147 K C -0.309 176.102 176.600 -0.316 0.000 1.035 1147 K CA 0.196 56.386 56.287 -0.162 0.000 1.003 1147 K CB -0.060 32.270 32.500 -0.283 0.000 0.793 1147 K HN 0.552 nan 8.250 nan 0.000 0.494 1148 Y N 0.034 120.290 120.300 -0.073 0.000 2.387 1148 Y HA 0.090 4.640 4.550 0.000 0.000 0.330 1148 Y C 1.353 177.260 175.900 0.012 0.000 1.133 1148 Y CA -0.743 57.338 58.100 -0.031 0.000 1.152 1148 Y CB 1.511 39.968 38.460 -0.005 0.000 1.215 1148 Y HN -0.157 nan 8.280 nan 0.000 0.466 1149 Q N 1.202 121.062 119.800 0.099 0.000 1.965 1149 Q HA 0.105 4.445 4.340 0.000 0.000 0.200 1149 Q C -0.607 175.393 176.000 0.001 0.000 0.981 1149 Q CA 1.342 57.054 55.803 -0.153 0.000 0.834 1149 Q CB 0.140 28.418 28.738 -0.766 0.000 0.900 1149 Q HN 0.502 nan 8.270 nan 0.000 0.426 1150 L N 0.437 121.630 121.223 -0.050 0.000 2.439 1150 L HA 0.290 4.630 4.340 0.000 0.000 0.270 1150 L C -0.695 176.122 176.870 -0.089 0.000 0.972 1150 L CA -0.828 54.014 54.840 0.002 0.000 0.836 1150 L CB 1.762 43.831 42.059 0.016 0.000 1.255 1150 L HN 0.368 nan 8.230 nan 0.000 0.404 1151 H N 5.020 123.919 119.070 -0.286 0.000 2.928 1151 H HA 0.034 4.590 4.556 0.000 0.000 0.338 1151 H C -1.832 173.145 175.328 -0.584 0.000 1.047 1151 H CA -0.697 54.968 56.048 -0.640 0.000 1.435 1151 H CB 1.788 31.159 29.762 -0.652 0.000 1.428 1151 H HN 0.343 nan 8.280 nan 0.000 0.590 1152 P HA -0.182 nan 4.420 nan 0.000 0.217 1152 P C 1.447 178.471 177.300 -0.461 0.000 1.151 1152 P CA 2.568 65.356 63.100 -0.519 0.000 0.849 1152 P CB 0.005 31.410 31.700 -0.492 0.000 0.787 1153 T N -3.594 110.659 114.554 -0.502 0.000 2.995 1153 T HA -0.066 4.284 4.350 0.000 0.000 0.269 1153 T C 1.644 175.910 174.700 -0.724 0.000 1.091 1153 T CA 0.494 62.190 62.100 -0.673 0.000 1.128 1153 T CB -0.961 67.538 68.868 -0.615 0.000 0.891 1153 T HN -0.063 nan 8.240 nan 0.000 0.492 1154 L N 1.553 122.217 121.223 -0.932 0.000 2.044 1154 L HA 0.186 4.526 4.340 0.000 0.000 0.205 1154 L C 2.540 178.982 176.870 -0.713 0.000 1.075 1154 L CA 1.269 55.306 54.840 -1.339 0.000 0.747 1154 L CB -0.864 40.430 42.059 -1.274 0.000 0.903 1154 L HN 0.153 nan 8.230 nan 0.000 0.435 1155 V N 0.094 119.695 119.914 -0.522 0.000 2.332 1155 V HA -0.321 3.799 4.120 0.000 0.000 0.248 1155 V C 2.349 178.020 176.094 -0.705 0.000 1.055 1155 V CA 2.087 64.087 62.300 -0.500 0.000 1.038 1155 V CB -0.897 30.671 31.823 -0.425 0.000 0.651 1155 V HN 0.541 nan 8.190 nan 0.000 0.450 1156 D N -0.177 119.953 120.400 -0.450 0.000 2.144 1156 D HA -0.150 4.490 4.640 0.000 0.000 0.199 1156 D C 2.304 178.561 176.300 -0.071 0.000 0.984 1156 D CA 1.518 55.404 54.000 -0.190 0.000 0.834 1156 D CB -0.054 40.892 40.800 0.242 0.000 0.955 1156 D HN 0.349 nan 8.370 nan 0.000 0.465 1157 S N -0.997 114.630 115.700 -0.121 0.000 2.370 1157 S HA -0.206 4.264 4.470 0.000 0.000 0.226 1157 S C 2.247 176.821 174.600 -0.043 0.000 1.033 1157 S CA 1.056 59.242 58.200 -0.023 0.000 1.011 1157 S CB -0.497 62.629 63.200 -0.122 0.000 0.852 1157 S HN 0.498 nan 8.310 nan 0.000 0.457 1158 C N 1.069 120.273 119.300 -0.160 0.000 2.413 1158 C HA -0.085 4.375 4.460 0.000 0.000 0.276 1158 C C 2.317 177.337 174.990 0.050 0.000 1.236 1158 C CA 0.446 59.421 59.018 -0.072 0.000 1.735 1158 C CB -1.689 25.991 27.740 -0.101 0.000 2.031 1158 C HN 0.525 nan 8.230 nan 0.000 0.474 1159 F N 1.090 120.998 119.950 -0.071 0.000 2.234 1159 F HA -0.104 4.423 4.527 0.000 0.000 0.299 1159 F C 2.513 178.251 175.800 -0.102 0.000 1.087 1159 F CA 0.966 58.863 58.000 -0.171 0.000 1.340 1159 F CB -1.624 37.399 39.000 0.039 0.000 1.031 1159 F HN 0.389 nan 8.300 nan 0.000 0.500 1160 Q N 0.146 120.051 119.800 0.174 0.000 2.181 1160 Q HA -0.189 4.151 4.340 0.000 0.000 0.205 1160 Q C 2.378 178.384 176.000 0.010 0.000 0.980 1160 Q CA 1.982 57.857 55.803 0.120 0.000 0.862 1160 Q CB -0.391 28.446 28.738 0.166 0.000 0.905 1160 Q HN 0.504 nan 8.270 nan 0.000 0.429 1161 S N 0.982 116.679 115.700 -0.005 0.000 2.419 1161 S HA -0.197 4.273 4.470 0.000 0.000 0.235 1161 S C 1.970 176.510 174.600 -0.100 0.000 1.019 1161 S CA 1.259 59.435 58.200 -0.039 0.000 0.982 1161 S CB -0.717 62.481 63.200 -0.002 0.000 0.789 1161 S HN 0.578 nan 8.310 nan 0.000 0.490 1162 I N -0.708 119.770 120.570 -0.154 0.000 2.614 1162 I HA -0.017 4.153 4.170 0.000 0.000 0.258 1162 I C 1.900 177.800 176.117 -0.362 0.000 1.189 1162 I CA 0.939 62.071 61.300 -0.280 0.000 1.462 1162 I CB -0.461 37.329 38.000 -0.350 0.000 1.092 1162 I HN 0.111 nan 8.210 nan 0.000 0.442 1163 I N 2.410 122.836 120.570 -0.239 0.000 2.264 1163 I HA -0.273 3.897 4.170 0.000 0.000 0.248 1163 I C 2.813 178.760 176.117 -0.284 0.000 1.111 1163 I CA 1.636 62.763 61.300 -0.289 0.000 1.382 1163 I CB -1.732 36.130 38.000 -0.230 0.000 1.060 1163 I HN 0.448 nan 8.210 nan 0.000 0.418 1164 A N 0.208 122.912 122.820 -0.194 0.000 2.125 1164 A HA -0.076 4.244 4.320 0.000 0.000 0.219 1164 A C 2.152 179.677 177.584 -0.097 0.000 1.156 1164 A CA 0.911 52.870 52.037 -0.130 0.000 0.671 1164 A CB -0.587 18.364 19.000 -0.081 0.000 0.794 1164 A HN 0.469 nan 8.150 nan 0.000 0.459 1165 L N -0.435 120.704 121.223 -0.139 0.000 2.607 1165 L HA 0.084 4.424 4.340 0.000 0.000 0.228 1165 L C 1.074 177.904 176.870 -0.067 0.000 1.123 1165 L CA 0.179 54.987 54.840 -0.055 0.000 0.890 1165 L CB 0.583 42.672 42.059 0.049 0.000 1.103 1165 L HN 0.342 nan 8.230 nan 0.000 0.468 1166 V N -5.777 114.050 119.914 -0.145 0.000 3.276 1166 V HA 0.167 4.288 4.120 0.000 0.000 0.319 1166 V C 1.570 177.662 176.094 -0.002 0.000 1.476 1166 V CA -0.185 62.084 62.300 -0.052 0.000 1.097 1166 V CB -0.039 31.745 31.823 -0.065 0.000 0.988 1166 V HN 0.188 nan 8.190 nan 0.000 0.473 1167 L N 0.293 121.494 121.223 -0.037 0.000 2.079 1167 L HA -0.034 4.306 4.340 0.000 0.000 0.210 1167 L C 1.081 178.020 176.870 0.114 0.000 1.081 1167 L CA 1.909 56.764 54.840 0.026 0.000 0.752 1167 L CB -0.212 41.850 42.059 0.005 0.000 0.896 1167 L HN 0.386 nan 8.230 nan 0.000 0.433 1168 D N -0.339 120.115 120.400 0.090 0.000 3.018 1168 D HA 0.170 4.810 4.640 0.000 0.000 0.331 1168 D C -0.281 176.078 176.300 0.099 0.000 1.334 1168 D CA -0.011 54.044 54.000 0.092 0.000 0.900 1168 D CB 0.401 41.241 40.800 0.067 0.000 1.059 1168 D HN 0.123 nan 8.370 nan 0.000 0.498 1169 Q N 0.102 119.979 119.800 0.128 0.000 2.245 1169 Q HA 0.464 4.804 4.340 0.000 0.000 0.256 1169 Q C 0.072 176.136 176.000 0.106 0.000 0.942 1169 Q CA -0.486 55.397 55.803 0.132 0.000 0.896 1169 Q CB 2.072 30.924 28.738 0.189 0.000 1.272 1169 Q HN 0.129 nan 8.270 nan 0.000 0.442 1170 S N -0.118 115.633 115.700 0.085 0.000 2.640 1170 S HA 0.741 5.211 4.470 0.000 0.000 0.262 1170 S C 0.313 174.943 174.600 0.050 0.000 1.232 1170 S CA 0.295 58.531 58.200 0.060 0.000 0.988 1170 S CB 0.930 64.160 63.200 0.050 0.000 1.034 1170 S HN 0.924 nan 8.310 nan 0.000 0.569 1171 G N 1.401 110.219 108.800 0.030 0.000 2.378 1171 G HA2 -0.151 3.809 3.960 0.000 0.000 0.198 1171 G HA3 -0.151 3.809 3.960 0.000 0.000 0.198 1171 G C -0.711 174.189 174.900 0.001 0.000 1.223 1171 G CA -0.651 44.457 45.100 0.014 0.000 1.088 1171 G HN 0.656 nan 8.290 nan 0.000 0.530 1172 N N 1.118 119.810 118.700 -0.014 0.000 2.416 1172 N HA 0.138 4.878 4.740 0.000 0.000 0.265 1172 N C 1.525 177.021 175.510 -0.024 0.000 1.195 1172 N CA 0.245 53.284 53.050 -0.019 0.000 0.943 1172 N CB 0.929 39.399 38.487 -0.028 0.000 1.115 1172 N HN 0.613 nan 8.380 nan 0.000 0.481 1173 K N 2.350 122.739 120.400 -0.018 0.000 2.218 1173 K HA -0.116 4.204 4.320 0.000 0.000 0.205 1173 K C 0.602 177.179 176.600 -0.037 0.000 1.046 1173 K CA 1.038 57.307 56.287 -0.030 0.000 0.933 1173 K CB 0.216 32.705 32.500 -0.018 0.000 0.728 1173 K HN 0.490 nan 8.250 nan 0.000 0.454 1174 N N 0.839 119.530 118.700 -0.015 0.000 2.467 1174 N HA -0.021 4.720 4.740 0.000 0.000 0.184 1174 N C -0.311 175.200 175.510 0.002 0.000 1.106 1174 N CA 0.570 53.626 53.050 0.010 0.000 0.892 1174 N CB 0.343 38.853 38.487 0.039 0.000 0.969 1174 N HN 0.271 nan 8.380 nan 0.000 0.454 1175 E N -0.424 119.756 120.200 -0.033 0.000 2.204 1175 E HA 0.368 4.718 4.350 0.000 0.000 0.276 1175 E C -0.481 176.081 176.600 -0.063 0.000 0.974 1175 E CA -0.252 56.114 56.400 -0.056 0.000 0.815 1175 E CB 1.854 31.497 29.700 -0.095 0.000 1.119 1175 E HN -0.136 nan 8.360 nan 0.000 0.393 1176 T N 1.383 115.907 114.554 -0.050 0.000 2.812 1176 T HA 0.446 4.796 4.350 0.000 0.000 0.294 1176 T C -1.430 173.209 174.700 -0.101 0.000 1.159 1176 T CA -0.671 61.435 62.100 0.011 0.000 1.008 1176 T CB 0.425 69.423 68.868 0.216 0.000 1.289 1176 T HN 0.270 nan 8.240 nan 0.000 0.514 1177 F N 1.860 121.889 119.950 0.132 0.000 2.444 1177 F HA 0.502 5.029 4.527 0.000 0.000 0.360 1177 F C 0.398 176.292 175.800 0.157 0.000 1.106 1177 F CA -0.259 57.816 58.000 0.124 0.000 1.170 1177 F CB 0.893 39.946 39.000 0.087 0.000 1.113 1177 F HN 0.121 nan 8.300 nan 0.000 0.521 1178 V N 5.753 125.852 119.914 0.308 0.000 2.547 1178 V HA 0.363 4.483 4.120 0.000 0.000 0.299 1178 V C -2.104 174.147 176.094 0.262 0.000 1.040 1178 V CA -2.357 60.098 62.300 0.259 0.000 0.913 1178 V CB 1.808 33.743 31.823 0.187 0.000 0.992 1178 V HN 0.476 nan 8.190 nan 0.000 0.449 1179 P HA 0.100 nan 4.420 nan 0.000 0.265 1179 P C -0.320 177.078 177.300 0.162 0.000 1.193 1179 P CA 0.411 63.534 63.100 0.038 0.000 0.765 1179 P CB 0.383 32.071 31.700 -0.021 0.000 0.823 1180 F N 1.791 121.710 119.950 -0.051 0.000 2.577 1180 F HA 0.230 4.757 4.527 0.000 0.000 0.282 1180 F C 0.028 175.863 175.800 0.058 0.000 0.957 1180 F CA 0.529 58.578 58.000 0.083 0.000 1.168 1180 F CB 0.570 39.580 39.000 0.016 0.000 0.958 1180 F HN 0.357 nan 8.300 nan 0.000 0.702 1181 S N 0.181 115.824 115.700 -0.095 0.000 2.567 1181 S HA 0.651 5.121 4.470 0.000 0.000 0.270 1181 S C -1.300 173.204 174.600 -0.159 0.000 1.152 1181 S CA -0.712 57.356 58.200 -0.219 0.000 0.835 1181 S CB 1.802 64.932 63.200 -0.116 0.000 1.115 1181 S HN 0.092 nan 8.310 nan 0.000 0.459 1182 I N 1.874 122.384 120.570 -0.100 0.000 2.548 1182 I HA 0.322 4.492 4.170 0.000 0.000 0.287 1182 I C -0.361 175.789 176.117 0.056 0.000 1.103 1182 I CA -0.720 60.602 61.300 0.036 0.000 1.049 1182 I CB 2.251 40.360 38.000 0.182 0.000 1.232 1182 I HN 0.678 nan 8.210 nan 0.000 0.429 1183 D N 3.597 124.044 120.400 0.078 0.000 2.123 1183 D HA -0.052 4.588 4.640 0.000 0.000 0.200 1183 D C 0.555 176.914 176.300 0.098 0.000 0.976 1183 D CA 1.552 55.593 54.000 0.068 0.000 0.831 1183 D CB 0.308 41.145 40.800 0.061 0.000 0.974 1183 D HN 0.354 nan 8.370 nan 0.000 0.469 1184 K N -0.707 119.775 120.400 0.137 0.000 2.565 1184 K HA 0.247 4.567 4.320 0.000 0.000 0.251 1184 K C -1.992 174.736 176.600 0.214 0.000 0.956 1184 K CA -0.523 55.858 56.287 0.157 0.000 0.809 1184 K CB 1.241 33.801 32.500 0.101 0.000 1.267 1184 K HN -0.159 nan 8.250 nan 0.000 0.438 1185 F N 3.252 123.274 119.950 0.121 0.000 2.402 1185 F HA 0.445 4.973 4.527 0.000 0.000 0.355 1185 F C -0.905 174.936 175.800 0.068 0.000 1.123 1185 F CA -0.257 57.825 58.000 0.136 0.000 1.021 1185 F CB 1.716 40.831 39.000 0.191 0.000 1.160 1185 F HN 0.341 nan 8.300 nan 0.000 0.451 1186 T N 7.248 121.710 114.554 -0.153 0.000 2.792 1186 T HA 0.309 4.659 4.350 0.000 0.000 0.280 1186 T C -1.268 173.245 174.700 -0.312 0.000 0.990 1186 T CA -0.305 61.672 62.100 -0.205 0.000 0.960 1186 T CB 0.809 69.452 68.868 -0.375 0.000 0.939 1186 T HN 0.452 nan 8.240 nan 0.000 0.439 1187 F N 3.608 123.415 119.950 -0.239 0.000 2.411 1187 F HA 0.489 5.016 4.527 0.000 0.000 0.352 1187 F C -0.336 175.291 175.800 -0.287 0.000 1.123 1187 F CA -0.688 57.228 58.000 -0.139 0.000 1.044 1187 F CB 0.678 39.744 39.000 0.109 0.000 1.135 1187 F HN 0.610 nan 8.300 nan 0.000 0.461 1188 Y N 3.274 123.166 120.300 -0.680 0.000 2.265 1188 Y HA 0.191 4.741 4.550 0.000 0.000 0.290 1188 Y C 0.559 176.004 175.900 -0.758 0.000 1.137 1188 Y CA 0.258 58.040 58.100 -0.529 0.000 1.147 1188 Y CB -0.072 38.206 38.460 -0.304 0.000 1.104 1188 Y HN 0.510 nan 8.280 nan 0.000 0.514 1189 N N -1.177 117.112 118.700 -0.686 0.000 2.331 1189 N HA 0.216 4.956 4.740 0.000 0.000 0.280 1189 N C -1.344 174.006 175.510 -0.268 0.000 1.155 1189 N CA -0.555 52.239 53.050 -0.428 0.000 0.822 1189 N CB 2.130 40.553 38.487 -0.107 0.000 1.619 1189 N HN -0.047 nan 8.380 nan 0.000 0.476 1190 S N -0.011 115.770 115.700 0.134 0.000 2.592 1190 S HA 0.241 4.711 4.470 0.000 0.000 0.271 1190 S C -0.238 174.473 174.600 0.184 0.000 1.326 1190 S CA -0.272 58.124 58.200 0.326 0.000 1.024 1190 S CB 0.507 63.938 63.200 0.385 0.000 0.921 1190 S HN 0.544 nan 8.310 nan 0.000 0.527 1191 S N 1.581 117.395 115.700 0.190 0.000 2.437 1191 S HA 0.233 4.703 4.470 0.000 0.000 0.305 1191 S C 0.447 175.133 174.600 0.144 0.000 1.109 1191 S CA -0.681 57.611 58.200 0.153 0.000 1.099 1191 S CB 1.199 64.491 63.200 0.153 0.000 1.004 1191 S HN 0.832 nan 8.310 nan 0.000 0.475 1192 D N 3.560 124.034 120.400 0.123 0.000 2.348 1192 D HA 0.020 4.660 4.640 0.000 0.000 0.216 1192 D C -0.061 176.295 176.300 0.092 0.000 0.970 1192 D CA 0.752 54.813 54.000 0.102 0.000 0.889 1192 D CB 0.082 40.936 40.800 0.090 0.000 0.912 1192 D HN 0.427 nan 8.370 nan 0.000 0.524 1193 N N 0.202 118.963 118.700 0.103 0.000 2.508 1193 N HA 0.114 4.854 4.740 0.000 0.000 0.285 1193 N C 0.137 175.686 175.510 0.065 0.000 1.144 1193 N CA -0.365 52.731 53.050 0.077 0.000 0.978 1193 N CB 1.291 39.826 38.487 0.079 0.000 1.180 1193 N HN -0.119 nan 8.380 nan 0.000 0.484 1194 D N 0.037 120.446 120.400 0.016 0.000 2.323 1194 D HA 0.066 4.706 4.640 0.000 0.000 0.209 1194 D C -0.033 176.248 176.300 -0.032 0.000 0.973 1194 D CA 0.572 54.555 54.000 -0.029 0.000 0.874 1194 D CB 0.301 41.058 40.800 -0.071 0.000 0.930 1194 D HN 0.330 nan 8.370 nan 0.000 0.521 1195 L N 0.716 121.918 121.223 -0.036 0.000 2.322 1195 L HA 0.478 4.818 4.340 0.000 0.000 0.281 1195 L C -1.321 175.481 176.870 -0.114 0.000 1.014 1195 L CA -0.473 54.298 54.840 -0.115 0.000 0.815 1195 L CB 1.240 43.193 42.059 -0.177 0.000 1.247 1195 L HN -0.206 nan 8.230 nan 0.000 0.421 1196 L N 3.054 124.176 121.223 -0.169 0.000 2.359 1196 L HA 0.566 4.906 4.340 0.000 0.000 0.256 1196 L C -1.616 175.097 176.870 -0.261 0.000 1.026 1196 L CA -0.540 54.243 54.840 -0.096 0.000 0.828 1196 L CB 2.233 44.342 42.059 0.083 0.000 1.406 1196 L HN 0.562 nan 8.230 nan 0.000 0.413 1197 W N 0.551 121.974 121.300 0.206 0.000 2.702 1197 W HA 0.607 5.267 4.660 0.000 0.000 0.331 1197 W C -0.701 175.988 176.519 0.282 0.000 1.049 1197 W CA -0.485 57.002 57.345 0.237 0.000 1.230 1197 W CB 1.771 31.355 29.460 0.206 0.000 1.408 1197 W HN 0.290 nan 8.180 nan 0.000 0.492 1198 C N 5.355 124.951 119.300 0.493 0.000 2.301 1198 C HA 0.561 5.021 4.460 0.000 0.000 0.323 1198 C C -0.854 174.392 174.990 0.425 0.000 1.265 1198 C CA -0.775 58.459 59.018 0.361 0.000 1.503 1198 C CB -0.831 27.028 27.740 0.199 0.000 2.195 1198 C HN 0.699 nan 8.230 nan 0.000 0.477 1199 Y N 4.704 125.176 120.300 0.287 0.000 2.341 1199 Y HA 0.626 5.176 4.550 0.000 0.000 0.337 1199 Y C 0.081 176.074 175.900 0.155 0.000 1.014 1199 Y CA 0.070 58.312 58.100 0.236 0.000 1.111 1199 Y CB 1.456 40.092 38.460 0.293 0.000 1.194 1199 Y HN 0.696 nan 8.280 nan 0.000 0.462 1200 T N 5.786 120.027 114.554 -0.521 0.000 2.921 1200 T HA 0.483 4.833 4.350 0.000 0.000 0.297 1200 T C -1.531 172.849 174.700 -0.533 0.000 1.013 1200 T CA -0.572 61.288 62.100 -0.399 0.000 0.990 1200 T CB 0.316 69.100 68.868 -0.140 0.000 1.023 1200 T HN 0.779 nan 8.240 nan 0.000 0.447 1201 C N 1.019 120.086 119.300 -0.388 0.000 2.783 1201 C HA 1.097 5.557 4.460 0.000 0.000 0.312 1201 C C 0.442 175.392 174.990 -0.066 0.000 1.182 1201 C CA -0.590 58.310 59.018 -0.198 0.000 1.432 1201 C CB 0.762 28.393 27.740 -0.182 0.000 1.933 1201 C HN 1.261 nan 8.230 nan 0.000 0.473 1202 G N 1.280 110.062 108.800 -0.030 0.000 2.325 1202 G HA2 0.880 4.840 3.960 0.000 0.000 0.295 1202 G HA3 0.880 4.840 3.960 0.000 0.000 0.295 1202 G C -1.024 173.663 174.900 -0.354 0.000 1.274 1202 G CA 0.270 45.271 45.100 -0.165 0.000 0.857 1202 G HN 2.324 nan 8.290 nan 0.000 0.499 1203 S N -1.410 113.752 115.700 -0.897 0.000 2.636 1203 S HA 0.648 5.118 4.470 0.000 0.000 0.266 1203 S C -1.243 172.668 174.600 -1.149 0.000 1.147 1203 S CA -0.901 56.722 58.200 -0.962 0.000 0.815 1203 S CB 1.335 64.346 63.200 -0.315 0.000 1.119 1203 S HN 0.814 nan 8.310 nan 0.000 0.470 1204 K N 1.010 121.076 120.400 -0.556 0.000 2.414 1204 K HA 0.312 4.632 4.320 0.000 0.000 0.272 1204 K C -0.407 176.092 176.600 -0.167 0.000 0.993 1204 K CA -0.108 56.053 56.287 -0.210 0.000 0.964 1204 K CB 0.056 32.602 32.500 0.076 0.000 0.925 1204 K HN 0.605 nan 8.250 nan 0.000 0.487 1205 D N 1.536 121.882 120.400 -0.089 0.000 2.417 1205 D HA 0.005 4.645 4.640 0.000 0.000 0.250 1205 D C 0.545 176.830 176.300 -0.026 0.000 1.166 1205 D CA 0.081 54.044 54.000 -0.062 0.000 0.881 1205 D CB 0.807 41.590 40.800 -0.028 0.000 1.164 1205 D HN 0.288 nan 8.370 nan 0.000 0.467 1206 K N 1.924 122.304 120.400 -0.033 0.000 2.113 1206 K HA -0.193 4.127 4.320 0.000 0.000 0.208 1206 K C 1.749 178.348 176.600 -0.002 0.000 1.047 1206 K CA 1.558 57.836 56.287 -0.015 0.000 0.928 1206 K CB 0.046 32.535 32.500 -0.018 0.000 0.716 1206 K HN 0.552 nan 8.250 nan 0.000 0.446 1207 Q N -0.503 119.295 119.800 -0.003 0.000 1.969 1207 Q HA -0.017 4.323 4.340 0.000 0.000 0.198 1207 Q C 0.344 176.351 176.000 0.012 0.000 0.978 1207 Q CA 1.269 57.073 55.803 0.003 0.000 0.830 1207 Q CB 0.032 28.769 28.738 -0.002 0.000 0.896 1207 Q HN 0.281 nan 8.270 nan 0.000 0.431 1208 S N -1.115 114.595 115.700 0.016 0.000 2.519 1208 S HA 0.474 4.944 4.470 0.000 0.000 0.309 1208 S C 0.477 175.116 174.600 0.065 0.000 1.100 1208 S CA -0.543 57.676 58.200 0.032 0.000 1.059 1208 S CB 1.777 64.988 63.200 0.019 0.000 1.008 1208 S HN 0.289 nan 8.310 nan 0.000 0.478 1209 G N 1.825 110.678 108.800 0.089 0.000 2.990 1209 G HA2 0.055 4.015 3.960 0.000 0.000 0.206 1209 G HA3 0.055 4.015 3.960 0.000 0.000 0.206 1209 G C 0.653 175.698 174.900 0.242 0.000 1.169 1209 G CA -0.007 45.189 45.100 0.160 0.000 0.819 1209 G HN 0.818 nan 8.290 nan 0.000 0.517 1210 E N -0.497 119.806 120.200 0.171 0.000 2.442 1210 E HA 0.083 4.433 4.350 0.000 0.000 0.195 1210 E C 0.588 177.389 176.600 0.335 0.000 1.030 1210 E CA 0.340 56.845 56.400 0.175 0.000 0.869 1210 E CB 0.277 30.002 29.700 0.042 0.000 0.857 1210 E HN 0.326 nan 8.360 nan 0.000 0.505 1211 K N 0.313 120.884 120.400 0.284 0.000 2.207 1211 K HA 0.365 4.685 4.320 0.000 0.000 0.255 1211 K C -1.181 175.533 176.600 0.189 0.000 0.941 1211 K CA -0.678 55.751 56.287 0.237 0.000 0.825 1211 K CB 1.723 34.258 32.500 0.057 0.000 1.119 1211 K HN -0.128 nan 8.250 nan 0.000 0.430 1212 F N 2.263 122.155 119.950 -0.097 0.000 2.477 1212 F HA 0.356 4.883 4.527 0.000 0.000 0.335 1212 F C -0.460 175.299 175.800 -0.069 0.000 1.130 1212 F CA -0.714 57.112 58.000 -0.290 0.000 0.948 1212 F CB 1.354 39.865 39.000 -0.815 0.000 1.154 1212 F HN 0.312 nan 8.300 nan 0.000 0.439 1213 K N 4.422 124.629 120.400 -0.322 0.000 2.164 1213 K HA 0.902 5.222 4.320 0.000 0.000 0.258 1213 K C -1.632 174.904 176.600 -0.106 0.000 0.951 1213 K CA -0.570 55.662 56.287 -0.092 0.000 0.844 1213 K CB 1.671 34.113 32.500 -0.097 0.000 1.099 1213 K HN 0.730 nan 8.250 nan 0.000 0.435 1214 A N 3.010 125.911 122.820 0.133 0.000 2.589 1214 A HA 0.456 4.776 4.320 0.000 0.000 0.296 1214 A C -1.887 175.773 177.584 0.126 0.000 1.062 1214 A CA -0.926 51.190 52.037 0.132 0.000 0.686 1214 A CB 1.310 20.459 19.000 0.247 0.000 1.282 1214 A HN 0.707 nan 8.150 nan 0.000 0.404 1215 D N 0.755 121.183 120.400 0.048 0.000 2.248 1215 D HA 0.710 5.350 4.640 0.000 0.000 0.246 1215 D C -0.639 175.655 176.300 -0.010 0.000 1.027 1215 D CA 0.202 54.229 54.000 0.045 0.000 0.853 1215 D CB 1.688 42.511 40.800 0.039 0.000 1.243 1215 D HN 0.450 nan 8.370 nan 0.000 0.462 1216 I N 1.152 121.726 120.570 0.008 0.000 2.608 1216 I HA 0.279 4.449 4.170 0.000 0.000 0.295 1216 I C -0.372 175.735 176.117 -0.015 0.000 1.049 1216 I CA -0.779 60.510 61.300 -0.019 0.000 1.063 1216 I CB 1.927 39.928 38.000 0.002 0.000 1.248 1216 I HN -0.037 nan 8.210 nan 0.000 0.424 1217 Q N 5.441 125.246 119.800 0.010 0.000 2.337 1217 Q HA 0.572 4.912 4.340 0.000 0.000 0.270 1217 Q C -1.478 174.449 176.000 -0.121 0.000 1.043 1217 Q CA -0.961 54.779 55.803 -0.104 0.000 0.794 1217 Q CB 3.384 32.063 28.738 -0.099 0.000 1.281 1217 Q HN 0.416 nan 8.270 nan 0.000 0.446 1218 L N 2.849 123.938 121.223 -0.224 0.000 2.305 1218 L HA 0.579 4.919 4.340 0.000 0.000 0.284 1218 L C -1.776 175.005 176.870 -0.148 0.000 1.013 1218 L CA -0.132 54.664 54.840 -0.073 0.000 0.819 1218 L CB 0.630 42.678 42.059 -0.018 0.000 1.227 1218 L HN 0.481 nan 8.230 nan 0.000 0.417 1219 F N 2.520 122.578 119.950 0.179 0.000 2.522 1219 F HA 0.409 4.936 4.527 0.000 0.000 0.324 1219 F C 0.648 176.579 175.800 0.217 0.000 1.077 1219 F CA -0.639 57.469 58.000 0.180 0.000 0.944 1219 F CB 1.329 40.453 39.000 0.206 0.000 1.175 1219 F HN 0.456 nan 8.300 nan 0.000 0.468 1220 D N 1.245 121.887 120.400 0.403 0.000 2.362 1220 D HA -0.040 4.600 4.640 0.000 0.000 0.238 1220 D C 1.020 177.541 176.300 0.368 0.000 1.212 1220 D CA 0.120 54.309 54.000 0.315 0.000 0.902 1220 D CB 0.903 41.874 40.800 0.284 0.000 1.180 1220 D HN 0.741 nan 8.370 nan 0.000 0.445 1221 Q N 0.997 120.928 119.800 0.218 0.000 2.364 1221 Q HA -0.173 4.167 4.340 0.000 0.000 0.207 1221 Q C 0.658 176.646 176.000 -0.020 0.000 0.970 1221 Q CA 1.441 57.349 55.803 0.176 0.000 0.888 1221 Q CB -0.309 28.416 28.738 -0.022 0.000 0.951 1221 Q HN 0.545 nan 8.270 nan 0.000 0.469 1222 H N -0.417 118.744 119.070 0.151 0.000 2.551 1222 H HA 0.279 4.835 4.556 0.000 0.000 0.271 1222 H C 0.969 176.320 175.328 0.039 0.000 0.984 1222 H CA 0.401 56.492 56.048 0.072 0.000 1.164 1222 H CB 1.024 30.821 29.762 0.059 0.000 1.437 1222 H HN 0.519 nan 8.280 nan 0.000 0.550 1223 G N 0.738 109.636 108.800 0.164 0.000 2.157 1223 G HA2 -0.320 3.640 3.960 0.000 0.000 0.248 1223 G HA3 -0.320 3.640 3.960 0.000 0.000 0.248 1223 G C 0.108 175.187 174.900 0.299 0.000 0.979 1223 G CA -0.221 44.936 45.100 0.096 0.000 0.650 1223 G HN 0.419 nan 8.290 nan 0.000 0.529 1224 Q N -0.393 119.563 119.800 0.261 0.000 2.313 1224 Q HA 0.493 4.833 4.340 0.000 0.000 0.266 1224 Q C 0.401 176.501 176.000 0.167 0.000 0.989 1224 Q CA -0.549 55.354 55.803 0.167 0.000 0.890 1224 Q CB 0.999 29.802 28.738 0.109 0.000 1.200 1224 Q HN 0.273 nan 8.270 nan 0.000 0.396 1225 L N 4.422 125.632 121.223 -0.022 0.000 2.433 1225 L HA -0.021 4.319 4.340 0.000 0.000 0.275 1225 L C 0.330 177.108 176.870 -0.152 0.000 1.128 1225 L CA 0.730 55.420 54.840 -0.251 0.000 0.875 1225 L CB 0.832 42.593 42.059 -0.498 0.000 1.171 1225 L HN 0.662 nan 8.230 nan 0.000 0.463 1226 V N 4.642 124.517 119.914 -0.064 0.000 2.500 1226 V HA 0.384 4.504 4.120 0.000 0.000 0.243 1226 V C 0.776 176.911 176.094 0.068 0.000 1.039 1226 V CA 1.055 63.360 62.300 0.008 0.000 1.053 1226 V CB -0.184 31.674 31.823 0.058 0.000 0.695 1226 V HN 0.903 nan 8.190 nan 0.000 0.463 1227 A N -0.621 122.232 122.820 0.055 0.000 2.612 1227 A HA 0.742 5.062 4.320 0.000 0.000 0.293 1227 A C -1.195 176.320 177.584 -0.115 0.000 1.075 1227 A CA -0.428 51.601 52.037 -0.013 0.000 0.680 1227 A CB 1.870 20.856 19.000 -0.024 0.000 1.279 1227 A HN 0.162 nan 8.150 nan 0.000 0.411 1228 Q N 0.609 120.260 119.800 -0.249 0.000 2.309 1228 Q HA 0.632 4.972 4.340 0.000 0.000 0.273 1228 Q C -2.211 173.603 176.000 -0.310 0.000 1.040 1228 Q CA -0.569 55.123 55.803 -0.184 0.000 0.834 1228 Q CB 2.445 31.200 28.738 0.029 0.000 1.345 1228 Q HN 0.763 nan 8.270 nan 0.000 0.414 1229 V N 5.042 124.861 119.914 -0.159 0.000 2.376 1229 V HA 0.455 4.575 4.120 0.000 0.000 0.287 1229 V C -0.497 175.642 176.094 0.075 0.000 1.015 1229 V CA -0.737 61.550 62.300 -0.022 0.000 0.834 1229 V CB 1.394 33.298 31.823 0.136 0.000 1.001 1229 V HN 0.687 nan 8.190 nan 0.000 0.428 1230 I N 3.483 124.110 120.570 0.095 0.000 2.359 1230 I HA 0.546 4.716 4.170 0.000 0.000 0.294 1230 I C 1.138 177.334 176.117 0.132 0.000 0.987 1230 I CA -0.016 61.343 61.300 0.098 0.000 1.225 1230 I CB 0.815 38.859 38.000 0.074 0.000 1.366 1230 I HN 0.912 nan 8.210 nan 0.000 0.466 1231 G N 5.809 114.685 108.800 0.127 0.000 2.333 1231 G HA2 -0.298 3.662 3.960 0.000 0.000 0.296 1231 G HA3 -0.298 3.662 3.960 0.000 0.000 0.296 1231 G C -0.187 174.810 174.900 0.162 0.000 1.059 1231 G CA -0.235 44.935 45.100 0.118 0.000 1.050 1231 G HN 0.597 nan 8.290 nan 0.000 0.508 1232 F N 0.687 120.676 119.950 0.065 0.000 2.438 1232 F HA 0.575 5.103 4.527 0.000 0.000 0.356 1232 F C 0.459 176.309 175.800 0.082 0.000 1.099 1232 F CA -0.491 57.546 58.000 0.063 0.000 1.185 1232 F CB 0.878 39.903 39.000 0.041 0.000 1.115 1232 F HN 0.287 nan 8.300 nan 0.000 0.526 1233 E N 4.754 124.699 120.200 -0.424 0.000 2.165 1233 E HA 0.511 4.861 4.350 0.000 0.000 0.266 1233 E C -0.589 175.809 176.600 -0.337 0.000 0.889 1233 E CA -0.859 55.430 56.400 -0.186 0.000 0.756 1233 E CB 1.337 31.046 29.700 0.015 0.000 1.131 1233 E HN 0.875 nan 8.360 nan 0.000 0.411 1234 G N 3.714 112.521 108.800 0.012 0.000 2.389 1234 G HA2 0.490 4.450 3.960 0.000 0.000 0.328 1234 G HA3 0.490 4.450 3.960 0.000 0.000 0.328 1234 G C -0.682 174.438 174.900 0.367 0.000 1.133 1234 G CA -0.619 44.621 45.100 0.234 0.000 0.891 1234 G HN 0.476 nan 8.290 nan 0.000 0.485 1235 R N 1.056 121.761 120.500 0.342 0.000 2.670 1235 R HA 0.305 4.645 4.340 0.000 0.000 0.289 1235 R C -0.460 175.919 176.300 0.133 0.000 0.965 1235 R CA -1.002 55.236 56.100 0.230 0.000 0.899 1235 R CB 2.282 32.553 30.300 -0.049 0.000 1.173 1235 R HN 0.330 nan 8.270 nan 0.000 0.456 1236 K N 1.886 122.240 120.400 -0.076 0.000 2.402 1236 K HA 0.274 4.594 4.320 0.000 0.000 0.285 1236 K C -0.603 175.915 176.600 -0.137 0.000 1.054 1236 K CA 0.253 56.335 56.287 -0.341 0.000 1.001 1236 K CB 1.089 33.357 32.500 -0.387 0.000 0.946 1236 K HN 0.695 nan 8.250 nan 0.000 0.473 1237 A N 3.310 126.071 122.820 -0.098 0.000 2.594 1237 A HA 0.246 4.566 4.320 0.000 0.000 0.295 1237 A C -0.852 176.722 177.584 -0.017 0.000 1.071 1237 A CA -0.914 51.103 52.037 -0.033 0.000 0.685 1237 A CB 1.221 20.233 19.000 0.020 0.000 1.285 1237 A HN 0.624 nan 8.150 nan 0.000 0.405 1238 N N 1.601 120.294 118.700 -0.011 0.000 2.420 1238 N HA 0.282 5.022 4.740 0.000 0.000 0.262 1238 N C -1.925 173.599 175.510 0.022 0.000 1.144 1238 N CA -1.893 51.164 53.050 0.011 0.000 0.952 1238 N CB 1.112 39.590 38.487 -0.015 0.000 1.081 1238 N HN 0.179 nan 8.380 nan 0.000 0.480 1239 P HA -0.167 nan 4.420 nan 0.000 0.222 1239 P C 1.038 178.342 177.300 0.007 0.000 1.142 1239 P CA 1.105 64.268 63.100 0.106 0.000 0.788 1239 P CB 0.286 32.096 31.700 0.183 0.000 0.767 1240 K N -0.525 119.740 120.400 -0.224 0.000 2.152 1240 K HA -0.169 4.151 4.320 0.000 0.000 0.206 1240 K C 1.846 178.300 176.600 -0.242 0.000 1.048 1240 K CA 1.086 57.036 56.287 -0.562 0.000 0.933 1240 K CB -0.531 31.467 32.500 -0.836 0.000 0.721 1240 K HN 0.067 nan 8.250 nan 0.000 0.447 1241 I N 1.449 121.940 120.570 -0.131 0.000 2.361 1241 I HA -0.251 3.919 4.170 0.000 0.000 0.251 1241 I C 1.590 177.690 176.117 -0.028 0.000 1.133 1241 I CA 0.903 62.161 61.300 -0.069 0.000 1.413 1241 I CB -0.123 37.857 38.000 -0.032 0.000 1.073 1241 I HN 0.179 nan 8.210 nan 0.000 0.424 1242 L N -2.165 119.057 121.223 -0.002 0.000 2.551 1242 L HA -0.010 4.330 4.340 0.000 0.000 0.228 1242 L C 1.881 178.764 176.870 0.021 0.000 1.153 1242 L CA 1.417 56.277 54.840 0.034 0.000 0.851 1242 L CB -1.402 40.699 42.059 0.070 0.000 0.959 1242 L HN 0.122 nan 8.230 nan 0.000 0.451 1243 L N -1.304 119.907 121.223 -0.021 0.000 2.023 1243 L HA 0.066 4.406 4.340 0.000 0.000 0.205 1243 L C 1.193 178.057 176.870 -0.010 0.000 1.073 1243 L CA 1.034 55.862 54.840 -0.021 0.000 0.745 1243 L CB -0.035 41.984 42.059 -0.066 0.000 0.900 1243 L HN 0.378 nan 8.230 nan 0.000 0.435 1244 M N 0.000 119.585 119.600 -0.025 0.000 2.572 1244 M HA 0.000 4.480 4.480 0.000 0.000 0.227 1244 M CA 0.000 55.291 55.300 -0.015 0.000 0.988 1244 M CB 0.000 32.588 32.600 -0.020 0.000 1.302 1244 M HN 0.000 nan 8.290 nan 0.000 0.411