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 1c0i_1_A DATA FIRST_RESID 999 DATA SEQUENCE LMMHSQKRVV VLGSGVIGLS SALILARKGY SVHILARDLP EDVSSQTFAS DATA SEQUENCE PWAGANWTPF MTLTDGPRQA KWEESTFKKW VELVPTGHAM WLKGTRRFAQ DATA SEQUENCE NEDGLLGHWY KDITPNYRPL PSSECPPGAI GVTYDTLSVH APKYCQYLAR DATA SEQUENCE ELQKLGATFE RRTVTSLEQA FDGADLVVNA TGLGAKSIAG IDDQAAEPIR DATA SEQUENCE GQTVLVKSPC KRCTMDSSDP ASPAYIIPRP GGEVICGGTY GVGDWDLSVN DATA SEQUENCE PETVQRILKH CLRLDPTISS DGTIEGIEVL RHNVGLRPAR RGGPRVEAER DATA SEQUENCE IVLPLDRTKS PLSLGRGSAR AAKEKEVTLV HAYGFSSAGY QQSWGAAEDV DATA SEQUENCE AQLVDEAFQR YHG 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 999 L HA 0.000 nan 4.340 nan 0.000 0.249 999 L C 0.000 176.844 176.870 -0.043 0.000 1.165 999 L CA 0.000 54.844 54.840 0.006 0.000 0.813 999 L CB 0.000 42.060 42.059 0.003 0.000 0.961 1000 M N 1.361 120.901 119.600 -0.100 0.000 2.238 1000 M HA 0.444 4.924 4.480 0.000 0.000 0.350 1000 M C 0.465 176.478 176.300 -0.479 0.000 1.138 1000 M CA -0.334 54.800 55.300 -0.276 0.000 1.040 1000 M CB 2.166 34.570 32.600 -0.328 0.000 1.639 1000 M HN 0.408 nan 8.290 nan 0.000 0.451 1001 M N 4.433 123.855 119.600 -0.297 0.000 2.327 1001 M HA 0.019 4.499 4.480 0.000 0.000 0.353 1001 M C -0.995 175.118 176.300 -0.311 0.000 1.539 1001 M CA 0.827 55.998 55.300 -0.214 0.000 1.039 1001 M CB 0.097 32.633 32.600 -0.106 0.000 1.967 1001 M HN 0.519 nan 8.290 nan 0.000 0.459 1002 H N 2.493 121.568 119.070 0.008 0.000 2.529 1002 H HA 0.266 4.822 4.556 0.000 0.000 0.348 1002 H C -0.444 174.894 175.328 0.016 0.000 1.152 1002 H CA -0.569 55.486 56.048 0.011 0.000 1.202 1002 H CB 1.920 31.692 29.762 0.016 0.000 1.562 1002 H HN 0.720 nan 8.280 nan 0.000 0.515 1003 S N 1.313 117.105 115.700 0.154 0.000 2.564 1003 S HA 0.017 4.487 4.470 0.000 0.000 0.278 1003 S C 0.371 175.040 174.600 0.116 0.000 1.333 1003 S CA -0.335 57.920 58.200 0.092 0.000 1.048 1003 S CB 0.470 63.704 63.200 0.057 0.000 0.900 1003 S HN 0.594 nan 8.310 nan 0.000 0.505 1004 Q N 2.576 122.446 119.800 0.116 0.000 2.268 1004 Q HA 0.326 4.666 4.340 0.000 0.000 0.289 1004 Q C -0.552 175.616 176.000 0.280 0.000 0.893 1004 Q CA 0.064 55.974 55.803 0.178 0.000 1.057 1004 Q CB 0.572 29.407 28.738 0.162 0.000 1.173 1004 Q HN 0.575 nan 8.270 nan 0.000 0.449 1005 K N 0.589 121.100 120.400 0.185 0.000 3.163 1005 K HA 0.292 4.612 4.320 0.000 0.000 0.186 1005 K C -0.633 176.100 176.600 0.222 0.000 1.111 1005 K CA -0.223 56.159 56.287 0.159 0.000 0.918 1005 K CB 0.873 33.229 32.500 -0.240 0.000 1.059 1005 K HN 0.007 nan 8.250 nan 0.000 0.558 1006 R N 1.330 122.024 120.500 0.324 0.000 2.349 1006 R HA 0.380 4.720 4.340 0.000 0.000 0.299 1006 R C -0.286 176.151 176.300 0.229 0.000 1.027 1006 R CA -0.538 55.693 56.100 0.218 0.000 0.958 1006 R CB 1.420 31.819 30.300 0.166 0.000 1.047 1006 R HN 0.085 nan 8.270 nan 0.000 0.468 1007 V N -0.303 119.662 119.914 0.085 0.000 2.808 1007 V HA 0.470 4.590 4.120 0.000 0.000 0.308 1007 V C -0.539 175.514 176.094 -0.068 0.000 1.099 1007 V CA -0.986 61.305 62.300 -0.016 0.000 0.920 1007 V CB 2.043 33.768 31.823 -0.164 0.000 1.014 1007 V HN 0.366 nan 8.190 nan 0.000 0.425 1008 V N 4.683 124.521 119.914 -0.126 0.000 2.439 1008 V HA 0.524 4.644 4.120 0.000 0.000 0.282 1008 V C 0.051 176.006 176.094 -0.232 0.000 1.039 1008 V CA -0.397 61.788 62.300 -0.193 0.000 0.913 1008 V CB 1.707 33.380 31.823 -0.249 0.000 0.983 1008 V HN 0.801 nan 8.190 nan 0.000 0.460 1009 V N 6.382 126.156 119.914 -0.234 0.000 2.347 1009 V HA 0.366 4.486 4.120 0.000 0.000 0.280 1009 V C -0.296 175.674 176.094 -0.207 0.000 1.021 1009 V CA -0.519 61.654 62.300 -0.211 0.000 0.847 1009 V CB 1.468 33.172 31.823 -0.199 0.000 0.990 1009 V HN 0.654 nan 8.190 nan 0.000 0.444 1010 L N 5.585 126.703 121.223 -0.175 0.000 2.255 1010 L HA 0.896 5.236 4.340 0.000 0.000 0.289 1010 L C 0.316 177.132 176.870 -0.090 0.000 1.046 1010 L CA 0.768 55.517 54.840 -0.152 0.000 0.816 1010 L CB 0.589 42.554 42.059 -0.157 0.000 1.197 1010 L HN 0.920 nan 8.230 nan 0.000 0.427 1011 G N 2.745 111.499 108.800 -0.076 0.000 3.014 1011 G HA2 0.015 3.975 3.960 0.000 0.000 0.683 1011 G HA3 0.015 3.975 3.960 0.000 0.000 0.683 1011 G C -0.360 174.541 174.900 0.002 0.000 1.271 1011 G CA -0.246 44.842 45.100 -0.021 0.000 0.843 1011 G HN 0.750 nan 8.290 nan 0.000 0.612 1012 S N 0.919 116.646 115.700 0.045 0.000 2.809 1012 S HA 0.567 5.037 4.470 0.000 0.000 0.248 1012 S C 1.274 176.006 174.600 0.220 0.000 1.071 1012 S CA 0.958 59.227 58.200 0.116 0.000 1.059 1012 S CB -0.593 62.690 63.200 0.139 0.000 0.923 1012 S HN 1.741 nan 8.310 nan 0.000 0.516 1013 G N 0.275 109.221 108.800 0.244 0.000 2.535 1013 G HA2 0.329 4.289 3.960 0.000 0.000 0.282 1013 G HA3 0.329 4.289 3.960 0.000 0.000 0.282 1013 G C 1.125 176.076 174.900 0.085 0.000 1.350 1013 G CA -0.019 45.248 45.100 0.279 0.000 1.039 1013 G HN 0.330 nan 8.290 nan 0.000 0.509 1014 V N -0.124 119.753 119.914 -0.061 0.000 2.568 1014 V HA -0.127 3.993 4.120 0.000 0.000 0.253 1014 V C 2.474 178.484 176.094 -0.142 0.000 1.072 1014 V CA 1.383 63.582 62.300 -0.169 0.000 1.084 1014 V CB -0.510 30.929 31.823 -0.640 0.000 0.676 1014 V HN 0.524 nan 8.190 nan 0.000 0.469 1015 I N 0.729 121.202 120.570 -0.161 0.000 2.233 1015 I HA -0.026 4.144 4.170 0.000 0.000 0.243 1015 I C 2.714 178.759 176.117 -0.121 0.000 1.093 1015 I CA 1.709 62.884 61.300 -0.208 0.000 1.380 1015 I CB -2.043 35.825 38.000 -0.220 0.000 1.067 1015 I HN 0.391 nan 8.210 nan 0.000 0.413 1016 G N 1.135 109.908 108.800 -0.046 0.000 2.418 1016 G HA2 -0.184 3.776 3.960 0.000 0.000 0.217 1016 G HA3 -0.184 3.776 3.960 0.000 0.000 0.217 1016 G C 1.873 176.731 174.900 -0.070 0.000 1.158 1016 G CA 0.421 45.488 45.100 -0.055 0.000 0.771 1016 G HN 0.282 nan 8.290 nan 0.000 0.545 1017 L N 0.891 122.103 121.223 -0.020 0.000 2.012 1017 L HA -0.120 4.220 4.340 0.000 0.000 0.210 1017 L C 3.218 180.058 176.870 -0.049 0.000 1.073 1017 L CA 1.548 56.387 54.840 -0.002 0.000 0.748 1017 L CB -0.373 41.722 42.059 0.059 0.000 0.891 1017 L HN 0.194 nan 8.230 nan 0.000 0.431 1018 S N -0.916 114.748 115.700 -0.060 0.000 2.402 1018 S HA -0.126 4.344 4.470 0.000 0.000 0.229 1018 S C 2.148 176.593 174.600 -0.258 0.000 1.021 1018 S CA 1.227 59.372 58.200 -0.092 0.000 0.974 1018 S CB -0.116 63.062 63.200 -0.037 0.000 0.800 1018 S HN 0.347 nan 8.310 nan 0.000 0.484 1019 S N 2.296 117.853 115.700 -0.238 0.000 2.356 1019 S HA -0.057 4.413 4.470 0.000 0.000 0.223 1019 S C 2.378 176.839 174.600 -0.232 0.000 1.032 1019 S CA 1.021 59.064 58.200 -0.262 0.000 1.005 1019 S CB -0.681 62.392 63.200 -0.212 0.000 0.867 1019 S HN 0.630 nan 8.310 nan 0.000 0.449 1020 A N 1.505 124.212 122.820 -0.187 0.000 1.917 1020 A HA -0.117 4.203 4.320 0.000 0.000 0.219 1020 A C 2.152 179.650 177.584 -0.144 0.000 1.182 1020 A CA 1.622 53.554 52.037 -0.175 0.000 0.633 1020 A CB -0.798 18.091 19.000 -0.186 0.000 0.819 1020 A HN 0.403 nan 8.150 nan 0.000 0.448 1021 L N -0.010 121.140 121.223 -0.122 0.000 2.056 1021 L HA -0.075 4.265 4.340 0.000 0.000 0.207 1021 L C 2.244 179.073 176.870 -0.069 0.000 1.078 1021 L CA 1.711 56.512 54.840 -0.065 0.000 0.749 1021 L CB -0.437 41.632 42.059 0.016 0.000 0.901 1021 L HN 0.459 nan 8.230 nan 0.000 0.433 1022 I N -1.287 119.169 120.570 -0.189 0.000 2.315 1022 I HA -0.299 3.871 4.170 0.000 0.000 0.248 1022 I C 2.359 178.419 176.117 -0.095 0.000 1.117 1022 I CA 1.053 62.241 61.300 -0.188 0.000 1.404 1022 I CB -0.330 37.419 38.000 -0.418 0.000 1.071 1022 I HN 0.264 nan 8.210 nan 0.000 0.419 1023 L N 0.680 121.832 121.223 -0.118 0.000 2.046 1023 L HA -0.181 4.159 4.340 0.000 0.000 0.208 1023 L C 2.906 179.833 176.870 0.096 0.000 1.077 1023 L CA 1.331 56.151 54.840 -0.034 0.000 0.747 1023 L CB -0.671 41.256 42.059 -0.220 0.000 0.896 1023 L HN 0.229 nan 8.230 nan 0.000 0.432 1024 A N 0.022 122.846 122.820 0.006 0.000 1.902 1024 A HA -0.184 4.136 4.320 0.000 0.000 0.217 1024 A C 2.357 179.944 177.584 0.005 0.000 1.181 1024 A CA 1.292 53.333 52.037 0.005 0.000 0.623 1024 A CB -0.427 18.555 19.000 -0.029 0.000 0.818 1024 A HN 0.302 nan 8.150 nan 0.000 0.443 1025 R N -0.025 120.482 120.500 0.011 0.000 2.120 1025 R HA -0.078 4.262 4.340 0.000 0.000 0.234 1025 R C 1.544 177.848 176.300 0.007 0.000 1.123 1025 R CA 1.385 57.496 56.100 0.019 0.000 0.975 1025 R CB -0.363 29.968 30.300 0.053 0.000 0.866 1025 R HN 0.527 nan 8.270 nan 0.000 0.446 1026 K N -0.373 120.039 120.400 0.020 0.000 2.525 1026 K HA 0.021 4.341 4.320 0.000 0.000 0.192 1026 K C 0.956 177.479 176.600 -0.128 0.000 1.029 1026 K CA 0.617 56.898 56.287 -0.010 0.000 1.029 1026 K CB 0.356 32.903 32.500 0.078 0.000 0.814 1026 K HN 0.426 nan 8.250 nan 0.000 0.503 1027 G N 0.219 108.952 108.800 -0.113 0.000 2.179 1027 G HA2 -0.258 3.702 3.960 0.000 0.000 0.220 1027 G HA3 -0.258 3.702 3.960 0.000 0.000 0.220 1027 G C -0.200 174.546 174.900 -0.255 0.000 0.990 1027 G CA -0.505 44.482 45.100 -0.188 0.000 0.646 1027 G HN 0.209 nan 8.290 nan 0.000 0.517 1028 Y N 1.391 121.605 120.300 -0.143 0.000 2.457 1028 Y HA 0.469 5.019 4.550 0.000 0.000 0.341 1028 Y C 1.250 177.082 175.900 -0.114 0.000 1.240 1028 Y CA 0.884 58.880 58.100 -0.173 0.000 1.437 1028 Y CB 1.124 39.444 38.460 -0.234 0.000 1.328 1028 Y HN 0.129 nan 8.280 nan 0.000 0.588 1029 S N 2.112 117.858 115.700 0.078 0.000 2.452 1029 S HA 0.541 5.011 4.470 0.000 0.000 0.284 1029 S C -1.084 173.536 174.600 0.033 0.000 1.171 1029 S CA -0.638 57.585 58.200 0.038 0.000 1.064 1029 S CB -0.140 63.083 63.200 0.038 0.000 0.967 1029 S HN 0.415 nan 8.310 nan 0.000 0.484 1030 V N 6.640 126.550 119.914 -0.006 0.000 2.487 1030 V HA 0.431 4.551 4.120 0.000 0.000 0.298 1030 V C -0.224 175.855 176.094 -0.026 0.000 1.028 1030 V CA -0.786 61.488 62.300 -0.043 0.000 0.860 1030 V CB 1.533 33.296 31.823 -0.099 0.000 0.991 1030 V HN 0.954 nan 8.190 nan 0.000 0.427 1031 H N 4.907 123.885 119.070 -0.152 0.000 2.489 1031 H HA 0.654 5.210 4.556 0.000 0.000 0.343 1031 H C -1.323 173.872 175.328 -0.222 0.000 1.086 1031 H CA -0.945 54.997 56.048 -0.177 0.000 1.198 1031 H CB 1.743 31.439 29.762 -0.110 0.000 1.490 1031 H HN 0.552 nan 8.280 nan 0.000 0.504 1032 I N 6.057 126.396 120.570 -0.386 0.000 2.336 1032 I HA 0.167 4.337 4.170 0.000 0.000 0.292 1032 I C -0.533 175.277 176.117 -0.512 0.000 0.991 1032 I CA -0.360 60.666 61.300 -0.457 0.000 1.227 1032 I CB 1.391 39.078 38.000 -0.521 0.000 1.366 1032 I HN 0.358 nan 8.210 nan 0.000 0.466 1033 L N 6.694 127.670 121.223 -0.413 0.000 2.325 1033 L HA 0.898 5.238 4.340 0.000 0.000 0.281 1033 L C -0.290 176.484 176.870 -0.160 0.000 1.004 1033 L CA -0.408 54.250 54.840 -0.304 0.000 0.823 1033 L CB 1.541 43.414 42.059 -0.310 0.000 1.236 1033 L HN 0.770 nan 8.230 nan 0.000 0.415 1034 A N 2.952 125.713 122.820 -0.099 0.000 2.605 1034 A HA 0.447 4.767 4.320 0.000 0.000 0.294 1034 A C 0.109 177.640 177.584 -0.088 0.000 1.062 1034 A CA -0.662 51.323 52.037 -0.086 0.000 0.682 1034 A CB 1.727 20.684 19.000 -0.071 0.000 1.278 1034 A HN 0.782 nan 8.150 nan 0.000 0.410 1035 R N 0.212 120.648 120.500 -0.107 0.000 2.062 1035 R HA -0.029 4.311 4.340 0.000 0.000 0.229 1035 R C -0.612 175.580 176.300 -0.181 0.000 1.128 1035 R CA 1.509 57.543 56.100 -0.110 0.000 0.960 1035 R CB 0.069 30.317 30.300 -0.087 0.000 0.855 1035 R HN 0.794 nan 8.270 nan 0.000 0.432 1036 D N 0.925 121.119 120.400 -0.344 0.000 2.256 1036 D HA 0.258 4.898 4.640 0.000 0.000 0.240 1036 D C -0.563 175.385 176.300 -0.586 0.000 1.062 1036 D CA -0.236 53.371 54.000 -0.655 0.000 0.832 1036 D CB 2.106 42.027 40.800 -1.465 0.000 1.135 1036 D HN 0.126 nan 8.370 nan 0.000 0.484 1037 L N 2.223 123.252 121.223 -0.324 0.000 2.313 1037 L HA 0.302 4.642 4.340 0.000 0.000 0.268 1037 L C -1.578 175.307 176.870 0.024 0.000 1.010 1037 L CA -2.163 52.610 54.840 -0.112 0.000 0.814 1037 L CB 1.907 43.913 42.059 -0.089 0.000 1.304 1037 L HN 0.043 nan 8.230 nan 0.000 0.441 1038 P HA -0.178 nan 4.420 nan 0.000 0.219 1038 P C 0.965 178.295 177.300 0.049 0.000 1.146 1038 P CA 0.936 64.092 63.100 0.093 0.000 0.808 1038 P CB 0.087 31.785 31.700 -0.003 0.000 0.779 1039 E N -0.382 119.807 120.200 -0.020 0.000 2.409 1039 E HA -0.128 4.222 4.350 0.000 0.000 0.198 1039 E C -0.263 176.356 176.600 0.031 0.000 1.024 1039 E CA 0.885 57.277 56.400 -0.013 0.000 0.861 1039 E CB -0.843 28.830 29.700 -0.044 0.000 0.788 1039 E HN 0.284 nan 8.360 nan 0.000 0.521 1040 D N 2.597 123.046 120.400 0.082 0.000 2.558 1040 D HA 0.029 4.669 4.640 0.000 0.000 0.221 1040 D C 1.256 177.652 176.300 0.160 0.000 1.143 1040 D CA -0.010 54.062 54.000 0.121 0.000 1.010 1040 D CB 1.174 42.046 40.800 0.120 0.000 1.068 1040 D HN 0.114 nan 8.370 nan 0.000 0.511 1041 V N -0.304 119.635 119.914 0.042 0.000 3.510 1041 V HA -0.037 4.083 4.120 0.000 0.000 0.270 1041 V C 1.266 177.236 176.094 -0.206 0.000 1.201 1041 V CA 0.969 63.211 62.300 -0.096 0.000 1.166 1041 V CB -0.478 31.305 31.823 -0.066 0.000 0.825 1041 V HN 0.320 nan 8.190 nan 0.000 0.484 1042 S N -1.066 114.639 115.700 0.009 0.000 2.846 1042 S HA 0.302 4.772 4.470 0.000 0.000 0.249 1042 S C 0.598 175.480 174.600 0.471 0.000 1.028 1042 S CA 0.306 58.625 58.200 0.199 0.000 1.043 1042 S CB -0.018 63.341 63.200 0.264 0.000 0.990 1042 S HN 0.599 nan 8.310 nan 0.000 0.564 1043 S N 1.229 117.163 115.700 0.389 0.000 2.528 1043 S HA 0.252 4.722 4.470 0.000 0.000 0.277 1043 S C 0.721 175.765 174.600 0.740 0.000 1.297 1043 S CA -0.371 58.123 58.200 0.490 0.000 1.052 1043 S CB 0.829 64.286 63.200 0.429 0.000 0.917 1043 S HN 0.551 nan 8.310 nan 0.000 0.492 1044 Q N 2.444 122.569 119.800 0.542 0.000 2.360 1044 Q HA 0.048 4.388 4.340 0.000 0.000 0.202 1044 Q C 1.118 177.354 176.000 0.394 0.000 0.915 1044 Q CA 0.499 56.572 55.803 0.449 0.000 0.943 1044 Q CB 0.203 29.026 28.738 0.140 0.000 1.064 1044 Q HN 0.958 nan 8.270 nan 0.000 0.511 1045 T N -1.748 113.059 114.554 0.423 0.000 3.188 1045 T HA 0.221 4.571 4.350 0.000 0.000 0.250 1045 T C 0.210 175.171 174.700 0.435 0.000 1.077 1045 T CA -0.411 61.891 62.100 0.337 0.000 0.967 1045 T CB -0.454 68.544 68.868 0.217 0.000 1.006 1045 T HN 0.265 nan 8.240 nan 0.000 0.552 1046 F N -2.419 117.674 119.950 0.239 0.000 2.692 1046 F HA 0.827 5.354 4.527 0.000 0.000 0.320 1046 F C 0.874 176.861 175.800 0.311 0.000 1.123 1046 F CA -1.697 56.430 58.000 0.210 0.000 0.961 1046 F CB 1.038 40.127 39.000 0.148 0.000 1.383 1046 F HN -0.166 nan 8.300 nan 0.000 0.483 1047 A N 0.451 123.386 122.820 0.192 0.000 2.063 1047 A HA 0.135 4.455 4.320 0.000 0.000 0.211 1047 A C 1.801 179.380 177.584 -0.008 0.000 1.177 1047 A CA 0.954 53.105 52.037 0.191 0.000 0.759 1047 A CB -0.910 18.202 19.000 0.188 0.000 0.857 1047 A HN 0.722 nan 8.150 nan 0.000 0.468 1048 S N 0.893 116.399 115.700 -0.323 0.000 2.400 1048 S HA -0.075 4.395 4.470 0.000 0.000 0.232 1048 S C -0.661 173.742 174.600 -0.328 0.000 1.025 1048 S CA 1.699 59.794 58.200 -0.176 0.000 0.993 1048 S CB -0.891 62.191 63.200 -0.197 0.000 0.808 1048 S HN 0.484 nan 8.310 nan 0.000 0.478 1049 P HA -0.021 nan 4.420 nan 0.000 0.226 1049 P C 0.282 177.104 177.300 -0.796 0.000 1.153 1049 P CA 0.793 63.359 63.100 -0.891 0.000 0.777 1049 P CB -0.155 30.689 31.700 -1.428 0.000 0.794 1050 W N -0.737 120.512 121.300 -0.084 0.000 3.211 1050 W HA 0.435 5.095 4.660 0.000 0.000 0.292 1050 W C 1.000 177.486 176.519 -0.056 0.000 1.268 1050 W CA -0.524 56.791 57.345 -0.049 0.000 1.702 1050 W CB -0.247 29.200 29.460 -0.022 0.000 1.092 1050 W HN -0.195 nan 8.180 nan 0.000 0.643 1051 A N 0.764 123.597 122.820 0.021 0.000 2.346 1051 A HA 0.483 4.803 4.320 0.000 0.000 0.252 1051 A C 1.713 179.189 177.584 -0.181 0.000 1.089 1051 A CA 0.390 52.370 52.037 -0.095 0.000 0.797 1051 A CB 0.015 18.803 19.000 -0.352 0.000 1.047 1051 A HN 0.302 nan 8.150 nan 0.000 0.494 1052 G N 0.310 109.027 108.800 -0.139 0.000 2.586 1052 G HA2 0.161 4.121 3.960 0.000 0.000 0.218 1052 G HA3 0.161 4.121 3.960 0.000 0.000 0.218 1052 G C 0.736 175.498 174.900 -0.230 0.000 1.216 1052 G CA 1.381 46.408 45.100 -0.122 0.000 0.786 1052 G HN 1.643 nan 8.290 nan 0.000 0.583 1053 A N 0.192 122.811 122.820 -0.334 0.000 2.287 1053 A HA 0.616 4.936 4.320 0.000 0.000 0.317 1053 A C 0.018 177.530 177.584 -0.120 0.000 1.220 1053 A CA -0.403 51.448 52.037 -0.310 0.000 0.835 1053 A CB 0.464 19.035 19.000 -0.715 0.000 1.180 1053 A HN 0.728 nan 8.150 nan 0.000 0.500 1054 N N 0.673 119.395 118.700 0.037 0.000 2.815 1054 N HA 0.565 5.305 4.740 0.000 0.000 0.315 1054 N C -0.956 174.777 175.510 0.372 0.000 1.320 1054 N CA -0.904 52.254 53.050 0.181 0.000 0.846 1054 N CB 1.043 39.596 38.487 0.111 0.000 1.344 1054 N HN 0.619 nan 8.380 nan 0.000 0.593 1055 W N 1.029 122.450 121.300 0.200 0.000 2.282 1055 W HA 0.410 5.070 4.660 0.000 0.000 0.322 1055 W C -1.250 175.210 176.519 -0.100 0.000 1.011 1055 W CA -0.227 57.169 57.345 0.085 0.000 1.392 1055 W CB 0.908 30.485 29.460 0.196 0.000 1.215 1055 W HN 0.373 nan 8.180 nan 0.000 0.394 1056 T N 7.405 121.716 114.554 -0.406 0.000 3.068 1056 T HA 0.230 4.580 4.350 0.000 0.000 0.364 1056 T C -2.595 171.324 174.700 -1.302 0.000 1.161 1056 T CA -1.275 60.410 62.100 -0.692 0.000 1.155 1056 T CB 0.978 69.540 68.868 -0.509 0.000 1.060 1056 T HN 0.034 nan 8.240 nan 0.000 0.513 1057 P HA 0.163 nan 4.420 nan 0.000 0.265 1057 P C -0.243 176.608 177.300 -0.750 0.000 1.187 1057 P CA 0.018 62.516 63.100 -1.002 0.000 0.766 1057 P CB 0.356 31.442 31.700 -1.024 0.000 0.820 1058 F N 0.473 120.363 119.950 -0.100 0.000 2.746 1058 F HA 0.343 4.870 4.527 0.000 0.000 0.320 1058 F C 0.861 176.672 175.800 0.019 0.000 1.097 1058 F CA 0.036 58.012 58.000 -0.040 0.000 1.195 1058 F CB 0.319 39.291 39.000 -0.047 0.000 1.056 1058 F HN 0.143 nan 8.300 nan 0.000 0.562 1059 M N -0.396 119.323 119.600 0.198 0.000 2.658 1059 M HA 0.365 4.845 4.480 0.000 0.000 0.295 1059 M C 0.037 176.417 176.300 0.133 0.000 1.248 1059 M CA -0.981 54.394 55.300 0.124 0.000 0.843 1059 M CB 2.024 34.645 32.600 0.035 0.000 1.749 1059 M HN -0.070 nan 8.290 nan 0.000 0.464 1060 T N -1.200 113.387 114.554 0.055 0.000 2.802 1060 T HA 0.292 4.642 4.350 0.000 0.000 0.305 1060 T C 1.120 175.696 174.700 -0.205 0.000 1.053 1060 T CA -0.635 61.471 62.100 0.010 0.000 1.058 1060 T CB 0.535 69.404 68.868 0.003 0.000 0.988 1060 T HN 0.607 nan 8.240 nan 0.000 0.539 1061 L N 0.449 121.499 121.223 -0.289 0.000 2.046 1061 L HA -0.113 4.227 4.340 0.000 0.000 0.208 1061 L C 3.120 179.841 176.870 -0.249 0.000 1.077 1061 L CA 1.533 56.132 54.840 -0.402 0.000 0.747 1061 L CB -1.171 40.699 42.059 -0.314 0.000 0.896 1061 L HN 0.837 nan 8.230 nan 0.000 0.432 1062 T N -0.891 113.573 114.554 -0.150 0.000 2.737 1062 T HA -0.159 4.191 4.350 0.000 0.000 0.265 1062 T C 1.427 176.060 174.700 -0.111 0.000 1.038 1062 T CA 1.465 63.499 62.100 -0.111 0.000 1.144 1062 T CB -0.165 68.663 68.868 -0.067 0.000 0.866 1062 T HN 0.304 nan 8.240 nan 0.000 0.434 1063 D N 0.707 121.049 120.400 -0.097 0.000 2.224 1063 D HA 0.065 4.705 4.640 0.000 0.000 0.205 1063 D C 1.337 177.566 176.300 -0.117 0.000 0.965 1063 D CA 0.718 54.668 54.000 -0.083 0.000 0.852 1063 D CB -0.097 40.676 40.800 -0.045 0.000 0.947 1063 D HN 0.460 nan 8.370 nan 0.000 0.494 1064 G N 0.758 109.455 108.800 -0.172 0.000 4.740 1064 G HA2 0.232 4.192 3.960 0.000 0.000 0.290 1064 G HA3 0.232 4.192 3.960 0.000 0.000 0.290 1064 G C -1.953 172.746 174.900 -0.334 0.000 1.333 1064 G CA -0.806 44.164 45.100 -0.217 0.000 0.923 1064 G HN -0.082 nan 8.290 nan 0.000 0.559 1065 P HA -0.147 nan 4.420 nan 0.000 0.215 1065 P C 1.718 178.736 177.300 -0.471 0.000 1.153 1065 P CA 0.822 63.701 63.100 -0.367 0.000 0.853 1065 P CB 0.450 31.988 31.700 -0.270 0.000 0.788 1066 R N -0.390 119.765 120.500 -0.575 0.000 2.073 1066 R HA -0.090 4.250 4.340 0.000 0.000 0.229 1066 R C 2.661 178.265 176.300 -1.161 0.000 1.120 1066 R CA 1.239 56.739 56.100 -1.000 0.000 0.967 1066 R CB -0.735 28.800 30.300 -1.275 0.000 0.862 1066 R HN 0.168 nan 8.270 nan 0.000 0.436 1067 Q N 0.477 119.848 119.800 -0.715 0.000 2.096 1067 Q HA -0.196 4.144 4.340 0.000 0.000 0.208 1067 Q C 2.127 178.009 176.000 -0.197 0.000 0.993 1067 Q CA 2.315 57.955 55.803 -0.273 0.000 0.862 1067 Q CB -0.313 28.351 28.738 -0.123 0.000 0.915 1067 Q HN 0.407 nan 8.270 nan 0.000 0.416 1068 A N 0.618 123.196 122.820 -0.403 0.000 1.898 1068 A HA -0.208 4.112 4.320 0.000 0.000 0.216 1068 A C 1.993 179.443 177.584 -0.222 0.000 1.181 1068 A CA 1.578 53.278 52.037 -0.562 0.000 0.620 1068 A CB -0.502 17.683 19.000 -1.359 0.000 0.819 1068 A HN 0.283 nan 8.150 nan 0.000 0.442 1069 K N -1.262 118.972 120.400 -0.277 0.000 2.032 1069 K HA -0.207 4.113 4.320 0.000 0.000 0.209 1069 K C 1.831 178.515 176.600 0.140 0.000 1.048 1069 K CA 1.818 58.047 56.287 -0.096 0.000 0.927 1069 K CB -0.278 32.098 32.500 -0.207 0.000 0.712 1069 K HN 0.636 nan 8.250 nan 0.000 0.441 1070 W N 1.526 122.863 121.300 0.062 0.000 2.388 1070 W HA -0.058 4.603 4.660 0.000 0.000 0.294 1070 W C 1.906 178.516 176.519 0.151 0.000 1.212 1070 W CA 0.693 58.094 57.345 0.094 0.000 1.271 1070 W CB -0.816 28.691 29.460 0.079 0.000 1.126 1070 W HN 0.287 nan 8.180 nan 0.000 0.535 1071 E N 0.247 120.678 120.200 0.385 0.000 2.051 1071 E HA -0.232 4.118 4.350 0.000 0.000 0.192 1071 E C 1.934 179.009 176.600 0.792 0.000 0.991 1071 E CA 1.605 58.269 56.400 0.439 0.000 0.799 1071 E CB -0.353 29.392 29.700 0.076 0.000 0.748 1071 E HN 0.274 nan 8.360 nan 0.000 0.449 1072 E N 0.456 121.055 120.200 0.665 0.000 2.085 1072 E HA -0.239 4.111 4.350 0.000 0.000 0.194 1072 E C 2.093 178.900 176.600 0.345 0.000 0.994 1072 E CA 1.448 58.158 56.400 0.517 0.000 0.801 1072 E CB -0.066 29.878 29.700 0.406 0.000 0.743 1072 E HN 0.072 nan 8.360 nan 0.000 0.453 1073 S N -0.971 114.924 115.700 0.325 0.000 2.368 1073 S HA -0.129 4.341 4.470 0.000 0.000 0.224 1073 S C 1.980 176.720 174.600 0.233 0.000 1.029 1073 S CA 1.771 60.139 58.200 0.280 0.000 0.988 1073 S CB -0.469 62.921 63.200 0.317 0.000 0.838 1073 S HN 0.390 nan 8.310 nan 0.000 0.462 1074 T N 1.236 115.922 114.554 0.220 0.000 2.833 1074 T HA -0.033 4.317 4.350 0.000 0.000 0.269 1074 T C 1.296 175.818 174.700 -0.297 0.000 1.054 1074 T CA 1.306 63.376 62.100 -0.051 0.000 1.135 1074 T CB -0.514 68.264 68.868 -0.151 0.000 0.869 1074 T HN 0.490 nan 8.240 nan 0.000 0.466 1075 F N 2.451 122.229 119.950 -0.286 0.000 2.095 1075 F HA -0.135 4.392 4.527 0.000 0.000 0.298 1075 F C 2.190 177.827 175.800 -0.271 0.000 1.104 1075 F CA 1.367 59.046 58.000 -0.535 0.000 1.232 1075 F CB -0.142 38.343 39.000 -0.858 0.000 0.987 1075 F HN 0.029 nan 8.300 nan 0.000 0.475 1076 K N -0.221 120.216 120.400 0.062 0.000 2.152 1076 K HA -0.243 4.077 4.320 0.000 0.000 0.206 1076 K C 1.987 178.543 176.600 -0.073 0.000 1.048 1076 K CA 1.619 57.926 56.287 0.034 0.000 0.933 1076 K CB -0.319 32.230 32.500 0.083 0.000 0.721 1076 K HN 0.146 nan 8.250 nan 0.000 0.447 1077 K N 0.650 120.967 120.400 -0.139 0.000 2.062 1077 K HA -0.127 4.193 4.320 0.000 0.000 0.205 1077 K C 1.646 178.221 176.600 -0.042 0.000 1.051 1077 K CA 1.088 57.240 56.287 -0.224 0.000 0.941 1077 K CB -0.150 32.032 32.500 -0.530 0.000 0.719 1077 K HN 0.137 nan 8.250 nan 0.000 0.440 1078 W N 0.523 121.638 121.300 -0.307 0.000 2.388 1078 W HA -0.057 4.604 4.660 0.000 0.000 0.294 1078 W C 2.011 178.258 176.519 -0.455 0.000 1.212 1078 W CA 0.459 57.582 57.345 -0.369 0.000 1.271 1078 W CB -1.001 28.169 29.460 -0.484 0.000 1.126 1078 W HN -0.098 nan 8.180 nan 0.000 0.535 1079 V N 0.922 120.667 119.914 -0.283 0.000 2.282 1079 V HA -0.324 3.796 4.120 0.000 0.000 0.249 1079 V C 2.019 178.047 176.094 -0.109 0.000 1.057 1079 V CA 2.324 64.472 62.300 -0.253 0.000 1.032 1079 V CB -0.874 30.884 31.823 -0.108 0.000 0.645 1079 V HN 0.210 nan 8.190 nan 0.000 0.447 1080 E N -0.227 119.930 120.200 -0.072 0.000 2.333 1080 E HA -0.154 4.196 4.350 0.000 0.000 0.198 1080 E C 1.897 178.469 176.600 -0.047 0.000 1.007 1080 E CA 0.897 57.271 56.400 -0.043 0.000 0.845 1080 E CB -0.148 29.520 29.700 -0.053 0.000 0.766 1080 E HN 0.554 nan 8.360 nan 0.000 0.507 1081 L N 0.139 121.320 121.223 -0.071 0.000 2.585 1081 L HA 0.014 4.354 4.340 0.000 0.000 0.226 1081 L C 2.111 178.911 176.870 -0.117 0.000 1.113 1081 L CA -0.139 54.658 54.840 -0.071 0.000 0.876 1081 L CB 0.210 42.234 42.059 -0.058 0.000 1.072 1081 L HN -0.022 nan 8.230 nan 0.000 0.468 1082 V N 1.081 120.909 119.914 -0.144 0.000 2.261 1082 V HA -0.160 3.960 4.120 0.000 0.000 0.246 1082 V C -0.015 176.034 176.094 -0.075 0.000 1.047 1082 V CA 2.013 64.227 62.300 -0.144 0.000 1.015 1082 V CB -1.318 30.432 31.823 -0.121 0.000 0.642 1082 V HN 0.322 nan 8.190 nan 0.000 0.446 1083 P HA -0.171 nan 4.420 nan 0.000 0.217 1083 P C 1.550 178.820 177.300 -0.051 0.000 1.151 1083 P CA 2.275 65.363 63.100 -0.021 0.000 0.849 1083 P CB -0.260 31.439 31.700 -0.001 0.000 0.787 1084 T N -6.202 108.313 114.554 -0.065 0.000 3.086 1084 T HA 0.397 4.747 4.350 0.000 0.000 0.250 1084 T C 1.441 175.971 174.700 -0.283 0.000 1.074 1084 T CA 0.331 62.374 62.100 -0.096 0.000 0.988 1084 T CB -0.477 68.409 68.868 0.029 0.000 0.988 1084 T HN 0.249 nan 8.240 nan 0.000 0.530 1085 G N 1.600 110.239 108.800 -0.268 0.000 2.159 1085 G HA2 -0.270 3.690 3.960 0.000 0.000 0.256 1085 G HA3 -0.270 3.690 3.960 0.000 0.000 0.256 1085 G C 0.574 175.179 174.900 -0.492 0.000 0.977 1085 G CA 0.297 45.186 45.100 -0.352 0.000 0.652 1085 G HN 0.633 nan 8.290 nan 0.000 0.531 1086 H N 0.123 119.014 119.070 -0.297 0.000 2.547 1086 H HA 0.537 5.093 4.556 0.000 0.000 0.266 1086 H C 1.348 176.485 175.328 -0.318 0.000 0.988 1086 H CA 1.287 57.121 56.048 -0.356 0.000 1.147 1086 H CB 0.445 29.811 29.762 -0.659 0.000 1.365 1086 H HN 0.871 nan 8.280 nan 0.000 0.589 1087 A N 0.723 123.371 122.820 -0.287 0.000 2.556 1087 A HA 0.617 4.937 4.320 0.000 0.000 0.294 1087 A C -0.873 176.492 177.584 -0.365 0.000 1.091 1087 A CA -0.778 51.001 52.037 -0.429 0.000 0.704 1087 A CB 2.402 21.087 19.000 -0.524 0.000 1.300 1087 A HN 0.200 nan 8.150 nan 0.000 0.406 1088 M N 1.180 120.552 119.600 -0.381 0.000 2.326 1088 M HA 0.524 5.004 4.480 0.000 0.000 0.292 1088 M C -2.008 174.151 176.300 -0.235 0.000 1.081 1088 M CA -0.332 54.820 55.300 -0.245 0.000 0.919 1088 M CB 1.183 33.691 32.600 -0.154 0.000 1.634 1088 M HN 0.745 nan 8.290 nan 0.000 0.451 1089 W N 5.186 126.443 121.300 -0.072 0.000 2.210 1089 W HA 0.324 4.984 4.660 0.000 0.000 0.330 1089 W C -0.660 175.850 176.519 -0.015 0.000 1.334 1089 W CA -0.273 57.054 57.345 -0.031 0.000 1.227 1089 W CB 0.432 29.883 29.460 -0.016 0.000 1.178 1089 W HN 0.473 nan 8.180 nan 0.000 0.560 1090 L N 4.986 126.390 121.223 0.301 0.000 2.435 1090 L HA 0.289 4.629 4.340 0.000 0.000 0.253 1090 L C 0.030 177.024 176.870 0.207 0.000 1.087 1090 L CA -0.709 54.244 54.840 0.187 0.000 0.950 1090 L CB -0.027 42.111 42.059 0.131 0.000 1.304 1090 L HN 0.326 nan 8.230 nan 0.000 0.453 1091 K N 0.834 121.328 120.400 0.156 0.000 2.202 1091 K HA 0.404 4.724 4.320 0.000 0.000 0.264 1091 K C 1.168 177.778 176.600 0.017 0.000 1.010 1091 K CA 0.517 56.856 56.287 0.086 0.000 0.940 1091 K CB 0.867 33.380 32.500 0.021 0.000 0.983 1091 K HN 0.583 nan 8.250 nan 0.000 0.475 1092 G N 1.731 110.518 108.800 -0.022 0.000 2.258 1092 G HA2 -0.284 3.676 3.960 0.000 0.000 0.274 1092 G HA3 -0.284 3.676 3.960 0.000 0.000 0.274 1092 G C 0.099 174.915 174.900 -0.141 0.000 1.021 1092 G CA 0.439 45.492 45.100 -0.079 0.000 0.798 1092 G HN 0.589 nan 8.290 nan 0.000 0.507 1093 T N 0.118 114.560 114.554 -0.186 0.000 2.946 1093 T HA 0.299 4.649 4.350 0.000 0.000 0.312 1093 T C 0.924 175.325 174.700 -0.497 0.000 1.066 1093 T CA 0.448 62.358 62.100 -0.317 0.000 1.138 1093 T CB 0.549 69.189 68.868 -0.380 0.000 1.014 1093 T HN 0.502 nan 8.240 nan 0.000 0.544 1094 R N 1.686 121.917 120.500 -0.448 0.000 2.494 1094 R HA 0.497 4.838 4.340 0.000 0.000 0.305 1094 R C -0.103 175.748 176.300 -0.747 0.000 0.959 1094 R CA -0.787 54.953 56.100 -0.600 0.000 0.864 1094 R CB 1.732 31.710 30.300 -0.537 0.000 1.159 1094 R HN 0.483 nan 8.270 nan 0.000 0.446 1095 R N 4.336 124.426 120.500 -0.684 0.000 2.409 1095 R HA 0.310 4.650 4.340 0.000 0.000 0.313 1095 R C -1.404 174.681 176.300 -0.357 0.000 0.953 1095 R CA -0.366 55.486 56.100 -0.413 0.000 0.849 1095 R CB 0.706 31.012 30.300 0.011 0.000 1.171 1095 R HN 0.460 nan 8.270 nan 0.000 0.458 1096 F N 3.376 123.371 119.950 0.076 0.000 2.415 1096 F HA 0.667 5.194 4.527 0.000 0.000 0.348 1096 F C 0.542 176.395 175.800 0.088 0.000 1.119 1096 F CA -0.785 57.261 58.000 0.076 0.000 1.069 1096 F CB 2.078 41.121 39.000 0.072 0.000 1.124 1096 F HN 0.571 nan 8.300 nan 0.000 0.472 1097 A N 2.583 125.562 122.820 0.264 0.000 2.437 1097 A HA 0.430 4.750 4.320 0.000 0.000 0.292 1097 A C 0.457 178.127 177.584 0.143 0.000 1.173 1097 A CA -0.667 51.475 52.037 0.176 0.000 0.785 1097 A CB 1.581 20.664 19.000 0.138 0.000 1.351 1097 A HN 0.811 nan 8.150 nan 0.000 0.431 1098 Q N -0.443 119.420 119.800 0.106 0.000 2.172 1098 Q HA -0.067 4.273 4.340 0.000 0.000 0.200 1098 Q C -0.203 175.840 176.000 0.071 0.000 0.964 1098 Q CA 1.649 57.499 55.803 0.079 0.000 0.855 1098 Q CB -0.062 28.713 28.738 0.063 0.000 0.918 1098 Q HN 0.827 nan 8.270 nan 0.000 0.444 1099 N N -2.563 116.183 118.700 0.076 0.000 3.020 1099 N HA -0.005 4.735 4.740 0.000 0.000 0.248 1099 N C -0.214 175.342 175.510 0.077 0.000 1.480 1099 N CA -0.458 52.634 53.050 0.070 0.000 0.874 1099 N CB 0.402 38.922 38.487 0.055 0.000 1.433 1099 N HN -0.285 nan 8.380 nan 0.000 0.530 1100 E N -0.335 119.911 120.200 0.077 0.000 2.160 1100 E HA -0.175 4.175 4.350 0.000 0.000 0.195 1100 E C 0.443 177.071 176.600 0.047 0.000 0.991 1100 E CA 1.706 58.157 56.400 0.086 0.000 0.810 1100 E CB -0.292 29.467 29.700 0.099 0.000 0.742 1100 E HN 0.569 nan 8.360 nan 0.000 0.466 1101 D N -0.782 119.645 120.400 0.045 0.000 2.123 1101 D HA -0.112 4.528 4.640 0.000 0.000 0.196 1101 D C 1.807 178.126 176.300 0.032 0.000 0.992 1101 D CA 1.510 55.530 54.000 0.034 0.000 0.833 1101 D CB -0.790 40.032 40.800 0.037 0.000 0.954 1101 D HN 0.389 nan 8.370 nan 0.000 0.455 1102 G N 0.286 109.114 108.800 0.047 0.000 2.527 1102 G HA2 -0.169 3.791 3.960 0.000 0.000 0.219 1102 G HA3 -0.169 3.791 3.960 0.000 0.000 0.219 1102 G C 1.423 176.358 174.900 0.058 0.000 1.117 1102 G CA 0.223 45.361 45.100 0.062 0.000 0.759 1102 G HN 0.296 nan 8.290 nan 0.000 0.556 1103 L N -0.376 120.848 121.223 0.002 0.000 2.607 1103 L HA 0.362 4.702 4.340 0.000 0.000 0.228 1103 L C 0.793 177.565 176.870 -0.165 0.000 1.123 1103 L CA -0.229 54.563 54.840 -0.080 0.000 0.890 1103 L CB -0.042 41.900 42.059 -0.194 0.000 1.103 1103 L HN 0.094 nan 8.230 nan 0.000 0.468 1104 L N 0.478 121.671 121.223 -0.050 0.000 4.040 1104 L HA -0.278 4.062 4.340 0.000 0.000 0.410 1104 L C 1.119 178.016 176.870 0.045 0.000 1.187 1104 L CA 0.318 55.193 54.840 0.058 0.000 0.956 1104 L CB -2.482 39.696 42.059 0.197 0.000 2.022 1104 L HN 0.536 nan 8.230 nan 0.000 0.897 1105 G N -1.178 107.560 108.800 -0.104 0.000 2.162 1105 G HA2 -0.340 3.620 3.960 0.000 0.000 0.260 1105 G HA3 -0.340 3.620 3.960 0.000 0.000 0.260 1105 G C 0.348 175.265 174.900 0.029 0.000 0.976 1105 G CA 0.668 45.775 45.100 0.011 0.000 0.655 1105 G HN 1.002 nan 8.290 nan 0.000 0.533 1106 H N -2.310 116.736 119.070 -0.040 0.000 2.776 1106 H HA -0.223 4.333 4.556 0.000 0.000 0.300 1106 H C 1.635 176.674 175.328 -0.482 0.000 1.161 1106 H CA 1.684 57.517 56.048 -0.357 0.000 1.147 1106 H CB -1.856 27.755 29.762 -0.252 0.000 1.366 1106 H HN 0.980 nan 8.280 nan 0.000 0.397 1107 W N 0.657 121.854 121.300 -0.171 0.000 2.374 1107 W HA -0.243 4.417 4.660 0.000 0.000 0.288 1107 W C 1.129 177.577 176.519 -0.119 0.000 1.218 1107 W CA 1.308 58.598 57.345 -0.092 0.000 1.245 1107 W CB -0.959 28.501 29.460 -0.000 0.000 1.126 1107 W HN 0.557 nan 8.180 nan 0.000 0.545 1108 Y N 1.956 121.683 120.300 -0.956 0.000 2.470 1108 Y HA 0.291 4.841 4.550 0.000 0.000 0.284 1108 Y C 2.169 177.650 175.900 -0.699 0.000 1.188 1108 Y CA 0.312 57.792 58.100 -1.033 0.000 1.269 1108 Y CB -0.970 36.626 38.460 -1.439 0.000 1.094 1108 Y HN 0.008 nan 8.280 nan 0.000 0.518 1109 K N -0.258 119.565 120.400 -0.961 0.000 2.280 1109 K HA -0.148 4.172 4.320 0.000 0.000 0.202 1109 K C 0.307 176.652 176.600 -0.425 0.000 1.047 1109 K CA 1.784 57.446 56.287 -1.043 0.000 0.942 1109 K CB -0.142 31.689 32.500 -1.116 0.000 0.739 1109 K HN 0.193 nan 8.250 nan 0.000 0.457 1110 D N 0.490 120.724 120.400 -0.277 0.000 2.349 1110 D HA 0.100 4.740 4.640 0.000 0.000 0.215 1110 D C 1.579 177.784 176.300 -0.157 0.000 1.016 1110 D CA 0.481 54.392 54.000 -0.148 0.000 0.870 1110 D CB 0.201 40.955 40.800 -0.077 0.000 0.917 1110 D HN 0.331 nan 8.370 nan 0.000 0.524 1111 I N 0.158 120.569 120.570 -0.265 0.000 2.685 1111 I HA -0.060 4.110 4.170 0.000 0.000 0.251 1111 I C 0.825 176.579 176.117 -0.605 0.000 1.102 1111 I CA 0.517 61.548 61.300 -0.449 0.000 1.442 1111 I CB 0.075 37.713 38.000 -0.604 0.000 1.194 1111 I HN -0.108 nan 8.210 nan 0.000 0.448 1112 T N 0.867 115.137 114.554 -0.473 0.000 2.737 1112 T HA 0.321 4.671 4.350 0.000 0.000 0.296 1112 T C -2.485 172.267 174.700 0.087 0.000 0.922 1112 T CA -1.801 60.207 62.100 -0.155 0.000 1.079 1112 T CB 0.480 69.370 68.868 0.037 0.000 0.892 1112 T HN -0.156 nan 8.240 nan 0.000 0.514 1113 P HA 0.176 nan 4.420 nan 0.000 0.269 1113 P C 0.291 177.660 177.300 0.115 0.000 1.215 1113 P CA -0.090 63.059 63.100 0.082 0.000 0.780 1113 P CB 0.234 31.922 31.700 -0.020 0.000 0.898 1114 N N -1.279 117.464 118.700 0.072 0.000 2.754 1114 N HA -0.253 4.487 4.740 0.000 0.000 0.248 1114 N C -0.607 174.972 175.510 0.115 0.000 1.093 1114 N CA 0.614 53.700 53.050 0.061 0.000 0.699 1114 N CB -2.080 36.415 38.487 0.013 0.000 1.016 1114 N HN 0.546 nan 8.380 nan 0.000 0.552 1115 Y N 2.090 122.410 120.300 0.034 0.000 2.569 1115 Y HA 0.103 4.653 4.550 0.000 0.000 0.332 1115 Y C 1.106 177.013 175.900 0.011 0.000 1.120 1115 Y CA 0.256 58.388 58.100 0.053 0.000 1.416 1115 Y CB 0.464 38.892 38.460 -0.053 0.000 1.210 1115 Y HN 0.223 nan 8.280 nan 0.000 0.528 1116 R N 5.662 125.992 120.500 -0.284 0.000 2.692 1116 R HA 0.542 4.882 4.340 0.000 0.000 0.269 1116 R C -3.567 172.594 176.300 -0.231 0.000 1.030 1116 R CA -2.225 53.777 56.100 -0.164 0.000 0.882 1116 R CB 1.367 31.630 30.300 -0.062 0.000 1.250 1116 R HN 0.313 nan 8.270 nan 0.000 0.465 1117 P HA 0.198 nan 4.420 nan 0.000 0.275 1117 P C -0.563 176.713 177.300 -0.040 0.000 1.228 1117 P CA -0.409 62.647 63.100 -0.073 0.000 0.786 1117 P CB 0.588 32.268 31.700 -0.032 0.000 0.927 1118 L N 4.446 125.669 121.223 -0.000 0.000 2.334 1118 L HA 0.403 4.743 4.340 0.000 0.000 0.277 1118 L C -1.917 174.983 176.870 0.049 0.000 1.075 1118 L CA -2.081 52.782 54.840 0.038 0.000 0.804 1118 L CB 0.601 42.727 42.059 0.112 0.000 1.174 1118 L HN 0.224 nan 8.230 nan 0.000 0.438 1119 P HA 0.073 nan 4.420 nan 0.000 0.269 1119 P C 0.236 177.555 177.300 0.032 0.000 1.215 1119 P CA -0.266 62.850 63.100 0.027 0.000 0.780 1119 P CB 0.633 32.343 31.700 0.016 0.000 0.898 1120 S N -0.445 115.266 115.700 0.018 0.000 2.481 1120 S HA -0.122 4.348 4.470 0.000 0.000 0.231 1120 S C 1.704 176.295 174.600 -0.016 0.000 0.996 1120 S CA 0.936 59.138 58.200 0.004 0.000 0.942 1120 S CB -0.950 62.251 63.200 0.002 0.000 0.768 1120 S HN 0.616 nan 8.310 nan 0.000 0.520 1121 S N 2.191 117.887 115.700 -0.007 0.000 2.447 1121 S HA -0.050 4.420 4.470 0.000 0.000 0.233 1121 S C 1.176 175.767 174.600 -0.015 0.000 1.006 1121 S CA 0.574 58.766 58.200 -0.013 0.000 0.957 1121 S CB -0.365 62.832 63.200 -0.005 0.000 0.773 1121 S HN 0.658 nan 8.310 nan 0.000 0.507 1122 E N -0.041 120.161 120.200 0.004 0.000 2.499 1122 E HA 0.262 4.612 4.350 0.000 0.000 0.199 1122 E C -0.622 175.978 176.600 -0.001 0.000 1.016 1122 E CA -0.345 56.073 56.400 0.030 0.000 0.933 1122 E CB 0.417 30.164 29.700 0.078 0.000 1.050 1122 E HN 0.451 nan 8.360 nan 0.000 0.462 1123 C N 1.306 120.529 119.300 -0.129 0.000 2.529 1123 C HA 0.465 4.925 4.460 0.000 0.000 0.329 1123 C C -2.078 172.648 174.990 -0.441 0.000 1.194 1123 C CA -1.858 56.899 59.018 -0.434 0.000 1.779 1123 C CB 1.318 28.953 27.740 -0.176 0.000 2.322 1123 C HN 0.177 nan 8.230 nan 0.000 0.500 1124 P HA 0.147 nan 4.420 nan 0.000 0.271 1124 P C -2.642 174.544 177.300 -0.190 0.000 1.233 1124 P CA -0.447 62.457 63.100 -0.326 0.000 0.795 1124 P CB -0.459 31.063 31.700 -0.298 0.000 0.936 1125 P HA 0.138 nan 4.420 nan 0.000 0.276 1125 P C 0.870 178.134 177.300 -0.059 0.000 1.235 1125 P CA 0.761 63.813 63.100 -0.079 0.000 0.772 1125 P CB 0.182 31.844 31.700 -0.064 0.000 0.871 1126 G N 1.774 110.550 108.800 -0.039 0.000 2.205 1126 G HA2 -0.196 3.764 3.960 0.000 0.000 0.261 1126 G HA3 -0.196 3.764 3.960 0.000 0.000 0.261 1126 G C 0.405 175.304 174.900 -0.003 0.000 0.980 1126 G CA 0.146 45.236 45.100 -0.016 0.000 0.632 1126 G HN 0.882 nan 8.290 nan 0.000 0.533 1127 A N -0.100 122.708 122.820 -0.020 0.000 2.293 1127 A HA 0.818 5.138 4.320 0.000 0.000 0.302 1127 A C 0.273 177.888 177.584 0.051 0.000 1.119 1127 A CA -0.084 51.965 52.037 0.019 0.000 0.823 1127 A CB 0.954 19.950 19.000 -0.007 0.000 1.097 1127 A HN 1.196 nan 8.150 nan 0.000 0.491 1128 I N 0.263 120.904 120.570 0.118 0.000 2.707 1128 I HA 0.785 4.955 4.170 0.000 0.000 0.309 1128 I C 0.224 176.494 176.117 0.254 0.000 1.001 1128 I CA -0.359 61.030 61.300 0.148 0.000 1.129 1128 I CB 2.077 40.152 38.000 0.125 0.000 1.308 1128 I HN 0.745 nan 8.210 nan 0.000 0.466 1129 G N 4.751 113.698 108.800 0.244 0.000 2.698 1129 G HA2 0.571 4.531 3.960 0.000 0.000 0.293 1129 G HA3 0.571 4.531 3.960 0.000 0.000 0.293 1129 G C -1.513 173.449 174.900 0.102 0.000 1.437 1129 G CA -0.399 44.860 45.100 0.265 0.000 0.852 1129 G HN 0.713 nan 8.290 nan 0.000 0.499 1130 V N -2.045 117.865 119.914 -0.008 0.000 3.046 1130 V HA 0.967 5.087 4.120 0.000 0.000 0.316 1130 V C -0.214 175.728 176.094 -0.252 0.000 1.104 1130 V CA -0.657 61.557 62.300 -0.142 0.000 1.006 1130 V CB 1.589 33.270 31.823 -0.237 0.000 1.058 1130 V HN 1.070 nan 8.190 nan 0.000 0.440 1131 T N 1.280 115.650 114.554 -0.307 0.000 2.906 1131 T HA 0.891 5.241 4.350 0.000 0.000 0.295 1131 T C -1.452 173.098 174.700 -0.251 0.000 1.061 1131 T CA -0.222 61.656 62.100 -0.369 0.000 1.000 1131 T CB 1.604 70.331 68.868 -0.235 0.000 1.103 1131 T HN 1.641 nan 8.240 nan 0.000 0.486 1132 Y N -0.326 119.919 120.300 -0.091 0.000 2.774 1132 Y HA 0.616 5.166 4.550 0.000 0.000 0.346 1132 Y C -1.754 174.210 175.900 0.108 0.000 1.222 1132 Y CA -1.442 56.676 58.100 0.029 0.000 1.088 1132 Y CB 0.367 38.930 38.460 0.172 0.000 1.354 1132 Y HN 0.393 nan 8.280 nan 0.000 0.455 1133 D N 1.093 121.737 120.400 0.406 0.000 2.256 1133 D HA 0.497 5.137 4.640 0.000 0.000 0.240 1133 D C -0.646 176.089 176.300 0.725 0.000 1.062 1133 D CA -0.170 54.082 54.000 0.420 0.000 0.832 1133 D CB 2.316 43.255 40.800 0.231 0.000 1.135 1133 D HN 0.700 nan 8.370 nan 0.000 0.484 1134 T N 0.924 115.883 114.554 0.675 0.000 2.773 1134 T HA 0.709 5.059 4.350 0.000 0.000 0.278 1134 T C -0.929 173.973 174.700 0.337 0.000 1.011 1134 T CA -0.554 61.937 62.100 0.651 0.000 1.014 1134 T CB 0.942 70.219 68.868 0.683 0.000 1.293 1134 T HN 0.188 nan 8.240 nan 0.000 0.554 1135 L N 1.949 123.241 121.223 0.116 0.000 2.342 1135 L HA 0.725 5.065 4.340 0.000 0.000 0.271 1135 L C -0.348 176.509 176.870 -0.022 0.000 1.008 1135 L CA -0.836 53.868 54.840 -0.227 0.000 0.818 1135 L CB 2.263 43.954 42.059 -0.614 0.000 1.296 1135 L HN 0.821 nan 8.230 nan 0.000 0.427 1136 S N 1.258 116.820 115.700 -0.231 0.000 2.570 1136 S HA 0.863 5.333 4.470 0.000 0.000 0.286 1136 S C -0.769 173.477 174.600 -0.590 0.000 1.099 1136 S CA -0.723 57.301 58.200 -0.294 0.000 0.913 1136 S CB 2.097 65.202 63.200 -0.158 0.000 1.085 1136 S HN 0.498 nan 8.310 nan 0.000 0.480 1137 V N -0.628 118.852 119.914 -0.724 0.000 3.001 1137 V HA 0.603 4.723 4.120 0.000 0.000 0.314 1137 V C -0.457 175.428 176.094 -0.348 0.000 1.099 1137 V CA -0.874 61.035 62.300 -0.653 0.000 0.989 1137 V CB 1.595 32.767 31.823 -1.085 0.000 1.040 1137 V HN 1.125 nan 8.190 nan 0.000 0.434 1138 H N 2.694 121.613 119.070 -0.252 0.000 3.089 1138 H HA 0.500 5.057 4.556 0.000 0.000 0.262 1138 H C 1.065 176.326 175.328 -0.111 0.000 1.160 1138 H CA 0.507 56.459 56.048 -0.160 0.000 1.482 1138 H CB 1.136 30.840 29.762 -0.098 0.000 1.511 1138 H HN 1.029 nan 8.280 nan 0.000 0.483 1139 A N 8.251 131.011 122.820 -0.099 0.000 1.859 1139 A HA -0.145 4.175 4.320 0.000 0.000 0.218 1139 A C -0.410 177.296 177.584 0.205 0.000 1.209 1139 A CA 1.459 53.424 52.037 -0.119 0.000 0.639 1139 A CB -1.368 17.369 19.000 -0.439 0.000 0.835 1139 A HN 0.619 nan 8.150 nan 0.000 0.450 1140 P HA -0.125 nan 4.420 nan 0.000 0.217 1140 P C 1.010 178.390 177.300 0.135 0.000 1.150 1140 P CA 1.527 64.698 63.100 0.119 0.000 0.832 1140 P CB -0.141 31.580 31.700 0.035 0.000 0.787 1141 K N -1.370 119.092 120.400 0.103 0.000 2.155 1141 K HA -0.145 4.176 4.320 0.000 0.000 0.203 1141 K C 2.340 179.035 176.600 0.158 0.000 1.052 1141 K CA 0.970 57.243 56.287 -0.023 0.000 0.948 1141 K CB -0.621 31.683 32.500 -0.327 0.000 0.728 1141 K HN 0.086 nan 8.250 nan 0.000 0.448 1142 Y N 1.303 121.676 120.300 0.122 0.000 2.181 1142 Y HA -0.326 4.224 4.550 0.000 0.000 0.288 1142 Y C 2.245 178.289 175.900 0.240 0.000 1.146 1142 Y CA 1.207 59.425 58.100 0.197 0.000 1.164 1142 Y CB -0.398 38.177 38.460 0.191 0.000 0.982 1142 Y HN 0.038 nan 8.280 nan 0.000 0.515 1143 C N 0.475 119.954 119.300 0.299 0.000 2.429 1143 C HA -0.229 4.231 4.460 0.000 0.000 0.277 1143 C C 2.598 177.619 174.990 0.052 0.000 1.262 1143 C CA 1.562 60.673 59.018 0.155 0.000 1.733 1143 C CB -1.182 26.675 27.740 0.197 0.000 2.010 1143 C HN 0.631 nan 8.230 nan 0.000 0.483 1144 Q N -0.914 118.920 119.800 0.056 0.000 2.170 1144 Q HA -0.223 4.117 4.340 0.000 0.000 0.203 1144 Q C 1.991 177.986 176.000 -0.009 0.000 0.976 1144 Q CA 1.752 57.554 55.803 -0.002 0.000 0.858 1144 Q CB -0.386 28.350 28.738 -0.004 0.000 0.907 1144 Q HN 0.873 nan 8.270 nan 0.000 0.433 1145 Y N 1.458 121.686 120.300 -0.120 0.000 2.145 1145 Y HA -0.207 4.343 4.550 0.000 0.000 0.286 1145 Y C 1.710 177.482 175.900 -0.213 0.000 1.145 1145 Y CA 1.344 59.321 58.100 -0.205 0.000 1.148 1145 Y CB -0.337 37.925 38.460 -0.331 0.000 0.981 1145 Y HN -0.013 nan 8.280 nan 0.000 0.507 1146 L N 0.070 121.016 121.223 -0.460 0.000 2.042 1146 L HA -0.226 4.114 4.340 0.000 0.000 0.210 1146 L C 2.834 179.580 176.870 -0.207 0.000 1.076 1146 L CA 1.236 55.809 54.840 -0.445 0.000 0.749 1146 L CB -1.105 40.815 42.059 -0.232 0.000 0.893 1146 L HN 0.374 nan 8.230 nan 0.000 0.432 1147 A N 0.166 122.936 122.820 -0.084 0.000 1.902 1147 A HA -0.202 4.118 4.320 0.000 0.000 0.217 1147 A C 2.399 179.979 177.584 -0.006 0.000 1.181 1147 A CA 1.459 53.521 52.037 0.041 0.000 0.623 1147 A CB -0.471 18.431 19.000 -0.163 0.000 0.818 1147 A HN 0.317 nan 8.150 nan 0.000 0.443 1148 R N -0.458 119.983 120.500 -0.100 0.000 2.096 1148 R HA -0.116 4.224 4.340 0.000 0.000 0.235 1148 R C 1.987 178.229 176.300 -0.097 0.000 1.127 1148 R CA 1.348 57.401 56.100 -0.079 0.000 0.968 1148 R CB -0.286 29.974 30.300 -0.066 0.000 0.861 1148 R HN 0.518 nan 8.270 nan 0.000 0.440 1149 E N 0.916 120.985 120.200 -0.219 0.000 2.110 1149 E HA -0.158 4.192 4.350 0.000 0.000 0.193 1149 E C 2.163 178.715 176.600 -0.081 0.000 0.988 1149 E CA 0.903 57.183 56.400 -0.199 0.000 0.804 1149 E CB -0.214 29.272 29.700 -0.356 0.000 0.745 1149 E HN 0.339 nan 8.360 nan 0.000 0.458 1150 L N 0.981 122.186 121.223 -0.031 0.000 2.017 1150 L HA -0.246 4.094 4.340 0.000 0.000 0.208 1150 L C 2.726 179.632 176.870 0.060 0.000 1.073 1150 L CA 1.352 56.207 54.840 0.025 0.000 0.745 1150 L CB -0.420 41.693 42.059 0.090 0.000 0.894 1150 L HN 0.136 nan 8.230 nan 0.000 0.432 1151 Q N -0.003 119.870 119.800 0.121 0.000 2.062 1151 Q HA -0.306 4.035 4.340 0.000 0.000 0.209 1151 Q C 2.250 178.272 176.000 0.036 0.000 0.996 1151 Q CA 2.005 57.866 55.803 0.097 0.000 0.859 1151 Q CB -0.189 28.590 28.738 0.068 0.000 0.920 1151 Q HN 0.479 nan 8.270 nan 0.000 0.415 1152 K N 0.304 120.711 120.400 0.011 0.000 2.147 1152 K HA -0.091 4.229 4.320 0.000 0.000 0.205 1152 K C 1.823 178.422 176.600 -0.003 0.000 1.049 1152 K CA 0.837 57.124 56.287 -0.000 0.000 0.936 1152 K CB -0.045 32.448 32.500 -0.011 0.000 0.722 1152 K HN 0.216 nan 8.250 nan 0.000 0.446 1153 L N -0.050 121.169 121.223 -0.007 0.000 2.599 1153 L HA 0.085 4.425 4.340 0.000 0.000 0.230 1153 L C 1.022 177.886 176.870 -0.011 0.000 1.141 1153 L CA 0.314 55.147 54.840 -0.011 0.000 0.877 1153 L CB -0.107 41.942 42.059 -0.017 0.000 1.009 1153 L HN 0.457 nan 8.230 nan 0.000 0.447 1154 G N -0.097 108.701 108.800 -0.003 0.000 2.157 1154 G HA2 -0.260 3.700 3.960 0.000 0.000 0.248 1154 G HA3 -0.260 3.700 3.960 0.000 0.000 0.248 1154 G C 0.426 175.316 174.900 -0.017 0.000 0.979 1154 G CA -0.020 45.077 45.100 -0.005 0.000 0.650 1154 G HN 0.496 nan 8.290 nan 0.000 0.529 1155 A N 0.136 122.936 122.820 -0.032 0.000 2.425 1155 A HA 0.743 5.063 4.320 0.000 0.000 0.242 1155 A C 0.903 178.441 177.584 -0.076 0.000 1.077 1155 A CA 1.359 53.342 52.037 -0.091 0.000 0.781 1155 A CB 0.345 19.239 19.000 -0.177 0.000 1.020 1155 A HN 1.851 nan 8.150 nan 0.000 0.494 1156 T N -1.467 113.027 114.554 -0.101 0.000 2.930 1156 T HA 0.771 5.122 4.350 0.000 0.000 0.290 1156 T C -0.724 173.995 174.700 0.030 0.000 1.052 1156 T CA -0.534 61.575 62.100 0.014 0.000 1.017 1156 T CB 1.026 69.853 68.868 -0.069 0.000 1.137 1156 T HN 0.321 nan 8.240 nan 0.000 0.511 1157 F N 0.249 120.290 119.950 0.152 0.000 2.532 1157 F HA 0.707 5.234 4.527 0.000 0.000 0.321 1157 F C 0.294 176.212 175.800 0.196 0.000 1.089 1157 F CA -0.844 57.239 58.000 0.138 0.000 0.926 1157 F CB 2.223 41.246 39.000 0.039 0.000 1.168 1157 F HN 0.856 nan 8.300 nan 0.000 0.459 1158 E N 2.485 122.871 120.200 0.310 0.000 2.290 1158 E HA 0.341 4.691 4.350 0.000 0.000 0.274 1158 E C -1.208 175.438 176.600 0.078 0.000 0.889 1158 E CA -0.899 55.636 56.400 0.225 0.000 0.760 1158 E CB 1.579 31.479 29.700 0.333 0.000 1.206 1158 E HN 0.622 nan 8.360 nan 0.000 0.419 1159 R N 3.427 123.963 120.500 0.059 0.000 2.316 1159 R HA 0.301 4.641 4.340 0.000 0.000 0.314 1159 R C -0.349 175.949 176.300 -0.003 0.000 1.069 1159 R CA 0.163 56.270 56.100 0.011 0.000 0.959 1159 R CB 0.645 30.948 30.300 0.005 0.000 0.987 1159 R HN 0.525 nan 8.270 nan 0.000 0.446 1160 R N 1.773 122.256 120.500 -0.028 0.000 2.629 1160 R HA 0.226 4.566 4.340 0.000 0.000 0.266 1160 R C -1.657 174.619 176.300 -0.039 0.000 1.051 1160 R CA -0.502 55.581 56.100 -0.029 0.000 0.895 1160 R CB 2.150 32.429 30.300 -0.036 0.000 1.246 1160 R HN 0.486 nan 8.270 nan 0.000 0.459 1161 T N 2.954 117.492 114.554 -0.028 0.000 2.809 1161 T HA 0.315 4.665 4.350 0.000 0.000 0.296 1161 T C -0.630 174.057 174.700 -0.021 0.000 1.015 1161 T CA -0.454 61.630 62.100 -0.026 0.000 0.954 1161 T CB 1.313 70.170 68.868 -0.017 0.000 0.950 1161 T HN 0.216 nan 8.240 nan 0.000 0.450 1162 V N 3.938 123.835 119.914 -0.027 0.000 2.567 1162 V HA 0.370 4.490 4.120 0.000 0.000 0.289 1162 V C 1.481 177.568 176.094 -0.012 0.000 1.049 1162 V CA -0.165 62.123 62.300 -0.021 0.000 0.969 1162 V CB 1.595 33.398 31.823 -0.033 0.000 0.995 1162 V HN 1.107 nan 8.190 nan 0.000 0.471 1163 T N -0.785 113.767 114.554 -0.003 0.000 2.975 1163 T HA 0.262 4.612 4.350 0.000 0.000 0.257 1163 T C 0.470 175.174 174.700 0.007 0.000 1.003 1163 T CA 0.146 62.245 62.100 -0.001 0.000 0.932 1163 T CB 0.437 69.304 68.868 -0.001 0.000 1.087 1163 T HN 0.520 nan 8.240 nan 0.000 0.512 1164 S N -0.446 115.263 115.700 0.015 0.000 2.533 1164 S HA 0.544 5.014 4.470 0.000 0.000 0.271 1164 S C 0.409 175.042 174.600 0.054 0.000 1.143 1164 S CA -0.771 57.447 58.200 0.029 0.000 0.891 1164 S CB 1.245 64.460 63.200 0.025 0.000 1.105 1164 S HN 0.251 nan 8.310 nan 0.000 0.468 1165 L N 2.831 124.105 121.223 0.086 0.000 2.187 1165 L HA -0.095 4.245 4.340 0.000 0.000 0.213 1165 L C 2.682 179.698 176.870 0.244 0.000 1.100 1165 L CA 1.579 56.521 54.840 0.170 0.000 0.765 1165 L CB -0.283 41.916 42.059 0.233 0.000 0.904 1165 L HN 0.811 nan 8.230 nan 0.000 0.437 1166 E N 0.180 120.472 120.200 0.154 0.000 2.268 1166 E HA -0.260 4.090 4.350 0.000 0.000 0.195 1166 E C 1.708 178.393 176.600 0.142 0.000 0.995 1166 E CA 1.013 57.512 56.400 0.165 0.000 0.836 1166 E CB -0.313 29.429 29.700 0.070 0.000 0.763 1166 E HN 0.589 nan 8.360 nan 0.000 0.491 1167 Q N 0.487 120.338 119.800 0.085 0.000 2.291 1167 Q HA 0.018 4.358 4.340 0.000 0.000 0.206 1167 Q C 2.028 178.037 176.000 0.017 0.000 0.976 1167 Q CA 1.690 57.519 55.803 0.043 0.000 0.875 1167 Q CB -0.068 28.682 28.738 0.020 0.000 0.927 1167 Q HN 0.477 nan 8.270 nan 0.000 0.450 1168 A N -0.111 122.710 122.820 0.001 0.000 1.997 1168 A HA 0.060 4.380 4.320 0.000 0.000 0.212 1168 A C 0.677 178.139 177.584 -0.202 0.000 1.178 1168 A CA -0.005 51.951 52.037 -0.136 0.000 0.698 1168 A CB -0.033 18.827 19.000 -0.233 0.000 0.842 1168 A HN 0.268 nan 8.150 nan 0.000 0.458 1169 F N 1.742 121.683 119.950 -0.016 0.000 2.668 1169 F HA 0.129 4.656 4.527 0.000 0.000 0.365 1169 F C 0.150 175.951 175.800 0.003 0.000 1.165 1169 F CA -0.359 57.637 58.000 -0.007 0.000 1.344 1169 F CB -0.177 38.819 39.000 -0.007 0.000 1.658 1169 F HN 0.036 nan 8.300 nan 0.000 0.620 1170 D N 1.269 121.718 120.400 0.081 0.000 2.470 1170 D HA 0.195 4.835 4.640 0.000 0.000 0.226 1170 D C 1.196 177.539 176.300 0.073 0.000 1.196 1170 D CA 0.437 54.475 54.000 0.064 0.000 0.979 1170 D CB 0.235 41.058 40.800 0.038 0.000 1.059 1170 D HN 0.619 nan 8.370 nan 0.000 0.515 1171 G N 2.449 111.297 108.800 0.080 0.000 2.203 1171 G HA2 -0.089 3.871 3.960 0.000 0.000 0.263 1171 G HA3 -0.089 3.871 3.960 0.000 0.000 0.263 1171 G C 0.337 175.292 174.900 0.091 0.000 1.012 1171 G CA 0.491 45.634 45.100 0.071 0.000 0.749 1171 G HN 0.824 nan 8.290 nan 0.000 0.512 1172 A N -1.332 121.562 122.820 0.124 0.000 2.556 1172 A HA 0.744 5.064 4.320 0.000 0.000 0.294 1172 A C 0.158 177.897 177.584 0.259 0.000 1.091 1172 A CA 0.059 52.184 52.037 0.147 0.000 0.704 1172 A CB 1.040 20.091 19.000 0.087 0.000 1.300 1172 A HN -0.013 nan 8.150 nan 0.000 0.406 1173 D N 0.080 120.636 120.400 0.260 0.000 2.398 1173 D HA 0.202 4.842 4.640 0.000 0.000 0.210 1173 D C -0.468 176.112 176.300 0.467 0.000 1.094 1173 D CA 0.640 54.856 54.000 0.361 0.000 0.839 1173 D CB 0.758 41.764 40.800 0.343 0.000 0.963 1173 D HN 0.333 nan 8.370 nan 0.000 0.506 1174 L N 0.915 122.288 121.223 0.250 0.000 2.409 1174 L HA 0.412 4.753 4.340 0.000 0.000 0.272 1174 L C -1.434 175.397 176.870 -0.065 0.000 0.980 1174 L CA -0.589 54.342 54.840 0.151 0.000 0.826 1174 L CB 2.327 44.371 42.059 -0.024 0.000 1.268 1174 L HN -0.368 nan 8.230 nan 0.000 0.407 1175 V N 5.084 124.867 119.914 -0.219 0.000 2.555 1175 V HA 0.443 4.563 4.120 0.000 0.000 0.302 1175 V C -0.398 175.557 176.094 -0.232 0.000 1.038 1175 V CA -0.690 61.347 62.300 -0.438 0.000 0.887 1175 V CB 2.177 33.437 31.823 -0.939 0.000 0.991 1175 V HN 0.451 nan 8.190 nan 0.000 0.434 1176 V N 4.745 124.535 119.914 -0.206 0.000 2.385 1176 V HA 0.273 4.393 4.120 0.000 0.000 0.269 1176 V C 0.496 176.529 176.094 -0.102 0.000 1.043 1176 V CA -0.406 61.810 62.300 -0.140 0.000 0.906 1176 V CB 1.173 32.912 31.823 -0.140 0.000 0.995 1176 V HN 0.926 nan 8.190 nan 0.000 0.467 1177 N N 4.559 123.242 118.700 -0.030 0.000 2.558 1177 N HA 0.411 5.151 4.740 0.000 0.000 0.233 1177 N C -0.099 175.489 175.510 0.131 0.000 1.038 1177 N CA -0.328 52.744 53.050 0.037 0.000 0.934 1177 N CB 1.041 39.600 38.487 0.119 0.000 1.175 1177 N HN 0.747 nan 8.380 nan 0.000 0.512 1178 A N 3.088 125.948 122.820 0.067 0.000 3.219 1178 A HA 0.182 4.502 4.320 0.000 0.000 0.314 1178 A C 0.884 178.528 177.584 0.100 0.000 1.081 1178 A CA -0.556 51.557 52.037 0.126 0.000 0.995 1178 A CB -0.412 18.627 19.000 0.064 0.000 1.067 1178 A HN 0.684 nan 8.150 nan 0.000 0.533 1179 T N -3.330 111.255 114.554 0.051 0.000 3.105 1179 T HA 0.447 4.797 4.350 0.000 0.000 0.253 1179 T C 1.383 176.114 174.700 0.052 0.000 1.047 1179 T CA 0.872 62.978 62.100 0.009 0.000 0.944 1179 T CB -0.090 68.733 68.868 -0.076 0.000 1.016 1179 T HN 1.755 nan 8.240 nan 0.000 0.544 1180 G N 2.633 111.517 108.800 0.139 0.000 2.622 1180 G HA2 -0.343 3.617 3.960 0.000 0.000 0.307 1180 G HA3 -0.343 3.617 3.960 0.000 0.000 0.307 1180 G C 0.702 175.666 174.900 0.107 0.000 1.226 1180 G CA 0.413 45.620 45.100 0.178 0.000 0.997 1180 G HN 0.487 nan 8.290 nan 0.000 0.551 1181 L N 2.027 123.312 121.223 0.105 0.000 2.275 1181 L HA 0.130 4.470 4.340 0.000 0.000 0.215 1181 L C 3.142 180.070 176.870 0.098 0.000 1.119 1181 L CA 1.249 56.150 54.840 0.102 0.000 0.790 1181 L CB -0.694 41.432 42.059 0.111 0.000 0.919 1181 L HN 0.695 nan 8.230 nan 0.000 0.443 1182 G N -0.329 108.506 108.800 0.060 0.000 2.509 1182 G HA2 -0.175 3.785 3.960 0.000 0.000 0.218 1182 G HA3 -0.175 3.785 3.960 0.000 0.000 0.218 1182 G C 1.725 176.590 174.900 -0.057 0.000 1.124 1182 G CA 0.666 45.782 45.100 0.026 0.000 0.776 1182 G HN 0.451 nan 8.290 nan 0.000 0.547 1183 A N 0.735 123.450 122.820 -0.175 0.000 2.070 1183 A HA -0.006 4.314 4.320 0.000 0.000 0.220 1183 A C 2.131 179.619 177.584 -0.160 0.000 1.159 1183 A CA 1.950 53.786 52.037 -0.335 0.000 0.656 1183 A CB -0.297 18.124 19.000 -0.965 0.000 0.800 1183 A HN 0.460 nan 8.150 nan 0.000 0.453 1184 K N -0.672 119.697 120.400 -0.051 0.000 2.228 1184 K HA 0.043 4.363 4.320 0.000 0.000 0.202 1184 K C 0.849 177.453 176.600 0.008 0.000 1.051 1184 K CA 1.461 57.754 56.287 0.010 0.000 0.960 1184 K CB -0.004 32.543 32.500 0.078 0.000 0.743 1184 K HN 0.310 nan 8.250 nan 0.000 0.458 1185 S N 0.186 115.888 115.700 0.003 0.000 2.650 1185 S HA 0.324 4.794 4.470 0.000 0.000 0.240 1185 S C -0.179 174.417 174.600 -0.006 0.000 1.007 1185 S CA -0.551 57.649 58.200 0.001 0.000 0.984 1185 S CB 0.373 63.575 63.200 0.002 0.000 0.910 1185 S HN 0.147 nan 8.310 nan 0.000 0.509 1186 I N 2.584 123.147 120.570 -0.013 0.000 2.315 1186 I HA 0.379 4.549 4.170 0.000 0.000 0.291 1186 I C 0.494 176.615 176.117 0.006 0.000 1.006 1186 I CA -0.692 60.604 61.300 -0.007 0.000 1.265 1186 I CB 1.227 39.217 38.000 -0.017 0.000 1.387 1186 I HN 0.124 nan 8.210 nan 0.000 0.475 1187 A N 4.769 127.597 122.820 0.012 0.000 2.524 1187 A HA 0.459 4.779 4.320 0.000 0.000 0.250 1187 A C 1.213 178.818 177.584 0.035 0.000 1.078 1187 A CA 0.776 52.824 52.037 0.018 0.000 0.761 1187 A CB -0.247 18.762 19.000 0.015 0.000 1.012 1187 A HN 1.203 nan 8.150 nan 0.000 0.500 1188 G N 1.237 110.060 108.800 0.038 0.000 2.218 1188 G HA2 -0.228 3.732 3.960 0.000 0.000 0.216 1188 G HA3 -0.228 3.732 3.960 0.000 0.000 0.216 1188 G C 0.590 175.540 174.900 0.082 0.000 0.994 1188 G CA 0.505 45.641 45.100 0.059 0.000 0.637 1188 G HN 0.744 nan 8.290 nan 0.000 0.505 1189 I N -0.684 119.921 120.570 0.058 0.000 3.739 1189 I HA 0.226 4.396 4.170 0.000 0.000 0.272 1189 I C 0.945 177.070 176.117 0.014 0.000 1.167 1189 I CA 0.409 61.739 61.300 0.051 0.000 1.386 1189 I CB 0.149 38.160 38.000 0.017 0.000 1.490 1189 I HN -0.008 nan 8.210 nan 0.000 0.452 1190 D N 2.083 122.484 120.400 0.002 0.000 2.882 1190 D HA -0.210 4.430 4.640 0.000 0.000 0.229 1190 D C -0.086 176.221 176.300 0.012 0.000 1.167 1190 D CA 0.998 55.003 54.000 0.007 0.000 0.759 1190 D CB -1.108 39.700 40.800 0.014 0.000 1.088 1190 D HN 0.340 nan 8.370 nan 0.000 0.425 1191 D N 0.956 121.361 120.400 0.007 0.000 2.344 1191 D HA 0.033 4.673 4.640 0.000 0.000 0.253 1191 D C 1.480 177.812 176.300 0.054 0.000 1.255 1191 D CA 0.027 54.051 54.000 0.040 0.000 0.894 1191 D CB 0.756 41.612 40.800 0.093 0.000 1.067 1191 D HN -0.032 nan 8.370 nan 0.000 0.492 1192 Q N 2.796 122.623 119.800 0.046 0.000 2.436 1192 Q HA -0.032 4.308 4.340 0.000 0.000 0.209 1192 Q C 1.515 177.550 176.000 0.059 0.000 0.965 1192 Q CA 0.594 56.427 55.803 0.050 0.000 0.910 1192 Q CB -0.056 28.703 28.738 0.036 0.000 0.980 1192 Q HN 0.620 nan 8.270 nan 0.000 0.491 1193 A N 0.797 123.651 122.820 0.056 0.000 2.067 1193 A HA 0.255 4.575 4.320 0.000 0.000 0.217 1193 A C 1.193 178.814 177.584 0.061 0.000 1.156 1193 A CA 0.577 52.641 52.037 0.046 0.000 0.683 1193 A CB -0.221 18.795 19.000 0.026 0.000 0.808 1193 A HN 0.249 nan 8.150 nan 0.000 0.455 1194 A N 1.153 124.034 122.820 0.101 0.000 2.548 1194 A HA 0.416 4.736 4.320 0.000 0.000 0.247 1194 A C 0.211 177.839 177.584 0.073 0.000 1.067 1194 A CA 0.491 52.594 52.037 0.110 0.000 0.757 1194 A CB -0.327 18.755 19.000 0.137 0.000 0.996 1194 A HN 0.680 nan 8.150 nan 0.000 0.504 1195 E N 2.859 123.063 120.200 0.007 0.000 2.356 1195 E HA 0.686 5.037 4.350 0.000 0.000 0.275 1195 E C -3.186 173.288 176.600 -0.210 0.000 0.904 1195 E CA -2.308 54.054 56.400 -0.064 0.000 0.757 1195 E CB 2.535 32.209 29.700 -0.045 0.000 1.232 1195 E HN 0.376 nan 8.360 nan 0.000 0.442 1196 P HA 0.362 nan 4.420 nan 0.000 0.282 1196 P C -0.515 176.545 177.300 -0.400 0.000 1.259 1196 P CA -0.580 62.205 63.100 -0.525 0.000 0.826 1196 P CB 1.160 32.253 31.700 -1.011 0.000 1.064 1197 I N 1.372 121.727 120.570 -0.358 0.000 2.476 1197 I HA 0.347 4.517 4.170 0.000 0.000 0.281 1197 I C 0.814 176.734 176.117 -0.328 0.000 1.040 1197 I CA -0.887 60.165 61.300 -0.414 0.000 1.094 1197 I CB 1.665 39.281 38.000 -0.640 0.000 1.219 1197 I HN 0.254 nan 8.210 nan 0.000 0.450 1198 R N 4.118 124.462 120.500 -0.261 0.000 2.522 1198 R HA 0.359 4.699 4.340 0.000 0.000 0.284 1198 R C 0.069 176.305 176.300 -0.107 0.000 1.032 1198 R CA 0.108 56.105 56.100 -0.171 0.000 1.049 1198 R CB 0.695 30.919 30.300 -0.127 0.000 0.956 1198 R HN 0.822 nan 8.270 nan 0.000 0.422 1199 G N 3.868 112.625 108.800 -0.072 0.000 2.675 1199 G HA2 0.142 4.102 3.960 0.000 0.000 0.297 1199 G HA3 0.142 4.102 3.960 0.000 0.000 0.297 1199 G C -1.236 173.652 174.900 -0.020 0.000 1.399 1199 G CA -0.487 44.619 45.100 0.010 0.000 0.981 1199 G HN 0.622 nan 8.290 nan 0.000 0.519 1200 Q N 1.236 121.027 119.800 -0.014 0.000 2.235 1200 Q HA 0.652 4.992 4.340 0.000 0.000 0.250 1200 Q C 0.108 176.099 176.000 -0.014 0.000 0.909 1200 Q CA -0.395 55.389 55.803 -0.033 0.000 0.910 1200 Q CB 1.210 29.930 28.738 -0.030 0.000 1.223 1200 Q HN 0.625 nan 8.270 nan 0.000 0.432 1201 T N -1.195 113.356 114.554 -0.006 0.000 2.812 1201 T HA 0.670 5.020 4.350 0.000 0.000 0.294 1201 T C -0.962 173.747 174.700 0.013 0.000 1.159 1201 T CA -0.775 61.317 62.100 -0.014 0.000 1.008 1201 T CB 1.314 70.200 68.868 0.031 0.000 1.289 1201 T HN 0.304 nan 8.240 nan 0.000 0.514 1202 V N 1.676 121.575 119.914 -0.026 0.000 2.444 1202 V HA 0.556 4.676 4.120 0.000 0.000 0.294 1202 V C -0.614 175.432 176.094 -0.080 0.000 1.022 1202 V CA -0.869 61.389 62.300 -0.070 0.000 0.850 1202 V CB 1.230 33.020 31.823 -0.054 0.000 0.992 1202 V HN 0.928 nan 8.190 nan 0.000 0.426 1203 L N 6.493 127.658 121.223 -0.097 0.000 2.290 1203 L HA 0.635 4.975 4.340 0.000 0.000 0.284 1203 L C -0.370 176.451 176.870 -0.082 0.000 1.078 1203 L CA 0.476 55.279 54.840 -0.061 0.000 0.815 1203 L CB 1.314 43.355 42.059 -0.029 0.000 1.162 1203 L HN 0.477 nan 8.230 nan 0.000 0.435 1204 V N 4.681 124.561 119.914 -0.055 0.000 2.604 1204 V HA 0.427 4.547 4.120 0.000 0.000 0.305 1204 V C -0.351 175.725 176.094 -0.030 0.000 1.043 1204 V CA -0.973 61.299 62.300 -0.046 0.000 0.888 1204 V CB 1.830 33.631 31.823 -0.036 0.000 0.995 1204 V HN 0.706 nan 8.190 nan 0.000 0.429 1205 K N 3.404 123.789 120.400 -0.025 0.000 2.316 1205 K HA 0.610 4.930 4.320 0.000 0.000 0.289 1205 K C -0.461 176.132 176.600 -0.011 0.000 1.070 1205 K CA 0.468 56.746 56.287 -0.015 0.000 0.928 1205 K CB 0.800 33.294 32.500 -0.010 0.000 1.039 1205 K HN 0.803 nan 8.250 nan 0.000 0.480 1206 S N 4.962 120.657 115.700 -0.009 0.000 2.560 1206 S HA 0.405 4.875 4.470 0.000 0.000 0.283 1206 S C -2.581 172.017 174.600 -0.004 0.000 1.141 1206 S CA -0.958 57.239 58.200 -0.005 0.000 0.902 1206 S CB 1.320 64.517 63.200 -0.005 0.000 1.104 1206 S HN 0.557 nan 8.310 nan 0.000 0.454 1207 P HA 0.184 nan 4.420 nan 0.000 0.253 1207 P C 0.846 178.146 177.300 0.000 0.000 1.260 1207 P CA -0.098 63.001 63.100 -0.002 0.000 0.800 1207 P CB -0.792 30.907 31.700 -0.001 0.000 1.162 1208 C N 2.118 121.419 119.300 0.002 0.000 2.437 1208 C HA 0.017 4.477 4.460 0.000 0.000 0.399 1208 C C 1.602 176.596 174.990 0.005 0.000 1.478 1208 C CA 0.312 59.333 59.018 0.005 0.000 1.538 1208 C CB -0.888 26.857 27.740 0.008 0.000 2.506 1208 C HN 0.194 nan 8.230 nan 0.000 0.603 1209 K N 4.299 124.704 120.400 0.007 0.000 2.387 1209 K HA 0.156 4.476 4.320 0.000 0.000 0.203 1209 K C 0.647 177.255 176.600 0.013 0.000 1.030 1209 K CA 0.000 56.293 56.287 0.009 0.000 1.099 1209 K CB 0.205 32.712 32.500 0.011 0.000 0.863 1209 K HN 0.698 nan 8.250 nan 0.000 0.529 1210 R N 0.656 121.163 120.500 0.011 0.000 2.474 1210 R HA 0.227 4.567 4.340 0.000 0.000 0.295 1210 R C -1.045 175.259 176.300 0.007 0.000 0.980 1210 R CA -0.277 55.827 56.100 0.006 0.000 0.934 1210 R CB 1.430 31.731 30.300 0.003 0.000 1.101 1210 R HN 0.024 nan 8.270 nan 0.000 0.469 1211 C N 3.454 122.751 119.300 -0.004 0.000 2.285 1211 C HA 0.599 5.059 4.460 0.000 0.000 0.335 1211 C C -0.497 174.463 174.990 -0.049 0.000 1.267 1211 C CA 0.098 59.114 59.018 -0.004 0.000 1.762 1211 C CB 0.223 27.969 27.740 0.010 0.000 2.365 1211 C HN 0.785 nan 8.230 nan 0.000 0.527 1212 T N 7.576 122.123 114.554 -0.011 0.000 2.861 1212 T HA 0.618 4.968 4.350 0.000 0.000 0.287 1212 T C -0.704 174.008 174.700 0.020 0.000 1.003 1212 T CA -0.288 61.789 62.100 -0.039 0.000 0.977 1212 T CB 1.444 70.345 68.868 0.056 0.000 0.996 1212 T HN 0.736 nan 8.240 nan 0.000 0.448 1213 M N 2.615 122.185 119.600 -0.051 0.000 2.324 1213 M HA 0.446 4.926 4.480 0.000 0.000 0.288 1213 M C -1.693 174.660 176.300 0.089 0.000 1.097 1213 M CA -0.698 54.635 55.300 0.055 0.000 0.928 1213 M CB 2.459 35.089 32.600 0.049 0.000 1.648 1213 M HN 0.485 nan 8.290 nan 0.000 0.460 1214 D N 0.824 121.336 120.400 0.187 0.000 2.476 1214 D HA 0.358 4.998 4.640 0.000 0.000 0.251 1214 D C -0.168 176.252 176.300 0.199 0.000 1.291 1214 D CA -0.275 53.899 54.000 0.290 0.000 0.939 1214 D CB 1.357 42.387 40.800 0.383 0.000 1.221 1214 D HN 0.549 nan 8.370 nan 0.000 0.567 1215 S N 1.079 116.895 115.700 0.193 0.000 2.568 1215 S HA 0.040 4.510 4.470 0.000 0.000 0.232 1215 S C 1.405 176.088 174.600 0.138 0.000 0.975 1215 S CA 0.171 58.455 58.200 0.139 0.000 0.949 1215 S CB -0.110 63.155 63.200 0.109 0.000 0.829 1215 S HN 0.280 nan 8.310 nan 0.000 0.479 1216 S N 0.550 116.353 115.700 0.172 0.000 2.522 1216 S HA 0.036 4.506 4.470 0.000 0.000 0.227 1216 S C 0.305 174.966 174.600 0.101 0.000 0.986 1216 S CA 0.287 58.564 58.200 0.129 0.000 0.929 1216 S CB -0.333 62.941 63.200 0.123 0.000 0.769 1216 S HN 0.461 nan 8.310 nan 0.000 0.529 1217 D N 2.237 122.716 120.400 0.133 0.000 2.464 1217 D HA 0.354 4.994 4.640 0.000 0.000 0.243 1217 D C -1.636 174.727 176.300 0.105 0.000 1.104 1217 D CA -2.523 51.542 54.000 0.108 0.000 0.883 1217 D CB 1.762 42.634 40.800 0.120 0.000 1.050 1217 D HN -0.029 nan 8.370 nan 0.000 0.524 1218 P HA -0.189 nan 4.420 nan 0.000 0.216 1218 P C 0.815 178.152 177.300 0.062 0.000 1.154 1218 P CA 0.966 64.100 63.100 0.056 0.000 0.865 1218 P CB 0.177 31.902 31.700 0.042 0.000 0.789 1219 A N -1.318 121.538 122.820 0.060 0.000 2.291 1219 A HA 0.227 4.547 4.320 0.000 0.000 0.220 1219 A C 0.933 178.565 177.584 0.080 0.000 1.262 1219 A CA 0.496 52.568 52.037 0.058 0.000 0.867 1219 A CB -0.658 18.366 19.000 0.039 0.000 0.888 1219 A HN 0.218 nan 8.150 nan 0.000 0.487 1220 S N 0.494 116.265 115.700 0.118 0.000 2.666 1220 S HA 0.295 4.765 4.470 0.000 0.000 0.165 1220 S C -3.342 171.367 174.600 0.181 0.000 0.865 1220 S CA -0.940 57.363 58.200 0.172 0.000 1.038 1220 S CB 0.639 63.988 63.200 0.249 0.000 1.507 1220 S HN 0.121 nan 8.310 nan 0.000 0.422 1221 P HA 0.497 nan 4.420 nan 0.000 0.271 1221 P C -0.741 176.505 177.300 -0.091 0.000 1.216 1221 P CA -0.150 62.978 63.100 0.047 0.000 0.771 1221 P CB 1.133 32.879 31.700 0.077 0.000 0.864 1222 A N 3.734 126.432 122.820 -0.203 0.000 2.449 1222 A HA 0.817 5.137 4.320 0.000 0.000 0.302 1222 A C -1.545 176.001 177.584 -0.064 0.000 1.048 1222 A CA -0.592 51.206 52.037 -0.399 0.000 0.708 1222 A CB 1.287 19.580 19.000 -1.179 0.000 1.274 1222 A HN 0.618 nan 8.150 nan 0.000 0.410 1223 Y N -1.149 119.093 120.300 -0.097 0.000 2.558 1223 Y HA 0.779 5.329 4.550 0.000 0.000 0.333 1223 Y C -1.400 174.489 175.900 -0.018 0.000 1.125 1223 Y CA -1.409 56.672 58.100 -0.031 0.000 1.039 1223 Y CB 1.025 39.489 38.460 0.007 0.000 1.331 1223 Y HN 0.440 nan 8.280 nan 0.000 0.456 1224 I N 4.265 124.942 120.570 0.178 0.000 2.410 1224 I HA 0.459 4.629 4.170 0.000 0.000 0.286 1224 I C -1.031 175.163 176.117 0.128 0.000 1.009 1224 I CA -0.533 60.830 61.300 0.106 0.000 1.111 1224 I CB 1.602 39.634 38.000 0.053 0.000 1.262 1224 I HN 0.575 nan 8.210 nan 0.000 0.443 1225 I N 8.344 128.994 120.570 0.133 0.000 2.448 1225 I HA 0.352 4.522 4.170 0.000 0.000 0.281 1225 I C -2.424 173.706 176.117 0.023 0.000 1.027 1225 I CA -1.946 59.404 61.300 0.083 0.000 1.111 1225 I CB 1.609 39.667 38.000 0.097 0.000 1.236 1225 I HN 0.209 nan 8.210 nan 0.000 0.452 1226 P HA 0.209 nan 4.420 nan 0.000 0.271 1226 P C -1.014 176.255 177.300 -0.052 0.000 1.218 1226 P CA -0.249 62.840 63.100 -0.018 0.000 0.780 1226 P CB 0.553 32.249 31.700 -0.006 0.000 0.901 1227 R N 1.345 121.804 120.500 -0.069 0.000 2.739 1227 R HA 0.626 4.966 4.340 0.000 0.000 0.271 1227 R C -3.165 173.109 176.300 -0.042 0.000 1.010 1227 R CA -2.496 53.547 56.100 -0.096 0.000 0.897 1227 R CB 0.359 30.538 30.300 -0.201 0.000 1.236 1227 R HN 0.107 nan 8.270 nan 0.000 0.466 1228 P HA 0.056 nan 4.420 nan 0.000 0.264 1228 P C 0.341 177.673 177.300 0.054 0.000 1.183 1228 P CA 1.571 64.678 63.100 0.011 0.000 0.763 1228 P CB 0.576 32.276 31.700 -0.000 0.000 0.807 1229 G N 2.077 110.888 108.800 0.017 0.000 2.175 1229 G HA2 0.082 4.042 3.960 0.000 0.000 0.182 1229 G HA3 0.082 4.042 3.960 0.000 0.000 0.182 1229 G C 0.628 175.533 174.900 0.008 0.000 1.003 1229 G CA 0.209 45.321 45.100 0.020 0.000 0.666 1229 G HN 0.983 nan 8.290 nan 0.000 0.506 1230 G N -0.682 108.117 108.800 -0.001 0.000 2.198 1230 G HA2 -0.124 3.836 3.960 0.000 0.000 0.257 1230 G HA3 -0.124 3.836 3.960 0.000 0.000 0.257 1230 G C -0.147 174.749 174.900 -0.007 0.000 1.042 1230 G CA 1.002 46.099 45.100 -0.005 0.000 0.791 1230 G HN 1.003 nan 8.290 nan 0.000 0.502 1231 E N -1.101 119.091 120.200 -0.014 0.000 2.266 1231 E HA 0.644 4.994 4.350 0.000 0.000 0.268 1231 E C 0.027 176.606 176.600 -0.035 0.000 0.879 1231 E CA -0.751 55.633 56.400 -0.025 0.000 0.762 1231 E CB 2.909 32.589 29.700 -0.033 0.000 1.199 1231 E HN 0.748 nan 8.360 nan 0.000 0.422 1232 V N -0.252 119.645 119.914 -0.029 0.000 2.823 1232 V HA 0.636 4.757 4.120 0.000 0.000 0.312 1232 V C -0.588 175.494 176.094 -0.020 0.000 1.072 1232 V CA -0.877 61.410 62.300 -0.021 0.000 0.937 1232 V CB 1.527 33.346 31.823 -0.006 0.000 1.013 1232 V HN 0.601 nan 8.190 nan 0.000 0.430 1233 I N 3.008 123.579 120.570 0.002 0.000 2.339 1233 I HA 0.468 4.638 4.170 0.000 0.000 0.290 1233 I C -0.433 175.695 176.117 0.018 0.000 0.994 1233 I CA -0.161 61.151 61.300 0.021 0.000 1.191 1233 I CB 1.364 39.403 38.000 0.065 0.000 1.343 1233 I HN 0.690 nan 8.210 nan 0.000 0.458 1234 C N 5.426 124.687 119.300 -0.064 0.000 2.273 1234 C HA 0.810 5.270 4.460 0.000 0.000 0.328 1234 C C 0.849 175.629 174.990 -0.351 0.000 1.275 1234 C CA -0.472 58.442 59.018 -0.173 0.000 1.704 1234 C CB -0.225 27.448 27.740 -0.112 0.000 2.326 1234 C HN 0.949 nan 8.230 nan 0.000 0.517 1235 G N 0.956 109.244 108.800 -0.854 0.000 3.015 1235 G HA2 0.735 4.695 3.960 0.000 0.000 0.281 1235 G HA3 0.735 4.695 3.960 0.000 0.000 0.281 1235 G C 0.097 174.507 174.900 -0.816 0.000 1.386 1235 G CA -0.081 44.401 45.100 -1.029 0.000 0.959 1235 G HN 1.207 nan 8.290 nan 0.000 0.522 1236 G N -1.120 107.425 108.800 -0.424 0.000 4.782 1236 G HA2 0.460 4.420 3.960 0.000 0.000 0.221 1236 G HA3 0.460 4.420 3.960 0.000 0.000 0.221 1236 G C 0.033 174.946 174.900 0.022 0.000 0.706 1236 G CA 0.860 45.876 45.100 -0.139 0.000 1.108 1236 G HN 1.329 nan 8.290 nan 0.000 0.722 1237 T N -2.652 111.957 114.554 0.091 0.000 2.916 1237 T HA 0.677 5.028 4.350 0.000 0.000 0.292 1237 T C -1.254 173.577 174.700 0.219 0.000 1.055 1237 T CA -1.079 61.090 62.100 0.115 0.000 1.009 1237 T CB 2.867 71.767 68.868 0.052 0.000 1.118 1237 T HN 0.358 nan 8.240 nan 0.000 0.497 1238 Y N 0.590 120.895 120.300 0.009 0.000 2.513 1238 Y HA 0.530 5.080 4.550 0.000 0.000 0.341 1238 Y C 0.258 176.142 175.900 -0.025 0.000 1.075 1238 Y CA -0.786 57.306 58.100 -0.015 0.000 1.190 1238 Y CB 0.651 39.099 38.460 -0.020 0.000 1.111 1238 Y HN 1.123 nan 8.280 nan 0.000 0.644 1239 G N 2.723 111.464 108.800 -0.098 0.000 2.571 1239 G HA2 0.443 4.403 3.960 0.000 0.000 0.327 1239 G HA3 0.443 4.403 3.960 0.000 0.000 0.327 1239 G C -0.659 174.142 174.900 -0.165 0.000 1.008 1239 G CA -0.331 44.720 45.100 -0.082 0.000 1.136 1239 G HN 0.288 nan 8.290 nan 0.000 0.444 1240 V N 2.456 122.283 119.914 -0.145 0.000 2.585 1240 V HA 0.417 4.537 4.120 0.000 0.000 0.296 1240 V C 1.633 177.659 176.094 -0.113 0.000 1.035 1240 V CA 1.409 63.606 62.300 -0.172 0.000 1.084 1240 V CB 0.805 32.569 31.823 -0.098 0.000 0.953 1240 V HN 1.363 nan 8.190 nan 0.000 0.483 1241 G N 3.665 112.376 108.800 -0.149 0.000 2.162 1241 G HA2 -0.226 3.734 3.960 0.000 0.000 0.260 1241 G HA3 -0.226 3.734 3.960 0.000 0.000 0.260 1241 G C 0.020 174.888 174.900 -0.053 0.000 0.976 1241 G CA 0.290 45.343 45.100 -0.078 0.000 0.655 1241 G HN 0.783 nan 8.290 nan 0.000 0.533 1242 D N -0.837 119.484 120.400 -0.132 0.000 2.274 1242 D HA 0.481 5.121 4.640 0.000 0.000 0.239 1242 D C 0.588 176.830 176.300 -0.097 0.000 1.104 1242 D CA -0.863 53.111 54.000 -0.044 0.000 0.840 1242 D CB 0.469 41.242 40.800 -0.045 0.000 1.100 1242 D HN 0.208 nan 8.370 nan 0.000 0.477 1243 W N 1.504 122.788 121.300 -0.025 0.000 3.220 1243 W HA 0.126 4.786 4.660 0.000 0.000 0.328 1243 W C 0.386 176.889 176.519 -0.026 0.000 1.205 1243 W CA -0.595 56.737 57.345 -0.021 0.000 1.773 1243 W CB 0.201 29.655 29.460 -0.010 0.000 1.086 1243 W HN 0.317 nan 8.180 nan 0.000 0.622 1244 D N 1.134 121.622 120.400 0.147 0.000 2.434 1244 D HA -0.004 4.636 4.640 0.000 0.000 0.252 1244 D C 0.813 177.134 176.300 0.034 0.000 1.185 1244 D CA 0.674 54.724 54.000 0.083 0.000 0.886 1244 D CB 1.016 41.843 40.800 0.046 0.000 1.148 1244 D HN 0.112 nan 8.370 nan 0.000 0.483 1245 L N 2.443 123.687 121.223 0.035 0.000 2.607 1245 L HA 0.063 4.403 4.340 0.000 0.000 0.228 1245 L C 0.989 177.837 176.870 -0.036 0.000 1.123 1245 L CA -0.102 54.732 54.840 -0.010 0.000 0.890 1245 L CB -0.159 41.914 42.059 0.023 0.000 1.103 1245 L HN 0.330 nan 8.230 nan 0.000 0.468 1246 S N -0.385 115.304 115.700 -0.019 0.000 2.586 1246 S HA 0.413 4.883 4.470 0.000 0.000 0.274 1246 S C -0.044 174.531 174.600 -0.042 0.000 1.281 1246 S CA -0.712 57.472 58.200 -0.025 0.000 1.035 1246 S CB 1.918 65.111 63.200 -0.012 0.000 0.962 1246 S HN -0.097 nan 8.310 nan 0.000 0.512 1247 V N 3.048 122.933 119.914 -0.048 0.000 2.521 1247 V HA 0.159 4.279 4.120 0.000 0.000 0.286 1247 V C 0.754 176.807 176.094 -0.068 0.000 1.034 1247 V CA -0.354 61.907 62.300 -0.064 0.000 1.045 1247 V CB -0.042 31.732 31.823 -0.081 0.000 0.974 1247 V HN 0.994 nan 8.190 nan 0.000 0.480 1248 N N 7.206 125.869 118.700 -0.062 0.000 2.406 1248 N HA 0.236 4.976 4.740 0.000 0.000 0.251 1248 N C -1.363 174.102 175.510 -0.075 0.000 1.069 1248 N CA -1.484 51.534 53.050 -0.053 0.000 0.947 1248 N CB 1.433 39.900 38.487 -0.033 0.000 1.111 1248 N HN 0.391 nan 8.380 nan 0.000 0.497 1249 P HA -0.139 nan 4.420 nan 0.000 0.219 1249 P C 0.606 177.868 177.300 -0.063 0.000 1.150 1249 P CA 1.168 64.208 63.100 -0.100 0.000 0.814 1249 P CB 0.347 31.998 31.700 -0.081 0.000 0.787 1250 E N -0.548 119.628 120.200 -0.040 0.000 2.110 1250 E HA -0.101 4.249 4.350 0.000 0.000 0.193 1250 E C 1.866 178.457 176.600 -0.016 0.000 0.988 1250 E CA 1.476 57.863 56.400 -0.022 0.000 0.804 1250 E CB -0.397 29.295 29.700 -0.014 0.000 0.745 1250 E HN 0.160 nan 8.360 nan 0.000 0.458 1251 T N -0.009 114.533 114.554 -0.020 0.000 2.867 1251 T HA -0.106 4.244 4.350 0.000 0.000 0.268 1251 T C 1.858 176.554 174.700 -0.007 0.000 1.057 1251 T CA 0.790 62.883 62.100 -0.010 0.000 1.136 1251 T CB -0.044 68.816 68.868 -0.014 0.000 0.874 1251 T HN -0.006 nan 8.240 nan 0.000 0.466 1252 V N 2.293 122.194 119.914 -0.022 0.000 2.255 1252 V HA -0.238 3.882 4.120 0.000 0.000 0.247 1252 V C 2.797 178.905 176.094 0.023 0.000 1.051 1252 V CA 1.639 63.943 62.300 0.006 0.000 1.018 1252 V CB -0.656 31.136 31.823 -0.052 0.000 0.641 1252 V HN 0.514 nan 8.190 nan 0.000 0.445 1253 Q N 0.320 120.125 119.800 0.008 0.000 2.084 1253 Q HA -0.239 4.101 4.340 0.000 0.000 0.202 1253 Q C 2.311 178.325 176.000 0.024 0.000 0.978 1253 Q CA 1.855 57.667 55.803 0.016 0.000 0.844 1253 Q CB -0.643 28.099 28.738 0.007 0.000 0.898 1253 Q HN 0.692 nan 8.270 nan 0.000 0.426 1254 R N 0.887 121.400 120.500 0.022 0.000 2.115 1254 R HA -0.035 4.305 4.340 0.000 0.000 0.230 1254 R C 2.211 178.543 176.300 0.053 0.000 1.111 1254 R CA 0.725 56.849 56.100 0.039 0.000 0.976 1254 R CB -0.120 30.203 30.300 0.038 0.000 0.870 1254 R HN 0.218 nan 8.270 nan 0.000 0.445 1255 I N 0.925 121.509 120.570 0.023 0.000 2.252 1255 I HA -0.263 3.907 4.170 0.000 0.000 0.245 1255 I C 2.166 178.290 176.117 0.012 0.000 1.102 1255 I CA 1.045 62.342 61.300 -0.006 0.000 1.385 1255 I CB -0.140 37.831 38.000 -0.048 0.000 1.064 1255 I HN 0.212 nan 8.210 nan 0.000 0.414 1256 L N 0.373 121.610 121.223 0.024 0.000 2.056 1256 L HA -0.188 4.152 4.340 0.000 0.000 0.207 1256 L C 2.549 179.446 176.870 0.045 0.000 1.078 1256 L CA 1.378 56.235 54.840 0.028 0.000 0.749 1256 L CB -0.608 41.471 42.059 0.033 0.000 0.901 1256 L HN 0.181 nan 8.230 nan 0.000 0.433 1257 K N -0.635 119.796 120.400 0.052 0.000 2.009 1257 K HA -0.257 4.063 4.320 0.000 0.000 0.210 1257 K C 2.102 178.760 176.600 0.095 0.000 1.049 1257 K CA 1.855 58.174 56.287 0.053 0.000 0.929 1257 K CB -0.407 32.114 32.500 0.035 0.000 0.714 1257 K HN 0.385 nan 8.250 nan 0.000 0.440 1258 H N -0.188 118.882 119.070 -0.001 0.000 2.353 1258 H HA -0.148 4.408 4.556 0.000 0.000 0.300 1258 H C 2.096 177.430 175.328 0.010 0.000 1.090 1258 H CA 1.415 57.465 56.048 0.004 0.000 1.327 1258 H CB 0.101 29.867 29.762 0.005 0.000 1.383 1258 H HN 0.228 nan 8.280 nan 0.000 0.508 1259 C N 0.200 119.584 119.300 0.141 0.000 2.425 1259 C HA -0.108 4.352 4.460 0.000 0.000 0.277 1259 C C 2.743 177.779 174.990 0.078 0.000 1.280 1259 C CA 0.680 59.734 59.018 0.060 0.000 1.744 1259 C CB -0.989 26.744 27.740 -0.012 0.000 1.989 1259 C HN 0.587 nan 8.230 nan 0.000 0.491 1260 L N 1.146 122.409 121.223 0.067 0.000 2.012 1260 L HA -0.127 4.213 4.340 0.000 0.000 0.210 1260 L C 2.694 179.598 176.870 0.057 0.000 1.073 1260 L CA 1.796 56.666 54.840 0.050 0.000 0.748 1260 L CB -0.751 41.330 42.059 0.036 0.000 0.891 1260 L HN 0.248 nan 8.230 nan 0.000 0.431 1261 R N -0.695 119.846 120.500 0.067 0.000 2.133 1261 R HA -0.239 4.101 4.340 0.000 0.000 0.245 1261 R C 2.270 178.617 176.300 0.078 0.000 1.137 1261 R CA 2.256 58.389 56.100 0.055 0.000 0.947 1261 R CB -0.881 29.447 30.300 0.048 0.000 0.865 1261 R HN 0.421 nan 8.270 nan 0.000 0.437 1262 L N -0.489 120.816 121.223 0.137 0.000 2.083 1262 L HA -0.121 4.219 4.340 0.000 0.000 0.209 1262 L C 0.440 177.380 176.870 0.115 0.000 1.083 1262 L CA 1.001 55.934 54.840 0.156 0.000 0.752 1262 L CB -0.124 42.048 42.059 0.189 0.000 0.899 1262 L HN 0.216 nan 8.230 nan 0.000 0.433 1263 D N -2.254 118.195 120.400 0.082 0.000 2.296 1263 D HA 0.122 4.762 4.640 0.000 0.000 0.224 1263 D C -2.220 174.105 176.300 0.042 0.000 1.324 1263 D CA -1.171 52.865 54.000 0.061 0.000 0.940 1263 D CB 1.215 42.053 40.800 0.063 0.000 1.492 1263 D HN -0.247 nan 8.370 nan 0.000 0.531 1264 P HA -0.084 nan 4.420 nan 0.000 0.221 1264 P C 1.330 178.641 177.300 0.019 0.000 1.145 1264 P CA 1.255 64.369 63.100 0.024 0.000 0.795 1264 P CB 0.082 31.793 31.700 0.019 0.000 0.775 1265 T N -2.710 111.856 114.554 0.020 0.000 3.155 1265 T HA -0.086 4.264 4.350 0.000 0.000 0.264 1265 T C 1.502 176.210 174.700 0.012 0.000 1.160 1265 T CA 0.360 62.468 62.100 0.014 0.000 1.075 1265 T CB -1.333 67.543 68.868 0.014 0.000 0.921 1265 T HN 0.273 nan 8.240 nan 0.000 0.533 1266 I N -1.023 119.556 120.570 0.014 0.000 3.111 1266 I HA 0.236 4.406 4.170 0.000 0.000 0.272 1266 I C 0.966 177.087 176.117 0.007 0.000 1.268 1266 I CA -0.292 61.013 61.300 0.009 0.000 1.467 1266 I CB -0.284 37.722 38.000 0.009 0.000 1.087 1266 I HN 0.179 nan 8.210 nan 0.000 0.467 1267 S N 1.038 116.743 115.700 0.009 0.000 2.616 1267 S HA 0.251 4.721 4.470 0.000 0.000 0.277 1267 S C 1.357 175.961 174.600 0.006 0.000 1.234 1267 S CA -0.002 58.203 58.200 0.008 0.000 1.028 1267 S CB 1.494 64.701 63.200 0.010 0.000 0.988 1267 S HN 0.484 nan 8.310 nan 0.000 0.522 1268 S N 1.441 117.144 115.700 0.005 0.000 2.453 1268 S HA -0.036 4.434 4.470 0.000 0.000 0.231 1268 S C 0.210 174.813 174.600 0.005 0.000 1.005 1268 S CA 1.215 59.417 58.200 0.004 0.000 0.949 1268 S CB -0.484 62.719 63.200 0.004 0.000 0.774 1268 S HN 0.855 nan 8.310 nan 0.000 0.510 1269 D N -1.641 118.763 120.400 0.006 0.000 2.740 1269 D HA 0.341 4.981 4.640 0.000 0.000 0.305 1269 D C 0.824 177.128 176.300 0.007 0.000 1.583 1269 D CA -0.040 53.963 54.000 0.006 0.000 0.790 1269 D CB -0.427 40.376 40.800 0.005 0.000 1.187 1269 D HN 0.350 nan 8.370 nan 0.000 0.447 1270 G N 0.652 109.457 108.800 0.008 0.000 2.233 1270 G HA2 -0.252 3.708 3.960 0.000 0.000 0.270 1270 G HA3 -0.252 3.708 3.960 0.000 0.000 0.270 1270 G C 0.396 175.302 174.900 0.010 0.000 1.011 1270 G CA 0.870 45.976 45.100 0.010 0.000 0.762 1270 G HN 0.914 nan 8.290 nan 0.000 0.511 1271 T N -3.116 111.444 114.554 0.009 0.000 2.912 1271 T HA 0.700 5.050 4.350 0.000 0.000 0.288 1271 T C 1.374 176.081 174.700 0.012 0.000 1.030 1271 T CA -0.736 61.370 62.100 0.010 0.000 1.020 1271 T CB 1.764 70.637 68.868 0.008 0.000 1.056 1271 T HN -0.055 nan 8.240 nan 0.000 0.480 1272 I N 1.059 121.638 120.570 0.014 0.000 2.264 1272 I HA -0.102 4.068 4.170 0.000 0.000 0.248 1272 I C 2.128 178.255 176.117 0.018 0.000 1.111 1272 I CA 1.443 62.753 61.300 0.017 0.000 1.382 1272 I CB -1.312 36.699 38.000 0.019 0.000 1.060 1272 I HN 0.765 nan 8.210 nan 0.000 0.418 1273 E N -0.143 120.066 120.200 0.015 0.000 2.418 1273 E HA -0.032 4.318 4.350 0.000 0.000 0.197 1273 E C 2.079 178.687 176.600 0.013 0.000 1.026 1273 E CA 0.782 57.191 56.400 0.015 0.000 0.862 1273 E CB -0.437 29.270 29.700 0.012 0.000 0.799 1273 E HN 0.490 nan 8.360 nan 0.000 0.518 1274 G N 0.167 108.974 108.800 0.011 0.000 2.986 1274 G HA2 0.101 4.061 3.960 0.000 0.000 0.213 1274 G HA3 0.101 4.061 3.960 0.000 0.000 0.213 1274 G C 0.430 175.335 174.900 0.008 0.000 1.156 1274 G CA -0.398 44.707 45.100 0.009 0.000 0.763 1274 G HN 0.121 nan 8.290 nan 0.000 0.547 1275 I N 1.429 122.005 120.570 0.009 0.000 2.517 1275 I HA 0.066 4.236 4.170 0.000 0.000 0.285 1275 I C 0.291 176.409 176.117 0.002 0.000 1.106 1275 I CA 0.022 61.325 61.300 0.005 0.000 1.402 1275 I CB 1.123 39.127 38.000 0.008 0.000 1.399 1275 I HN 0.050 nan 8.210 nan 0.000 0.535 1276 E N 6.607 126.805 120.200 -0.005 0.000 1.893 1276 E HA 0.204 4.554 4.350 0.000 0.000 0.269 1276 E C -0.869 175.716 176.600 -0.025 0.000 1.129 1276 E CA -0.540 55.855 56.400 -0.009 0.000 0.904 1276 E CB 0.665 30.361 29.700 -0.007 0.000 1.077 1276 E HN 0.393 nan 8.360 nan 0.000 0.407 1277 V N 6.645 126.539 119.914 -0.033 0.000 2.479 1277 V HA -0.051 4.069 4.120 0.000 0.000 0.281 1277 V C 1.335 177.379 176.094 -0.083 0.000 1.031 1277 V CA 0.389 62.638 62.300 -0.085 0.000 1.038 1277 V CB 0.761 32.529 31.823 -0.091 0.000 0.981 1277 V HN 0.795 nan 8.190 nan 0.000 0.478 1278 L N 4.054 125.219 121.223 -0.098 0.000 2.253 1278 L HA 0.329 4.669 4.340 0.000 0.000 0.205 1278 L C 1.149 177.975 176.870 -0.073 0.000 1.078 1278 L CA 0.684 55.488 54.840 -0.061 0.000 0.805 1278 L CB 0.093 42.131 42.059 -0.035 0.000 0.963 1278 L HN 0.573 nan 8.230 nan 0.000 0.459 1279 R N -1.026 119.384 120.500 -0.151 0.000 2.644 1279 R HA 0.268 4.608 4.340 0.000 0.000 0.257 1279 R C -1.446 174.700 176.300 -0.257 0.000 1.082 1279 R CA -0.656 55.376 56.100 -0.113 0.000 0.927 1279 R CB 1.414 31.727 30.300 0.021 0.000 1.258 1279 R HN 0.013 nan 8.270 nan 0.000 0.459 1280 H N 2.583 121.671 119.070 0.030 0.000 2.488 1280 H HA 0.384 4.940 4.556 0.000 0.000 0.322 1280 H C -0.573 174.744 175.328 -0.018 0.000 1.078 1280 H CA -0.518 55.532 56.048 0.002 0.000 1.260 1280 H CB 1.445 31.201 29.762 -0.010 0.000 1.425 1280 H HN 0.434 nan 8.280 nan 0.000 0.471 1281 N N 2.077 120.808 118.700 0.051 0.000 2.240 1281 N HA 0.341 5.081 4.740 0.000 0.000 0.302 1281 N C -0.910 174.465 175.510 -0.224 0.000 1.106 1281 N CA -0.624 52.359 53.050 -0.112 0.000 0.778 1281 N CB 3.210 41.708 38.487 0.018 0.000 1.431 1281 N HN 0.168 nan 8.380 nan 0.000 0.479 1282 V N 0.239 119.863 119.914 -0.483 0.000 2.525 1282 V HA 0.709 4.829 4.120 0.000 0.000 0.299 1282 V C 0.290 175.939 176.094 -0.743 0.000 1.034 1282 V CA -0.770 61.273 62.300 -0.428 0.000 0.863 1282 V CB 1.658 33.328 31.823 -0.256 0.000 0.999 1282 V HN 0.828 nan 8.190 nan 0.000 0.423 1283 G N 3.817 112.285 108.800 -0.554 0.000 2.498 1283 G HA2 0.799 4.759 3.960 0.000 0.000 0.312 1283 G HA3 0.799 4.759 3.960 0.000 0.000 0.312 1283 G C -1.333 173.456 174.900 -0.185 0.000 1.230 1283 G CA -0.803 43.999 45.100 -0.497 0.000 0.968 1283 G HN 0.594 nan 8.290 nan 0.000 0.481 1284 L N 1.292 122.458 121.223 -0.096 0.000 2.319 1284 L HA 0.468 4.808 4.340 0.000 0.000 0.281 1284 L C 0.367 177.198 176.870 -0.064 0.000 1.005 1284 L CA -0.836 53.924 54.840 -0.134 0.000 0.828 1284 L CB 1.744 43.665 42.059 -0.230 0.000 1.227 1284 L HN 0.415 nan 8.230 nan 0.000 0.415 1285 R N 3.474 123.926 120.500 -0.080 0.000 2.489 1285 R HA 0.180 4.520 4.340 0.000 0.000 0.287 1285 R C -2.310 173.951 176.300 -0.065 0.000 1.053 1285 R CA -1.429 54.654 56.100 -0.029 0.000 1.036 1285 R CB 0.090 30.359 30.300 -0.052 0.000 0.966 1285 R HN 0.289 nan 8.270 nan 0.000 0.432 1286 P HA 0.191 nan 4.420 nan 0.000 0.274 1286 P C -1.207 176.119 177.300 0.043 0.000 1.504 1286 P CA -0.176 62.943 63.100 0.032 0.000 1.011 1286 P CB 1.414 33.189 31.700 0.124 0.000 1.366 1287 A N 3.796 126.600 122.820 -0.027 0.000 2.284 1287 A HA 0.906 5.226 4.320 0.000 0.000 0.317 1287 A C -0.398 177.178 177.584 -0.014 0.000 1.120 1287 A CA -0.832 51.189 52.037 -0.027 0.000 0.900 1287 A CB 1.309 20.263 19.000 -0.078 0.000 1.319 1287 A HN 0.426 nan 8.150 nan 0.000 0.494 1288 R N 0.143 120.622 120.500 -0.035 0.000 2.508 1288 R HA 0.330 4.670 4.340 0.000 0.000 0.283 1288 R C -1.148 175.127 176.300 -0.041 0.000 1.120 1288 R CA -0.508 55.574 56.100 -0.029 0.000 0.958 1288 R CB 1.122 31.379 30.300 -0.072 0.000 1.215 1288 R HN 0.845 nan 8.270 nan 0.000 0.427 1289 R N 2.049 122.536 120.500 -0.021 0.000 2.484 1289 R HA 0.165 4.505 4.340 0.000 0.000 0.293 1289 R C 0.687 176.965 176.300 -0.036 0.000 1.023 1289 R CA 1.382 57.469 56.100 -0.022 0.000 1.037 1289 R CB 0.632 30.927 30.300 -0.007 0.000 0.951 1289 R HN 1.015 nan 8.270 nan 0.000 0.418 1290 G N 1.088 109.863 108.800 -0.041 0.000 2.176 1290 G HA2 -0.134 3.826 3.960 0.000 0.000 0.232 1290 G HA3 -0.134 3.826 3.960 0.000 0.000 0.232 1290 G C 0.465 175.320 174.900 -0.075 0.000 0.986 1290 G CA -0.171 44.898 45.100 -0.052 0.000 0.643 1290 G HN 1.232 nan 8.290 nan 0.000 0.522 1291 G N -0.846 107.904 108.800 -0.083 0.000 2.707 1291 G HA2 0.322 4.282 3.960 0.000 0.000 0.686 1291 G HA3 0.322 4.282 3.960 0.000 0.000 0.686 1291 G C -2.022 172.769 174.900 -0.181 0.000 1.315 1291 G CA 0.026 45.066 45.100 -0.101 0.000 0.832 1291 G HN 0.936 nan 8.290 nan 0.000 0.573 1292 P HA 0.286 nan 4.420 nan 0.000 0.269 1292 P C -0.277 176.796 177.300 -0.377 0.000 1.215 1292 P CA -0.085 62.732 63.100 -0.471 0.000 0.780 1292 P CB 0.654 31.948 31.700 -0.676 0.000 0.898 1293 R N 1.883 122.037 120.500 -0.576 0.000 2.239 1293 R HA 0.457 4.797 4.340 0.000 0.000 0.332 1293 R C -1.398 174.754 176.300 -0.247 0.000 0.988 1293 R CA -0.557 55.279 56.100 -0.440 0.000 0.859 1293 R CB 0.425 30.272 30.300 -0.756 0.000 1.148 1293 R HN 0.242 nan 8.270 nan 0.000 0.482 1294 V N 6.066 125.965 119.914 -0.024 0.000 2.385 1294 V HA 0.313 4.433 4.120 0.000 0.000 0.277 1294 V C -0.786 175.378 176.094 0.117 0.000 1.012 1294 V CA -0.456 61.894 62.300 0.084 0.000 0.832 1294 V CB 1.127 33.049 31.823 0.164 0.000 1.028 1294 V HN 0.912 nan 8.190 nan 0.000 0.436 1295 E N 3.884 124.162 120.200 0.129 0.000 2.388 1295 E HA 0.771 5.121 4.350 0.000 0.000 0.281 1295 E C -1.360 175.311 176.600 0.119 0.000 1.046 1295 E CA -0.981 55.495 56.400 0.126 0.000 0.825 1295 E CB 2.128 31.902 29.700 0.123 0.000 1.243 1295 E HN 0.554 nan 8.360 nan 0.000 0.438 1296 A N 1.656 124.532 122.820 0.094 0.000 2.305 1296 A HA 0.558 4.878 4.320 0.000 0.000 0.322 1296 A C -0.471 177.155 177.584 0.070 0.000 1.187 1296 A CA -0.433 51.640 52.037 0.060 0.000 0.825 1296 A CB 1.197 20.253 19.000 0.092 0.000 1.164 1296 A HN 0.653 nan 8.150 nan 0.000 0.498 1297 E N 2.194 122.407 120.200 0.022 0.000 2.288 1297 E HA 0.499 4.849 4.350 0.000 0.000 0.268 1297 E C -0.938 175.652 176.600 -0.016 0.000 0.885 1297 E CA -0.915 55.512 56.400 0.045 0.000 0.767 1297 E CB 1.210 30.985 29.700 0.125 0.000 1.220 1297 E HN 0.552 nan 8.360 nan 0.000 0.427 1298 R N 3.166 123.633 120.500 -0.055 0.000 2.312 1298 R HA 0.539 4.879 4.340 0.000 0.000 0.311 1298 R C -0.560 175.662 176.300 -0.129 0.000 1.004 1298 R CA -0.594 55.408 56.100 -0.162 0.000 0.902 1298 R CB 0.713 30.853 30.300 -0.267 0.000 1.073 1298 R HN 0.570 nan 8.270 nan 0.000 0.457 1299 I N 1.488 121.954 120.570 -0.174 0.000 2.647 1299 I HA 0.274 4.444 4.170 0.000 0.000 0.295 1299 I C -0.526 175.465 176.117 -0.210 0.000 1.078 1299 I CA -0.950 60.258 61.300 -0.153 0.000 1.048 1299 I CB 2.669 40.599 38.000 -0.118 0.000 1.239 1299 I HN 0.108 nan 8.210 nan 0.000 0.421 1300 V N 6.371 126.193 119.914 -0.154 0.000 2.472 1300 V HA 0.464 4.585 4.120 0.000 0.000 0.290 1300 V C -0.101 175.903 176.094 -0.150 0.000 1.037 1300 V CA -0.473 61.734 62.300 -0.155 0.000 0.908 1300 V CB 1.557 33.315 31.823 -0.109 0.000 0.985 1300 V HN 0.417 nan 8.190 nan 0.000 0.454 1301 L N 6.967 128.087 121.223 -0.172 0.000 2.330 1301 L HA 0.603 4.943 4.340 0.000 0.000 0.271 1301 L C -2.316 174.497 176.870 -0.095 0.000 1.013 1301 L CA -1.895 52.862 54.840 -0.139 0.000 0.816 1301 L CB 2.702 44.647 42.059 -0.190 0.000 1.287 1301 L HN 0.428 nan 8.230 nan 0.000 0.435 1302 P HA 0.218 nan 4.420 nan 0.000 0.276 1302 P C -0.840 176.433 177.300 -0.044 0.000 1.261 1302 P CA -0.514 62.555 63.100 -0.051 0.000 0.800 1302 P CB 0.859 32.540 31.700 -0.030 0.000 1.066 1303 L N 1.155 122.360 121.223 -0.030 0.000 2.426 1303 L HA 0.221 4.561 4.340 0.000 0.000 0.271 1303 L C 0.972 177.832 176.870 -0.016 0.000 1.169 1303 L CA 0.101 54.928 54.840 -0.021 0.000 0.836 1303 L CB -0.132 41.923 42.059 -0.006 0.000 1.112 1303 L HN 0.515 nan 8.230 nan 0.000 0.465 1304 D N 0.062 120.453 120.400 -0.015 0.000 2.374 1304 D HA 0.296 4.936 4.640 0.000 0.000 0.239 1304 D C 0.568 176.863 176.300 -0.007 0.000 0.991 1304 D CA -0.942 53.051 54.000 -0.012 0.000 0.960 1304 D CB 1.158 41.950 40.800 -0.014 0.000 1.284 1304 D HN 0.214 nan 8.370 nan 0.000 0.512 1305 R N -0.524 119.973 120.500 -0.006 0.000 2.293 1305 R HA -0.058 4.282 4.340 0.000 0.000 0.219 1305 R C 1.683 177.981 176.300 -0.003 0.000 1.091 1305 R CA 1.989 58.086 56.100 -0.004 0.000 1.004 1305 R CB -0.830 29.467 30.300 -0.004 0.000 0.865 1305 R HN 0.700 nan 8.270 nan 0.000 0.469 1306 T N -2.710 111.841 114.554 -0.005 0.000 3.067 1306 T HA -0.001 4.349 4.350 0.000 0.000 0.261 1306 T C 1.678 176.376 174.700 -0.003 0.000 1.110 1306 T CA 0.879 62.977 62.100 -0.004 0.000 1.113 1306 T CB -0.038 68.826 68.868 -0.006 0.000 0.917 1306 T HN 0.144 nan 8.240 nan 0.000 0.499 1307 K N 1.645 122.043 120.400 -0.003 0.000 2.137 1307 K HA 0.215 4.535 4.320 0.000 0.000 0.202 1307 K C 0.711 177.315 176.600 0.006 0.000 1.052 1307 K CA 0.529 56.816 56.287 0.000 0.000 0.961 1307 K CB -0.043 32.455 32.500 -0.003 0.000 0.741 1307 K HN 0.287 nan 8.250 nan 0.000 0.452 1308 S N -0.141 115.562 115.700 0.005 0.000 2.672 1308 S HA 0.412 4.882 4.470 0.000 0.000 0.291 1308 S C -2.485 172.117 174.600 0.003 0.000 1.145 1308 S CA -1.692 56.512 58.200 0.007 0.000 1.013 1308 S CB 1.507 64.713 63.200 0.010 0.000 1.017 1308 S HN -0.030 nan 8.310 nan 0.000 0.487 1309 P HA -0.013 nan 4.420 nan 0.000 0.219 1309 P C 0.711 178.010 177.300 -0.001 0.000 1.146 1309 P CA 1.036 64.136 63.100 0.000 0.000 0.808 1309 P CB 0.064 31.764 31.700 0.001 0.000 0.779 1310 L N -1.271 119.952 121.223 0.001 0.000 2.653 1310 L HA 0.138 4.478 4.340 0.000 0.000 0.231 1310 L C 0.832 177.702 176.870 0.001 0.000 1.153 1310 L CA -0.241 54.598 54.840 -0.001 0.000 0.933 1310 L CB -0.578 41.481 42.059 -0.001 0.000 1.175 1310 L HN -0.039 nan 8.230 nan 0.000 0.473 1311 S N 0.787 116.488 115.700 0.001 0.000 2.560 1311 S HA 0.321 4.791 4.470 0.000 0.000 0.284 1311 S C 0.112 174.712 174.600 0.000 0.000 1.327 1311 S CA -0.510 57.691 58.200 0.002 0.000 1.055 1311 S CB 0.811 64.011 63.200 0.000 0.000 0.868 1311 S HN 0.151 nan 8.310 nan 0.000 0.506 1312 L N 2.655 123.878 121.223 0.001 0.000 2.468 1312 L HA 0.630 4.970 4.340 0.000 0.000 0.254 1312 L C 1.421 178.290 176.870 -0.002 0.000 1.171 1312 L CA 0.185 55.025 54.840 -0.000 0.000 0.809 1312 L CB -0.529 41.531 42.059 0.002 0.000 1.155 1312 L HN 1.211 nan 8.230 nan 0.000 0.473 1313 G N 0.713 109.512 108.800 -0.002 0.000 2.642 1313 G HA2 -0.204 3.756 3.960 0.000 0.000 0.231 1313 G HA3 -0.204 3.756 3.960 0.000 0.000 0.231 1313 G C -0.491 174.407 174.900 -0.004 0.000 1.338 1313 G CA -0.610 44.488 45.100 -0.003 0.000 0.883 1313 G HN 0.610 nan 8.290 nan 0.000 0.570 1314 R N 0.649 121.147 120.500 -0.004 0.000 2.410 1314 R HA 0.460 4.801 4.340 0.000 0.000 0.288 1314 R C 1.931 178.228 176.300 -0.005 0.000 1.051 1314 R CA -0.010 56.087 56.100 -0.005 0.000 1.021 1314 R CB 0.783 31.080 30.300 -0.005 0.000 1.032 1314 R HN 1.062 nan 8.270 nan 0.000 0.481 1315 G N 1.707 110.504 108.800 -0.005 0.000 2.596 1315 G HA2 -0.304 3.656 3.960 0.000 0.000 0.223 1315 G HA3 -0.304 3.656 3.960 0.000 0.000 0.223 1315 G C 0.239 175.135 174.900 -0.006 0.000 1.120 1315 G CA 0.766 45.863 45.100 -0.005 0.000 0.752 1315 G HN 0.607 nan 8.290 nan 0.000 0.596 1316 S N 0.560 116.256 115.700 -0.006 0.000 2.430 1316 S HA 0.657 5.127 4.470 0.000 0.000 0.282 1316 S C 0.004 174.599 174.600 -0.008 0.000 1.186 1316 S CA -0.145 58.051 58.200 -0.007 0.000 1.060 1316 S CB 1.487 64.683 63.200 -0.006 0.000 0.966 1316 S HN 0.807 nan 8.310 nan 0.000 0.501 1317 A N 3.355 126.170 122.820 -0.009 0.000 2.498 1317 A HA 0.906 5.226 4.320 0.000 0.000 0.298 1317 A C -0.080 177.496 177.584 -0.013 0.000 1.075 1317 A CA -0.945 51.085 52.037 -0.011 0.000 0.714 1317 A CB 1.808 20.801 19.000 -0.012 0.000 1.299 1317 A HN 0.809 nan 8.150 nan 0.000 0.407 1318 R N -0.365 120.127 120.500 -0.014 0.000 3.444 1318 R HA 0.677 5.017 4.340 0.000 0.000 0.255 1318 R C 1.255 177.543 176.300 -0.019 0.000 1.246 1318 R CA 0.052 56.143 56.100 -0.016 0.000 0.990 1318 R CB 0.275 30.567 30.300 -0.013 0.000 1.503 1318 R HN 1.017 nan 8.270 nan 0.000 0.449 1319 A N 0.982 123.791 122.820 -0.019 0.000 2.934 1319 A HA 0.095 4.415 4.320 0.000 0.000 0.186 1319 A C 0.871 178.443 177.584 -0.021 0.000 0.968 1319 A CA 2.288 54.312 52.037 -0.021 0.000 1.058 1319 A CB -1.475 17.514 19.000 -0.018 0.000 0.780 1319 A HN 1.470 nan 8.150 nan 0.000 0.567 1320 A N -3.099 119.710 122.820 -0.018 0.000 2.791 1320 A HA -0.050 4.270 4.320 0.000 0.000 0.292 1320 A C 0.580 178.152 177.584 -0.020 0.000 1.487 1320 A CA 1.895 53.922 52.037 -0.016 0.000 0.760 1320 A CB -1.854 17.137 19.000 -0.014 0.000 1.031 1320 A HN 1.519 nan 8.150 nan 0.000 0.503 1321 K N -1.965 118.422 120.400 -0.023 0.000 4.109 1321 K HA -0.087 4.233 4.320 0.000 0.000 0.794 1321 K C -0.082 176.496 176.600 -0.036 0.000 1.906 1321 K CA 0.851 57.121 56.287 -0.028 0.000 1.279 1321 K CB -0.931 31.553 32.500 -0.028 0.000 2.332 1321 K HN 1.263 nan 8.250 nan 0.000 0.276 1322 E N 0.983 121.155 120.200 -0.047 0.000 2.387 1322 E HA -0.026 4.324 4.350 0.000 0.000 0.220 1322 E C -0.935 175.619 176.600 -0.077 0.000 1.177 1322 E CA -0.053 56.310 56.400 -0.061 0.000 0.494 1322 E CB 0.174 29.842 29.700 -0.054 0.000 0.958 1322 E HN 0.442 nan 8.360 nan 0.000 0.421 1323 K N 0.747 121.090 120.400 -0.095 0.000 2.090 1323 K HA 0.554 4.874 4.320 0.000 0.000 0.250 1323 K C -0.125 176.376 176.600 -0.166 0.000 1.004 1323 K CA -0.629 55.587 56.287 -0.118 0.000 0.919 1323 K CB 1.950 34.382 32.500 -0.113 0.000 1.045 1323 K HN 0.139 nan 8.250 nan 0.000 0.471 1324 E N 1.155 121.241 120.200 -0.191 0.000 2.210 1324 E HA 0.316 4.666 4.350 0.000 0.000 0.266 1324 E C -1.111 175.306 176.600 -0.306 0.000 0.883 1324 E CA -1.021 55.232 56.400 -0.246 0.000 0.761 1324 E CB 1.911 31.474 29.700 -0.229 0.000 1.156 1324 E HN 0.546 nan 8.360 nan 0.000 0.412 1325 V N 0.132 119.824 119.914 -0.371 0.000 3.158 1325 V HA 0.678 4.798 4.120 0.000 0.000 0.311 1325 V C -0.375 175.598 176.094 -0.201 0.000 1.181 1325 V CA -0.803 61.298 62.300 -0.331 0.000 1.054 1325 V CB 1.861 33.250 31.823 -0.724 0.000 1.085 1325 V HN 0.588 nan 8.190 nan 0.000 0.446 1326 T N 2.863 117.483 114.554 0.109 0.000 2.794 1326 T HA 0.686 5.036 4.350 0.000 0.000 0.280 1326 T C -0.858 174.006 174.700 0.272 0.000 0.987 1326 T CA -0.058 62.129 62.100 0.146 0.000 0.993 1326 T CB 1.231 70.268 68.868 0.282 0.000 0.939 1326 T HN 0.752 nan 8.240 nan 0.000 0.449 1327 L N 4.942 126.240 121.223 0.126 0.000 2.318 1327 L HA 0.539 4.879 4.340 0.000 0.000 0.277 1327 L C -0.899 175.845 176.870 -0.209 0.000 1.008 1327 L CA -0.567 54.287 54.840 0.023 0.000 0.846 1327 L CB 1.068 43.138 42.059 0.017 0.000 1.220 1327 L HN 0.450 nan 8.230 nan 0.000 0.423 1328 V N 5.342 125.159 119.914 -0.162 0.000 2.334 1328 V HA 0.310 4.430 4.120 0.000 0.000 0.267 1328 V C 0.151 176.163 176.094 -0.136 0.000 1.040 1328 V CA -0.756 61.461 62.300 -0.139 0.000 0.866 1328 V CB 0.235 32.024 31.823 -0.057 0.000 1.019 1328 V HN 0.573 nan 8.190 nan 0.000 0.468 1329 H N 3.635 122.774 119.070 0.115 0.000 2.848 1329 H HA 0.506 5.062 4.556 0.000 0.000 0.341 1329 H C 0.385 175.789 175.328 0.127 0.000 1.060 1329 H CA 0.149 56.310 56.048 0.188 0.000 1.444 1329 H CB 1.383 31.265 29.762 0.201 0.000 1.446 1329 H HN 0.743 nan 8.280 nan 0.000 0.583 1330 A N 4.627 127.662 122.820 0.359 0.000 3.158 1330 A HA 0.427 4.747 4.320 0.000 0.000 0.302 1330 A C -1.288 176.565 177.584 0.450 0.000 1.162 1330 A CA -0.693 51.511 52.037 0.279 0.000 0.824 1330 A CB -0.034 19.075 19.000 0.181 0.000 1.322 1330 A HN 0.696 nan 8.150 nan 0.000 0.510 1331 Y N -2.621 117.717 120.300 0.063 0.000 2.670 1331 Y HA 0.708 5.258 4.550 0.000 0.000 0.334 1331 Y C 0.593 176.332 175.900 -0.269 0.000 1.185 1331 Y CA -0.872 57.249 58.100 0.034 0.000 1.053 1331 Y CB 0.694 39.196 38.460 0.071 0.000 1.298 1331 Y HN 1.627 nan 8.280 nan 0.000 0.459 1332 G N 0.523 109.316 108.800 -0.011 0.000 2.248 1332 G HA2 -0.257 3.703 3.960 0.000 0.000 0.252 1332 G HA3 -0.257 3.703 3.960 0.000 0.000 0.252 1332 G C -0.505 174.258 174.900 -0.228 0.000 1.085 1332 G CA 0.162 45.198 45.100 -0.106 0.000 0.845 1332 G HN 0.690 nan 8.290 nan 0.000 0.494 1333 F N 0.491 120.481 119.950 0.066 0.000 2.811 1333 F HA 0.303 4.830 4.527 0.000 0.000 0.301 1333 F C 2.054 177.908 175.800 0.091 0.000 1.151 1333 F CA 1.323 59.373 58.000 0.084 0.000 1.412 1333 F CB 0.242 39.284 39.000 0.070 0.000 1.113 1333 F HN 0.631 nan 8.300 nan 0.000 0.579 1334 S N 0.669 116.475 115.700 0.177 0.000 4.112 1334 S HA -0.378 4.092 4.470 0.000 0.000 0.602 1334 S C 1.635 176.318 174.600 0.138 0.000 1.939 1334 S CA 1.974 60.232 58.200 0.097 0.000 4.230 1334 S CB -1.628 61.608 63.200 0.060 0.000 0.245 1334 S HN 0.475 nan 8.310 nan 0.000 0.530 1335 S N 0.969 116.742 115.700 0.121 0.000 2.605 1335 S HA 0.662 5.132 4.470 0.000 0.000 0.217 1335 S C 0.599 175.372 174.600 0.288 0.000 0.958 1335 S CA 0.676 58.956 58.200 0.134 0.000 0.919 1335 S CB 0.531 63.694 63.200 -0.061 0.000 0.780 1335 S HN 1.636 nan 8.310 nan 0.000 0.507 1336 A N 0.328 123.342 122.820 0.323 0.000 2.605 1336 A HA 0.729 5.049 4.320 0.000 0.000 0.292 1336 A C 1.581 179.327 177.584 0.271 0.000 1.055 1336 A CA 0.058 52.302 52.037 0.344 0.000 0.969 1336 A CB -0.414 18.807 19.000 0.368 0.000 1.236 1336 A HN 0.476 nan 8.150 nan 0.000 0.534 1337 G N -0.406 108.549 108.800 0.258 0.000 2.418 1337 G HA2 -0.184 3.776 3.960 0.000 0.000 0.217 1337 G HA3 -0.184 3.776 3.960 0.000 0.000 0.217 1337 G C 1.253 176.133 174.900 -0.032 0.000 1.158 1337 G CA 1.421 46.547 45.100 0.044 0.000 0.771 1337 G HN 0.498 nan 8.290 nan 0.000 0.545 1338 Y N 1.261 121.620 120.300 0.098 0.000 2.133 1338 Y HA -0.133 4.417 4.550 0.000 0.000 0.287 1338 Y C 3.216 179.184 175.900 0.112 0.000 1.134 1338 Y CA 1.807 60.022 58.100 0.191 0.000 1.133 1338 Y CB -0.345 38.285 38.460 0.283 0.000 0.987 1338 Y HN 0.393 nan 8.280 nan 0.000 0.502 1339 Q N 0.001 119.920 119.800 0.198 0.000 2.437 1339 Q HA -0.172 4.168 4.340 0.000 0.000 0.210 1339 Q C 1.032 176.992 176.000 -0.066 0.000 0.972 1339 Q CA 1.401 57.146 55.803 -0.096 0.000 0.903 1339 Q CB -0.248 28.364 28.738 -0.210 0.000 0.967 1339 Q HN 0.573 nan 8.270 nan 0.000 0.486 1340 Q N 0.516 120.320 119.800 0.006 0.000 2.246 1340 Q HA 0.066 4.407 4.340 0.000 0.000 0.222 1340 Q C 1.921 177.856 176.000 -0.109 0.000 0.851 1340 Q CA 0.524 56.380 55.803 0.087 0.000 0.945 1340 Q CB 0.835 29.745 28.738 0.288 0.000 1.122 1340 Q HN 0.511 nan 8.270 nan 0.000 0.508 1341 S N 0.354 115.952 115.700 -0.172 0.000 2.359 1341 S HA -0.202 4.268 4.470 0.000 0.000 0.224 1341 S C 1.525 176.050 174.600 -0.125 0.000 1.035 1341 S CA 0.654 58.706 58.200 -0.247 0.000 1.018 1341 S CB -0.618 62.526 63.200 -0.094 0.000 0.876 1341 S HN 0.624 nan 8.310 nan 0.000 0.448 1342 W N 2.442 123.669 121.300 -0.123 0.000 2.418 1342 W HA 0.084 4.744 4.660 0.000 0.000 0.292 1342 W C 2.344 178.816 176.519 -0.077 0.000 1.213 1342 W CA 1.026 58.333 57.345 -0.064 0.000 1.283 1342 W CB -0.671 28.789 29.460 -0.001 0.000 1.119 1342 W HN 0.499 nan 8.180 nan 0.000 0.542 1343 G N 0.468 109.316 108.800 0.081 0.000 2.402 1343 G HA2 -0.203 3.757 3.960 0.000 0.000 0.216 1343 G HA3 -0.203 3.757 3.960 0.000 0.000 0.216 1343 G C 1.673 176.373 174.900 -0.333 0.000 1.162 1343 G CA 1.395 46.547 45.100 0.085 0.000 0.777 1343 G HN 0.294 nan 8.290 nan 0.000 0.539 1344 A N 1.364 123.706 122.820 -0.796 0.000 1.883 1344 A HA 0.195 4.515 4.320 0.000 0.000 0.217 1344 A C 2.813 180.044 177.584 -0.588 0.000 1.186 1344 A CA 2.397 53.738 52.037 -1.161 0.000 0.624 1344 A CB -0.875 17.405 19.000 -1.199 0.000 0.822 1344 A HN 0.838 nan 8.150 nan 0.000 0.444 1345 A N -0.505 122.007 122.820 -0.514 0.000 2.019 1345 A HA -0.157 4.163 4.320 0.000 0.000 0.219 1345 A C 1.898 179.229 177.584 -0.422 0.000 1.164 1345 A CA 1.659 53.415 52.037 -0.468 0.000 0.644 1345 A CB -0.456 18.186 19.000 -0.597 0.000 0.805 1345 A HN 0.674 nan 8.150 nan 0.000 0.449 1346 E N -0.231 119.729 120.200 -0.400 0.000 2.047 1346 E HA -0.166 4.184 4.350 0.000 0.000 0.191 1346 E C 1.460 177.993 176.600 -0.112 0.000 0.987 1346 E CA 1.135 57.389 56.400 -0.242 0.000 0.799 1346 E CB -0.174 29.453 29.700 -0.122 0.000 0.752 1346 E HN 0.515 nan 8.360 nan 0.000 0.449 1347 D N 0.266 120.628 120.400 -0.062 0.000 2.117 1347 D HA -0.136 4.504 4.640 0.000 0.000 0.197 1347 D C 2.034 178.315 176.300 -0.031 0.000 0.987 1347 D CA 0.734 54.754 54.000 0.034 0.000 0.829 1347 D CB -0.285 40.632 40.800 0.195 0.000 0.961 1347 D HN -0.015 nan 8.370 nan 0.000 0.460 1348 V N 1.159 121.005 119.914 -0.115 0.000 2.287 1348 V HA -0.261 3.859 4.120 0.000 0.000 0.248 1348 V C 2.414 178.434 176.094 -0.124 0.000 1.053 1348 V CA 1.971 64.203 62.300 -0.113 0.000 1.027 1348 V CB -0.805 30.922 31.823 -0.160 0.000 0.646 1348 V HN 0.231 nan 8.190 nan 0.000 0.447 1349 A N -0.783 121.943 122.820 -0.156 0.000 2.066 1349 A HA -0.197 4.123 4.320 0.000 0.000 0.218 1349 A C 2.127 179.664 177.584 -0.079 0.000 1.157 1349 A CA 1.624 53.566 52.037 -0.158 0.000 0.670 1349 A CB -0.400 18.505 19.000 -0.159 0.000 0.804 1349 A HN 0.532 nan 8.150 nan 0.000 0.453 1350 Q N 0.138 119.915 119.800 -0.039 0.000 2.123 1350 Q HA 0.006 4.346 4.340 0.000 0.000 0.199 1350 Q C 1.741 177.757 176.000 0.026 0.000 0.966 1350 Q CA 1.467 57.275 55.803 0.008 0.000 0.845 1350 Q CB -0.521 28.233 28.738 0.026 0.000 0.907 1350 Q HN 0.640 nan 8.270 nan 0.000 0.439 1351 L N -0.915 120.318 121.223 0.017 0.000 2.056 1351 L HA -0.140 4.200 4.340 0.000 0.000 0.207 1351 L C 2.268 179.173 176.870 0.058 0.000 1.078 1351 L CA 0.853 55.721 54.840 0.046 0.000 0.749 1351 L CB -0.522 41.562 42.059 0.041 0.000 0.901 1351 L HN 0.086 nan 8.230 nan 0.000 0.433 1352 V N -0.220 119.685 119.914 -0.015 0.000 2.287 1352 V HA -0.316 3.804 4.120 0.000 0.000 0.248 1352 V C 2.163 178.303 176.094 0.077 0.000 1.053 1352 V CA 1.965 64.240 62.300 -0.042 0.000 1.027 1352 V CB -0.502 31.113 31.823 -0.347 0.000 0.646 1352 V HN 0.425 nan 8.190 nan 0.000 0.447 1353 D N -0.489 119.950 120.400 0.064 0.000 2.104 1353 D HA -0.180 4.460 4.640 0.000 0.000 0.194 1353 D C 2.233 178.642 176.300 0.183 0.000 0.994 1353 D CA 1.358 55.453 54.000 0.158 0.000 0.830 1353 D CB -0.192 40.673 40.800 0.108 0.000 0.959 1353 D HN 0.363 nan 8.370 nan 0.000 0.452 1354 E N 0.634 120.913 120.200 0.132 0.000 2.049 1354 E HA -0.134 4.216 4.350 0.000 0.000 0.198 1354 E C 1.921 178.602 176.600 0.135 0.000 1.007 1354 E CA 1.588 58.052 56.400 0.107 0.000 0.809 1354 E CB -0.567 29.185 29.700 0.087 0.000 0.749 1354 E HN 0.194 nan 8.360 nan 0.000 0.450 1355 A N -0.741 122.221 122.820 0.237 0.000 1.930 1355 A HA -0.122 4.198 4.320 0.000 0.000 0.217 1355 A C 2.188 180.037 177.584 0.442 0.000 1.175 1355 A CA 1.260 53.522 52.037 0.375 0.000 0.627 1355 A CB -0.805 18.471 19.000 0.459 0.000 0.815 1355 A HN 0.307 nan 8.150 nan 0.000 0.443 1356 F N 0.253 120.341 119.950 0.230 0.000 2.206 1356 F HA -0.132 4.395 4.527 0.000 0.000 0.298 1356 F C 2.728 178.615 175.800 0.145 0.000 1.090 1356 F CA 1.541 59.691 58.000 0.250 0.000 1.323 1356 F CB -0.134 38.987 39.000 0.202 0.000 1.028 1356 F HN 0.215 nan 8.300 nan 0.000 0.492 1357 Q N 0.212 120.154 119.800 0.237 0.000 2.084 1357 Q HA -0.151 4.189 4.340 0.000 0.000 0.202 1357 Q C 2.339 178.315 176.000 -0.040 0.000 0.978 1357 Q CA 1.389 57.245 55.803 0.090 0.000 0.844 1357 Q CB -0.441 28.330 28.738 0.055 0.000 0.898 1357 Q HN 0.445 nan 8.270 nan 0.000 0.426 1358 R N -0.632 119.758 120.500 -0.183 0.000 2.052 1358 R HA -0.048 4.292 4.340 0.000 0.000 0.224 1358 R C 2.250 178.259 176.300 -0.486 0.000 1.165 1358 R CA 1.372 57.171 56.100 -0.501 0.000 0.939 1358 R CB -0.440 29.234 30.300 -1.043 0.000 0.834 1358 R HN 0.310 nan 8.270 nan 0.000 0.435 1359 Y N 0.146 120.426 120.300 -0.034 0.000 2.226 1359 Y HA 0.067 4.617 4.550 0.000 0.000 0.281 1359 Y C 1.692 177.440 175.900 -0.254 0.000 1.107 1359 Y CA 0.326 58.293 58.100 -0.222 0.000 1.109 1359 Y CB -0.637 37.543 38.460 -0.467 0.000 1.047 1359 Y HN 0.107 nan 8.280 nan 0.000 0.494 1360 H N 1.529 120.549 119.070 -0.083 0.000 4.635 1360 H HA 0.318 4.874 4.556 0.000 0.000 0.197 1360 H C 0.646 175.881 175.328 -0.155 0.000 1.041 1360 H CA 0.746 56.622 56.048 -0.287 0.000 1.280 1360 H CB -1.253 27.968 29.762 -0.901 0.000 1.415 1360 H HN 0.592 nan 8.280 nan 0.000 0.875 1361 G N 0.000 108.815 108.800 0.026 0.000 5.446 1361 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 1361 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 1361 G CA 0.000 45.135 45.100 0.058 0.000 0.502 1361 G HN 0.000 nan 8.290 nan 0.000 0.925