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 1c0l_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 0.000 176.842 176.870 -0.047 0.000 1.165 999 L CA 0.000 54.852 54.840 0.020 0.000 0.813 999 L CB 0.000 42.065 42.059 0.009 0.000 0.961 1000 M N 0.883 120.408 119.600 -0.125 0.000 2.342 1000 M HA 0.464 4.944 4.480 0.000 0.000 0.332 1000 M C 0.533 176.496 176.300 -0.562 0.000 1.166 1000 M CA -0.241 54.864 55.300 -0.325 0.000 1.086 1000 M CB 1.784 34.177 32.600 -0.346 0.000 1.541 1000 M HN 0.417 nan 8.290 nan 0.000 0.462 1001 M N 3.575 122.955 119.600 -0.367 0.000 2.193 1001 M HA 0.160 4.640 4.480 0.000 0.000 0.342 1001 M C -1.073 175.045 176.300 -0.304 0.000 1.413 1001 M CA -0.051 55.092 55.300 -0.263 0.000 1.191 1001 M CB 0.050 32.576 32.600 -0.122 0.000 1.633 1001 M HN 0.524 nan 8.290 nan 0.000 0.458 1002 H N 2.374 121.446 119.070 0.005 0.000 2.481 1002 H HA 0.184 4.740 4.556 0.000 0.000 0.339 1002 H C -0.057 175.277 175.328 0.010 0.000 1.131 1002 H CA -0.364 55.687 56.048 0.006 0.000 1.301 1002 H CB 1.597 31.366 29.762 0.011 0.000 1.476 1002 H HN 0.707 nan 8.280 nan 0.000 0.529 1003 S N 0.920 116.702 115.700 0.138 0.000 2.560 1003 S HA -0.049 4.421 4.470 0.000 0.000 0.284 1003 S C 0.773 175.435 174.600 0.103 0.000 1.327 1003 S CA -0.073 58.174 58.200 0.078 0.000 1.055 1003 S CB 0.374 63.606 63.200 0.053 0.000 0.868 1003 S HN 0.641 nan 8.310 nan 0.000 0.506 1004 Q N 2.268 122.124 119.800 0.095 0.000 2.172 1004 Q HA 0.251 4.591 4.340 0.000 0.000 0.217 1004 Q C -0.393 175.761 176.000 0.256 0.000 0.832 1004 Q CA 0.068 55.965 55.803 0.157 0.000 1.010 1004 Q CB 0.535 29.358 28.738 0.142 0.000 1.133 1004 Q HN 0.572 nan 8.270 nan 0.000 0.489 1005 K N 0.801 121.291 120.400 0.149 0.000 3.122 1005 K HA 0.297 4.617 4.320 0.000 0.000 0.193 1005 K C -0.720 176.011 176.600 0.218 0.000 1.141 1005 K CA -0.195 56.158 56.287 0.111 0.000 0.975 1005 K CB 0.935 33.232 32.500 -0.338 0.000 1.173 1005 K HN -0.090 nan 8.250 nan 0.000 0.546 1006 R N 1.491 122.164 120.500 0.289 0.000 2.265 1006 R HA 0.307 4.647 4.340 0.000 0.000 0.314 1006 R C -0.174 176.254 176.300 0.213 0.000 1.053 1006 R CA -0.494 55.723 56.100 0.194 0.000 0.931 1006 R CB 1.150 31.528 30.300 0.131 0.000 1.024 1006 R HN 0.116 nan 8.270 nan 0.000 0.457 1007 V N 0.043 120.019 119.914 0.103 0.000 2.841 1007 V HA 0.586 4.706 4.120 0.000 0.000 0.310 1007 V C -0.506 175.569 176.094 -0.031 0.000 1.090 1007 V CA -0.937 61.375 62.300 0.020 0.000 0.930 1007 V CB 2.172 33.932 31.823 -0.106 0.000 1.014 1007 V HN 0.355 nan 8.190 nan 0.000 0.425 1008 V N 4.158 124.025 119.914 -0.078 0.000 2.435 1008 V HA 0.549 4.669 4.120 0.000 0.000 0.290 1008 V C -0.124 175.867 176.094 -0.172 0.000 1.030 1008 V CA -0.451 61.782 62.300 -0.111 0.000 0.881 1008 V CB 1.874 33.618 31.823 -0.131 0.000 0.983 1008 V HN 0.812 nan 8.190 nan 0.000 0.445 1009 V N 6.190 125.992 119.914 -0.187 0.000 2.347 1009 V HA 0.356 4.476 4.120 0.000 0.000 0.280 1009 V C -0.282 175.704 176.094 -0.180 0.000 1.021 1009 V CA -0.539 61.650 62.300 -0.185 0.000 0.847 1009 V CB 1.494 33.202 31.823 -0.191 0.000 0.990 1009 V HN 0.639 nan 8.190 nan 0.000 0.444 1010 L N 5.775 126.907 121.223 -0.151 0.000 2.282 1010 L HA 0.842 5.182 4.340 0.000 0.000 0.287 1010 L C 0.393 177.217 176.870 -0.075 0.000 1.075 1010 L CA 0.788 55.552 54.840 -0.126 0.000 0.839 1010 L CB 0.216 42.195 42.059 -0.133 0.000 1.219 1010 L HN 0.918 nan 8.230 nan 0.000 0.434 1011 G N 2.603 111.362 108.800 -0.068 0.000 2.764 1011 G HA2 0.052 4.012 3.960 0.000 0.000 0.678 1011 G HA3 0.052 4.012 3.960 0.000 0.000 0.678 1011 G C -0.400 174.497 174.900 -0.006 0.000 1.341 1011 G CA -0.262 44.826 45.100 -0.020 0.000 0.836 1011 G HN 0.637 nan 8.290 nan 0.000 0.632 1012 S N 0.710 116.429 115.700 0.032 0.000 2.941 1012 S HA 0.562 5.032 4.470 0.000 0.000 0.251 1012 S C 1.238 175.957 174.600 0.199 0.000 1.029 1012 S CA 0.972 59.227 58.200 0.092 0.000 1.062 1012 S CB -0.597 62.664 63.200 0.102 0.000 0.977 1012 S HN 1.757 nan 8.310 nan 0.000 0.552 1013 G N 0.315 109.255 108.800 0.234 0.000 2.553 1013 G HA2 0.329 4.290 3.960 0.000 0.000 0.278 1013 G HA3 0.329 4.290 3.960 0.000 0.000 0.278 1013 G C 1.129 176.083 174.900 0.089 0.000 1.349 1013 G CA -0.006 45.267 45.100 0.288 0.000 1.037 1013 G HN 0.332 nan 8.290 nan 0.000 0.508 1014 V N -0.126 119.756 119.914 -0.053 0.000 2.568 1014 V HA -0.127 3.993 4.120 0.000 0.000 0.253 1014 V C 2.471 178.481 176.094 -0.140 0.000 1.072 1014 V CA 1.372 63.575 62.300 -0.162 0.000 1.084 1014 V CB -0.485 30.960 31.823 -0.631 0.000 0.676 1014 V HN 0.525 nan 8.190 nan 0.000 0.469 1015 I N 0.591 121.061 120.570 -0.167 0.000 2.333 1015 I HA -0.011 4.159 4.170 0.000 0.000 0.246 1015 I C 2.661 178.698 176.117 -0.134 0.000 1.106 1015 I CA 1.634 62.797 61.300 -0.228 0.000 1.411 1015 I CB -1.970 35.859 38.000 -0.284 0.000 1.082 1015 I HN 0.396 nan 8.210 nan 0.000 0.420 1016 G N 1.050 109.816 108.800 -0.056 0.000 2.408 1016 G HA2 -0.155 3.805 3.960 0.000 0.000 0.217 1016 G HA3 -0.155 3.805 3.960 0.000 0.000 0.217 1016 G C 1.856 176.712 174.900 -0.072 0.000 1.150 1016 G CA 0.318 45.384 45.100 -0.057 0.000 0.776 1016 G HN 0.276 nan 8.290 nan 0.000 0.542 1017 L N 0.768 121.975 121.223 -0.027 0.000 2.017 1017 L HA -0.083 4.257 4.340 0.000 0.000 0.208 1017 L C 3.217 180.058 176.870 -0.048 0.000 1.073 1017 L CA 1.329 56.163 54.840 -0.010 0.000 0.745 1017 L CB -0.380 41.706 42.059 0.045 0.000 0.894 1017 L HN 0.169 nan 8.230 nan 0.000 0.432 1018 S N -0.659 115.010 115.700 -0.051 0.000 2.368 1018 S HA -0.154 4.316 4.470 0.000 0.000 0.224 1018 S C 2.188 176.652 174.600 -0.226 0.000 1.029 1018 S CA 1.454 59.611 58.200 -0.070 0.000 0.988 1018 S CB -0.167 63.021 63.200 -0.020 0.000 0.838 1018 S HN 0.352 nan 8.310 nan 0.000 0.462 1019 S N 2.138 117.705 115.700 -0.221 0.000 2.359 1019 S HA -0.092 4.378 4.470 0.000 0.000 0.224 1019 S C 2.322 176.793 174.600 -0.215 0.000 1.035 1019 S CA 1.066 59.120 58.200 -0.243 0.000 1.018 1019 S CB -0.667 62.414 63.200 -0.199 0.000 0.876 1019 S HN 0.619 nan 8.310 nan 0.000 0.448 1020 A N 1.305 124.018 122.820 -0.178 0.000 1.940 1020 A HA -0.088 4.232 4.320 0.000 0.000 0.219 1020 A C 2.139 179.638 177.584 -0.142 0.000 1.176 1020 A CA 1.501 53.435 52.037 -0.172 0.000 0.631 1020 A CB -0.683 18.201 19.000 -0.194 0.000 0.814 1020 A HN 0.406 nan 8.150 nan 0.000 0.446 1021 L N -0.198 120.952 121.223 -0.122 0.000 2.072 1021 L HA -0.015 4.325 4.340 0.000 0.000 0.205 1021 L C 2.201 179.022 176.870 -0.081 0.000 1.079 1021 L CA 1.619 56.416 54.840 -0.071 0.000 0.752 1021 L CB -0.434 41.625 42.059 -0.000 0.000 0.906 1021 L HN 0.426 nan 8.230 nan 0.000 0.436 1022 I N -1.127 119.326 120.570 -0.195 0.000 2.315 1022 I HA -0.298 3.872 4.170 0.000 0.000 0.248 1022 I C 2.314 178.375 176.117 -0.093 0.000 1.117 1022 I CA 1.045 62.229 61.300 -0.193 0.000 1.404 1022 I CB -0.239 37.527 38.000 -0.390 0.000 1.071 1022 I HN 0.265 nan 8.210 nan 0.000 0.419 1023 L N 0.446 121.604 121.223 -0.109 0.000 2.056 1023 L HA -0.178 4.162 4.340 0.000 0.000 0.207 1023 L C 2.868 179.790 176.870 0.086 0.000 1.078 1023 L CA 1.269 56.094 54.840 -0.024 0.000 0.749 1023 L CB -0.694 41.247 42.059 -0.196 0.000 0.901 1023 L HN 0.226 nan 8.230 nan 0.000 0.433 1024 A N 0.195 123.015 122.820 0.000 0.000 1.902 1024 A HA -0.212 4.108 4.320 0.000 0.000 0.217 1024 A C 2.366 179.954 177.584 0.006 0.000 1.181 1024 A CA 1.491 53.530 52.037 0.003 0.000 0.623 1024 A CB -0.481 18.500 19.000 -0.032 0.000 0.818 1024 A HN 0.321 nan 8.150 nan 0.000 0.443 1025 R N -0.286 120.219 120.500 0.008 0.000 2.120 1025 R HA -0.080 4.260 4.340 0.000 0.000 0.234 1025 R C 1.590 177.894 176.300 0.005 0.000 1.123 1025 R CA 1.484 57.593 56.100 0.016 0.000 0.975 1025 R CB -0.214 30.112 30.300 0.044 0.000 0.866 1025 R HN 0.463 nan 8.270 nan 0.000 0.446 1026 K N -0.541 119.870 120.400 0.019 0.000 2.525 1026 K HA 0.053 4.373 4.320 0.000 0.000 0.192 1026 K C 0.788 177.304 176.600 -0.140 0.000 1.029 1026 K CA 0.557 56.834 56.287 -0.016 0.000 1.029 1026 K CB 0.608 33.156 32.500 0.080 0.000 0.814 1026 K HN 0.398 nan 8.250 nan 0.000 0.503 1027 G N 0.571 109.309 108.800 -0.104 0.000 2.157 1027 G HA2 -0.278 3.682 3.960 0.000 0.000 0.239 1027 G HA3 -0.278 3.682 3.960 0.000 0.000 0.239 1027 G C -0.242 174.522 174.900 -0.227 0.000 0.982 1027 G CA -0.362 44.639 45.100 -0.165 0.000 0.650 1027 G HN 0.240 nan 8.290 nan 0.000 0.527 1028 Y N 1.055 121.270 120.300 -0.142 0.000 2.379 1028 Y HA 0.483 5.033 4.550 0.000 0.000 0.337 1028 Y C 1.264 177.099 175.900 -0.107 0.000 1.238 1028 Y CA 0.691 58.690 58.100 -0.168 0.000 1.405 1028 Y CB 1.225 39.555 38.460 -0.216 0.000 1.310 1028 Y HN 0.127 nan 8.280 nan 0.000 0.569 1029 S N 2.429 118.181 115.700 0.086 0.000 2.416 1029 S HA 0.466 4.936 4.470 0.000 0.000 0.287 1029 S C -0.993 173.633 174.600 0.043 0.000 1.139 1029 S CA -0.643 57.584 58.200 0.046 0.000 1.058 1029 S CB -0.521 62.704 63.200 0.041 0.000 0.967 1029 S HN 0.420 nan 8.310 nan 0.000 0.495 1030 V N 6.752 126.668 119.914 0.002 0.000 2.459 1030 V HA 0.425 4.545 4.120 0.000 0.000 0.295 1030 V C -0.057 176.013 176.094 -0.040 0.000 1.029 1030 V CA -0.811 61.465 62.300 -0.040 0.000 0.874 1030 V CB 1.567 33.329 31.823 -0.102 0.000 0.985 1030 V HN 0.881 nan 8.190 nan 0.000 0.438 1031 H N 5.189 124.165 119.070 -0.156 0.000 2.505 1031 H HA 0.577 5.133 4.556 0.000 0.000 0.338 1031 H C -1.274 173.920 175.328 -0.224 0.000 1.057 1031 H CA -0.761 55.180 56.048 -0.180 0.000 1.202 1031 H CB 1.647 31.343 29.762 -0.111 0.000 1.466 1031 H HN 0.552 nan 8.280 nan 0.000 0.499 1032 I N 6.837 126.967 120.570 -0.734 0.000 2.312 1032 I HA 0.155 4.325 4.170 0.000 0.000 0.290 1032 I C -0.354 175.419 176.117 -0.572 0.000 1.008 1032 I CA -0.420 60.524 61.300 -0.593 0.000 1.226 1032 I CB 1.291 38.891 38.000 -0.667 0.000 1.371 1032 I HN 0.339 nan 8.210 nan 0.000 0.468 1033 L N 6.872 127.870 121.223 -0.375 0.000 2.272 1033 L HA 0.839 5.179 4.340 0.000 0.000 0.289 1033 L C -0.037 176.750 176.870 -0.138 0.000 1.032 1033 L CA -0.235 54.464 54.840 -0.234 0.000 0.810 1033 L CB 1.388 43.353 42.059 -0.156 0.000 1.205 1033 L HN 0.758 nan 8.230 nan 0.000 0.422 1034 A N 3.282 126.044 122.820 -0.097 0.000 2.605 1034 A HA 0.434 4.754 4.320 0.000 0.000 0.294 1034 A C 0.149 177.677 177.584 -0.094 0.000 1.062 1034 A CA -0.689 51.295 52.037 -0.089 0.000 0.682 1034 A CB 1.617 20.566 19.000 -0.085 0.000 1.278 1034 A HN 0.779 nan 8.150 nan 0.000 0.410 1035 R N 0.240 120.674 120.500 -0.109 0.000 2.075 1035 R HA -0.006 4.334 4.340 0.000 0.000 0.226 1035 R C -0.675 175.514 176.300 -0.186 0.000 1.114 1035 R CA 1.373 57.407 56.100 -0.110 0.000 0.972 1035 R CB 0.094 30.348 30.300 -0.076 0.000 0.869 1035 R HN 0.790 nan 8.270 nan 0.000 0.437 1036 D N 1.124 121.311 120.400 -0.354 0.000 2.256 1036 D HA 0.255 4.895 4.640 0.000 0.000 0.240 1036 D C -0.559 175.368 176.300 -0.623 0.000 1.062 1036 D CA -0.265 53.336 54.000 -0.665 0.000 0.832 1036 D CB 2.181 42.094 40.800 -1.477 0.000 1.135 1036 D HN 0.125 nan 8.370 nan 0.000 0.484 1037 L N 2.181 123.191 121.223 -0.355 0.000 2.313 1037 L HA 0.295 4.635 4.340 0.000 0.000 0.268 1037 L C -1.568 175.290 176.870 -0.020 0.000 1.010 1037 L CA -2.171 52.577 54.840 -0.154 0.000 0.814 1037 L CB 1.843 43.824 42.059 -0.129 0.000 1.304 1037 L HN 0.044 nan 8.230 nan 0.000 0.441 1038 P HA -0.172 nan 4.420 nan 0.000 0.221 1038 P C 0.847 178.172 177.300 0.042 0.000 1.145 1038 P CA 0.914 64.060 63.100 0.077 0.000 0.795 1038 P CB 0.098 31.783 31.700 -0.026 0.000 0.775 1039 E N -0.807 119.379 120.200 -0.023 0.000 2.427 1039 E HA -0.081 4.269 4.350 0.000 0.000 0.196 1039 E C -0.224 176.389 176.600 0.021 0.000 1.028 1039 E CA 0.681 57.069 56.400 -0.020 0.000 0.864 1039 E CB -0.679 28.987 29.700 -0.056 0.000 0.813 1039 E HN 0.241 nan 8.360 nan 0.000 0.514 1040 D N 2.655 123.097 120.400 0.071 0.000 2.688 1040 D HA 0.010 4.650 4.640 0.000 0.000 0.228 1040 D C 1.320 177.708 176.300 0.146 0.000 1.116 1040 D CA 0.010 54.079 54.000 0.115 0.000 1.023 1040 D CB 1.013 41.881 40.800 0.113 0.000 1.100 1040 D HN 0.117 nan 8.370 nan 0.000 0.487 1041 V N -0.562 119.367 119.914 0.024 0.000 3.444 1041 V HA -0.055 4.065 4.120 0.000 0.000 0.271 1041 V C 1.266 177.202 176.094 -0.263 0.000 1.188 1041 V CA 1.120 63.350 62.300 -0.116 0.000 1.168 1041 V CB -0.536 31.240 31.823 -0.079 0.000 0.810 1041 V HN 0.308 nan 8.190 nan 0.000 0.500 1042 S N -1.258 114.403 115.700 -0.066 0.000 2.846 1042 S HA 0.305 4.775 4.470 0.000 0.000 0.249 1042 S C 0.569 175.406 174.600 0.395 0.000 1.028 1042 S CA 0.307 58.547 58.200 0.066 0.000 1.043 1042 S CB -0.004 63.305 63.200 0.181 0.000 0.990 1042 S HN 0.579 nan 8.310 nan 0.000 0.564 1043 S N 1.254 117.161 115.700 0.345 0.000 2.528 1043 S HA 0.263 4.733 4.470 0.000 0.000 0.277 1043 S C 0.721 175.752 174.600 0.718 0.000 1.297 1043 S CA -0.371 58.113 58.200 0.473 0.000 1.052 1043 S CB 0.849 64.310 63.200 0.435 0.000 0.917 1043 S HN 0.545 nan 8.310 nan 0.000 0.492 1044 Q N 2.446 122.570 119.800 0.541 0.000 2.360 1044 Q HA 0.044 4.384 4.340 0.000 0.000 0.202 1044 Q C 1.149 177.374 176.000 0.375 0.000 0.915 1044 Q CA 0.510 56.570 55.803 0.429 0.000 0.943 1044 Q CB 0.178 28.991 28.738 0.126 0.000 1.064 1044 Q HN 0.951 nan 8.270 nan 0.000 0.511 1045 T N -1.721 113.083 114.554 0.417 0.000 3.188 1045 T HA 0.218 4.568 4.350 0.000 0.000 0.250 1045 T C 0.184 175.153 174.700 0.448 0.000 1.077 1045 T CA -0.394 61.911 62.100 0.341 0.000 0.967 1045 T CB -0.465 68.538 68.868 0.226 0.000 1.006 1045 T HN 0.265 nan 8.240 nan 0.000 0.552 1046 F N -2.507 117.587 119.950 0.240 0.000 2.685 1046 F HA 0.820 5.347 4.527 0.000 0.000 0.315 1046 F C 0.822 176.814 175.800 0.320 0.000 1.126 1046 F CA -1.654 56.474 58.000 0.214 0.000 0.950 1046 F CB 0.999 40.091 39.000 0.154 0.000 1.360 1046 F HN -0.168 nan 8.300 nan 0.000 0.469 1047 A N 0.506 123.432 122.820 0.178 0.000 2.063 1047 A HA 0.136 4.456 4.320 0.000 0.000 0.211 1047 A C 1.780 179.381 177.584 0.029 0.000 1.177 1047 A CA 0.969 53.122 52.037 0.193 0.000 0.759 1047 A CB -0.917 18.197 19.000 0.189 0.000 0.857 1047 A HN 0.725 nan 8.150 nan 0.000 0.468 1048 S N 0.908 116.449 115.700 -0.265 0.000 2.400 1048 S HA -0.072 4.398 4.470 0.000 0.000 0.232 1048 S C -0.715 173.720 174.600 -0.275 0.000 1.025 1048 S CA 1.649 59.781 58.200 -0.114 0.000 0.993 1048 S CB -0.860 62.255 63.200 -0.141 0.000 0.808 1048 S HN 0.505 nan 8.310 nan 0.000 0.478 1049 P HA -0.002 nan 4.420 nan 0.000 0.230 1049 P C 0.235 177.062 177.300 -0.789 0.000 1.158 1049 P CA 0.727 63.329 63.100 -0.829 0.000 0.769 1049 P CB -0.189 30.743 31.700 -1.280 0.000 0.807 1050 W N -0.580 120.651 121.300 -0.114 0.000 3.278 1050 W HA 0.449 5.109 4.660 0.000 0.000 0.308 1050 W C 0.978 177.439 176.519 -0.097 0.000 1.253 1050 W CA -0.539 56.754 57.345 -0.087 0.000 1.759 1050 W CB -0.215 29.209 29.460 -0.061 0.000 1.093 1050 W HN -0.178 nan 8.180 nan 0.000 0.648 1051 A N 0.645 123.456 122.820 -0.015 0.000 2.296 1051 A HA 0.520 4.840 4.320 0.000 0.000 0.264 1051 A C 1.704 179.164 177.584 -0.207 0.000 1.097 1051 A CA 0.330 52.295 52.037 -0.120 0.000 0.811 1051 A CB 0.012 18.805 19.000 -0.346 0.000 1.072 1051 A HN 0.288 nan 8.150 nan 0.000 0.495 1052 G N 0.057 108.758 108.800 -0.166 0.000 2.545 1052 G HA2 0.198 4.158 3.960 0.000 0.000 0.217 1052 G HA3 0.198 4.158 3.960 0.000 0.000 0.217 1052 G C 0.707 175.460 174.900 -0.245 0.000 1.218 1052 G CA 1.360 46.374 45.100 -0.143 0.000 0.787 1052 G HN 1.632 nan 8.290 nan 0.000 0.571 1053 A N 0.210 122.825 122.820 -0.341 0.000 2.287 1053 A HA 0.616 4.936 4.320 0.000 0.000 0.317 1053 A C -0.023 177.499 177.584 -0.103 0.000 1.220 1053 A CA -0.476 51.378 52.037 -0.306 0.000 0.835 1053 A CB 0.462 19.037 19.000 -0.710 0.000 1.180 1053 A HN 0.713 nan 8.150 nan 0.000 0.500 1054 N N 0.652 119.381 118.700 0.049 0.000 2.815 1054 N HA 0.570 5.310 4.740 0.000 0.000 0.315 1054 N C -0.942 174.783 175.510 0.358 0.000 1.320 1054 N CA -0.883 52.290 53.050 0.205 0.000 0.846 1054 N CB 1.029 39.591 38.487 0.124 0.000 1.344 1054 N HN 0.601 nan 8.380 nan 0.000 0.593 1055 W N 0.947 122.355 121.300 0.180 0.000 2.282 1055 W HA 0.408 5.068 4.660 0.000 0.000 0.322 1055 W C -1.224 175.228 176.519 -0.112 0.000 1.011 1055 W CA -0.168 57.204 57.345 0.045 0.000 1.392 1055 W CB 0.874 30.418 29.460 0.140 0.000 1.215 1055 W HN 0.386 nan 8.180 nan 0.000 0.394 1056 T N 7.289 121.518 114.554 -0.542 0.000 3.077 1056 T HA 0.218 4.568 4.350 0.000 0.000 0.359 1056 T C -2.637 171.207 174.700 -1.427 0.000 1.108 1056 T CA -1.237 60.397 62.100 -0.776 0.000 1.170 1056 T CB 1.069 69.646 68.868 -0.485 0.000 1.045 1056 T HN 0.013 nan 8.240 nan 0.000 0.505 1057 P HA 0.172 nan 4.420 nan 0.000 0.265 1057 P C -0.228 176.637 177.300 -0.726 0.000 1.187 1057 P CA 0.032 62.517 63.100 -1.024 0.000 0.766 1057 P CB 0.355 31.480 31.700 -0.959 0.000 0.820 1058 F N 0.514 120.419 119.950 -0.075 0.000 2.706 1058 F HA 0.342 4.869 4.527 0.000 0.000 0.313 1058 F C 0.894 176.707 175.800 0.021 0.000 1.096 1058 F CA 0.017 57.997 58.000 -0.033 0.000 1.219 1058 F CB 0.373 39.338 39.000 -0.058 0.000 1.051 1058 F HN 0.144 nan 8.300 nan 0.000 0.568 1059 M N -0.114 119.610 119.600 0.206 0.000 2.619 1059 M HA 0.328 4.808 4.480 0.000 0.000 0.297 1059 M C 0.080 176.469 176.300 0.149 0.000 1.229 1059 M CA -0.923 54.455 55.300 0.130 0.000 0.860 1059 M CB 2.254 34.875 32.600 0.036 0.000 1.741 1059 M HN -0.034 nan 8.290 nan 0.000 0.462 1060 T N -1.255 113.339 114.554 0.067 0.000 2.748 1060 T HA 0.293 4.643 4.350 0.000 0.000 0.304 1060 T C 1.091 175.667 174.700 -0.207 0.000 1.041 1060 T CA -0.561 61.556 62.100 0.027 0.000 1.033 1060 T CB 0.528 69.405 68.868 0.015 0.000 0.995 1060 T HN 0.628 nan 8.240 nan 0.000 0.536 1061 L N 0.325 121.370 121.223 -0.296 0.000 2.046 1061 L HA -0.089 4.251 4.340 0.000 0.000 0.208 1061 L C 3.183 179.895 176.870 -0.264 0.000 1.077 1061 L CA 1.565 56.152 54.840 -0.422 0.000 0.747 1061 L CB -1.137 40.721 42.059 -0.335 0.000 0.896 1061 L HN 0.829 nan 8.230 nan 0.000 0.432 1062 T N -1.149 113.309 114.554 -0.161 0.000 2.821 1062 T HA -0.153 4.197 4.350 0.000 0.000 0.267 1062 T C 1.436 176.064 174.700 -0.120 0.000 1.046 1062 T CA 1.311 63.338 62.100 -0.122 0.000 1.139 1062 T CB -0.167 68.655 68.868 -0.075 0.000 0.871 1062 T HN 0.279 nan 8.240 nan 0.000 0.454 1063 D N 0.900 121.236 120.400 -0.107 0.000 2.149 1063 D HA 0.053 4.693 4.640 0.000 0.000 0.201 1063 D C 1.357 177.582 176.300 -0.125 0.000 0.972 1063 D CA 0.805 54.750 54.000 -0.091 0.000 0.835 1063 D CB -0.120 40.647 40.800 -0.054 0.000 0.966 1063 D HN 0.454 nan 8.370 nan 0.000 0.476 1064 G N 0.672 109.364 108.800 -0.179 0.000 4.332 1064 G HA2 0.247 4.207 3.960 0.000 0.000 0.321 1064 G HA3 0.247 4.207 3.960 0.000 0.000 0.321 1064 G C -1.950 172.743 174.900 -0.344 0.000 1.439 1064 G CA -0.846 44.118 45.100 -0.227 0.000 0.900 1064 G HN -0.073 nan 8.290 nan 0.000 0.515 1065 P HA -0.146 nan 4.420 nan 0.000 0.216 1065 P C 1.692 178.706 177.300 -0.477 0.000 1.153 1065 P CA 0.709 63.585 63.100 -0.374 0.000 0.848 1065 P CB 0.514 32.048 31.700 -0.275 0.000 0.787 1066 R N -0.298 119.855 120.500 -0.578 0.000 2.066 1066 R HA -0.124 4.216 4.340 0.000 0.000 0.232 1066 R C 2.694 178.270 176.300 -1.207 0.000 1.131 1066 R CA 1.483 56.968 56.100 -1.026 0.000 0.955 1066 R CB -0.666 28.886 30.300 -1.247 0.000 0.851 1066 R HN 0.179 nan 8.270 nan 0.000 0.432 1067 Q N 0.312 119.678 119.800 -0.724 0.000 2.061 1067 Q HA -0.159 4.181 4.340 0.000 0.000 0.204 1067 Q C 2.131 178.019 176.000 -0.186 0.000 0.984 1067 Q CA 2.173 57.814 55.803 -0.270 0.000 0.846 1067 Q CB -0.342 28.331 28.738 -0.108 0.000 0.902 1067 Q HN 0.388 nan 8.270 nan 0.000 0.421 1068 A N 0.806 123.386 122.820 -0.399 0.000 1.902 1068 A HA -0.258 4.062 4.320 0.000 0.000 0.217 1068 A C 2.014 179.476 177.584 -0.204 0.000 1.181 1068 A CA 1.764 53.466 52.037 -0.557 0.000 0.623 1068 A CB -0.562 17.625 19.000 -1.355 0.000 0.818 1068 A HN 0.297 nan 8.150 nan 0.000 0.443 1069 K N -1.324 118.915 120.400 -0.269 0.000 2.032 1069 K HA -0.210 4.110 4.320 0.000 0.000 0.209 1069 K C 1.859 178.555 176.600 0.159 0.000 1.048 1069 K CA 1.820 58.052 56.287 -0.091 0.000 0.927 1069 K CB -0.290 32.090 32.500 -0.201 0.000 0.712 1069 K HN 0.642 nan 8.250 nan 0.000 0.441 1070 W N 1.492 122.838 121.300 0.077 0.000 2.363 1070 W HA -0.084 4.576 4.660 0.000 0.000 0.296 1070 W C 1.912 178.534 176.519 0.172 0.000 1.212 1070 W CA 0.792 58.204 57.345 0.112 0.000 1.260 1070 W CB -0.832 28.689 29.460 0.102 0.000 1.131 1070 W HN 0.298 nan 8.180 nan 0.000 0.530 1071 E N 0.095 120.548 120.200 0.422 0.000 2.072 1071 E HA -0.216 4.135 4.350 0.000 0.000 0.191 1071 E C 1.940 178.999 176.600 0.766 0.000 0.985 1071 E CA 1.497 58.201 56.400 0.507 0.000 0.801 1071 E CB -0.296 29.527 29.700 0.204 0.000 0.750 1071 E HN 0.281 nan 8.360 nan 0.000 0.452 1072 E N 0.360 120.929 120.200 0.614 0.000 2.077 1072 E HA -0.215 4.135 4.350 0.000 0.000 0.193 1072 E C 2.076 178.858 176.600 0.303 0.000 0.989 1072 E CA 1.330 58.004 56.400 0.456 0.000 0.800 1072 E CB -0.034 29.887 29.700 0.368 0.000 0.746 1072 E HN 0.075 nan 8.360 nan 0.000 0.452 1073 S N -0.884 115.000 115.700 0.307 0.000 2.368 1073 S HA -0.131 4.339 4.470 0.000 0.000 0.224 1073 S C 1.979 176.719 174.600 0.232 0.000 1.029 1073 S CA 1.799 60.165 58.200 0.277 0.000 0.988 1073 S CB -0.463 62.933 63.200 0.327 0.000 0.838 1073 S HN 0.366 nan 8.310 nan 0.000 0.462 1074 T N 1.187 115.870 114.554 0.215 0.000 2.788 1074 T HA -0.029 4.321 4.350 0.000 0.000 0.268 1074 T C 1.317 175.813 174.700 -0.341 0.000 1.044 1074 T CA 1.343 63.412 62.100 -0.052 0.000 1.139 1074 T CB -0.544 68.239 68.868 -0.140 0.000 0.867 1074 T HN 0.497 nan 8.240 nan 0.000 0.454 1075 F N 1.858 121.584 119.950 -0.373 0.000 2.126 1075 F HA -0.103 4.424 4.527 0.000 0.000 0.299 1075 F C 2.267 177.870 175.800 -0.328 0.000 1.096 1075 F CA 1.357 58.976 58.000 -0.636 0.000 1.255 1075 F CB -0.084 38.311 39.000 -1.009 0.000 0.997 1075 F HN -0.006 nan 8.300 nan 0.000 0.479 1076 K N -0.056 120.361 120.400 0.029 0.000 2.063 1076 K HA -0.260 4.060 4.320 0.000 0.000 0.208 1076 K C 2.066 178.619 176.600 -0.079 0.000 1.048 1076 K CA 1.775 58.076 56.287 0.024 0.000 0.928 1076 K CB -0.218 32.327 32.500 0.075 0.000 0.713 1076 K HN 0.049 nan 8.250 nan 0.000 0.442 1077 K N 0.142 120.449 120.400 -0.155 0.000 2.057 1077 K HA -0.166 4.154 4.320 0.000 0.000 0.207 1077 K C 1.597 178.157 176.600 -0.067 0.000 1.049 1077 K CA 1.414 57.542 56.287 -0.265 0.000 0.931 1077 K CB -0.213 31.911 32.500 -0.627 0.000 0.714 1077 K HN 0.156 nan 8.250 nan 0.000 0.440 1078 W N 0.375 121.472 121.300 -0.337 0.000 2.402 1078 W HA -0.014 4.646 4.660 0.000 0.000 0.286 1078 W C 2.007 178.236 176.519 -0.483 0.000 1.221 1078 W CA 0.327 57.432 57.345 -0.401 0.000 1.257 1078 W CB -0.942 28.212 29.460 -0.510 0.000 1.120 1078 W HN -0.090 nan 8.180 nan 0.000 0.551 1079 V N 0.658 120.399 119.914 -0.287 0.000 2.332 1079 V HA -0.295 3.825 4.120 0.000 0.000 0.248 1079 V C 1.944 177.960 176.094 -0.129 0.000 1.055 1079 V CA 2.137 64.274 62.300 -0.272 0.000 1.038 1079 V CB -0.772 30.991 31.823 -0.100 0.000 0.651 1079 V HN 0.177 nan 8.190 nan 0.000 0.450 1080 E N -0.223 119.924 120.200 -0.089 0.000 2.333 1080 E HA -0.127 4.223 4.350 0.000 0.000 0.198 1080 E C 1.918 178.477 176.600 -0.070 0.000 1.007 1080 E CA 0.817 57.183 56.400 -0.058 0.000 0.845 1080 E CB -0.097 29.567 29.700 -0.061 0.000 0.766 1080 E HN 0.542 nan 8.360 nan 0.000 0.507 1081 L N 0.106 121.266 121.223 -0.106 0.000 2.567 1081 L HA 0.003 4.343 4.340 0.000 0.000 0.225 1081 L C 2.042 178.823 176.870 -0.149 0.000 1.119 1081 L CA -0.133 54.637 54.840 -0.117 0.000 0.871 1081 L CB 0.188 42.165 42.059 -0.135 0.000 1.036 1081 L HN 0.009 nan 8.230 nan 0.000 0.459 1082 V N 0.998 120.807 119.914 -0.174 0.000 2.295 1082 V HA -0.167 3.953 4.120 0.000 0.000 0.246 1082 V C -0.015 176.025 176.094 -0.090 0.000 1.049 1082 V CA 1.983 64.180 62.300 -0.170 0.000 1.024 1082 V CB -1.405 30.324 31.823 -0.157 0.000 0.648 1082 V HN 0.345 nan 8.190 nan 0.000 0.447 1083 P HA -0.142 nan 4.420 nan 0.000 0.217 1083 P C 1.460 178.724 177.300 -0.059 0.000 1.148 1083 P CA 2.059 65.143 63.100 -0.028 0.000 0.828 1083 P CB -0.242 31.454 31.700 -0.008 0.000 0.783 1084 T N -5.957 108.549 114.554 -0.080 0.000 3.122 1084 T HA 0.421 4.771 4.350 0.000 0.000 0.250 1084 T C 1.412 175.930 174.700 -0.302 0.000 1.067 1084 T CA 0.236 62.266 62.100 -0.117 0.000 0.966 1084 T CB -0.522 68.343 68.868 -0.005 0.000 1.002 1084 T HN 0.234 nan 8.240 nan 0.000 0.542 1085 G N 1.669 110.303 108.800 -0.277 0.000 2.162 1085 G HA2 -0.289 3.671 3.960 0.000 0.000 0.260 1085 G HA3 -0.289 3.671 3.960 0.000 0.000 0.260 1085 G C 0.634 175.255 174.900 -0.466 0.000 0.976 1085 G CA 0.380 45.273 45.100 -0.344 0.000 0.655 1085 G HN 0.629 nan 8.290 nan 0.000 0.533 1086 H N -0.039 118.851 119.070 -0.299 0.000 2.551 1086 H HA 0.511 5.067 4.556 0.000 0.000 0.266 1086 H C 1.459 176.572 175.328 -0.358 0.000 0.977 1086 H CA 1.348 57.180 56.048 -0.360 0.000 1.163 1086 H CB 0.494 29.880 29.762 -0.626 0.000 1.381 1086 H HN 0.848 nan 8.280 nan 0.000 0.581 1087 A N 0.875 123.511 122.820 -0.307 0.000 2.498 1087 A HA 0.634 4.954 4.320 0.000 0.000 0.298 1087 A C -0.583 176.776 177.584 -0.375 0.000 1.075 1087 A CA -0.790 50.978 52.037 -0.448 0.000 0.714 1087 A CB 2.396 21.071 19.000 -0.542 0.000 1.299 1087 A HN 0.206 nan 8.150 nan 0.000 0.407 1088 M N 1.050 120.423 119.600 -0.378 0.000 2.446 1088 M HA 0.587 5.067 4.480 0.000 0.000 0.294 1088 M C -2.115 174.042 176.300 -0.238 0.000 1.158 1088 M CA -0.413 54.738 55.300 -0.249 0.000 0.899 1088 M CB 1.402 33.917 32.600 -0.143 0.000 1.687 1088 M HN 0.727 nan 8.290 nan 0.000 0.455 1089 W N 4.299 125.558 121.300 -0.068 0.000 2.216 1089 W HA 0.383 5.043 4.660 0.000 0.000 0.326 1089 W C -0.682 175.830 176.519 -0.012 0.000 1.319 1089 W CA -0.379 56.948 57.345 -0.030 0.000 1.213 1089 W CB 0.599 30.050 29.460 -0.015 0.000 1.171 1089 W HN 0.483 nan 8.180 nan 0.000 0.557 1090 L N 5.431 126.841 121.223 0.311 0.000 2.426 1090 L HA 0.274 4.614 4.340 0.000 0.000 0.255 1090 L C 0.127 177.122 176.870 0.208 0.000 1.080 1090 L CA -0.621 54.335 54.840 0.194 0.000 0.960 1090 L CB -0.274 41.868 42.059 0.138 0.000 1.326 1090 L HN 0.303 nan 8.230 nan 0.000 0.441 1091 K N 1.203 121.697 120.400 0.158 0.000 2.326 1091 K HA 0.344 4.664 4.320 0.000 0.000 0.275 1091 K C 1.092 177.701 176.600 0.016 0.000 1.018 1091 K CA 0.201 56.536 56.287 0.081 0.000 0.962 1091 K CB 0.936 33.446 32.500 0.016 0.000 0.953 1091 K HN 0.637 nan 8.250 nan 0.000 0.475 1092 G N 2.142 110.931 108.800 -0.017 0.000 2.249 1092 G HA2 -0.267 3.693 3.960 0.000 0.000 0.273 1092 G HA3 -0.267 3.693 3.960 0.000 0.000 0.273 1092 G C 0.160 174.979 174.900 -0.136 0.000 1.036 1092 G CA 0.257 45.315 45.100 -0.071 0.000 0.824 1092 G HN 0.589 nan 8.290 nan 0.000 0.504 1093 T N 0.019 114.457 114.554 -0.194 0.000 2.946 1093 T HA 0.338 4.688 4.350 0.000 0.000 0.311 1093 T C 0.923 175.328 174.700 -0.493 0.000 1.063 1093 T CA 0.421 62.327 62.100 -0.324 0.000 1.139 1093 T CB 0.469 69.105 68.868 -0.386 0.000 0.994 1093 T HN 0.485 nan 8.240 nan 0.000 0.547 1094 R N 1.997 122.240 120.500 -0.429 0.000 2.387 1094 R HA 0.487 4.827 4.340 0.000 0.000 0.314 1094 R C -0.064 175.819 176.300 -0.696 0.000 0.958 1094 R CA -0.625 55.140 56.100 -0.559 0.000 0.846 1094 R CB 1.334 31.320 30.300 -0.523 0.000 1.147 1094 R HN 0.439 nan 8.270 nan 0.000 0.447 1095 R N 4.244 124.369 120.500 -0.624 0.000 2.409 1095 R HA 0.362 4.702 4.340 0.000 0.000 0.313 1095 R C -1.314 174.814 176.300 -0.288 0.000 0.953 1095 R CA -0.378 55.504 56.100 -0.363 0.000 0.849 1095 R CB 0.771 31.095 30.300 0.040 0.000 1.171 1095 R HN 0.476 nan 8.270 nan 0.000 0.458 1096 F N 2.993 122.997 119.950 0.091 0.000 2.443 1096 F HA 0.720 5.247 4.527 0.000 0.000 0.335 1096 F C 0.472 176.332 175.800 0.100 0.000 1.104 1096 F CA -0.926 57.127 58.000 0.088 0.000 1.013 1096 F CB 2.216 41.269 39.000 0.088 0.000 1.136 1096 F HN 0.553 nan 8.300 nan 0.000 0.470 1097 A N 2.304 125.296 122.820 0.286 0.000 2.485 1097 A HA 0.438 4.758 4.320 0.000 0.000 0.292 1097 A C 0.129 177.799 177.584 0.143 0.000 1.147 1097 A CA -0.735 51.413 52.037 0.185 0.000 0.750 1097 A CB 1.664 20.750 19.000 0.144 0.000 1.331 1097 A HN 0.836 nan 8.150 nan 0.000 0.419 1098 Q N -0.185 119.679 119.800 0.107 0.000 2.230 1098 Q HA -0.006 4.335 4.340 0.000 0.000 0.202 1098 Q C -0.102 175.939 176.000 0.068 0.000 0.963 1098 Q CA 1.516 57.366 55.803 0.078 0.000 0.866 1098 Q CB -0.129 28.646 28.738 0.063 0.000 0.931 1098 Q HN 0.814 nan 8.270 nan 0.000 0.452 1099 N N -2.260 116.484 118.700 0.073 0.000 3.116 1099 N HA -0.005 4.736 4.740 0.000 0.000 0.244 1099 N C -0.191 175.362 175.510 0.071 0.000 1.485 1099 N CA -0.514 52.575 53.050 0.066 0.000 0.884 1099 N CB 0.451 38.969 38.487 0.051 0.000 1.415 1099 N HN -0.221 nan 8.380 nan 0.000 0.524 1100 E N -0.200 120.044 120.200 0.073 0.000 2.114 1100 E HA -0.223 4.127 4.350 0.000 0.000 0.199 1100 E C 0.477 177.105 176.600 0.048 0.000 1.008 1100 E CA 1.992 58.441 56.400 0.081 0.000 0.810 1100 E CB -0.355 29.401 29.700 0.095 0.000 0.739 1100 E HN 0.600 nan 8.360 nan 0.000 0.456 1101 D N -0.952 119.475 120.400 0.045 0.000 2.178 1101 D HA -0.075 4.565 4.640 0.000 0.000 0.201 1101 D C 1.690 178.009 176.300 0.031 0.000 0.980 1101 D CA 1.375 55.395 54.000 0.034 0.000 0.842 1101 D CB -0.650 40.171 40.800 0.035 0.000 0.948 1101 D HN 0.381 nan 8.370 nan 0.000 0.472 1102 G N -0.132 108.694 108.800 0.043 0.000 2.625 1102 G HA2 -0.106 3.854 3.960 0.000 0.000 0.214 1102 G HA3 -0.106 3.854 3.960 0.000 0.000 0.214 1102 G C 1.311 176.244 174.900 0.054 0.000 1.132 1102 G CA 0.016 45.151 45.100 0.058 0.000 0.782 1102 G HN 0.284 nan 8.290 nan 0.000 0.538 1103 L N -0.146 121.071 121.223 -0.010 0.000 2.607 1103 L HA 0.352 4.692 4.340 0.000 0.000 0.228 1103 L C 0.781 177.550 176.870 -0.168 0.000 1.123 1103 L CA -0.201 54.575 54.840 -0.107 0.000 0.890 1103 L CB -0.044 41.855 42.059 -0.267 0.000 1.103 1103 L HN 0.111 nan 8.230 nan 0.000 0.468 1104 L N 0.562 121.764 121.223 -0.035 0.000 3.843 1104 L HA -0.283 4.057 4.340 0.000 0.000 0.411 1104 L C 1.126 178.039 176.870 0.072 0.000 1.205 1104 L CA 0.335 55.219 54.840 0.075 0.000 0.945 1104 L CB -2.493 39.694 42.059 0.214 0.000 1.929 1104 L HN 0.557 nan 8.230 nan 0.000 0.934 1105 G N -1.059 107.715 108.800 -0.043 0.000 2.155 1105 G HA2 -0.346 3.614 3.960 0.000 0.000 0.257 1105 G HA3 -0.346 3.614 3.960 0.000 0.000 0.257 1105 G C 0.375 175.321 174.900 0.076 0.000 0.983 1105 G CA 0.742 45.879 45.100 0.063 0.000 0.676 1105 G HN 1.002 nan 8.290 nan 0.000 0.528 1106 H N -2.395 116.623 119.070 -0.087 0.000 2.822 1106 H HA -0.226 4.330 4.556 0.000 0.000 0.295 1106 H C 1.645 176.641 175.328 -0.554 0.000 1.151 1106 H CA 1.849 57.649 56.048 -0.414 0.000 1.151 1106 H CB -1.899 27.687 29.762 -0.294 0.000 1.343 1106 H HN 0.993 nan 8.280 nan 0.000 0.382 1107 W N 0.641 121.796 121.300 -0.242 0.000 2.364 1107 W HA -0.247 4.413 4.660 0.000 0.000 0.281 1107 W C 1.033 177.451 176.519 -0.169 0.000 1.219 1107 W CA 1.310 58.569 57.345 -0.142 0.000 1.220 1107 W CB -0.963 28.480 29.460 -0.029 0.000 1.127 1107 W HN 0.552 nan 8.180 nan 0.000 0.556 1108 Y N 1.844 121.567 120.300 -0.960 0.000 2.493 1108 Y HA 0.317 4.868 4.550 0.000 0.000 0.275 1108 Y C 2.080 177.569 175.900 -0.686 0.000 1.183 1108 Y CA 0.091 57.592 58.100 -0.998 0.000 1.258 1108 Y CB -1.054 36.553 38.460 -1.421 0.000 1.108 1108 Y HN 0.003 nan 8.280 nan 0.000 0.521 1109 K N -0.458 119.348 120.400 -0.989 0.000 2.442 1109 K HA -0.117 4.203 4.320 0.000 0.000 0.198 1109 K C 0.063 176.409 176.600 -0.424 0.000 1.042 1109 K CA 1.518 57.168 56.287 -1.061 0.000 0.958 1109 K CB -0.088 31.668 32.500 -1.240 0.000 0.766 1109 K HN 0.210 nan 8.250 nan 0.000 0.474 1110 D N 0.603 120.835 120.400 -0.281 0.000 2.350 1110 D HA 0.124 4.764 4.640 0.000 0.000 0.213 1110 D C 1.572 177.777 176.300 -0.158 0.000 1.031 1110 D CA 0.397 54.306 54.000 -0.151 0.000 0.861 1110 D CB 0.224 40.975 40.800 -0.080 0.000 0.926 1110 D HN 0.312 nan 8.370 nan 0.000 0.520 1111 I N 0.261 120.674 120.570 -0.260 0.000 2.685 1111 I HA -0.057 4.113 4.170 0.000 0.000 0.251 1111 I C 0.767 176.511 176.117 -0.621 0.000 1.102 1111 I CA 0.500 61.521 61.300 -0.464 0.000 1.442 1111 I CB 0.015 37.634 38.000 -0.635 0.000 1.194 1111 I HN -0.110 nan 8.210 nan 0.000 0.448 1112 T N 1.085 115.351 114.554 -0.480 0.000 2.752 1112 T HA 0.278 4.628 4.350 0.000 0.000 0.295 1112 T C -2.442 172.322 174.700 0.106 0.000 0.923 1112 T CA -1.681 60.337 62.100 -0.137 0.000 1.112 1112 T CB 0.234 69.141 68.868 0.066 0.000 0.884 1112 T HN -0.141 nan 8.240 nan 0.000 0.525 1113 P HA 0.112 nan 4.420 nan 0.000 0.268 1113 P C 0.340 177.719 177.300 0.131 0.000 1.208 1113 P CA -0.021 63.136 63.100 0.094 0.000 0.777 1113 P CB 0.219 31.913 31.700 -0.010 0.000 0.875 1114 N N -1.299 117.453 118.700 0.086 0.000 2.735 1114 N HA -0.258 4.482 4.740 0.000 0.000 0.248 1114 N C -0.589 175.012 175.510 0.151 0.000 1.083 1114 N CA 0.683 53.782 53.050 0.082 0.000 0.703 1114 N CB -2.012 36.493 38.487 0.030 0.000 1.005 1114 N HN 0.540 nan 8.380 nan 0.000 0.550 1115 Y N 1.807 122.145 120.300 0.064 0.000 2.442 1115 Y HA 0.149 4.699 4.550 0.000 0.000 0.330 1115 Y C 1.106 177.033 175.900 0.045 0.000 1.129 1115 Y CA 0.142 58.297 58.100 0.091 0.000 1.365 1115 Y CB 0.546 39.003 38.460 -0.005 0.000 1.233 1115 Y HN 0.248 nan 8.280 nan 0.000 0.529 1116 R N 6.526 126.930 120.500 -0.161 0.000 2.664 1116 R HA 0.468 4.808 4.340 0.000 0.000 0.266 1116 R C -3.516 172.698 176.300 -0.144 0.000 1.046 1116 R CA -2.060 54.000 56.100 -0.068 0.000 0.885 1116 R CB 1.499 31.792 30.300 -0.011 0.000 1.254 1116 R HN 0.312 nan 8.270 nan 0.000 0.465 1117 P HA 0.128 nan 4.420 nan 0.000 0.272 1117 P C -0.576 176.721 177.300 -0.004 0.000 1.223 1117 P CA -0.299 62.791 63.100 -0.015 0.000 0.784 1117 P CB 0.820 32.531 31.700 0.019 0.000 0.923 1118 L N 3.260 124.502 121.223 0.032 0.000 2.322 1118 L HA 0.426 4.766 4.340 0.000 0.000 0.279 1118 L C -1.974 174.934 176.870 0.063 0.000 1.036 1118 L CA -2.355 52.518 54.840 0.055 0.000 0.807 1118 L CB 1.135 43.261 42.059 0.112 0.000 1.226 1118 L HN 0.220 nan 8.230 nan 0.000 0.433 1119 P HA 0.064 nan 4.420 nan 0.000 0.267 1119 P C 0.326 177.649 177.300 0.038 0.000 1.200 1119 P CA -0.126 62.996 63.100 0.036 0.000 0.772 1119 P CB 0.651 32.367 31.700 0.025 0.000 0.855 1120 S N 0.753 116.466 115.700 0.023 0.000 2.419 1120 S HA -0.183 4.287 4.470 0.000 0.000 0.235 1120 S C 1.799 176.392 174.600 -0.013 0.000 1.019 1120 S CA 1.503 59.706 58.200 0.005 0.000 0.982 1120 S CB -0.982 62.218 63.200 0.001 0.000 0.789 1120 S HN 0.691 nan 8.310 nan 0.000 0.490 1121 S N 1.755 117.454 115.700 -0.002 0.000 2.447 1121 S HA -0.050 4.420 4.470 0.000 0.000 0.233 1121 S C 1.159 175.756 174.600 -0.006 0.000 1.006 1121 S CA 0.700 58.895 58.200 -0.008 0.000 0.957 1121 S CB -0.320 62.880 63.200 0.001 0.000 0.773 1121 S HN 0.616 nan 8.310 nan 0.000 0.507 1122 E N -0.032 120.179 120.200 0.017 0.000 2.499 1122 E HA 0.284 4.634 4.350 0.000 0.000 0.199 1122 E C -0.735 175.898 176.600 0.056 0.000 1.016 1122 E CA -0.429 56.003 56.400 0.054 0.000 0.933 1122 E CB 0.488 30.241 29.700 0.089 0.000 1.050 1122 E HN 0.470 nan 8.360 nan 0.000 0.462 1123 C N 0.874 120.110 119.300 -0.106 0.000 2.667 1123 C HA 0.475 4.935 4.460 0.000 0.000 0.323 1123 C C -2.288 172.403 174.990 -0.498 0.000 1.214 1123 C CA -1.970 56.774 59.018 -0.456 0.000 1.721 1123 C CB 1.328 28.933 27.740 -0.225 0.000 2.275 1123 C HN 0.164 nan 8.230 nan 0.000 0.491 1124 P HA 0.175 nan 4.420 nan 0.000 0.268 1124 P C -2.600 174.568 177.300 -0.220 0.000 1.208 1124 P CA -0.589 62.286 63.100 -0.375 0.000 0.777 1124 P CB -0.379 31.117 31.700 -0.341 0.000 0.875 1125 P HA -0.002 nan 4.420 nan 0.000 0.260 1125 P C 1.040 178.298 177.300 -0.070 0.000 1.172 1125 P CA 1.580 64.626 63.100 -0.089 0.000 0.760 1125 P CB -0.184 31.474 31.700 -0.069 0.000 0.773 1126 G N 1.988 110.757 108.800 -0.051 0.000 2.184 1126 G HA2 -0.190 3.770 3.960 0.000 0.000 0.264 1126 G HA3 -0.190 3.770 3.960 0.000 0.000 0.264 1126 G C 0.437 175.325 174.900 -0.020 0.000 0.975 1126 G CA 0.111 45.195 45.100 -0.028 0.000 0.642 1126 G HN 0.866 nan 8.290 nan 0.000 0.536 1127 A N -0.623 122.169 122.820 -0.046 0.000 2.269 1127 A HA 0.864 5.184 4.320 0.000 0.000 0.319 1127 A C 0.127 177.723 177.584 0.021 0.000 1.110 1127 A CA -0.100 51.928 52.037 -0.015 0.000 0.847 1127 A CB 1.121 20.084 19.000 -0.062 0.000 1.161 1127 A HN 1.247 nan 8.150 nan 0.000 0.497 1128 I N -0.399 120.227 120.570 0.092 0.000 2.750 1128 I HA 0.759 4.929 4.170 0.000 0.000 0.308 1128 I C 0.266 176.525 176.117 0.235 0.000 1.016 1128 I CA -0.243 61.135 61.300 0.129 0.000 1.098 1128 I CB 2.075 40.146 38.000 0.118 0.000 1.279 1128 I HN 0.762 nan 8.210 nan 0.000 0.454 1129 G N 4.931 113.874 108.800 0.239 0.000 2.692 1129 G HA2 0.608 4.568 3.960 0.000 0.000 0.291 1129 G HA3 0.608 4.568 3.960 0.000 0.000 0.291 1129 G C -1.612 173.373 174.900 0.142 0.000 1.423 1129 G CA -0.391 44.886 45.100 0.295 0.000 0.843 1129 G HN 0.782 nan 8.290 nan 0.000 0.486 1130 V N -2.423 117.518 119.914 0.044 0.000 3.102 1130 V HA 0.959 5.079 4.120 0.000 0.000 0.312 1130 V C -0.424 175.555 176.094 -0.191 0.000 1.135 1130 V CA -0.668 61.579 62.300 -0.087 0.000 1.022 1130 V CB 1.550 33.273 31.823 -0.167 0.000 1.056 1130 V HN 1.078 nan 8.190 nan 0.000 0.436 1131 T N 1.657 116.062 114.554 -0.248 0.000 2.906 1131 T HA 0.902 5.252 4.350 0.000 0.000 0.295 1131 T C -1.422 173.166 174.700 -0.187 0.000 1.061 1131 T CA -0.197 61.725 62.100 -0.296 0.000 1.000 1131 T CB 1.522 70.280 68.868 -0.184 0.000 1.103 1131 T HN 1.682 nan 8.240 nan 0.000 0.486 1132 Y N -0.135 120.120 120.300 -0.075 0.000 2.741 1132 Y HA 0.614 5.164 4.550 0.000 0.000 0.339 1132 Y C -1.752 174.217 175.900 0.114 0.000 1.226 1132 Y CA -1.471 56.653 58.100 0.039 0.000 1.072 1132 Y CB 0.329 38.887 38.460 0.163 0.000 1.331 1132 Y HN 0.358 nan 8.280 nan 0.000 0.453 1133 D N 1.315 121.965 120.400 0.417 0.000 2.280 1133 D HA 0.466 5.106 4.640 0.000 0.000 0.236 1133 D C -0.407 176.333 176.300 0.735 0.000 1.082 1133 D CA -0.022 54.231 54.000 0.423 0.000 0.834 1133 D CB 2.053 42.978 40.800 0.209 0.000 1.100 1133 D HN 0.728 nan 8.370 nan 0.000 0.486 1134 T N 1.262 116.229 114.554 0.689 0.000 2.718 1134 T HA 0.768 5.118 4.350 0.000 0.000 0.267 1134 T C -0.821 174.106 174.700 0.377 0.000 0.957 1134 T CA -0.489 62.034 62.100 0.705 0.000 1.025 1134 T CB 0.734 70.047 68.868 0.743 0.000 1.355 1134 T HN 0.202 nan 8.240 nan 0.000 0.572 1135 L N 1.434 122.753 121.223 0.161 0.000 2.354 1135 L HA 0.741 5.081 4.340 0.000 0.000 0.264 1135 L C -0.588 176.309 176.870 0.045 0.000 1.008 1135 L CA -0.903 53.849 54.840 -0.145 0.000 0.819 1135 L CB 2.441 44.161 42.059 -0.565 0.000 1.339 1135 L HN 0.812 nan 8.230 nan 0.000 0.420 1136 S N 0.574 116.175 115.700 -0.165 0.000 2.569 1136 S HA 0.888 5.358 4.470 0.000 0.000 0.280 1136 S C -0.854 173.424 174.600 -0.537 0.000 1.111 1136 S CA -0.706 57.351 58.200 -0.238 0.000 0.887 1136 S CB 2.049 65.169 63.200 -0.134 0.000 1.095 1136 S HN 0.576 nan 8.310 nan 0.000 0.476 1137 V N -0.641 118.858 119.914 -0.691 0.000 3.001 1137 V HA 0.611 4.731 4.120 0.000 0.000 0.314 1137 V C -0.471 175.398 176.094 -0.374 0.000 1.099 1137 V CA -0.864 61.031 62.300 -0.675 0.000 0.989 1137 V CB 1.640 32.774 31.823 -1.148 0.000 1.040 1137 V HN 1.126 nan 8.190 nan 0.000 0.434 1138 H N 2.397 121.301 119.070 -0.276 0.000 3.004 1138 H HA 0.519 5.075 4.556 0.000 0.000 0.267 1138 H C 1.023 176.273 175.328 -0.130 0.000 1.165 1138 H CA 0.510 56.453 56.048 -0.176 0.000 1.450 1138 H CB 1.264 30.959 29.762 -0.111 0.000 1.488 1138 H HN 1.022 nan 8.280 nan 0.000 0.478 1139 A N 8.238 130.930 122.820 -0.213 0.000 1.849 1139 A HA -0.124 4.196 4.320 0.000 0.000 0.217 1139 A C -0.423 177.253 177.584 0.153 0.000 1.202 1139 A CA 1.319 53.234 52.037 -0.203 0.000 0.629 1139 A CB -1.319 17.378 19.000 -0.506 0.000 0.834 1139 A HN 0.600 nan 8.150 nan 0.000 0.447 1140 P HA -0.135 nan 4.420 nan 0.000 0.217 1140 P C 1.047 178.453 177.300 0.176 0.000 1.150 1140 P CA 1.556 64.724 63.100 0.114 0.000 0.832 1140 P CB -0.160 31.558 31.700 0.030 0.000 0.787 1141 K N -1.450 119.087 120.400 0.228 0.000 2.148 1141 K HA -0.156 4.164 4.320 0.000 0.000 0.204 1141 K C 2.326 179.041 176.600 0.192 0.000 1.050 1141 K CA 0.972 57.302 56.287 0.072 0.000 0.942 1141 K CB -0.580 31.794 32.500 -0.210 0.000 0.724 1141 K HN 0.100 nan 8.250 nan 0.000 0.446 1142 Y N 0.937 121.323 120.300 0.143 0.000 2.181 1142 Y HA -0.296 4.254 4.550 0.000 0.000 0.288 1142 Y C 2.163 178.203 175.900 0.233 0.000 1.146 1142 Y CA 1.176 59.386 58.100 0.183 0.000 1.164 1142 Y CB -0.316 38.241 38.460 0.162 0.000 0.982 1142 Y HN 0.030 nan 8.280 nan 0.000 0.515 1143 C N 0.284 119.746 119.300 0.271 0.000 2.440 1143 C HA -0.184 4.277 4.460 0.000 0.000 0.278 1143 C C 2.573 177.582 174.990 0.033 0.000 1.295 1143 C CA 1.347 60.446 59.018 0.135 0.000 1.738 1143 C CB -1.125 26.732 27.740 0.195 0.000 1.987 1143 C HN 0.616 nan 8.230 nan 0.000 0.492 1144 Q N -0.893 118.936 119.800 0.048 0.000 2.167 1144 Q HA -0.198 4.142 4.340 0.000 0.000 0.202 1144 Q C 1.978 177.962 176.000 -0.028 0.000 0.970 1144 Q CA 1.615 57.413 55.803 -0.009 0.000 0.855 1144 Q CB -0.313 28.426 28.738 0.002 0.000 0.911 1144 Q HN 0.870 nan 8.270 nan 0.000 0.438 1145 Y N 1.114 121.331 120.300 -0.138 0.000 2.145 1145 Y HA -0.198 4.352 4.550 0.000 0.000 0.286 1145 Y C 1.631 177.385 175.900 -0.243 0.000 1.145 1145 Y CA 1.350 59.306 58.100 -0.240 0.000 1.148 1145 Y CB -0.232 37.981 38.460 -0.411 0.000 0.981 1145 Y HN -0.005 nan 8.280 nan 0.000 0.507 1146 L N -0.006 120.928 121.223 -0.481 0.000 2.083 1146 L HA -0.174 4.166 4.340 0.000 0.000 0.209 1146 L C 2.816 179.544 176.870 -0.236 0.000 1.083 1146 L CA 1.105 55.663 54.840 -0.471 0.000 0.752 1146 L CB -1.057 40.850 42.059 -0.253 0.000 0.899 1146 L HN 0.364 nan 8.230 nan 0.000 0.433 1147 A N 0.158 122.911 122.820 -0.113 0.000 1.933 1147 A HA -0.186 4.134 4.320 0.000 0.000 0.218 1147 A C 2.406 179.969 177.584 -0.035 0.000 1.175 1147 A CA 1.299 53.345 52.037 0.014 0.000 0.628 1147 A CB -0.426 18.468 19.000 -0.177 0.000 0.814 1147 A HN 0.305 nan 8.150 nan 0.000 0.444 1148 R N -0.456 119.965 120.500 -0.132 0.000 2.081 1148 R HA -0.115 4.225 4.340 0.000 0.000 0.235 1148 R C 2.005 178.230 176.300 -0.125 0.000 1.131 1148 R CA 1.374 57.407 56.100 -0.110 0.000 0.960 1148 R CB -0.294 29.946 30.300 -0.100 0.000 0.856 1148 R HN 0.496 nan 8.270 nan 0.000 0.436 1149 E N 0.932 120.979 120.200 -0.256 0.000 2.077 1149 E HA -0.164 4.186 4.350 0.000 0.000 0.193 1149 E C 2.158 178.699 176.600 -0.098 0.000 0.989 1149 E CA 0.953 57.218 56.400 -0.224 0.000 0.800 1149 E CB -0.236 29.232 29.700 -0.387 0.000 0.746 1149 E HN 0.331 nan 8.360 nan 0.000 0.452 1150 L N 0.904 122.095 121.223 -0.055 0.000 2.046 1150 L HA -0.229 4.111 4.340 0.000 0.000 0.208 1150 L C 2.703 179.600 176.870 0.045 0.000 1.077 1150 L CA 1.254 56.097 54.840 0.006 0.000 0.747 1150 L CB -0.335 41.761 42.059 0.061 0.000 0.896 1150 L HN 0.138 nan 8.230 nan 0.000 0.432 1151 Q N -0.056 119.802 119.800 0.097 0.000 2.045 1151 Q HA -0.279 4.061 4.340 0.000 0.000 0.206 1151 Q C 2.239 178.260 176.000 0.035 0.000 0.991 1151 Q CA 1.808 57.666 55.803 0.092 0.000 0.851 1151 Q CB -0.126 28.652 28.738 0.066 0.000 0.911 1151 Q HN 0.474 nan 8.270 nan 0.000 0.418 1152 K N 0.377 120.781 120.400 0.007 0.000 2.147 1152 K HA -0.104 4.216 4.320 0.000 0.000 0.205 1152 K C 1.790 178.389 176.600 -0.001 0.000 1.049 1152 K CA 0.853 57.140 56.287 -0.001 0.000 0.936 1152 K CB -0.066 32.426 32.500 -0.013 0.000 0.722 1152 K HN 0.211 nan 8.250 nan 0.000 0.446 1153 L N 0.011 121.230 121.223 -0.006 0.000 2.627 1153 L HA 0.071 4.411 4.340 0.000 0.000 0.233 1153 L C 1.008 177.874 176.870 -0.007 0.000 1.144 1153 L CA 0.306 55.141 54.840 -0.009 0.000 0.892 1153 L CB -0.135 41.915 42.059 -0.015 0.000 1.039 1153 L HN 0.471 nan 8.230 nan 0.000 0.442 1154 G N -0.136 108.666 108.800 0.003 0.000 2.157 1154 G HA2 -0.263 3.697 3.960 0.000 0.000 0.248 1154 G HA3 -0.263 3.697 3.960 0.000 0.000 0.248 1154 G C 0.407 175.307 174.900 -0.000 0.000 0.979 1154 G CA 0.008 45.112 45.100 0.007 0.000 0.650 1154 G HN 0.497 nan 8.290 nan 0.000 0.529 1155 A N 0.086 122.892 122.820 -0.023 0.000 2.386 1155 A HA 0.781 5.101 4.320 0.000 0.000 0.248 1155 A C 0.855 178.397 177.584 -0.071 0.000 1.082 1155 A CA 1.219 53.202 52.037 -0.089 0.000 0.789 1155 A CB 0.404 19.289 19.000 -0.192 0.000 1.025 1155 A HN 1.719 nan 8.150 nan 0.000 0.490 1156 T N -1.435 113.060 114.554 -0.098 0.000 2.930 1156 T HA 0.771 5.121 4.350 0.000 0.000 0.290 1156 T C -0.715 173.865 174.700 -0.199 0.000 1.052 1156 T CA -0.491 61.636 62.100 0.045 0.000 1.017 1156 T CB 1.055 70.049 68.868 0.212 0.000 1.137 1156 T HN 0.316 nan 8.240 nan 0.000 0.511 1157 F N 0.079 120.028 119.950 -0.001 0.000 2.546 1157 F HA 0.704 5.231 4.527 0.000 0.000 0.320 1157 F C 0.292 176.047 175.800 -0.074 0.000 1.076 1157 F CA -0.818 57.108 58.000 -0.123 0.000 0.928 1157 F CB 2.290 41.240 39.000 -0.083 0.000 1.189 1157 F HN 0.784 nan 8.300 nan 0.000 0.465 1158 E N 2.283 122.481 120.200 -0.003 0.000 2.291 1158 E HA 0.283 4.633 4.350 0.000 0.000 0.276 1158 E C -1.243 175.360 176.600 0.004 0.000 0.896 1158 E CA -0.891 55.539 56.400 0.050 0.000 0.774 1158 E CB 1.673 31.454 29.700 0.136 0.000 1.227 1158 E HN 0.639 nan 8.360 nan 0.000 0.413 1159 R N 3.730 124.240 120.500 0.018 0.000 2.296 1159 R HA 0.278 4.618 4.340 0.000 0.000 0.323 1159 R C -0.407 175.888 176.300 -0.009 0.000 1.067 1159 R CA 0.219 56.312 56.100 -0.011 0.000 0.946 1159 R CB 0.564 30.855 30.300 -0.014 0.000 0.991 1159 R HN 0.491 nan 8.270 nan 0.000 0.448 1160 R N 2.020 122.505 120.500 -0.025 0.000 2.629 1160 R HA 0.233 4.573 4.340 0.000 0.000 0.266 1160 R C -1.618 174.666 176.300 -0.028 0.000 1.051 1160 R CA -0.522 55.568 56.100 -0.017 0.000 0.895 1160 R CB 2.309 32.604 30.300 -0.008 0.000 1.246 1160 R HN 0.490 nan 8.270 nan 0.000 0.459 1161 T N 2.925 117.468 114.554 -0.017 0.000 2.842 1161 T HA 0.295 4.645 4.350 0.000 0.000 0.308 1161 T C -0.593 174.100 174.700 -0.011 0.000 1.041 1161 T CA -0.417 61.673 62.100 -0.016 0.000 0.964 1161 T CB 1.207 70.069 68.868 -0.009 0.000 0.972 1161 T HN 0.204 nan 8.240 nan 0.000 0.460 1162 V N 4.051 123.956 119.914 -0.015 0.000 2.546 1162 V HA 0.348 4.468 4.120 0.000 0.000 0.284 1162 V C 1.523 177.615 176.094 -0.002 0.000 1.050 1162 V CA -0.136 62.158 62.300 -0.010 0.000 0.981 1162 V CB 1.476 33.286 31.823 -0.021 0.000 0.990 1162 V HN 1.087 nan 8.190 nan 0.000 0.474 1163 T N -0.800 113.757 114.554 0.005 0.000 2.975 1163 T HA 0.254 4.604 4.350 0.000 0.000 0.257 1163 T C 0.479 175.188 174.700 0.016 0.000 1.003 1163 T CA 0.201 62.305 62.100 0.008 0.000 0.932 1163 T CB 0.450 69.322 68.868 0.006 0.000 1.087 1163 T HN 0.539 nan 8.240 nan 0.000 0.512 1164 S N -0.358 115.357 115.700 0.024 0.000 2.533 1164 S HA 0.537 5.007 4.470 0.000 0.000 0.271 1164 S C 0.494 175.132 174.600 0.064 0.000 1.143 1164 S CA -0.793 57.431 58.200 0.040 0.000 0.891 1164 S CB 1.250 64.471 63.200 0.036 0.000 1.105 1164 S HN 0.245 nan 8.310 nan 0.000 0.468 1165 L N 2.924 124.207 121.223 0.100 0.000 2.081 1165 L HA -0.131 4.209 4.340 0.000 0.000 0.212 1165 L C 2.764 179.795 176.870 0.269 0.000 1.080 1165 L CA 1.958 56.909 54.840 0.185 0.000 0.754 1165 L CB -0.390 41.825 42.059 0.261 0.000 0.893 1165 L HN 0.852 nan 8.230 nan 0.000 0.433 1166 E N 0.229 120.546 120.200 0.196 0.000 2.265 1166 E HA -0.289 4.061 4.350 0.000 0.000 0.196 1166 E C 1.720 178.412 176.600 0.154 0.000 0.996 1166 E CA 1.299 57.817 56.400 0.197 0.000 0.832 1166 E CB -0.408 29.347 29.700 0.092 0.000 0.756 1166 E HN 0.611 nan 8.360 nan 0.000 0.491 1167 Q N 0.304 120.159 119.800 0.093 0.000 2.291 1167 Q HA 0.037 4.377 4.340 0.000 0.000 0.205 1167 Q C 2.034 178.046 176.000 0.021 0.000 0.970 1167 Q CA 1.590 57.422 55.803 0.049 0.000 0.876 1167 Q CB -0.035 28.720 28.738 0.028 0.000 0.935 1167 Q HN 0.490 nan 8.270 nan 0.000 0.455 1168 A N -0.273 122.540 122.820 -0.012 0.000 2.044 1168 A HA 0.056 4.376 4.320 0.000 0.000 0.213 1168 A C 0.907 178.350 177.584 -0.235 0.000 1.169 1168 A CA 0.074 52.016 52.037 -0.158 0.000 0.724 1168 A CB -0.072 18.760 19.000 -0.280 0.000 0.840 1168 A HN 0.286 nan 8.150 nan 0.000 0.463 1169 F N 1.296 121.246 119.950 -0.001 0.000 2.811 1169 F HA 0.129 4.656 4.527 0.000 0.000 0.292 1169 F C 0.338 176.139 175.800 0.002 0.000 1.240 1169 F CA -0.282 57.717 58.000 -0.002 0.000 1.422 1169 F CB -0.183 38.813 39.000 -0.007 0.000 1.045 1169 F HN 0.186 nan 8.300 nan 0.000 0.512 1170 D N 0.053 120.508 120.400 0.091 0.000 2.347 1170 D HA 0.388 5.028 4.640 0.000 0.000 0.235 1170 D C 1.026 177.349 176.300 0.039 0.000 1.149 1170 D CA 0.253 54.291 54.000 0.062 0.000 0.850 1170 D CB 0.829 41.652 40.800 0.039 0.000 1.061 1170 D HN 0.364 nan 8.370 nan 0.000 0.487 1171 G N 2.303 111.128 108.800 0.040 0.000 2.176 1171 G HA2 0.070 4.030 3.960 0.000 0.000 0.253 1171 G HA3 0.070 4.030 3.960 0.000 0.000 0.253 1171 G C 0.235 175.161 174.900 0.044 0.000 0.979 1171 G CA 0.123 45.233 45.100 0.018 0.000 0.641 1171 G HN 1.238 nan 8.290 nan 0.000 0.530 1172 A N -0.772 122.096 122.820 0.081 0.000 2.574 1172 A HA 0.681 5.001 4.320 0.000 0.000 0.297 1172 A C -0.031 177.671 177.584 0.196 0.000 1.062 1172 A CA 0.243 52.341 52.037 0.102 0.000 0.686 1172 A CB 0.943 19.976 19.000 0.055 0.000 1.285 1172 A HN -0.015 nan 8.150 nan 0.000 0.403 1173 D N 0.519 121.013 120.400 0.157 0.000 2.349 1173 D HA 0.165 4.805 4.640 0.000 0.000 0.214 1173 D C -0.214 176.239 176.300 0.254 0.000 1.063 1173 D CA 0.774 54.907 54.000 0.221 0.000 0.847 1173 D CB 0.620 41.538 40.800 0.196 0.000 0.933 1173 D HN 0.390 nan 8.370 nan 0.000 0.513 1174 L N 0.695 121.988 121.223 0.117 0.000 2.410 1174 L HA 0.412 4.752 4.340 0.000 0.000 0.270 1174 L C -1.480 175.381 176.870 -0.015 0.000 0.983 1174 L CA -0.590 54.302 54.840 0.087 0.000 0.822 1174 L CB 2.417 44.400 42.059 -0.127 0.000 1.285 1174 L HN -0.375 nan 8.230 nan 0.000 0.409 1175 V N 5.020 124.871 119.914 -0.106 0.000 2.540 1175 V HA 0.428 4.548 4.120 0.000 0.000 0.302 1175 V C -0.416 175.561 176.094 -0.195 0.000 1.035 1175 V CA -0.679 61.422 62.300 -0.331 0.000 0.873 1175 V CB 2.200 33.537 31.823 -0.810 0.000 0.992 1175 V HN 0.462 nan 8.190 nan 0.000 0.428 1176 V N 4.721 124.531 119.914 -0.173 0.000 2.385 1176 V HA 0.258 4.378 4.120 0.000 0.000 0.269 1176 V C 0.565 176.603 176.094 -0.093 0.000 1.043 1176 V CA -0.373 61.855 62.300 -0.121 0.000 0.906 1176 V CB 1.185 32.936 31.823 -0.120 0.000 0.995 1176 V HN 0.922 nan 8.190 nan 0.000 0.467 1177 N N 4.543 123.222 118.700 -0.035 0.000 2.521 1177 N HA 0.382 5.122 4.740 0.000 0.000 0.236 1177 N C -0.019 175.584 175.510 0.155 0.000 1.067 1177 N CA -0.291 52.783 53.050 0.041 0.000 0.939 1177 N CB 0.937 39.490 38.487 0.110 0.000 1.201 1177 N HN 0.762 nan 8.380 nan 0.000 0.511 1178 A N 3.038 125.911 122.820 0.088 0.000 3.154 1178 A HA 0.159 4.479 4.320 0.000 0.000 0.310 1178 A C 1.011 178.661 177.584 0.111 0.000 1.093 1178 A CA -0.545 51.576 52.037 0.140 0.000 1.006 1178 A CB -0.436 18.605 19.000 0.069 0.000 1.084 1178 A HN 0.682 nan 8.150 nan 0.000 0.549 1179 T N -3.503 111.092 114.554 0.068 0.000 3.107 1179 T HA 0.425 4.775 4.350 0.000 0.000 0.249 1179 T C 1.439 176.178 174.700 0.066 0.000 1.096 1179 T CA 0.940 63.055 62.100 0.025 0.000 1.012 1179 T CB -0.165 68.668 68.868 -0.059 0.000 0.977 1179 T HN 1.724 nan 8.240 nan 0.000 0.527 1180 G N 2.584 111.474 108.800 0.151 0.000 2.629 1180 G HA2 -0.351 3.609 3.960 0.000 0.000 0.313 1180 G HA3 -0.351 3.609 3.960 0.000 0.000 0.313 1180 G C 0.714 175.683 174.900 0.115 0.000 1.217 1180 G CA 0.430 45.647 45.100 0.196 0.000 0.994 1180 G HN 0.497 nan 8.290 nan 0.000 0.549 1181 L N 2.079 123.374 121.223 0.120 0.000 2.275 1181 L HA 0.121 4.462 4.340 0.000 0.000 0.215 1181 L C 3.182 180.119 176.870 0.111 0.000 1.119 1181 L CA 1.300 56.211 54.840 0.118 0.000 0.790 1181 L CB -0.737 41.398 42.059 0.128 0.000 0.919 1181 L HN 0.694 nan 8.230 nan 0.000 0.443 1182 G N -0.196 108.646 108.800 0.069 0.000 2.470 1182 G HA2 -0.226 3.734 3.960 0.000 0.000 0.220 1182 G HA3 -0.226 3.734 3.960 0.000 0.000 0.220 1182 G C 1.765 176.637 174.900 -0.048 0.000 1.121 1182 G CA 0.697 45.818 45.100 0.035 0.000 0.766 1182 G HN 0.460 nan 8.290 nan 0.000 0.553 1183 A N 0.708 123.419 122.820 -0.181 0.000 2.076 1183 A HA -0.065 4.255 4.320 0.000 0.000 0.220 1183 A C 2.153 179.648 177.584 -0.147 0.000 1.160 1183 A CA 2.082 53.920 52.037 -0.332 0.000 0.653 1183 A CB -0.344 18.053 19.000 -1.004 0.000 0.801 1183 A HN 0.465 nan 8.150 nan 0.000 0.455 1184 K N -0.599 119.776 120.400 -0.042 0.000 2.155 1184 K HA 0.008 4.328 4.320 0.000 0.000 0.203 1184 K C 1.025 177.637 176.600 0.020 0.000 1.052 1184 K CA 1.489 57.790 56.287 0.023 0.000 0.948 1184 K CB -0.035 32.521 32.500 0.094 0.000 0.728 1184 K HN 0.354 nan 8.250 nan 0.000 0.448 1185 S N 0.245 115.954 115.700 0.016 0.000 2.593 1185 S HA 0.296 4.766 4.470 0.000 0.000 0.236 1185 S C -0.029 174.573 174.600 0.005 0.000 0.991 1185 S CA -0.486 57.721 58.200 0.011 0.000 0.963 1185 S CB 0.297 63.503 63.200 0.010 0.000 0.865 1185 S HN 0.155 nan 8.310 nan 0.000 0.488 1186 I N 2.670 123.239 120.570 -0.001 0.000 2.325 1186 I HA 0.324 4.494 4.170 0.000 0.000 0.291 1186 I C 0.548 176.677 176.117 0.020 0.000 1.019 1186 I CA -0.624 60.679 61.300 0.006 0.000 1.302 1186 I CB 1.042 39.040 38.000 -0.003 0.000 1.401 1186 I HN 0.110 nan 8.210 nan 0.000 0.485 1187 A N 4.872 127.707 122.820 0.024 0.000 2.520 1187 A HA 0.463 4.783 4.320 0.000 0.000 0.245 1187 A C 1.226 178.840 177.584 0.049 0.000 1.072 1187 A CA 0.733 52.788 52.037 0.031 0.000 0.761 1187 A CB -0.220 18.795 19.000 0.025 0.000 1.004 1187 A HN 1.193 nan 8.150 nan 0.000 0.499 1188 G N 1.210 110.042 108.800 0.053 0.000 2.218 1188 G HA2 -0.227 3.733 3.960 0.000 0.000 0.216 1188 G HA3 -0.227 3.733 3.960 0.000 0.000 0.216 1188 G C 0.638 175.599 174.900 0.102 0.000 0.994 1188 G CA 0.469 45.614 45.100 0.075 0.000 0.637 1188 G HN 0.711 nan 8.290 nan 0.000 0.505 1189 I N -0.493 120.128 120.570 0.084 0.000 3.518 1189 I HA 0.211 4.381 4.170 0.000 0.000 0.260 1189 I C 0.914 177.057 176.117 0.044 0.000 1.148 1189 I CA 0.466 61.820 61.300 0.090 0.000 1.440 1189 I CB -0.006 38.038 38.000 0.072 0.000 1.485 1189 I HN 0.011 nan 8.210 nan 0.000 0.456 1190 D N 2.235 122.650 120.400 0.025 0.000 2.811 1190 D HA -0.200 4.440 4.640 0.000 0.000 0.231 1190 D C -0.132 176.185 176.300 0.028 0.000 1.157 1190 D CA 0.862 54.876 54.000 0.023 0.000 0.716 1190 D CB -1.195 39.621 40.800 0.027 0.000 1.077 1190 D HN 0.341 nan 8.370 nan 0.000 0.428 1191 D N 1.036 121.452 120.400 0.026 0.000 2.359 1191 D HA 0.026 4.666 4.640 0.000 0.000 0.250 1191 D C 1.526 177.868 176.300 0.069 0.000 1.264 1191 D CA 0.003 54.038 54.000 0.058 0.000 0.911 1191 D CB 0.723 41.595 40.800 0.119 0.000 1.056 1191 D HN 0.015 nan 8.370 nan 0.000 0.499 1192 Q N 2.659 122.495 119.800 0.059 0.000 2.437 1192 Q HA -0.057 4.283 4.340 0.000 0.000 0.210 1192 Q C 1.528 177.574 176.000 0.075 0.000 0.972 1192 Q CA 0.582 56.423 55.803 0.064 0.000 0.903 1192 Q CB -0.056 28.711 28.738 0.048 0.000 0.967 1192 Q HN 0.607 nan 8.270 nan 0.000 0.486 1193 A N 0.856 123.720 122.820 0.073 0.000 2.067 1193 A HA 0.252 4.572 4.320 0.000 0.000 0.217 1193 A C 1.205 178.841 177.584 0.087 0.000 1.156 1193 A CA 0.577 52.653 52.037 0.065 0.000 0.683 1193 A CB -0.222 18.803 19.000 0.041 0.000 0.808 1193 A HN 0.260 nan 8.150 nan 0.000 0.455 1194 A N 1.031 123.927 122.820 0.128 0.000 2.540 1194 A HA 0.425 4.745 4.320 0.000 0.000 0.239 1194 A C 0.217 177.867 177.584 0.109 0.000 1.061 1194 A CA 0.537 52.660 52.037 0.142 0.000 0.758 1194 A CB -0.246 18.849 19.000 0.159 0.000 0.991 1194 A HN 0.689 nan 8.150 nan 0.000 0.502 1195 E N 2.421 122.652 120.200 0.051 0.000 2.366 1195 E HA 0.636 4.986 4.350 0.000 0.000 0.278 1195 E C -3.223 173.285 176.600 -0.154 0.000 0.923 1195 E CA -2.250 54.141 56.400 -0.015 0.000 0.761 1195 E CB 2.355 32.059 29.700 0.007 0.000 1.231 1195 E HN 0.376 nan 8.360 nan 0.000 0.443 1196 P HA 0.337 nan 4.420 nan 0.000 0.281 1196 P C -0.444 176.698 177.300 -0.264 0.000 1.249 1196 P CA -0.494 62.327 63.100 -0.464 0.000 0.810 1196 P CB 1.059 32.154 31.700 -1.010 0.000 1.008 1197 I N 1.477 121.944 120.570 -0.172 0.000 2.493 1197 I HA 0.350 4.520 4.170 0.000 0.000 0.279 1197 I C 0.787 176.841 176.117 -0.105 0.000 1.045 1197 I CA -0.879 60.368 61.300 -0.088 0.000 1.106 1197 I CB 1.672 39.675 38.000 0.004 0.000 1.216 1197 I HN 0.250 nan 8.210 nan 0.000 0.459 1198 R N 4.185 124.610 120.500 -0.125 0.000 2.489 1198 R HA 0.417 4.757 4.340 0.000 0.000 0.287 1198 R C 0.016 176.219 176.300 -0.162 0.000 1.053 1198 R CA 0.052 56.069 56.100 -0.140 0.000 1.036 1198 R CB 0.782 31.014 30.300 -0.114 0.000 0.966 1198 R HN 0.825 nan 8.270 nan 0.000 0.432 1199 G N 3.850 112.542 108.800 -0.181 0.000 2.730 1199 G HA2 0.151 4.111 3.960 0.000 0.000 0.291 1199 G HA3 0.151 4.111 3.960 0.000 0.000 0.291 1199 G C -1.351 173.439 174.900 -0.183 0.000 1.456 1199 G CA -0.499 44.472 45.100 -0.214 0.000 0.996 1199 G HN 0.626 nan 8.290 nan 0.000 0.528 1200 Q N 1.272 120.966 119.800 -0.175 0.000 2.241 1200 Q HA 0.697 5.037 4.340 0.000 0.000 0.254 1200 Q C -0.044 175.880 176.000 -0.126 0.000 0.917 1200 Q CA -0.514 55.203 55.803 -0.143 0.000 0.919 1200 Q CB 1.430 30.098 28.738 -0.117 0.000 1.237 1200 Q HN 0.615 nan 8.270 nan 0.000 0.434 1201 T N -1.035 113.473 114.554 -0.077 0.000 2.841 1201 T HA 0.643 4.993 4.350 0.000 0.000 0.296 1201 T C -1.013 173.681 174.700 -0.009 0.000 1.166 1201 T CA -0.753 61.309 62.100 -0.063 0.000 1.007 1201 T CB 1.324 70.185 68.868 -0.012 0.000 1.253 1201 T HN 0.310 nan 8.240 nan 0.000 0.511 1202 V N 1.950 121.844 119.914 -0.033 0.000 2.409 1202 V HA 0.553 4.673 4.120 0.000 0.000 0.291 1202 V C -0.469 175.579 176.094 -0.075 0.000 1.020 1202 V CA -0.863 61.398 62.300 -0.065 0.000 0.848 1202 V CB 1.109 32.904 31.823 -0.047 0.000 0.990 1202 V HN 0.940 nan 8.190 nan 0.000 0.430 1203 L N 6.924 128.091 121.223 -0.093 0.000 2.290 1203 L HA 0.663 5.003 4.340 0.000 0.000 0.284 1203 L C -0.377 176.444 176.870 -0.082 0.000 1.078 1203 L CA 0.561 55.364 54.840 -0.063 0.000 0.815 1203 L CB 1.291 43.328 42.059 -0.036 0.000 1.162 1203 L HN 0.457 nan 8.230 nan 0.000 0.435 1204 V N 4.276 124.157 119.914 -0.054 0.000 2.769 1204 V HA 0.452 4.572 4.120 0.000 0.000 0.312 1204 V C -0.451 175.626 176.094 -0.029 0.000 1.061 1204 V CA -1.009 61.263 62.300 -0.045 0.000 0.931 1204 V CB 1.931 33.733 31.823 -0.033 0.000 1.010 1204 V HN 0.696 nan 8.190 nan 0.000 0.433 1205 K N 2.813 123.199 120.400 -0.023 0.000 2.284 1205 K HA 0.621 4.941 4.320 0.000 0.000 0.287 1205 K C -0.502 176.092 176.600 -0.009 0.000 1.081 1205 K CA 0.484 56.762 56.287 -0.014 0.000 0.910 1205 K CB 0.702 33.196 32.500 -0.011 0.000 1.088 1205 K HN 0.797 nan 8.250 nan 0.000 0.478 1206 S N 4.564 120.260 115.700 -0.007 0.000 2.543 1206 S HA 0.456 4.926 4.470 0.000 0.000 0.274 1206 S C -2.531 172.068 174.600 -0.002 0.000 1.149 1206 S CA -1.054 57.144 58.200 -0.003 0.000 0.866 1206 S CB 1.233 64.433 63.200 -0.001 0.000 1.111 1206 S HN 0.518 nan 8.310 nan 0.000 0.457 1207 P HA 0.188 nan 4.420 nan 0.000 0.249 1207 P C 0.805 178.106 177.300 0.003 0.000 1.229 1207 P CA -0.051 63.049 63.100 0.000 0.000 0.788 1207 P CB -0.678 31.022 31.700 -0.000 0.000 1.072 1208 C N 2.188 121.490 119.300 0.005 0.000 2.419 1208 C HA 0.008 4.468 4.460 0.000 0.000 0.398 1208 C C 1.568 176.563 174.990 0.008 0.000 1.498 1208 C CA 0.346 59.369 59.018 0.008 0.000 1.494 1208 C CB -1.056 26.690 27.740 0.011 0.000 2.485 1208 C HN 0.212 nan 8.230 nan 0.000 0.608 1209 K N 4.009 124.416 120.400 0.010 0.000 2.387 1209 K HA 0.117 4.437 4.320 0.000 0.000 0.203 1209 K C 0.564 177.174 176.600 0.017 0.000 1.030 1209 K CA -0.140 56.155 56.287 0.014 0.000 1.099 1209 K CB 0.299 32.808 32.500 0.016 0.000 0.863 1209 K HN 0.685 nan 8.250 nan 0.000 0.529 1210 R N 1.154 121.662 120.500 0.012 0.000 2.254 1210 R HA 0.157 4.497 4.340 0.000 0.000 0.318 1210 R C -0.871 175.431 176.300 0.004 0.000 1.031 1210 R CA -0.192 55.911 56.100 0.005 0.000 0.905 1210 R CB 0.899 31.201 30.300 0.003 0.000 1.050 1210 R HN 0.046 nan 8.270 nan 0.000 0.456 1211 C N 3.697 122.992 119.300 -0.009 0.000 2.330 1211 C HA 0.598 5.058 4.460 0.000 0.000 0.344 1211 C C -0.530 174.427 174.990 -0.055 0.000 1.273 1211 C CA 0.059 59.072 59.018 -0.008 0.000 1.879 1211 C CB 0.528 28.272 27.740 0.006 0.000 2.376 1211 C HN 0.846 nan 8.230 nan 0.000 0.534 1212 T N 8.397 122.938 114.554 -0.021 0.000 2.881 1212 T HA 0.448 4.798 4.350 0.000 0.000 0.291 1212 T C -0.574 174.128 174.700 0.004 0.000 0.990 1212 T CA -0.363 61.696 62.100 -0.069 0.000 0.976 1212 T CB 1.102 69.973 68.868 0.005 0.000 0.970 1212 T HN 0.664 nan 8.240 nan 0.000 0.438 1213 M N 3.346 122.910 119.600 -0.059 0.000 2.072 1213 M HA 0.409 4.889 4.480 0.000 0.000 0.331 1213 M C -0.653 175.698 176.300 0.085 0.000 1.004 1213 M CA -0.901 54.441 55.300 0.071 0.000 0.952 1213 M CB 0.904 33.551 32.600 0.078 0.000 1.511 1213 M HN 0.477 nan 8.290 nan 0.000 0.422 1214 D N 2.311 122.828 120.400 0.194 0.000 2.453 1214 D HA 0.358 4.998 4.640 0.000 0.000 0.238 1214 D C 0.158 176.603 176.300 0.241 0.000 1.088 1214 D CA -0.129 54.044 54.000 0.288 0.000 0.854 1214 D CB 1.119 42.132 40.800 0.354 0.000 1.076 1214 D HN 0.597 nan 8.370 nan 0.000 0.533 1215 S N 1.087 116.929 115.700 0.235 0.000 2.664 1215 S HA 0.046 4.516 4.470 0.000 0.000 0.245 1215 S C 1.345 176.047 174.600 0.170 0.000 1.019 1215 S CA -0.044 58.265 58.200 0.180 0.000 0.996 1215 S CB -0.118 63.163 63.200 0.136 0.000 0.878 1215 S HN 0.265 nan 8.310 nan 0.000 0.493 1216 S N 0.401 116.226 115.700 0.208 0.000 2.496 1216 S HA 0.041 4.511 4.470 0.000 0.000 0.224 1216 S C 0.374 175.047 174.600 0.122 0.000 0.996 1216 S CA 0.273 58.566 58.200 0.156 0.000 0.927 1216 S CB -0.324 62.964 63.200 0.147 0.000 0.774 1216 S HN 0.454 nan 8.310 nan 0.000 0.524 1217 D N 2.655 123.152 120.400 0.161 0.000 2.454 1217 D HA 0.355 4.995 4.640 0.000 0.000 0.225 1217 D C -1.777 174.599 176.300 0.126 0.000 1.081 1217 D CA -2.529 51.550 54.000 0.131 0.000 0.864 1217 D CB 1.770 42.661 40.800 0.153 0.000 1.040 1217 D HN 0.042 nan 8.370 nan 0.000 0.517 1218 P HA -0.064 nan 4.420 nan 0.000 0.225 1218 P C 0.761 178.105 177.300 0.073 0.000 1.148 1218 P CA 0.485 63.627 63.100 0.071 0.000 0.779 1218 P CB 0.329 32.058 31.700 0.048 0.000 0.780 1219 A N -1.194 121.669 122.820 0.072 0.000 2.238 1219 A HA 0.196 4.516 4.320 0.000 0.000 0.210 1219 A C 1.199 178.838 177.584 0.092 0.000 1.179 1219 A CA 0.391 52.467 52.037 0.065 0.000 0.827 1219 A CB -0.179 18.845 19.000 0.041 0.000 0.856 1219 A HN 0.193 nan 8.150 nan 0.000 0.488 1220 S N 0.878 116.664 115.700 0.143 0.000 2.461 1220 S HA 0.478 4.948 4.470 0.000 0.000 0.216 1220 S C -3.262 171.473 174.600 0.225 0.000 1.201 1220 S CA -1.299 57.026 58.200 0.209 0.000 1.171 1220 S CB 0.680 64.055 63.200 0.292 0.000 1.169 1220 S HN 0.023 nan 8.310 nan 0.000 0.456 1221 P HA 0.477 nan 4.420 nan 0.000 0.271 1221 P C -1.039 176.232 177.300 -0.048 0.000 1.216 1221 P CA -0.077 63.112 63.100 0.147 0.000 0.771 1221 P CB 0.949 32.832 31.700 0.304 0.000 0.864 1222 A N 3.393 126.138 122.820 -0.126 0.000 2.520 1222 A HA 0.795 5.115 4.320 0.000 0.000 0.298 1222 A C -1.757 175.787 177.584 -0.067 0.000 1.051 1222 A CA -0.530 51.282 52.037 -0.374 0.000 0.690 1222 A CB 1.138 19.475 19.000 -1.106 0.000 1.281 1222 A HN 0.571 nan 8.150 nan 0.000 0.402 1223 Y N -1.218 119.041 120.300 -0.068 0.000 2.592 1223 Y HA 0.776 5.326 4.550 0.000 0.000 0.334 1223 Y C -1.427 174.466 175.900 -0.011 0.000 1.136 1223 Y CA -1.603 56.493 58.100 -0.007 0.000 1.042 1223 Y CB 0.936 39.425 38.460 0.049 0.000 1.325 1223 Y HN 0.474 nan 8.280 nan 0.000 0.457 1224 I N 4.112 124.807 120.570 0.207 0.000 2.439 1224 I HA 0.443 4.613 4.170 0.000 0.000 0.283 1224 I C -1.073 175.124 176.117 0.133 0.000 1.023 1224 I CA -0.536 60.841 61.300 0.128 0.000 1.100 1224 I CB 1.493 39.532 38.000 0.065 0.000 1.238 1224 I HN 0.566 nan 8.210 nan 0.000 0.445 1225 I N 8.269 128.922 120.570 0.138 0.000 2.405 1225 I HA 0.341 4.511 4.170 0.000 0.000 0.280 1225 I C -2.396 173.735 176.117 0.022 0.000 1.027 1225 I CA -1.930 59.414 61.300 0.074 0.000 1.161 1225 I CB 1.452 39.490 38.000 0.064 0.000 1.300 1225 I HN 0.201 nan 8.210 nan 0.000 0.463 1226 P HA 0.177 nan 4.420 nan 0.000 0.271 1226 P C -0.996 176.279 177.300 -0.042 0.000 1.218 1226 P CA -0.245 62.848 63.100 -0.011 0.000 0.780 1226 P CB 0.525 32.225 31.700 0.000 0.000 0.901 1227 R N 1.988 122.454 120.500 -0.058 0.000 2.837 1227 R HA 0.684 5.024 4.340 0.000 0.000 0.271 1227 R C -3.006 173.276 176.300 -0.031 0.000 0.993 1227 R CA -2.702 53.346 56.100 -0.086 0.000 0.931 1227 R CB 0.174 30.367 30.300 -0.178 0.000 1.206 1227 R HN 0.118 nan 8.270 nan 0.000 0.474 1228 P HA 0.043 nan 4.420 nan 0.000 0.261 1228 P C 0.282 177.620 177.300 0.063 0.000 1.183 1228 P CA 1.388 64.487 63.100 -0.002 0.000 0.761 1228 P CB 0.622 32.299 31.700 -0.037 0.000 0.785 1229 G N 2.459 111.267 108.800 0.014 0.000 2.198 1229 G HA2 0.097 4.057 3.960 0.000 0.000 0.156 1229 G HA3 0.097 4.057 3.960 0.000 0.000 0.156 1229 G C 0.641 175.547 174.900 0.010 0.000 1.012 1229 G CA 0.227 45.338 45.100 0.017 0.000 0.692 1229 G HN 0.942 nan 8.290 nan 0.000 0.492 1230 G N -0.674 108.127 108.800 0.002 0.000 2.137 1230 G HA2 -0.112 3.848 3.960 0.000 0.000 0.237 1230 G HA3 -0.112 3.848 3.960 0.000 0.000 0.237 1230 G C -0.117 174.782 174.900 -0.002 0.000 1.002 1230 G CA 1.014 46.113 45.100 -0.002 0.000 0.702 1230 G HN 1.024 nan 8.290 nan 0.000 0.515 1231 E N -1.188 119.010 120.200 -0.003 0.000 2.312 1231 E HA 0.692 5.042 4.350 0.000 0.000 0.267 1231 E C -0.159 176.427 176.600 -0.023 0.000 0.894 1231 E CA -0.760 55.632 56.400 -0.014 0.000 0.773 1231 E CB 2.997 32.687 29.700 -0.016 0.000 1.241 1231 E HN 0.810 nan 8.360 nan 0.000 0.432 1232 V N -0.924 118.977 119.914 -0.023 0.000 2.789 1232 V HA 0.611 4.731 4.120 0.000 0.000 0.311 1232 V C -0.686 175.400 176.094 -0.014 0.000 1.073 1232 V CA -0.853 61.438 62.300 -0.015 0.000 0.921 1232 V CB 1.403 33.226 31.823 0.000 0.000 1.009 1232 V HN 0.620 nan 8.190 nan 0.000 0.426 1233 I N 3.497 124.070 120.570 0.006 0.000 2.321 1233 I HA 0.452 4.622 4.170 0.000 0.000 0.291 1233 I C -0.361 175.789 176.117 0.055 0.000 0.998 1233 I CA -0.139 61.178 61.300 0.029 0.000 1.227 1233 I CB 1.306 39.337 38.000 0.052 0.000 1.368 1233 I HN 0.678 nan 8.210 nan 0.000 0.466 1234 C N 5.499 124.787 119.300 -0.021 0.000 2.273 1234 C HA 0.767 5.227 4.460 0.000 0.000 0.328 1234 C C 0.855 175.673 174.990 -0.286 0.000 1.275 1234 C CA -0.446 58.507 59.018 -0.108 0.000 1.704 1234 C CB -0.034 27.657 27.740 -0.081 0.000 2.326 1234 C HN 0.941 nan 8.230 nan 0.000 0.517 1235 G N 1.443 109.811 108.800 -0.721 0.000 2.788 1235 G HA2 0.905 4.865 3.960 0.000 0.000 0.293 1235 G HA3 0.905 4.865 3.960 0.000 0.000 0.293 1235 G C -0.479 173.915 174.900 -0.843 0.000 1.305 1235 G CA -0.091 44.331 45.100 -1.128 0.000 1.005 1235 G HN 1.162 nan 8.290 nan 0.000 0.496 1236 G N -1.741 106.711 108.800 -0.579 0.000 2.427 1236 G HA2 0.714 4.674 3.960 0.000 0.000 0.306 1236 G HA3 0.714 4.674 3.960 0.000 0.000 0.306 1236 G C -0.803 173.934 174.900 -0.272 0.000 1.280 1236 G CA 0.500 45.300 45.100 -0.499 0.000 0.837 1236 G HN 1.475 nan 8.290 nan 0.000 0.482 1237 T N -2.822 111.526 114.554 -0.343 0.000 2.896 1237 T HA 0.680 5.030 4.350 0.000 0.000 0.297 1237 T C -1.656 172.724 174.700 -0.533 0.000 1.108 1237 T CA -0.663 61.282 62.100 -0.259 0.000 1.004 1237 T CB 2.122 70.899 68.868 -0.151 0.000 1.159 1237 T HN 0.666 nan 8.240 nan 0.000 0.499 1238 Y N 0.211 120.505 120.300 -0.010 0.000 2.592 1238 Y HA 0.535 5.085 4.550 0.000 0.000 0.354 1238 Y C 0.804 176.684 175.900 -0.034 0.000 1.063 1238 Y CA -1.024 57.059 58.100 -0.028 0.000 1.205 1238 Y CB 1.246 39.684 38.460 -0.037 0.000 1.106 1238 Y HN 1.081 nan 8.280 nan 0.000 0.649 1239 G N 1.722 110.537 108.800 0.025 0.000 2.639 1239 G HA2 0.379 4.339 3.960 0.000 0.000 0.312 1239 G HA3 0.379 4.339 3.960 0.000 0.000 0.312 1239 G C -0.246 174.649 174.900 -0.007 0.000 0.911 1239 G CA -0.325 44.780 45.100 0.008 0.000 1.410 1239 G HN 0.300 nan 8.290 nan 0.000 0.469 1240 V N 2.532 122.455 119.914 0.015 0.000 2.493 1240 V HA 0.350 4.470 4.120 0.000 0.000 0.292 1240 V C 1.676 177.762 176.094 -0.013 0.000 1.016 1240 V CA 1.462 63.760 62.300 -0.004 0.000 1.097 1240 V CB 0.545 32.374 31.823 0.010 0.000 0.947 1240 V HN 1.321 nan 8.190 nan 0.000 0.479 1241 G N 3.785 112.553 108.800 -0.052 0.000 2.168 1241 G HA2 -0.237 3.723 3.960 0.000 0.000 0.263 1241 G HA3 -0.237 3.723 3.960 0.000 0.000 0.263 1241 G C 0.059 174.960 174.900 0.000 0.000 0.977 1241 G CA 0.298 45.384 45.100 -0.022 0.000 0.659 1241 G HN 0.785 nan 8.290 nan 0.000 0.533 1242 D N -0.778 119.585 120.400 -0.061 0.000 2.280 1242 D HA 0.441 5.081 4.640 0.000 0.000 0.243 1242 D C 0.655 176.921 176.300 -0.057 0.000 1.129 1242 D CA -0.792 53.210 54.000 0.004 0.000 0.848 1242 D CB 0.387 41.184 40.800 -0.005 0.000 1.107 1242 D HN 0.243 nan 8.370 nan 0.000 0.471 1243 W N 1.490 122.789 121.300 -0.002 0.000 3.220 1243 W HA 0.109 4.769 4.660 0.000 0.000 0.328 1243 W C 0.470 176.978 176.519 -0.018 0.000 1.205 1243 W CA -0.588 56.755 57.345 -0.003 0.000 1.773 1243 W CB 0.215 29.678 29.460 0.005 0.000 1.086 1243 W HN 0.319 nan 8.180 nan 0.000 0.622 1244 D N 1.258 121.751 120.400 0.156 0.000 2.451 1244 D HA -0.035 4.605 4.640 0.000 0.000 0.254 1244 D C 0.807 177.122 176.300 0.025 0.000 1.204 1244 D CA 0.767 54.814 54.000 0.079 0.000 0.896 1244 D CB 0.861 41.685 40.800 0.040 0.000 1.136 1244 D HN 0.133 nan 8.370 nan 0.000 0.499 1245 L N 2.530 123.769 121.223 0.025 0.000 2.607 1245 L HA 0.057 4.397 4.340 0.000 0.000 0.228 1245 L C 1.079 177.917 176.870 -0.053 0.000 1.123 1245 L CA -0.148 54.675 54.840 -0.027 0.000 0.890 1245 L CB -0.185 41.877 42.059 0.004 0.000 1.103 1245 L HN 0.309 nan 8.230 nan 0.000 0.468 1246 S N -0.474 115.207 115.700 -0.032 0.000 2.601 1246 S HA 0.399 4.869 4.470 0.000 0.000 0.271 1246 S C -0.016 174.549 174.600 -0.059 0.000 1.305 1246 S CA -0.727 57.450 58.200 -0.038 0.000 1.022 1246 S CB 1.811 64.998 63.200 -0.022 0.000 0.940 1246 S HN -0.097 nan 8.310 nan 0.000 0.525 1247 V N 3.014 122.890 119.914 -0.064 0.000 2.508 1247 V HA 0.184 4.304 4.120 0.000 0.000 0.281 1247 V C 0.694 176.736 176.094 -0.086 0.000 1.041 1247 V CA -0.384 61.866 62.300 -0.083 0.000 1.016 1247 V CB 0.065 31.831 31.823 -0.094 0.000 0.984 1247 V HN 0.992 nan 8.190 nan 0.000 0.478 1248 N N 7.158 125.807 118.700 -0.084 0.000 2.420 1248 N HA 0.266 5.006 4.740 0.000 0.000 0.249 1248 N C -1.391 174.063 175.510 -0.093 0.000 1.033 1248 N CA -1.516 51.491 53.050 -0.073 0.000 0.944 1248 N CB 1.526 39.980 38.487 -0.055 0.000 1.113 1248 N HN 0.372 nan 8.380 nan 0.000 0.502 1249 P HA -0.145 nan 4.420 nan 0.000 0.219 1249 P C 0.249 177.505 177.300 -0.073 0.000 1.150 1249 P CA 1.307 64.341 63.100 -0.110 0.000 0.814 1249 P CB 0.328 31.975 31.700 -0.087 0.000 0.787 1250 E N -0.367 119.803 120.200 -0.050 0.000 2.072 1250 E HA -0.094 4.256 4.350 0.000 0.000 0.191 1250 E C 2.041 178.624 176.600 -0.028 0.000 0.985 1250 E CA 1.378 57.759 56.400 -0.032 0.000 0.801 1250 E CB -0.776 28.910 29.700 -0.022 0.000 0.750 1250 E HN 0.215 nan 8.360 nan 0.000 0.452 1251 T N 1.057 115.589 114.554 -0.036 0.000 2.759 1251 T HA -0.138 4.213 4.350 0.000 0.000 0.269 1251 T C 2.092 176.773 174.700 -0.031 0.000 1.042 1251 T CA 0.962 63.042 62.100 -0.034 0.000 1.140 1251 T CB -0.196 68.644 68.868 -0.047 0.000 0.864 1251 T HN -0.023 nan 8.240 nan 0.000 0.455 1252 V N 1.943 121.832 119.914 -0.042 0.000 2.255 1252 V HA -0.230 3.890 4.120 0.000 0.000 0.247 1252 V C 2.791 178.889 176.094 0.007 0.000 1.051 1252 V CA 1.616 63.907 62.300 -0.014 0.000 1.018 1252 V CB -0.659 31.123 31.823 -0.069 0.000 0.641 1252 V HN 0.459 nan 8.190 nan 0.000 0.445 1253 Q N 0.069 119.866 119.800 -0.004 0.000 2.061 1253 Q HA -0.248 4.092 4.340 0.000 0.000 0.204 1253 Q C 2.294 178.304 176.000 0.018 0.000 0.984 1253 Q CA 2.015 57.822 55.803 0.007 0.000 0.846 1253 Q CB -0.703 28.035 28.738 -0.001 0.000 0.902 1253 Q HN 0.649 nan 8.270 nan 0.000 0.421 1254 R N 0.502 121.012 120.500 0.015 0.000 2.081 1254 R HA -0.072 4.268 4.340 0.000 0.000 0.235 1254 R C 2.371 178.705 176.300 0.056 0.000 1.131 1254 R CA 1.002 57.124 56.100 0.037 0.000 0.960 1254 R CB -0.212 30.108 30.300 0.034 0.000 0.856 1254 R HN 0.231 nan 8.270 nan 0.000 0.436 1255 I N 0.904 121.482 120.570 0.015 0.000 2.142 1255 I HA -0.314 3.856 4.170 0.000 0.000 0.240 1255 I C 2.262 178.384 176.117 0.009 0.000 1.078 1255 I CA 1.254 62.542 61.300 -0.020 0.000 1.343 1255 I CB -0.198 37.758 38.000 -0.073 0.000 1.046 1255 I HN 0.241 nan 8.210 nan 0.000 0.405 1256 L N 0.238 121.473 121.223 0.020 0.000 2.046 1256 L HA -0.219 4.121 4.340 0.000 0.000 0.208 1256 L C 2.559 179.458 176.870 0.049 0.000 1.077 1256 L CA 1.469 56.326 54.840 0.029 0.000 0.747 1256 L CB -0.611 41.468 42.059 0.034 0.000 0.896 1256 L HN 0.196 nan 8.230 nan 0.000 0.432 1257 K N -0.796 119.637 120.400 0.055 0.000 2.002 1257 K HA -0.238 4.083 4.320 0.000 0.000 0.209 1257 K C 2.111 178.770 176.600 0.099 0.000 1.048 1257 K CA 1.682 58.002 56.287 0.056 0.000 0.930 1257 K CB -0.306 32.215 32.500 0.035 0.000 0.714 1257 K HN 0.365 nan 8.250 nan 0.000 0.438 1258 H N -0.309 118.763 119.070 0.004 0.000 2.319 1258 H HA -0.158 4.398 4.556 0.000 0.000 0.299 1258 H C 2.063 177.405 175.328 0.023 0.000 1.092 1258 H CA 1.537 57.593 56.048 0.013 0.000 1.302 1258 H CB 0.083 29.852 29.762 0.012 0.000 1.373 1258 H HN 0.234 nan 8.280 nan 0.000 0.497 1259 C N 0.315 119.706 119.300 0.152 0.000 2.422 1259 C HA -0.117 4.343 4.460 0.000 0.000 0.279 1259 C C 2.748 177.793 174.990 0.091 0.000 1.305 1259 C CA 0.734 59.799 59.018 0.077 0.000 1.757 1259 C CB -1.010 26.733 27.740 0.005 0.000 1.962 1259 C HN 0.580 nan 8.230 nan 0.000 0.499 1260 L N 1.014 122.285 121.223 0.081 0.000 2.093 1260 L HA -0.070 4.270 4.340 0.000 0.000 0.208 1260 L C 2.696 179.607 176.870 0.067 0.000 1.085 1260 L CA 1.688 56.565 54.840 0.060 0.000 0.755 1260 L CB -0.586 41.498 42.059 0.043 0.000 0.904 1260 L HN 0.240 nan 8.230 nan 0.000 0.435 1261 R N -0.614 119.934 120.500 0.081 0.000 2.096 1261 R HA -0.182 4.158 4.340 0.000 0.000 0.240 1261 R C 2.228 178.584 176.300 0.093 0.000 1.139 1261 R CA 1.963 58.102 56.100 0.065 0.000 0.952 1261 R CB -0.771 29.552 30.300 0.039 0.000 0.854 1261 R HN 0.394 nan 8.270 nan 0.000 0.436 1262 L N -0.233 121.082 121.223 0.154 0.000 2.046 1262 L HA -0.097 4.243 4.340 0.000 0.000 0.208 1262 L C 0.524 177.476 176.870 0.136 0.000 1.077 1262 L CA 0.977 55.929 54.840 0.186 0.000 0.747 1262 L CB -0.138 42.059 42.059 0.229 0.000 0.896 1262 L HN 0.166 nan 8.230 nan 0.000 0.432 1263 D N -2.104 118.354 120.400 0.097 0.000 2.362 1263 D HA 0.152 4.792 4.640 0.000 0.000 0.232 1263 D C -2.152 174.177 176.300 0.049 0.000 1.329 1263 D CA -1.303 52.739 54.000 0.070 0.000 0.944 1263 D CB 1.355 42.194 40.800 0.064 0.000 1.471 1263 D HN -0.242 nan 8.370 nan 0.000 0.533 1264 P HA -0.082 nan 4.420 nan 0.000 0.223 1264 P C 1.253 178.568 177.300 0.024 0.000 1.144 1264 P CA 1.137 64.256 63.100 0.031 0.000 0.783 1264 P CB 0.059 31.774 31.700 0.025 0.000 0.771 1265 T N -3.095 111.474 114.554 0.024 0.000 3.160 1265 T HA -0.031 4.319 4.350 0.000 0.000 0.257 1265 T C 1.507 176.216 174.700 0.016 0.000 1.147 1265 T CA 0.166 62.277 62.100 0.018 0.000 1.064 1265 T CB -1.335 67.543 68.868 0.017 0.000 0.949 1265 T HN 0.262 nan 8.240 nan 0.000 0.526 1266 I N -0.932 119.650 120.570 0.019 0.000 3.111 1266 I HA 0.209 4.379 4.170 0.000 0.000 0.272 1266 I C 1.008 177.131 176.117 0.010 0.000 1.268 1266 I CA -0.252 61.056 61.300 0.014 0.000 1.467 1266 I CB -0.283 37.727 38.000 0.016 0.000 1.087 1266 I HN 0.191 nan 8.210 nan 0.000 0.467 1267 S N 0.795 116.502 115.700 0.012 0.000 2.651 1267 S HA 0.341 4.811 4.470 0.000 0.000 0.291 1267 S C 1.256 175.861 174.600 0.008 0.000 1.141 1267 S CA -0.073 58.133 58.200 0.010 0.000 1.027 1267 S CB 1.622 64.830 63.200 0.013 0.000 1.043 1267 S HN 0.446 nan 8.310 nan 0.000 0.530 1268 S N 1.236 116.940 115.700 0.007 0.000 2.414 1268 S HA -0.036 4.434 4.470 0.000 0.000 0.227 1268 S C 0.517 175.120 174.600 0.006 0.000 1.022 1268 S CA 1.079 59.282 58.200 0.006 0.000 0.958 1268 S CB -0.457 62.746 63.200 0.004 0.000 0.797 1268 S HN 0.854 nan 8.310 nan 0.000 0.493 1269 D N -0.899 119.505 120.400 0.007 0.000 2.563 1269 D HA 0.341 4.981 4.640 0.000 0.000 0.237 1269 D C 1.059 177.364 176.300 0.009 0.000 1.282 1269 D CA 0.084 54.088 54.000 0.007 0.000 0.816 1269 D CB -0.352 40.452 40.800 0.006 0.000 1.066 1269 D HN 0.462 nan 8.370 nan 0.000 0.501 1270 G N 0.562 109.369 108.800 0.011 0.000 2.179 1270 G HA2 -0.249 3.711 3.960 0.000 0.000 0.257 1270 G HA3 -0.249 3.711 3.960 0.000 0.000 0.257 1270 G C 0.376 175.284 174.900 0.013 0.000 1.010 1270 G CA 0.803 45.911 45.100 0.013 0.000 0.736 1270 G HN 0.918 nan 8.290 nan 0.000 0.513 1271 T N -3.018 111.543 114.554 0.012 0.000 2.912 1271 T HA 0.704 5.055 4.350 0.000 0.000 0.288 1271 T C 1.406 176.115 174.700 0.014 0.000 1.030 1271 T CA -0.603 61.505 62.100 0.012 0.000 1.020 1271 T CB 1.573 70.447 68.868 0.010 0.000 1.056 1271 T HN 0.013 nan 8.240 nan 0.000 0.480 1272 I N 1.149 121.728 120.570 0.016 0.000 2.264 1272 I HA -0.059 4.111 4.170 0.000 0.000 0.248 1272 I C 2.260 178.388 176.117 0.018 0.000 1.111 1272 I CA 1.314 62.625 61.300 0.019 0.000 1.382 1272 I CB -1.440 36.572 38.000 0.020 0.000 1.060 1272 I HN 0.758 nan 8.210 nan 0.000 0.418 1273 E N 0.261 120.470 120.200 0.015 0.000 2.338 1273 E HA -0.074 4.276 4.350 0.000 0.000 0.197 1273 E C 2.132 178.740 176.600 0.013 0.000 1.007 1273 E CA 0.903 57.311 56.400 0.015 0.000 0.849 1273 E CB -0.504 29.203 29.700 0.012 0.000 0.774 1273 E HN 0.492 nan 8.360 nan 0.000 0.506 1274 G N -0.081 108.726 108.800 0.012 0.000 2.985 1274 G HA2 0.098 4.058 3.960 0.000 0.000 0.209 1274 G HA3 0.098 4.058 3.960 0.000 0.000 0.209 1274 G C 0.344 175.249 174.900 0.008 0.000 1.165 1274 G CA -0.339 44.766 45.100 0.009 0.000 0.776 1274 G HN 0.111 nan 8.290 nan 0.000 0.541 1275 I N 0.980 121.556 120.570 0.010 0.000 2.371 1275 I HA 0.131 4.301 4.170 0.000 0.000 0.290 1275 I C 0.256 176.374 176.117 0.001 0.000 1.028 1275 I CA -0.340 60.964 61.300 0.006 0.000 1.345 1275 I CB 1.612 39.617 38.000 0.008 0.000 1.407 1275 I HN 0.040 nan 8.210 nan 0.000 0.501 1276 E N 6.750 126.947 120.200 -0.005 0.000 1.941 1276 E HA 0.215 4.566 4.350 0.000 0.000 0.275 1276 E C -0.997 175.587 176.600 -0.027 0.000 1.113 1276 E CA -0.526 55.868 56.400 -0.010 0.000 0.878 1276 E CB 0.614 30.309 29.700 -0.008 0.000 1.070 1276 E HN 0.383 nan 8.360 nan 0.000 0.399 1277 V N 6.614 126.507 119.914 -0.035 0.000 2.508 1277 V HA -0.010 4.110 4.120 0.000 0.000 0.281 1277 V C 1.244 177.286 176.094 -0.086 0.000 1.041 1277 V CA 0.170 62.417 62.300 -0.087 0.000 1.016 1277 V CB 1.053 32.812 31.823 -0.106 0.000 0.984 1277 V HN 0.834 nan 8.190 nan 0.000 0.478 1278 L N 3.756 124.915 121.223 -0.106 0.000 2.286 1278 L HA 0.375 4.715 4.340 0.000 0.000 0.203 1278 L C 1.078 177.899 176.870 -0.081 0.000 1.068 1278 L CA 0.540 55.339 54.840 -0.068 0.000 0.811 1278 L CB 0.218 42.251 42.059 -0.042 0.000 0.989 1278 L HN 0.615 nan 8.230 nan 0.000 0.467 1279 R N -0.950 119.457 120.500 -0.155 0.000 2.664 1279 R HA 0.271 4.612 4.340 0.000 0.000 0.260 1279 R C -1.483 174.666 176.300 -0.251 0.000 1.062 1279 R CA -0.667 55.361 56.100 -0.120 0.000 0.902 1279 R CB 1.417 31.725 30.300 0.014 0.000 1.258 1279 R HN 0.004 nan 8.270 nan 0.000 0.465 1280 H N 2.574 121.662 119.070 0.029 0.000 2.488 1280 H HA 0.389 4.945 4.556 0.000 0.000 0.322 1280 H C -0.641 174.679 175.328 -0.014 0.000 1.078 1280 H CA -0.581 55.466 56.048 -0.001 0.000 1.260 1280 H CB 1.469 31.220 29.762 -0.017 0.000 1.425 1280 H HN 0.452 nan 8.280 nan 0.000 0.471 1281 N N 2.119 120.850 118.700 0.052 0.000 2.272 1281 N HA 0.360 5.101 4.740 0.000 0.000 0.305 1281 N C -0.881 174.479 175.510 -0.250 0.000 1.103 1281 N CA -0.653 52.337 53.050 -0.101 0.000 0.791 1281 N CB 3.211 41.743 38.487 0.076 0.000 1.356 1281 N HN 0.163 nan 8.380 nan 0.000 0.486 1282 V N 0.191 119.787 119.914 -0.530 0.000 2.524 1282 V HA 0.690 4.810 4.120 0.000 0.000 0.297 1282 V C 0.214 175.819 176.094 -0.815 0.000 1.035 1282 V CA -0.788 61.224 62.300 -0.480 0.000 0.867 1282 V CB 1.639 33.286 31.823 -0.295 0.000 1.004 1282 V HN 0.842 nan 8.190 nan 0.000 0.426 1283 G N 3.786 112.205 108.800 -0.635 0.000 2.481 1283 G HA2 0.771 4.731 3.960 0.000 0.000 0.315 1283 G HA3 0.771 4.731 3.960 0.000 0.000 0.315 1283 G C -1.287 173.470 174.900 -0.238 0.000 1.231 1283 G CA -0.807 43.925 45.100 -0.614 0.000 0.968 1283 G HN 0.586 nan 8.290 nan 0.000 0.482 1284 L N 1.678 122.825 121.223 -0.127 0.000 2.276 1284 L HA 0.427 4.767 4.340 0.000 0.000 0.286 1284 L C 0.461 177.302 176.870 -0.048 0.000 1.024 1284 L CA -0.779 53.986 54.840 -0.125 0.000 0.826 1284 L CB 1.361 43.306 42.059 -0.190 0.000 1.211 1284 L HN 0.422 nan 8.230 nan 0.000 0.422 1285 R N 3.810 124.285 120.500 -0.041 0.000 2.537 1285 R HA 0.168 4.508 4.340 0.000 0.000 0.280 1285 R C -2.289 174.015 176.300 0.007 0.000 1.058 1285 R CA -1.432 54.686 56.100 0.030 0.000 1.057 1285 R CB 0.052 30.382 30.300 0.050 0.000 0.973 1285 R HN 0.295 nan 8.270 nan 0.000 0.438 1286 P HA 0.172 nan 4.420 nan 0.000 0.274 1286 P C -1.144 176.214 177.300 0.097 0.000 1.504 1286 P CA -0.141 63.006 63.100 0.078 0.000 1.011 1286 P CB 1.311 33.105 31.700 0.157 0.000 1.366 1287 A N 3.830 126.673 122.820 0.038 0.000 2.263 1287 A HA 0.888 5.208 4.320 0.000 0.000 0.318 1287 A C -0.265 177.340 177.584 0.035 0.000 1.111 1287 A CA -0.756 51.300 52.037 0.032 0.000 0.901 1287 A CB 1.177 20.181 19.000 0.007 0.000 1.280 1287 A HN 0.437 nan 8.150 nan 0.000 0.503 1288 R N 0.052 120.554 120.500 0.004 0.000 2.523 1288 R HA 0.289 4.629 4.340 0.000 0.000 0.278 1288 R C -1.213 175.076 176.300 -0.019 0.000 1.150 1288 R CA -0.506 55.598 56.100 0.006 0.000 0.987 1288 R CB 1.101 31.386 30.300 -0.026 0.000 1.232 1288 R HN 0.855 nan 8.270 nan 0.000 0.424 1289 R N 1.801 122.301 120.500 -0.001 0.000 2.484 1289 R HA 0.168 4.508 4.340 0.000 0.000 0.293 1289 R C 0.704 176.987 176.300 -0.028 0.000 1.023 1289 R CA 1.504 57.598 56.100 -0.011 0.000 1.037 1289 R CB 0.681 30.983 30.300 0.003 0.000 0.951 1289 R HN 1.006 nan 8.270 nan 0.000 0.418 1290 G N 1.153 109.930 108.800 -0.039 0.000 2.176 1290 G HA2 -0.135 3.825 3.960 0.000 0.000 0.232 1290 G HA3 -0.135 3.825 3.960 0.000 0.000 0.232 1290 G C 0.475 175.330 174.900 -0.075 0.000 0.986 1290 G CA -0.179 44.890 45.100 -0.052 0.000 0.643 1290 G HN 1.223 nan 8.290 nan 0.000 0.522 1291 G N -0.664 108.087 108.800 -0.081 0.000 2.757 1291 G HA2 0.271 4.231 3.960 0.000 0.000 0.638 1291 G HA3 0.271 4.231 3.960 0.000 0.000 0.638 1291 G C -1.920 172.874 174.900 -0.177 0.000 1.344 1291 G CA 0.056 45.094 45.100 -0.103 0.000 0.855 1291 G HN 0.958 nan 8.290 nan 0.000 0.537 1292 P HA 0.265 nan 4.420 nan 0.000 0.267 1292 P C -0.197 176.875 177.300 -0.380 0.000 1.200 1292 P CA 0.015 62.829 63.100 -0.477 0.000 0.772 1292 P CB 0.563 31.835 31.700 -0.714 0.000 0.855 1293 R N 2.102 122.262 120.500 -0.566 0.000 2.246 1293 R HA 0.457 4.797 4.340 0.000 0.000 0.332 1293 R C -1.404 174.749 176.300 -0.246 0.000 0.974 1293 R CA -0.563 55.271 56.100 -0.444 0.000 0.837 1293 R CB 0.454 30.299 30.300 -0.758 0.000 1.145 1293 R HN 0.239 nan 8.270 nan 0.000 0.467 1294 V N 6.110 126.009 119.914 -0.025 0.000 2.385 1294 V HA 0.305 4.425 4.120 0.000 0.000 0.277 1294 V C -0.837 175.330 176.094 0.122 0.000 1.012 1294 V CA -0.465 61.892 62.300 0.094 0.000 0.832 1294 V CB 1.073 33.007 31.823 0.186 0.000 1.028 1294 V HN 0.931 nan 8.190 nan 0.000 0.436 1295 E N 3.657 123.940 120.200 0.138 0.000 2.396 1295 E HA 0.775 5.125 4.350 0.000 0.000 0.280 1295 E C -1.294 175.397 176.600 0.152 0.000 1.065 1295 E CA -1.017 55.467 56.400 0.139 0.000 0.831 1295 E CB 2.063 31.838 29.700 0.125 0.000 1.272 1295 E HN 0.547 nan 8.360 nan 0.000 0.443 1296 A N 1.396 124.290 122.820 0.123 0.000 2.305 1296 A HA 0.571 4.891 4.320 0.000 0.000 0.322 1296 A C -0.518 177.127 177.584 0.102 0.000 1.187 1296 A CA -0.423 51.671 52.037 0.096 0.000 0.825 1296 A CB 1.211 20.284 19.000 0.122 0.000 1.164 1296 A HN 0.643 nan 8.150 nan 0.000 0.498 1297 E N 1.870 122.103 120.200 0.056 0.000 2.266 1297 E HA 0.495 4.845 4.350 0.000 0.000 0.268 1297 E C -0.965 175.617 176.600 -0.031 0.000 0.879 1297 E CA -0.914 55.519 56.400 0.056 0.000 0.762 1297 E CB 1.152 30.943 29.700 0.152 0.000 1.199 1297 E HN 0.528 nan 8.360 nan 0.000 0.422 1298 R N 3.622 124.071 120.500 -0.086 0.000 2.255 1298 R HA 0.507 4.847 4.340 0.000 0.000 0.326 1298 R C -0.644 175.572 176.300 -0.139 0.000 0.986 1298 R CA -0.524 55.455 56.100 -0.202 0.000 0.847 1298 R CB 0.446 30.552 30.300 -0.323 0.000 1.111 1298 R HN 0.566 nan 8.270 nan 0.000 0.452 1299 I N 2.096 122.563 120.570 -0.171 0.000 2.608 1299 I HA 0.279 4.449 4.170 0.000 0.000 0.295 1299 I C -0.293 175.703 176.117 -0.201 0.000 1.049 1299 I CA -1.041 60.172 61.300 -0.146 0.000 1.063 1299 I CB 2.610 40.546 38.000 -0.107 0.000 1.248 1299 I HN 0.085 nan 8.210 nan 0.000 0.424 1300 V N 6.774 126.602 119.914 -0.143 0.000 2.432 1300 V HA 0.399 4.519 4.120 0.000 0.000 0.275 1300 V C -0.011 176.004 176.094 -0.132 0.000 1.043 1300 V CA -0.385 61.831 62.300 -0.139 0.000 0.925 1300 V CB 1.331 33.098 31.823 -0.094 0.000 0.985 1300 V HN 0.423 nan 8.190 nan 0.000 0.466 1301 L N 7.279 128.411 121.223 -0.152 0.000 2.334 1301 L HA 0.563 4.903 4.340 0.000 0.000 0.276 1301 L C -2.458 174.365 176.870 -0.079 0.000 1.014 1301 L CA -1.908 52.861 54.840 -0.119 0.000 0.815 1301 L CB 2.527 44.489 42.059 -0.161 0.000 1.268 1301 L HN 0.433 nan 8.230 nan 0.000 0.428 1302 P HA 0.246 nan 4.420 nan 0.000 0.279 1302 P C -0.614 176.668 177.300 -0.030 0.000 1.252 1302 P CA -0.549 62.530 63.100 -0.034 0.000 0.811 1302 P CB 0.641 32.330 31.700 -0.018 0.000 1.035 1303 L N 1.503 122.716 121.223 -0.016 0.000 2.483 1303 L HA 0.200 4.540 4.340 0.000 0.000 0.275 1303 L C 0.910 177.776 176.870 -0.006 0.000 1.220 1303 L CA 0.326 55.161 54.840 -0.008 0.000 0.833 1303 L CB -0.176 41.888 42.059 0.008 0.000 1.102 1303 L HN 0.513 nan 8.230 nan 0.000 0.490 1304 D N 0.319 120.716 120.400 -0.005 0.000 2.493 1304 D HA 0.209 4.849 4.640 0.000 0.000 0.239 1304 D C 0.385 176.685 176.300 0.000 0.000 1.049 1304 D CA -0.953 53.044 54.000 -0.004 0.000 1.008 1304 D CB 1.161 41.956 40.800 -0.008 0.000 1.398 1304 D HN 0.175 nan 8.370 nan 0.000 0.513 1305 R N -0.417 120.083 120.500 0.000 0.000 2.241 1305 R HA -0.070 4.270 4.340 0.000 0.000 0.224 1305 R C 1.775 178.076 176.300 0.003 0.000 1.101 1305 R CA 2.125 58.226 56.100 0.002 0.000 0.995 1305 R CB -0.991 29.309 30.300 0.001 0.000 0.870 1305 R HN 0.707 nan 8.270 nan 0.000 0.463 1306 T N -2.138 112.417 114.554 0.001 0.000 2.812 1306 T HA -0.053 4.297 4.350 0.000 0.000 0.264 1306 T C 1.840 176.542 174.700 0.004 0.000 1.042 1306 T CA 0.721 62.822 62.100 0.001 0.000 1.140 1306 T CB -0.178 68.689 68.868 -0.001 0.000 0.870 1306 T HN 0.013 nan 8.240 nan 0.000 0.445 1307 K N 1.349 121.751 120.400 0.004 0.000 2.062 1307 K HA 0.112 4.432 4.320 0.000 0.000 0.205 1307 K C 0.823 177.431 176.600 0.015 0.000 1.051 1307 K CA 0.723 57.015 56.287 0.008 0.000 0.941 1307 K CB -0.268 32.236 32.500 0.006 0.000 0.719 1307 K HN 0.464 nan 8.250 nan 0.000 0.440 1308 S N -0.156 115.552 115.700 0.013 0.000 2.614 1308 S HA 0.378 4.848 4.470 0.000 0.000 0.288 1308 S C -2.477 172.130 174.600 0.012 0.000 1.137 1308 S CA -1.443 56.767 58.200 0.016 0.000 0.992 1308 S CB 1.852 65.065 63.200 0.022 0.000 1.026 1308 S HN -0.147 nan 8.310 nan 0.000 0.486 1309 P HA 0.059 nan 4.420 nan 0.000 0.222 1309 P C 0.673 177.977 177.300 0.006 0.000 1.147 1309 P CA 0.834 63.938 63.100 0.007 0.000 0.790 1309 P CB 0.058 31.762 31.700 0.007 0.000 0.780 1310 L N -1.293 119.935 121.223 0.008 0.000 2.653 1310 L HA 0.143 4.483 4.340 0.000 0.000 0.231 1310 L C 0.858 177.733 176.870 0.009 0.000 1.153 1310 L CA -0.249 54.595 54.840 0.007 0.000 0.933 1310 L CB -0.602 41.461 42.059 0.008 0.000 1.175 1310 L HN -0.039 nan 8.230 nan 0.000 0.473 1311 S N 0.820 116.526 115.700 0.010 0.000 2.563 1311 S HA 0.285 4.755 4.470 0.000 0.000 0.284 1311 S C 0.082 174.687 174.600 0.008 0.000 1.331 1311 S CA -0.451 57.755 58.200 0.010 0.000 1.047 1311 S CB 0.755 63.960 63.200 0.009 0.000 0.859 1311 S HN 0.156 nan 8.310 nan 0.000 0.514 1312 L N 2.580 123.809 121.223 0.009 0.000 2.456 1312 L HA 0.650 4.990 4.340 0.000 0.000 0.257 1312 L C 1.358 178.231 176.870 0.005 0.000 1.162 1312 L CA 0.137 54.981 54.840 0.007 0.000 0.808 1312 L CB -0.282 41.782 42.059 0.009 0.000 1.136 1312 L HN 1.227 nan 8.230 nan 0.000 0.466 1313 G N 0.914 109.716 108.800 0.003 0.000 2.693 1313 G HA2 -0.203 3.757 3.960 0.000 0.000 0.226 1313 G HA3 -0.203 3.757 3.960 0.000 0.000 0.226 1313 G C -0.509 174.392 174.900 0.001 0.000 1.354 1313 G CA -0.663 44.438 45.100 0.002 0.000 0.873 1313 G HN 0.616 nan 8.290 nan 0.000 0.562 1314 R N 0.603 121.103 120.500 -0.000 0.000 2.438 1314 R HA 0.429 4.769 4.340 0.000 0.000 0.287 1314 R C 1.906 178.205 176.300 -0.001 0.000 1.077 1314 R CA 0.119 56.218 56.100 -0.001 0.000 1.034 1314 R CB 0.675 30.974 30.300 -0.001 0.000 0.993 1314 R HN 0.990 nan 8.270 nan 0.000 0.459 1315 G N 1.606 110.406 108.800 -0.001 0.000 2.507 1315 G HA2 -0.268 3.692 3.960 0.000 0.000 0.221 1315 G HA3 -0.268 3.692 3.960 0.000 0.000 0.221 1315 G C 0.330 175.229 174.900 -0.002 0.000 1.119 1315 G CA 0.589 45.688 45.100 -0.001 0.000 0.751 1315 G HN 0.608 nan 8.290 nan 0.000 0.574 1316 S N 0.260 115.959 115.700 -0.002 0.000 2.411 1316 S HA 0.745 5.215 4.470 0.000 0.000 0.304 1316 S C -0.145 174.453 174.600 -0.003 0.000 1.098 1316 S CA -0.198 58.001 58.200 -0.003 0.000 1.068 1316 S CB 1.453 64.652 63.200 -0.003 0.000 1.032 1316 S HN 0.786 nan 8.310 nan 0.000 0.511 1317 A N 3.511 126.328 122.820 -0.004 0.000 2.556 1317 A HA 0.892 5.212 4.320 0.000 0.000 0.294 1317 A C -0.159 177.420 177.584 -0.007 0.000 1.091 1317 A CA -1.051 50.982 52.037 -0.005 0.000 0.704 1317 A CB 1.629 20.626 19.000 -0.005 0.000 1.300 1317 A HN 0.741 nan 8.150 nan 0.000 0.406 1318 R N -0.891 119.603 120.500 -0.009 0.000 2.956 1318 R HA 0.853 5.194 4.340 0.000 0.000 0.106 1318 R C 0.517 176.809 176.300 -0.013 0.000 0.710 1318 R CA 0.280 56.373 56.100 -0.011 0.000 0.468 1318 R CB 0.697 30.991 30.300 -0.010 0.000 0.593 1318 R HN 1.215 nan 8.270 nan 0.000 0.339 1319 A N -0.179 122.632 122.820 -0.015 0.000 2.597 1319 A HA 0.575 4.895 4.320 0.000 0.000 0.117 1319 A C -1.401 176.173 177.584 -0.016 0.000 1.465 1319 A CA 0.357 52.386 52.037 -0.014 0.000 2.326 1319 A CB -0.493 18.500 19.000 -0.011 0.000 2.358 1319 A HN 0.501 nan 8.150 nan 0.000 1.040 1320 A N 0.402 123.214 122.820 -0.014 0.000 2.331 1320 A HA 0.716 5.036 4.320 0.000 0.000 0.320 1320 A C 0.007 177.583 177.584 -0.013 0.000 1.138 1320 A CA 0.006 52.035 52.037 -0.014 0.000 0.790 1320 A CB 1.217 20.210 19.000 -0.011 0.000 1.206 1320 A HN 0.516 nan 8.150 nan 0.000 0.470 1321 K N 0.735 121.125 120.400 -0.016 0.000 3.206 1321 K HA 0.484 4.804 4.320 0.000 0.000 0.284 1321 K C -0.413 176.171 176.600 -0.027 0.000 1.082 1321 K CA 0.190 56.465 56.287 -0.020 0.000 1.536 1321 K CB 0.208 32.696 32.500 -0.020 0.000 1.993 1321 K HN 0.689 nan 8.250 nan 0.000 0.646 1322 E N 0.124 120.302 120.200 -0.036 0.000 3.664 1322 E HA 0.049 4.399 4.350 0.000 0.000 0.378 1322 E C -1.946 174.617 176.600 -0.060 0.000 1.032 1322 E CA -0.242 56.130 56.400 -0.048 0.000 0.817 1322 E CB 1.028 30.703 29.700 -0.041 0.000 1.281 1322 E HN 0.533 nan 8.360 nan 0.000 0.488 1323 K N 1.624 121.974 120.400 -0.084 0.000 2.536 1323 K HA 0.618 4.938 4.320 0.000 0.000 0.269 1323 K C -1.017 175.492 176.600 -0.152 0.000 0.965 1323 K CA -0.892 55.331 56.287 -0.105 0.000 0.860 1323 K CB 2.700 35.140 32.500 -0.100 0.000 1.423 1323 K HN 0.243 nan 8.250 nan 0.000 0.438 1324 E N 1.668 121.769 120.200 -0.166 0.000 2.166 1324 E HA 0.398 4.749 4.350 0.000 0.000 0.275 1324 E C -0.834 175.606 176.600 -0.266 0.000 0.941 1324 E CA -0.926 55.345 56.400 -0.215 0.000 0.784 1324 E CB 1.698 31.280 29.700 -0.196 0.000 1.115 1324 E HN 0.529 nan 8.360 nan 0.000 0.399 1325 V N 0.358 120.061 119.914 -0.351 0.000 3.158 1325 V HA 0.675 4.795 4.120 0.000 0.000 0.311 1325 V C -0.434 175.524 176.094 -0.227 0.000 1.181 1325 V CA -0.837 61.254 62.300 -0.349 0.000 1.054 1325 V CB 1.961 33.271 31.823 -0.854 0.000 1.085 1325 V HN 0.597 nan 8.190 nan 0.000 0.446 1326 T N 3.057 117.638 114.554 0.045 0.000 2.794 1326 T HA 0.696 5.046 4.350 0.000 0.000 0.280 1326 T C -0.887 173.951 174.700 0.230 0.000 0.987 1326 T CA -0.057 62.104 62.100 0.102 0.000 0.993 1326 T CB 1.149 70.169 68.868 0.253 0.000 0.939 1326 T HN 0.784 nan 8.240 nan 0.000 0.449 1327 L N 5.064 126.354 121.223 0.113 0.000 2.316 1327 L HA 0.587 4.927 4.340 0.000 0.000 0.280 1327 L C -0.982 175.781 176.870 -0.179 0.000 1.006 1327 L CA -0.590 54.267 54.840 0.027 0.000 0.836 1327 L CB 1.280 43.348 42.059 0.014 0.000 1.221 1327 L HN 0.439 nan 8.230 nan 0.000 0.418 1328 V N 5.322 125.145 119.914 -0.152 0.000 2.318 1328 V HA 0.359 4.479 4.120 0.000 0.000 0.271 1328 V C 0.117 176.138 176.094 -0.123 0.000 1.030 1328 V CA -0.741 61.491 62.300 -0.113 0.000 0.844 1328 V CB 0.423 32.225 31.823 -0.035 0.000 1.015 1328 V HN 0.603 nan 8.190 nan 0.000 0.460 1329 H N 3.554 122.695 119.070 0.118 0.000 2.732 1329 H HA 0.572 5.128 4.556 0.000 0.000 0.351 1329 H C 0.321 175.723 175.328 0.123 0.000 1.090 1329 H CA 0.115 56.272 56.048 0.181 0.000 1.431 1329 H CB 1.621 31.489 29.762 0.177 0.000 1.447 1329 H HN 0.735 nan 8.280 nan 0.000 0.582 1330 A N 4.213 127.241 122.820 0.347 0.000 3.158 1330 A HA 0.396 4.716 4.320 0.000 0.000 0.302 1330 A C -1.404 176.478 177.584 0.497 0.000 1.162 1330 A CA -0.687 51.528 52.037 0.296 0.000 0.824 1330 A CB -0.093 19.015 19.000 0.179 0.000 1.322 1330 A HN 0.682 nan 8.150 nan 0.000 0.510 1331 Y N -2.646 117.769 120.300 0.191 0.000 2.638 1331 Y HA 0.702 5.252 4.550 0.000 0.000 0.335 1331 Y C 0.555 176.359 175.900 -0.160 0.000 1.155 1331 Y CA -0.862 57.332 58.100 0.157 0.000 1.046 1331 Y CB 0.839 39.379 38.460 0.133 0.000 1.303 1331 Y HN 1.623 nan 8.280 nan 0.000 0.460 1332 G N 0.691 109.536 108.800 0.076 0.000 2.164 1332 G HA2 -0.249 3.711 3.960 0.000 0.000 0.212 1332 G HA3 -0.249 3.711 3.960 0.000 0.000 0.212 1332 G C -0.414 174.367 174.900 -0.199 0.000 1.031 1332 G CA 0.073 45.130 45.100 -0.071 0.000 0.730 1332 G HN 0.673 nan 8.290 nan 0.000 0.501 1333 F N 0.785 120.789 119.950 0.091 0.000 2.811 1333 F HA 0.343 4.870 4.527 0.000 0.000 0.301 1333 F C 2.024 177.893 175.800 0.116 0.000 1.151 1333 F CA 1.267 59.332 58.000 0.108 0.000 1.412 1333 F CB 0.179 39.231 39.000 0.088 0.000 1.113 1333 F HN 0.535 nan 8.300 nan 0.000 0.579 1334 S N 0.640 116.465 115.700 0.209 0.000 4.112 1334 S HA -0.370 4.100 4.470 0.000 0.000 0.602 1334 S C 1.647 176.352 174.600 0.174 0.000 1.939 1334 S CA 1.927 60.212 58.200 0.142 0.000 4.230 1334 S CB -1.585 61.663 63.200 0.081 0.000 0.245 1334 S HN 0.484 nan 8.310 nan 0.000 0.530 1335 S N 0.918 116.698 115.700 0.133 0.000 2.671 1335 S HA 0.640 5.110 4.470 0.000 0.000 0.220 1335 S C 0.568 175.360 174.600 0.319 0.000 0.951 1335 S CA 0.679 58.968 58.200 0.149 0.000 0.932 1335 S CB 0.473 63.638 63.200 -0.058 0.000 0.777 1335 S HN 1.590 nan 8.310 nan 0.000 0.508 1336 A N 0.334 123.366 122.820 0.354 0.000 2.605 1336 A HA 0.727 5.047 4.320 0.000 0.000 0.292 1336 A C 1.605 179.372 177.584 0.305 0.000 1.055 1336 A CA 0.052 52.315 52.037 0.376 0.000 0.969 1336 A CB -0.437 18.799 19.000 0.394 0.000 1.236 1336 A HN 0.478 nan 8.150 nan 0.000 0.534 1337 G N -0.337 108.637 108.800 0.290 0.000 2.440 1337 G HA2 -0.213 3.747 3.960 0.000 0.000 0.218 1337 G HA3 -0.213 3.747 3.960 0.000 0.000 0.218 1337 G C 1.260 176.162 174.900 0.004 0.000 1.154 1337 G CA 1.512 46.667 45.100 0.092 0.000 0.767 1337 G HN 0.509 nan 8.290 nan 0.000 0.552 1338 Y N 1.210 121.586 120.300 0.128 0.000 2.153 1338 Y HA -0.113 4.437 4.550 0.000 0.000 0.289 1338 Y C 3.245 179.225 175.900 0.133 0.000 1.127 1338 Y CA 1.796 60.025 58.100 0.216 0.000 1.131 1338 Y CB -0.390 38.251 38.460 0.301 0.000 0.995 1338 Y HN 0.393 nan 8.280 nan 0.000 0.505 1339 Q N -0.098 119.825 119.800 0.205 0.000 2.439 1339 Q HA -0.204 4.136 4.340 0.000 0.000 0.211 1339 Q C 1.226 177.206 176.000 -0.034 0.000 0.978 1339 Q CA 1.581 57.325 55.803 -0.099 0.000 0.897 1339 Q CB -0.296 28.308 28.738 -0.225 0.000 0.956 1339 Q HN 0.560 nan 8.270 nan 0.000 0.483 1340 Q N 0.493 120.324 119.800 0.052 0.000 2.281 1340 Q HA 0.056 4.396 4.340 0.000 0.000 0.215 1340 Q C 1.926 177.884 176.000 -0.069 0.000 0.867 1340 Q CA 0.544 56.424 55.803 0.128 0.000 0.940 1340 Q CB 0.763 29.694 28.738 0.320 0.000 1.111 1340 Q HN 0.539 nan 8.270 nan 0.000 0.513 1341 S N 0.188 115.820 115.700 -0.114 0.000 2.370 1341 S HA -0.205 4.265 4.470 0.000 0.000 0.226 1341 S C 1.512 176.065 174.600 -0.078 0.000 1.033 1341 S CA 0.680 58.764 58.200 -0.194 0.000 1.011 1341 S CB -0.673 62.511 63.200 -0.026 0.000 0.852 1341 S HN 0.590 nan 8.310 nan 0.000 0.457 1342 W N 2.518 123.767 121.300 -0.084 0.000 2.407 1342 W HA 0.026 4.686 4.660 0.000 0.000 0.305 1342 W C 2.445 178.928 176.519 -0.059 0.000 1.196 1342 W CA 1.168 58.493 57.345 -0.033 0.000 1.311 1342 W CB -0.772 28.706 29.460 0.030 0.000 1.135 1342 W HN 0.482 nan 8.180 nan 0.000 0.514 1343 G N 0.491 109.362 108.800 0.119 0.000 2.418 1343 G HA2 -0.247 3.713 3.960 0.000 0.000 0.217 1343 G HA3 -0.247 3.713 3.960 0.000 0.000 0.217 1343 G C 1.654 176.382 174.900 -0.288 0.000 1.158 1343 G CA 1.574 46.742 45.100 0.114 0.000 0.771 1343 G HN 0.334 nan 8.290 nan 0.000 0.545 1344 A N 1.265 123.626 122.820 -0.766 0.000 1.902 1344 A HA 0.232 4.552 4.320 0.000 0.000 0.217 1344 A C 2.834 180.073 177.584 -0.575 0.000 1.181 1344 A CA 2.335 53.676 52.037 -1.160 0.000 0.623 1344 A CB -0.861 17.395 19.000 -1.240 0.000 0.818 1344 A HN 0.832 nan 8.150 nan 0.000 0.443 1345 A N -0.231 122.290 122.820 -0.497 0.000 1.940 1345 A HA -0.195 4.125 4.320 0.000 0.000 0.219 1345 A C 1.895 179.242 177.584 -0.396 0.000 1.176 1345 A CA 1.716 53.487 52.037 -0.443 0.000 0.631 1345 A CB -0.550 18.125 19.000 -0.540 0.000 0.814 1345 A HN 0.664 nan 8.150 nan 0.000 0.446 1346 E N -0.294 119.667 120.200 -0.399 0.000 2.058 1346 E HA -0.209 4.141 4.350 0.000 0.000 0.194 1346 E C 1.494 178.029 176.600 -0.108 0.000 0.997 1346 E CA 1.303 57.558 56.400 -0.242 0.000 0.801 1346 E CB -0.218 29.399 29.700 -0.139 0.000 0.746 1346 E HN 0.531 nan 8.360 nan 0.000 0.450 1347 D N 0.029 120.393 120.400 -0.061 0.000 2.144 1347 D HA -0.105 4.535 4.640 0.000 0.000 0.200 1347 D C 2.010 178.304 176.300 -0.010 0.000 0.978 1347 D CA 0.549 54.574 54.000 0.042 0.000 0.833 1347 D CB -0.110 40.812 40.800 0.202 0.000 0.961 1347 D HN -0.019 nan 8.370 nan 0.000 0.470 1348 V N 1.156 121.016 119.914 -0.090 0.000 2.295 1348 V HA -0.246 3.874 4.120 0.000 0.000 0.246 1348 V C 2.475 178.510 176.094 -0.097 0.000 1.049 1348 V CA 1.878 64.125 62.300 -0.087 0.000 1.024 1348 V CB -0.804 30.938 31.823 -0.136 0.000 0.648 1348 V HN 0.202 nan 8.190 nan 0.000 0.447 1349 A N -0.117 122.622 122.820 -0.135 0.000 1.933 1349 A HA -0.291 4.029 4.320 0.000 0.000 0.218 1349 A C 2.184 179.736 177.584 -0.053 0.000 1.175 1349 A CA 2.144 54.102 52.037 -0.131 0.000 0.628 1349 A CB -0.525 18.390 19.000 -0.142 0.000 0.814 1349 A HN 0.606 nan 8.150 nan 0.000 0.444 1350 Q N 0.231 120.019 119.800 -0.020 0.000 2.079 1350 Q HA -0.064 4.276 4.340 0.000 0.000 0.200 1350 Q C 1.744 177.772 176.000 0.045 0.000 0.974 1350 Q CA 1.798 57.616 55.803 0.025 0.000 0.840 1350 Q CB -0.638 28.122 28.738 0.037 0.000 0.898 1350 Q HN 0.615 nan 8.270 nan 0.000 0.430 1351 L N -0.512 120.735 121.223 0.040 0.000 2.046 1351 L HA -0.161 4.179 4.340 0.000 0.000 0.208 1351 L C 2.334 179.258 176.870 0.090 0.000 1.077 1351 L CA 1.011 55.892 54.840 0.069 0.000 0.747 1351 L CB -0.504 41.592 42.059 0.063 0.000 0.896 1351 L HN 0.148 nan 8.230 nan 0.000 0.432 1352 V N -0.447 119.487 119.914 0.032 0.000 2.358 1352 V HA -0.280 3.840 4.120 0.000 0.000 0.246 1352 V C 2.130 178.331 176.094 0.178 0.000 1.047 1352 V CA 1.819 64.143 62.300 0.040 0.000 1.035 1352 V CB -0.503 31.182 31.823 -0.230 0.000 0.658 1352 V HN 0.413 nan 8.190 nan 0.000 0.452 1353 D N -0.229 120.250 120.400 0.132 0.000 2.104 1353 D HA -0.203 4.437 4.640 0.000 0.000 0.194 1353 D C 2.188 178.619 176.300 0.219 0.000 0.994 1353 D CA 1.686 55.812 54.000 0.209 0.000 0.830 1353 D CB -0.153 40.729 40.800 0.137 0.000 0.959 1353 D HN 0.500 nan 8.370 nan 0.000 0.452 1354 E N 0.610 120.902 120.200 0.154 0.000 2.058 1354 E HA -0.124 4.226 4.350 0.000 0.000 0.194 1354 E C 1.908 178.589 176.600 0.134 0.000 0.997 1354 E CA 1.556 58.025 56.400 0.114 0.000 0.801 1354 E CB -0.343 29.409 29.700 0.086 0.000 0.746 1354 E HN 0.177 nan 8.360 nan 0.000 0.450 1355 A N -0.464 122.498 122.820 0.237 0.000 1.933 1355 A HA -0.142 4.178 4.320 0.000 0.000 0.218 1355 A C 2.125 179.958 177.584 0.415 0.000 1.175 1355 A CA 1.370 53.624 52.037 0.360 0.000 0.628 1355 A CB -0.941 18.339 19.000 0.467 0.000 0.814 1355 A HN 0.380 nan 8.150 nan 0.000 0.444 1356 F N 0.169 120.290 119.950 0.286 0.000 2.134 1356 F HA -0.201 4.326 4.527 0.000 0.000 0.299 1356 F C 2.787 178.692 175.800 0.176 0.000 1.097 1356 F CA 1.876 60.062 58.000 0.310 0.000 1.264 1356 F CB -0.117 39.035 39.000 0.253 0.000 1.001 1356 F HN 0.205 nan 8.300 nan 0.000 0.479 1357 Q N 0.074 120.025 119.800 0.251 0.000 2.084 1357 Q HA -0.154 4.186 4.340 0.000 0.000 0.202 1357 Q C 2.340 178.312 176.000 -0.047 0.000 0.978 1357 Q CA 1.545 57.404 55.803 0.094 0.000 0.844 1357 Q CB -0.456 28.317 28.738 0.057 0.000 0.898 1357 Q HN 0.434 nan 8.270 nan 0.000 0.426 1358 R N -1.215 119.160 120.500 -0.208 0.000 2.161 1358 R HA -0.009 4.331 4.340 0.000 0.000 0.213 1358 R C 1.163 177.115 176.300 -0.580 0.000 1.055 1358 R CA 0.897 56.688 56.100 -0.514 0.000 0.996 1358 R CB 0.251 29.977 30.300 -0.956 0.000 0.901 1358 R HN 0.350 nan 8.270 nan 0.000 0.456 1359 Y N -2.573 117.660 120.300 -0.112 0.000 2.425 1359 Y HA 0.248 4.798 4.550 0.000 0.000 0.261 1359 Y C 1.089 176.663 175.900 -0.544 0.000 1.084 1359 Y CA -0.319 57.570 58.100 -0.351 0.000 1.248 1359 Y CB 0.689 38.833 38.460 -0.527 0.000 1.270 1359 Y HN 0.034 nan 8.280 nan 0.000 0.524 1360 H N 0.260 119.289 119.070 -0.070 0.000 2.475 1360 H HA 0.519 5.075 4.556 0.000 0.000 0.276 1360 H C 0.847 176.140 175.328 -0.058 0.000 1.126 1360 H CA 0.591 56.514 56.048 -0.209 0.000 1.023 1360 H CB 0.534 29.824 29.762 -0.785 0.000 1.669 1360 H HN 0.442 nan 8.280 nan 0.000 0.573 1361 G N 0.000 108.838 108.800 0.063 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 45.151 45.100 0.085 0.000 0.502 1361 G HN 0.000 nan 8.290 nan 0.000 0.925