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 3lw0_1_D DATA FIRST_RESID 983 DATA SEQUENCE AADVYVPDEW EVAREKITMS RELGQGSFGM VYEGVAKGVV KDEPETRVAI DATA SEQUENCE KTVNEAASMR ERIEFLNEAS VMKEFNCHHV VRLLGVVSQG QPTLVIMELM DATA SEQUENCE TRGDLKSYLR SLRPXXXXXX XXXPPSLSKM IQMAGEIADG MAYLNANKFV DATA SEQUENCE HRDLAARNCM VAEDFTVKIG DFGMTRDIYE TDYYRKXXXG LLPVRWMSPE DATA SEQUENCE SLKDGVFTTY SDVWSFGVVL WEIATLAEQP YQGLSNEQVL RFVMEGGLLD DATA SEQUENCE KPDNCPDMLF ELMRMCWQYN PKMRPSFLEI ISSIKEEMEP GFREVSFYYS DATA SEQUENCE EENK 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 983 A HA 0.000 nan 4.320 nan 0.000 0.244 983 A C 0.000 177.597 177.584 0.022 0.000 1.274 983 A CA 0.000 52.041 52.037 0.007 0.000 0.836 983 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 984 A N 0.203 123.034 122.820 0.019 0.000 2.014 984 A HA 0.088 4.409 4.320 0.000 0.000 0.218 984 A C 1.334 178.936 177.584 0.031 0.000 1.163 984 A CA 2.126 54.178 52.037 0.025 0.000 0.652 984 A CB -0.347 18.665 19.000 0.019 0.000 0.808 984 A HN 0.420 nan 8.150 nan 0.000 0.449 985 D N -1.371 119.046 120.400 0.028 0.000 2.338 985 D HA 0.210 4.850 4.640 0.000 0.000 0.208 985 D C 0.099 176.423 176.300 0.040 0.000 0.997 985 D CA 0.708 54.726 54.000 0.030 0.000 0.880 985 D CB 0.600 41.412 40.800 0.021 0.000 0.980 985 D HN 0.194 nan 8.370 nan 0.000 0.509 986 V N 0.305 120.246 119.914 0.046 0.000 2.888 986 V HA 0.316 4.437 4.120 0.000 0.000 0.309 986 V C -1.384 174.767 176.094 0.095 0.000 1.114 986 V CA -1.252 61.085 62.300 0.061 0.000 0.940 986 V CB 2.406 34.246 31.823 0.028 0.000 1.021 986 V HN -0.036 nan 8.190 nan 0.000 0.426 987 Y N 2.903 123.200 120.300 -0.004 0.000 2.335 987 Y HA 0.739 5.289 4.550 0.000 0.000 0.338 987 Y C -0.534 175.367 175.900 0.001 0.000 0.977 987 Y CA -0.725 57.370 58.100 -0.007 0.000 1.114 987 Y CB 1.882 40.337 38.460 -0.008 0.000 1.182 987 Y HN 0.457 nan 8.280 nan 0.000 0.463 988 V N 9.059 128.631 119.914 -0.571 0.000 2.350 988 V HA 0.345 4.465 4.120 0.000 0.000 0.276 988 V C -2.069 173.722 176.094 -0.505 0.000 1.028 988 V CA -1.888 60.194 62.300 -0.363 0.000 0.860 988 V CB 0.897 32.580 31.823 -0.232 0.000 0.990 988 V HN 0.702 nan 8.190 nan 0.000 0.453 989 P HA 0.278 nan 4.420 nan 0.000 0.271 989 P C -1.091 176.207 177.300 -0.004 0.000 1.216 989 P CA 0.123 63.241 63.100 0.031 0.000 0.776 989 P CB 1.330 33.110 31.700 0.134 0.000 0.881 990 D N 0.985 121.426 120.400 0.067 0.000 3.096 990 D HA 0.051 4.691 4.640 0.000 0.000 0.277 990 D C 1.030 177.382 176.300 0.087 0.000 1.256 990 D CA -0.364 53.673 54.000 0.061 0.000 1.044 990 D CB -0.283 40.552 40.800 0.058 0.000 1.318 990 D HN 0.309 nan 8.370 nan 0.000 0.622 991 E N -0.173 120.057 120.200 0.050 0.000 2.338 991 E HA -0.134 4.216 4.350 0.000 0.000 0.197 991 E C 1.037 177.566 176.600 -0.120 0.000 1.007 991 E CA 0.659 57.019 56.400 -0.067 0.000 0.849 991 E CB -0.506 29.096 29.700 -0.165 0.000 0.774 991 E HN 0.558 nan 8.360 nan 0.000 0.506 992 W N 1.701 123.014 121.300 0.022 0.000 2.905 992 W HA 0.148 4.808 4.660 0.000 0.000 0.251 992 W C 0.737 177.284 176.519 0.047 0.000 1.305 992 W CA -0.264 57.102 57.345 0.034 0.000 1.465 992 W CB 0.077 29.566 29.460 0.048 0.000 1.122 992 W HN -0.018 nan 8.180 nan 0.000 0.659 993 E N 0.822 121.163 120.200 0.235 0.000 2.366 993 E HA 0.163 4.513 4.350 0.000 0.000 0.266 993 E C -0.541 176.121 176.600 0.103 0.000 1.015 993 E CA 0.151 56.652 56.400 0.168 0.000 0.906 993 E CB 0.561 30.343 29.700 0.138 0.000 0.979 993 E HN -0.228 nan 8.360 nan 0.000 0.443 994 V N 3.786 123.756 119.914 0.094 0.000 2.513 994 V HA 0.574 4.694 4.120 0.000 0.000 0.299 994 V C 0.083 176.203 176.094 0.043 0.000 1.035 994 V CA -0.821 61.514 62.300 0.059 0.000 0.889 994 V CB 1.590 33.450 31.823 0.062 0.000 0.988 994 V HN 0.890 nan 8.190 nan 0.000 0.440 995 A N 4.100 126.937 122.820 0.027 0.000 2.520 995 A HA 0.235 4.555 4.320 0.000 0.000 0.245 995 A C 1.434 179.026 177.584 0.014 0.000 1.072 995 A CA 0.242 52.290 52.037 0.018 0.000 0.761 995 A CB -0.128 18.878 19.000 0.010 0.000 1.004 995 A HN 1.049 nan 8.150 nan 0.000 0.499 996 R N 2.294 122.800 120.500 0.010 0.000 2.152 996 R HA -0.151 4.189 4.340 0.000 0.000 0.232 996 R C 1.348 177.644 176.300 -0.006 0.000 1.117 996 R CA 1.752 57.853 56.100 0.002 0.000 0.981 996 R CB -0.139 30.159 30.300 -0.002 0.000 0.870 996 R HN 0.830 nan 8.270 nan 0.000 0.451 997 E N 1.450 121.647 120.200 -0.006 0.000 2.333 997 E HA -0.193 4.157 4.350 0.000 0.000 0.198 997 E C 0.780 177.375 176.600 -0.008 0.000 1.007 997 E CA 1.075 57.469 56.400 -0.009 0.000 0.845 997 E CB -0.095 29.600 29.700 -0.007 0.000 0.766 997 E HN 0.502 nan 8.360 nan 0.000 0.507 998 K N 0.338 120.737 120.400 -0.003 0.000 2.404 998 K HA 0.170 4.490 4.320 0.000 0.000 0.194 998 K C 0.128 176.728 176.600 -0.001 0.000 1.023 998 K CA 0.004 56.290 56.287 -0.001 0.000 1.094 998 K CB 0.554 33.056 32.500 0.004 0.000 0.841 998 K HN 0.086 nan 8.250 nan 0.000 0.523 999 I N 2.065 122.632 120.570 -0.006 0.000 2.378 999 I HA 0.115 4.285 4.170 0.000 0.000 0.291 999 I C 0.274 176.375 176.117 -0.027 0.000 0.992 999 I CA -0.495 60.800 61.300 -0.010 0.000 1.154 999 I CB 1.254 39.249 38.000 -0.007 0.000 1.315 999 I HN -0.048 nan 8.210 nan 0.000 0.448 1000 T N 3.996 118.533 114.554 -0.027 0.000 2.841 1000 T HA 0.759 5.109 4.350 0.000 0.000 0.283 1000 T C -0.417 174.251 174.700 -0.054 0.000 1.000 1000 T CA -0.802 61.272 62.100 -0.044 0.000 0.977 1000 T CB 1.940 70.790 68.868 -0.030 0.000 0.979 1000 T HN 0.389 nan 8.240 nan 0.000 0.446 1001 M N 3.022 122.563 119.600 -0.099 0.000 2.268 1001 M HA 0.374 4.854 4.480 0.000 0.000 0.344 1001 M C 1.064 177.316 176.300 -0.080 0.000 1.106 1001 M CA -0.661 54.564 55.300 -0.125 0.000 1.010 1001 M CB 2.257 34.652 32.600 -0.341 0.000 1.649 1001 M HN 0.990 nan 8.290 nan 0.000 0.443 1002 S N 3.066 118.762 115.700 -0.008 0.000 2.545 1002 S HA 0.311 4.781 4.470 0.000 0.000 0.232 1002 S C 0.406 175.041 174.600 0.057 0.000 1.070 1002 S CA -0.328 57.882 58.200 0.016 0.000 0.923 1002 S CB 0.397 63.611 63.200 0.023 0.000 0.806 1002 S HN 0.793 nan 8.310 nan 0.000 0.506 1003 R N 0.053 120.627 120.500 0.124 0.000 2.712 1003 R HA 0.442 4.782 4.340 0.000 0.000 0.272 1003 R C -1.972 174.460 176.300 0.220 0.000 1.032 1003 R CA -0.877 55.316 56.100 0.155 0.000 0.874 1003 R CB 0.610 30.960 30.300 0.083 0.000 1.256 1003 R HN 0.081 nan 8.270 nan 0.000 0.468 1004 E N 1.175 121.448 120.200 0.123 0.000 2.338 1004 E HA 0.124 4.474 4.350 0.000 0.000 0.272 1004 E C 0.188 176.744 176.600 -0.074 0.000 1.029 1004 E CA -0.149 56.201 56.400 -0.083 0.000 0.872 1004 E CB 1.262 30.887 29.700 -0.125 0.000 1.015 1004 E HN 0.431 nan 8.360 nan 0.000 0.417 1005 L N 1.464 122.602 121.223 -0.143 0.000 2.388 1005 L HA 0.288 4.628 4.340 0.000 0.000 0.209 1005 L C 0.973 177.810 176.870 -0.055 0.000 1.061 1005 L CA 0.354 55.158 54.840 -0.059 0.000 0.834 1005 L CB 0.325 42.359 42.059 -0.042 0.000 1.029 1005 L HN 0.730 nan 8.230 nan 0.000 0.473 1006 G N -0.417 108.304 108.800 -0.133 0.000 2.350 1006 G HA2 0.077 4.037 3.960 0.000 0.000 0.304 1006 G HA3 0.077 4.037 3.960 0.000 0.000 0.304 1006 G C -1.767 173.067 174.900 -0.110 0.000 1.421 1006 G CA -0.793 44.253 45.100 -0.090 0.000 0.934 1006 G HN -0.128 nan 8.290 nan 0.000 0.632 1007 Q N 0.310 120.064 119.800 -0.077 0.000 2.271 1007 Q HA 0.541 4.881 4.340 0.000 0.000 0.273 1007 Q C 0.803 176.801 176.000 -0.004 0.000 1.051 1007 Q CA 1.039 56.805 55.803 -0.061 0.000 0.901 1007 Q CB 0.615 29.322 28.738 -0.053 0.000 1.174 1007 Q HN 1.142 nan 8.270 nan 0.000 0.385 1008 G N 1.534 110.344 108.800 0.018 0.000 2.537 1008 G HA2 0.291 4.252 3.960 0.000 0.000 0.297 1008 G HA3 0.291 4.252 3.960 0.000 0.000 0.297 1008 G C 0.521 175.450 174.900 0.048 0.000 1.310 1008 G CA -0.118 45.042 45.100 0.101 0.000 1.027 1008 G HN 0.802 nan 8.290 nan 0.000 0.505 1009 S N -1.424 114.303 115.700 0.044 0.000 2.453 1009 S HA 0.022 4.492 4.470 0.000 0.000 0.231 1009 S C 1.439 175.849 174.600 -0.318 0.000 1.005 1009 S CA 0.849 58.946 58.200 -0.172 0.000 0.949 1009 S CB -0.223 62.813 63.200 -0.273 0.000 0.774 1009 S HN 0.363 nan 8.310 nan 0.000 0.510 1010 F N 1.617 121.599 119.950 0.053 0.000 2.720 1010 F HA 0.552 5.080 4.527 0.000 0.000 0.301 1010 F C 1.429 177.174 175.800 -0.092 0.000 1.103 1010 F CA 0.255 58.253 58.000 -0.003 0.000 1.291 1010 F CB 0.921 39.960 39.000 0.065 0.000 1.086 1010 F HN 0.516 nan 8.300 nan 0.000 0.592 1011 G N -0.196 108.654 108.800 0.083 0.000 2.324 1011 G HA2 0.289 4.249 3.960 0.000 0.000 0.293 1011 G HA3 0.289 4.249 3.960 0.000 0.000 0.293 1011 G C -1.593 173.290 174.900 -0.028 0.000 1.297 1011 G CA -1.146 43.952 45.100 -0.002 0.000 0.853 1011 G HN -0.132 nan 8.290 nan 0.000 0.535 1012 M N 0.465 120.017 119.600 -0.080 0.000 2.252 1012 M HA 0.547 5.027 4.480 0.000 0.000 0.333 1012 M C -0.097 176.029 176.300 -0.289 0.000 1.111 1012 M CA 0.002 55.166 55.300 -0.227 0.000 1.140 1012 M CB 0.958 33.353 32.600 -0.342 0.000 1.538 1012 M HN 0.506 nan 8.290 nan 0.000 0.448 1013 V N 6.166 125.834 119.914 -0.409 0.000 2.513 1013 V HA 0.483 4.603 4.120 0.000 0.000 0.299 1013 V C -1.020 174.755 176.094 -0.532 0.000 1.035 1013 V CA -0.614 61.436 62.300 -0.418 0.000 0.889 1013 V CB 1.190 32.690 31.823 -0.539 0.000 0.988 1013 V HN 0.788 nan 8.190 nan 0.000 0.440 1014 Y N 1.029 121.231 120.300 -0.163 0.000 2.562 1014 Y HA 0.523 5.073 4.550 0.000 0.000 0.343 1014 Y C 0.303 176.148 175.900 -0.091 0.000 1.025 1014 Y CA -0.838 57.204 58.100 -0.097 0.000 1.082 1014 Y CB 1.583 40.004 38.460 -0.064 0.000 1.264 1014 Y HN 0.612 nan 8.280 nan 0.000 0.478 1015 E N 0.505 120.782 120.200 0.128 0.000 2.277 1015 E HA 0.632 4.982 4.350 0.000 0.000 0.274 1015 E C -0.320 176.327 176.600 0.078 0.000 1.022 1015 E CA -0.223 56.225 56.400 0.081 0.000 0.853 1015 E CB 1.141 30.881 29.700 0.067 0.000 1.086 1015 E HN 0.893 nan 8.360 nan 0.000 0.397 1016 G N 1.034 109.864 108.800 0.049 0.000 2.494 1016 G HA2 0.412 4.372 3.960 0.000 0.000 0.308 1016 G HA3 0.412 4.372 3.960 0.000 0.000 0.308 1016 G C -1.594 173.318 174.900 0.022 0.000 1.263 1016 G CA -0.444 44.672 45.100 0.026 0.000 0.840 1016 G HN 0.463 nan 8.290 nan 0.000 0.479 1017 V N 0.098 120.019 119.914 0.011 0.000 2.709 1017 V HA 0.802 4.922 4.120 0.000 0.000 0.308 1017 V C -0.139 175.961 176.094 0.010 0.000 1.062 1017 V CA -0.220 62.087 62.300 0.012 0.000 0.901 1017 V CB 1.473 33.300 31.823 0.007 0.000 1.003 1017 V HN 1.582 nan 8.190 nan 0.000 0.425 1018 A N 4.225 127.054 122.820 0.016 0.000 2.356 1018 A HA 0.766 5.087 4.320 0.000 0.000 0.310 1018 A C -0.546 177.045 177.584 0.013 0.000 1.075 1018 A CA -0.791 51.255 52.037 0.016 0.000 0.746 1018 A CB 1.134 20.151 19.000 0.028 0.000 1.221 1018 A HN 0.774 nan 8.150 nan 0.000 0.443 1019 K N 0.895 121.300 120.400 0.008 0.000 2.234 1019 K HA 0.496 4.816 4.320 0.000 0.000 0.282 1019 K C 0.873 177.475 176.600 0.002 0.000 1.039 1019 K CA 0.526 56.815 56.287 0.003 0.000 0.928 1019 K CB 1.078 33.578 32.500 -0.000 0.000 1.039 1019 K HN 1.575 nan 8.250 nan 0.000 0.470 1020 G N 1.149 109.948 108.800 -0.002 0.000 2.160 1020 G HA2 -0.249 3.711 3.960 0.000 0.000 0.244 1020 G HA3 -0.249 3.711 3.960 0.000 0.000 0.244 1020 G C 0.456 175.348 174.900 -0.014 0.000 1.022 1020 G CA 0.360 45.454 45.100 -0.010 0.000 0.741 1020 G HN 0.541 nan 8.290 nan 0.000 0.508 1021 V N -3.688 116.224 119.914 -0.002 0.000 3.643 1021 V HA 0.654 4.774 4.120 0.000 0.000 0.280 1021 V C 0.747 176.839 176.094 -0.003 0.000 1.351 1021 V CA 0.442 62.743 62.300 0.002 0.000 1.073 1021 V CB 0.823 32.666 31.823 0.034 0.000 0.863 1021 V HN 0.561 nan 8.190 nan 0.000 0.436 1022 V N 1.043 120.955 119.914 -0.004 0.000 2.638 1022 V HA 0.484 4.604 4.120 0.000 0.000 0.306 1022 V C -0.157 175.929 176.094 -0.013 0.000 1.052 1022 V CA -1.111 61.187 62.300 -0.004 0.000 0.885 1022 V CB 1.939 33.767 31.823 0.008 0.000 0.999 1022 V HN 0.351 nan 8.190 nan 0.000 0.424 1023 K N 3.483 123.873 120.400 -0.018 0.000 2.511 1023 K HA 0.015 4.335 4.320 0.000 0.000 0.280 1023 K C 0.627 177.220 176.600 -0.012 0.000 1.008 1023 K CA 1.141 57.416 56.287 -0.020 0.000 1.050 1023 K CB -0.168 32.321 32.500 -0.020 0.000 0.889 1023 K HN 0.763 nan 8.250 nan 0.000 0.484 1024 D N 1.860 122.252 120.400 -0.012 0.000 2.978 1024 D HA -0.195 4.445 4.640 0.000 0.000 0.205 1024 D C -0.936 175.361 176.300 -0.005 0.000 1.093 1024 D CA 1.298 55.293 54.000 -0.009 0.000 1.006 1024 D CB -0.700 40.096 40.800 -0.007 0.000 1.116 1024 D HN 0.758 nan 8.370 nan 0.000 0.419 1025 E N -0.013 120.184 120.200 -0.005 0.000 2.114 1025 E HA 0.257 4.607 4.350 0.000 0.000 0.266 1025 E C -1.769 174.829 176.600 -0.003 0.000 0.896 1025 E CA -1.749 54.650 56.400 -0.002 0.000 0.750 1025 E CB 1.637 31.338 29.700 0.002 0.000 1.121 1025 E HN -0.092 nan 8.360 nan 0.000 0.413 1026 P HA -0.183 nan 4.420 nan 0.000 0.216 1026 P C -0.526 176.774 177.300 -0.001 0.000 1.153 1026 P CA 1.408 64.506 63.100 -0.003 0.000 0.858 1026 P CB 0.340 32.038 31.700 -0.003 0.000 0.789 1027 E N -2.588 117.613 120.200 0.002 0.000 2.383 1027 E HA 0.520 4.870 4.350 0.000 0.000 0.275 1027 E C -1.017 175.588 176.600 0.008 0.000 0.918 1027 E CA -0.684 55.719 56.400 0.004 0.000 0.764 1027 E CB 2.115 31.817 29.700 0.004 0.000 1.252 1027 E HN -0.311 nan 8.360 nan 0.000 0.449 1028 T N 1.255 115.816 114.554 0.012 0.000 2.916 1028 T HA 0.338 4.688 4.350 0.000 0.000 0.298 1028 T C -0.552 174.160 174.700 0.020 0.000 1.031 1028 T CA -0.844 61.266 62.100 0.016 0.000 0.993 1028 T CB 1.146 70.026 68.868 0.020 0.000 1.045 1028 T HN 0.248 nan 8.240 nan 0.000 0.454 1029 R N 1.701 122.214 120.500 0.021 0.000 2.442 1029 R HA 0.526 4.867 4.340 0.000 0.000 0.291 1029 R C 0.073 176.394 176.300 0.036 0.000 1.069 1029 R CA -0.397 55.718 56.100 0.026 0.000 1.022 1029 R CB 0.356 30.670 30.300 0.023 0.000 0.976 1029 R HN 0.503 nan 8.270 nan 0.000 0.443 1030 V N -1.174 118.765 119.914 0.043 0.000 3.159 1030 V HA 0.858 4.979 4.120 0.000 0.000 0.308 1030 V C -0.594 175.538 176.094 0.063 0.000 1.190 1030 V CA -1.335 60.999 62.300 0.057 0.000 1.037 1030 V CB 2.006 33.861 31.823 0.054 0.000 1.060 1030 V HN 0.801 nan 8.190 nan 0.000 0.437 1031 A N 2.291 125.161 122.820 0.083 0.000 2.306 1031 A HA 0.916 5.236 4.320 0.000 0.000 0.314 1031 A C -0.519 177.065 177.584 -0.001 0.000 1.164 1031 A CA -0.645 51.415 52.037 0.039 0.000 0.822 1031 A CB 0.482 19.556 19.000 0.125 0.000 1.130 1031 A HN 0.960 nan 8.150 nan 0.000 0.496 1032 I N 2.515 123.057 120.570 -0.047 0.000 2.448 1032 I HA 0.234 4.404 4.170 0.000 0.000 0.281 1032 I C -0.185 175.923 176.117 -0.015 0.000 1.027 1032 I CA -0.308 60.999 61.300 0.012 0.000 1.111 1032 I CB 1.701 39.740 38.000 0.066 0.000 1.236 1032 I HN 0.593 nan 8.210 nan 0.000 0.452 1033 K N 4.150 124.552 120.400 0.003 0.000 2.144 1033 K HA 0.576 4.897 4.320 0.000 0.000 0.270 1033 K C 0.110 176.839 176.600 0.214 0.000 1.005 1033 K CA -0.469 55.865 56.287 0.079 0.000 0.932 1033 K CB 1.729 34.357 32.500 0.214 0.000 1.021 1033 K HN 0.658 nan 8.250 nan 0.000 0.462 1034 T N -2.355 112.268 114.554 0.115 0.000 2.916 1034 T HA 0.416 4.766 4.350 0.000 0.000 0.292 1034 T C -0.410 174.091 174.700 -0.332 0.000 1.055 1034 T CA -0.878 61.193 62.100 -0.049 0.000 1.009 1034 T CB 1.368 70.265 68.868 0.048 0.000 1.118 1034 T HN 0.143 nan 8.240 nan 0.000 0.497 1035 V N 3.595 123.170 119.914 -0.565 0.000 2.383 1035 V HA 0.349 4.469 4.120 0.000 0.000 0.275 1035 V C 0.992 176.956 176.094 -0.217 0.000 1.036 1035 V CA -1.055 60.931 62.300 -0.524 0.000 0.889 1035 V CB 0.967 32.393 31.823 -0.662 0.000 0.985 1035 V HN 0.995 nan 8.190 nan 0.000 0.459 1036 N N 3.633 122.263 118.700 -0.116 0.000 2.395 1036 N HA -0.033 4.707 4.740 0.000 0.000 0.246 1036 N C 1.427 176.901 175.510 -0.060 0.000 1.246 1036 N CA 0.363 53.376 53.050 -0.061 0.000 0.879 1036 N CB 0.986 39.452 38.487 -0.035 0.000 1.098 1036 N HN 0.909 nan 8.380 nan 0.000 0.444 1037 E N 2.464 122.639 120.200 -0.042 0.000 2.160 1037 E HA -0.190 4.160 4.350 0.000 0.000 0.195 1037 E C 1.259 177.842 176.600 -0.029 0.000 0.991 1037 E CA 1.419 57.797 56.400 -0.036 0.000 0.810 1037 E CB -0.174 29.511 29.700 -0.024 0.000 0.742 1037 E HN 0.590 nan 8.360 nan 0.000 0.466 1038 A N 1.364 124.170 122.820 -0.024 0.000 2.206 1038 A HA 0.340 4.660 4.320 0.000 0.000 0.211 1038 A C 1.381 178.956 177.584 -0.015 0.000 1.158 1038 A CA 0.464 52.491 52.037 -0.017 0.000 0.761 1038 A CB -0.354 18.637 19.000 -0.015 0.000 0.801 1038 A HN 0.408 nan 8.150 nan 0.000 0.473 1039 A N 0.764 123.573 122.820 -0.019 0.000 2.466 1039 A HA 0.475 4.795 4.320 0.000 0.000 0.238 1039 A C 1.012 178.595 177.584 -0.002 0.000 1.074 1039 A CA 0.324 52.358 52.037 -0.005 0.000 0.774 1039 A CB -0.093 18.904 19.000 -0.005 0.000 1.015 1039 A HN 1.009 nan 8.150 nan 0.000 0.498 1040 S N 2.043 117.751 115.700 0.014 0.000 2.624 1040 S HA 0.265 4.735 4.470 0.000 0.000 0.263 1040 S C 1.244 175.853 174.600 0.014 0.000 1.287 1040 S CA 0.234 58.443 58.200 0.014 0.000 0.990 1040 S CB 0.386 63.599 63.200 0.021 0.000 0.950 1040 S HN 0.953 nan 8.310 nan 0.000 0.561 1041 M N 0.655 120.263 119.600 0.013 0.000 2.080 1041 M HA -0.139 4.341 4.480 0.000 0.000 0.260 1041 M C 2.385 178.700 176.300 0.025 0.000 1.068 1041 M CA 1.838 57.147 55.300 0.014 0.000 1.109 1041 M CB -0.303 32.306 32.600 0.014 0.000 1.342 1041 M HN 0.853 nan 8.290 nan 0.000 0.405 1042 R N 0.035 120.556 120.500 0.034 0.000 2.096 1042 R HA -0.157 4.183 4.340 0.000 0.000 0.235 1042 R C 1.807 178.152 176.300 0.075 0.000 1.127 1042 R CA 2.118 58.246 56.100 0.048 0.000 0.968 1042 R CB -0.185 30.142 30.300 0.044 0.000 0.861 1042 R HN 0.587 nan 8.270 nan 0.000 0.440 1043 E N -0.310 119.947 120.200 0.094 0.000 2.106 1043 E HA -0.190 4.160 4.350 0.000 0.000 0.192 1043 E C 2.037 178.705 176.600 0.114 0.000 0.984 1043 E CA 0.825 57.337 56.400 0.187 0.000 0.806 1043 E CB -0.070 29.751 29.700 0.202 0.000 0.750 1043 E HN 0.257 nan 8.360 nan 0.000 0.458 1044 R N 0.868 121.382 120.500 0.022 0.000 2.091 1044 R HA -0.158 4.182 4.340 0.000 0.000 0.238 1044 R C 2.025 178.315 176.300 -0.016 0.000 1.136 1044 R CA 1.212 57.283 56.100 -0.048 0.000 0.959 1044 R CB -0.034 30.236 30.300 -0.051 0.000 0.856 1044 R HN 0.124 nan 8.270 nan 0.000 0.437 1045 I N 1.068 121.645 120.570 0.012 0.000 2.286 1045 I HA -0.182 3.988 4.170 0.000 0.000 0.245 1045 I C 2.347 178.462 176.117 -0.004 0.000 1.104 1045 I CA 1.230 62.541 61.300 0.019 0.000 1.397 1045 I CB -1.298 36.729 38.000 0.045 0.000 1.072 1045 I HN 0.383 nan 8.210 nan 0.000 0.417 1046 E N 0.898 121.111 120.200 0.021 0.000 2.058 1046 E HA -0.298 4.053 4.350 0.000 0.000 0.194 1046 E C 2.329 178.831 176.600 -0.163 0.000 0.997 1046 E CA 1.525 57.943 56.400 0.030 0.000 0.801 1046 E CB -0.264 29.567 29.700 0.219 0.000 0.746 1046 E HN 0.339 nan 8.360 nan 0.000 0.450 1047 F N 1.112 120.655 119.950 -0.677 0.000 2.095 1047 F HA -0.215 4.312 4.527 0.000 0.000 0.298 1047 F C 1.951 177.451 175.800 -0.500 0.000 1.104 1047 F CA 1.554 58.949 58.000 -1.009 0.000 1.232 1047 F CB -0.171 38.174 39.000 -1.091 0.000 0.987 1047 F HN 0.010 nan 8.300 nan 0.000 0.475 1048 L N 0.055 121.122 121.223 -0.259 0.000 2.109 1048 L HA -0.210 4.130 4.340 0.000 0.000 0.207 1048 L C 2.133 178.852 176.870 -0.252 0.000 1.086 1048 L CA 1.007 55.617 54.840 -0.383 0.000 0.760 1048 L CB -0.800 40.983 42.059 -0.460 0.000 0.910 1048 L HN 0.149 nan 8.230 nan 0.000 0.437 1049 N N 0.087 118.713 118.700 -0.122 0.000 2.309 1049 N HA -0.171 4.569 4.740 0.000 0.000 0.182 1049 N C 1.680 177.127 175.510 -0.106 0.000 1.018 1049 N CA 1.000 54.018 53.050 -0.054 0.000 0.876 1049 N CB -0.057 38.424 38.487 -0.010 0.000 0.972 1049 N HN 0.423 nan 8.380 nan 0.000 0.434 1050 E N 0.537 120.633 120.200 -0.173 0.000 2.106 1050 E HA -0.063 4.287 4.350 0.000 0.000 0.192 1050 E C 1.864 178.336 176.600 -0.214 0.000 0.984 1050 E CA 0.966 57.272 56.400 -0.157 0.000 0.806 1050 E CB -0.017 29.581 29.700 -0.170 0.000 0.750 1050 E HN 0.347 nan 8.360 nan 0.000 0.458 1051 A N 0.838 123.457 122.820 -0.335 0.000 1.898 1051 A HA -0.156 4.164 4.320 0.000 0.000 0.216 1051 A C 2.338 179.736 177.584 -0.310 0.000 1.181 1051 A CA 1.467 53.295 52.037 -0.350 0.000 0.620 1051 A CB -0.434 18.309 19.000 -0.429 0.000 0.819 1051 A HN 0.105 nan 8.150 nan 0.000 0.442 1052 S N -0.213 115.363 115.700 -0.206 0.000 2.370 1052 S HA -0.194 4.276 4.470 0.000 0.000 0.226 1052 S C 2.039 176.502 174.600 -0.228 0.000 1.033 1052 S CA 1.797 59.898 58.200 -0.164 0.000 1.011 1052 S CB -0.851 62.335 63.200 -0.023 0.000 0.852 1052 S HN 0.900 nan 8.310 nan 0.000 0.457 1053 V N -0.413 119.397 119.914 -0.173 0.000 2.594 1053 V HA -0.070 4.050 4.120 0.000 0.000 0.253 1053 V C 1.761 177.624 176.094 -0.385 0.000 1.069 1053 V CA 1.316 63.511 62.300 -0.174 0.000 1.082 1053 V CB -0.743 31.097 31.823 0.029 0.000 0.680 1053 V HN 0.362 nan 8.190 nan 0.000 0.469 1054 M N -0.122 119.270 119.600 -0.346 0.000 2.556 1054 M HA 0.161 4.641 4.480 0.000 0.000 0.245 1054 M C 1.856 177.868 176.300 -0.480 0.000 1.128 1054 M CA 0.638 55.713 55.300 -0.374 0.000 1.069 1054 M CB -0.927 31.569 32.600 -0.174 0.000 1.469 1054 M HN 0.438 nan 8.290 nan 0.000 0.494 1055 K N 0.731 120.789 120.400 -0.570 0.000 2.147 1055 K HA -0.181 4.139 4.320 0.000 0.000 0.205 1055 K C 1.854 178.320 176.600 -0.223 0.000 1.049 1055 K CA 1.151 57.072 56.287 -0.610 0.000 0.936 1055 K CB -0.071 32.054 32.500 -0.625 0.000 0.722 1055 K HN 0.431 nan 8.250 nan 0.000 0.446 1056 E N 0.150 120.109 120.200 -0.401 0.000 2.274 1056 E HA -0.092 4.258 4.350 0.000 0.000 0.194 1056 E C -0.417 176.120 176.600 -0.105 0.000 0.996 1056 E CA 0.386 56.591 56.400 -0.325 0.000 0.840 1056 E CB 0.237 29.582 29.700 -0.592 0.000 0.772 1056 E HN -0.004 nan 8.360 nan 0.000 0.491 1057 F N 0.750 120.731 119.950 0.051 0.000 2.399 1057 F HA 0.366 4.893 4.527 0.000 0.000 0.334 1057 F C 0.230 176.083 175.800 0.089 0.000 1.097 1057 F CA -1.272 56.806 58.000 0.131 0.000 1.076 1057 F CB 1.145 40.187 39.000 0.070 0.000 1.162 1057 F HN -0.167 nan 8.300 nan 0.000 0.495 1058 N N 1.867 120.731 118.700 0.273 0.000 2.732 1058 N HA 0.249 4.989 4.740 0.000 0.000 0.247 1058 N C -1.999 173.376 175.510 -0.224 0.000 1.305 1058 N CA -0.090 52.990 53.050 0.049 0.000 0.762 1058 N CB 0.793 39.345 38.487 0.108 0.000 1.361 1058 N HN 0.676 nan 8.380 nan 0.000 0.545 1059 C N 2.905 121.967 119.300 -0.397 0.000 2.547 1059 C HA 0.439 4.899 4.460 0.000 0.000 0.313 1059 C C 1.734 176.555 174.990 -0.280 0.000 1.191 1059 C CA -0.517 58.165 59.018 -0.560 0.000 1.474 1059 C CB 0.498 27.552 27.740 -1.143 0.000 2.081 1059 C HN 0.961 nan 8.230 nan 0.000 0.476 1060 H N 1.494 120.362 119.070 -0.336 0.000 2.422 1060 H HA -0.071 4.485 4.556 0.000 0.000 0.298 1060 H C 1.133 176.247 175.328 -0.356 0.000 1.098 1060 H CA 2.405 58.239 56.048 -0.356 0.000 1.315 1060 H CB 0.013 29.491 29.762 -0.474 0.000 1.382 1060 H HN 0.879 nan 8.280 nan 0.000 0.523 1061 H N -1.395 117.632 119.070 -0.072 0.000 2.505 1061 H HA 0.329 4.885 4.556 0.000 0.000 0.289 1061 H C -0.646 174.611 175.328 -0.118 0.000 1.052 1061 H CA -0.185 55.821 56.048 -0.071 0.000 1.156 1061 H CB 0.742 30.529 29.762 0.043 0.000 1.507 1061 H HN 0.014 nan 8.280 nan 0.000 0.548 1062 V N 1.478 121.334 119.914 -0.096 0.000 2.531 1062 V HA 0.120 4.240 4.120 0.000 0.000 0.301 1062 V C 0.068 176.102 176.094 -0.100 0.000 1.034 1062 V CA -1.135 61.102 62.300 -0.106 0.000 0.865 1062 V CB 2.335 34.059 31.823 -0.165 0.000 0.995 1062 V HN -0.025 nan 8.190 nan 0.000 0.424 1063 V N 5.513 125.383 119.914 -0.074 0.000 2.617 1063 V HA 0.080 4.200 4.120 0.000 0.000 0.304 1063 V C 0.849 176.925 176.094 -0.030 0.000 1.040 1063 V CA 0.181 62.447 62.300 -0.057 0.000 1.149 1063 V CB -0.029 31.760 31.823 -0.057 0.000 0.914 1063 V HN 0.769 nan 8.190 nan 0.000 0.487 1064 R N 3.451 123.945 120.500 -0.010 0.000 2.357 1064 R HA 0.405 4.745 4.340 0.000 0.000 0.296 1064 R C -0.374 175.952 176.300 0.044 0.000 1.052 1064 R CA -0.874 55.242 56.100 0.027 0.000 0.988 1064 R CB 0.920 31.247 30.300 0.046 0.000 1.025 1064 R HN 0.553 nan 8.270 nan 0.000 0.469 1065 L N 3.727 124.964 121.223 0.023 0.000 2.416 1065 L HA 0.061 4.401 4.340 0.000 0.000 0.272 1065 L C 0.213 177.200 176.870 0.194 0.000 1.161 1065 L CA 0.756 55.592 54.840 -0.006 0.000 0.845 1065 L CB 0.540 42.440 42.059 -0.265 0.000 1.119 1065 L HN 0.703 nan 8.230 nan 0.000 0.464 1066 L N 4.289 125.639 121.223 0.212 0.000 2.717 1066 L HA 0.549 4.889 4.340 0.000 0.000 0.239 1066 L C 0.796 177.886 176.870 0.366 0.000 1.086 1066 L CA 0.301 55.319 54.840 0.298 0.000 0.897 1066 L CB 0.282 42.436 42.059 0.157 0.000 1.214 1066 L HN 0.831 nan 8.230 nan 0.000 0.508 1067 G N -0.586 108.400 108.800 0.310 0.000 2.356 1067 G HA2 0.484 4.444 3.960 0.000 0.000 0.294 1067 G HA3 0.484 4.444 3.960 0.000 0.000 0.294 1067 G C -2.072 172.927 174.900 0.165 0.000 1.423 1067 G CA -0.432 44.854 45.100 0.309 0.000 0.806 1067 G HN -0.305 nan 8.290 nan 0.000 0.527 1068 V N -0.662 119.351 119.914 0.165 0.000 2.888 1068 V HA 0.667 4.787 4.120 0.000 0.000 0.309 1068 V C -0.638 175.508 176.094 0.087 0.000 1.114 1068 V CA -0.711 61.636 62.300 0.078 0.000 0.940 1068 V CB 2.094 33.954 31.823 0.062 0.000 1.021 1068 V HN 0.872 nan 8.190 nan 0.000 0.426 1069 V N 2.996 122.941 119.914 0.052 0.000 2.325 1069 V HA 0.363 4.483 4.120 0.000 0.000 0.280 1069 V C 0.649 176.758 176.094 0.025 0.000 1.016 1069 V CA 0.183 62.513 62.300 0.049 0.000 0.818 1069 V CB 1.330 33.175 31.823 0.037 0.000 1.019 1069 V HN 1.039 nan 8.190 nan 0.000 0.434 1070 S N 2.353 118.077 115.700 0.040 0.000 2.559 1070 S HA 0.255 4.725 4.470 0.000 0.000 0.226 1070 S C 0.372 175.004 174.600 0.052 0.000 1.000 1070 S CA -0.440 57.772 58.200 0.020 0.000 0.948 1070 S CB 0.283 63.512 63.200 0.048 0.000 0.870 1070 S HN 0.600 nan 8.310 nan 0.000 0.497 1071 Q N 1.863 121.693 119.800 0.050 0.000 2.290 1071 Q HA 0.600 4.940 4.340 0.000 0.000 0.259 1071 Q C 0.776 176.787 176.000 0.018 0.000 0.941 1071 Q CA 0.394 56.221 55.803 0.039 0.000 0.912 1071 Q CB 1.072 29.836 28.738 0.042 0.000 1.244 1071 Q HN 0.502 nan 8.270 nan 0.000 0.441 1072 G N 2.704 111.510 108.800 0.011 0.000 2.697 1072 G HA2 -0.217 3.743 3.960 0.000 0.000 0.240 1072 G HA3 -0.217 3.743 3.960 0.000 0.000 0.240 1072 G C -0.766 174.127 174.900 -0.013 0.000 1.346 1072 G CA -0.588 44.511 45.100 -0.001 0.000 0.887 1072 G HN 0.520 nan 8.290 nan 0.000 0.569 1073 Q N 0.186 119.974 119.800 -0.020 0.000 2.394 1073 Q HA 0.573 4.913 4.340 0.000 0.000 0.273 1073 Q C -2.102 173.878 176.000 -0.034 0.000 1.089 1073 Q CA -1.420 54.363 55.803 -0.033 0.000 0.812 1073 Q CB 2.242 30.960 28.738 -0.033 0.000 1.353 1073 Q HN 0.657 nan 8.270 nan 0.000 0.438 1074 P HA 0.190 nan 4.420 nan 0.000 0.276 1074 P C -0.643 176.618 177.300 -0.065 0.000 1.244 1074 P CA -0.316 62.747 63.100 -0.061 0.000 0.801 1074 P CB 0.495 32.160 31.700 -0.059 0.000 1.006 1075 T N 1.849 116.337 114.554 -0.110 0.000 2.870 1075 T HA 0.356 4.706 4.350 0.000 0.000 0.300 1075 T C 0.293 174.961 174.700 -0.052 0.000 0.989 1075 T CA -0.024 62.019 62.100 -0.095 0.000 1.139 1075 T CB -0.153 68.611 68.868 -0.173 0.000 0.920 1075 T HN 0.191 nan 8.240 nan 0.000 0.537 1076 L N 2.769 124.036 121.223 0.073 0.000 2.370 1076 L HA 0.784 5.124 4.340 0.000 0.000 0.266 1076 L C -0.647 176.338 176.870 0.193 0.000 1.002 1076 L CA -1.293 53.636 54.840 0.148 0.000 0.818 1076 L CB 2.045 44.146 42.059 0.070 0.000 1.325 1076 L HN 0.300 nan 8.230 nan 0.000 0.418 1077 V N 3.350 123.381 119.914 0.195 0.000 2.588 1077 V HA 0.472 4.592 4.120 0.000 0.000 0.304 1077 V C -0.388 175.730 176.094 0.039 0.000 1.042 1077 V CA -0.496 61.813 62.300 0.016 0.000 0.877 1077 V CB 2.453 34.137 31.823 -0.231 0.000 0.996 1077 V HN 0.403 nan 8.190 nan 0.000 0.425 1078 I N 5.481 126.075 120.570 0.040 0.000 2.354 1078 I HA 0.570 4.740 4.170 0.000 0.000 0.292 1078 I C -0.080 176.082 176.117 0.075 0.000 0.989 1078 I CA -0.322 61.016 61.300 0.064 0.000 1.188 1078 I CB 1.311 39.358 38.000 0.078 0.000 1.342 1078 I HN 0.537 nan 8.210 nan 0.000 0.457 1079 M N 3.495 123.153 119.600 0.096 0.000 2.619 1079 M HA 0.343 4.823 4.480 0.000 0.000 0.297 1079 M C 0.106 176.476 176.300 0.117 0.000 1.229 1079 M CA -0.753 54.620 55.300 0.120 0.000 0.860 1079 M CB 2.676 35.399 32.600 0.204 0.000 1.741 1079 M HN 0.503 nan 8.290 nan 0.000 0.462 1080 E N 1.843 122.098 120.200 0.092 0.000 2.529 1080 E HA 0.043 4.393 4.350 0.000 0.000 0.259 1080 E C -1.492 175.160 176.600 0.088 0.000 0.966 1080 E CA -0.201 56.239 56.400 0.067 0.000 0.937 1080 E CB 0.690 30.407 29.700 0.029 0.000 0.923 1080 E HN 0.460 nan 8.360 nan 0.000 0.468 1081 L N 5.604 126.871 121.223 0.074 0.000 2.290 1081 L HA 0.232 4.572 4.340 0.000 0.000 0.284 1081 L C -0.678 176.221 176.870 0.048 0.000 1.078 1081 L CA -0.027 54.867 54.840 0.089 0.000 0.815 1081 L CB 1.170 43.271 42.059 0.071 0.000 1.162 1081 L HN 0.604 nan 8.230 nan 0.000 0.435 1082 M N 4.901 124.536 119.600 0.058 0.000 2.060 1082 M HA 0.209 4.689 4.480 0.000 0.000 0.342 1082 M C 1.141 177.447 176.300 0.009 0.000 1.031 1082 M CA -0.265 55.037 55.300 0.004 0.000 0.981 1082 M CB 0.675 33.264 32.600 -0.019 0.000 1.376 1082 M HN 0.768 nan 8.290 nan 0.000 0.397 1083 T N -0.716 113.825 114.554 -0.021 0.000 2.962 1083 T HA -0.021 4.329 4.350 0.000 0.000 0.270 1083 T C 1.373 176.064 174.700 -0.015 0.000 1.088 1083 T CA 0.945 63.037 62.100 -0.013 0.000 1.127 1083 T CB 0.013 68.858 68.868 -0.037 0.000 0.883 1083 T HN 0.603 nan 8.240 nan 0.000 0.493 1084 R N 1.047 121.515 120.500 -0.054 0.000 2.334 1084 R HA 0.442 4.782 4.340 0.000 0.000 0.216 1084 R C 1.478 177.809 176.300 0.052 0.000 0.905 1084 R CA 0.204 56.288 56.100 -0.026 0.000 1.064 1084 R CB 0.079 30.277 30.300 -0.171 0.000 1.046 1084 R HN 0.558 nan 8.270 nan 0.000 0.508 1085 G N 2.326 111.156 108.800 0.049 0.000 2.642 1085 G HA2 -0.335 3.625 3.960 0.000 0.000 0.231 1085 G HA3 -0.335 3.625 3.960 0.000 0.000 0.231 1085 G C -0.749 174.196 174.900 0.075 0.000 1.338 1085 G CA -0.160 44.994 45.100 0.089 0.000 0.883 1085 G HN 0.528 nan 8.290 nan 0.000 0.570 1086 D N -0.651 119.815 120.400 0.109 0.000 2.362 1086 D HA 0.412 5.052 4.640 0.000 0.000 0.242 1086 D C 1.539 177.926 176.300 0.144 0.000 1.132 1086 D CA -0.152 53.908 54.000 0.100 0.000 0.907 1086 D CB 1.000 41.880 40.800 0.133 0.000 1.195 1086 D HN 0.724 nan 8.370 nan 0.000 0.429 1087 L N 1.964 123.249 121.223 0.103 0.000 2.093 1087 L HA -0.049 4.292 4.340 0.000 0.000 0.208 1087 L C 2.095 179.055 176.870 0.151 0.000 1.085 1087 L CA 1.703 56.625 54.840 0.137 0.000 0.755 1087 L CB -0.847 41.262 42.059 0.085 0.000 0.904 1087 L HN 0.702 nan 8.230 nan 0.000 0.435 1088 K N -1.018 119.426 120.400 0.074 0.000 2.032 1088 K HA -0.156 4.164 4.320 0.000 0.000 0.209 1088 K C 2.045 178.706 176.600 0.102 0.000 1.048 1088 K CA 1.786 58.073 56.287 -0.001 0.000 0.927 1088 K CB -0.145 32.179 32.500 -0.294 0.000 0.712 1088 K HN 0.367 nan 8.250 nan 0.000 0.441 1089 S N -0.140 115.696 115.700 0.227 0.000 2.368 1089 S HA -0.164 4.306 4.470 0.000 0.000 0.225 1089 S C 1.619 176.329 174.600 0.184 0.000 1.030 1089 S CA 1.234 59.593 58.200 0.265 0.000 0.999 1089 S CB -0.482 62.889 63.200 0.284 0.000 0.844 1089 S HN 0.426 nan 8.310 nan 0.000 0.459 1090 Y N 2.255 122.619 120.300 0.106 0.000 2.145 1090 Y HA -0.078 4.472 4.550 0.000 0.000 0.286 1090 Y C 1.909 177.854 175.900 0.076 0.000 1.145 1090 Y CA 1.261 59.419 58.100 0.096 0.000 1.148 1090 Y CB -0.479 38.044 38.460 0.105 0.000 0.981 1090 Y HN 0.125 nan 8.280 nan 0.000 0.507 1091 L N -0.191 121.090 121.223 0.097 0.000 2.042 1091 L HA -0.256 4.084 4.340 0.000 0.000 0.210 1091 L C 2.611 179.439 176.870 -0.071 0.000 1.076 1091 L CA 1.633 56.472 54.840 -0.001 0.000 0.749 1091 L CB -0.530 41.566 42.059 0.060 0.000 0.893 1091 L HN 0.145 nan 8.230 nan 0.000 0.432 1092 R N -0.209 120.282 120.500 -0.015 0.000 2.096 1092 R HA -0.145 4.195 4.340 0.000 0.000 0.235 1092 R C 2.575 178.847 176.300 -0.047 0.000 1.127 1092 R CA 1.578 57.674 56.100 -0.007 0.000 0.968 1092 R CB -0.463 29.874 30.300 0.063 0.000 0.861 1092 R HN 0.486 nan 8.270 nan 0.000 0.440 1093 S N 0.930 116.575 115.700 -0.091 0.000 2.442 1093 S HA -0.072 4.398 4.470 0.000 0.000 0.236 1093 S C 1.864 176.369 174.600 -0.158 0.000 1.007 1093 S CA 0.867 58.996 58.200 -0.118 0.000 0.965 1093 S CB -0.270 62.845 63.200 -0.141 0.000 0.773 1093 S HN 0.273 nan 8.310 nan 0.000 0.504 1094 L N 0.335 121.428 121.223 -0.216 0.000 2.554 1094 L HA 0.197 4.537 4.340 0.000 0.000 0.226 1094 L C 1.196 178.004 176.870 -0.104 0.000 1.137 1094 L CA 0.069 54.802 54.840 -0.178 0.000 0.863 1094 L CB -0.304 41.631 42.059 -0.206 0.000 0.985 1094 L HN 0.150 nan 8.230 nan 0.000 0.451 1095 R N 1.189 121.640 120.500 -0.082 0.000 2.539 1095 R HA 0.243 4.583 4.340 0.000 0.000 0.275 1095 R C -1.731 174.542 176.300 -0.045 0.000 1.077 1095 R CA -1.389 54.676 56.100 -0.058 0.000 1.097 1095 R CB -0.008 30.265 30.300 -0.044 0.000 1.018 1095 R HN -0.030 nan 8.270 nan 0.000 0.483 1107 P HA 0.235 nan 4.420 nan 0.000 0.261 1107 P C 0.566 177.835 177.300 -0.051 0.000 1.183 1107 P CA 0.234 63.306 63.100 -0.047 0.000 0.761 1107 P CB 0.502 32.185 31.700 -0.029 0.000 0.785 1108 S N 2.554 118.223 115.700 -0.052 0.000 2.569 1108 S HA -0.035 4.435 4.470 0.000 0.000 0.274 1108 S C 1.179 175.751 174.600 -0.047 0.000 1.353 1108 S CA -0.645 57.526 58.200 -0.048 0.000 1.023 1108 S CB 0.320 63.493 63.200 -0.046 0.000 0.876 1108 S HN 0.393 nan 8.310 nan 0.000 0.540 1109 L N 1.919 123.116 121.223 -0.044 0.000 2.043 1109 L HA -0.082 4.258 4.340 0.000 0.000 0.212 1109 L C 2.694 179.539 176.870 -0.043 0.000 1.075 1109 L CA 2.489 57.303 54.840 -0.043 0.000 0.752 1109 L CB -1.494 40.543 42.059 -0.038 0.000 0.891 1109 L HN 0.969 nan 8.230 nan 0.000 0.432 1110 S N -0.933 114.743 115.700 -0.040 0.000 2.359 1110 S HA -0.250 4.221 4.470 0.000 0.000 0.224 1110 S C 2.068 176.642 174.600 -0.043 0.000 1.035 1110 S CA 1.716 59.891 58.200 -0.041 0.000 1.018 1110 S CB -0.210 62.969 63.200 -0.035 0.000 0.876 1110 S HN 0.561 nan 8.310 nan 0.000 0.448 1111 K N 0.296 120.669 120.400 -0.045 0.000 2.032 1111 K HA -0.073 4.247 4.320 0.000 0.000 0.209 1111 K C 2.302 178.880 176.600 -0.036 0.000 1.048 1111 K CA 1.841 58.100 56.287 -0.046 0.000 0.927 1111 K CB -0.293 32.170 32.500 -0.061 0.000 0.712 1111 K HN 0.445 nan 8.250 nan 0.000 0.441 1112 M N 0.389 119.966 119.600 -0.039 0.000 2.159 1112 M HA -0.159 4.321 4.480 0.000 0.000 0.263 1112 M C 2.194 178.470 176.300 -0.039 0.000 1.063 1112 M CA 1.516 56.794 55.300 -0.037 0.000 1.110 1112 M CB -0.387 32.185 32.600 -0.047 0.000 1.374 1112 M HN 0.134 nan 8.290 nan 0.000 0.411 1113 I N 0.026 120.568 120.570 -0.047 0.000 2.226 1113 I HA -0.295 3.875 4.170 0.000 0.000 0.245 1113 I C 2.625 178.695 176.117 -0.079 0.000 1.100 1113 I CA 1.044 62.309 61.300 -0.059 0.000 1.374 1113 I CB -0.471 37.487 38.000 -0.069 0.000 1.057 1113 I HN 0.333 nan 8.210 nan 0.000 0.413 1114 Q N 0.227 119.985 119.800 -0.070 0.000 2.061 1114 Q HA -0.207 4.133 4.340 0.000 0.000 0.204 1114 Q C 2.223 178.196 176.000 -0.044 0.000 0.984 1114 Q CA 1.814 57.575 55.803 -0.071 0.000 0.846 1114 Q CB -0.513 28.213 28.738 -0.021 0.000 0.902 1114 Q HN 0.559 nan 8.270 nan 0.000 0.421 1115 M N -0.130 119.462 119.600 -0.013 0.000 2.117 1115 M HA -0.133 4.348 4.480 0.000 0.000 0.262 1115 M C 2.275 178.595 176.300 0.033 0.000 1.065 1115 M CA 1.536 56.843 55.300 0.013 0.000 1.114 1115 M CB -0.480 32.131 32.600 0.019 0.000 1.361 1115 M HN 0.205 nan 8.290 nan 0.000 0.408 1116 A N 0.720 123.561 122.820 0.034 0.000 1.883 1116 A HA -0.119 4.201 4.320 0.000 0.000 0.217 1116 A C 2.354 180.047 177.584 0.183 0.000 1.186 1116 A CA 2.156 54.282 52.037 0.148 0.000 0.624 1116 A CB -1.626 17.434 19.000 0.100 0.000 0.822 1116 A HN 0.560 nan 8.150 nan 0.000 0.444 1117 G N -0.742 108.043 108.800 -0.025 0.000 2.402 1117 G HA2 -0.182 3.778 3.960 0.000 0.000 0.216 1117 G HA3 -0.182 3.778 3.960 0.000 0.000 0.216 1117 G C 1.424 176.250 174.900 -0.123 0.000 1.162 1117 G CA 0.971 45.964 45.100 -0.179 0.000 0.777 1117 G HN 0.664 nan 8.290 nan 0.000 0.539 1118 E N 0.089 120.200 120.200 -0.147 0.000 2.058 1118 E HA -0.104 4.246 4.350 0.000 0.000 0.194 1118 E C 2.503 178.991 176.600 -0.186 0.000 0.997 1118 E CA 0.840 57.040 56.400 -0.333 0.000 0.801 1118 E CB -0.176 29.434 29.700 -0.148 0.000 0.746 1118 E HN 0.488 nan 8.360 nan 0.000 0.450 1119 I N 1.122 121.694 120.570 0.003 0.000 2.179 1119 I HA -0.267 3.903 4.170 0.000 0.000 0.242 1119 I C 2.575 178.679 176.117 -0.022 0.000 1.088 1119 I CA 1.008 62.353 61.300 0.074 0.000 1.357 1119 I CB -0.335 37.813 38.000 0.248 0.000 1.051 1119 I HN 0.082 nan 8.210 nan 0.000 0.409 1120 A N 0.227 123.038 122.820 -0.014 0.000 1.933 1120 A HA -0.303 4.017 4.320 0.000 0.000 0.218 1120 A C 1.969 179.473 177.584 -0.135 0.000 1.175 1120 A CA 2.388 54.279 52.037 -0.243 0.000 0.628 1120 A CB -0.731 18.149 19.000 -0.201 0.000 0.814 1120 A HN 0.467 nan 8.150 nan 0.000 0.444 1121 D N -0.941 119.476 120.400 0.029 0.000 2.117 1121 D HA -0.010 4.630 4.640 0.000 0.000 0.198 1121 D C 2.025 178.401 176.300 0.127 0.000 0.982 1121 D CA 1.556 55.676 54.000 0.200 0.000 0.828 1121 D CB -0.384 40.620 40.800 0.340 0.000 0.967 1121 D HN 0.294 nan 8.370 nan 0.000 0.464 1122 G N 0.126 108.950 108.800 0.040 0.000 2.418 1122 G HA2 -0.228 3.732 3.960 0.000 0.000 0.217 1122 G HA3 -0.228 3.732 3.960 0.000 0.000 0.217 1122 G C 1.523 176.338 174.900 -0.142 0.000 1.158 1122 G CA 0.729 45.828 45.100 -0.002 0.000 0.771 1122 G HN 0.171 nan 8.290 nan 0.000 0.545 1123 M N 1.160 120.559 119.600 -0.335 0.000 2.132 1123 M HA 0.068 4.548 4.480 0.000 0.000 0.263 1123 M C 3.023 179.033 176.300 -0.485 0.000 1.065 1123 M CA 1.219 56.147 55.300 -0.620 0.000 1.122 1123 M CB -1.260 30.443 32.600 -1.495 0.000 1.365 1123 M HN 0.319 nan 8.290 nan 0.000 0.411 1124 A N -0.608 122.037 122.820 -0.292 0.000 1.908 1124 A HA -0.235 4.085 4.320 0.000 0.000 0.218 1124 A C 2.163 179.609 177.584 -0.230 0.000 1.181 1124 A CA 1.614 53.670 52.037 0.031 0.000 0.627 1124 A CB -1.224 17.984 19.000 0.347 0.000 0.818 1124 A HN 0.517 nan 8.150 nan 0.000 0.445 1125 Y N 0.497 120.430 120.300 -0.612 0.000 2.097 1125 Y HA -0.216 4.335 4.550 0.000 0.000 0.282 1125 Y C 2.010 177.502 175.900 -0.680 0.000 1.152 1125 Y CA 2.060 59.498 58.100 -1.102 0.000 1.136 1125 Y CB -0.368 37.643 38.460 -0.749 0.000 0.975 1125 Y HN 0.223 nan 8.280 nan 0.000 0.498 1126 L N 0.253 121.204 121.223 -0.454 0.000 2.017 1126 L HA -0.285 4.055 4.340 0.000 0.000 0.208 1126 L C 2.214 178.936 176.870 -0.246 0.000 1.073 1126 L CA 2.042 56.588 54.840 -0.491 0.000 0.745 1126 L CB -0.763 41.141 42.059 -0.258 0.000 0.894 1126 L HN 0.351 nan 8.230 nan 0.000 0.432 1127 N N -0.328 118.298 118.700 -0.124 0.000 2.166 1127 N HA -0.173 4.567 4.740 0.000 0.000 0.186 1127 N C 1.864 177.339 175.510 -0.059 0.000 1.019 1127 N CA 0.953 53.999 53.050 -0.006 0.000 0.856 1127 N CB -0.118 38.434 38.487 0.108 0.000 0.993 1127 N HN 0.328 nan 8.380 nan 0.000 0.426 1128 A N 1.161 123.882 122.820 -0.164 0.000 1.969 1128 A HA -0.060 4.260 4.320 0.000 0.000 0.218 1128 A C 1.473 178.970 177.584 -0.145 0.000 1.169 1128 A CA 1.065 53.030 52.037 -0.120 0.000 0.635 1128 A CB -0.098 18.822 19.000 -0.134 0.000 0.810 1128 A HN 0.282 nan 8.150 nan 0.000 0.445 1129 N N 0.242 118.784 118.700 -0.264 0.000 2.346 1129 N HA 0.034 4.774 4.740 0.000 0.000 0.225 1129 N C -0.560 174.972 175.510 0.037 0.000 1.144 1129 N CA 0.060 53.028 53.050 -0.137 0.000 0.837 1129 N CB 0.365 38.705 38.487 -0.246 0.000 1.069 1129 N HN 0.170 nan 8.380 nan 0.000 0.487 1130 K N -0.118 120.298 120.400 0.026 0.000 3.129 1130 K HA -0.222 4.098 4.320 0.000 0.000 0.273 1130 K C -0.494 176.182 176.600 0.127 0.000 1.123 1130 K CA 0.567 56.892 56.287 0.063 0.000 0.800 1130 K CB -2.436 30.096 32.500 0.054 0.000 1.238 1130 K HN 0.305 nan 8.250 nan 0.000 0.492 1131 F N 0.644 120.577 119.950 -0.027 0.000 2.361 1131 F HA 0.370 4.897 4.527 0.000 0.000 0.364 1131 F C 0.139 175.934 175.800 -0.009 0.000 1.117 1131 F CA -0.980 57.019 58.000 -0.002 0.000 1.071 1131 F CB 1.076 40.063 39.000 -0.021 0.000 1.188 1131 F HN -0.153 nan 8.300 nan 0.000 0.464 1132 V N 6.932 126.697 119.914 -0.248 0.000 2.432 1132 V HA 0.066 4.186 4.120 0.000 0.000 0.275 1132 V C 1.170 177.088 176.094 -0.295 0.000 1.043 1132 V CA -0.313 61.913 62.300 -0.125 0.000 0.925 1132 V CB 1.019 32.805 31.823 -0.063 0.000 0.985 1132 V HN 0.829 nan 8.190 nan 0.000 0.466 1133 H N 5.344 124.377 119.070 -0.062 0.000 2.333 1133 H HA -0.018 4.539 4.556 0.000 0.000 0.302 1133 H C 1.574 176.848 175.328 -0.091 0.000 1.075 1133 H CA 2.078 58.134 56.048 0.015 0.000 1.348 1133 H CB 0.380 30.253 29.762 0.186 0.000 1.393 1133 H HN 0.745 nan 8.280 nan 0.000 0.509 1134 R N -0.960 119.639 120.500 0.164 0.000 3.749 1134 R HA -0.181 4.159 4.340 0.000 0.000 0.476 1134 R C -0.317 176.019 176.300 0.059 0.000 0.814 1134 R CA 1.328 57.368 56.100 -0.101 0.000 1.494 1134 R CB -1.509 28.409 30.300 -0.636 0.000 2.164 1134 R HN 0.339 nan 8.270 nan 0.000 0.473 1135 D N 0.215 120.850 120.400 0.391 0.000 3.007 1135 D HA 0.154 4.794 4.640 0.000 0.000 0.363 1135 D C -1.002 175.375 176.300 0.127 0.000 1.474 1135 D CA -0.450 53.719 54.000 0.282 0.000 0.767 1135 D CB 0.363 41.314 40.800 0.251 0.000 1.227 1135 D HN 0.056 nan 8.370 nan 0.000 0.471 1136 L N 1.628 122.829 121.223 -0.036 0.000 2.462 1136 L HA 0.595 4.935 4.340 0.000 0.000 0.272 1136 L C -0.412 176.439 176.870 -0.031 0.000 1.166 1136 L CA 0.466 55.185 54.840 -0.201 0.000 0.880 1136 L CB 0.380 42.414 42.059 -0.042 0.000 1.142 1136 L HN 0.242 nan 8.230 nan 0.000 0.473 1137 A N 3.818 126.569 122.820 -0.115 0.000 2.583 1137 A HA 0.649 4.969 4.320 0.000 0.000 0.292 1137 A C 0.417 177.955 177.584 -0.078 0.000 1.045 1137 A CA -0.173 51.741 52.037 -0.204 0.000 0.672 1137 A CB 0.133 18.594 19.000 -0.897 0.000 1.283 1137 A HN 1.096 nan 8.150 nan 0.000 0.419 1138 A N 0.854 123.694 122.820 0.033 0.000 1.940 1138 A HA -0.164 4.157 4.320 0.000 0.000 0.219 1138 A C 1.930 179.492 177.584 -0.037 0.000 1.176 1138 A CA 2.116 54.170 52.037 0.028 0.000 0.631 1138 A CB -0.645 18.403 19.000 0.080 0.000 0.814 1138 A HN 1.196 nan 8.150 nan 0.000 0.446 1139 R N -0.904 119.516 120.500 -0.133 0.000 2.241 1139 R HA -0.034 4.306 4.340 0.000 0.000 0.224 1139 R C 0.126 176.420 176.300 -0.010 0.000 1.101 1139 R CA 1.525 57.573 56.100 -0.087 0.000 0.995 1139 R CB -0.402 29.807 30.300 -0.153 0.000 0.870 1139 R HN 0.346 nan 8.270 nan 0.000 0.463 1140 N N 0.043 118.719 118.700 -0.041 0.000 2.275 1140 N HA 0.144 4.884 4.740 0.000 0.000 0.236 1140 N C -1.031 174.472 175.510 -0.012 0.000 1.154 1140 N CA -0.161 52.887 53.050 -0.003 0.000 0.866 1140 N CB 0.724 39.238 38.487 0.045 0.000 1.093 1140 N HN 0.140 nan 8.380 nan 0.000 0.515 1141 C N 0.756 120.046 119.300 -0.017 0.000 2.493 1141 C HA 0.624 5.084 4.460 0.000 0.000 0.326 1141 C C 0.267 175.246 174.990 -0.018 0.000 1.200 1141 C CA -0.788 58.223 59.018 -0.011 0.000 1.739 1141 C CB 1.224 28.970 27.740 0.011 0.000 2.300 1141 C HN 0.199 nan 8.230 nan 0.000 0.500 1142 M N 1.647 121.226 119.600 -0.034 0.000 2.662 1142 M HA 0.629 5.109 4.480 0.000 0.000 0.310 1142 M C -1.180 175.096 176.300 -0.041 0.000 1.204 1142 M CA -0.679 54.594 55.300 -0.044 0.000 0.891 1142 M CB 1.953 34.499 32.600 -0.090 0.000 1.732 1142 M HN 0.284 nan 8.290 nan 0.000 0.467 1143 V N 1.351 121.231 119.914 -0.057 0.000 2.409 1143 V HA 0.665 4.785 4.120 0.000 0.000 0.291 1143 V C 0.114 176.128 176.094 -0.133 0.000 1.020 1143 V CA -0.796 61.439 62.300 -0.107 0.000 0.848 1143 V CB 1.231 32.928 31.823 -0.210 0.000 0.990 1143 V HN 0.996 nan 8.190 nan 0.000 0.430 1144 A N 2.851 125.592 122.820 -0.132 0.000 2.259 1144 A HA 0.436 4.756 4.320 0.000 0.000 0.278 1144 A C 1.276 178.706 177.584 -0.258 0.000 1.107 1144 A CA -0.008 51.943 52.037 -0.143 0.000 0.828 1144 A CB 0.302 19.244 19.000 -0.098 0.000 1.111 1144 A HN 0.960 nan 8.150 nan 0.000 0.498 1145 E N -0.335 119.737 120.200 -0.213 0.000 2.118 1145 E HA -0.252 4.098 4.350 0.000 0.000 0.195 1145 E C 0.644 177.004 176.600 -0.401 0.000 0.992 1145 E CA 1.720 57.954 56.400 -0.277 0.000 0.804 1145 E CB -0.048 29.565 29.700 -0.145 0.000 0.741 1145 E HN 0.763 nan 8.360 nan 0.000 0.458 1146 D N -1.440 118.824 120.400 -0.227 0.000 2.319 1146 D HA -0.098 4.542 4.640 0.000 0.000 0.230 1146 D C 0.009 176.338 176.300 0.047 0.000 1.094 1146 D CA -0.087 53.859 54.000 -0.091 0.000 0.856 1146 D CB -0.381 40.437 40.800 0.031 0.000 0.915 1146 D HN 0.315 nan 8.370 nan 0.000 0.517 1147 F N -1.236 118.688 119.950 -0.045 0.000 2.656 1147 F HA -0.238 4.289 4.527 0.000 0.000 0.381 1147 F C 0.442 176.214 175.800 -0.047 0.000 0.603 1147 F CA 0.710 58.658 58.000 -0.087 0.000 1.335 1147 F CB -2.635 36.321 39.000 -0.074 0.000 1.836 1147 F HN -0.115 nan 8.300 nan 0.000 0.290 1148 T N 2.186 116.804 114.554 0.107 0.000 2.871 1148 T HA 0.374 4.724 4.350 0.000 0.000 0.296 1148 T C 0.546 175.283 174.700 0.061 0.000 0.998 1148 T CA -0.069 62.100 62.100 0.115 0.000 1.162 1148 T CB 1.021 69.954 68.868 0.108 0.000 0.947 1148 T HN 0.063 nan 8.240 nan 0.000 0.536 1149 V N 5.408 125.372 119.914 0.084 0.000 2.509 1149 V HA 0.409 4.530 4.120 0.000 0.000 0.284 1149 V C 0.345 176.481 176.094 0.069 0.000 1.047 1149 V CA -0.394 61.936 62.300 0.050 0.000 0.952 1149 V CB 1.126 32.975 31.823 0.045 0.000 0.988 1149 V HN 0.761 nan 8.190 nan 0.000 0.469 1150 K N 4.079 124.494 120.400 0.025 0.000 2.435 1150 K HA 0.589 4.909 4.320 0.000 0.000 0.251 1150 K C -1.273 175.325 176.600 -0.003 0.000 0.954 1150 K CA -1.013 55.286 56.287 0.019 0.000 0.820 1150 K CB 2.433 34.913 32.500 -0.035 0.000 1.292 1150 K HN 0.345 nan 8.250 nan 0.000 0.436 1151 I N 2.030 122.598 120.570 -0.003 0.000 2.533 1151 I HA 0.302 4.472 4.170 0.000 0.000 0.284 1151 I C 0.693 176.807 176.117 -0.006 0.000 1.109 1151 I CA 0.540 61.841 61.300 0.002 0.000 1.412 1151 I CB -0.259 37.747 38.000 0.010 0.000 1.396 1151 I HN 0.823 nan 8.210 nan 0.000 0.543 1152 G N 5.267 114.067 108.800 -0.000 0.000 2.384 1152 G HA2 0.489 4.449 3.960 0.000 0.000 0.300 1152 G HA3 0.489 4.449 3.960 0.000 0.000 0.300 1152 G C -1.851 172.968 174.900 -0.135 0.000 1.582 1152 G CA -0.787 44.279 45.100 -0.057 0.000 0.875 1152 G HN 0.825 nan 8.290 nan 0.000 0.628 1153 D N -1.724 118.556 120.400 -0.200 0.000 2.710 1153 D HA 0.555 5.195 4.640 0.000 0.000 0.276 1153 D C -0.741 175.406 176.300 -0.255 0.000 1.267 1153 D CA -0.778 53.047 54.000 -0.292 0.000 0.772 1153 D CB 0.553 41.321 40.800 -0.054 0.000 1.299 1153 D HN 0.254 nan 8.370 nan 0.000 0.421 1154 F N 0.479 120.479 119.950 0.082 0.000 2.639 1154 F HA 0.626 5.153 4.527 0.000 0.000 0.302 1154 F C 1.077 176.945 175.800 0.114 0.000 1.097 1154 F CA 0.077 58.133 58.000 0.092 0.000 1.294 1154 F CB 0.755 39.806 39.000 0.084 0.000 1.027 1154 F HN 0.868 nan 8.300 nan 0.000 0.550 1155 G N 1.211 110.135 108.800 0.207 0.000 3.439 1155 G HA2 -0.172 3.788 3.960 0.000 0.000 0.684 1155 G HA3 -0.172 3.788 3.960 0.000 0.000 0.684 1155 G C 0.133 175.081 174.900 0.080 0.000 1.005 1155 G CA -0.643 44.527 45.100 0.117 0.000 0.837 1155 G HN 0.010 nan 8.290 nan 0.000 0.470 1156 M N 2.561 122.191 119.600 0.050 0.000 2.383 1156 M HA 0.090 4.570 4.480 0.000 0.000 0.247 1156 M C 2.282 178.605 176.300 0.038 0.000 1.117 1156 M CA 1.161 56.528 55.300 0.112 0.000 0.995 1156 M CB -0.275 32.466 32.600 0.235 0.000 1.480 1156 M HN 0.909 nan 8.290 nan 0.000 0.485 1157 T N -2.815 111.625 114.554 -0.190 0.000 3.113 1157 T HA 0.114 4.464 4.350 0.000 0.000 0.256 1157 T C 1.567 176.186 174.700 -0.135 0.000 1.131 1157 T CA 0.427 62.311 62.100 -0.359 0.000 1.074 1157 T CB 0.096 68.635 68.868 -0.548 0.000 0.944 1157 T HN 0.370 nan 8.240 nan 0.000 0.516 1158 R N -0.200 120.254 120.500 -0.076 0.000 2.509 1158 R HA 0.379 4.719 4.340 0.000 0.000 0.297 1158 R C -0.177 176.106 176.300 -0.028 0.000 0.951 1158 R CA -0.055 56.011 56.100 -0.055 0.000 1.103 1158 R CB 0.477 30.728 30.300 -0.081 0.000 1.283 1158 R HN 0.340 nan 8.270 nan 0.000 0.534 1159 D N -0.124 120.268 120.400 -0.013 0.000 2.697 1159 D HA 0.142 4.783 4.640 0.000 0.000 0.214 1159 D C 1.203 177.463 176.300 -0.067 0.000 1.252 1159 D CA -0.534 53.441 54.000 -0.043 0.000 1.090 1159 D CB 0.716 41.483 40.800 -0.056 0.000 1.203 1159 D HN -0.056 nan 8.370 nan 0.000 0.626 1160 I N -1.180 119.274 120.570 -0.193 0.000 2.830 1160 I HA -0.020 4.150 4.170 0.000 0.000 0.263 1160 I C 0.394 176.378 176.117 -0.222 0.000 1.230 1160 I CA 0.960 62.109 61.300 -0.251 0.000 1.480 1160 I CB -0.252 37.525 38.000 -0.372 0.000 1.095 1160 I HN 0.177 nan 8.210 nan 0.000 0.455 1161 Y N 2.438 122.800 120.300 0.103 0.000 2.571 1161 Y HA 0.175 4.725 4.550 0.000 0.000 0.275 1161 Y C 2.117 178.135 175.900 0.196 0.000 1.179 1161 Y CA -0.780 57.397 58.100 0.128 0.000 1.242 1161 Y CB -1.022 37.499 38.460 0.103 0.000 1.126 1161 Y HN 0.408 nan 8.280 nan 0.000 0.524 1162 E N -0.295 120.060 120.200 0.258 0.000 2.171 1162 E HA -0.241 4.109 4.350 0.000 0.000 0.197 1162 E C 1.468 178.261 176.600 0.322 0.000 0.997 1162 E CA 1.908 58.469 56.400 0.269 0.000 0.810 1162 E CB -0.637 29.140 29.700 0.129 0.000 0.738 1162 E HN 0.433 nan 8.360 nan 0.000 0.467 1163 T N -1.470 113.236 114.554 0.254 0.000 3.163 1163 T HA -0.034 4.316 4.350 0.000 0.000 0.260 1163 T C 0.799 175.633 174.700 0.224 0.000 1.156 1163 T CA 0.727 62.961 62.100 0.223 0.000 1.072 1163 T CB -0.060 68.913 68.868 0.175 0.000 0.937 1163 T HN -0.000 nan 8.240 nan 0.000 0.528 1164 D N 0.435 120.959 120.400 0.207 0.000 2.363 1164 D HA 0.124 4.764 4.640 0.000 0.000 0.226 1164 D C -0.483 175.678 176.300 -0.231 0.000 1.020 1164 D CA 0.496 54.515 54.000 0.032 0.000 0.892 1164 D CB -0.101 40.545 40.800 -0.256 0.000 0.900 1164 D HN 0.558 nan 8.370 nan 0.000 0.531 1165 Y N -0.856 119.561 120.300 0.195 0.000 2.485 1165 Y HA 0.406 4.956 4.550 0.000 0.000 0.345 1165 Y C -0.634 175.415 175.900 0.248 0.000 0.998 1165 Y CA -1.403 56.814 58.100 0.194 0.000 1.059 1165 Y CB 1.399 39.930 38.460 0.117 0.000 1.234 1165 Y HN -0.228 nan 8.280 nan 0.000 0.461 1166 Y N 2.772 123.214 120.300 0.236 0.000 2.361 1166 Y HA 0.530 5.081 4.550 0.000 0.000 0.337 1166 Y C -0.987 174.992 175.900 0.132 0.000 0.965 1166 Y CA -1.980 56.209 58.100 0.149 0.000 1.091 1166 Y CB 1.392 39.918 38.460 0.109 0.000 1.182 1166 Y HN 0.658 nan 8.280 nan 0.000 0.450 1167 R N 6.643 127.041 120.500 -0.170 0.000 2.335 1167 R HA 0.305 4.645 4.340 0.000 0.000 0.302 1167 R C -0.660 175.354 176.300 -0.476 0.000 1.147 1167 R CA -0.415 55.525 56.100 -0.267 0.000 1.111 1167 R CB 0.510 30.761 30.300 -0.082 0.000 1.122 1167 R HN 0.850 nan 8.270 nan 0.000 0.557 1173 L N 0.474 121.698 121.223 0.001 0.000 2.360 1173 L HA 0.489 4.829 4.340 0.000 0.000 0.276 1173 L C -0.223 176.763 176.870 0.194 0.000 1.121 1173 L CA -0.228 54.654 54.840 0.070 0.000 0.845 1173 L CB 0.695 42.741 42.059 -0.021 0.000 1.143 1173 L HN 0.243 nan 8.230 nan 0.000 0.452 1174 L N 6.084 127.471 121.223 0.274 0.000 2.362 1174 L HA 0.424 4.764 4.340 0.000 0.000 0.275 1174 L C -2.078 175.007 176.870 0.359 0.000 0.998 1174 L CA -1.665 53.368 54.840 0.321 0.000 0.820 1174 L CB 2.266 44.475 42.059 0.249 0.000 1.270 1174 L HN 0.387 nan 8.230 nan 0.000 0.415 1175 P HA 0.013 nan 4.420 nan 0.000 0.225 1175 P C 1.038 178.531 177.300 0.322 0.000 1.813 1175 P CA -0.209 62.962 63.100 0.118 0.000 1.013 1175 P CB 0.310 32.018 31.700 0.013 0.000 1.961 1176 V N 1.162 121.244 119.914 0.279 0.000 2.469 1176 V HA -0.226 3.894 4.120 0.000 0.000 0.251 1176 V C 2.065 178.241 176.094 0.136 0.000 1.064 1176 V CA 1.283 63.702 62.300 0.199 0.000 1.066 1176 V CB -1.428 30.489 31.823 0.157 0.000 0.667 1176 V HN 0.168 nan 8.190 nan 0.000 0.461 1177 R N -1.126 119.483 120.500 0.181 0.000 2.316 1177 R HA 0.044 4.384 4.340 0.000 0.000 0.202 1177 R C 1.743 177.966 176.300 -0.129 0.000 1.029 1177 R CA 1.350 57.430 56.100 -0.032 0.000 1.018 1177 R CB -0.179 29.980 30.300 -0.236 0.000 0.888 1177 R HN 0.646 nan 8.270 nan 0.000 0.471 1178 W N -0.323 121.080 121.300 0.171 0.000 3.008 1178 W HA 0.293 4.953 4.660 0.000 0.000 0.355 1178 W C 0.087 176.802 176.519 0.326 0.000 1.095 1178 W CA -0.479 57.022 57.345 0.259 0.000 1.738 1178 W CB 0.328 29.901 29.460 0.188 0.000 1.091 1178 W HN -0.000 nan 8.180 nan 0.000 0.574 1179 M N 1.004 120.789 119.600 0.309 0.000 2.314 1179 M HA 0.108 4.588 4.480 0.000 0.000 0.342 1179 M C 1.069 177.080 176.300 -0.481 0.000 1.171 1179 M CA 0.051 55.390 55.300 0.066 0.000 1.098 1179 M CB 1.469 34.099 32.600 0.050 0.000 1.559 1179 M HN -0.267 nan 8.290 nan 0.000 0.459 1180 S N 2.232 117.505 115.700 -0.712 0.000 2.593 1180 S HA 0.243 4.714 4.470 0.000 0.000 0.269 1180 S C -2.101 171.920 174.600 -0.965 0.000 1.334 1180 S CA -1.111 56.285 58.200 -1.340 0.000 1.015 1180 S CB 0.354 63.159 63.200 -0.658 0.000 0.912 1180 S HN 0.457 nan 8.310 nan 0.000 0.541 1181 P HA -0.180 nan 4.420 nan 0.000 0.216 1181 P C 1.633 178.637 177.300 -0.493 0.000 1.153 1181 P CA 1.490 64.169 63.100 -0.702 0.000 0.858 1181 P CB -0.093 31.076 31.700 -0.886 0.000 0.789 1182 E N -0.327 119.578 120.200 -0.492 0.000 2.152 1182 E HA -0.078 4.272 4.350 0.000 0.000 0.192 1182 E C 1.685 178.103 176.600 -0.303 0.000 0.983 1182 E CA 1.300 57.506 56.400 -0.324 0.000 0.818 1182 E CB -1.175 28.370 29.700 -0.259 0.000 0.758 1182 E HN 0.143 nan 8.360 nan 0.000 0.467 1183 S N 1.370 116.838 115.700 -0.387 0.000 2.383 1183 S HA 0.016 4.486 4.470 0.000 0.000 0.227 1183 S C 2.160 176.546 174.600 -0.357 0.000 1.026 1183 S CA 0.828 58.737 58.200 -0.486 0.000 0.981 1183 S CB -0.288 62.483 63.200 -0.716 0.000 0.818 1183 S HN 0.193 nan 8.310 nan 0.000 0.472 1184 L N 1.311 122.358 121.223 -0.293 0.000 2.083 1184 L HA -0.124 4.216 4.340 0.000 0.000 0.209 1184 L C 2.562 179.350 176.870 -0.137 0.000 1.083 1184 L CA 1.256 55.987 54.840 -0.182 0.000 0.752 1184 L CB -0.362 41.585 42.059 -0.187 0.000 0.899 1184 L HN 0.273 nan 8.230 nan 0.000 0.433 1185 K N 0.016 120.321 120.400 -0.159 0.000 2.044 1185 K HA -0.167 4.153 4.320 0.000 0.000 0.204 1185 K C 1.258 177.802 176.600 -0.093 0.000 1.049 1185 K CA 1.761 57.983 56.287 -0.108 0.000 0.945 1185 K CB 0.160 32.598 32.500 -0.104 0.000 0.724 1185 K HN 0.385 nan 8.250 nan 0.000 0.440 1186 D N -2.310 118.018 120.400 -0.120 0.000 2.500 1186 D HA 0.088 4.728 4.640 0.000 0.000 0.217 1186 D C 0.835 177.077 176.300 -0.097 0.000 1.159 1186 D CA 0.605 54.551 54.000 -0.091 0.000 0.828 1186 D CB 0.564 41.317 40.800 -0.077 0.000 1.039 1186 D HN 0.344 nan 8.370 nan 0.000 0.512 1187 G N 0.220 108.926 108.800 -0.157 0.000 2.155 1187 G HA2 -0.244 3.716 3.960 0.000 0.000 0.257 1187 G HA3 -0.244 3.716 3.960 0.000 0.000 0.257 1187 G C 0.102 174.908 174.900 -0.157 0.000 0.983 1187 G CA 0.510 45.527 45.100 -0.138 0.000 0.676 1187 G HN 0.412 nan 8.290 nan 0.000 0.528 1188 V N 0.425 120.200 119.914 -0.232 0.000 2.481 1188 V HA 0.758 4.878 4.120 0.000 0.000 0.286 1188 V C 0.110 176.014 176.094 -0.318 0.000 1.042 1188 V CA -0.623 61.605 62.300 -0.120 0.000 0.928 1188 V CB 1.306 33.099 31.823 -0.049 0.000 0.986 1188 V HN 0.191 nan 8.190 nan 0.000 0.462 1189 F N 2.185 122.137 119.950 0.004 0.000 2.480 1189 F HA 0.757 5.284 4.527 0.000 0.000 0.329 1189 F C 0.574 176.373 175.800 -0.001 0.000 1.091 1189 F CA -0.398 57.612 58.000 0.016 0.000 0.972 1189 F CB 2.259 41.273 39.000 0.024 0.000 1.150 1189 F HN 0.617 nan 8.300 nan 0.000 0.467 1190 T N -3.707 110.940 114.554 0.155 0.000 2.812 1190 T HA 0.283 4.633 4.350 0.000 0.000 0.294 1190 T C 0.838 175.534 174.700 -0.007 0.000 1.159 1190 T CA -0.092 62.013 62.100 0.010 0.000 1.008 1190 T CB 1.183 70.018 68.868 -0.056 0.000 1.289 1190 T HN 0.638 nan 8.240 nan 0.000 0.514 1191 T N -1.011 113.434 114.554 -0.183 0.000 2.759 1191 T HA -0.181 4.169 4.350 0.000 0.000 0.269 1191 T C 1.509 176.187 174.700 -0.036 0.000 1.042 1191 T CA 1.485 63.533 62.100 -0.086 0.000 1.140 1191 T CB -1.061 67.720 68.868 -0.144 0.000 0.864 1191 T HN 0.638 nan 8.240 nan 0.000 0.455 1192 Y N 2.953 123.304 120.300 0.084 0.000 2.224 1192 Y HA -0.045 4.505 4.550 0.000 0.000 0.289 1192 Y C 3.199 179.174 175.900 0.125 0.000 1.146 1192 Y CA 0.627 58.763 58.100 0.061 0.000 1.182 1192 Y CB -1.181 37.303 38.460 0.039 0.000 0.983 1192 Y HN 0.494 nan 8.280 nan 0.000 0.524 1193 S N -0.853 115.008 115.700 0.269 0.000 2.436 1193 S HA -0.121 4.349 4.470 0.000 0.000 0.228 1193 S C 1.514 176.344 174.600 0.383 0.000 1.014 1193 S CA 0.977 59.343 58.200 0.277 0.000 0.950 1193 S CB -0.340 62.946 63.200 0.144 0.000 0.784 1193 S HN 0.303 nan 8.310 nan 0.000 0.504 1194 D N 1.866 122.484 120.400 0.364 0.000 2.123 1194 D HA -0.048 4.592 4.640 0.000 0.000 0.196 1194 D C 2.059 178.656 176.300 0.495 0.000 0.992 1194 D CA 0.982 55.261 54.000 0.464 0.000 0.833 1194 D CB -0.499 40.619 40.800 0.531 0.000 0.954 1194 D HN 0.323 nan 8.370 nan 0.000 0.455 1195 V N 0.856 120.893 119.914 0.205 0.000 2.343 1195 V HA -0.196 3.924 4.120 0.000 0.000 0.247 1195 V C 2.176 178.438 176.094 0.280 0.000 1.051 1195 V CA 1.231 63.502 62.300 -0.048 0.000 1.036 1195 V CB -0.460 31.186 31.823 -0.296 0.000 0.654 1195 V HN 0.391 nan 8.190 nan 0.000 0.451 1196 W N 1.262 122.692 121.300 0.216 0.000 2.317 1196 W HA -0.264 4.397 4.660 0.000 0.000 0.318 1196 W C 2.551 179.325 176.519 0.425 0.000 1.227 1196 W CA 2.440 59.982 57.345 0.328 0.000 1.269 1196 W CB -0.687 28.918 29.460 0.242 0.000 1.155 1196 W HN 0.337 nan 8.180 nan 0.000 0.484 1197 S N 0.681 116.804 115.700 0.705 0.000 2.383 1197 S HA -0.257 4.214 4.470 0.000 0.000 0.229 1197 S C 1.553 176.468 174.600 0.524 0.000 1.030 1197 S CA 1.691 60.276 58.200 0.643 0.000 1.002 1197 S CB -1.134 62.417 63.200 0.584 0.000 0.829 1197 S HN 0.351 nan 8.310 nan 0.000 0.467 1198 F N 2.627 122.789 119.950 0.354 0.000 2.126 1198 F HA -0.075 4.452 4.527 0.000 0.000 0.299 1198 F C 2.274 178.167 175.800 0.154 0.000 1.096 1198 F CA 1.315 59.485 58.000 0.283 0.000 1.255 1198 F CB -0.966 38.263 39.000 0.382 0.000 0.997 1198 F HN 0.219 nan 8.300 nan 0.000 0.479 1199 G N -0.098 108.731 108.800 0.047 0.000 2.442 1199 G HA2 -0.224 3.736 3.960 0.000 0.000 0.219 1199 G HA3 -0.224 3.736 3.960 0.000 0.000 0.219 1199 G C 1.705 176.642 174.900 0.061 0.000 1.141 1199 G CA 1.257 46.166 45.100 -0.318 0.000 0.763 1199 G HN 0.356 nan 8.290 nan 0.000 0.554 1200 V N 0.607 120.745 119.914 0.374 0.000 2.343 1200 V HA -0.168 3.952 4.120 0.000 0.000 0.247 1200 V C 3.005 179.271 176.094 0.286 0.000 1.051 1200 V CA 1.425 63.912 62.300 0.311 0.000 1.036 1200 V CB -0.502 31.349 31.823 0.048 0.000 0.654 1200 V HN 0.249 nan 8.190 nan 0.000 0.451 1201 V N 0.010 120.059 119.914 0.225 0.000 2.332 1201 V HA -0.269 3.851 4.120 0.000 0.000 0.248 1201 V C 2.365 178.455 176.094 -0.006 0.000 1.055 1201 V CA 1.983 64.370 62.300 0.144 0.000 1.038 1201 V CB -0.616 31.240 31.823 0.056 0.000 0.651 1201 V HN 0.451 nan 8.190 nan 0.000 0.450 1202 L N -1.544 119.559 121.223 -0.200 0.000 2.042 1202 L HA -0.252 4.088 4.340 0.000 0.000 0.210 1202 L C 2.332 179.207 176.870 0.008 0.000 1.076 1202 L CA 2.377 57.104 54.840 -0.189 0.000 0.749 1202 L CB -0.606 41.257 42.059 -0.327 0.000 0.893 1202 L HN 0.516 nan 8.230 nan 0.000 0.432 1203 W N 1.350 122.620 121.300 -0.050 0.000 2.358 1203 W HA -0.181 4.479 4.660 0.000 0.000 0.303 1203 W C 2.451 178.970 176.519 -0.001 0.000 1.208 1203 W CA 1.616 58.978 57.345 0.029 0.000 1.274 1203 W CB 0.035 29.587 29.460 0.153 0.000 1.138 1203 W HN 0.096 nan 8.180 nan 0.000 0.515 1204 E N 0.205 120.576 120.200 0.284 0.000 2.058 1204 E HA -0.276 4.074 4.350 0.000 0.000 0.194 1204 E C 2.086 178.666 176.600 -0.034 0.000 0.997 1204 E CA 1.963 58.442 56.400 0.133 0.000 0.801 1204 E CB -0.593 29.259 29.700 0.253 0.000 0.746 1204 E HN 0.367 nan 8.360 nan 0.000 0.450 1205 I N 1.224 121.783 120.570 -0.018 0.000 2.163 1205 I HA -0.297 3.873 4.170 0.000 0.000 0.243 1205 I C 2.500 178.549 176.117 -0.113 0.000 1.085 1205 I CA 1.190 62.462 61.300 -0.047 0.000 1.347 1205 I CB -0.290 37.685 38.000 -0.041 0.000 1.044 1205 I HN 0.086 nan 8.210 nan 0.000 0.408 1206 A N 0.032 122.749 122.820 -0.172 0.000 2.066 1206 A HA -0.136 4.184 4.320 0.000 0.000 0.218 1206 A C 2.104 179.489 177.584 -0.331 0.000 1.157 1206 A CA 1.864 53.765 52.037 -0.228 0.000 0.670 1206 A CB -0.795 18.072 19.000 -0.222 0.000 0.804 1206 A HN 0.535 nan 8.150 nan 0.000 0.453 1207 T N -3.395 110.889 114.554 -0.450 0.000 3.092 1207 T HA 0.437 4.787 4.350 0.000 0.000 0.258 1207 T C 0.446 174.983 174.700 -0.272 0.000 1.031 1207 T CA 0.064 61.874 62.100 -0.483 0.000 0.925 1207 T CB -0.629 67.699 68.868 -0.900 0.000 1.036 1207 T HN 0.520 nan 8.240 nan 0.000 0.544 1208 L N 0.630 121.745 121.223 -0.180 0.000 3.739 1208 L HA -0.255 4.085 4.340 0.000 0.000 0.442 1208 L C 0.935 177.764 176.870 -0.069 0.000 1.241 1208 L CA 0.163 54.943 54.840 -0.100 0.000 0.819 1208 L CB -2.526 39.478 42.059 -0.092 0.000 1.679 1208 L HN 0.755 nan 8.230 nan 0.000 0.889 1209 A N -0.942 121.842 122.820 -0.059 0.000 2.800 1209 A HA -0.195 4.125 4.320 0.000 0.000 0.292 1209 A C 0.789 178.399 177.584 0.043 0.000 1.474 1209 A CA 1.447 53.498 52.037 0.024 0.000 0.744 1209 A CB -1.336 17.685 19.000 0.035 0.000 1.044 1209 A HN 0.704 nan 8.150 nan 0.000 0.489 1210 E N -0.521 119.672 120.200 -0.011 0.000 2.422 1210 E HA 0.201 4.551 4.350 0.000 0.000 0.260 1210 E C 0.480 177.229 176.600 0.249 0.000 1.108 1210 E CA -0.127 56.322 56.400 0.080 0.000 0.943 1210 E CB 0.289 29.996 29.700 0.012 0.000 0.961 1210 E HN 0.572 nan 8.360 nan 0.000 0.443 1211 Q N 2.050 121.971 119.800 0.202 0.000 2.293 1211 Q HA 0.121 4.462 4.340 0.000 0.000 0.263 1211 Q C -2.402 173.649 176.000 0.084 0.000 1.002 1211 Q CA -1.525 54.377 55.803 0.165 0.000 0.910 1211 Q CB 0.733 29.547 28.738 0.126 0.000 1.185 1211 Q HN 0.063 nan 8.270 nan 0.000 0.401 1212 P HA -0.041 nan 4.420 nan 0.000 0.268 1212 P C -1.218 175.814 177.300 -0.447 0.000 1.204 1212 P CA 0.300 62.949 63.100 -0.752 0.000 0.768 1212 P CB 0.211 31.286 31.700 -1.041 0.000 0.842 1213 Y N -0.849 119.191 120.300 -0.434 0.000 3.689 1213 Y HA -0.258 4.292 4.550 0.000 0.000 0.221 1213 Y C 0.872 176.648 175.900 -0.206 0.000 1.247 1213 Y CA 0.303 58.205 58.100 -0.330 0.000 1.671 1213 Y CB -2.798 35.456 38.460 -0.344 0.000 1.521 1213 Y HN 0.432 nan 8.280 nan 0.000 0.632 1214 Q N 0.913 120.690 119.800 -0.038 0.000 2.283 1214 Q HA 0.286 4.626 4.340 0.000 0.000 0.301 1214 Q C 1.476 177.460 176.000 -0.027 0.000 1.063 1214 Q CA 1.673 57.475 55.803 -0.002 0.000 0.952 1214 Q CB 0.288 29.046 28.738 0.034 0.000 1.166 1214 Q HN 0.822 nan 8.270 nan 0.000 0.381 1215 G N 3.042 111.827 108.800 -0.026 0.000 2.254 1215 G HA2 -0.229 3.731 3.960 0.000 0.000 0.225 1215 G HA3 -0.229 3.731 3.960 0.000 0.000 0.225 1215 G C -0.137 174.724 174.900 -0.066 0.000 1.003 1215 G CA -0.016 45.058 45.100 -0.042 0.000 0.622 1215 G HN 0.538 nan 8.290 nan 0.000 0.507 1216 L N 2.576 123.748 121.223 -0.084 0.000 2.307 1216 L HA 0.573 4.913 4.340 0.000 0.000 0.282 1216 L C 1.421 178.231 176.870 -0.099 0.000 1.051 1216 L CA -0.184 54.587 54.840 -0.114 0.000 0.804 1216 L CB 1.602 43.555 42.059 -0.176 0.000 1.197 1216 L HN 0.467 nan 8.230 nan 0.000 0.431 1217 S N 1.747 117.384 115.700 -0.105 0.000 2.596 1217 S HA 0.074 4.545 4.470 0.000 0.000 0.260 1217 S C 0.967 175.453 174.600 -0.190 0.000 1.336 1217 S CA -0.587 57.540 58.200 -0.123 0.000 0.993 1217 S CB 0.720 63.854 63.200 -0.111 0.000 0.923 1217 S HN 0.614 nan 8.310 nan 0.000 0.567 1218 N N 1.374 119.907 118.700 -0.278 0.000 2.104 1218 N HA -0.115 4.625 4.740 0.000 0.000 0.190 1218 N C 1.592 176.846 175.510 -0.427 0.000 1.024 1218 N CA 1.395 54.180 53.050 -0.441 0.000 0.853 1218 N CB -0.545 37.404 38.487 -0.896 0.000 1.008 1218 N HN 0.663 nan 8.380 nan 0.000 0.424 1219 E N 1.222 121.194 120.200 -0.380 0.000 2.150 1219 E HA -0.122 4.228 4.350 0.000 0.000 0.193 1219 E C 1.891 178.414 176.600 -0.128 0.000 0.985 1219 E CA 0.697 56.980 56.400 -0.195 0.000 0.814 1219 E CB -0.104 29.537 29.700 -0.099 0.000 0.752 1219 E HN 0.532 nan 8.360 nan 0.000 0.466 1220 Q N 0.096 119.816 119.800 -0.134 0.000 2.119 1220 Q HA -0.086 4.254 4.340 0.000 0.000 0.201 1220 Q C 2.344 178.270 176.000 -0.123 0.000 0.972 1220 Q CA 1.036 56.776 55.803 -0.104 0.000 0.847 1220 Q CB 0.059 28.730 28.738 -0.110 0.000 0.903 1220 Q HN 0.096 nan 8.270 nan 0.000 0.433 1221 V N 1.170 120.961 119.914 -0.204 0.000 2.295 1221 V HA -0.278 3.842 4.120 0.000 0.000 0.246 1221 V C 2.206 178.166 176.094 -0.224 0.000 1.049 1221 V CA 1.489 63.603 62.300 -0.310 0.000 1.024 1221 V CB -0.532 31.047 31.823 -0.407 0.000 0.648 1221 V HN 0.363 nan 8.190 nan 0.000 0.447 1222 L N -0.380 120.746 121.223 -0.161 0.000 1.990 1222 L HA -0.276 4.064 4.340 0.000 0.000 0.213 1222 L C 2.838 179.660 176.870 -0.080 0.000 1.072 1222 L CA 2.209 56.986 54.840 -0.106 0.000 0.755 1222 L CB -0.383 41.649 42.059 -0.044 0.000 0.889 1222 L HN 0.260 nan 8.230 nan 0.000 0.432 1223 R N -1.026 119.447 120.500 -0.046 0.000 2.073 1223 R HA -0.240 4.100 4.340 0.000 0.000 0.234 1223 R C 2.385 178.691 176.300 0.009 0.000 1.134 1223 R CA 1.989 58.080 56.100 -0.015 0.000 0.952 1223 R CB -0.467 29.834 30.300 0.002 0.000 0.850 1223 R HN 0.281 nan 8.270 nan 0.000 0.433 1224 F N 0.784 120.650 119.950 -0.140 0.000 2.095 1224 F HA -0.224 4.303 4.527 0.000 0.000 0.298 1224 F C 1.960 177.694 175.800 -0.109 0.000 1.104 1224 F CA 1.653 59.576 58.000 -0.127 0.000 1.232 1224 F CB -0.385 38.512 39.000 -0.171 0.000 0.987 1224 F HN -0.185 nan 8.300 nan 0.000 0.475 1225 V N 0.459 120.284 119.914 -0.148 0.000 2.379 1225 V HA -0.305 3.815 4.120 0.000 0.000 0.245 1225 V C 2.418 178.439 176.094 -0.123 0.000 1.044 1225 V CA 2.054 64.238 62.300 -0.194 0.000 1.036 1225 V CB -0.578 31.111 31.823 -0.223 0.000 0.664 1225 V HN 0.368 nan 8.190 nan 0.000 0.453 1226 M N -0.579 118.959 119.600 -0.102 0.000 2.279 1226 M HA -0.106 4.374 4.480 0.000 0.000 0.264 1226 M C 1.642 177.976 176.300 0.057 0.000 1.062 1226 M CA 1.305 56.597 55.300 -0.013 0.000 1.099 1226 M CB -0.273 32.300 32.600 -0.045 0.000 1.394 1226 M HN 0.253 nan 8.290 nan 0.000 0.426 1227 E N -0.103 120.063 120.200 -0.056 0.000 2.445 1227 E HA 0.127 4.477 4.350 0.000 0.000 0.189 1227 E C 1.140 177.622 176.600 -0.196 0.000 1.069 1227 E CA 0.418 56.749 56.400 -0.116 0.000 0.871 1227 E CB 0.041 29.679 29.700 -0.104 0.000 0.991 1227 E HN 0.625 nan 8.360 nan 0.000 0.481 1228 G N 0.747 109.464 108.800 -0.138 0.000 2.141 1228 G HA2 -0.223 3.737 3.960 0.000 0.000 0.231 1228 G HA3 -0.223 3.737 3.960 0.000 0.000 0.231 1228 G C 0.628 175.389 174.900 -0.232 0.000 0.984 1228 G CA -0.100 44.920 45.100 -0.134 0.000 0.660 1228 G HN 0.481 nan 8.290 nan 0.000 0.525 1229 G N -0.512 107.940 108.800 -0.580 0.000 2.467 1229 G HA2 0.623 4.583 3.960 0.000 0.000 0.257 1229 G HA3 0.623 4.583 3.960 0.000 0.000 0.257 1229 G C 0.013 174.594 174.900 -0.532 0.000 1.227 1229 G CA -0.257 44.172 45.100 -1.118 0.000 0.835 1229 G HN 0.706 nan 8.290 nan 0.000 0.556 1230 L N 0.453 121.587 121.223 -0.148 0.000 2.333 1230 L HA 0.444 4.784 4.340 0.000 0.000 0.263 1230 L C 0.078 177.018 176.870 0.117 0.000 1.014 1230 L CA -1.052 53.788 54.840 0.000 0.000 0.820 1230 L CB 2.032 44.113 42.059 0.036 0.000 1.352 1230 L HN 0.312 nan 8.230 nan 0.000 0.421 1231 L N 1.119 122.149 121.223 -0.321 0.000 2.483 1231 L HA 0.071 4.411 4.340 0.000 0.000 0.276 1231 L C -0.036 176.894 176.870 0.100 0.000 1.213 1231 L CA -0.020 54.565 54.840 -0.425 0.000 0.843 1231 L CB 0.068 41.430 42.059 -1.162 0.000 1.107 1231 L HN 0.479 nan 8.230 nan 0.000 0.487 1232 D N 1.969 122.466 120.400 0.162 0.000 2.339 1232 D HA 0.057 4.697 4.640 0.000 0.000 0.245 1232 D C 0.063 176.519 176.300 0.261 0.000 1.115 1232 D CA -0.336 53.797 54.000 0.221 0.000 0.917 1232 D CB 0.927 41.800 40.800 0.122 0.000 1.192 1232 D HN 0.319 nan 8.370 nan 0.000 0.428 1233 K N 1.961 122.255 120.400 -0.177 0.000 2.436 1233 K HA 0.095 4.415 4.320 0.000 0.000 0.282 1233 K C -2.281 174.184 176.600 -0.224 0.000 1.044 1233 K CA -1.001 54.897 56.287 -0.649 0.000 1.028 1233 K CB 0.212 31.971 32.500 -1.236 0.000 0.919 1233 K HN 0.062 nan 8.250 nan 0.000 0.474 1234 P HA -0.026 nan 4.420 nan 0.000 0.268 1234 P C -1.125 176.061 177.300 -0.189 0.000 1.208 1234 P CA -0.122 62.851 63.100 -0.210 0.000 0.777 1234 P CB 0.418 31.896 31.700 -0.369 0.000 0.875 1235 D N 1.888 122.193 120.400 -0.158 0.000 2.493 1235 D HA -0.046 4.594 4.640 0.000 0.000 0.240 1235 D C 0.634 176.856 176.300 -0.129 0.000 1.142 1235 D CA 0.708 54.632 54.000 -0.127 0.000 0.872 1235 D CB -0.588 40.149 40.800 -0.105 0.000 1.173 1235 D HN 0.414 nan 8.370 nan 0.000 0.467 1236 N N -0.723 117.912 118.700 -0.109 0.000 2.753 1236 N HA -0.229 4.511 4.740 0.000 0.000 0.251 1236 N C -0.137 175.315 175.510 -0.098 0.000 1.097 1236 N CA 0.315 53.309 53.050 -0.094 0.000 0.786 1236 N CB -1.355 37.083 38.487 -0.083 0.000 1.137 1236 N HN 0.454 nan 8.380 nan 0.000 0.566 1237 C N 1.746 120.974 119.300 -0.120 0.000 2.648 1237 C HA 0.202 4.662 4.460 0.000 0.000 0.415 1237 C C -1.581 173.371 174.990 -0.063 0.000 1.366 1237 C CA -1.420 57.536 59.018 -0.103 0.000 1.756 1237 C CB -0.336 27.331 27.740 -0.121 0.000 2.549 1237 C HN 0.203 nan 8.230 nan 0.000 0.597 1238 P HA 0.071 nan 4.420 nan 0.000 0.265 1238 P C 0.315 177.622 177.300 0.012 0.000 1.193 1238 P CA 0.608 63.695 63.100 -0.022 0.000 0.765 1238 P CB 0.469 32.153 31.700 -0.026 0.000 0.823 1239 D N 3.247 123.658 120.400 0.018 0.000 2.149 1239 D HA -0.212 4.428 4.640 0.000 0.000 0.198 1239 D C 1.711 178.049 176.300 0.063 0.000 0.990 1239 D CA 1.692 55.728 54.000 0.060 0.000 0.839 1239 D CB -0.186 40.640 40.800 0.042 0.000 0.948 1239 D HN 0.404 nan 8.370 nan 0.000 0.460 1240 M N -0.739 118.873 119.600 0.020 0.000 2.159 1240 M HA -0.074 4.407 4.480 0.000 0.000 0.263 1240 M C 1.760 178.051 176.300 -0.015 0.000 1.063 1240 M CA 1.532 56.830 55.300 -0.003 0.000 1.110 1240 M CB -0.657 31.934 32.600 -0.015 0.000 1.374 1240 M HN 0.026 nan 8.290 nan 0.000 0.411 1241 L N -1.229 119.993 121.223 -0.002 0.000 2.072 1241 L HA -0.047 4.294 4.340 0.000 0.000 0.205 1241 L C 2.551 179.413 176.870 -0.015 0.000 1.079 1241 L CA 1.036 55.862 54.840 -0.023 0.000 0.752 1241 L CB -0.726 41.319 42.059 -0.024 0.000 0.906 1241 L HN 0.328 nan 8.230 nan 0.000 0.436 1242 F N 1.110 120.998 119.950 -0.105 0.000 2.186 1242 F HA -0.171 4.356 4.527 0.000 0.000 0.299 1242 F C 2.542 178.257 175.800 -0.141 0.000 1.090 1242 F CA 1.349 59.284 58.000 -0.108 0.000 1.307 1242 F CB -0.102 38.874 39.000 -0.040 0.000 1.019 1242 F HN 0.022 nan 8.300 nan 0.000 0.489 1243 E N 0.453 120.578 120.200 -0.125 0.000 2.110 1243 E HA -0.216 4.134 4.350 0.000 0.000 0.193 1243 E C 2.555 178.988 176.600 -0.278 0.000 0.988 1243 E CA 0.975 57.248 56.400 -0.213 0.000 0.804 1243 E CB -0.834 28.818 29.700 -0.080 0.000 0.745 1243 E HN 0.444 nan 8.360 nan 0.000 0.458 1244 L N 0.089 121.175 121.223 -0.228 0.000 2.046 1244 L HA -0.169 4.171 4.340 0.000 0.000 0.208 1244 L C 2.501 179.123 176.870 -0.414 0.000 1.077 1244 L CA 0.997 55.701 54.840 -0.226 0.000 0.747 1244 L CB -0.184 41.801 42.059 -0.124 0.000 0.896 1244 L HN 0.196 nan 8.230 nan 0.000 0.432 1245 M N -1.009 118.224 119.600 -0.612 0.000 2.080 1245 M HA -0.281 4.199 4.480 0.000 0.000 0.260 1245 M C 2.314 177.809 176.300 -1.342 0.000 1.068 1245 M CA 1.854 56.439 55.300 -1.192 0.000 1.109 1245 M CB -0.471 31.346 32.600 -1.305 0.000 1.342 1245 M HN 0.165 nan 8.290 nan 0.000 0.405 1246 R N -0.132 119.816 120.500 -0.920 0.000 2.096 1246 R HA -0.101 4.239 4.340 0.000 0.000 0.235 1246 R C 2.143 178.239 176.300 -0.339 0.000 1.127 1246 R CA 1.480 57.249 56.100 -0.552 0.000 0.968 1246 R CB -0.366 29.638 30.300 -0.493 0.000 0.861 1246 R HN 0.440 nan 8.270 nan 0.000 0.440 1247 M N -0.382 119.023 119.600 -0.326 0.000 2.117 1247 M HA -0.201 4.279 4.480 0.000 0.000 0.262 1247 M C 2.415 178.604 176.300 -0.186 0.000 1.065 1247 M CA 1.365 56.547 55.300 -0.197 0.000 1.114 1247 M CB -0.281 32.222 32.600 -0.160 0.000 1.361 1247 M HN 0.247 nan 8.290 nan 0.000 0.408 1248 C N -0.889 118.219 119.300 -0.320 0.000 2.432 1248 C HA -0.128 4.332 4.460 0.000 0.000 0.280 1248 C C 1.584 176.474 174.990 -0.166 0.000 1.353 1248 C CA 0.221 59.083 59.018 -0.260 0.000 1.766 1248 C CB -1.053 26.472 27.740 -0.358 0.000 1.924 1248 C HN 0.654 nan 8.230 nan 0.000 0.509 1249 W N 1.170 122.247 121.300 -0.371 0.000 3.194 1249 W HA 0.307 4.968 4.660 0.000 0.000 0.408 1249 W C 0.396 176.881 176.519 -0.057 0.000 1.072 1249 W CA -0.829 56.158 57.345 -0.597 0.000 1.953 1249 W CB -1.355 27.596 29.460 -0.848 0.000 1.091 1249 W HN 0.489 nan 8.180 nan 0.000 0.699 1250 Q N 0.201 120.125 119.800 0.207 0.000 2.311 1250 Q HA -0.071 4.269 4.340 0.000 0.000 0.272 1250 Q C 1.030 177.223 176.000 0.322 0.000 1.012 1250 Q CA -0.023 55.908 55.803 0.214 0.000 0.891 1250 Q CB 0.892 29.691 28.738 0.103 0.000 1.201 1250 Q HN 0.158 nan 8.270 nan 0.000 0.391 1251 Y N 2.980 123.398 120.300 0.196 0.000 2.165 1251 Y HA -0.251 4.299 4.550 0.000 0.000 0.286 1251 Y C 0.998 176.939 175.900 0.069 0.000 1.155 1251 Y CA 1.497 59.687 58.100 0.149 0.000 1.164 1251 Y CB 0.256 38.753 38.460 0.062 0.000 0.978 1251 Y HN 0.614 nan 8.280 nan 0.000 0.513 1252 N N 1.506 120.309 118.700 0.171 0.000 2.420 1252 N HA 0.022 4.762 4.740 0.000 0.000 0.262 1252 N C -1.911 173.576 175.510 -0.038 0.000 1.144 1252 N CA -1.908 51.166 53.050 0.040 0.000 0.952 1252 N CB 1.030 39.544 38.487 0.045 0.000 1.081 1252 N HN 0.097 nan 8.380 nan 0.000 0.480 1253 P HA -0.161 nan 4.420 nan 0.000 0.218 1253 P C 0.592 177.666 177.300 -0.377 0.000 1.148 1253 P CA 1.264 64.261 63.100 -0.171 0.000 0.822 1253 P CB 0.391 31.976 31.700 -0.192 0.000 0.784 1254 K N -0.843 119.319 120.400 -0.396 0.000 2.365 1254 K HA 0.079 4.399 4.320 0.000 0.000 0.199 1254 K C 1.942 178.436 176.600 -0.177 0.000 1.045 1254 K CA 0.817 56.875 56.287 -0.383 0.000 0.962 1254 K CB -0.465 31.877 32.500 -0.263 0.000 0.759 1254 K HN 0.355 nan 8.250 nan 0.000 0.469 1255 M N 0.195 119.733 119.600 -0.104 0.000 2.502 1255 M HA 0.038 4.518 4.480 0.000 0.000 0.243 1255 M C 0.292 176.576 176.300 -0.027 0.000 1.130 1255 M CA 0.210 55.484 55.300 -0.044 0.000 1.055 1255 M CB 0.280 32.874 32.600 -0.011 0.000 1.457 1255 M HN -0.086 nan 8.290 nan 0.000 0.488 1256 R N 1.764 122.249 120.500 -0.025 0.000 2.641 1256 R HA 0.208 4.548 4.340 0.000 0.000 0.269 1256 R C -2.258 174.031 176.300 -0.019 0.000 1.074 1256 R CA -1.461 54.636 56.100 -0.005 0.000 1.133 1256 R CB -0.216 30.110 30.300 0.044 0.000 1.029 1256 R HN -0.037 nan 8.270 nan 0.000 0.488 1257 P HA -0.002 nan 4.420 nan 0.000 0.274 1257 P C -0.532 176.720 177.300 -0.080 0.000 1.231 1257 P CA -0.333 62.736 63.100 -0.051 0.000 0.790 1257 P CB 0.979 32.636 31.700 -0.072 0.000 0.951 1258 S N 0.825 116.503 115.700 -0.038 0.000 2.608 1258 S HA 0.168 4.638 4.470 0.000 0.000 0.261 1258 S C 1.110 175.629 174.600 -0.136 0.000 1.314 1258 S CA -0.257 57.909 58.200 -0.057 0.000 0.992 1258 S CB -0.251 62.985 63.200 0.060 0.000 0.935 1258 S HN 0.235 nan 8.310 nan 0.000 0.564 1259 F N 0.312 120.260 119.950 -0.003 0.000 2.161 1259 F HA -0.008 4.519 4.527 0.000 0.000 0.300 1259 F C 2.112 177.921 175.800 0.015 0.000 1.089 1259 F CA 1.080 59.036 58.000 -0.074 0.000 1.282 1259 F CB -0.814 38.141 39.000 -0.076 0.000 1.010 1259 F HN 0.439 nan 8.300 nan 0.000 0.485 1260 L N -0.435 120.951 121.223 0.271 0.000 2.046 1260 L HA -0.219 4.121 4.340 0.000 0.000 0.208 1260 L C 2.310 179.311 176.870 0.218 0.000 1.077 1260 L CA 1.513 56.534 54.840 0.302 0.000 0.747 1260 L CB -0.680 41.531 42.059 0.253 0.000 0.896 1260 L HN 0.166 nan 8.230 nan 0.000 0.432 1261 E N 0.214 120.483 120.200 0.115 0.000 2.106 1261 E HA -0.195 4.155 4.350 0.000 0.000 0.192 1261 E C 2.293 178.900 176.600 0.012 0.000 0.984 1261 E CA 1.022 57.458 56.400 0.060 0.000 0.806 1261 E CB -0.068 29.648 29.700 0.027 0.000 0.750 1261 E HN 0.456 nan 8.360 nan 0.000 0.458 1262 I N 0.985 121.544 120.570 -0.019 0.000 2.163 1262 I HA -0.314 3.856 4.170 0.000 0.000 0.243 1262 I C 2.296 178.379 176.117 -0.057 0.000 1.085 1262 I CA 1.234 62.506 61.300 -0.047 0.000 1.347 1262 I CB -0.231 37.704 38.000 -0.109 0.000 1.044 1262 I HN 0.118 nan 8.210 nan 0.000 0.408 1263 I N -0.153 120.377 120.570 -0.066 0.000 2.226 1263 I HA -0.266 3.904 4.170 0.000 0.000 0.245 1263 I C 2.607 178.527 176.117 -0.328 0.000 1.100 1263 I CA 1.130 62.302 61.300 -0.214 0.000 1.374 1263 I CB -0.371 37.472 38.000 -0.262 0.000 1.057 1263 I HN 0.122 nan 8.210 nan 0.000 0.413 1264 S N 0.557 116.130 115.700 -0.211 0.000 2.387 1264 S HA -0.210 4.260 4.470 0.000 0.000 0.230 1264 S C 2.170 176.729 174.600 -0.069 0.000 1.035 1264 S CA 1.863 60.003 58.200 -0.100 0.000 1.014 1264 S CB -0.394 62.850 63.200 0.073 0.000 0.836 1264 S HN 0.660 nan 8.310 nan 0.000 0.466 1265 S N 1.680 117.345 115.700 -0.059 0.000 2.453 1265 S HA 0.019 4.489 4.470 0.000 0.000 0.231 1265 S C 1.509 176.076 174.600 -0.056 0.000 1.005 1265 S CA 0.873 59.047 58.200 -0.043 0.000 0.949 1265 S CB -0.624 62.554 63.200 -0.036 0.000 0.774 1265 S HN 0.753 nan 8.310 nan 0.000 0.510 1266 I N -1.619 118.898 120.570 -0.089 0.000 4.154 1266 I HA 0.364 4.534 4.170 0.000 0.000 0.334 1266 I C 1.671 177.712 176.117 -0.128 0.000 1.371 1266 I CA -0.447 60.794 61.300 -0.098 0.000 1.110 1266 I CB 0.069 38.009 38.000 -0.100 0.000 1.085 1266 I HN 0.128 nan 8.210 nan 0.000 0.398 1267 K N 1.187 121.508 120.400 -0.131 0.000 2.209 1267 K HA -0.112 4.208 4.320 0.000 0.000 0.204 1267 K C 1.307 177.910 176.600 0.005 0.000 1.048 1267 K CA 1.513 57.751 56.287 -0.082 0.000 0.940 1267 K CB -0.222 32.252 32.500 -0.045 0.000 0.729 1267 K HN 0.183 nan 8.250 nan 0.000 0.451 1268 E N 1.245 121.447 120.200 0.004 0.000 2.265 1268 E HA -0.121 4.229 4.350 0.000 0.000 0.196 1268 E C 0.910 177.506 176.600 -0.008 0.000 0.996 1268 E CA 1.096 57.507 56.400 0.019 0.000 0.832 1268 E CB 0.098 29.808 29.700 0.017 0.000 0.756 1268 E HN 0.447 nan 8.360 nan 0.000 0.491 1269 E N -0.943 119.232 120.200 -0.041 0.000 2.474 1269 E HA 0.100 4.450 4.350 0.000 0.000 0.195 1269 E C -0.182 176.369 176.600 -0.082 0.000 1.039 1269 E CA -0.016 56.352 56.400 -0.053 0.000 0.881 1269 E CB 0.232 29.896 29.700 -0.059 0.000 0.970 1269 E HN 0.098 nan 8.360 nan 0.000 0.486 1270 M N 1.770 121.301 119.600 -0.115 0.000 2.233 1270 M HA 0.098 4.579 4.480 0.000 0.000 0.350 1270 M C 0.567 176.843 176.300 -0.041 0.000 1.176 1270 M CA -0.167 55.029 55.300 -0.173 0.000 1.150 1270 M CB 0.323 32.669 32.600 -0.424 0.000 1.530 1270 M HN 0.119 nan 8.290 nan 0.000 0.459 1271 E N 3.466 123.657 120.200 -0.015 0.000 2.408 1271 E HA 0.264 4.614 4.350 0.000 0.000 0.259 1271 E C -2.429 174.212 176.600 0.068 0.000 1.110 1271 E CA -1.667 54.751 56.400 0.029 0.000 0.929 1271 E CB -0.424 29.299 29.700 0.038 0.000 0.971 1271 E HN 0.302 nan 8.360 nan 0.000 0.438 1272 P HA 0.058 nan 4.420 nan 0.000 0.263 1272 P C 0.453 177.785 177.300 0.052 0.000 1.195 1272 P CA 1.140 64.261 63.100 0.036 0.000 0.762 1272 P CB 0.767 32.477 31.700 0.016 0.000 0.799 1273 G N 2.426 111.252 108.800 0.043 0.000 2.699 1273 G HA2 -0.299 3.662 3.960 0.000 0.000 0.198 1273 G HA3 -0.299 3.662 3.960 0.000 0.000 0.198 1273 G C 0.866 175.806 174.900 0.065 0.000 1.033 1273 G CA 0.017 45.139 45.100 0.036 0.000 0.728 1273 G HN 0.462 nan 8.290 nan 0.000 0.484 1274 F N 2.497 122.446 119.950 -0.002 0.000 2.161 1274 F HA 0.068 4.595 4.527 0.000 0.000 0.300 1274 F C 2.555 178.374 175.800 0.033 0.000 1.089 1274 F CA 2.418 60.458 58.000 0.067 0.000 1.282 1274 F CB -0.096 38.965 39.000 0.100 0.000 1.010 1274 F HN 0.246 nan 8.300 nan 0.000 0.485 1275 R N 0.289 120.694 120.500 -0.159 0.000 2.127 1275 R HA -0.153 4.187 4.340 0.000 0.000 0.238 1275 R C 1.771 177.909 176.300 -0.271 0.000 1.134 1275 R CA 1.802 57.590 56.100 -0.520 0.000 0.975 1275 R CB -0.244 29.671 30.300 -0.641 0.000 0.865 1275 R HN 0.318 nan 8.270 nan 0.000 0.447 1276 E N -0.120 119.968 120.200 -0.188 0.000 2.250 1276 E HA -0.062 4.288 4.350 0.000 0.000 0.192 1276 E C 1.812 178.309 176.600 -0.171 0.000 0.986 1276 E CA 1.118 57.430 56.400 -0.148 0.000 0.849 1276 E CB 0.547 30.176 29.700 -0.119 0.000 0.797 1276 E HN 0.431 nan 8.360 nan 0.000 0.482 1277 V N -1.114 118.660 119.914 -0.233 0.000 3.645 1277 V HA 0.189 4.309 4.120 0.000 0.000 0.275 1277 V C 0.995 176.940 176.094 -0.248 0.000 1.356 1277 V CA -0.044 62.063 62.300 -0.321 0.000 1.051 1277 V CB 0.087 31.517 31.823 -0.656 0.000 0.828 1277 V HN 0.040 nan 8.190 nan 0.000 0.441 1278 S N -0.173 115.371 115.700 -0.259 0.000 2.584 1278 S HA 0.408 4.878 4.470 0.000 0.000 0.273 1278 S C 0.592 175.208 174.600 0.026 0.000 1.311 1278 S CA -0.117 57.960 58.200 -0.205 0.000 1.034 1278 S CB 1.167 63.856 63.200 -0.852 0.000 0.939 1278 S HN 0.367 nan 8.310 nan 0.000 0.513 1279 F N 2.331 122.303 119.950 0.037 0.000 2.126 1279 F HA -0.110 4.417 4.527 0.000 0.000 0.299 1279 F C 1.977 177.834 175.800 0.095 0.000 1.096 1279 F CA 1.556 59.615 58.000 0.099 0.000 1.255 1279 F CB -0.829 38.288 39.000 0.195 0.000 0.997 1279 F HN 0.848 nan 8.300 nan 0.000 0.479 1280 Y N -0.301 119.931 120.300 -0.114 0.000 2.102 1280 Y HA -0.349 4.201 4.550 0.000 0.000 0.280 1280 Y C 1.779 177.454 175.900 -0.375 0.000 1.178 1280 Y CA 2.381 60.321 58.100 -0.268 0.000 1.146 1280 Y CB -0.879 37.528 38.460 -0.089 0.000 0.968 1280 Y HN 0.166 nan 8.280 nan 0.000 0.504 1281 Y N 0.087 120.341 120.300 -0.076 0.000 2.466 1281 Y HA 0.119 4.670 4.550 0.000 0.000 0.272 1281 Y C 1.450 177.248 175.900 -0.169 0.000 1.169 1281 Y CA 0.176 58.211 58.100 -0.108 0.000 1.285 1281 Y CB -0.301 38.153 38.460 -0.010 0.000 1.078 1281 Y HN 0.043 nan 8.280 nan 0.000 0.523 1282 S N -0.384 115.256 115.700 -0.101 0.000 2.614 1282 S HA 0.051 4.521 4.470 0.000 0.000 0.265 1282 S C 1.179 175.706 174.600 -0.121 0.000 1.303 1282 S CA -0.695 57.456 58.200 -0.082 0.000 1.000 1282 S CB 1.076 64.254 63.200 -0.036 0.000 0.935 1282 S HN 0.259 nan 8.310 nan 0.000 0.551 1283 E N 1.088 121.256 120.200 -0.053 0.000 2.204 1283 E HA -0.146 4.204 4.350 0.000 0.000 0.195 1283 E C 1.686 178.263 176.600 -0.040 0.000 0.990 1283 E CA 1.162 57.536 56.400 -0.044 0.000 0.821 1283 E CB -0.239 29.455 29.700 -0.009 0.000 0.750 1283 E HN 0.799 nan 8.360 nan 0.000 0.477 1284 E N 0.922 121.122 120.200 -0.001 0.000 2.268 1284 E HA -0.119 4.231 4.350 0.000 0.000 0.195 1284 E C 0.842 177.443 176.600 0.003 0.000 0.995 1284 E CA 0.137 56.592 56.400 0.092 0.000 0.836 1284 E CB -0.113 29.777 29.700 0.316 0.000 0.763 1284 E HN 0.001 nan 8.360 nan 0.000 0.491 1285 N N 1.794 120.288 118.700 -0.343 0.000 2.671 1285 N HA -0.015 4.725 4.740 0.000 0.000 0.274 1285 N C -0.989 174.376 175.510 -0.241 0.000 1.188 1285 N CA 0.213 52.948 53.050 -0.525 0.000 1.065 1285 N CB -0.274 37.626 38.487 -0.978 0.000 1.415 1285 N HN 0.101 nan 8.380 nan 0.000 0.511 1286 K N 0.000 120.347 120.400 -0.089 0.000 2.780 1286 K HA 0.000 4.320 4.320 0.000 0.000 0.191 1286 K CA 0.000 56.254 56.287 -0.054 0.000 0.838 1286 K CB 0.000 32.474 32.500 -0.043 0.000 1.064 1286 K HN 0.000 nan 8.250 nan 0.000 0.543