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_B 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 0.000 177.599 177.584 0.025 0.000 1.274 983 A CA 0.000 52.044 52.037 0.012 0.000 0.836 983 A CB 0.000 19.003 19.000 0.005 0.000 0.831 984 A N 0.148 122.980 122.820 0.020 0.000 2.066 984 A HA 0.101 4.421 4.320 -0.001 0.000 0.218 984 A C 1.409 179.011 177.584 0.029 0.000 1.157 984 A CA 2.141 54.193 52.037 0.024 0.000 0.670 984 A CB -0.312 18.700 19.000 0.019 0.000 0.804 984 A HN 0.403 nan 8.150 nan 0.000 0.453 985 D N -1.547 118.869 120.400 0.028 0.000 2.394 985 D HA 0.222 4.861 4.640 -0.001 0.000 0.226 985 D C 0.149 176.474 176.300 0.041 0.000 0.990 985 D CA 0.888 54.906 54.000 0.029 0.000 0.902 985 D CB 0.607 41.419 40.800 0.021 0.000 1.038 985 D HN 0.181 nan 8.370 nan 0.000 0.499 986 V N 0.108 120.050 119.914 0.047 0.000 2.971 986 V HA 0.335 4.455 4.120 -0.001 0.000 0.309 986 V C -1.407 174.746 176.094 0.098 0.000 1.130 986 V CA -1.247 61.091 62.300 0.064 0.000 0.964 986 V CB 2.355 34.197 31.823 0.032 0.000 1.029 986 V HN -0.015 nan 8.190 nan 0.000 0.427 987 Y N 2.523 122.821 120.300 -0.003 0.000 2.335 987 Y HA 0.745 5.295 4.550 -0.001 0.000 0.338 987 Y C -0.544 175.356 175.900 0.001 0.000 0.977 987 Y CA -0.726 57.370 58.100 -0.007 0.000 1.114 987 Y CB 1.878 40.333 38.460 -0.008 0.000 1.182 987 Y HN 0.462 nan 8.280 nan 0.000 0.463 988 V N 9.062 128.622 119.914 -0.591 0.000 2.350 988 V HA 0.350 4.470 4.120 -0.001 0.000 0.276 988 V C -2.074 173.699 176.094 -0.536 0.000 1.028 988 V CA -1.892 60.178 62.300 -0.384 0.000 0.860 988 V CB 0.954 32.632 31.823 -0.240 0.000 0.990 988 V HN 0.706 nan 8.190 nan 0.000 0.453 989 P HA 0.295 nan 4.420 nan 0.000 0.271 989 P C -1.100 176.189 177.300 -0.019 0.000 1.216 989 P CA 0.117 63.217 63.100 0.001 0.000 0.776 989 P CB 1.320 33.088 31.700 0.114 0.000 0.881 990 D N 0.837 121.270 120.400 0.056 0.000 3.225 990 D HA 0.049 4.688 4.640 -0.001 0.000 0.294 990 D C 1.017 177.368 176.300 0.086 0.000 1.306 990 D CA -0.379 53.654 54.000 0.056 0.000 1.019 990 D CB -0.274 40.558 40.800 0.054 0.000 1.344 990 D HN 0.302 nan 8.370 nan 0.000 0.615 991 E N -0.149 120.080 120.200 0.049 0.000 2.333 991 E HA -0.142 4.208 4.350 -0.001 0.000 0.198 991 E C 1.046 177.572 176.600 -0.123 0.000 1.007 991 E CA 0.713 57.070 56.400 -0.071 0.000 0.845 991 E CB -0.515 29.085 29.700 -0.167 0.000 0.766 991 E HN 0.570 nan 8.360 nan 0.000 0.507 992 W N 1.643 122.955 121.300 0.019 0.000 2.905 992 W HA 0.146 4.805 4.660 -0.000 0.000 0.251 992 W C 0.748 177.295 176.519 0.046 0.000 1.305 992 W CA -0.271 57.094 57.345 0.033 0.000 1.465 992 W CB 0.113 29.602 29.460 0.048 0.000 1.122 992 W HN -0.023 nan 8.180 nan 0.000 0.659 993 E N 0.783 121.122 120.200 0.231 0.000 2.376 993 E HA 0.165 4.514 4.350 -0.001 0.000 0.266 993 E C -0.585 176.077 176.600 0.103 0.000 1.009 993 E CA 0.161 56.661 56.400 0.167 0.000 0.902 993 E CB 0.582 30.362 29.700 0.135 0.000 0.972 993 E HN -0.230 nan 8.360 nan 0.000 0.439 994 V N 3.813 123.783 119.914 0.093 0.000 2.459 994 V HA 0.566 4.686 4.120 -0.001 0.000 0.295 994 V C 0.046 176.166 176.094 0.043 0.000 1.029 994 V CA -0.862 61.473 62.300 0.059 0.000 0.874 994 V CB 1.567 33.427 31.823 0.062 0.000 0.985 994 V HN 0.895 nan 8.190 nan 0.000 0.438 995 A N 4.011 126.848 122.820 0.027 0.000 2.548 995 A HA 0.184 4.503 4.320 -0.001 0.000 0.247 995 A C 1.483 179.076 177.584 0.014 0.000 1.067 995 A CA 0.151 52.199 52.037 0.019 0.000 0.757 995 A CB -0.236 18.770 19.000 0.010 0.000 0.996 995 A HN 0.973 nan 8.150 nan 0.000 0.504 996 R N 1.519 122.026 120.500 0.011 0.000 2.117 996 R HA -0.191 4.149 4.340 -0.001 0.000 0.243 996 R C 1.794 178.091 176.300 -0.006 0.000 1.143 996 R CA 2.005 58.107 56.100 0.002 0.000 0.968 996 R CB -0.067 30.232 30.300 -0.003 0.000 0.863 996 R HN 0.937 nan 8.270 nan 0.000 0.444 997 E N 0.533 120.730 120.200 -0.005 0.000 2.409 997 E HA -0.187 4.162 4.350 -0.001 0.000 0.198 997 E C 0.734 177.329 176.600 -0.007 0.000 1.024 997 E CA 1.033 57.428 56.400 -0.009 0.000 0.861 997 E CB -0.039 29.657 29.700 -0.007 0.000 0.788 997 E HN 0.392 nan 8.360 nan 0.000 0.521 998 K N 0.502 120.900 120.400 -0.002 0.000 2.444 998 K HA 0.173 4.493 4.320 -0.001 0.000 0.193 998 K C 0.190 176.789 176.600 -0.001 0.000 1.024 998 K CA 0.043 56.330 56.287 -0.001 0.000 1.077 998 K CB 0.590 33.092 32.500 0.004 0.000 0.833 998 K HN 0.106 nan 8.250 nan 0.000 0.517 999 I N 2.042 122.609 120.570 -0.005 0.000 2.406 999 I HA 0.120 4.290 4.170 -0.001 0.000 0.290 999 I C 0.285 176.387 176.117 -0.026 0.000 0.999 999 I CA -0.523 60.771 61.300 -0.009 0.000 1.124 999 I CB 1.341 39.337 38.000 -0.006 0.000 1.289 999 I HN -0.064 nan 8.210 nan 0.000 0.441 1000 T N 3.902 118.440 114.554 -0.027 0.000 2.841 1000 T HA 0.754 5.104 4.350 -0.001 0.000 0.283 1000 T C -0.462 174.206 174.700 -0.053 0.000 1.000 1000 T CA -0.792 61.283 62.100 -0.043 0.000 0.977 1000 T CB 1.899 70.750 68.868 -0.029 0.000 0.979 1000 T HN 0.398 nan 8.240 nan 0.000 0.446 1001 M N 3.142 122.683 119.600 -0.098 0.000 2.205 1001 M HA 0.370 4.849 4.480 -0.001 0.000 0.344 1001 M C 1.069 177.321 176.300 -0.081 0.000 1.085 1001 M CA -0.660 54.565 55.300 -0.125 0.000 1.001 1001 M CB 2.230 34.625 32.600 -0.341 0.000 1.626 1001 M HN 0.990 nan 8.290 nan 0.000 0.442 1002 S N 3.192 118.889 115.700 -0.005 0.000 2.506 1002 S HA 0.300 4.770 4.470 -0.001 0.000 0.230 1002 S C 0.423 175.061 174.600 0.063 0.000 1.066 1002 S CA -0.310 57.902 58.200 0.020 0.000 0.940 1002 S CB 0.373 63.587 63.200 0.025 0.000 0.818 1002 S HN 0.782 nan 8.310 nan 0.000 0.518 1003 R N 0.222 120.800 120.500 0.130 0.000 2.692 1003 R HA 0.465 4.805 4.340 -0.001 0.000 0.269 1003 R C -1.909 174.521 176.300 0.218 0.000 1.030 1003 R CA -0.826 55.369 56.100 0.159 0.000 0.882 1003 R CB 0.762 31.112 30.300 0.083 0.000 1.250 1003 R HN 0.072 nan 8.270 nan 0.000 0.465 1004 E N 1.392 121.663 120.200 0.118 0.000 2.360 1004 E HA 0.076 4.426 4.350 -0.001 0.000 0.269 1004 E C 0.246 176.792 176.600 -0.090 0.000 1.022 1004 E CA -0.048 56.279 56.400 -0.122 0.000 0.887 1004 E CB 1.118 30.719 29.700 -0.165 0.000 0.990 1004 E HN 0.441 nan 8.360 nan 0.000 0.426 1005 L N 1.732 122.862 121.223 -0.154 0.000 2.357 1005 L HA 0.272 4.612 4.340 -0.001 0.000 0.211 1005 L C 0.982 177.817 176.870 -0.059 0.000 1.075 1005 L CA 0.370 55.171 54.840 -0.065 0.000 0.830 1005 L CB 0.276 42.309 42.059 -0.043 0.000 0.996 1005 L HN 0.733 nan 8.230 nan 0.000 0.467 1006 G N -0.420 108.297 108.800 -0.138 0.000 2.353 1006 G HA2 0.053 4.013 3.960 -0.001 0.000 0.308 1006 G HA3 0.053 4.013 3.960 -0.001 0.000 0.308 1006 G C -1.705 173.131 174.900 -0.107 0.000 1.418 1006 G CA -0.826 44.218 45.100 -0.093 0.000 0.966 1006 G HN -0.120 nan 8.290 nan 0.000 0.638 1007 Q N 0.257 120.012 119.800 -0.075 0.000 2.271 1007 Q HA 0.538 4.877 4.340 -0.001 0.000 0.273 1007 Q C 0.803 176.803 176.000 -0.000 0.000 1.051 1007 Q CA 1.112 56.880 55.803 -0.058 0.000 0.901 1007 Q CB 0.613 29.320 28.738 -0.051 0.000 1.174 1007 Q HN 1.174 nan 8.270 nan 0.000 0.385 1008 G N 1.493 110.307 108.800 0.023 0.000 2.537 1008 G HA2 0.306 4.265 3.960 -0.001 0.000 0.297 1008 G HA3 0.306 4.265 3.960 -0.001 0.000 0.297 1008 G C 0.462 175.389 174.900 0.045 0.000 1.310 1008 G CA -0.135 45.028 45.100 0.106 0.000 1.027 1008 G HN 0.794 nan 8.290 nan 0.000 0.505 1009 S N -1.413 114.305 115.700 0.031 0.000 2.453 1009 S HA 0.031 4.500 4.470 -0.001 0.000 0.231 1009 S C 1.451 175.836 174.600 -0.358 0.000 1.005 1009 S CA 0.793 58.869 58.200 -0.206 0.000 0.949 1009 S CB -0.216 62.782 63.200 -0.337 0.000 0.774 1009 S HN 0.361 nan 8.310 nan 0.000 0.510 1010 F N 1.684 121.668 119.950 0.056 0.000 2.720 1010 F HA 0.552 5.078 4.527 -0.001 0.000 0.301 1010 F C 1.466 177.210 175.800 -0.093 0.000 1.103 1010 F CA 0.239 58.237 58.000 -0.003 0.000 1.291 1010 F CB 0.763 39.804 39.000 0.068 0.000 1.086 1010 F HN 0.512 nan 8.300 nan 0.000 0.592 1011 G N -0.253 108.597 108.800 0.084 0.000 2.327 1011 G HA2 0.295 4.254 3.960 -0.001 0.000 0.291 1011 G HA3 0.295 4.254 3.960 -0.001 0.000 0.291 1011 G C -1.600 173.289 174.900 -0.018 0.000 1.290 1011 G CA -1.130 43.971 45.100 0.001 0.000 0.857 1011 G HN -0.137 nan 8.290 nan 0.000 0.520 1012 M N 0.547 120.108 119.600 -0.066 0.000 2.245 1012 M HA 0.550 5.029 4.480 -0.001 0.000 0.344 1012 M C -0.116 176.032 176.300 -0.253 0.000 1.170 1012 M CA -0.028 55.151 55.300 -0.203 0.000 1.135 1012 M CB 0.961 33.374 32.600 -0.311 0.000 1.574 1012 M HN 0.476 nan 8.290 nan 0.000 0.452 1013 V N 6.287 125.974 119.914 -0.377 0.000 2.513 1013 V HA 0.481 4.600 4.120 -0.001 0.000 0.299 1013 V C -0.993 174.791 176.094 -0.517 0.000 1.035 1013 V CA -0.585 61.479 62.300 -0.392 0.000 0.889 1013 V CB 1.199 32.714 31.823 -0.514 0.000 0.988 1013 V HN 0.789 nan 8.190 nan 0.000 0.440 1014 Y N 1.101 121.303 120.300 -0.163 0.000 2.562 1014 Y HA 0.520 5.070 4.550 -0.001 0.000 0.343 1014 Y C 0.274 176.118 175.900 -0.094 0.000 1.025 1014 Y CA -0.834 57.207 58.100 -0.098 0.000 1.082 1014 Y CB 1.634 40.056 38.460 -0.063 0.000 1.264 1014 Y HN 0.605 nan 8.280 nan 0.000 0.478 1015 E N 0.475 120.752 120.200 0.127 0.000 2.277 1015 E HA 0.647 4.996 4.350 -0.001 0.000 0.274 1015 E C -0.390 176.257 176.600 0.078 0.000 1.022 1015 E CA -0.278 56.169 56.400 0.079 0.000 0.853 1015 E CB 1.247 30.986 29.700 0.064 0.000 1.086 1015 E HN 0.891 nan 8.360 nan 0.000 0.397 1016 G N 1.087 109.915 108.800 0.048 0.000 2.578 1016 G HA2 0.420 4.380 3.960 -0.001 0.000 0.302 1016 G HA3 0.420 4.380 3.960 -0.001 0.000 0.302 1016 G C -1.576 173.336 174.900 0.021 0.000 1.243 1016 G CA -0.435 44.680 45.100 0.026 0.000 0.843 1016 G HN 0.453 nan 8.290 nan 0.000 0.486 1017 V N 0.170 120.091 119.914 0.011 0.000 2.709 1017 V HA 0.796 4.915 4.120 -0.001 0.000 0.308 1017 V C -0.097 176.003 176.094 0.009 0.000 1.062 1017 V CA -0.251 62.055 62.300 0.011 0.000 0.901 1017 V CB 1.428 33.255 31.823 0.006 0.000 1.003 1017 V HN 1.508 nan 8.190 nan 0.000 0.425 1018 A N 4.288 127.117 122.820 0.015 0.000 2.343 1018 A HA 0.777 5.097 4.320 -0.001 0.000 0.316 1018 A C -0.543 177.048 177.584 0.012 0.000 1.104 1018 A CA -0.794 51.252 52.037 0.016 0.000 0.768 1018 A CB 1.138 20.154 19.000 0.027 0.000 1.213 1018 A HN 0.779 nan 8.150 nan 0.000 0.456 1019 K N 0.848 121.253 120.400 0.007 0.000 2.234 1019 K HA 0.504 4.824 4.320 -0.001 0.000 0.282 1019 K C 0.843 177.444 176.600 0.001 0.000 1.039 1019 K CA 0.502 56.790 56.287 0.003 0.000 0.928 1019 K CB 1.144 33.643 32.500 -0.001 0.000 1.039 1019 K HN 1.560 nan 8.250 nan 0.000 0.470 1020 G N 1.172 109.970 108.800 -0.003 0.000 2.160 1020 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.244 1020 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.244 1020 G C 0.460 175.351 174.900 -0.015 0.000 1.022 1020 G CA 0.369 45.463 45.100 -0.011 0.000 0.741 1020 G HN 0.541 nan 8.290 nan 0.000 0.508 1021 V N -3.800 116.111 119.914 -0.003 0.000 3.644 1021 V HA 0.640 4.760 4.120 -0.001 0.000 0.267 1021 V C 0.786 176.877 176.094 -0.004 0.000 1.277 1021 V CA 0.537 62.837 62.300 0.001 0.000 1.096 1021 V CB 0.817 32.659 31.823 0.032 0.000 0.828 1021 V HN 0.561 nan 8.190 nan 0.000 0.446 1022 V N 1.142 121.053 119.914 -0.005 0.000 2.638 1022 V HA 0.416 4.535 4.120 -0.001 0.000 0.306 1022 V C -0.092 175.994 176.094 -0.013 0.000 1.052 1022 V CA -1.158 61.139 62.300 -0.005 0.000 0.885 1022 V CB 1.872 33.699 31.823 0.007 0.000 0.999 1022 V HN 0.429 nan 8.190 nan 0.000 0.424 1023 K N 3.185 123.574 120.400 -0.019 0.000 2.485 1023 K HA 0.043 4.363 4.320 -0.001 0.000 0.277 1023 K C 0.483 177.076 176.600 -0.012 0.000 0.990 1023 K CA 0.828 57.103 56.287 -0.020 0.000 0.994 1023 K CB 0.109 32.595 32.500 -0.022 0.000 0.906 1023 K HN 0.804 nan 8.250 nan 0.000 0.488 1024 D N 1.538 121.931 120.400 -0.013 0.000 2.978 1024 D HA -0.176 4.463 4.640 -0.001 0.000 0.205 1024 D C -0.982 175.315 176.300 -0.005 0.000 1.093 1024 D CA 1.324 55.319 54.000 -0.008 0.000 1.006 1024 D CB -0.678 40.118 40.800 -0.007 0.000 1.116 1024 D HN 0.731 nan 8.370 nan 0.000 0.419 1025 E N -0.013 120.184 120.200 -0.005 0.000 2.141 1025 E HA 0.254 4.604 4.350 -0.001 0.000 0.259 1025 E C -1.810 174.788 176.600 -0.003 0.000 0.883 1025 E CA -1.745 54.653 56.400 -0.002 0.000 0.744 1025 E CB 1.671 31.372 29.700 0.002 0.000 1.150 1025 E HN -0.099 nan 8.360 nan 0.000 0.420 1026 P HA -0.224 nan 4.420 nan 0.000 0.216 1026 P C -0.277 177.022 177.300 -0.002 0.000 1.150 1026 P CA 1.460 64.558 63.100 -0.004 0.000 0.843 1026 P CB 0.229 31.927 31.700 -0.003 0.000 0.787 1027 E N -3.513 116.688 120.200 0.001 0.000 2.412 1027 E HA 0.558 4.907 4.350 -0.001 0.000 0.279 1027 E C -1.398 175.206 176.600 0.007 0.000 0.984 1027 E CA -0.909 55.494 56.400 0.004 0.000 0.788 1027 E CB 1.469 31.171 29.700 0.003 0.000 1.277 1027 E HN -0.346 nan 8.360 nan 0.000 0.455 1028 T N 1.010 115.571 114.554 0.011 0.000 2.952 1028 T HA 0.389 4.739 4.350 -0.001 0.000 0.305 1028 T C -0.692 174.019 174.700 0.019 0.000 1.064 1028 T CA -0.848 61.261 62.100 0.015 0.000 1.008 1028 T CB 1.245 70.125 68.868 0.019 0.000 1.078 1028 T HN 0.362 nan 8.240 nan 0.000 0.459 1029 R N 1.610 122.121 120.500 0.020 0.000 2.442 1029 R HA 0.553 4.892 4.340 -0.001 0.000 0.291 1029 R C 0.062 176.383 176.300 0.034 0.000 1.069 1029 R CA -0.457 55.658 56.100 0.024 0.000 1.022 1029 R CB 0.405 30.718 30.300 0.022 0.000 0.976 1029 R HN 0.507 nan 8.270 nan 0.000 0.443 1030 V N -1.216 118.722 119.914 0.040 0.000 3.159 1030 V HA 0.855 4.975 4.120 -0.001 0.000 0.308 1030 V C -0.596 175.533 176.094 0.058 0.000 1.190 1030 V CA -1.336 60.995 62.300 0.053 0.000 1.037 1030 V CB 2.015 33.868 31.823 0.050 0.000 1.060 1030 V HN 0.808 nan 8.190 nan 0.000 0.437 1031 A N 2.601 125.466 122.820 0.075 0.000 2.306 1031 A HA 0.908 5.227 4.320 -0.001 0.000 0.314 1031 A C -0.484 177.096 177.584 -0.006 0.000 1.164 1031 A CA -0.633 51.423 52.037 0.031 0.000 0.822 1031 A CB 0.416 19.482 19.000 0.110 0.000 1.130 1031 A HN 0.957 nan 8.150 nan 0.000 0.496 1032 I N 2.651 123.193 120.570 -0.047 0.000 2.448 1032 I HA 0.237 4.406 4.170 -0.001 0.000 0.281 1032 I C -0.163 175.947 176.117 -0.011 0.000 1.027 1032 I CA -0.335 60.971 61.300 0.010 0.000 1.111 1032 I CB 1.658 39.697 38.000 0.064 0.000 1.236 1032 I HN 0.588 nan 8.210 nan 0.000 0.452 1033 K N 4.285 124.691 120.400 0.011 0.000 2.174 1033 K HA 0.556 4.875 4.320 -0.001 0.000 0.275 1033 K C 0.120 176.860 176.600 0.233 0.000 1.015 1033 K CA -0.439 55.906 56.287 0.097 0.000 0.933 1033 K CB 1.764 34.398 32.500 0.223 0.000 1.025 1033 K HN 0.668 nan 8.250 nan 0.000 0.463 1034 T N -2.289 112.346 114.554 0.135 0.000 2.916 1034 T HA 0.430 4.780 4.350 -0.001 0.000 0.292 1034 T C -0.396 174.109 174.700 -0.324 0.000 1.055 1034 T CA -0.868 61.211 62.100 -0.034 0.000 1.009 1034 T CB 1.382 70.281 68.868 0.052 0.000 1.118 1034 T HN 0.142 nan 8.240 nan 0.000 0.497 1035 V N 3.445 123.029 119.914 -0.550 0.000 2.407 1035 V HA 0.363 4.482 4.120 -0.001 0.000 0.278 1035 V C 0.927 176.892 176.094 -0.215 0.000 1.037 1035 V CA -1.067 60.921 62.300 -0.520 0.000 0.900 1035 V CB 1.064 32.492 31.823 -0.659 0.000 0.983 1035 V HN 0.996 nan 8.190 nan 0.000 0.459 1036 N N 3.493 122.123 118.700 -0.118 0.000 2.441 1036 N HA -0.024 4.715 4.740 -0.001 0.000 0.251 1036 N C 1.403 176.877 175.510 -0.060 0.000 1.242 1036 N CA 0.339 53.353 53.050 -0.061 0.000 0.898 1036 N CB 1.045 39.511 38.487 -0.036 0.000 1.100 1036 N HN 0.897 nan 8.380 nan 0.000 0.443 1037 E N 2.416 122.591 120.200 -0.041 0.000 2.130 1037 E HA -0.201 4.148 4.350 -0.001 0.000 0.196 1037 E C 1.250 177.833 176.600 -0.029 0.000 0.998 1037 E CA 1.561 57.940 56.400 -0.035 0.000 0.806 1037 E CB -0.188 29.498 29.700 -0.023 0.000 0.738 1037 E HN 0.584 nan 8.360 nan 0.000 0.459 1038 A N 1.208 124.013 122.820 -0.024 0.000 2.238 1038 A HA 0.399 4.719 4.320 -0.001 0.000 0.208 1038 A C 1.302 178.877 177.584 -0.016 0.000 1.177 1038 A CA 0.364 52.390 52.037 -0.018 0.000 0.804 1038 A CB -0.311 18.679 19.000 -0.016 0.000 0.823 1038 A HN 0.393 nan 8.150 nan 0.000 0.482 1039 A N 0.748 123.555 122.820 -0.021 0.000 2.425 1039 A HA 0.483 4.803 4.320 -0.001 0.000 0.242 1039 A C 1.041 178.623 177.584 -0.003 0.000 1.077 1039 A CA 0.329 52.362 52.037 -0.007 0.000 0.781 1039 A CB -0.067 18.927 19.000 -0.010 0.000 1.020 1039 A HN 0.988 nan 8.150 nan 0.000 0.494 1040 S N 1.827 117.535 115.700 0.013 0.000 2.655 1040 S HA 0.282 4.752 4.470 -0.001 0.000 0.265 1040 S C 1.241 175.849 174.600 0.014 0.000 1.240 1040 S CA 0.264 58.471 58.200 0.013 0.000 0.986 1040 S CB 0.371 63.583 63.200 0.020 0.000 0.985 1040 S HN 0.870 nan 8.310 nan 0.000 0.562 1041 M N 0.504 120.112 119.600 0.014 0.000 2.086 1041 M HA -0.098 4.382 4.480 -0.001 0.000 0.261 1041 M C 2.456 178.772 176.300 0.027 0.000 1.067 1041 M CA 1.692 57.001 55.300 0.016 0.000 1.116 1041 M CB -0.289 32.320 32.600 0.016 0.000 1.348 1041 M HN 0.846 nan 8.290 nan 0.000 0.407 1042 R N 0.048 120.569 120.500 0.035 0.000 2.120 1042 R HA -0.166 4.173 4.340 -0.001 0.000 0.234 1042 R C 1.739 178.085 176.300 0.076 0.000 1.123 1042 R CA 2.068 58.197 56.100 0.049 0.000 0.975 1042 R CB -0.184 30.142 30.300 0.045 0.000 0.866 1042 R HN 0.572 nan 8.270 nan 0.000 0.446 1043 E N -0.292 119.964 120.200 0.094 0.000 2.107 1043 E HA -0.179 4.170 4.350 -0.001 0.000 0.191 1043 E C 2.059 178.731 176.600 0.120 0.000 0.982 1043 E CA 0.788 57.298 56.400 0.183 0.000 0.809 1043 E CB -0.083 29.731 29.700 0.191 0.000 0.756 1043 E HN 0.251 nan 8.360 nan 0.000 0.459 1044 R N 0.876 121.393 120.500 0.028 0.000 2.091 1044 R HA -0.166 4.174 4.340 -0.001 0.000 0.238 1044 R C 2.066 178.363 176.300 -0.006 0.000 1.136 1044 R CA 1.252 57.330 56.100 -0.037 0.000 0.959 1044 R CB -0.060 30.213 30.300 -0.044 0.000 0.856 1044 R HN 0.125 nan 8.270 nan 0.000 0.437 1045 I N 1.244 121.824 120.570 0.017 0.000 2.252 1045 I HA -0.193 3.977 4.170 -0.001 0.000 0.245 1045 I C 2.024 178.139 176.117 -0.003 0.000 1.102 1045 I CA 1.426 62.738 61.300 0.021 0.000 1.385 1045 I CB -1.239 36.788 38.000 0.046 0.000 1.064 1045 I HN 0.279 nan 8.210 nan 0.000 0.414 1046 E N 0.529 120.744 120.200 0.025 0.000 2.070 1046 E HA -0.282 4.067 4.350 -0.001 0.000 0.197 1046 E C 2.157 178.656 176.600 -0.169 0.000 1.004 1046 E CA 1.579 57.996 56.400 0.028 0.000 0.805 1046 E CB -0.375 29.453 29.700 0.213 0.000 0.744 1046 E HN 0.388 nan 8.360 nan 0.000 0.451 1047 F N 1.292 120.851 119.950 -0.652 0.000 2.095 1047 F HA -0.225 4.301 4.527 -0.001 0.000 0.298 1047 F C 1.922 177.413 175.800 -0.514 0.000 1.104 1047 F CA 1.477 58.873 58.000 -1.007 0.000 1.232 1047 F CB -0.116 38.262 39.000 -1.035 0.000 0.987 1047 F HN -0.076 nan 8.300 nan 0.000 0.475 1048 L N 0.043 121.105 121.223 -0.269 0.000 2.093 1048 L HA -0.207 4.133 4.340 -0.001 0.000 0.208 1048 L C 2.195 178.900 176.870 -0.275 0.000 1.085 1048 L CA 1.489 56.085 54.840 -0.406 0.000 0.755 1048 L CB -0.869 40.893 42.059 -0.495 0.000 0.904 1048 L HN 0.232 nan 8.230 nan 0.000 0.435 1049 N N 0.379 118.995 118.700 -0.138 0.000 2.166 1049 N HA -0.210 4.530 4.740 -0.001 0.000 0.186 1049 N C 1.722 177.163 175.510 -0.115 0.000 1.019 1049 N CA 1.281 54.292 53.050 -0.065 0.000 0.856 1049 N CB 0.076 38.552 38.487 -0.018 0.000 0.993 1049 N HN 0.287 nan 8.380 nan 0.000 0.426 1050 E N -0.523 119.567 120.200 -0.183 0.000 2.110 1050 E HA -0.156 4.194 4.350 -0.001 0.000 0.193 1050 E C 1.793 178.259 176.600 -0.223 0.000 0.988 1050 E CA 1.093 57.393 56.400 -0.168 0.000 0.804 1050 E CB -0.165 29.416 29.700 -0.198 0.000 0.745 1050 E HN 0.529 nan 8.360 nan 0.000 0.458 1051 A N 0.754 123.370 122.820 -0.341 0.000 1.897 1051 A HA -0.119 4.200 4.320 -0.001 0.000 0.215 1051 A C 2.330 179.726 177.584 -0.313 0.000 1.181 1051 A CA 1.271 53.096 52.037 -0.354 0.000 0.620 1051 A CB -0.299 18.439 19.000 -0.436 0.000 0.821 1051 A HN 0.095 nan 8.150 nan 0.000 0.443 1052 S N -0.054 115.521 115.700 -0.209 0.000 2.370 1052 S HA -0.183 4.286 4.470 -0.001 0.000 0.226 1052 S C 2.037 176.503 174.600 -0.225 0.000 1.033 1052 S CA 1.737 59.840 58.200 -0.162 0.000 1.011 1052 S CB -0.830 62.359 63.200 -0.017 0.000 0.852 1052 S HN 0.858 nan 8.310 nan 0.000 0.457 1053 V N -0.352 119.460 119.914 -0.170 0.000 2.490 1053 V HA -0.083 4.036 4.120 -0.001 0.000 0.250 1053 V C 1.812 177.678 176.094 -0.381 0.000 1.061 1053 V CA 1.328 63.526 62.300 -0.170 0.000 1.064 1053 V CB -0.764 31.083 31.823 0.040 0.000 0.670 1053 V HN 0.358 nan 8.190 nan 0.000 0.461 1054 M N -0.095 119.304 119.600 -0.335 0.000 2.556 1054 M HA 0.150 4.629 4.480 -0.001 0.000 0.245 1054 M C 1.876 177.894 176.300 -0.469 0.000 1.128 1054 M CA 0.668 55.761 55.300 -0.344 0.000 1.069 1054 M CB -0.966 31.536 32.600 -0.163 0.000 1.469 1054 M HN 0.441 nan 8.290 nan 0.000 0.494 1055 K N 1.201 121.257 120.400 -0.573 0.000 2.152 1055 K HA -0.189 4.130 4.320 -0.001 0.000 0.206 1055 K C 1.661 178.119 176.600 -0.237 0.000 1.048 1055 K CA 1.629 57.535 56.287 -0.634 0.000 0.933 1055 K CB -0.110 31.990 32.500 -0.667 0.000 0.721 1055 K HN 0.585 nan 8.250 nan 0.000 0.447 1056 E N -0.026 119.934 120.200 -0.400 0.000 2.435 1056 E HA -0.038 4.312 4.350 -0.001 0.000 0.195 1056 E C -0.256 176.276 176.600 -0.114 0.000 1.029 1056 E CA 0.123 56.355 56.400 -0.279 0.000 0.865 1056 E CB 0.046 29.510 29.700 -0.393 0.000 0.833 1056 E HN -0.021 nan 8.360 nan 0.000 0.510 1057 F N 1.841 121.818 119.950 0.045 0.000 2.394 1057 F HA 0.428 4.954 4.527 -0.001 0.000 0.340 1057 F C 0.119 175.966 175.800 0.080 0.000 1.105 1057 F CA -1.675 56.398 58.000 0.122 0.000 1.124 1057 F CB 1.132 40.166 39.000 0.057 0.000 1.145 1057 F HN -0.094 nan 8.300 nan 0.000 0.505 1058 N N 2.032 120.892 118.700 0.267 0.000 2.701 1058 N HA 0.258 4.997 4.740 -0.001 0.000 0.258 1058 N C -1.996 173.376 175.510 -0.230 0.000 1.262 1058 N CA -0.100 52.977 53.050 0.045 0.000 0.780 1058 N CB 0.858 39.410 38.487 0.108 0.000 1.380 1058 N HN 0.676 nan 8.380 nan 0.000 0.548 1059 C N 2.961 122.020 119.300 -0.401 0.000 2.609 1059 C HA 0.430 4.890 4.460 -0.001 0.000 0.313 1059 C C 1.702 176.523 174.990 -0.281 0.000 1.175 1059 C CA -0.516 58.164 59.018 -0.562 0.000 1.434 1059 C CB 0.500 27.555 27.740 -1.142 0.000 2.005 1059 C HN 0.960 nan 8.230 nan 0.000 0.471 1060 H N 1.483 120.349 119.070 -0.339 0.000 2.457 1060 H HA -0.066 4.489 4.556 -0.000 0.000 0.297 1060 H C 1.135 176.243 175.328 -0.367 0.000 1.092 1060 H CA 2.388 58.218 56.048 -0.364 0.000 1.309 1060 H CB 0.008 29.472 29.762 -0.496 0.000 1.382 1060 H HN 0.874 nan 8.280 nan 0.000 0.535 1061 H N -1.433 117.595 119.070 -0.070 0.000 2.505 1061 H HA 0.343 4.899 4.556 -0.001 0.000 0.289 1061 H C -0.660 174.597 175.328 -0.119 0.000 1.052 1061 H CA -0.215 55.790 56.048 -0.071 0.000 1.156 1061 H CB 0.739 30.527 29.762 0.043 0.000 1.507 1061 H HN 0.006 nan 8.280 nan 0.000 0.548 1062 V N 1.400 121.254 119.914 -0.100 0.000 2.638 1062 V HA 0.122 4.241 4.120 -0.001 0.000 0.306 1062 V C 0.027 176.058 176.094 -0.104 0.000 1.052 1062 V CA -1.127 61.107 62.300 -0.110 0.000 0.885 1062 V CB 2.448 34.166 31.823 -0.176 0.000 0.999 1062 V HN -0.033 nan 8.190 nan 0.000 0.424 1063 V N 5.353 125.221 119.914 -0.076 0.000 2.617 1063 V HA 0.112 4.231 4.120 -0.001 0.000 0.304 1063 V C 0.840 176.913 176.094 -0.034 0.000 1.040 1063 V CA 0.142 62.407 62.300 -0.058 0.000 1.149 1063 V CB 0.123 31.914 31.823 -0.053 0.000 0.914 1063 V HN 0.750 nan 8.190 nan 0.000 0.487 1064 R N 3.226 123.719 120.500 -0.013 0.000 2.357 1064 R HA 0.387 4.727 4.340 -0.001 0.000 0.296 1064 R C -0.404 175.921 176.300 0.041 0.000 1.052 1064 R CA -0.896 55.218 56.100 0.023 0.000 0.988 1064 R CB 1.052 31.378 30.300 0.043 0.000 1.025 1064 R HN 0.542 nan 8.270 nan 0.000 0.469 1065 L N 3.818 125.054 121.223 0.021 0.000 2.410 1065 L HA 0.063 4.403 4.340 -0.001 0.000 0.273 1065 L C 0.275 177.260 176.870 0.191 0.000 1.152 1065 L CA 0.768 55.603 54.840 -0.008 0.000 0.855 1065 L CB 0.545 42.447 42.059 -0.262 0.000 1.129 1065 L HN 0.694 nan 8.230 nan 0.000 0.463 1066 L N 4.382 125.729 121.223 0.207 0.000 2.717 1066 L HA 0.549 4.889 4.340 -0.001 0.000 0.239 1066 L C 0.790 177.874 176.870 0.357 0.000 1.086 1066 L CA 0.303 55.317 54.840 0.289 0.000 0.897 1066 L CB 0.273 42.423 42.059 0.152 0.000 1.214 1066 L HN 0.834 nan 8.230 nan 0.000 0.508 1067 G N -0.583 108.402 108.800 0.309 0.000 2.328 1067 G HA2 0.471 4.430 3.960 -0.001 0.000 0.295 1067 G HA3 0.471 4.430 3.960 -0.001 0.000 0.295 1067 G C -2.061 172.937 174.900 0.163 0.000 1.413 1067 G CA -0.455 44.829 45.100 0.306 0.000 0.817 1067 G HN -0.305 nan 8.290 nan 0.000 0.546 1068 V N -0.646 119.367 119.914 0.165 0.000 2.888 1068 V HA 0.683 4.802 4.120 -0.001 0.000 0.309 1068 V C -0.585 175.565 176.094 0.093 0.000 1.114 1068 V CA -0.743 61.606 62.300 0.081 0.000 0.940 1068 V CB 2.080 33.940 31.823 0.060 0.000 1.021 1068 V HN 0.868 nan 8.190 nan 0.000 0.426 1069 V N 2.982 122.931 119.914 0.058 0.000 2.325 1069 V HA 0.356 4.475 4.120 -0.001 0.000 0.280 1069 V C 0.669 176.784 176.094 0.036 0.000 1.016 1069 V CA 0.205 62.539 62.300 0.056 0.000 0.818 1069 V CB 1.321 33.169 31.823 0.042 0.000 1.019 1069 V HN 1.046 nan 8.190 nan 0.000 0.434 1070 S N 2.370 118.103 115.700 0.055 0.000 2.559 1070 S HA 0.247 4.716 4.470 -0.001 0.000 0.226 1070 S C 0.389 175.027 174.600 0.064 0.000 1.000 1070 S CA -0.429 57.795 58.200 0.040 0.000 0.948 1070 S CB 0.287 63.544 63.200 0.095 0.000 0.870 1070 S HN 0.592 nan 8.310 nan 0.000 0.497 1071 Q N 1.965 121.799 119.800 0.057 0.000 2.314 1071 Q HA 0.598 4.938 4.340 -0.001 0.000 0.259 1071 Q C 0.791 176.804 176.000 0.022 0.000 0.951 1071 Q CA 0.479 56.308 55.803 0.044 0.000 0.909 1071 Q CB 0.950 29.715 28.738 0.045 0.000 1.236 1071 Q HN 0.525 nan 8.270 nan 0.000 0.444 1072 G N 2.758 111.566 108.800 0.014 0.000 2.645 1072 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.239 1072 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.239 1072 G C -0.792 174.102 174.900 -0.010 0.000 1.331 1072 G CA -0.630 44.470 45.100 0.001 0.000 0.890 1072 G HN 0.512 nan 8.290 nan 0.000 0.572 1073 Q N 0.214 120.003 119.800 -0.018 0.000 2.394 1073 Q HA 0.588 4.928 4.340 -0.001 0.000 0.273 1073 Q C -2.091 173.890 176.000 -0.033 0.000 1.089 1073 Q CA -1.406 54.379 55.803 -0.030 0.000 0.812 1073 Q CB 2.301 31.020 28.738 -0.031 0.000 1.353 1073 Q HN 0.668 nan 8.270 nan 0.000 0.438 1074 P HA 0.214 nan 4.420 nan 0.000 0.278 1074 P C -0.655 176.608 177.300 -0.061 0.000 1.258 1074 P CA -0.342 62.722 63.100 -0.059 0.000 0.811 1074 P CB 0.551 32.216 31.700 -0.058 0.000 1.063 1075 T N 1.645 116.136 114.554 -0.105 0.000 2.870 1075 T HA 0.368 4.717 4.350 -0.001 0.000 0.300 1075 T C 0.294 174.970 174.700 -0.040 0.000 0.989 1075 T CA -0.026 62.022 62.100 -0.086 0.000 1.139 1075 T CB -0.139 68.631 68.868 -0.163 0.000 0.920 1075 T HN 0.193 nan 8.240 nan 0.000 0.537 1076 L N 2.679 123.953 121.223 0.084 0.000 2.370 1076 L HA 0.790 5.129 4.340 -0.001 0.000 0.266 1076 L C -0.684 176.303 176.870 0.195 0.000 1.002 1076 L CA -1.291 53.642 54.840 0.156 0.000 0.818 1076 L CB 2.079 44.182 42.059 0.073 0.000 1.325 1076 L HN 0.303 nan 8.230 nan 0.000 0.418 1077 V N 3.312 123.337 119.914 0.186 0.000 2.588 1077 V HA 0.458 4.577 4.120 -0.001 0.000 0.304 1077 V C -0.408 175.705 176.094 0.032 0.000 1.042 1077 V CA -0.483 61.820 62.300 0.006 0.000 0.877 1077 V CB 2.425 34.099 31.823 -0.248 0.000 0.996 1077 V HN 0.403 nan 8.190 nan 0.000 0.425 1078 I N 5.587 126.178 120.570 0.036 0.000 2.336 1078 I HA 0.551 4.721 4.170 -0.001 0.000 0.292 1078 I C -0.050 176.108 176.117 0.068 0.000 0.991 1078 I CA -0.232 61.104 61.300 0.059 0.000 1.227 1078 I CB 1.225 39.270 38.000 0.075 0.000 1.366 1078 I HN 0.539 nan 8.210 nan 0.000 0.466 1079 M N 3.607 123.260 119.600 0.087 0.000 2.644 1079 M HA 0.344 4.824 4.480 -0.001 0.000 0.304 1079 M C 0.149 176.515 176.300 0.110 0.000 1.215 1079 M CA -0.759 54.608 55.300 0.111 0.000 0.871 1079 M CB 2.571 35.283 32.600 0.187 0.000 1.740 1079 M HN 0.492 nan 8.290 nan 0.000 0.464 1080 E N 1.828 122.081 120.200 0.088 0.000 2.529 1080 E HA 0.034 4.383 4.350 -0.001 0.000 0.259 1080 E C -1.430 175.221 176.600 0.086 0.000 0.966 1080 E CA -0.228 56.211 56.400 0.065 0.000 0.937 1080 E CB 0.674 30.391 29.700 0.028 0.000 0.923 1080 E HN 0.462 nan 8.360 nan 0.000 0.468 1081 L N 5.629 126.896 121.223 0.073 0.000 2.319 1081 L HA 0.210 4.550 4.340 -0.001 0.000 0.280 1081 L C -0.648 176.252 176.870 0.049 0.000 1.099 1081 L CA 0.082 54.975 54.840 0.087 0.000 0.828 1081 L CB 1.088 43.186 42.059 0.066 0.000 1.150 1081 L HN 0.609 nan 8.230 nan 0.000 0.442 1082 M N 4.969 124.605 119.600 0.060 0.000 2.060 1082 M HA 0.201 4.681 4.480 -0.001 0.000 0.342 1082 M C 1.167 177.472 176.300 0.009 0.000 1.031 1082 M CA -0.257 55.047 55.300 0.006 0.000 0.981 1082 M CB 0.694 33.285 32.600 -0.015 0.000 1.376 1082 M HN 0.777 nan 8.290 nan 0.000 0.397 1083 T N -0.682 113.858 114.554 -0.022 0.000 2.962 1083 T HA -0.033 4.317 4.350 -0.001 0.000 0.270 1083 T C 1.398 176.087 174.700 -0.018 0.000 1.088 1083 T CA 0.978 63.069 62.100 -0.015 0.000 1.127 1083 T CB 0.017 68.861 68.868 -0.039 0.000 0.883 1083 T HN 0.602 nan 8.240 nan 0.000 0.493 1084 R N 1.063 121.528 120.500 -0.058 0.000 2.334 1084 R HA 0.429 4.769 4.340 -0.001 0.000 0.216 1084 R C 1.488 177.816 176.300 0.047 0.000 0.905 1084 R CA 0.241 56.321 56.100 -0.034 0.000 1.064 1084 R CB 0.002 30.191 30.300 -0.185 0.000 1.046 1084 R HN 0.580 nan 8.270 nan 0.000 0.508 1085 G N 2.269 111.097 108.800 0.047 0.000 2.632 1085 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.224 1085 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.224 1085 G C -0.799 174.143 174.900 0.072 0.000 1.341 1085 G CA -0.203 44.950 45.100 0.088 0.000 0.880 1085 G HN 0.517 nan 8.290 nan 0.000 0.566 1086 D N -0.670 119.793 120.400 0.105 0.000 2.362 1086 D HA 0.416 5.056 4.640 -0.001 0.000 0.242 1086 D C 1.549 177.931 176.300 0.137 0.000 1.132 1086 D CA -0.160 53.896 54.000 0.094 0.000 0.907 1086 D CB 1.011 41.887 40.800 0.127 0.000 1.195 1086 D HN 0.730 nan 8.370 nan 0.000 0.429 1087 L N 1.891 123.171 121.223 0.096 0.000 2.093 1087 L HA -0.056 4.284 4.340 -0.001 0.000 0.208 1087 L C 2.099 179.057 176.870 0.146 0.000 1.085 1087 L CA 1.709 56.628 54.840 0.131 0.000 0.755 1087 L CB -0.830 41.277 42.059 0.079 0.000 0.904 1087 L HN 0.698 nan 8.230 nan 0.000 0.435 1088 K N -1.000 119.438 120.400 0.064 0.000 2.032 1088 K HA -0.163 4.157 4.320 -0.001 0.000 0.209 1088 K C 2.065 178.718 176.600 0.088 0.000 1.048 1088 K CA 1.818 58.096 56.287 -0.016 0.000 0.927 1088 K CB -0.167 32.138 32.500 -0.325 0.000 0.712 1088 K HN 0.365 nan 8.250 nan 0.000 0.441 1089 S N -0.140 115.689 115.700 0.215 0.000 2.368 1089 S HA -0.174 4.295 4.470 -0.001 0.000 0.225 1089 S C 1.628 176.337 174.600 0.181 0.000 1.030 1089 S CA 1.319 59.677 58.200 0.264 0.000 0.999 1089 S CB -0.492 62.881 63.200 0.288 0.000 0.844 1089 S HN 0.432 nan 8.310 nan 0.000 0.459 1090 Y N 2.244 122.606 120.300 0.103 0.000 2.145 1090 Y HA -0.082 4.468 4.550 -0.000 0.000 0.286 1090 Y C 1.917 177.861 175.900 0.074 0.000 1.145 1090 Y CA 1.254 59.409 58.100 0.093 0.000 1.148 1090 Y CB -0.504 38.017 38.460 0.101 0.000 0.981 1090 Y HN 0.124 nan 8.280 nan 0.000 0.507 1091 L N -0.116 121.156 121.223 0.082 0.000 2.012 1091 L HA -0.278 4.061 4.340 -0.001 0.000 0.210 1091 L C 2.626 179.447 176.870 -0.082 0.000 1.073 1091 L CA 1.762 56.594 54.840 -0.013 0.000 0.748 1091 L CB -0.545 41.548 42.059 0.057 0.000 0.891 1091 L HN 0.161 nan 8.230 nan 0.000 0.431 1092 R N -0.221 120.265 120.500 -0.023 0.000 2.120 1092 R HA -0.143 4.196 4.340 -0.001 0.000 0.234 1092 R C 2.545 178.814 176.300 -0.052 0.000 1.123 1092 R CA 1.563 57.656 56.100 -0.011 0.000 0.975 1092 R CB -0.455 29.880 30.300 0.059 0.000 0.866 1092 R HN 0.491 nan 8.270 nan 0.000 0.446 1093 S N 0.840 116.481 115.700 -0.098 0.000 2.442 1093 S HA -0.066 4.404 4.470 -0.001 0.000 0.236 1093 S C 1.865 176.366 174.600 -0.165 0.000 1.007 1093 S CA 0.845 58.971 58.200 -0.123 0.000 0.965 1093 S CB -0.257 62.858 63.200 -0.142 0.000 0.773 1093 S HN 0.271 nan 8.310 nan 0.000 0.504 1094 L N 0.227 121.318 121.223 -0.220 0.000 2.492 1094 L HA 0.194 4.533 4.340 -0.001 0.000 0.223 1094 L C 1.224 178.031 176.870 -0.105 0.000 1.132 1094 L CA 0.062 54.794 54.840 -0.180 0.000 0.850 1094 L CB -0.302 41.633 42.059 -0.206 0.000 0.966 1094 L HN 0.146 nan 8.230 nan 0.000 0.454 1095 R N 1.486 121.935 120.500 -0.085 0.000 2.590 1095 R HA 0.171 4.510 4.340 -0.001 0.000 0.274 1095 R C -1.677 174.595 176.300 -0.047 0.000 1.061 1095 R CA -1.420 54.644 56.100 -0.059 0.000 1.081 1095 R CB -0.214 30.059 30.300 -0.044 0.000 0.984 1095 R HN -0.013 nan 8.270 nan 0.000 0.448 1107 P HA 0.217 nan 4.420 nan 0.000 0.264 1107 P C 0.379 177.648 177.300 -0.051 0.000 1.193 1107 P CA 0.202 63.273 63.100 -0.048 0.000 0.763 1107 P CB 0.652 32.335 31.700 -0.029 0.000 0.810 1108 S N 2.333 118.002 115.700 -0.052 0.000 2.580 1108 S HA -0.017 4.453 4.470 -0.001 0.000 0.266 1108 S C 1.231 175.803 174.600 -0.047 0.000 1.354 1108 S CA -0.675 57.496 58.200 -0.048 0.000 1.008 1108 S CB 0.396 63.568 63.200 -0.046 0.000 0.898 1108 S HN 0.406 nan 8.310 nan 0.000 0.555 1109 L N 1.814 123.011 121.223 -0.044 0.000 2.042 1109 L HA -0.069 4.271 4.340 -0.001 0.000 0.210 1109 L C 2.690 179.534 176.870 -0.043 0.000 1.076 1109 L CA 2.449 57.263 54.840 -0.043 0.000 0.749 1109 L CB -1.436 40.600 42.059 -0.038 0.000 0.893 1109 L HN 0.963 nan 8.230 nan 0.000 0.432 1110 S N -0.833 114.843 115.700 -0.041 0.000 2.359 1110 S HA -0.262 4.207 4.470 -0.001 0.000 0.224 1110 S C 2.074 176.647 174.600 -0.044 0.000 1.035 1110 S CA 1.799 59.974 58.200 -0.041 0.000 1.018 1110 S CB -0.218 62.960 63.200 -0.036 0.000 0.876 1110 S HN 0.565 nan 8.310 nan 0.000 0.448 1111 K N 0.272 120.644 120.400 -0.046 0.000 2.032 1111 K HA -0.072 4.247 4.320 -0.001 0.000 0.209 1111 K C 2.324 178.902 176.600 -0.037 0.000 1.048 1111 K CA 1.820 58.079 56.287 -0.046 0.000 0.927 1111 K CB -0.290 32.174 32.500 -0.061 0.000 0.712 1111 K HN 0.441 nan 8.250 nan 0.000 0.441 1112 M N 0.399 119.976 119.600 -0.040 0.000 2.117 1112 M HA -0.162 4.318 4.480 -0.001 0.000 0.262 1112 M C 2.211 178.486 176.300 -0.042 0.000 1.065 1112 M CA 1.532 56.809 55.300 -0.039 0.000 1.114 1112 M CB -0.389 32.182 32.600 -0.048 0.000 1.361 1112 M HN 0.139 nan 8.290 nan 0.000 0.408 1113 I N 0.050 120.590 120.570 -0.049 0.000 2.226 1113 I HA -0.305 3.864 4.170 -0.001 0.000 0.245 1113 I C 2.621 178.688 176.117 -0.082 0.000 1.100 1113 I CA 1.081 62.344 61.300 -0.061 0.000 1.374 1113 I CB -0.471 37.487 38.000 -0.070 0.000 1.057 1113 I HN 0.342 nan 8.210 nan 0.000 0.413 1114 Q N 0.190 119.946 119.800 -0.073 0.000 2.061 1114 Q HA -0.193 4.146 4.340 -0.001 0.000 0.204 1114 Q C 2.227 178.196 176.000 -0.052 0.000 0.984 1114 Q CA 1.767 57.524 55.803 -0.077 0.000 0.846 1114 Q CB -0.484 28.237 28.738 -0.027 0.000 0.902 1114 Q HN 0.563 nan 8.270 nan 0.000 0.421 1115 M N -0.086 119.503 119.600 -0.019 0.000 2.117 1115 M HA -0.125 4.354 4.480 -0.001 0.000 0.262 1115 M C 2.288 178.604 176.300 0.025 0.000 1.065 1115 M CA 1.507 56.811 55.300 0.007 0.000 1.114 1115 M CB -0.505 32.104 32.600 0.014 0.000 1.361 1115 M HN 0.196 nan 8.290 nan 0.000 0.408 1116 A N 0.819 123.655 122.820 0.026 0.000 1.892 1116 A HA -0.130 4.189 4.320 -0.001 0.000 0.218 1116 A C 2.360 180.054 177.584 0.182 0.000 1.188 1116 A CA 2.204 54.323 52.037 0.138 0.000 0.631 1116 A CB -1.656 17.399 19.000 0.093 0.000 0.822 1116 A HN 0.560 nan 8.150 nan 0.000 0.447 1117 G N -0.765 108.020 108.800 -0.026 0.000 2.418 1117 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.217 1117 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.217 1117 G C 1.428 176.256 174.900 -0.120 0.000 1.158 1117 G CA 0.998 45.991 45.100 -0.178 0.000 0.771 1117 G HN 0.668 nan 8.290 nan 0.000 0.545 1118 E N 0.079 120.187 120.200 -0.154 0.000 2.058 1118 E HA -0.102 4.248 4.350 -0.001 0.000 0.194 1118 E C 2.510 178.995 176.600 -0.191 0.000 0.997 1118 E CA 0.839 57.026 56.400 -0.354 0.000 0.801 1118 E CB -0.178 29.414 29.700 -0.179 0.000 0.746 1118 E HN 0.489 nan 8.360 nan 0.000 0.450 1119 I N 1.129 121.699 120.570 0.000 0.000 2.179 1119 I HA -0.272 3.898 4.170 -0.001 0.000 0.242 1119 I C 2.572 178.685 176.117 -0.006 0.000 1.088 1119 I CA 1.026 62.373 61.300 0.078 0.000 1.357 1119 I CB -0.335 37.812 38.000 0.245 0.000 1.051 1119 I HN 0.085 nan 8.210 nan 0.000 0.409 1120 A N 0.202 123.027 122.820 0.009 0.000 1.933 1120 A HA -0.301 4.019 4.320 -0.001 0.000 0.218 1120 A C 1.970 179.481 177.584 -0.121 0.000 1.175 1120 A CA 2.380 54.288 52.037 -0.216 0.000 0.628 1120 A CB -0.722 18.177 19.000 -0.168 0.000 0.814 1120 A HN 0.466 nan 8.150 nan 0.000 0.444 1121 D N -0.939 119.488 120.400 0.045 0.000 2.117 1121 D HA -0.007 4.633 4.640 -0.001 0.000 0.198 1121 D C 2.035 178.421 176.300 0.143 0.000 0.982 1121 D CA 1.545 55.675 54.000 0.216 0.000 0.828 1121 D CB -0.397 40.623 40.800 0.367 0.000 0.967 1121 D HN 0.290 nan 8.370 nan 0.000 0.464 1122 G N 0.221 109.055 108.800 0.057 0.000 2.440 1122 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.218 1122 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.218 1122 G C 1.520 176.342 174.900 -0.129 0.000 1.154 1122 G CA 0.828 45.932 45.100 0.006 0.000 0.767 1122 G HN 0.182 nan 8.290 nan 0.000 0.552 1123 M N 1.068 120.476 119.600 -0.320 0.000 2.175 1123 M HA 0.098 4.577 4.480 -0.001 0.000 0.264 1123 M C 3.015 179.032 176.300 -0.472 0.000 1.063 1123 M CA 1.145 56.085 55.300 -0.601 0.000 1.119 1123 M CB -1.216 30.512 32.600 -1.453 0.000 1.377 1123 M HN 0.321 nan 8.290 nan 0.000 0.415 1124 A N -0.591 122.064 122.820 -0.275 0.000 1.902 1124 A HA -0.232 4.088 4.320 -0.001 0.000 0.217 1124 A C 2.161 179.623 177.584 -0.202 0.000 1.181 1124 A CA 1.552 53.617 52.037 0.048 0.000 0.623 1124 A CB -1.206 18.013 19.000 0.364 0.000 0.818 1124 A HN 0.511 nan 8.150 nan 0.000 0.443 1125 Y N 0.503 120.446 120.300 -0.594 0.000 2.097 1125 Y HA -0.213 4.336 4.550 -0.001 0.000 0.282 1125 Y C 2.003 177.505 175.900 -0.663 0.000 1.152 1125 Y CA 2.044 59.480 58.100 -1.106 0.000 1.136 1125 Y CB -0.340 37.666 38.460 -0.758 0.000 0.975 1125 Y HN 0.225 nan 8.280 nan 0.000 0.498 1126 L N 0.243 121.217 121.223 -0.415 0.000 1.994 1126 L HA -0.284 4.056 4.340 -0.001 0.000 0.208 1126 L C 2.200 178.941 176.870 -0.215 0.000 1.071 1126 L CA 2.071 56.648 54.840 -0.438 0.000 0.745 1126 L CB -0.785 41.145 42.059 -0.215 0.000 0.892 1126 L HN 0.343 nan 8.230 nan 0.000 0.431 1127 N N -0.273 118.367 118.700 -0.100 0.000 2.149 1127 N HA -0.182 4.557 4.740 -0.001 0.000 0.188 1127 N C 1.848 177.328 175.510 -0.051 0.000 1.019 1127 N CA 0.981 54.033 53.050 0.003 0.000 0.857 1127 N CB -0.142 38.414 38.487 0.115 0.000 0.997 1127 N HN 0.332 nan 8.380 nan 0.000 0.426 1128 A N 1.112 123.842 122.820 -0.149 0.000 2.015 1128 A HA -0.055 4.264 4.320 -0.001 0.000 0.219 1128 A C 1.469 178.972 177.584 -0.135 0.000 1.163 1128 A CA 1.044 53.019 52.037 -0.103 0.000 0.646 1128 A CB -0.081 18.869 19.000 -0.083 0.000 0.806 1128 A HN 0.278 nan 8.150 nan 0.000 0.448 1129 N N 0.231 118.781 118.700 -0.251 0.000 2.322 1129 N HA 0.034 4.774 4.740 -0.001 0.000 0.216 1129 N C -0.533 175.002 175.510 0.043 0.000 1.144 1129 N CA 0.068 53.042 53.050 -0.126 0.000 0.830 1129 N CB 0.369 38.719 38.487 -0.229 0.000 1.034 1129 N HN 0.184 nan 8.380 nan 0.000 0.484 1130 K N -0.247 120.171 120.400 0.030 0.000 3.160 1130 K HA -0.224 4.095 4.320 -0.001 0.000 0.280 1130 K C -0.427 176.249 176.600 0.127 0.000 1.154 1130 K CA 0.562 56.888 56.287 0.065 0.000 0.822 1130 K CB -2.436 30.098 32.500 0.057 0.000 1.239 1130 K HN 0.299 nan 8.250 nan 0.000 0.489 1131 F N 0.827 120.764 119.950 -0.023 0.000 2.361 1131 F HA 0.362 4.889 4.527 -0.000 0.000 0.364 1131 F C 0.209 176.003 175.800 -0.010 0.000 1.117 1131 F CA -0.940 57.059 58.000 -0.003 0.000 1.071 1131 F CB 1.033 40.010 39.000 -0.038 0.000 1.188 1131 F HN -0.160 nan 8.300 nan 0.000 0.464 1132 V N 6.947 126.691 119.914 -0.283 0.000 2.407 1132 V HA 0.064 4.183 4.120 -0.001 0.000 0.278 1132 V C 1.129 177.030 176.094 -0.322 0.000 1.037 1132 V CA -0.321 61.889 62.300 -0.149 0.000 0.900 1132 V CB 1.028 32.809 31.823 -0.070 0.000 0.983 1132 V HN 0.825 nan 8.190 nan 0.000 0.459 1133 H N 5.321 124.340 119.070 -0.084 0.000 2.307 1133 H HA -0.008 4.548 4.556 -0.001 0.000 0.303 1133 H C 1.587 176.857 175.328 -0.098 0.000 1.073 1133 H CA 2.072 58.116 56.048 -0.006 0.000 1.338 1133 H CB 0.382 30.249 29.762 0.175 0.000 1.389 1133 H HN 0.748 nan 8.280 nan 0.000 0.503 1134 R N -1.010 119.595 120.500 0.175 0.000 3.749 1134 R HA -0.176 4.164 4.340 -0.001 0.000 0.476 1134 R C -0.326 176.010 176.300 0.059 0.000 0.814 1134 R CA 1.328 57.375 56.100 -0.087 0.000 1.494 1134 R CB -1.505 28.436 30.300 -0.598 0.000 2.164 1134 R HN 0.330 nan 8.270 nan 0.000 0.473 1135 D N 0.268 120.894 120.400 0.377 0.000 2.940 1135 D HA 0.159 4.799 4.640 -0.001 0.000 0.366 1135 D C -1.029 175.304 176.300 0.055 0.000 1.446 1135 D CA -0.445 53.706 54.000 0.252 0.000 0.780 1135 D CB 0.366 41.318 40.800 0.253 0.000 1.206 1135 D HN 0.050 nan 8.370 nan 0.000 0.454 1136 L N 1.602 122.769 121.223 -0.094 0.000 2.455 1136 L HA 0.615 4.955 4.340 -0.001 0.000 0.272 1136 L C -0.429 176.406 176.870 -0.058 0.000 1.174 1136 L CA 0.410 55.109 54.840 -0.235 0.000 0.869 1136 L CB 0.449 42.477 42.059 -0.052 0.000 1.130 1136 L HN 0.235 nan 8.230 nan 0.000 0.474 1137 A N 3.778 126.517 122.820 -0.135 0.000 2.583 1137 A HA 0.641 4.961 4.320 -0.001 0.000 0.292 1137 A C 0.387 177.914 177.584 -0.095 0.000 1.045 1137 A CA -0.169 51.730 52.037 -0.229 0.000 0.672 1137 A CB 0.066 18.515 19.000 -0.920 0.000 1.283 1137 A HN 1.117 nan 8.150 nan 0.000 0.419 1138 A N 0.804 123.634 122.820 0.016 0.000 1.978 1138 A HA -0.150 4.170 4.320 -0.001 0.000 0.220 1138 A C 1.922 179.477 177.584 -0.048 0.000 1.170 1138 A CA 2.078 54.126 52.037 0.019 0.000 0.636 1138 A CB -0.632 18.413 19.000 0.075 0.000 0.810 1138 A HN 1.189 nan 8.150 nan 0.000 0.448 1139 R N -0.931 119.481 120.500 -0.146 0.000 2.241 1139 R HA -0.025 4.315 4.340 -0.001 0.000 0.224 1139 R C 0.184 176.471 176.300 -0.021 0.000 1.101 1139 R CA 1.516 57.556 56.100 -0.100 0.000 0.995 1139 R CB -0.391 29.809 30.300 -0.166 0.000 0.870 1139 R HN 0.328 nan 8.270 nan 0.000 0.463 1140 N N 0.031 118.699 118.700 -0.052 0.000 2.273 1140 N HA 0.144 4.883 4.740 -0.001 0.000 0.231 1140 N C -1.020 174.479 175.510 -0.017 0.000 1.134 1140 N CA -0.160 52.882 53.050 -0.013 0.000 0.856 1140 N CB 0.684 39.188 38.487 0.027 0.000 1.068 1140 N HN 0.146 nan 8.380 nan 0.000 0.510 1141 C N 0.742 120.028 119.300 -0.022 0.000 2.493 1141 C HA 0.628 5.087 4.460 -0.001 0.000 0.326 1141 C C 0.276 175.253 174.990 -0.022 0.000 1.200 1141 C CA -0.792 58.218 59.018 -0.014 0.000 1.739 1141 C CB 1.189 28.934 27.740 0.008 0.000 2.300 1141 C HN 0.198 nan 8.230 nan 0.000 0.500 1142 M N 1.625 121.203 119.600 -0.036 0.000 2.644 1142 M HA 0.626 5.106 4.480 -0.001 0.000 0.304 1142 M C -1.213 175.061 176.300 -0.043 0.000 1.215 1142 M CA -0.675 54.597 55.300 -0.047 0.000 0.871 1142 M CB 1.945 34.491 32.600 -0.090 0.000 1.740 1142 M HN 0.281 nan 8.290 nan 0.000 0.464 1143 V N 1.322 121.200 119.914 -0.060 0.000 2.448 1143 V HA 0.675 4.795 4.120 -0.001 0.000 0.295 1143 V C 0.098 176.112 176.094 -0.134 0.000 1.025 1143 V CA -0.801 61.433 62.300 -0.109 0.000 0.859 1143 V CB 1.294 32.989 31.823 -0.214 0.000 0.988 1143 V HN 0.997 nan 8.190 nan 0.000 0.431 1144 A N 2.781 125.521 122.820 -0.133 0.000 2.272 1144 A HA 0.515 4.834 4.320 -0.001 0.000 0.275 1144 A C 1.268 178.698 177.584 -0.257 0.000 1.096 1144 A CA 0.017 51.968 52.037 -0.143 0.000 0.822 1144 A CB 0.328 19.269 19.000 -0.097 0.000 1.088 1144 A HN 0.959 nan 8.150 nan 0.000 0.495 1145 E N 0.125 120.197 120.200 -0.213 0.000 2.130 1145 E HA -0.245 4.105 4.350 -0.001 0.000 0.196 1145 E C 0.956 177.316 176.600 -0.400 0.000 0.998 1145 E CA 2.147 58.382 56.400 -0.276 0.000 0.806 1145 E CB -0.054 29.561 29.700 -0.143 0.000 0.738 1145 E HN 0.729 nan 8.360 nan 0.000 0.459 1146 D N -1.490 118.772 120.400 -0.229 0.000 2.325 1146 D HA -0.082 4.557 4.640 -0.001 0.000 0.225 1146 D C -0.032 176.299 176.300 0.051 0.000 1.096 1146 D CA -0.114 53.833 54.000 -0.089 0.000 0.844 1146 D CB -0.425 40.393 40.800 0.030 0.000 0.925 1146 D HN 0.317 nan 8.370 nan 0.000 0.513 1147 F N -1.161 118.762 119.950 -0.045 0.000 2.656 1147 F HA -0.237 4.289 4.527 -0.001 0.000 0.381 1147 F C 0.447 176.218 175.800 -0.048 0.000 0.603 1147 F CA 0.725 58.673 58.000 -0.087 0.000 1.335 1147 F CB -2.634 36.322 39.000 -0.073 0.000 1.836 1147 F HN -0.113 nan 8.300 nan 0.000 0.290 1148 T N 2.243 116.860 114.554 0.106 0.000 2.871 1148 T HA 0.370 4.719 4.350 -0.001 0.000 0.296 1148 T C 0.542 175.276 174.700 0.056 0.000 0.998 1148 T CA -0.056 62.110 62.100 0.110 0.000 1.162 1148 T CB 0.972 69.902 68.868 0.102 0.000 0.947 1148 T HN 0.067 nan 8.240 nan 0.000 0.536 1149 V N 5.442 125.403 119.914 0.078 0.000 2.509 1149 V HA 0.414 4.533 4.120 -0.001 0.000 0.284 1149 V C 0.352 176.486 176.094 0.066 0.000 1.047 1149 V CA -0.405 61.922 62.300 0.045 0.000 0.952 1149 V CB 1.132 32.979 31.823 0.039 0.000 0.988 1149 V HN 0.759 nan 8.190 nan 0.000 0.469 1150 K N 4.069 124.483 120.400 0.024 0.000 2.435 1150 K HA 0.584 4.904 4.320 -0.001 0.000 0.251 1150 K C -1.273 175.326 176.600 -0.002 0.000 0.954 1150 K CA -0.999 55.300 56.287 0.020 0.000 0.820 1150 K CB 2.482 34.962 32.500 -0.033 0.000 1.292 1150 K HN 0.354 nan 8.250 nan 0.000 0.436 1151 I N 2.079 122.649 120.570 -0.000 0.000 2.533 1151 I HA 0.295 4.464 4.170 -0.001 0.000 0.284 1151 I C 0.680 176.794 176.117 -0.005 0.000 1.109 1151 I CA 0.543 61.847 61.300 0.006 0.000 1.412 1151 I CB -0.218 37.794 38.000 0.019 0.000 1.396 1151 I HN 0.818 nan 8.210 nan 0.000 0.543 1152 G N 5.313 114.112 108.800 -0.002 0.000 2.404 1152 G HA2 0.496 4.456 3.960 -0.001 0.000 0.298 1152 G HA3 0.496 4.456 3.960 -0.001 0.000 0.298 1152 G C -1.855 172.964 174.900 -0.135 0.000 1.577 1152 G CA -0.790 44.274 45.100 -0.059 0.000 0.847 1152 G HN 0.802 nan 8.290 nan 0.000 0.598 1153 D N -1.675 118.606 120.400 -0.199 0.000 2.710 1153 D HA 0.554 5.194 4.640 -0.001 0.000 0.276 1153 D C -0.702 175.433 176.300 -0.274 0.000 1.267 1153 D CA -0.802 53.017 54.000 -0.302 0.000 0.772 1153 D CB 0.622 41.385 40.800 -0.061 0.000 1.299 1153 D HN 0.243 nan 8.370 nan 0.000 0.421 1154 F N 0.479 120.479 119.950 0.083 0.000 2.639 1154 F HA 0.616 5.143 4.527 -0.001 0.000 0.302 1154 F C 1.097 176.967 175.800 0.117 0.000 1.097 1154 F CA 0.039 58.096 58.000 0.094 0.000 1.294 1154 F CB 0.678 39.729 39.000 0.086 0.000 1.027 1154 F HN 0.855 nan 8.300 nan 0.000 0.550 1155 G N 1.204 110.125 108.800 0.203 0.000 3.405 1155 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.676 1155 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.676 1155 G C 0.151 175.097 174.900 0.076 0.000 1.039 1155 G CA -0.639 44.530 45.100 0.115 0.000 0.855 1155 G HN 0.021 nan 8.290 nan 0.000 0.443 1156 M N 2.505 122.133 119.600 0.047 0.000 2.383 1156 M HA 0.079 4.558 4.480 -0.001 0.000 0.247 1156 M C 2.326 178.647 176.300 0.035 0.000 1.117 1156 M CA 1.196 56.561 55.300 0.108 0.000 0.995 1156 M CB -0.280 32.459 32.600 0.232 0.000 1.480 1156 M HN 0.902 nan 8.290 nan 0.000 0.485 1157 T N -2.686 111.750 114.554 -0.196 0.000 3.088 1157 T HA 0.089 4.438 4.350 -0.001 0.000 0.259 1157 T C 1.594 176.212 174.700 -0.137 0.000 1.122 1157 T CA 0.493 62.374 62.100 -0.366 0.000 1.095 1157 T CB 0.054 68.590 68.868 -0.554 0.000 0.930 1157 T HN 0.375 nan 8.240 nan 0.000 0.508 1158 R N -0.177 120.275 120.500 -0.080 0.000 2.476 1158 R HA 0.373 4.713 4.340 -0.001 0.000 0.276 1158 R C -0.090 176.192 176.300 -0.030 0.000 0.941 1158 R CA -0.054 56.011 56.100 -0.057 0.000 1.088 1158 R CB 0.448 30.698 30.300 -0.083 0.000 1.216 1158 R HN 0.346 nan 8.270 nan 0.000 0.533 1159 D N -0.080 120.310 120.400 -0.017 0.000 2.568 1159 D HA 0.140 4.779 4.640 -0.001 0.000 0.219 1159 D C 1.239 177.495 176.300 -0.073 0.000 1.239 1159 D CA -0.509 53.462 54.000 -0.047 0.000 1.096 1159 D CB 0.691 41.454 40.800 -0.061 0.000 1.198 1159 D HN -0.061 nan 8.370 nan 0.000 0.620 1160 I N -1.195 119.254 120.570 -0.202 0.000 2.830 1160 I HA -0.026 4.144 4.170 -0.001 0.000 0.263 1160 I C 0.442 176.423 176.117 -0.227 0.000 1.230 1160 I CA 0.957 62.102 61.300 -0.259 0.000 1.480 1160 I CB -0.280 37.491 38.000 -0.383 0.000 1.095 1160 I HN 0.174 nan 8.210 nan 0.000 0.455 1161 Y N 2.488 122.849 120.300 0.102 0.000 2.532 1161 Y HA 0.174 4.723 4.550 -0.001 0.000 0.283 1161 Y C 2.112 178.131 175.900 0.197 0.000 1.181 1161 Y CA -0.837 57.338 58.100 0.126 0.000 1.256 1161 Y CB -1.073 37.446 38.460 0.099 0.000 1.112 1161 Y HN 0.406 nan 8.280 nan 0.000 0.521 1162 E N -0.320 120.034 120.200 0.256 0.000 2.171 1162 E HA -0.235 4.115 4.350 -0.001 0.000 0.197 1162 E C 1.464 178.259 176.600 0.324 0.000 0.997 1162 E CA 1.904 58.467 56.400 0.271 0.000 0.810 1162 E CB -0.635 29.143 29.700 0.130 0.000 0.738 1162 E HN 0.433 nan 8.360 nan 0.000 0.467 1163 T N -1.415 113.290 114.554 0.252 0.000 3.163 1163 T HA -0.034 4.316 4.350 -0.001 0.000 0.260 1163 T C 0.793 175.624 174.700 0.218 0.000 1.156 1163 T CA 0.727 62.960 62.100 0.220 0.000 1.072 1163 T CB -0.065 68.907 68.868 0.173 0.000 0.937 1163 T HN -0.005 nan 8.240 nan 0.000 0.528 1164 D N 0.455 120.973 120.400 0.196 0.000 2.363 1164 D HA 0.126 4.765 4.640 -0.001 0.000 0.226 1164 D C -0.512 175.631 176.300 -0.262 0.000 1.020 1164 D CA 0.472 54.481 54.000 0.015 0.000 0.892 1164 D CB -0.107 40.538 40.800 -0.258 0.000 0.900 1164 D HN 0.564 nan 8.370 nan 0.000 0.531 1165 Y N -0.833 119.584 120.300 0.195 0.000 2.485 1165 Y HA 0.401 4.950 4.550 -0.001 0.000 0.345 1165 Y C -0.631 175.418 175.900 0.247 0.000 0.998 1165 Y CA -1.397 56.819 58.100 0.193 0.000 1.059 1165 Y CB 1.408 39.938 38.460 0.117 0.000 1.234 1165 Y HN -0.228 nan 8.280 nan 0.000 0.461 1166 Y N 2.939 123.379 120.300 0.233 0.000 2.361 1166 Y HA 0.547 5.096 4.550 -0.001 0.000 0.337 1166 Y C -0.948 175.030 175.900 0.131 0.000 0.965 1166 Y CA -1.965 56.224 58.100 0.147 0.000 1.091 1166 Y CB 1.401 39.926 38.460 0.108 0.000 1.182 1166 Y HN 0.643 nan 8.280 nan 0.000 0.450 1167 R N 6.566 126.934 120.500 -0.221 0.000 2.363 1167 R HA 0.279 4.619 4.340 -0.001 0.000 0.297 1167 R C -0.505 175.504 176.300 -0.486 0.000 1.208 1167 R CA -0.467 55.462 56.100 -0.285 0.000 1.121 1167 R CB 0.617 30.863 30.300 -0.090 0.000 1.124 1167 R HN 0.858 nan 8.270 nan 0.000 0.561 1173 L N 0.900 122.124 121.223 0.002 0.000 2.360 1173 L HA 0.509 4.848 4.340 -0.001 0.000 0.276 1173 L C -0.371 176.617 176.870 0.196 0.000 1.121 1173 L CA -0.193 54.689 54.840 0.071 0.000 0.845 1173 L CB 0.709 42.751 42.059 -0.029 0.000 1.143 1173 L HN 0.235 nan 8.230 nan 0.000 0.452 1174 L N 6.015 127.406 121.223 0.280 0.000 2.362 1174 L HA 0.427 4.767 4.340 -0.001 0.000 0.275 1174 L C -2.093 174.996 176.870 0.366 0.000 0.998 1174 L CA -1.684 53.353 54.840 0.329 0.000 0.820 1174 L CB 2.182 44.399 42.059 0.264 0.000 1.270 1174 L HN 0.383 nan 8.230 nan 0.000 0.415 1175 P HA 0.017 nan 4.420 nan 0.000 0.225 1175 P C 1.037 178.526 177.300 0.315 0.000 1.813 1175 P CA -0.220 62.955 63.100 0.125 0.000 1.013 1175 P CB 0.284 32.000 31.700 0.027 0.000 1.961 1176 V N 0.977 121.053 119.914 0.270 0.000 2.469 1176 V HA -0.219 3.900 4.120 -0.001 0.000 0.251 1176 V C 2.055 178.226 176.094 0.128 0.000 1.064 1176 V CA 1.268 63.681 62.300 0.189 0.000 1.066 1176 V CB -1.432 30.476 31.823 0.142 0.000 0.667 1176 V HN 0.165 nan 8.190 nan 0.000 0.461 1177 R N -1.092 119.514 120.500 0.177 0.000 2.316 1177 R HA 0.046 4.386 4.340 -0.001 0.000 0.202 1177 R C 1.743 177.977 176.300 -0.110 0.000 1.029 1177 R CA 1.328 57.413 56.100 -0.024 0.000 1.018 1177 R CB -0.182 29.988 30.300 -0.218 0.000 0.888 1177 R HN 0.639 nan 8.270 nan 0.000 0.471 1178 W N -0.232 121.167 121.300 0.164 0.000 3.127 1178 W HA 0.294 4.953 4.660 -0.001 0.000 0.344 1178 W C 0.073 176.782 176.519 0.316 0.000 1.151 1178 W CA -0.487 57.011 57.345 0.254 0.000 1.765 1178 W CB 0.319 29.889 29.460 0.184 0.000 1.085 1178 W HN 0.003 nan 8.180 nan 0.000 0.596 1179 M N 0.988 120.765 119.600 0.295 0.000 2.277 1179 M HA 0.106 4.586 4.480 -0.001 0.000 0.350 1179 M C 1.077 177.076 176.300 -0.501 0.000 1.180 1179 M CA 0.031 55.362 55.300 0.051 0.000 1.103 1179 M CB 1.450 34.075 32.600 0.041 0.000 1.577 1179 M HN -0.264 nan 8.290 nan 0.000 0.459 1180 S N 2.358 117.627 115.700 -0.717 0.000 2.579 1180 S HA 0.214 4.683 4.470 -0.001 0.000 0.275 1180 S C -2.079 171.937 174.600 -0.972 0.000 1.345 1180 S CA -1.080 56.326 58.200 -1.324 0.000 1.031 1180 S CB 0.326 63.148 63.200 -0.630 0.000 0.892 1180 S HN 0.458 nan 8.310 nan 0.000 0.529 1181 P HA -0.197 nan 4.420 nan 0.000 0.216 1181 P C 1.688 178.688 177.300 -0.500 0.000 1.153 1181 P CA 1.604 64.272 63.100 -0.720 0.000 0.858 1181 P CB -0.106 31.035 31.700 -0.931 0.000 0.789 1182 E N -0.293 119.612 120.200 -0.492 0.000 2.106 1182 E HA -0.096 4.254 4.350 -0.001 0.000 0.192 1182 E C 1.728 178.146 176.600 -0.304 0.000 0.984 1182 E CA 1.392 57.599 56.400 -0.322 0.000 0.806 1182 E CB -1.231 28.316 29.700 -0.254 0.000 0.750 1182 E HN 0.145 nan 8.360 nan 0.000 0.458 1183 S N 1.387 116.853 115.700 -0.389 0.000 2.383 1183 S HA -0.001 4.469 4.470 -0.001 0.000 0.227 1183 S C 2.167 176.549 174.600 -0.362 0.000 1.026 1183 S CA 0.933 58.838 58.200 -0.491 0.000 0.981 1183 S CB -0.307 62.467 63.200 -0.710 0.000 0.818 1183 S HN 0.202 nan 8.310 nan 0.000 0.472 1184 L N 1.233 122.277 121.223 -0.299 0.000 2.131 1184 L HA -0.122 4.217 4.340 -0.001 0.000 0.210 1184 L C 2.531 179.317 176.870 -0.139 0.000 1.092 1184 L CA 1.235 55.963 54.840 -0.186 0.000 0.759 1184 L CB -0.350 41.594 42.059 -0.193 0.000 0.903 1184 L HN 0.271 nan 8.230 nan 0.000 0.435 1185 K N 0.017 120.321 120.400 -0.161 0.000 2.044 1185 K HA -0.159 4.160 4.320 -0.001 0.000 0.204 1185 K C 1.375 177.920 176.600 -0.093 0.000 1.049 1185 K CA 1.719 57.940 56.287 -0.109 0.000 0.945 1185 K CB 0.168 32.605 32.500 -0.105 0.000 0.724 1185 K HN 0.372 nan 8.250 nan 0.000 0.440 1186 D N -2.340 117.988 120.400 -0.120 0.000 2.500 1186 D HA 0.091 4.731 4.640 -0.001 0.000 0.217 1186 D C 0.886 177.128 176.300 -0.096 0.000 1.159 1186 D CA 0.671 54.617 54.000 -0.090 0.000 0.828 1186 D CB 0.657 41.410 40.800 -0.077 0.000 1.039 1186 D HN 0.361 nan 8.370 nan 0.000 0.512 1187 G N 0.185 108.889 108.800 -0.160 0.000 2.148 1187 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.254 1187 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.254 1187 G C 0.081 174.882 174.900 -0.165 0.000 0.981 1187 G CA 0.413 45.427 45.100 -0.144 0.000 0.670 1187 G HN 0.405 nan 8.290 nan 0.000 0.528 1188 V N 0.534 120.310 119.914 -0.231 0.000 2.539 1188 V HA 0.754 4.874 4.120 -0.001 0.000 0.292 1188 V C 0.130 176.035 176.094 -0.314 0.000 1.045 1188 V CA -0.601 61.627 62.300 -0.119 0.000 0.945 1188 V CB 1.284 33.080 31.823 -0.046 0.000 0.993 1188 V HN 0.191 nan 8.190 nan 0.000 0.464 1189 F N 2.185 122.139 119.950 0.006 0.000 2.480 1189 F HA 0.733 5.260 4.527 -0.001 0.000 0.329 1189 F C 0.590 176.392 175.800 0.004 0.000 1.091 1189 F CA -0.401 57.610 58.000 0.018 0.000 0.972 1189 F CB 2.208 41.223 39.000 0.025 0.000 1.150 1189 F HN 0.619 nan 8.300 nan 0.000 0.467 1190 T N -3.572 111.076 114.554 0.157 0.000 2.838 1190 T HA 0.287 4.637 4.350 -0.001 0.000 0.292 1190 T C 0.897 175.598 174.700 0.002 0.000 1.113 1190 T CA -0.085 62.028 62.100 0.022 0.000 1.008 1190 T CB 1.220 70.073 68.868 -0.026 0.000 1.259 1190 T HN 0.637 nan 8.240 nan 0.000 0.520 1191 T N -1.012 113.440 114.554 -0.170 0.000 2.759 1191 T HA -0.189 4.161 4.350 -0.001 0.000 0.269 1191 T C 1.500 176.174 174.700 -0.043 0.000 1.042 1191 T CA 1.487 63.535 62.100 -0.087 0.000 1.140 1191 T CB -1.072 67.703 68.868 -0.155 0.000 0.864 1191 T HN 0.644 nan 8.240 nan 0.000 0.455 1192 Y N 2.926 123.277 120.300 0.083 0.000 2.224 1192 Y HA -0.039 4.511 4.550 -0.001 0.000 0.289 1192 Y C 3.191 179.166 175.900 0.125 0.000 1.146 1192 Y CA 0.659 58.795 58.100 0.060 0.000 1.182 1192 Y CB -1.133 37.351 38.460 0.040 0.000 0.983 1192 Y HN 0.492 nan 8.280 nan 0.000 0.524 1193 S N -0.913 114.950 115.700 0.271 0.000 2.436 1193 S HA -0.113 4.357 4.470 -0.001 0.000 0.228 1193 S C 1.482 176.312 174.600 0.384 0.000 1.014 1193 S CA 0.922 59.291 58.200 0.281 0.000 0.950 1193 S CB -0.313 62.975 63.200 0.146 0.000 0.784 1193 S HN 0.295 nan 8.310 nan 0.000 0.504 1194 D N 1.926 122.542 120.400 0.360 0.000 2.123 1194 D HA -0.047 4.592 4.640 -0.001 0.000 0.196 1194 D C 2.056 178.647 176.300 0.485 0.000 0.992 1194 D CA 0.979 55.252 54.000 0.456 0.000 0.833 1194 D CB -0.500 40.611 40.800 0.520 0.000 0.954 1194 D HN 0.321 nan 8.370 nan 0.000 0.455 1195 V N 0.849 120.877 119.914 0.189 0.000 2.343 1195 V HA -0.195 3.925 4.120 -0.001 0.000 0.247 1195 V C 2.172 178.427 176.094 0.268 0.000 1.051 1195 V CA 1.218 63.478 62.300 -0.067 0.000 1.036 1195 V CB -0.460 31.180 31.823 -0.305 0.000 0.654 1195 V HN 0.389 nan 8.190 nan 0.000 0.451 1196 W N 1.280 122.706 121.300 0.211 0.000 2.317 1196 W HA -0.267 4.392 4.660 -0.001 0.000 0.318 1196 W C 2.551 179.323 176.519 0.421 0.000 1.227 1196 W CA 2.477 60.017 57.345 0.324 0.000 1.269 1196 W CB -0.695 28.909 29.460 0.240 0.000 1.155 1196 W HN 0.337 nan 8.180 nan 0.000 0.484 1197 S N 0.632 116.755 115.700 0.704 0.000 2.383 1197 S HA -0.247 4.222 4.470 -0.001 0.000 0.229 1197 S C 1.550 176.469 174.600 0.530 0.000 1.030 1197 S CA 1.633 60.221 58.200 0.646 0.000 1.002 1197 S CB -1.113 62.435 63.200 0.579 0.000 0.829 1197 S HN 0.344 nan 8.310 nan 0.000 0.467 1198 F N 2.661 122.822 119.950 0.352 0.000 2.126 1198 F HA -0.084 4.443 4.527 -0.001 0.000 0.299 1198 F C 2.288 178.178 175.800 0.150 0.000 1.096 1198 F CA 1.333 59.501 58.000 0.280 0.000 1.255 1198 F CB -0.980 38.242 39.000 0.370 0.000 0.997 1198 F HN 0.222 nan 8.300 nan 0.000 0.479 1199 G N -0.094 108.743 108.800 0.061 0.000 2.440 1199 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.218 1199 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.218 1199 G C 1.707 176.638 174.900 0.051 0.000 1.154 1199 G CA 1.295 46.206 45.100 -0.315 0.000 0.767 1199 G HN 0.358 nan 8.290 nan 0.000 0.552 1200 V N 0.586 120.723 119.914 0.371 0.000 2.407 1200 V HA -0.167 3.953 4.120 -0.001 0.000 0.248 1200 V C 3.006 179.273 176.094 0.288 0.000 1.055 1200 V CA 1.412 63.900 62.300 0.314 0.000 1.049 1200 V CB -0.467 31.382 31.823 0.044 0.000 0.662 1200 V HN 0.251 nan 8.190 nan 0.000 0.455 1201 V N 0.005 120.056 119.914 0.229 0.000 2.343 1201 V HA -0.269 3.851 4.120 -0.001 0.000 0.247 1201 V C 2.366 178.456 176.094 -0.007 0.000 1.051 1201 V CA 1.966 64.352 62.300 0.142 0.000 1.036 1201 V CB -0.615 31.238 31.823 0.050 0.000 0.654 1201 V HN 0.451 nan 8.190 nan 0.000 0.451 1202 L N -1.516 119.586 121.223 -0.202 0.000 2.043 1202 L HA -0.257 4.082 4.340 -0.001 0.000 0.212 1202 L C 2.333 179.208 176.870 0.008 0.000 1.075 1202 L CA 2.414 57.141 54.840 -0.189 0.000 0.752 1202 L CB -0.606 41.260 42.059 -0.322 0.000 0.891 1202 L HN 0.524 nan 8.230 nan 0.000 0.432 1203 W N 1.323 122.593 121.300 -0.050 0.000 2.358 1203 W HA -0.171 4.489 4.660 -0.001 0.000 0.303 1203 W C 2.450 178.967 176.519 -0.002 0.000 1.208 1203 W CA 1.544 58.906 57.345 0.028 0.000 1.274 1203 W CB 0.033 29.582 29.460 0.148 0.000 1.138 1203 W HN 0.091 nan 8.180 nan 0.000 0.515 1204 E N 0.241 120.620 120.200 0.298 0.000 2.058 1204 E HA -0.278 4.072 4.350 -0.001 0.000 0.194 1204 E C 2.091 178.675 176.600 -0.026 0.000 0.997 1204 E CA 1.983 58.473 56.400 0.150 0.000 0.801 1204 E CB -0.593 29.264 29.700 0.261 0.000 0.746 1204 E HN 0.367 nan 8.360 nan 0.000 0.450 1205 I N 1.167 121.729 120.570 -0.015 0.000 2.163 1205 I HA -0.284 3.886 4.170 -0.001 0.000 0.243 1205 I C 2.472 178.523 176.117 -0.110 0.000 1.085 1205 I CA 1.148 62.422 61.300 -0.044 0.000 1.347 1205 I CB -0.268 37.707 38.000 -0.042 0.000 1.044 1205 I HN 0.082 nan 8.210 nan 0.000 0.408 1206 A N 0.003 122.722 122.820 -0.168 0.000 2.119 1206 A HA -0.123 4.196 4.320 -0.001 0.000 0.217 1206 A C 2.083 179.471 177.584 -0.326 0.000 1.153 1206 A CA 1.794 53.697 52.037 -0.223 0.000 0.692 1206 A CB -0.768 18.102 19.000 -0.216 0.000 0.799 1206 A HN 0.533 nan 8.150 nan 0.000 0.458 1207 T N -3.627 110.666 114.554 -0.435 0.000 3.085 1207 T HA 0.431 4.781 4.350 -0.001 0.000 0.264 1207 T C 0.462 175.002 174.700 -0.267 0.000 1.019 1207 T CA 0.110 61.928 62.100 -0.471 0.000 0.910 1207 T CB -0.569 67.771 68.868 -0.881 0.000 1.059 1207 T HN 0.539 nan 8.240 nan 0.000 0.542 1208 L N 0.605 121.722 121.223 -0.177 0.000 3.660 1208 L HA -0.242 4.097 4.340 -0.001 0.000 0.440 1208 L C 0.897 177.727 176.870 -0.066 0.000 1.262 1208 L CA 0.131 54.911 54.840 -0.099 0.000 0.837 1208 L CB -2.531 39.472 42.059 -0.093 0.000 1.689 1208 L HN 0.762 nan 8.230 nan 0.000 0.890 1209 A N -0.959 121.829 122.820 -0.054 0.000 2.800 1209 A HA -0.194 4.125 4.320 -0.001 0.000 0.292 1209 A C 0.781 178.394 177.584 0.048 0.000 1.474 1209 A CA 1.474 53.528 52.037 0.028 0.000 0.744 1209 A CB -1.297 17.723 19.000 0.034 0.000 1.044 1209 A HN 0.693 nan 8.150 nan 0.000 0.489 1210 E N -0.124 120.075 120.200 -0.002 0.000 2.422 1210 E HA 0.134 4.484 4.350 -0.001 0.000 0.260 1210 E C 0.623 177.378 176.600 0.258 0.000 1.108 1210 E CA -0.098 56.353 56.400 0.086 0.000 0.943 1210 E CB 0.372 30.076 29.700 0.006 0.000 0.961 1210 E HN 0.661 nan 8.360 nan 0.000 0.443 1211 Q N 2.516 122.438 119.800 0.203 0.000 2.286 1211 Q HA 0.115 4.455 4.340 -0.001 0.000 0.267 1211 Q C -2.279 173.760 176.000 0.066 0.000 1.028 1211 Q CA -1.821 54.076 55.803 0.157 0.000 0.901 1211 Q CB 0.530 29.339 28.738 0.118 0.000 1.183 1211 Q HN 0.090 nan 8.270 nan 0.000 0.392 1212 P HA -0.080 nan 4.420 nan 0.000 0.265 1212 P C -1.292 175.721 177.300 -0.478 0.000 1.193 1212 P CA 0.385 63.007 63.100 -0.796 0.000 0.765 1212 P CB 0.102 31.145 31.700 -1.095 0.000 0.823 1213 Y N -0.749 119.283 120.300 -0.447 0.000 3.689 1213 Y HA -0.236 4.314 4.550 -0.001 0.000 0.221 1213 Y C 0.994 176.768 175.900 -0.211 0.000 1.247 1213 Y CA 0.155 58.053 58.100 -0.337 0.000 1.671 1213 Y CB -2.574 35.676 38.460 -0.351 0.000 1.521 1213 Y HN 0.406 nan 8.280 nan 0.000 0.632 1214 Q N 1.476 121.247 119.800 -0.047 0.000 2.283 1214 Q HA 0.268 4.608 4.340 -0.001 0.000 0.301 1214 Q C 1.418 177.401 176.000 -0.029 0.000 1.063 1214 Q CA 1.907 57.706 55.803 -0.006 0.000 0.952 1214 Q CB 0.780 29.537 28.738 0.032 0.000 1.166 1214 Q HN 0.994 nan 8.270 nan 0.000 0.381 1215 G N 3.286 112.070 108.800 -0.027 0.000 2.232 1215 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.226 1215 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.226 1215 G C 0.003 174.864 174.900 -0.065 0.000 0.996 1215 G CA 0.096 45.170 45.100 -0.042 0.000 0.626 1215 G HN 0.506 nan 8.290 nan 0.000 0.509 1216 L N 2.512 123.685 121.223 -0.083 0.000 2.307 1216 L HA 0.585 4.924 4.340 -0.001 0.000 0.282 1216 L C 1.394 178.206 176.870 -0.096 0.000 1.051 1216 L CA -0.214 54.560 54.840 -0.111 0.000 0.804 1216 L CB 1.612 43.568 42.059 -0.172 0.000 1.197 1216 L HN 0.445 nan 8.230 nan 0.000 0.431 1217 S N 1.570 117.209 115.700 -0.103 0.000 2.596 1217 S HA 0.103 4.573 4.470 -0.001 0.000 0.260 1217 S C 0.938 175.426 174.600 -0.187 0.000 1.336 1217 S CA -0.629 57.500 58.200 -0.119 0.000 0.993 1217 S CB 0.762 63.899 63.200 -0.106 0.000 0.923 1217 S HN 0.609 nan 8.310 nan 0.000 0.567 1218 N N 1.347 119.883 118.700 -0.274 0.000 2.104 1218 N HA -0.112 4.628 4.740 -0.001 0.000 0.190 1218 N C 1.598 176.843 175.510 -0.441 0.000 1.024 1218 N CA 1.384 54.165 53.050 -0.448 0.000 0.853 1218 N CB -0.549 37.404 38.487 -0.890 0.000 1.008 1218 N HN 0.656 nan 8.380 nan 0.000 0.424 1219 E N 1.249 121.219 120.200 -0.384 0.000 2.106 1219 E HA -0.123 4.226 4.350 -0.001 0.000 0.192 1219 E C 1.921 178.441 176.600 -0.133 0.000 0.984 1219 E CA 0.714 56.994 56.400 -0.201 0.000 0.806 1219 E CB -0.144 29.497 29.700 -0.099 0.000 0.750 1219 E HN 0.527 nan 8.360 nan 0.000 0.458 1220 Q N 0.151 119.870 119.800 -0.134 0.000 2.124 1220 Q HA -0.097 4.242 4.340 -0.001 0.000 0.202 1220 Q C 2.346 178.272 176.000 -0.123 0.000 0.977 1220 Q CA 1.144 56.884 55.803 -0.104 0.000 0.850 1220 Q CB 0.014 28.688 28.738 -0.107 0.000 0.901 1220 Q HN 0.098 nan 8.270 nan 0.000 0.429 1221 V N 0.738 120.528 119.914 -0.206 0.000 2.295 1221 V HA -0.266 3.854 4.120 -0.001 0.000 0.246 1221 V C 2.135 178.090 176.094 -0.232 0.000 1.049 1221 V CA 1.342 63.454 62.300 -0.314 0.000 1.024 1221 V CB -0.486 31.088 31.823 -0.414 0.000 0.648 1221 V HN 0.266 nan 8.190 nan 0.000 0.447 1222 L N -0.160 120.960 121.223 -0.172 0.000 1.990 1222 L HA -0.220 4.119 4.340 -0.001 0.000 0.213 1222 L C 2.618 179.434 176.870 -0.089 0.000 1.072 1222 L CA 2.229 56.999 54.840 -0.117 0.000 0.755 1222 L CB -0.828 41.197 42.059 -0.057 0.000 0.889 1222 L HN 0.247 nan 8.230 nan 0.000 0.432 1223 R N -1.553 118.915 120.500 -0.053 0.000 2.066 1223 R HA -0.216 4.124 4.340 -0.001 0.000 0.232 1223 R C 2.452 178.751 176.300 -0.001 0.000 1.131 1223 R CA 1.625 57.712 56.100 -0.022 0.000 0.955 1223 R CB -0.494 29.805 30.300 -0.003 0.000 0.851 1223 R HN 0.272 nan 8.270 nan 0.000 0.432 1224 F N 0.845 120.709 119.950 -0.143 0.000 2.091 1224 F HA -0.231 4.295 4.527 -0.001 0.000 0.299 1224 F C 1.941 177.671 175.800 -0.116 0.000 1.103 1224 F CA 1.654 59.575 58.000 -0.132 0.000 1.228 1224 F CB -0.333 38.560 39.000 -0.178 0.000 0.984 1224 F HN -0.180 nan 8.300 nan 0.000 0.477 1225 V N 0.267 120.081 119.914 -0.167 0.000 2.407 1225 V HA -0.281 3.838 4.120 -0.001 0.000 0.245 1225 V C 2.389 178.403 176.094 -0.134 0.000 1.041 1225 V CA 1.935 64.109 62.300 -0.210 0.000 1.040 1225 V CB -0.511 31.167 31.823 -0.242 0.000 0.671 1225 V HN 0.351 nan 8.190 nan 0.000 0.455 1226 M N -0.568 118.966 119.600 -0.111 0.000 2.296 1226 M HA -0.098 4.381 4.480 -0.001 0.000 0.265 1226 M C 1.610 177.943 176.300 0.055 0.000 1.064 1226 M CA 1.291 56.579 55.300 -0.019 0.000 1.109 1226 M CB -0.252 32.318 32.600 -0.050 0.000 1.396 1226 M HN 0.244 nan 8.290 nan 0.000 0.430 1227 E N -0.047 120.117 120.200 -0.059 0.000 2.445 1227 E HA 0.126 4.476 4.350 -0.001 0.000 0.189 1227 E C 1.107 177.591 176.600 -0.194 0.000 1.069 1227 E CA 0.389 56.718 56.400 -0.119 0.000 0.871 1227 E CB -0.020 29.612 29.700 -0.112 0.000 0.991 1227 E HN 0.622 nan 8.360 nan 0.000 0.481 1228 G N 0.788 109.512 108.800 -0.126 0.000 2.132 1228 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.234 1228 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.234 1228 G C 0.622 175.387 174.900 -0.224 0.000 0.989 1228 G CA -0.061 44.971 45.100 -0.113 0.000 0.676 1228 G HN 0.483 nan 8.290 nan 0.000 0.522 1229 G N -0.629 107.826 108.800 -0.575 0.000 2.503 1229 G HA2 0.637 4.596 3.960 -0.001 0.000 0.257 1229 G HA3 0.637 4.596 3.960 -0.001 0.000 0.257 1229 G C -0.025 174.570 174.900 -0.509 0.000 1.214 1229 G CA -0.353 44.099 45.100 -1.080 0.000 0.839 1229 G HN 0.718 nan 8.290 nan 0.000 0.559 1230 L N 0.408 121.563 121.223 -0.113 0.000 2.350 1230 L HA 0.428 4.767 4.340 -0.001 0.000 0.260 1230 L C 0.061 177.019 176.870 0.147 0.000 1.015 1230 L CA -1.029 53.828 54.840 0.029 0.000 0.821 1230 L CB 2.109 44.199 42.059 0.052 0.000 1.370 1230 L HN 0.315 nan 8.230 nan 0.000 0.416 1231 L N 1.374 122.425 121.223 -0.286 0.000 2.483 1231 L HA 0.048 4.387 4.340 -0.001 0.000 0.276 1231 L C -0.020 176.916 176.870 0.111 0.000 1.213 1231 L CA 0.048 54.647 54.840 -0.402 0.000 0.843 1231 L CB 0.043 41.432 42.059 -1.117 0.000 1.107 1231 L HN 0.487 nan 8.230 nan 0.000 0.487 1232 D N 2.302 122.805 120.400 0.171 0.000 2.339 1232 D HA 0.051 4.690 4.640 -0.001 0.000 0.245 1232 D C 0.089 176.542 176.300 0.254 0.000 1.115 1232 D CA -0.343 53.791 54.000 0.224 0.000 0.917 1232 D CB 0.943 41.816 40.800 0.122 0.000 1.192 1232 D HN 0.325 nan 8.370 nan 0.000 0.428 1233 K N 2.106 122.393 120.400 -0.187 0.000 2.453 1233 K HA 0.071 4.390 4.320 -0.001 0.000 0.280 1233 K C -2.271 174.185 176.600 -0.241 0.000 1.045 1233 K CA -0.967 54.922 56.287 -0.663 0.000 1.059 1233 K CB 0.175 31.928 32.500 -1.245 0.000 0.901 1233 K HN 0.066 nan 8.250 nan 0.000 0.475 1234 P HA -0.030 nan 4.420 nan 0.000 0.267 1234 P C -1.107 176.074 177.300 -0.198 0.000 1.200 1234 P CA -0.105 62.859 63.100 -0.227 0.000 0.772 1234 P CB 0.416 31.886 31.700 -0.384 0.000 0.855 1235 D N 2.084 122.384 120.400 -0.165 0.000 2.533 1235 D HA -0.050 4.589 4.640 -0.001 0.000 0.236 1235 D C 0.636 176.857 176.300 -0.133 0.000 1.137 1235 D CA 0.773 54.694 54.000 -0.132 0.000 0.867 1235 D CB -0.589 40.146 40.800 -0.109 0.000 1.170 1235 D HN 0.417 nan 8.370 nan 0.000 0.474 1236 N N -0.713 117.919 118.700 -0.113 0.000 2.800 1236 N HA -0.222 4.517 4.740 -0.001 0.000 0.250 1236 N C -0.166 175.284 175.510 -0.100 0.000 1.078 1236 N CA 0.303 53.296 53.050 -0.095 0.000 0.804 1236 N CB -1.395 37.041 38.487 -0.085 0.000 1.135 1236 N HN 0.454 nan 8.380 nan 0.000 0.565 1237 C N 1.747 120.974 119.300 -0.121 0.000 2.648 1237 C HA 0.237 4.696 4.460 -0.001 0.000 0.415 1237 C C -1.618 173.333 174.990 -0.064 0.000 1.366 1237 C CA -1.458 57.497 59.018 -0.105 0.000 1.756 1237 C CB -0.326 27.339 27.740 -0.126 0.000 2.549 1237 C HN 0.192 nan 8.230 nan 0.000 0.597 1238 P HA 0.065 nan 4.420 nan 0.000 0.262 1238 P C 0.304 177.611 177.300 0.012 0.000 1.182 1238 P CA 0.655 63.742 63.100 -0.022 0.000 0.761 1238 P CB 0.461 32.145 31.700 -0.027 0.000 0.795 1239 D N 3.189 123.601 120.400 0.019 0.000 2.149 1239 D HA -0.212 4.428 4.640 -0.001 0.000 0.198 1239 D C 1.720 178.058 176.300 0.064 0.000 0.990 1239 D CA 1.650 55.687 54.000 0.062 0.000 0.839 1239 D CB -0.154 40.672 40.800 0.043 0.000 0.948 1239 D HN 0.409 nan 8.370 nan 0.000 0.460 1240 M N -0.775 118.837 119.600 0.021 0.000 2.159 1240 M HA -0.075 4.404 4.480 -0.001 0.000 0.263 1240 M C 1.726 178.018 176.300 -0.014 0.000 1.063 1240 M CA 1.531 56.830 55.300 -0.002 0.000 1.110 1240 M CB -0.628 31.963 32.600 -0.015 0.000 1.374 1240 M HN 0.014 nan 8.290 nan 0.000 0.411 1241 L N -1.232 119.990 121.223 -0.002 0.000 2.072 1241 L HA -0.041 4.299 4.340 -0.001 0.000 0.205 1241 L C 2.542 179.406 176.870 -0.011 0.000 1.079 1241 L CA 0.986 55.813 54.840 -0.022 0.000 0.752 1241 L CB -0.731 41.313 42.059 -0.024 0.000 0.906 1241 L HN 0.327 nan 8.230 nan 0.000 0.436 1242 F N 1.092 120.980 119.950 -0.103 0.000 2.186 1242 F HA -0.156 4.371 4.527 -0.001 0.000 0.299 1242 F C 2.529 178.247 175.800 -0.137 0.000 1.090 1242 F CA 1.311 59.248 58.000 -0.106 0.000 1.307 1242 F CB -0.092 38.884 39.000 -0.039 0.000 1.019 1242 F HN 0.014 nan 8.300 nan 0.000 0.489 1243 E N 0.459 120.581 120.200 -0.129 0.000 2.110 1243 E HA -0.207 4.143 4.350 -0.001 0.000 0.193 1243 E C 2.551 178.986 176.600 -0.275 0.000 0.988 1243 E CA 0.915 57.185 56.400 -0.215 0.000 0.804 1243 E CB -0.797 28.854 29.700 -0.082 0.000 0.745 1243 E HN 0.442 nan 8.360 nan 0.000 0.458 1244 L N 0.076 121.164 121.223 -0.226 0.000 2.046 1244 L HA -0.167 4.173 4.340 -0.001 0.000 0.208 1244 L C 2.492 179.117 176.870 -0.407 0.000 1.077 1244 L CA 0.969 55.675 54.840 -0.223 0.000 0.747 1244 L CB -0.183 41.803 42.059 -0.121 0.000 0.896 1244 L HN 0.196 nan 8.230 nan 0.000 0.432 1245 M N -0.951 118.288 119.600 -0.603 0.000 2.082 1245 M HA -0.290 4.190 4.480 -0.001 0.000 0.258 1245 M C 2.315 177.817 176.300 -1.330 0.000 1.069 1245 M CA 1.905 56.500 55.300 -1.175 0.000 1.102 1245 M CB -0.480 31.355 32.600 -1.276 0.000 1.336 1245 M HN 0.163 nan 8.290 nan 0.000 0.404 1246 R N -0.172 119.781 120.500 -0.912 0.000 2.105 1246 R HA -0.102 4.237 4.340 -0.001 0.000 0.239 1246 R C 2.133 178.231 176.300 -0.336 0.000 1.135 1246 R CA 1.465 57.240 56.100 -0.541 0.000 0.967 1246 R CB -0.374 29.634 30.300 -0.488 0.000 0.861 1246 R HN 0.447 nan 8.270 nan 0.000 0.442 1247 M N -0.387 119.018 119.600 -0.326 0.000 2.117 1247 M HA -0.195 4.284 4.480 -0.001 0.000 0.262 1247 M C 2.391 178.576 176.300 -0.191 0.000 1.065 1247 M CA 1.344 56.525 55.300 -0.198 0.000 1.114 1247 M CB -0.275 32.229 32.600 -0.160 0.000 1.361 1247 M HN 0.243 nan 8.290 nan 0.000 0.408 1248 C N -0.880 118.224 119.300 -0.326 0.000 2.432 1248 C HA -0.126 4.334 4.460 -0.001 0.000 0.280 1248 C C 1.572 176.448 174.990 -0.190 0.000 1.353 1248 C CA 0.218 59.073 59.018 -0.271 0.000 1.766 1248 C CB -1.049 26.474 27.740 -0.362 0.000 1.924 1248 C HN 0.654 nan 8.230 nan 0.000 0.509 1249 W N 1.110 122.181 121.300 -0.382 0.000 3.194 1249 W HA 0.307 4.967 4.660 -0.000 0.000 0.408 1249 W C 0.376 176.844 176.519 -0.084 0.000 1.072 1249 W CA -0.838 56.137 57.345 -0.617 0.000 1.953 1249 W CB -1.328 27.628 29.460 -0.841 0.000 1.091 1249 W HN 0.483 nan 8.180 nan 0.000 0.699 1250 Q N 0.277 120.190 119.800 0.189 0.000 2.289 1250 Q HA -0.080 4.260 4.340 -0.001 0.000 0.273 1250 Q C 1.052 177.241 176.000 0.314 0.000 1.029 1250 Q CA 0.005 55.931 55.803 0.204 0.000 0.896 1250 Q CB 0.828 29.625 28.738 0.098 0.000 1.182 1250 Q HN 0.164 nan 8.270 nan 0.000 0.385 1251 Y N 3.082 123.500 120.300 0.197 0.000 2.151 1251 Y HA -0.269 4.281 4.550 -0.001 0.000 0.284 1251 Y C 0.991 176.936 175.900 0.076 0.000 1.166 1251 Y CA 1.560 59.753 58.100 0.155 0.000 1.163 1251 Y CB 0.252 38.751 38.460 0.064 0.000 0.974 1251 Y HN 0.610 nan 8.280 nan 0.000 0.511 1252 N N 1.362 120.168 118.700 0.176 0.000 2.420 1252 N HA 0.033 4.773 4.740 -0.001 0.000 0.262 1252 N C -1.914 173.577 175.510 -0.033 0.000 1.144 1252 N CA -1.995 51.083 53.050 0.047 0.000 0.952 1252 N CB 1.075 39.592 38.487 0.050 0.000 1.081 1252 N HN 0.087 nan 8.380 nan 0.000 0.480 1253 P HA -0.152 nan 4.420 nan 0.000 0.218 1253 P C 0.585 177.660 177.300 -0.375 0.000 1.148 1253 P CA 1.219 64.218 63.100 -0.168 0.000 0.822 1253 P CB 0.402 31.986 31.700 -0.193 0.000 0.784 1254 K N -0.818 119.349 120.400 -0.389 0.000 2.365 1254 K HA 0.080 4.400 4.320 -0.001 0.000 0.199 1254 K C 1.932 178.429 176.600 -0.170 0.000 1.045 1254 K CA 0.818 56.883 56.287 -0.371 0.000 0.962 1254 K CB -0.467 31.881 32.500 -0.252 0.000 0.759 1254 K HN 0.357 nan 8.250 nan 0.000 0.469 1255 M N 0.121 119.661 119.600 -0.099 0.000 2.502 1255 M HA 0.044 4.524 4.480 -0.001 0.000 0.243 1255 M C 0.294 176.579 176.300 -0.024 0.000 1.130 1255 M CA 0.186 55.462 55.300 -0.041 0.000 1.055 1255 M CB 0.313 32.908 32.600 -0.009 0.000 1.457 1255 M HN -0.091 nan 8.290 nan 0.000 0.488 1256 R N 1.755 122.242 120.500 -0.022 0.000 2.582 1256 R HA 0.216 4.556 4.340 -0.001 0.000 0.271 1256 R C -2.259 174.031 176.300 -0.016 0.000 1.078 1256 R CA -1.473 54.625 56.100 -0.004 0.000 1.127 1256 R CB -0.186 30.141 30.300 0.045 0.000 1.038 1256 R HN -0.042 nan 8.270 nan 0.000 0.500 1257 P HA -0.001 nan 4.420 nan 0.000 0.274 1257 P C -0.527 176.725 177.300 -0.081 0.000 1.237 1257 P CA -0.330 62.739 63.100 -0.052 0.000 0.793 1257 P CB 0.970 32.626 31.700 -0.073 0.000 0.977 1258 S N 0.788 116.465 115.700 -0.039 0.000 2.624 1258 S HA 0.174 4.644 4.470 -0.001 0.000 0.263 1258 S C 1.109 175.628 174.600 -0.136 0.000 1.287 1258 S CA -0.254 57.909 58.200 -0.062 0.000 0.990 1258 S CB -0.262 62.972 63.200 0.056 0.000 0.950 1258 S HN 0.235 nan 8.310 nan 0.000 0.561 1259 F N 0.268 120.214 119.950 -0.007 0.000 2.171 1259 F HA 0.007 4.534 4.527 -0.001 0.000 0.300 1259 F C 2.111 177.921 175.800 0.015 0.000 1.090 1259 F CA 1.051 59.007 58.000 -0.074 0.000 1.293 1259 F CB -0.813 38.143 39.000 -0.074 0.000 1.013 1259 F HN 0.431 nan 8.300 nan 0.000 0.486 1260 L N -0.436 120.949 121.223 0.271 0.000 2.083 1260 L HA -0.214 4.125 4.340 -0.001 0.000 0.209 1260 L C 2.275 179.278 176.870 0.221 0.000 1.083 1260 L CA 1.494 56.516 54.840 0.304 0.000 0.752 1260 L CB -0.665 41.545 42.059 0.252 0.000 0.899 1260 L HN 0.172 nan 8.230 nan 0.000 0.433 1261 E N 0.184 120.454 120.200 0.116 0.000 2.106 1261 E HA -0.179 4.171 4.350 -0.001 0.000 0.192 1261 E C 2.296 178.903 176.600 0.011 0.000 0.984 1261 E CA 0.939 57.375 56.400 0.061 0.000 0.806 1261 E CB -0.042 29.675 29.700 0.028 0.000 0.750 1261 E HN 0.455 nan 8.360 nan 0.000 0.458 1262 I N 1.024 121.582 120.570 -0.019 0.000 2.163 1262 I HA -0.310 3.860 4.170 -0.001 0.000 0.243 1262 I C 2.290 178.375 176.117 -0.054 0.000 1.085 1262 I CA 1.233 62.505 61.300 -0.047 0.000 1.347 1262 I CB -0.227 37.708 38.000 -0.109 0.000 1.044 1262 I HN 0.111 nan 8.210 nan 0.000 0.408 1263 I N -0.346 120.186 120.570 -0.063 0.000 2.226 1263 I HA -0.313 3.856 4.170 -0.001 0.000 0.245 1263 I C 2.744 178.669 176.117 -0.320 0.000 1.100 1263 I CA 1.290 62.468 61.300 -0.204 0.000 1.374 1263 I CB -0.434 37.416 38.000 -0.251 0.000 1.057 1263 I HN 0.180 nan 8.210 nan 0.000 0.413 1264 S N 0.529 116.104 115.700 -0.209 0.000 2.370 1264 S HA -0.226 4.244 4.470 -0.001 0.000 0.226 1264 S C 2.248 176.806 174.600 -0.070 0.000 1.033 1264 S CA 2.028 60.166 58.200 -0.103 0.000 1.011 1264 S CB -0.365 62.876 63.200 0.069 0.000 0.852 1264 S HN 0.629 nan 8.310 nan 0.000 0.457 1265 S N 1.192 116.858 115.700 -0.056 0.000 2.447 1265 S HA 0.010 4.479 4.470 -0.001 0.000 0.233 1265 S C 1.554 176.122 174.600 -0.053 0.000 1.006 1265 S CA 0.917 59.093 58.200 -0.041 0.000 0.957 1265 S CB -0.704 62.476 63.200 -0.034 0.000 0.773 1265 S HN 0.811 nan 8.310 nan 0.000 0.507 1266 I N -1.670 118.849 120.570 -0.085 0.000 4.154 1266 I HA 0.359 4.529 4.170 -0.001 0.000 0.334 1266 I C 1.664 177.707 176.117 -0.123 0.000 1.371 1266 I CA -0.448 60.795 61.300 -0.095 0.000 1.110 1266 I CB 0.060 38.002 38.000 -0.097 0.000 1.085 1266 I HN 0.133 nan 8.210 nan 0.000 0.398 1267 K N 1.557 121.884 120.400 -0.123 0.000 2.147 1267 K HA -0.192 4.128 4.320 -0.001 0.000 0.205 1267 K C 1.708 178.317 176.600 0.014 0.000 1.049 1267 K CA 1.900 58.146 56.287 -0.068 0.000 0.936 1267 K CB -0.322 32.164 32.500 -0.024 0.000 0.722 1267 K HN 0.282 nan 8.250 nan 0.000 0.446 1268 E N 1.469 121.676 120.200 0.012 0.000 2.160 1268 E HA -0.184 4.166 4.350 -0.001 0.000 0.195 1268 E C 0.899 177.496 176.600 -0.005 0.000 0.991 1268 E CA 1.530 57.942 56.400 0.021 0.000 0.810 1268 E CB 0.077 29.785 29.700 0.013 0.000 0.742 1268 E HN 0.480 nan 8.360 nan 0.000 0.466 1269 E N -0.848 119.329 120.200 -0.039 0.000 2.474 1269 E HA 0.114 4.463 4.350 -0.001 0.000 0.195 1269 E C -0.327 176.224 176.600 -0.081 0.000 1.039 1269 E CA -0.050 56.319 56.400 -0.052 0.000 0.881 1269 E CB 0.234 29.900 29.700 -0.057 0.000 0.970 1269 E HN 0.186 nan 8.360 nan 0.000 0.486 1270 M N 1.698 121.230 119.600 -0.113 0.000 2.233 1270 M HA 0.109 4.588 4.480 -0.001 0.000 0.350 1270 M C 0.594 176.869 176.300 -0.042 0.000 1.176 1270 M CA -0.193 55.003 55.300 -0.173 0.000 1.150 1270 M CB 0.382 32.732 32.600 -0.417 0.000 1.530 1270 M HN 0.117 nan 8.290 nan 0.000 0.459 1271 E N 3.439 123.629 120.200 -0.016 0.000 2.408 1271 E HA 0.291 4.641 4.350 -0.001 0.000 0.259 1271 E C -2.427 174.214 176.600 0.069 0.000 1.110 1271 E CA -1.692 54.725 56.400 0.029 0.000 0.929 1271 E CB -0.419 29.303 29.700 0.037 0.000 0.971 1271 E HN 0.299 nan 8.360 nan 0.000 0.438 1272 P HA 0.056 nan 4.420 nan 0.000 0.263 1272 P C 0.439 177.772 177.300 0.054 0.000 1.195 1272 P CA 1.189 64.311 63.100 0.037 0.000 0.762 1272 P CB 0.728 32.439 31.700 0.018 0.000 0.799 1273 G N 2.495 111.322 108.800 0.045 0.000 2.541 1273 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.201 1273 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.201 1273 G C 0.868 175.813 174.900 0.075 0.000 1.026 1273 G CA 0.022 45.147 45.100 0.041 0.000 0.687 1273 G HN 0.460 nan 8.290 nan 0.000 0.492 1274 F N 2.481 122.433 119.950 0.002 0.000 2.161 1274 F HA 0.073 4.600 4.527 -0.001 0.000 0.300 1274 F C 2.562 178.385 175.800 0.037 0.000 1.089 1274 F CA 2.408 60.450 58.000 0.070 0.000 1.282 1274 F CB -0.111 38.951 39.000 0.103 0.000 1.010 1274 F HN 0.248 nan 8.300 nan 0.000 0.485 1275 R N 0.319 120.722 120.500 -0.161 0.000 2.127 1275 R HA -0.150 4.190 4.340 -0.001 0.000 0.238 1275 R C 1.718 177.860 176.300 -0.263 0.000 1.134 1275 R CA 1.796 57.581 56.100 -0.525 0.000 0.975 1275 R CB -0.254 29.651 30.300 -0.658 0.000 0.865 1275 R HN 0.331 nan 8.270 nan 0.000 0.447 1276 E N -0.120 119.972 120.200 -0.182 0.000 2.340 1276 E HA -0.055 4.295 4.350 -0.001 0.000 0.194 1276 E C 1.766 178.267 176.600 -0.166 0.000 0.996 1276 E CA 1.037 57.351 56.400 -0.142 0.000 0.869 1276 E CB 0.677 30.308 29.700 -0.115 0.000 0.835 1276 E HN 0.427 nan 8.360 nan 0.000 0.493 1277 V N -1.240 118.540 119.914 -0.223 0.000 3.604 1277 V HA 0.186 4.306 4.120 -0.001 0.000 0.277 1277 V C 0.996 176.949 176.094 -0.235 0.000 1.399 1277 V CA -0.070 62.044 62.300 -0.310 0.000 1.034 1277 V CB 0.152 31.588 31.823 -0.644 0.000 0.824 1277 V HN 0.042 nan 8.190 nan 0.000 0.439 1278 S N -0.091 115.458 115.700 -0.252 0.000 2.580 1278 S HA 0.391 4.860 4.470 -0.001 0.000 0.274 1278 S C 0.620 175.237 174.600 0.028 0.000 1.329 1278 S CA -0.086 57.992 58.200 -0.202 0.000 1.036 1278 S CB 1.105 63.795 63.200 -0.850 0.000 0.919 1278 S HN 0.375 nan 8.310 nan 0.000 0.515 1279 F N 2.343 122.317 119.950 0.040 0.000 2.126 1279 F HA -0.116 4.411 4.527 -0.001 0.000 0.299 1279 F C 1.971 177.827 175.800 0.093 0.000 1.096 1279 F CA 1.557 59.620 58.000 0.104 0.000 1.255 1279 F CB -0.837 38.287 39.000 0.206 0.000 0.997 1279 F HN 0.849 nan 8.300 nan 0.000 0.479 1280 Y N -0.346 119.882 120.300 -0.121 0.000 2.102 1280 Y HA -0.348 4.202 4.550 -0.001 0.000 0.280 1280 Y C 1.770 177.436 175.900 -0.389 0.000 1.178 1280 Y CA 2.374 60.306 58.100 -0.280 0.000 1.146 1280 Y CB -0.842 37.552 38.460 -0.109 0.000 0.968 1280 Y HN 0.161 nan 8.280 nan 0.000 0.504 1281 Y N 0.039 120.290 120.300 -0.082 0.000 2.466 1281 Y HA 0.121 4.671 4.550 -0.000 0.000 0.272 1281 Y C 1.425 177.225 175.900 -0.168 0.000 1.169 1281 Y CA 0.162 58.195 58.100 -0.111 0.000 1.285 1281 Y CB -0.283 38.166 38.460 -0.018 0.000 1.078 1281 Y HN 0.037 nan 8.280 nan 0.000 0.523 1282 S N -0.426 115.215 115.700 -0.098 0.000 2.614 1282 S HA 0.060 4.530 4.470 -0.001 0.000 0.265 1282 S C 1.169 175.698 174.600 -0.118 0.000 1.303 1282 S CA -0.706 57.448 58.200 -0.077 0.000 1.000 1282 S CB 1.093 64.275 63.200 -0.031 0.000 0.935 1282 S HN 0.249 nan 8.310 nan 0.000 0.551 1283 E N 0.676 120.846 120.200 -0.050 0.000 2.204 1283 E HA -0.165 4.184 4.350 -0.001 0.000 0.195 1283 E C 1.656 178.233 176.600 -0.039 0.000 0.990 1283 E CA 0.969 57.344 56.400 -0.042 0.000 0.821 1283 E CB -0.231 29.465 29.700 -0.007 0.000 0.750 1283 E HN 0.887 nan 8.360 nan 0.000 0.477 1284 E N 1.185 121.384 120.200 -0.000 0.000 2.268 1284 E HA -0.135 4.214 4.350 -0.001 0.000 0.195 1284 E C 0.621 177.221 176.600 -0.000 0.000 0.995 1284 E CA 0.064 56.518 56.400 0.090 0.000 0.836 1284 E CB 0.032 29.916 29.700 0.306 0.000 0.763 1284 E HN -0.036 nan 8.360 nan 0.000 0.491 1285 N N 1.376 119.874 118.700 -0.338 0.000 2.549 1285 N HA -0.008 4.732 4.740 -0.001 0.000 0.267 1285 N C -1.264 174.100 175.510 -0.243 0.000 1.182 1285 N CA 0.188 52.923 53.050 -0.525 0.000 1.019 1285 N CB -0.169 37.735 38.487 -0.972 0.000 1.380 1285 N HN 0.138 nan 8.380 nan 0.000 0.505 1286 K N 0.000 120.345 120.400 -0.092 0.000 2.780 1286 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 1286 K CA 0.000 56.252 56.287 -0.058 0.000 0.838 1286 K CB 0.000 32.473 32.500 -0.045 0.000 1.064 1286 K HN 0.000 nan 8.250 nan 0.000 0.543