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 2o29_1_A DATA FIRST_RESID 995 DATA SEQUENCE GIDPFTVSKG EELFTGVVPI LVELDGDVNG HKFSVSGEGE GDATYGKLTL DATA SEQUENCE KFICTTGKLP VPWPTLVTTL XXXVQCFSRY PDHMKQHDFF KSAMPEGYVQ DATA SEQUENCE ERTIFFKDDG NYKTRAEVKF EGDTLVNRIE LKGIDFKEDG NILGHKLEYN DATA SEQUENCE YNSHNVYIMA DKQKNGIKVN FKIRHNIEDG SVQLADHYQQ NTPIGDGPVL DATA SEQUENCE LPDNHYLSYQ SALSKDPNEK RDHMVLLEFV TAAGIT 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 995 G HA2 0.000 nan 3.960 nan 0.000 0.244 995 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 995 G C 0.000 174.889 174.900 -0.018 0.000 0.946 995 G CA 0.000 45.091 45.100 -0.014 0.000 0.502 996 I N -2.210 118.344 120.570 -0.027 0.000 3.237 996 I HA 0.673 4.842 4.170 -0.002 0.000 0.308 996 I C -0.577 175.511 176.117 -0.048 0.000 1.093 996 I CA -1.103 60.180 61.300 -0.028 0.000 1.001 996 I CB 1.818 39.804 38.000 -0.023 0.000 1.245 996 I HN 0.338 nan 8.210 nan 0.000 0.485 997 D N 3.648 124.022 120.400 -0.043 0.000 2.520 997 D HA 0.091 4.729 4.640 -0.002 0.000 0.243 997 D C -2.148 174.093 176.300 -0.099 0.000 1.160 997 D CA -1.167 52.793 54.000 -0.067 0.000 0.877 997 D CB 0.572 41.357 40.800 -0.024 0.000 1.150 997 D HN 0.356 nan 8.370 nan 0.000 0.494 998 P HA 0.245 nan 4.420 nan 0.000 0.202 998 P C -1.167 175.720 177.300 -0.688 0.000 1.871 998 P CA -0.612 62.335 63.100 -0.255 0.000 1.068 998 P CB -0.789 30.779 31.700 -0.220 0.000 1.818 999 F N -0.235 119.703 119.950 -0.020 0.000 2.410 999 F HA 0.528 5.054 4.527 -0.002 0.000 0.349 999 F C 0.694 176.475 175.800 -0.032 0.000 1.117 999 F CA -0.613 57.371 58.000 -0.026 0.000 1.104 999 F CB 1.047 40.032 39.000 -0.025 0.000 1.122 999 F HN -0.158 nan 8.300 nan 0.000 0.483 1000 T N 3.058 117.674 114.554 0.103 0.000 2.934 1000 T HA 0.222 4.571 4.350 -0.002 0.000 0.328 1000 T C 1.120 175.833 174.700 0.021 0.000 1.068 1000 T CA -0.621 61.507 62.100 0.046 0.000 1.018 1000 T CB 1.359 70.222 68.868 -0.008 0.000 1.009 1000 T HN 0.480 nan 8.240 nan 0.000 0.471 1001 V N 2.433 122.358 119.914 0.018 0.000 2.265 1001 V HA -0.249 3.869 4.120 -0.002 0.000 0.260 1001 V C 1.401 177.473 176.094 -0.037 0.000 1.084 1001 V CA 1.790 64.082 62.300 -0.012 0.000 1.086 1001 V CB -0.482 31.317 31.823 -0.040 0.000 0.704 1001 V HN 0.805 nan 8.190 nan 0.000 0.457 1002 S N 0.259 115.910 115.700 -0.081 0.000 2.449 1002 S HA 0.519 4.987 4.470 -0.002 0.000 0.310 1002 S C -0.305 174.226 174.600 -0.114 0.000 1.096 1002 S CA -0.828 57.308 58.200 -0.108 0.000 1.095 1002 S CB 1.189 64.284 63.200 -0.175 0.000 1.007 1002 S HN 0.625 nan 8.310 nan 0.000 0.474 1003 K N 1.914 122.271 120.400 -0.071 0.000 2.259 1003 K HA 0.725 5.043 4.320 -0.002 0.000 0.252 1003 K C 0.993 177.577 176.600 -0.028 0.000 0.936 1003 K CA -0.448 55.806 56.287 -0.054 0.000 0.810 1003 K CB 1.170 33.651 32.500 -0.032 0.000 1.143 1003 K HN 0.640 nan 8.250 nan 0.000 0.427 1004 G N 3.648 112.447 108.800 -0.003 0.000 2.684 1004 G HA2 -0.536 3.423 3.960 -0.002 0.000 0.358 1004 G HA3 -0.536 3.423 3.960 -0.002 0.000 0.358 1004 G C 1.026 176.022 174.900 0.159 0.000 1.164 1004 G CA 1.553 46.692 45.100 0.064 0.000 0.935 1004 G HN 1.013 nan 8.290 nan 0.000 0.574 1005 E N 0.849 121.113 120.200 0.108 0.000 2.209 1005 E HA -0.041 4.307 4.350 -0.002 0.000 0.196 1005 E C 2.076 178.781 176.600 0.174 0.000 0.993 1005 E CA 2.048 58.541 56.400 0.156 0.000 0.819 1005 E CB -0.449 29.272 29.700 0.034 0.000 0.745 1005 E HN 0.774 nan 8.360 nan 0.000 0.477 1006 E N 0.480 120.719 120.200 0.065 0.000 2.204 1006 E HA -0.106 4.243 4.350 -0.002 0.000 0.195 1006 E C 1.850 178.425 176.600 -0.042 0.000 0.990 1006 E CA 1.020 57.426 56.400 0.010 0.000 0.821 1006 E CB -0.166 29.518 29.700 -0.028 0.000 0.750 1006 E HN 0.383 nan 8.360 nan 0.000 0.477 1007 L N -0.440 120.707 121.223 -0.125 0.000 2.465 1007 L HA -0.065 4.274 4.340 -0.002 0.000 0.224 1007 L C 0.990 177.607 176.870 -0.421 0.000 1.145 1007 L CA 0.615 55.203 54.840 -0.419 0.000 0.834 1007 L CB 0.065 41.614 42.059 -0.850 0.000 0.944 1007 L HN 0.118 nan 8.230 nan 0.000 0.451 1008 F N -1.905 118.068 119.950 0.038 0.000 2.683 1008 F HA 0.056 4.581 4.527 -0.004 0.000 0.306 1008 F C 2.194 178.048 175.800 0.090 0.000 1.102 1008 F CA 0.119 58.179 58.000 0.099 0.000 1.244 1008 F CB -0.186 38.842 39.000 0.047 0.000 1.029 1008 F HN -0.020 nan 8.300 nan 0.000 0.545 1009 T N -2.505 112.151 114.554 0.170 0.000 2.962 1009 T HA 0.179 4.528 4.350 -0.002 0.000 0.270 1009 T C 1.239 176.011 174.700 0.120 0.000 1.088 1009 T CA 0.891 63.061 62.100 0.117 0.000 1.127 1009 T CB -0.255 68.651 68.868 0.064 0.000 0.883 1009 T HN 0.208 nan 8.240 nan 0.000 0.493 1010 G N 0.354 109.233 108.800 0.132 0.000 3.209 1010 G HA2 0.568 4.527 3.960 -0.002 0.000 0.236 1010 G HA3 0.568 4.527 3.960 -0.002 0.000 0.236 1010 G C -1.133 173.875 174.900 0.181 0.000 1.329 1010 G CA -0.773 44.409 45.100 0.137 0.000 1.015 1010 G HN 0.210 nan 8.290 nan 0.000 0.571 1011 V N 0.262 120.263 119.914 0.144 0.000 2.488 1011 V HA 0.389 4.507 4.120 -0.002 0.000 0.277 1011 V C -0.119 176.052 176.094 0.128 0.000 1.046 1011 V CA -0.290 62.089 62.300 0.132 0.000 0.986 1011 V CB 1.043 32.913 31.823 0.078 0.000 0.989 1011 V HN 0.370 nan 8.190 nan 0.000 0.475 1012 V N 7.683 127.697 119.914 0.166 0.000 2.448 1012 V HA 0.395 4.514 4.120 -0.002 0.000 0.295 1012 V C -2.355 173.790 176.094 0.085 0.000 1.025 1012 V CA -2.091 60.328 62.300 0.198 0.000 0.859 1012 V CB 1.989 34.071 31.823 0.432 0.000 0.988 1012 V HN 0.729 nan 8.190 nan 0.000 0.431 1013 P HA 0.363 nan 4.420 nan 0.000 0.271 1013 P C -0.765 176.537 177.300 0.002 0.000 1.216 1013 P CA 0.097 63.199 63.100 0.003 0.000 0.776 1013 P CB 0.655 32.363 31.700 0.013 0.000 0.881 1014 I N 2.657 123.194 120.570 -0.056 0.000 2.509 1014 I HA 0.418 4.587 4.170 -0.002 0.000 0.293 1014 I C -0.592 175.497 176.117 -0.048 0.000 1.020 1014 I CA -0.973 60.300 61.300 -0.045 0.000 1.088 1014 I CB 1.937 39.874 38.000 -0.105 0.000 1.267 1014 I HN 0.132 nan 8.210 nan 0.000 0.430 1015 L N 7.577 128.791 121.223 -0.015 0.000 2.381 1015 L HA 0.678 5.016 4.340 -0.002 0.000 0.274 1015 L C -1.137 175.758 176.870 0.041 0.000 0.988 1015 L CA -0.467 54.372 54.840 -0.003 0.000 0.824 1015 L CB 1.909 43.968 42.059 -0.000 0.000 1.263 1015 L HN 0.297 nan 8.230 nan 0.000 0.410 1016 V N 4.126 124.089 119.914 0.082 0.000 2.540 1016 V HA 0.674 4.793 4.120 -0.002 0.000 0.302 1016 V C -0.797 175.390 176.094 0.154 0.000 1.035 1016 V CA -0.645 61.752 62.300 0.162 0.000 0.873 1016 V CB 1.822 33.851 31.823 0.343 0.000 0.992 1016 V HN 0.687 nan 8.190 nan 0.000 0.428 1017 E N 4.494 124.766 120.200 0.120 0.000 2.241 1017 E HA 0.559 4.908 4.350 -0.002 0.000 0.263 1017 E C -1.274 175.372 176.600 0.077 0.000 0.882 1017 E CA -0.427 56.031 56.400 0.096 0.000 0.769 1017 E CB 3.134 32.868 29.700 0.057 0.000 1.185 1017 E HN 0.636 nan 8.360 nan 0.000 0.415 1018 L N 2.384 123.650 121.223 0.072 0.000 2.385 1018 L HA 0.513 4.851 4.340 -0.002 0.000 0.273 1018 L C -1.373 175.454 176.870 -0.072 0.000 0.990 1018 L CA -0.621 54.225 54.840 0.010 0.000 0.821 1018 L CB 1.617 43.700 42.059 0.040 0.000 1.279 1018 L HN 0.225 nan 8.230 nan 0.000 0.412 1019 D N 3.824 124.135 120.400 -0.148 0.000 2.391 1019 D HA 0.649 5.287 4.640 -0.002 0.000 0.245 1019 D C -0.327 175.710 176.300 -0.439 0.000 1.069 1019 D CA -0.019 53.823 54.000 -0.263 0.000 0.831 1019 D CB 2.262 42.962 40.800 -0.166 0.000 1.204 1019 D HN 0.737 nan 8.370 nan 0.000 0.503 1020 G N 0.518 108.799 108.800 -0.866 0.000 2.533 1020 G HA2 0.497 4.456 3.960 -0.002 0.000 0.304 1020 G HA3 0.497 4.456 3.960 -0.002 0.000 0.304 1020 G C -1.416 173.021 174.900 -0.772 0.000 1.263 1020 G CA -0.496 43.969 45.100 -1.057 0.000 0.964 1020 G HN 0.283 nan 8.290 nan 0.000 0.479 1021 D N 0.485 120.677 120.400 -0.348 0.000 2.602 1021 D HA 0.386 5.025 4.640 -0.002 0.000 0.245 1021 D C -1.226 175.093 176.300 0.031 0.000 1.325 1021 D CA -0.260 53.680 54.000 -0.100 0.000 0.952 1021 D CB 1.952 42.703 40.800 -0.081 0.000 1.317 1021 D HN 0.158 nan 8.370 nan 0.000 0.577 1022 V N 4.615 124.620 119.914 0.152 0.000 2.376 1022 V HA 0.291 4.409 4.120 -0.002 0.000 0.287 1022 V C 0.216 176.425 176.094 0.192 0.000 1.015 1022 V CA -0.826 61.558 62.300 0.140 0.000 0.834 1022 V CB 1.046 32.876 31.823 0.011 0.000 1.001 1022 V HN 0.652 nan 8.190 nan 0.000 0.428 1023 N N 4.137 122.957 118.700 0.200 0.000 2.721 1023 N HA -0.222 4.517 4.740 -0.002 0.000 0.249 1023 N C 1.233 176.749 175.510 0.011 0.000 1.072 1023 N CA 1.801 54.950 53.050 0.164 0.000 0.710 1023 N CB -1.052 37.582 38.487 0.246 0.000 0.993 1023 N HN 1.441 nan 8.380 nan 0.000 0.547 1024 G N -1.811 106.982 108.800 -0.012 0.000 2.205 1024 G HA2 -0.345 3.614 3.960 -0.002 0.000 0.261 1024 G HA3 -0.345 3.614 3.960 -0.002 0.000 0.261 1024 G C -0.223 174.577 174.900 -0.167 0.000 0.980 1024 G CA 0.415 45.451 45.100 -0.107 0.000 0.632 1024 G HN 0.689 nan 8.290 nan 0.000 0.533 1025 H N 1.678 120.775 119.070 0.044 0.000 2.934 1025 H HA 0.314 4.869 4.556 -0.002 0.000 0.273 1025 H C 0.602 176.014 175.328 0.140 0.000 1.121 1025 H CA 0.308 56.396 56.048 0.066 0.000 1.451 1025 H CB 0.451 30.233 29.762 0.033 0.000 1.469 1025 H HN 0.370 nan 8.280 nan 0.000 0.476 1026 K N 3.751 124.254 120.400 0.171 0.000 2.118 1026 K HA 0.435 4.753 4.320 -0.002 0.000 0.267 1026 K C -0.342 176.379 176.600 0.202 0.000 0.991 1026 K CA -0.452 55.889 56.287 0.089 0.000 0.916 1026 K CB 1.295 33.793 32.500 -0.004 0.000 1.041 1026 K HN 0.434 nan 8.250 nan 0.000 0.455 1027 F N -2.541 117.383 119.950 -0.042 0.000 2.741 1027 F HA 0.544 5.070 4.527 -0.002 0.000 0.311 1027 F C -1.230 174.542 175.800 -0.046 0.000 1.149 1027 F CA -0.963 57.006 58.000 -0.051 0.000 0.930 1027 F CB 1.342 40.286 39.000 -0.094 0.000 1.312 1027 F HN 0.275 nan 8.300 nan 0.000 0.450 1028 S N 0.752 116.520 115.700 0.113 0.000 2.569 1028 S HA 0.868 5.337 4.470 -0.002 0.000 0.280 1028 S C -1.547 173.168 174.600 0.192 0.000 1.111 1028 S CA -0.781 57.447 58.200 0.046 0.000 0.887 1028 S CB 2.250 65.463 63.200 0.021 0.000 1.095 1028 S HN 0.666 nan 8.310 nan 0.000 0.476 1029 V N 2.312 122.337 119.914 0.184 0.000 2.760 1029 V HA 0.714 4.832 4.120 -0.002 0.000 0.309 1029 V C -0.482 175.765 176.094 0.255 0.000 1.077 1029 V CA -0.722 61.748 62.300 0.282 0.000 0.910 1029 V CB 2.138 34.166 31.823 0.342 0.000 1.008 1029 V HN 0.992 nan 8.190 nan 0.000 0.424 1030 S N 2.560 118.424 115.700 0.273 0.000 2.532 1030 S HA 0.963 5.432 4.470 -0.002 0.000 0.301 1030 S C -0.227 174.527 174.600 0.257 0.000 1.083 1030 S CA -0.311 58.021 58.200 0.220 0.000 1.025 1030 S CB 2.117 65.393 63.200 0.126 0.000 1.056 1030 S HN 1.305 nan 8.310 nan 0.000 0.494 1031 G N 0.675 109.571 108.800 0.161 0.000 2.612 1031 G HA2 0.661 4.619 3.960 -0.002 0.000 0.298 1031 G HA3 0.661 4.619 3.960 -0.002 0.000 0.298 1031 G C -1.694 173.080 174.900 -0.209 0.000 1.336 1031 G CA -0.841 44.154 45.100 -0.175 0.000 0.953 1031 G HN 0.727 nan 8.290 nan 0.000 0.482 1032 E N -0.345 119.661 120.200 -0.324 0.000 2.331 1032 E HA 0.696 5.045 4.350 -0.002 0.000 0.275 1032 E C -0.044 176.398 176.600 -0.263 0.000 0.895 1032 E CA -0.782 55.489 56.400 -0.215 0.000 0.753 1032 E CB 2.719 32.338 29.700 -0.134 0.000 1.216 1032 E HN 0.933 nan 8.360 nan 0.000 0.434 1033 G N 1.573 110.251 108.800 -0.202 0.000 2.485 1033 G HA2 0.347 4.305 3.960 -0.002 0.000 0.182 1033 G HA3 0.347 4.305 3.960 -0.002 0.000 0.182 1033 G C -1.610 173.186 174.900 -0.172 0.000 1.172 1033 G CA -0.550 44.432 45.100 -0.196 0.000 0.996 1033 G HN 0.586 nan 8.290 nan 0.000 0.496 1034 E N -1.339 118.736 120.200 -0.208 0.000 2.412 1034 E HA 0.608 4.957 4.350 -0.002 0.000 0.279 1034 E C -0.616 175.763 176.600 -0.368 0.000 0.984 1034 E CA -0.919 55.346 56.400 -0.225 0.000 0.788 1034 E CB 1.823 31.449 29.700 -0.124 0.000 1.277 1034 E HN 1.158 nan 8.360 nan 0.000 0.455 1035 G N 0.474 108.948 108.800 -0.544 0.000 2.495 1035 G HA2 0.469 4.428 3.960 -0.002 0.000 0.318 1035 G HA3 0.469 4.428 3.960 -0.002 0.000 0.318 1035 G C -1.544 173.281 174.900 -0.124 0.000 1.257 1035 G CA -0.488 44.150 45.100 -0.769 0.000 0.962 1035 G HN 0.439 nan 8.290 nan 0.000 0.483 1036 D N 1.407 121.852 120.400 0.075 0.000 2.408 1036 D HA 0.462 5.101 4.640 -0.002 0.000 0.261 1036 D C 1.151 177.650 176.300 0.331 0.000 1.190 1036 D CA -0.164 53.998 54.000 0.270 0.000 0.910 1036 D CB 1.301 42.263 40.800 0.271 0.000 1.097 1036 D HN 0.353 nan 8.370 nan 0.000 0.522 1037 A N 2.224 125.294 122.820 0.417 0.000 2.019 1037 A HA -0.117 4.201 4.320 -0.002 0.000 0.219 1037 A C 1.999 179.643 177.584 0.101 0.000 1.164 1037 A CA 1.471 53.685 52.037 0.296 0.000 0.644 1037 A CB -0.357 18.801 19.000 0.264 0.000 0.805 1037 A HN 0.532 nan 8.150 nan 0.000 0.449 1038 T N -1.034 113.518 114.554 -0.003 0.000 2.778 1038 T HA -0.182 4.167 4.350 -0.002 0.000 0.269 1038 T C 1.021 175.378 174.700 -0.571 0.000 1.050 1038 T CA 1.947 63.837 62.100 -0.351 0.000 1.137 1038 T CB -0.415 68.112 68.868 -0.569 0.000 0.860 1038 T HN 0.709 nan 8.240 nan 0.000 0.468 1039 Y N -0.367 120.007 120.300 0.123 0.000 2.531 1039 Y HA 0.467 5.016 4.550 -0.001 0.000 0.249 1039 Y C 1.700 177.702 175.900 0.170 0.000 1.168 1039 Y CA -0.580 57.600 58.100 0.133 0.000 1.226 1039 Y CB -0.022 38.531 38.460 0.154 0.000 1.177 1039 Y HN 0.208 nan 8.280 nan 0.000 0.527 1040 G N 1.446 110.369 108.800 0.205 0.000 2.225 1040 G HA2 -0.356 3.602 3.960 -0.002 0.000 0.267 1040 G HA3 -0.356 3.602 3.960 -0.002 0.000 0.267 1040 G C 0.146 175.120 174.900 0.124 0.000 1.024 1040 G CA 0.423 45.611 45.100 0.147 0.000 0.784 1040 G HN 0.379 nan 8.290 nan 0.000 0.507 1041 K N -0.033 120.437 120.400 0.117 0.000 2.213 1041 K HA 0.700 5.019 4.320 -0.002 0.000 0.270 1041 K C -0.001 176.453 176.600 -0.243 0.000 1.002 1041 K CA -0.854 55.337 56.287 -0.160 0.000 0.868 1041 K CB 0.504 33.011 32.500 0.013 0.000 1.093 1041 K HN 0.176 nan 8.250 nan 0.000 0.454 1042 L N 3.566 124.562 121.223 -0.379 0.000 2.362 1042 L HA 0.457 4.796 4.340 -0.002 0.000 0.275 1042 L C -0.497 176.193 176.870 -0.300 0.000 0.998 1042 L CA -0.851 53.801 54.840 -0.313 0.000 0.820 1042 L CB 2.210 44.141 42.059 -0.215 0.000 1.270 1042 L HN 0.755 nan 8.230 nan 0.000 0.415 1043 T N 1.472 115.878 114.554 -0.246 0.000 2.906 1043 T HA 0.776 5.125 4.350 -0.002 0.000 0.302 1043 T C -0.742 173.839 174.700 -0.199 0.000 1.002 1043 T CA -0.602 61.381 62.100 -0.195 0.000 0.988 1043 T CB 1.078 69.849 68.868 -0.162 0.000 0.972 1043 T HN 0.309 nan 8.240 nan 0.000 0.447 1044 L N 1.973 123.079 121.223 -0.195 0.000 2.409 1044 L HA 0.683 5.022 4.340 -0.002 0.000 0.262 1044 L C -0.527 176.120 176.870 -0.372 0.000 0.992 1044 L CA -0.950 53.686 54.840 -0.340 0.000 0.817 1044 L CB 2.831 44.644 42.059 -0.409 0.000 1.350 1044 L HN 0.617 nan 8.230 nan 0.000 0.411 1045 K N 1.897 121.999 120.400 -0.498 0.000 2.376 1045 K HA 0.654 4.973 4.320 -0.002 0.000 0.257 1045 K C -1.785 174.493 176.600 -0.536 0.000 0.939 1045 K CA -0.406 55.666 56.287 -0.358 0.000 0.809 1045 K CB 1.234 33.628 32.500 -0.177 0.000 1.121 1045 K HN 0.325 nan 8.250 nan 0.000 0.425 1046 F N 4.151 124.068 119.950 -0.056 0.000 2.522 1046 F HA 0.553 5.078 4.527 -0.003 0.000 0.324 1046 F C 0.014 175.831 175.800 0.028 0.000 1.077 1046 F CA -0.855 57.152 58.000 0.012 0.000 0.944 1046 F CB 1.532 40.563 39.000 0.052 0.000 1.175 1046 F HN 0.233 nan 8.300 nan 0.000 0.468 1047 I N 1.882 122.679 120.570 0.379 0.000 2.582 1047 I HA 0.244 4.413 4.170 -0.002 0.000 0.292 1047 I C -1.058 175.347 176.117 0.480 0.000 1.066 1047 I CA -0.742 60.776 61.300 0.362 0.000 1.053 1047 I CB 2.020 40.134 38.000 0.190 0.000 1.241 1047 I HN 0.579 nan 8.210 nan 0.000 0.421 1048 C N 4.877 124.491 119.300 0.523 0.000 2.442 1048 C HA 0.219 4.678 4.460 -0.002 0.000 0.362 1048 C C 1.796 176.919 174.990 0.221 0.000 1.242 1048 C CA -0.046 59.174 59.018 0.337 0.000 1.741 1048 C CB -0.725 27.149 27.740 0.223 0.000 2.378 1048 C HN 0.963 nan 8.230 nan 0.000 0.549 1049 T N 0.791 115.455 114.554 0.184 0.000 3.148 1049 T HA -0.039 4.309 4.350 -0.002 0.000 0.253 1049 T C 1.134 175.894 174.700 0.100 0.000 1.134 1049 T CA 1.152 63.329 62.100 0.128 0.000 1.051 1049 T CB -0.358 68.575 68.868 0.108 0.000 0.959 1049 T HN 0.840 nan 8.240 nan 0.000 0.525 1050 T N -2.531 112.088 114.554 0.109 0.000 3.054 1050 T HA 0.640 4.989 4.350 -0.002 0.000 0.255 1050 T C 1.279 176.023 174.700 0.074 0.000 1.035 1050 T CA 0.130 62.282 62.100 0.086 0.000 0.941 1050 T CB 0.377 69.305 68.868 0.099 0.000 1.026 1050 T HN 0.784 nan 8.240 nan 0.000 0.533 1051 G N 1.534 110.380 108.800 0.078 0.000 2.436 1051 G HA2 -0.042 3.917 3.960 -0.002 0.000 0.205 1051 G HA3 -0.042 3.917 3.960 -0.002 0.000 0.205 1051 G C -1.225 173.705 174.900 0.051 0.000 1.188 1051 G CA -0.668 44.467 45.100 0.058 0.000 1.267 1051 G HN 0.472 nan 8.290 nan 0.000 0.536 1052 K N 0.551 120.958 120.400 0.012 0.000 2.205 1052 K HA 0.557 4.876 4.320 -0.002 0.000 0.279 1052 K C -0.436 176.099 176.600 -0.107 0.000 1.027 1052 K CA -0.660 55.607 56.287 -0.033 0.000 0.932 1052 K CB 1.248 33.711 32.500 -0.062 0.000 1.032 1052 K HN 0.435 nan 8.250 nan 0.000 0.466 1053 L N 7.444 128.543 121.223 -0.206 0.000 2.360 1053 L HA 0.178 4.517 4.340 -0.002 0.000 0.276 1053 L C -1.747 174.871 176.870 -0.421 0.000 1.121 1053 L CA -1.176 53.378 54.840 -0.476 0.000 0.845 1053 L CB 0.951 42.508 42.059 -0.837 0.000 1.143 1053 L HN 0.573 nan 8.230 nan 0.000 0.452 1054 P HA 0.022 nan 4.420 nan 0.000 0.249 1054 P C -0.452 176.554 177.300 -0.490 0.000 1.229 1054 P CA 0.416 63.295 63.100 -0.368 0.000 0.788 1054 P CB 0.053 31.550 31.700 -0.338 0.000 1.072 1055 V N -5.091 114.441 119.914 -0.637 0.000 3.102 1055 V HA 0.726 4.845 4.120 -0.002 0.000 0.312 1055 V C -3.212 172.565 176.094 -0.529 0.000 1.135 1055 V CA -3.359 58.540 62.300 -0.669 0.000 1.022 1055 V CB 1.518 32.988 31.823 -0.590 0.000 1.056 1055 V HN -0.348 nan 8.190 nan 0.000 0.436 1056 P HA 0.230 nan 4.420 nan 0.000 0.271 1056 P C -0.123 177.104 177.300 -0.122 0.000 1.216 1056 P CA 0.154 63.147 63.100 -0.179 0.000 0.771 1056 P CB 0.430 32.050 31.700 -0.134 0.000 0.864 1057 W N 4.292 125.611 121.300 0.031 0.000 2.304 1057 W HA -0.165 4.494 4.660 -0.003 0.000 0.315 1057 W C -0.664 175.891 176.519 0.059 0.000 1.233 1057 W CA 1.611 58.994 57.345 0.063 0.000 1.261 1057 W CB -2.465 27.123 29.460 0.214 0.000 1.150 1057 W HN 0.549 nan 8.180 nan 0.000 0.494 1058 P HA -0.186 nan 4.420 nan 0.000 0.219 1058 P C 1.585 179.069 177.300 0.306 0.000 1.146 1058 P CA 2.708 65.999 63.100 0.318 0.000 0.808 1058 P CB -0.531 31.326 31.700 0.262 0.000 0.779 1059 T N -3.764 110.829 114.554 0.065 0.000 3.051 1059 T HA -0.024 4.325 4.350 -0.002 0.000 0.269 1059 T C 1.406 176.374 174.700 0.446 0.000 1.127 1059 T CA 0.834 63.071 62.100 0.228 0.000 1.107 1059 T CB -0.927 67.987 68.868 0.076 0.000 0.898 1059 T HN 0.085 nan 8.240 nan 0.000 0.517 1060 L N 0.108 121.494 121.223 0.271 0.000 2.616 1060 L HA 0.271 4.610 4.340 -0.002 0.000 0.229 1060 L C 2.415 179.363 176.870 0.129 0.000 1.110 1060 L CA -0.136 54.819 54.840 0.192 0.000 0.884 1060 L CB 0.012 42.105 42.059 0.057 0.000 1.115 1060 L HN 0.110 nan 8.230 nan 0.000 0.481 1061 V N 0.656 120.654 119.914 0.140 0.000 2.287 1061 V HA -0.324 3.794 4.120 -0.002 0.000 0.248 1061 V C 2.801 178.907 176.094 0.020 0.000 1.053 1061 V CA 2.780 65.055 62.300 -0.042 0.000 1.027 1061 V CB -0.899 30.736 31.823 -0.313 0.000 0.646 1061 V HN 0.679 nan 8.190 nan 0.000 0.447 1062 T N -3.246 111.419 114.554 0.184 0.000 2.867 1062 T HA -0.195 4.154 4.350 -0.002 0.000 0.268 1062 T C 1.764 176.588 174.700 0.207 0.000 1.057 1062 T CA 1.963 64.181 62.100 0.197 0.000 1.136 1062 T CB -0.639 68.455 68.868 0.377 0.000 0.874 1062 T HN 0.457 nan 8.240 nan 0.000 0.466 1063 T N 1.956 116.637 114.554 0.212 0.000 2.812 1063 T HA 0.246 4.595 4.350 -0.002 0.000 0.264 1063 T C 1.009 175.778 174.700 0.115 0.000 1.042 1063 T CA 0.473 62.675 62.100 0.170 0.000 1.140 1063 T CB -0.408 68.547 68.868 0.146 0.000 0.870 1063 T HN 0.295 nan 8.240 nan 0.000 0.445 1069 Q N 0.393 120.195 119.800 0.003 0.000 2.500 1069 Q HA -0.081 4.258 4.340 -0.002 0.000 0.213 1069 Q C 2.099 177.798 176.000 -0.502 0.000 0.974 1069 Q CA 1.645 57.199 55.803 -0.415 0.000 0.918 1069 Q CB 0.031 28.156 28.738 -1.022 0.000 0.980 1069 Q HN 1.119 nan 8.270 nan 0.000 0.505 1070 C N -1.274 117.900 119.300 -0.210 0.000 2.430 1070 C HA -0.022 4.437 4.460 -0.002 0.000 0.288 1070 C C 1.624 176.215 174.990 -0.666 0.000 1.448 1070 C CA -0.254 58.550 59.018 -0.358 0.000 1.784 1070 C CB -1.429 26.106 27.740 -0.341 0.000 1.776 1070 C HN 0.239 nan 8.230 nan 0.000 0.547 1071 F N 2.163 122.041 119.950 -0.120 0.000 2.732 1071 F HA 0.210 4.736 4.527 -0.001 0.000 0.303 1071 F C 1.473 177.237 175.800 -0.060 0.000 1.110 1071 F CA -0.092 57.879 58.000 -0.048 0.000 1.355 1071 F CB -0.528 38.496 39.000 0.040 0.000 1.081 1071 F HN 0.040 nan 8.300 nan 0.000 0.565 1072 S N 0.933 116.648 115.700 0.025 0.000 2.560 1072 S HA 0.069 4.538 4.470 -0.002 0.000 0.284 1072 S C 0.537 175.177 174.600 0.068 0.000 1.327 1072 S CA -0.592 57.607 58.200 -0.002 0.000 1.055 1072 S CB 0.525 63.725 63.200 0.000 0.000 0.868 1072 S HN 0.292 nan 8.310 nan 0.000 0.506 1073 R N 2.270 122.762 120.500 -0.014 0.000 2.242 1073 R HA 0.135 4.474 4.340 -0.002 0.000 0.334 1073 R C -1.504 174.746 176.300 -0.082 0.000 1.071 1073 R CA -0.111 55.984 56.100 -0.008 0.000 0.922 1073 R CB 0.001 30.288 30.300 -0.023 0.000 1.023 1073 R HN 0.573 nan 8.270 nan 0.000 0.458 1074 Y N 6.325 126.578 120.300 -0.079 0.000 2.367 1074 Y HA 0.279 4.828 4.550 -0.001 0.000 0.342 1074 Y C -1.625 174.197 175.900 -0.130 0.000 0.979 1074 Y CA -2.259 55.780 58.100 -0.101 0.000 1.161 1074 Y CB 1.159 39.570 38.460 -0.082 0.000 1.155 1074 Y HN 0.613 nan 8.280 nan 0.000 0.503 1075 P HA -0.079 nan 4.420 nan 0.000 0.266 1075 P C 0.505 177.731 177.300 -0.124 0.000 1.193 1075 P CA 0.282 63.293 63.100 -0.149 0.000 0.770 1075 P CB 0.848 32.339 31.700 -0.349 0.000 0.836 1076 D N 1.319 121.705 120.400 -0.023 0.000 2.149 1076 D HA -0.270 4.368 4.640 -0.002 0.000 0.194 1076 D C 1.543 177.855 176.300 0.020 0.000 1.001 1076 D CA 1.406 55.414 54.000 0.013 0.000 0.849 1076 D CB -0.183 40.647 40.800 0.050 0.000 0.939 1076 D HN 0.587 nan 8.370 nan 0.000 0.449 1077 H N -0.778 118.311 119.070 0.033 0.000 2.545 1077 H HA 0.010 4.564 4.556 -0.003 0.000 0.282 1077 H C 1.210 176.585 175.328 0.080 0.000 1.020 1077 H CA 0.642 56.713 56.048 0.039 0.000 1.243 1077 H CB -0.276 29.502 29.762 0.027 0.000 1.377 1077 H HN 0.337 nan 8.280 nan 0.000 0.581 1078 M N 1.320 120.779 119.600 -0.236 0.000 2.346 1078 M HA 0.099 4.577 4.480 -0.002 0.000 0.280 1078 M C 2.016 178.376 176.300 0.101 0.000 1.075 1078 M CA -0.118 55.188 55.300 0.010 0.000 0.989 1078 M CB 0.624 33.137 32.600 -0.146 0.000 1.447 1078 M HN 0.169 nan 8.290 nan 0.000 0.511 1079 K N 1.267 121.666 120.400 -0.003 0.000 2.160 1079 K HA -0.215 4.103 4.320 -0.002 0.000 0.206 1079 K C 1.590 178.087 176.600 -0.171 0.000 1.047 1079 K CA 1.623 57.872 56.287 -0.063 0.000 0.930 1079 K CB -0.392 32.076 32.500 -0.054 0.000 0.720 1079 K HN 0.431 nan 8.250 nan 0.000 0.450 1080 Q N 0.482 120.145 119.800 -0.229 0.000 2.515 1080 Q HA -0.130 4.208 4.340 -0.002 0.000 0.212 1080 Q C 0.292 175.968 176.000 -0.540 0.000 0.970 1080 Q CA 1.129 56.709 55.803 -0.372 0.000 0.941 1080 Q CB -0.202 28.301 28.738 -0.391 0.000 0.998 1080 Q HN 0.630 nan 8.270 nan 0.000 0.518 1081 H N 0.087 119.054 119.070 -0.172 0.000 2.592 1081 H HA 0.199 4.755 4.556 -0.000 0.000 0.279 1081 H C -0.500 174.638 175.328 -0.316 0.000 1.089 1081 H CA -0.243 55.687 56.048 -0.197 0.000 1.150 1081 H CB 0.652 30.246 29.762 -0.280 0.000 1.575 1081 H HN 0.211 nan 8.280 nan 0.000 0.547 1082 D N 1.050 121.166 120.400 -0.474 0.000 2.522 1082 D HA -0.047 4.592 4.640 -0.002 0.000 0.218 1082 D C 1.032 177.113 176.300 -0.366 0.000 1.149 1082 D CA -0.523 53.006 54.000 -0.785 0.000 0.981 1082 D CB -0.375 39.839 40.800 -0.977 0.000 1.041 1082 D HN 0.081 nan 8.370 nan 0.000 0.518 1083 F N 3.176 122.867 119.950 -0.433 0.000 2.095 1083 F HA -0.170 4.355 4.527 -0.003 0.000 0.298 1083 F C 1.226 176.813 175.800 -0.355 0.000 1.104 1083 F CA 1.505 59.249 58.000 -0.427 0.000 1.232 1083 F CB -0.273 38.371 39.000 -0.593 0.000 0.987 1083 F HN 0.231 nan 8.300 nan 0.000 0.475 1084 F N 0.962 120.796 119.950 -0.193 0.000 2.102 1084 F HA -0.163 4.364 4.527 -0.001 0.000 0.298 1084 F C 2.402 178.097 175.800 -0.175 0.000 1.105 1084 F CA 1.789 59.670 58.000 -0.198 0.000 1.239 1084 F CB -0.873 38.110 39.000 -0.028 0.000 0.991 1084 F HN -0.152 nan 8.300 nan 0.000 0.474 1085 K N 0.265 120.603 120.400 -0.104 0.000 2.103 1085 K HA -0.109 4.210 4.320 -0.002 0.000 0.204 1085 K C 2.286 178.857 176.600 -0.049 0.000 1.052 1085 K CA 1.434 57.640 56.287 -0.135 0.000 0.945 1085 K CB -0.417 31.904 32.500 -0.299 0.000 0.722 1085 K HN 0.307 nan 8.250 nan 0.000 0.443 1086 S N 1.087 116.677 115.700 -0.183 0.000 2.419 1086 S HA -0.107 4.362 4.470 -0.002 0.000 0.233 1086 S C 2.167 176.664 174.600 -0.171 0.000 1.016 1086 S CA 0.985 59.081 58.200 -0.173 0.000 0.974 1086 S CB -0.193 62.880 63.200 -0.213 0.000 0.786 1086 S HN 0.275 nan 8.310 nan 0.000 0.492 1087 A N 1.227 123.889 122.820 -0.264 0.000 2.119 1087 A HA 0.315 4.633 4.320 -0.002 0.000 0.217 1087 A C 1.136 178.728 177.584 0.013 0.000 1.153 1087 A CA 0.480 52.418 52.037 -0.164 0.000 0.692 1087 A CB -0.418 18.452 19.000 -0.217 0.000 0.799 1087 A HN 0.507 nan 8.150 nan 0.000 0.458 1088 M N -0.230 119.423 119.600 0.088 0.000 2.255 1088 M HA 0.219 4.697 4.480 -0.002 0.000 0.336 1088 M C -1.649 174.699 176.300 0.080 0.000 1.135 1088 M CA -2.454 52.953 55.300 0.180 0.000 1.145 1088 M CB 0.177 33.021 32.600 0.406 0.000 1.473 1088 M HN -0.029 nan 8.290 nan 0.000 0.462 1089 P HA 0.024 nan 4.420 nan 0.000 0.240 1089 P C 0.578 177.965 177.300 0.144 0.000 1.190 1089 P CA 0.930 64.114 63.100 0.141 0.000 0.781 1089 P CB 0.240 31.935 31.700 -0.009 0.000 0.931 1090 E N 0.216 120.461 120.200 0.075 0.000 2.110 1090 E HA 0.095 4.443 4.350 -0.002 0.000 0.193 1090 E C 1.204 177.833 176.600 0.047 0.000 0.988 1090 E CA 0.949 57.383 56.400 0.055 0.000 0.804 1090 E CB -0.379 29.345 29.700 0.039 0.000 0.745 1090 E HN 0.287 nan 8.360 nan 0.000 0.458 1091 G N -0.175 108.654 108.800 0.049 0.000 2.526 1091 G HA2 -0.153 3.805 3.960 -0.002 0.000 0.250 1091 G HA3 -0.153 3.805 3.960 -0.002 0.000 0.250 1091 G C -1.221 173.719 174.900 0.067 0.000 1.289 1091 G CA -0.457 44.629 45.100 -0.025 0.000 0.947 1091 G HN 0.239 nan 8.290 nan 0.000 0.517 1092 Y N -2.941 117.427 120.300 0.114 0.000 2.588 1092 Y HA 0.762 5.311 4.550 -0.003 0.000 0.343 1092 Y C -0.150 175.853 175.900 0.172 0.000 1.065 1092 Y CA -1.581 56.622 58.100 0.173 0.000 1.038 1092 Y CB 1.092 39.725 38.460 0.289 0.000 1.297 1092 Y HN 0.749 nan 8.280 nan 0.000 0.467 1093 V N 2.569 122.724 119.914 0.401 0.000 2.465 1093 V HA 0.367 4.485 4.120 -0.002 0.000 0.279 1093 V C -0.452 175.878 176.094 0.394 0.000 1.045 1093 V CA -0.505 61.976 62.300 0.302 0.000 0.938 1093 V CB 1.199 33.138 31.823 0.193 0.000 0.986 1093 V HN 0.838 nan 8.190 nan 0.000 0.467 1094 Q N 3.611 123.627 119.800 0.360 0.000 2.341 1094 Q HA 0.476 4.814 4.340 -0.002 0.000 0.268 1094 Q C -0.916 175.212 176.000 0.214 0.000 1.013 1094 Q CA -0.463 55.537 55.803 0.329 0.000 0.798 1094 Q CB 1.516 30.508 28.738 0.424 0.000 1.253 1094 Q HN 0.815 nan 8.270 nan 0.000 0.457 1095 E N 3.377 123.679 120.200 0.169 0.000 2.199 1095 E HA 0.537 4.886 4.350 -0.002 0.000 0.269 1095 E C -0.967 175.702 176.600 0.116 0.000 0.899 1095 E CA -0.782 55.691 56.400 0.123 0.000 0.772 1095 E CB 1.984 31.741 29.700 0.095 0.000 1.155 1095 E HN 0.419 nan 8.360 nan 0.000 0.408 1096 R N 1.110 121.665 120.500 0.091 0.000 2.795 1096 R HA 0.524 4.862 4.340 -0.002 0.000 0.275 1096 R C -0.994 175.302 176.300 -0.007 0.000 0.981 1096 R CA -0.832 55.305 56.100 0.061 0.000 0.917 1096 R CB 2.412 32.754 30.300 0.070 0.000 1.202 1096 R HN 0.407 nan 8.270 nan 0.000 0.469 1097 T N 2.554 117.072 114.554 -0.060 0.000 2.807 1097 T HA 0.521 4.870 4.350 -0.002 0.000 0.279 1097 T C -0.055 174.424 174.700 -0.368 0.000 0.993 1097 T CA -0.516 61.436 62.100 -0.247 0.000 0.970 1097 T CB 1.042 69.688 68.868 -0.370 0.000 0.950 1097 T HN 0.324 nan 8.240 nan 0.000 0.441 1098 I N 3.418 123.686 120.570 -0.503 0.000 2.382 1098 I HA 0.386 4.555 4.170 -0.002 0.000 0.285 1098 I C -0.918 174.776 176.117 -0.705 0.000 1.007 1098 I CA -0.736 60.153 61.300 -0.684 0.000 1.142 1098 I CB 0.975 38.513 38.000 -0.771 0.000 1.289 1098 I HN 0.549 nan 8.210 nan 0.000 0.453 1099 F N 5.916 125.645 119.950 -0.369 0.000 2.371 1099 F HA 0.383 4.909 4.527 -0.002 0.000 0.363 1099 F C -0.018 175.551 175.800 -0.385 0.000 1.122 1099 F CA -0.432 57.413 58.000 -0.258 0.000 1.129 1099 F CB 0.496 39.427 39.000 -0.115 0.000 1.173 1099 F HN 0.251 nan 8.300 nan 0.000 0.489 1100 F N 3.301 123.230 119.950 -0.034 0.000 2.413 1100 F HA 0.201 4.727 4.527 -0.002 0.000 0.359 1100 F C 0.766 176.559 175.800 -0.012 0.000 1.122 1100 F CA -0.823 57.162 58.000 -0.025 0.000 1.160 1100 F CB 0.575 39.556 39.000 -0.032 0.000 1.146 1100 F HN 0.355 nan 8.300 nan 0.000 0.514 1101 K N 4.171 124.646 120.400 0.126 0.000 2.504 1101 K HA -0.126 4.193 4.320 -0.002 0.000 0.278 1101 K C 0.140 176.781 176.600 0.068 0.000 1.025 1101 K CA 0.535 56.864 56.287 0.069 0.000 1.093 1101 K CB 0.109 32.636 32.500 0.045 0.000 0.873 1101 K HN 0.703 nan 8.250 nan 0.000 0.483 1102 D N 2.034 122.452 120.400 0.029 0.000 2.837 1102 D HA -0.212 4.427 4.640 -0.002 0.000 0.230 1102 D C -0.436 175.870 176.300 0.010 0.000 1.152 1102 D CA 1.401 55.409 54.000 0.014 0.000 0.736 1102 D CB -0.500 40.311 40.800 0.018 0.000 1.084 1102 D HN 0.718 nan 8.370 nan 0.000 0.429 1103 D N -2.202 118.192 120.400 -0.009 0.000 3.309 1103 D HA 0.506 5.145 4.640 -0.002 0.000 0.335 1103 D C 0.536 176.662 176.300 -0.290 0.000 1.393 1103 D CA 0.282 54.229 54.000 -0.090 0.000 0.963 1103 D CB 0.426 41.230 40.800 0.006 0.000 1.431 1103 D HN 0.022 nan 8.370 nan 0.000 0.583 1104 G N -0.747 107.522 108.800 -0.885 0.000 2.535 1104 G HA2 0.505 4.464 3.960 -0.002 0.000 0.282 1104 G HA3 0.505 4.464 3.960 -0.002 0.000 0.282 1104 G C -0.458 173.947 174.900 -0.825 0.000 1.350 1104 G CA -0.289 43.969 45.100 -1.403 0.000 1.039 1104 G HN 0.655 nan 8.290 nan 0.000 0.509 1105 N N -2.654 115.754 118.700 -0.488 0.000 2.240 1105 N HA 0.490 5.228 4.740 -0.002 0.000 0.302 1105 N C -1.773 173.916 175.510 0.300 0.000 1.106 1105 N CA -0.828 52.171 53.050 -0.085 0.000 0.778 1105 N CB 1.701 40.021 38.487 -0.278 0.000 1.431 1105 N HN 0.320 nan 8.380 nan 0.000 0.479 1106 Y N 0.196 120.631 120.300 0.224 0.000 2.342 1106 Y HA 0.476 5.025 4.550 -0.002 0.000 0.334 1106 Y C 0.023 175.903 175.900 -0.032 0.000 1.067 1106 Y CA -1.033 57.168 58.100 0.167 0.000 1.128 1106 Y CB 1.486 40.078 38.460 0.219 0.000 1.200 1106 Y HN 0.417 nan 8.280 nan 0.000 0.464 1107 K N 1.930 122.417 120.400 0.146 0.000 2.323 1107 K HA 0.590 4.909 4.320 -0.002 0.000 0.259 1107 K C -0.634 175.996 176.600 0.051 0.000 0.947 1107 K CA -0.717 55.595 56.287 0.042 0.000 0.819 1107 K CB 1.802 34.306 32.500 0.007 0.000 1.109 1107 K HN 0.751 nan 8.250 nan 0.000 0.429 1108 T N -0.134 114.449 114.554 0.049 0.000 2.893 1108 T HA 0.529 4.878 4.350 -0.002 0.000 0.291 1108 T C -0.685 174.050 174.700 0.059 0.000 1.028 1108 T CA -1.035 61.094 62.100 0.049 0.000 0.995 1108 T CB 1.936 70.848 68.868 0.074 0.000 1.051 1108 T HN 0.567 nan 8.240 nan 0.000 0.470 1109 R N 1.116 121.648 120.500 0.053 0.000 2.532 1109 R HA 0.720 5.058 4.340 -0.002 0.000 0.297 1109 R C -1.493 174.851 176.300 0.073 0.000 0.984 1109 R CA -0.620 55.522 56.100 0.069 0.000 0.884 1109 R CB 1.560 31.892 30.300 0.053 0.000 1.182 1109 R HN 1.015 nan 8.270 nan 0.000 0.442 1110 A N 3.632 126.516 122.820 0.107 0.000 2.401 1110 A HA 0.513 4.832 4.320 -0.002 0.000 0.310 1110 A C -1.200 176.446 177.584 0.104 0.000 1.075 1110 A CA -0.759 51.339 52.037 0.103 0.000 0.746 1110 A CB 1.653 20.732 19.000 0.131 0.000 1.277 1110 A HN 0.779 nan 8.150 nan 0.000 0.425 1111 E N 0.742 120.976 120.200 0.057 0.000 2.158 1111 E HA 0.511 4.860 4.350 -0.002 0.000 0.271 1111 E C -1.345 175.221 176.600 -0.057 0.000 0.911 1111 E CA -0.673 55.737 56.400 0.016 0.000 0.767 1111 E CB 2.206 31.916 29.700 0.015 0.000 1.120 1111 E HN 0.336 nan 8.360 nan 0.000 0.405 1112 V N 4.613 124.402 119.914 -0.208 0.000 2.378 1112 V HA 0.434 4.553 4.120 -0.002 0.000 0.288 1112 V C -0.168 175.704 176.094 -0.370 0.000 1.016 1112 V CA -0.544 61.551 62.300 -0.341 0.000 0.840 1112 V CB 0.812 32.269 31.823 -0.610 0.000 0.994 1112 V HN 0.691 nan 8.190 nan 0.000 0.431 1113 K N 3.314 123.578 120.400 -0.228 0.000 2.615 1113 K HA 0.578 4.896 4.320 -0.002 0.000 0.291 1113 K C -1.650 174.854 176.600 -0.160 0.000 1.017 1113 K CA -0.935 55.273 56.287 -0.133 0.000 0.882 1113 K CB 1.454 33.929 32.500 -0.041 0.000 1.522 1113 K HN 0.200 nan 8.250 nan 0.000 0.412 1114 F N 1.316 121.243 119.950 -0.039 0.000 2.384 1114 F HA 0.265 4.791 4.527 -0.001 0.000 0.338 1114 F C 0.274 176.060 175.800 -0.023 0.000 1.103 1114 F CA 0.038 58.017 58.000 -0.036 0.000 1.157 1114 F CB 1.195 40.156 39.000 -0.064 0.000 1.167 1114 F HN 0.312 nan 8.300 nan 0.000 0.529 1115 E N 2.801 123.090 120.200 0.148 0.000 2.255 1115 E HA 0.364 4.713 4.350 -0.002 0.000 0.245 1115 E C 0.651 177.321 176.600 0.116 0.000 0.909 1115 E CA -0.047 56.412 56.400 0.098 0.000 0.747 1115 E CB 1.111 30.839 29.700 0.047 0.000 1.215 1115 E HN 0.806 nan 8.360 nan 0.000 0.424 1116 G N 4.481 113.347 108.800 0.109 0.000 2.583 1116 G HA2 -0.368 3.591 3.960 -0.002 0.000 0.292 1116 G HA3 -0.368 3.591 3.960 -0.002 0.000 0.292 1116 G C 0.581 175.564 174.900 0.139 0.000 1.203 1116 G CA 0.445 45.595 45.100 0.082 0.000 0.987 1116 G HN 0.496 nan 8.290 nan 0.000 0.554 1117 D N 1.239 121.706 120.400 0.113 0.000 2.355 1117 D HA 0.200 4.839 4.640 -0.002 0.000 0.218 1117 D C 1.210 177.657 176.300 0.245 0.000 1.004 1117 D CA 1.227 55.312 54.000 0.141 0.000 0.880 1117 D CB -0.039 40.800 40.800 0.066 0.000 0.911 1117 D HN 0.351 nan 8.370 nan 0.000 0.528 1118 T N 1.697 116.365 114.554 0.190 0.000 2.799 1118 T HA 0.209 4.558 4.350 -0.002 0.000 0.286 1118 T C 0.050 174.714 174.700 -0.060 0.000 0.973 1118 T CA -0.632 61.520 62.100 0.087 0.000 1.035 1118 T CB 1.769 70.660 68.868 0.039 0.000 0.932 1118 T HN -0.089 nan 8.240 nan 0.000 0.469 1119 L N 5.634 126.724 121.223 -0.221 0.000 2.278 1119 L HA 0.470 4.809 4.340 -0.002 0.000 0.287 1119 L C -0.834 175.934 176.870 -0.171 0.000 1.072 1119 L CA -0.172 54.370 54.840 -0.496 0.000 0.819 1119 L CB 0.427 42.264 42.059 -0.369 0.000 1.176 1119 L HN 0.385 nan 8.230 nan 0.000 0.435 1120 V N 5.488 125.299 119.914 -0.171 0.000 2.459 1120 V HA 0.378 4.497 4.120 -0.002 0.000 0.295 1120 V C -0.036 176.033 176.094 -0.043 0.000 1.029 1120 V CA -0.829 61.434 62.300 -0.062 0.000 0.874 1120 V CB 1.850 33.648 31.823 -0.042 0.000 0.985 1120 V HN 0.784 nan 8.190 nan 0.000 0.438 1121 N N 4.264 122.976 118.700 0.020 0.000 2.518 1121 N HA 0.390 5.129 4.740 -0.002 0.000 0.254 1121 N C -0.659 174.886 175.510 0.058 0.000 0.979 1121 N CA -0.531 52.547 53.050 0.047 0.000 0.930 1121 N CB 0.922 39.473 38.487 0.108 0.000 1.152 1121 N HN 0.589 nan 8.380 nan 0.000 0.505 1122 R N 3.324 123.847 120.500 0.038 0.000 2.295 1122 R HA 0.565 4.903 4.340 -0.002 0.000 0.324 1122 R C -0.452 175.873 176.300 0.040 0.000 0.968 1122 R CA -0.521 55.602 56.100 0.037 0.000 0.837 1122 R CB 1.147 31.460 30.300 0.021 0.000 1.133 1122 R HN 0.490 nan 8.270 nan 0.000 0.450 1123 I N 1.694 122.286 120.570 0.036 0.000 2.608 1123 I HA 0.256 4.424 4.170 -0.002 0.000 0.295 1123 I C -0.141 175.969 176.117 -0.011 0.000 1.049 1123 I CA -0.839 60.478 61.300 0.029 0.000 1.063 1123 I CB 2.273 40.298 38.000 0.041 0.000 1.248 1123 I HN 0.566 nan 8.210 nan 0.000 0.424 1124 E N 6.310 126.500 120.200 -0.017 0.000 2.183 1124 E HA 0.695 5.044 4.350 -0.002 0.000 0.271 1124 E C -1.415 175.146 176.600 -0.065 0.000 0.919 1124 E CA -0.868 55.498 56.400 -0.057 0.000 0.781 1124 E CB 2.933 32.609 29.700 -0.041 0.000 1.140 1124 E HN 0.546 nan 8.360 nan 0.000 0.402 1125 L N 2.359 123.504 121.223 -0.130 0.000 2.385 1125 L HA 0.576 4.915 4.340 -0.002 0.000 0.273 1125 L C -1.426 175.363 176.870 -0.136 0.000 0.990 1125 L CA -0.876 53.881 54.840 -0.139 0.000 0.821 1125 L CB 1.654 43.579 42.059 -0.224 0.000 1.279 1125 L HN 0.506 nan 8.230 nan 0.000 0.412 1126 K N 3.403 123.775 120.400 -0.047 0.000 2.463 1126 K HA 0.717 5.036 4.320 -0.002 0.000 0.255 1126 K C -0.748 175.928 176.600 0.126 0.000 0.942 1126 K CA -0.333 55.959 56.287 0.008 0.000 0.814 1126 K CB 1.946 34.457 32.500 0.019 0.000 1.122 1126 K HN 0.650 nan 8.250 nan 0.000 0.425 1127 G N 4.941 113.857 108.800 0.193 0.000 2.478 1127 G HA2 0.665 4.624 3.960 -0.002 0.000 0.317 1127 G HA3 0.665 4.624 3.960 -0.002 0.000 0.317 1127 G C -0.666 174.491 174.900 0.429 0.000 1.259 1127 G CA -0.744 44.648 45.100 0.487 0.000 0.933 1127 G HN 0.719 nan 8.290 nan 0.000 0.478 1128 I N -1.300 119.513 120.570 0.405 0.000 3.145 1128 I HA 0.696 4.864 4.170 -0.002 0.000 0.313 1128 I C -0.383 175.793 176.117 0.098 0.000 1.122 1128 I CA -1.065 60.388 61.300 0.256 0.000 0.987 1128 I CB 2.599 40.672 38.000 0.123 0.000 1.236 1128 I HN 0.436 nan 8.210 nan 0.000 0.453 1129 D N 0.345 120.782 120.400 0.061 0.000 3.076 1129 D HA -0.193 4.445 4.640 -0.002 0.000 0.218 1129 D C -0.532 175.676 176.300 -0.154 0.000 1.156 1129 D CA 1.112 55.078 54.000 -0.056 0.000 0.921 1129 D CB -1.447 39.288 40.800 -0.108 0.000 1.113 1129 D HN 0.424 nan 8.370 nan 0.000 0.418 1130 F N 0.981 120.951 119.950 0.034 0.000 2.418 1130 F HA 0.221 4.747 4.527 -0.002 0.000 0.341 1130 F C 1.623 177.424 175.800 0.002 0.000 1.120 1130 F CA -0.067 57.934 58.000 0.001 0.000 1.232 1130 F CB 0.625 39.610 39.000 -0.024 0.000 1.175 1130 F HN -0.407 nan 8.300 nan 0.000 0.569 1131 K N 2.410 122.904 120.400 0.156 0.000 2.339 1131 K HA 0.029 4.347 4.320 -0.002 0.000 0.286 1131 K C 0.877 177.532 176.600 0.091 0.000 1.050 1131 K CA -0.299 56.045 56.287 0.095 0.000 0.956 1131 K CB 0.724 33.257 32.500 0.055 0.000 0.990 1131 K HN 0.542 nan 8.250 nan 0.000 0.475 1132 E N 1.878 122.123 120.200 0.075 0.000 2.265 1132 E HA -0.171 4.178 4.350 -0.002 0.000 0.196 1132 E C 0.485 177.099 176.600 0.023 0.000 0.996 1132 E CA 1.226 57.660 56.400 0.056 0.000 0.832 1132 E CB 0.148 29.891 29.700 0.070 0.000 0.756 1132 E HN 0.635 nan 8.360 nan 0.000 0.491 1133 D N -1.088 119.327 120.400 0.025 0.000 2.462 1133 D HA 0.102 4.741 4.640 -0.002 0.000 0.221 1133 D C 0.887 177.193 176.300 0.011 0.000 1.173 1133 D CA -0.166 53.843 54.000 0.015 0.000 0.831 1133 D CB -0.298 40.513 40.800 0.019 0.000 1.001 1133 D HN -0.065 nan 8.370 nan 0.000 0.499 1134 G N 0.324 109.131 108.800 0.012 0.000 2.535 1134 G HA2 0.028 3.986 3.960 -0.002 0.000 0.282 1134 G HA3 0.028 3.986 3.960 -0.002 0.000 0.282 1134 G C 0.888 175.776 174.900 -0.020 0.000 1.350 1134 G CA -0.531 44.577 45.100 0.013 0.000 1.039 1134 G HN -0.034 nan 8.290 nan 0.000 0.509 1135 N N -0.877 117.813 118.700 -0.017 0.000 2.381 1135 N HA -0.078 4.660 4.740 -0.002 0.000 0.182 1135 N C 1.968 177.394 175.510 -0.140 0.000 1.025 1135 N CA 0.661 53.685 53.050 -0.043 0.000 0.888 1135 N CB -0.036 38.451 38.487 -0.000 0.000 0.965 1135 N HN 0.343 nan 8.380 nan 0.000 0.438 1136 I N 0.583 121.036 120.570 -0.195 0.000 2.405 1136 I HA -0.051 4.118 4.170 -0.002 0.000 0.236 1136 I C 2.154 177.966 176.117 -0.509 0.000 1.071 1136 I CA 0.610 61.672 61.300 -0.396 0.000 1.398 1136 I CB -0.623 37.053 38.000 -0.541 0.000 1.162 1136 I HN -0.059 nan 8.210 nan 0.000 0.432 1137 L N 0.385 121.379 121.223 -0.382 0.000 2.275 1137 L HA -0.049 4.290 4.340 -0.002 0.000 0.215 1137 L C 2.159 178.874 176.870 -0.259 0.000 1.119 1137 L CA 1.126 55.734 54.840 -0.386 0.000 0.790 1137 L CB -0.858 41.071 42.059 -0.216 0.000 0.919 1137 L HN 0.426 nan 8.230 nan 0.000 0.443 1138 G N -2.772 105.935 108.800 -0.155 0.000 2.985 1138 G HA2 -0.066 3.893 3.960 -0.002 0.000 0.209 1138 G HA3 -0.066 3.893 3.960 -0.002 0.000 0.209 1138 G C 0.315 175.246 174.900 0.051 0.000 1.165 1138 G CA -0.257 44.831 45.100 -0.020 0.000 0.776 1138 G HN 0.565 nan 8.290 nan 0.000 0.541 1139 H N -0.353 118.651 119.070 -0.110 0.000 2.750 1139 H HA -0.112 4.443 4.556 -0.002 0.000 0.327 1139 H C 0.565 175.864 175.328 -0.049 0.000 1.199 1139 H CA 1.223 57.214 56.048 -0.095 0.000 1.149 1139 H CB -1.219 28.484 29.762 -0.099 0.000 1.543 1139 H HN 0.486 nan 8.280 nan 0.000 0.427 1140 K N 0.673 121.083 120.400 0.018 0.000 2.399 1140 K HA 0.288 4.606 4.320 -0.002 0.000 0.204 1140 K C 0.749 177.371 176.600 0.037 0.000 1.023 1140 K CA -0.025 56.281 56.287 0.031 0.000 1.127 1140 K CB 1.075 33.587 32.500 0.019 0.000 0.856 1140 K HN 0.171 nan 8.250 nan 0.000 0.514 1141 L N 1.766 123.007 121.223 0.031 0.000 2.334 1141 L HA 0.242 4.580 4.340 -0.002 0.000 0.277 1141 L C 0.373 177.302 176.870 0.099 0.000 1.075 1141 L CA -0.663 54.208 54.840 0.052 0.000 0.804 1141 L CB 1.035 43.093 42.059 -0.001 0.000 1.174 1141 L HN 0.085 nan 8.230 nan 0.000 0.438 1142 E N 0.846 121.113 120.200 0.111 0.000 2.398 1142 E HA -0.068 4.281 4.350 -0.002 0.000 0.263 1142 E C -0.956 175.764 176.600 0.200 0.000 1.046 1142 E CA -0.053 56.431 56.400 0.140 0.000 0.908 1142 E CB 0.615 30.383 29.700 0.112 0.000 0.963 1142 E HN 0.329 nan 8.360 nan 0.000 0.431 1143 Y N 5.018 125.374 120.300 0.094 0.000 2.570 1143 Y HA 0.065 4.613 4.550 -0.002 0.000 0.336 1143 Y C -0.725 175.248 175.900 0.121 0.000 1.284 1143 Y CA -0.234 57.933 58.100 0.112 0.000 1.761 1143 Y CB -0.851 37.656 38.460 0.079 0.000 1.724 1143 Y HN 0.487 nan 8.280 nan 0.000 0.455 1144 N N 1.264 119.951 118.700 -0.021 0.000 3.106 1144 N HA 0.388 5.127 4.740 -0.002 0.000 0.253 1144 N C -2.350 173.254 175.510 0.157 0.000 1.506 1144 N CA -1.001 52.048 53.050 -0.002 0.000 0.876 1144 N CB 1.263 39.782 38.487 0.053 0.000 1.452 1144 N HN 0.145 nan 8.380 nan 0.000 0.542 1145 Y N -1.072 119.227 120.300 -0.001 0.000 2.581 1145 Y HA 0.520 5.068 4.550 -0.002 0.000 0.337 1145 Y C -1.320 174.600 175.900 0.034 0.000 1.108 1145 Y CA -0.705 57.432 58.100 0.061 0.000 1.033 1145 Y CB 1.983 40.475 38.460 0.054 0.000 1.318 1145 Y HN 0.623 nan 8.280 nan 0.000 0.459 1146 N N 0.527 119.189 118.700 -0.062 0.000 2.471 1146 N HA 0.441 5.180 4.740 -0.002 0.000 0.288 1146 N C -1.325 174.026 175.510 -0.265 0.000 1.220 1146 N CA -0.665 52.281 53.050 -0.174 0.000 0.893 1146 N CB 1.982 40.282 38.487 -0.312 0.000 1.256 1146 N HN 0.454 nan 8.380 nan 0.000 0.534 1147 S N 0.236 115.739 115.700 -0.328 0.000 2.562 1147 S HA 0.368 4.836 4.470 -0.002 0.000 0.275 1147 S C -0.576 173.675 174.600 -0.581 0.000 1.281 1147 S CA -0.388 57.663 58.200 -0.249 0.000 1.045 1147 S CB 0.329 63.473 63.200 -0.093 0.000 0.962 1147 S HN 0.377 nan 8.310 nan 0.000 0.503 1148 H N 1.217 120.311 119.070 0.040 0.000 2.980 1148 H HA 0.400 4.954 4.556 -0.002 0.000 0.367 1148 H C -0.951 174.346 175.328 -0.052 0.000 1.206 1148 H CA -0.879 55.147 56.048 -0.037 0.000 1.126 1148 H CB 1.405 31.099 29.762 -0.113 0.000 1.838 1148 H HN 0.448 nan 8.280 nan 0.000 0.552 1149 N N 0.657 119.353 118.700 -0.008 0.000 2.430 1149 N HA 0.314 5.053 4.740 -0.002 0.000 0.292 1149 N C -0.703 174.549 175.510 -0.431 0.000 1.051 1149 N CA -0.501 52.401 53.050 -0.248 0.000 0.917 1149 N CB 2.347 40.513 38.487 -0.535 0.000 1.164 1149 N HN 0.177 nan 8.380 nan 0.000 0.484 1150 V N 3.160 122.789 119.914 -0.476 0.000 2.378 1150 V HA 0.330 4.448 4.120 -0.002 0.000 0.288 1150 V C -1.008 174.883 176.094 -0.338 0.000 1.016 1150 V CA -0.669 61.364 62.300 -0.443 0.000 0.840 1150 V CB 0.369 31.873 31.823 -0.533 0.000 0.994 1150 V HN 0.500 nan 8.190 nan 0.000 0.431 1151 Y N 5.215 125.579 120.300 0.107 0.000 2.341 1151 Y HA 0.618 5.167 4.550 -0.003 0.000 0.340 1151 Y C 0.278 176.201 175.900 0.038 0.000 0.997 1151 Y CA -0.446 57.698 58.100 0.073 0.000 1.149 1151 Y CB 1.257 39.748 38.460 0.053 0.000 1.171 1151 Y HN 0.441 nan 8.280 nan 0.000 0.494 1152 I N 5.756 126.358 120.570 0.055 0.000 2.433 1152 I HA 0.495 4.663 4.170 -0.002 0.000 0.292 1152 I C -0.386 175.743 176.117 0.020 0.000 1.001 1152 I CA -0.755 60.530 61.300 -0.026 0.000 1.119 1152 I CB 1.293 39.158 38.000 -0.226 0.000 1.289 1152 I HN 0.574 nan 8.210 nan 0.000 0.438 1153 M N 4.147 123.768 119.600 0.035 0.000 2.619 1153 M HA 0.810 5.289 4.480 -0.002 0.000 0.297 1153 M C -0.739 175.559 176.300 -0.003 0.000 1.229 1153 M CA -0.908 54.419 55.300 0.045 0.000 0.860 1153 M CB 2.006 34.636 32.600 0.050 0.000 1.741 1153 M HN 0.465 nan 8.290 nan 0.000 0.462 1154 A N 0.820 123.646 122.820 0.010 0.000 2.445 1154 A HA 0.318 4.637 4.320 -0.002 0.000 0.242 1154 A C -0.581 176.978 177.584 -0.041 0.000 1.075 1154 A CA 0.053 52.072 52.037 -0.030 0.000 0.777 1154 A CB 0.013 19.018 19.000 0.009 0.000 1.013 1154 A HN 0.813 nan 8.150 nan 0.000 0.493 1155 D N 1.421 121.773 120.400 -0.079 0.000 2.434 1155 D HA 0.227 4.866 4.640 -0.002 0.000 0.275 1155 D C 0.764 177.042 176.300 -0.038 0.000 1.172 1155 D CA -0.257 53.711 54.000 -0.053 0.000 0.916 1155 D CB 0.322 41.079 40.800 -0.071 0.000 1.041 1155 D HN 0.538 nan 8.370 nan 0.000 0.501 1156 K N 0.600 120.991 120.400 -0.014 0.000 2.280 1156 K HA -0.105 4.213 4.320 -0.002 0.000 0.202 1156 K C 1.604 178.207 176.600 0.005 0.000 1.047 1156 K CA 0.883 57.170 56.287 0.000 0.000 0.942 1156 K CB 0.380 32.886 32.500 0.009 0.000 0.739 1156 K HN 0.487 nan 8.250 nan 0.000 0.457 1157 Q N 0.282 120.084 119.800 0.003 0.000 2.230 1157 Q HA -0.071 4.268 4.340 -0.002 0.000 0.202 1157 Q C 1.263 177.271 176.000 0.012 0.000 0.963 1157 Q CA 0.863 56.671 55.803 0.009 0.000 0.866 1157 Q CB 0.180 28.923 28.738 0.008 0.000 0.931 1157 Q HN 0.144 nan 8.270 nan 0.000 0.452 1158 K N 0.604 121.008 120.400 0.006 0.000 2.373 1158 K HA 0.046 4.365 4.320 -0.002 0.000 0.202 1158 K C -0.011 176.606 176.600 0.029 0.000 1.025 1158 K CA -0.249 56.048 56.287 0.016 0.000 1.115 1158 K CB 0.298 32.801 32.500 0.006 0.000 0.858 1158 K HN 0.083 nan 8.250 nan 0.000 0.525 1159 N N 0.982 119.698 118.700 0.026 0.000 2.716 1159 N HA -0.192 4.547 4.740 -0.002 0.000 0.250 1159 N C -0.296 175.256 175.510 0.070 0.000 1.033 1159 N CA 1.054 54.136 53.050 0.055 0.000 0.727 1159 N CB -0.817 37.717 38.487 0.079 0.000 0.950 1159 N HN 0.479 nan 8.380 nan 0.000 0.541 1160 G N -1.083 107.673 108.800 -0.074 0.000 3.003 1160 G HA2 0.738 4.696 3.960 -0.002 0.000 0.243 1160 G HA3 0.738 4.696 3.960 -0.002 0.000 0.243 1160 G C -0.661 173.926 174.900 -0.522 0.000 1.176 1160 G CA -0.267 44.617 45.100 -0.361 0.000 0.812 1160 G HN 0.596 nan 8.290 nan 0.000 0.584 1161 I N -2.759 117.432 120.570 -0.631 0.000 2.969 1161 I HA 0.726 4.895 4.170 -0.002 0.000 0.307 1161 I C -1.214 174.774 176.117 -0.216 0.000 1.149 1161 I CA -1.230 59.807 61.300 -0.438 0.000 1.008 1161 I CB 2.674 40.306 38.000 -0.613 0.000 1.232 1161 I HN 0.086 nan 8.210 nan 0.000 0.435 1162 K N 3.096 123.436 120.400 -0.100 0.000 2.207 1162 K HA 0.777 5.095 4.320 -0.002 0.000 0.255 1162 K C -1.305 175.318 176.600 0.038 0.000 0.941 1162 K CA -0.827 55.456 56.287 -0.007 0.000 0.825 1162 K CB 2.962 35.477 32.500 0.024 0.000 1.119 1162 K HN 0.547 nan 8.250 nan 0.000 0.430 1163 V N 2.552 122.524 119.914 0.096 0.000 2.760 1163 V HA 0.443 4.561 4.120 -0.002 0.000 0.309 1163 V C -0.670 175.520 176.094 0.159 0.000 1.077 1163 V CA -0.984 61.418 62.300 0.169 0.000 0.910 1163 V CB 2.102 34.073 31.823 0.248 0.000 1.008 1163 V HN 0.833 nan 8.190 nan 0.000 0.424 1164 N N 3.782 122.601 118.700 0.199 0.000 2.396 1164 N HA 0.833 5.572 4.740 -0.002 0.000 0.275 1164 N C -1.464 174.214 175.510 0.278 0.000 1.218 1164 N CA -0.578 52.493 53.050 0.036 0.000 0.812 1164 N CB 3.301 41.697 38.487 -0.151 0.000 1.592 1164 N HN 0.665 nan 8.380 nan 0.000 0.480 1165 F N -1.866 118.034 119.950 -0.083 0.000 2.842 1165 F HA 0.506 5.031 4.527 -0.003 0.000 0.319 1165 F C -2.086 173.623 175.800 -0.152 0.000 1.159 1165 F CA -1.176 56.787 58.000 -0.062 0.000 0.902 1165 F CB 1.274 40.203 39.000 -0.118 0.000 1.311 1165 F HN 0.119 nan 8.300 nan 0.000 0.453 1166 K N 2.249 122.672 120.400 0.038 0.000 2.376 1166 K HA 0.634 4.953 4.320 -0.002 0.000 0.257 1166 K C -1.511 174.959 176.600 -0.216 0.000 0.939 1166 K CA -0.810 55.415 56.287 -0.103 0.000 0.809 1166 K CB 2.360 34.830 32.500 -0.050 0.000 1.121 1166 K HN 0.441 nan 8.250 nan 0.000 0.425 1167 I N 3.127 123.486 120.570 -0.352 0.000 2.377 1167 I HA 0.327 4.495 4.170 -0.002 0.000 0.293 1167 I C -0.182 175.673 176.117 -0.438 0.000 0.987 1167 I CA -0.879 60.021 61.300 -0.666 0.000 1.185 1167 I CB 1.519 39.139 38.000 -0.634 0.000 1.341 1167 I HN 0.466 nan 8.210 nan 0.000 0.455 1168 R N 5.059 125.385 120.500 -0.290 0.000 2.288 1168 R HA 0.383 4.722 4.340 -0.002 0.000 0.326 1168 R C -0.554 175.625 176.300 -0.202 0.000 0.959 1168 R CA -0.513 55.495 56.100 -0.154 0.000 0.834 1168 R CB 0.695 30.991 30.300 -0.007 0.000 1.157 1168 R HN 0.408 nan 8.270 nan 0.000 0.470 1169 H N 1.572 120.643 119.070 0.002 0.000 2.502 1169 H HA 0.242 4.797 4.556 -0.002 0.000 0.327 1169 H C -0.146 175.196 175.328 0.024 0.000 1.099 1169 H CA -0.489 55.561 56.048 0.004 0.000 1.323 1169 H CB 1.116 30.924 29.762 0.076 0.000 1.450 1169 H HN 0.378 nan 8.280 nan 0.000 0.502 1170 N N 3.257 122.047 118.700 0.150 0.000 2.458 1170 N HA 0.160 4.898 4.740 -0.002 0.000 0.270 1170 N C 0.348 175.918 175.510 0.101 0.000 1.102 1170 N CA -0.167 52.941 53.050 0.097 0.000 0.967 1170 N CB 1.203 39.733 38.487 0.072 0.000 1.078 1170 N HN 0.430 nan 8.380 nan 0.000 0.471 1171 I N 1.029 121.648 120.570 0.082 0.000 2.612 1171 I HA 0.027 4.195 4.170 -0.002 0.000 0.295 1171 I C 1.962 178.114 176.117 0.057 0.000 1.011 1171 I CA -0.487 60.854 61.300 0.068 0.000 1.326 1171 I CB 1.059 39.094 38.000 0.059 0.000 1.427 1171 I HN 0.588 nan 8.210 nan 0.000 0.537 1172 E N 2.907 123.139 120.200 0.053 0.000 2.333 1172 E HA -0.243 4.106 4.350 -0.002 0.000 0.198 1172 E C 0.604 177.228 176.600 0.039 0.000 1.007 1172 E CA 1.292 57.722 56.400 0.049 0.000 0.845 1172 E CB -0.151 29.578 29.700 0.047 0.000 0.766 1172 E HN 0.792 nan 8.360 nan 0.000 0.507 1173 D N -0.365 120.056 120.400 0.036 0.000 2.328 1173 D HA 0.091 4.730 4.640 -0.002 0.000 0.221 1173 D C 1.329 177.646 176.300 0.029 0.000 1.072 1173 D CA 0.593 54.611 54.000 0.030 0.000 0.850 1173 D CB 0.434 41.250 40.800 0.027 0.000 0.922 1173 D HN 0.348 nan 8.370 nan 0.000 0.516 1174 G N -0.719 108.101 108.800 0.033 0.000 2.194 1174 G HA2 -0.276 3.682 3.960 -0.002 0.000 0.236 1174 G HA3 -0.276 3.682 3.960 -0.002 0.000 0.236 1174 G C 0.478 175.396 174.900 0.030 0.000 0.987 1174 G CA 0.342 45.460 45.100 0.030 0.000 0.635 1174 G HN 0.600 nan 8.290 nan 0.000 0.520 1175 S N -1.418 114.302 115.700 0.033 0.000 2.598 1175 S HA 0.753 5.221 4.470 -0.002 0.000 0.267 1175 S C 0.183 174.809 174.600 0.044 0.000 1.189 1175 S CA 0.368 58.588 58.200 0.034 0.000 1.010 1175 S CB 1.355 64.574 63.200 0.033 0.000 1.084 1175 S HN 0.953 nan 8.310 nan 0.000 0.541 1176 V N 1.991 121.932 119.914 0.046 0.000 2.686 1176 V HA 0.441 4.560 4.120 -0.002 0.000 0.306 1176 V C -1.079 175.059 176.094 0.073 0.000 1.065 1176 V CA -0.647 61.686 62.300 0.056 0.000 0.894 1176 V CB 1.717 33.561 31.823 0.035 0.000 1.004 1176 V HN 0.816 nan 8.190 nan 0.000 0.424 1177 Q N 3.828 123.697 119.800 0.115 0.000 2.400 1177 Q HA 0.527 4.865 4.340 -0.002 0.000 0.255 1177 Q C -1.075 175.017 176.000 0.154 0.000 1.008 1177 Q CA -0.304 55.596 55.803 0.161 0.000 0.841 1177 Q CB 1.363 30.239 28.738 0.231 0.000 1.220 1177 Q HN 0.680 nan 8.270 nan 0.000 0.474 1178 L N 3.180 124.456 121.223 0.088 0.000 2.380 1178 L HA 0.672 5.010 4.340 -0.002 0.000 0.273 1178 L C -0.889 175.979 176.870 -0.003 0.000 1.138 1178 L CA 0.372 55.219 54.840 0.012 0.000 0.832 1178 L CB 1.010 43.066 42.059 -0.004 0.000 1.124 1178 L HN 0.730 nan 8.230 nan 0.000 0.454 1179 A N 4.715 127.455 122.820 -0.134 0.000 2.466 1179 A HA 0.405 4.723 4.320 -0.002 0.000 0.291 1179 A C -0.968 176.490 177.584 -0.210 0.000 1.234 1179 A CA -0.727 51.097 52.037 -0.356 0.000 0.752 1179 A CB 0.061 18.780 19.000 -0.468 0.000 1.153 1179 A HN 0.713 nan 8.150 nan 0.000 0.458 1180 D N 1.989 122.282 120.400 -0.178 0.000 2.312 1180 D HA 0.259 4.898 4.640 -0.002 0.000 0.252 1180 D C -0.697 175.478 176.300 -0.208 0.000 1.150 1180 D CA 0.638 54.564 54.000 -0.122 0.000 0.870 1180 D CB 0.774 41.583 40.800 0.016 0.000 1.153 1180 D HN 0.561 nan 8.370 nan 0.000 0.457 1181 H N 1.558 120.259 119.070 -0.615 0.000 2.476 1181 H HA 0.269 4.823 4.556 -0.002 0.000 0.328 1181 H C -0.773 174.142 175.328 -0.687 0.000 1.073 1181 H CA -0.249 55.372 56.048 -0.710 0.000 1.229 1181 H CB 0.503 29.401 29.762 -1.441 0.000 1.432 1181 H HN 0.289 nan 8.280 nan 0.000 0.477 1182 Y N 1.650 121.866 120.300 -0.140 0.000 2.335 1182 Y HA 0.348 4.896 4.550 -0.003 0.000 0.338 1182 Y C 0.143 176.032 175.900 -0.019 0.000 0.977 1182 Y CA -0.581 57.495 58.100 -0.040 0.000 1.114 1182 Y CB 1.627 40.106 38.460 0.032 0.000 1.182 1182 Y HN 0.542 nan 8.280 nan 0.000 0.463 1183 Q N 3.772 123.656 119.800 0.140 0.000 2.359 1183 Q HA 0.504 4.842 4.340 -0.002 0.000 0.274 1183 Q C -1.791 174.282 176.000 0.121 0.000 1.074 1183 Q CA -0.943 54.945 55.803 0.143 0.000 0.810 1183 Q CB 2.364 31.219 28.738 0.196 0.000 1.342 1183 Q HN 0.804 nan 8.270 nan 0.000 0.427 1184 Q N 1.855 121.717 119.800 0.103 0.000 2.389 1184 Q HA 0.625 4.963 4.340 -0.002 0.000 0.277 1184 Q C -1.494 174.541 176.000 0.058 0.000 1.082 1184 Q CA -1.038 54.797 55.803 0.052 0.000 0.810 1184 Q CB 1.919 30.682 28.738 0.042 0.000 1.374 1184 Q HN 0.495 nan 8.270 nan 0.000 0.422 1185 N N 0.520 119.198 118.700 -0.035 0.000 2.258 1185 N HA 0.610 5.349 4.740 -0.002 0.000 0.299 1185 N C -1.561 173.936 175.510 -0.022 0.000 1.047 1185 N CA -0.405 52.648 53.050 0.006 0.000 0.814 1185 N CB 2.500 40.921 38.487 -0.111 0.000 1.413 1185 N HN 0.588 nan 8.380 nan 0.000 0.478 1186 T N 1.497 116.166 114.554 0.192 0.000 2.886 1186 T HA 0.540 4.889 4.350 -0.002 0.000 0.292 1186 T C -2.791 172.132 174.700 0.372 0.000 1.012 1186 T CA -1.298 60.935 62.100 0.222 0.000 0.982 1186 T CB 2.103 71.057 68.868 0.143 0.000 1.018 1186 T HN 0.280 nan 8.240 nan 0.000 0.451 1187 P HA 0.330 nan 4.420 nan 0.000 0.272 1187 P C 0.428 177.841 177.300 0.189 0.000 1.223 1187 P CA -0.309 62.964 63.100 0.289 0.000 0.784 1187 P CB 1.007 32.825 31.700 0.196 0.000 0.923 1188 I N 0.416 121.077 120.570 0.152 0.000 2.480 1188 I HA 0.019 4.188 4.170 -0.002 0.000 0.251 1188 I C 1.679 177.840 176.117 0.073 0.000 1.124 1188 I CA 0.874 62.235 61.300 0.101 0.000 1.444 1188 I CB -0.569 37.478 38.000 0.078 0.000 1.098 1188 I HN 0.422 nan 8.210 nan 0.000 0.428 1189 G N -0.290 108.549 108.800 0.064 0.000 2.580 1189 G HA2 -0.005 3.954 3.960 -0.002 0.000 0.278 1189 G HA3 -0.005 3.954 3.960 -0.002 0.000 0.278 1189 G C -0.179 174.747 174.900 0.044 0.000 1.212 1189 G CA -0.076 45.051 45.100 0.044 0.000 0.939 1189 G HN 0.108 nan 8.290 nan 0.000 0.513 1190 D N -1.248 119.169 120.400 0.030 0.000 2.369 1190 D HA 0.195 4.834 4.640 -0.002 0.000 0.211 1190 D C 1.474 177.786 176.300 0.020 0.000 1.077 1190 D CA 0.262 54.279 54.000 0.028 0.000 0.842 1190 D CB -0.101 40.712 40.800 0.020 0.000 0.947 1190 D HN 0.460 nan 8.370 nan 0.000 0.509 1191 G N 0.613 109.420 108.800 0.013 0.000 2.621 1191 G HA2 0.397 4.356 3.960 -0.002 0.000 0.271 1191 G HA3 0.397 4.356 3.960 -0.002 0.000 0.271 1191 G C -2.157 172.746 174.900 0.004 0.000 1.236 1191 G CA -0.870 44.232 45.100 0.002 0.000 0.958 1191 G HN 0.070 nan 8.290 nan 0.000 0.512 1192 P HA 0.354 nan 4.420 nan 0.000 0.275 1192 P C -0.294 176.996 177.300 -0.016 0.000 1.228 1192 P CA -0.208 62.890 63.100 -0.003 0.000 0.786 1192 P CB 1.407 33.100 31.700 -0.011 0.000 0.927 1193 V N -0.413 119.501 119.914 -0.000 0.000 3.102 1193 V HA 0.521 4.640 4.120 -0.002 0.000 0.312 1193 V C -0.338 175.759 176.094 0.005 0.000 1.135 1193 V CA -1.321 60.964 62.300 -0.026 0.000 1.022 1193 V CB 1.718 33.540 31.823 -0.002 0.000 1.056 1193 V HN 0.273 nan 8.190 nan 0.000 0.436 1194 L N 2.724 123.932 121.223 -0.024 0.000 2.278 1194 L HA 0.458 4.797 4.340 -0.002 0.000 0.287 1194 L C -0.494 176.426 176.870 0.083 0.000 1.072 1194 L CA -0.197 54.631 54.840 -0.021 0.000 0.819 1194 L CB 0.839 42.834 42.059 -0.107 0.000 1.176 1194 L HN 0.492 nan 8.230 nan 0.000 0.435 1195 L N 6.598 127.858 121.223 0.062 0.000 2.257 1195 L HA 0.443 4.782 4.340 -0.002 0.000 0.290 1195 L C -1.919 175.004 176.870 0.089 0.000 1.044 1195 L CA -1.722 53.160 54.840 0.071 0.000 0.810 1195 L CB 1.083 43.170 42.059 0.046 0.000 1.193 1195 L HN 0.403 nan 8.230 nan 0.000 0.425 1196 P HA 0.238 nan 4.420 nan 0.000 0.284 1196 P C -1.030 176.430 177.300 0.267 0.000 1.258 1196 P CA -0.671 62.605 63.100 0.294 0.000 0.824 1196 P CB 1.320 33.217 31.700 0.328 0.000 1.038 1197 D N 0.967 121.552 120.400 0.307 0.000 2.378 1197 D HA 0.056 4.695 4.640 -0.002 0.000 0.238 1197 D C 0.368 176.748 176.300 0.133 0.000 1.180 1197 D CA 0.373 54.438 54.000 0.109 0.000 0.895 1197 D CB 0.010 40.803 40.800 -0.012 0.000 1.192 1197 D HN 0.254 nan 8.370 nan 0.000 0.438 1198 N N 1.875 120.650 118.700 0.125 0.000 2.357 1198 N HA 0.020 4.759 4.740 -0.002 0.000 0.257 1198 N C 0.169 175.817 175.510 0.229 0.000 1.250 1198 N CA 0.634 53.783 53.050 0.165 0.000 0.862 1198 N CB 0.113 38.672 38.487 0.120 0.000 1.066 1198 N HN 0.483 nan 8.380 nan 0.000 0.468 1199 H N -0.605 118.520 119.070 0.092 0.000 2.883 1199 H HA 0.391 4.946 4.556 -0.002 0.000 0.277 1199 H C -1.355 174.081 175.328 0.181 0.000 1.451 1199 H CA -0.861 55.228 56.048 0.067 0.000 1.157 1199 H CB 0.617 30.324 29.762 -0.091 0.000 1.851 1199 H HN 0.507 nan 8.280 nan 0.000 0.566 1200 Y N -0.372 119.866 120.300 -0.103 0.000 2.615 1200 Y HA 0.704 5.253 4.550 -0.002 0.000 0.341 1200 Y C -1.683 174.088 175.900 -0.215 0.000 1.089 1200 Y CA -1.448 56.481 58.100 -0.285 0.000 1.049 1200 Y CB 1.504 39.699 38.460 -0.442 0.000 1.296 1200 Y HN 0.515 nan 8.280 nan 0.000 0.470 1201 L N 2.516 123.686 121.223 -0.089 0.000 2.317 1201 L HA 0.576 4.915 4.340 -0.002 0.000 0.281 1201 L C -0.099 176.796 176.870 0.040 0.000 1.024 1201 L CA -0.973 53.799 54.840 -0.113 0.000 0.810 1201 L CB 1.956 43.972 42.059 -0.073 0.000 1.240 1201 L HN 0.797 nan 8.230 nan 0.000 0.427 1202 S N 2.073 117.757 115.700 -0.027 0.000 2.429 1202 S HA 0.553 5.022 4.470 -0.002 0.000 0.302 1202 S C -1.083 173.497 174.600 -0.032 0.000 1.115 1202 S CA -0.306 57.934 58.200 0.067 0.000 1.095 1202 S CB 0.276 63.531 63.200 0.091 0.000 0.987 1202 S HN 0.331 nan 8.310 nan 0.000 0.474 1203 Y N 2.912 123.204 120.300 -0.012 0.000 2.377 1203 Y HA 0.475 5.024 4.550 -0.002 0.000 0.339 1203 Y C 0.363 176.291 175.900 0.048 0.000 1.011 1203 Y CA -0.551 57.558 58.100 0.016 0.000 1.093 1203 Y CB 1.846 40.308 38.460 0.004 0.000 1.201 1203 Y HN 0.576 nan 8.280 nan 0.000 0.455 1204 Q N 1.690 121.624 119.800 0.223 0.000 2.353 1204 Q HA 0.747 5.085 4.340 -0.002 0.000 0.268 1204 Q C -1.299 174.838 176.000 0.227 0.000 1.045 1204 Q CA -0.952 54.973 55.803 0.203 0.000 0.811 1204 Q CB 2.471 31.316 28.738 0.178 0.000 1.305 1204 Q HN 0.560 nan 8.270 nan 0.000 0.447 1205 S N 0.772 116.591 115.700 0.198 0.000 2.548 1205 S HA 0.821 5.290 4.470 -0.002 0.000 0.276 1205 S C -1.460 173.204 174.600 0.108 0.000 1.129 1205 S CA -0.795 57.481 58.200 0.126 0.000 0.931 1205 S CB 1.824 65.051 63.200 0.044 0.000 1.068 1205 S HN 0.663 nan 8.310 nan 0.000 0.480 1206 A N 3.062 125.913 122.820 0.052 0.000 2.356 1206 A HA 0.828 5.146 4.320 -0.002 0.000 0.310 1206 A C -1.101 176.465 177.584 -0.029 0.000 1.075 1206 A CA -0.651 51.406 52.037 0.034 0.000 0.746 1206 A CB 0.706 19.742 19.000 0.060 0.000 1.221 1206 A HN 0.759 nan 8.150 nan 0.000 0.443 1207 L N 2.277 123.447 121.223 -0.088 0.000 2.329 1207 L HA 0.772 5.111 4.340 -0.002 0.000 0.279 1207 L C 0.431 177.269 176.870 -0.053 0.000 1.014 1207 L CA -0.450 54.272 54.840 -0.198 0.000 0.814 1207 L CB 1.880 43.562 42.059 -0.628 0.000 1.257 1207 L HN 0.936 nan 8.230 nan 0.000 0.424 1208 S N 1.476 117.236 115.700 0.100 0.000 2.776 1208 S HA 0.692 5.161 4.470 -0.002 0.000 0.292 1208 S C -1.314 173.402 174.600 0.192 0.000 1.187 1208 S CA -1.123 57.197 58.200 0.200 0.000 0.834 1208 S CB 2.608 65.867 63.200 0.098 0.000 1.199 1208 S HN 0.384 nan 8.310 nan 0.000 0.514 1209 K N 0.872 121.343 120.400 0.117 0.000 2.318 1209 K HA 0.501 4.820 4.320 -0.002 0.000 0.249 1209 K C -1.638 175.083 176.600 0.202 0.000 0.942 1209 K CA -0.537 55.813 56.287 0.105 0.000 0.808 1209 K CB 1.731 34.220 32.500 -0.018 0.000 1.189 1209 K HN 0.794 nan 8.250 nan 0.000 0.428 1210 D N 3.185 123.810 120.400 0.375 0.000 2.313 1210 D HA 0.150 4.789 4.640 -0.002 0.000 0.239 1210 D C -1.480 174.836 176.300 0.028 0.000 1.142 1210 D CA -2.119 51.926 54.000 0.076 0.000 0.847 1210 D CB 1.243 41.978 40.800 -0.108 0.000 1.082 1210 D HN 0.078 nan 8.370 nan 0.000 0.480 1211 P HA -0.077 nan 4.420 nan 0.000 0.225 1211 P C 0.301 177.588 177.300 -0.021 0.000 1.148 1211 P CA 0.655 63.760 63.100 0.008 0.000 0.779 1211 P CB 0.443 32.147 31.700 0.006 0.000 0.780 1212 N N -0.251 118.417 118.700 -0.054 0.000 2.230 1212 N HA 0.027 4.766 4.740 -0.002 0.000 0.202 1212 N C 0.153 175.597 175.510 -0.109 0.000 1.119 1212 N CA 0.212 53.222 53.050 -0.066 0.000 0.851 1212 N CB 0.357 38.809 38.487 -0.057 0.000 0.990 1212 N HN 0.206 nan 8.380 nan 0.000 0.497 1213 E N 1.224 121.313 120.200 -0.186 0.000 2.133 1213 E HA 0.210 4.559 4.350 -0.002 0.000 0.274 1213 E C 0.400 176.887 176.600 -0.188 0.000 0.930 1213 E CA -0.328 55.888 56.400 -0.306 0.000 0.770 1213 E CB 0.747 29.988 29.700 -0.765 0.000 1.104 1213 E HN -0.229 nan 8.360 nan 0.000 0.403 1214 K N 3.335 123.680 120.400 -0.092 0.000 2.361 1214 K HA 0.206 4.524 4.320 -0.002 0.000 0.194 1214 K C 0.250 176.871 176.600 0.035 0.000 1.032 1214 K CA 0.082 56.363 56.287 -0.010 0.000 1.048 1214 K CB 0.260 32.755 32.500 -0.009 0.000 0.842 1214 K HN 0.397 nan 8.250 nan 0.000 0.526 1215 R N 1.521 122.037 120.500 0.027 0.000 2.707 1215 R HA 0.062 4.401 4.340 -0.002 0.000 0.270 1215 R C 0.029 176.464 176.300 0.226 0.000 1.083 1215 R CA -0.449 55.709 56.100 0.097 0.000 1.182 1215 R CB 0.250 30.598 30.300 0.080 0.000 1.084 1215 R HN -0.075 nan 8.270 nan 0.000 0.528 1216 D N 1.708 122.259 120.400 0.252 0.000 2.371 1216 D HA 0.026 4.664 4.640 -0.002 0.000 0.256 1216 D C -0.559 176.046 176.300 0.508 0.000 1.193 1216 D CA 0.545 54.761 54.000 0.359 0.000 0.881 1216 D CB 0.337 41.328 40.800 0.320 0.000 1.143 1216 D HN 0.527 nan 8.370 nan 0.000 0.473 1217 H N 1.534 120.657 119.070 0.088 0.000 2.981 1217 H HA 0.499 5.054 4.556 -0.002 0.000 0.327 1217 H C -1.666 173.091 175.328 -0.951 0.000 1.342 1217 H CA -1.125 54.726 56.048 -0.329 0.000 1.123 1217 H CB 0.948 30.621 29.762 -0.147 0.000 1.851 1217 H HN 0.411 nan 8.280 nan 0.000 0.531 1218 M N 2.445 121.471 119.600 -0.956 0.000 2.271 1218 M HA 0.441 4.920 4.480 -0.002 0.000 0.285 1218 M C -2.021 174.215 176.300 -0.108 0.000 1.059 1218 M CA -0.777 54.137 55.300 -0.644 0.000 0.940 1218 M CB 2.018 34.147 32.600 -0.786 0.000 1.636 1218 M HN 0.377 nan 8.290 nan 0.000 0.460 1219 V N 5.199 125.113 119.914 -0.001 0.000 2.439 1219 V HA 0.558 4.676 4.120 -0.002 0.000 0.282 1219 V C -0.839 175.275 176.094 0.034 0.000 1.039 1219 V CA -0.690 61.632 62.300 0.036 0.000 0.913 1219 V CB 1.474 33.327 31.823 0.049 0.000 0.983 1219 V HN 0.764 nan 8.190 nan 0.000 0.460 1220 L N 6.248 127.492 121.223 0.035 0.000 2.381 1220 L HA 0.727 5.065 4.340 -0.002 0.000 0.274 1220 L C -1.143 175.706 176.870 -0.035 0.000 0.988 1220 L CA -0.399 54.457 54.840 0.026 0.000 0.824 1220 L CB 1.653 43.801 42.059 0.148 0.000 1.263 1220 L HN 0.602 nan 8.230 nan 0.000 0.410 1221 L N 4.495 125.685 121.223 -0.054 0.000 2.341 1221 L HA 0.727 5.065 4.340 -0.002 0.000 0.278 1221 L C -0.958 175.827 176.870 -0.141 0.000 1.005 1221 L CA 0.151 54.919 54.840 -0.120 0.000 0.818 1221 L CB 1.608 43.637 42.059 -0.051 0.000 1.259 1221 L HN 0.828 nan 8.230 nan 0.000 0.418 1222 E N 3.421 123.425 120.200 -0.326 0.000 2.352 1222 E HA 0.542 4.891 4.350 -0.002 0.000 0.280 1222 E C -2.001 174.293 176.600 -0.511 0.000 0.930 1222 E CA -0.508 55.760 56.400 -0.220 0.000 0.765 1222 E CB 1.440 31.099 29.700 -0.068 0.000 1.219 1222 E HN 0.477 nan 8.360 nan 0.000 0.434 1223 F N 2.111 122.053 119.950 -0.014 0.000 2.540 1223 F HA 0.567 5.092 4.527 -0.003 0.000 0.317 1223 F C -0.739 174.957 175.800 -0.173 0.000 1.104 1223 F CA -0.785 57.181 58.000 -0.057 0.000 0.913 1223 F CB 2.075 41.060 39.000 -0.026 0.000 1.170 1223 F HN 0.123 nan 8.300 nan 0.000 0.450 1224 V N 1.844 121.704 119.914 -0.090 0.000 2.623 1224 V HA 0.642 4.761 4.120 -0.002 0.000 0.304 1224 V C -0.770 175.177 176.094 -0.245 0.000 1.054 1224 V CA -0.630 61.424 62.300 -0.409 0.000 0.882 1224 V CB 2.032 33.461 31.823 -0.656 0.000 1.002 1224 V HN 0.812 nan 8.190 nan 0.000 0.424 1225 T N 3.431 117.827 114.554 -0.264 0.000 2.928 1225 T HA 0.706 5.055 4.350 -0.002 0.000 0.296 1225 T C 0.043 174.546 174.700 -0.328 0.000 1.000 1225 T CA -0.307 61.657 62.100 -0.227 0.000 0.989 1225 T CB 1.811 70.596 68.868 -0.138 0.000 1.005 1225 T HN 0.989 nan 8.240 nan 0.000 0.442 1226 A N 2.376 124.908 122.820 -0.481 0.000 2.388 1226 A HA 0.873 5.192 4.320 -0.002 0.000 0.257 1226 A C 0.358 177.657 177.584 -0.475 0.000 1.095 1226 A CA -0.175 51.494 52.037 -0.614 0.000 0.791 1226 A CB 0.064 18.296 19.000 -1.279 0.000 1.029 1226 A HN 1.283 nan 8.150 nan 0.000 0.489 1227 A N -0.051 122.428 122.820 -0.569 0.000 2.557 1227 A HA 0.793 5.112 4.320 -0.002 0.000 0.292 1227 A C 0.588 177.761 177.584 -0.685 0.000 1.139 1227 A CA -0.009 51.679 52.037 -0.583 0.000 0.665 1227 A CB 0.104 18.747 19.000 -0.595 0.000 1.285 1227 A HN 2.630 nan 8.150 nan 0.000 0.433 1228 G N -1.391 107.201 108.800 -0.345 0.000 2.179 1228 G HA2 -0.098 3.861 3.960 -0.002 0.000 0.220 1228 G HA3 -0.098 3.861 3.960 -0.002 0.000 0.220 1228 G C -0.131 174.796 174.900 0.045 0.000 0.990 1228 G CA 0.249 45.332 45.100 -0.028 0.000 0.646 1228 G HN 1.103 nan 8.290 nan 0.000 0.517 1229 I N 2.332 122.910 120.570 0.014 0.000 2.420 1229 I HA 0.479 4.647 4.170 -0.002 0.000 0.282 1229 I C 0.672 176.879 176.117 0.149 0.000 1.019 1229 I CA -0.025 61.306 61.300 0.052 0.000 1.130 1229 I CB 1.417 39.391 38.000 -0.043 0.000 1.262 1229 I HN 0.269 nan 8.210 nan 0.000 0.454 1230 T N 0.000 114.598 114.554 0.074 0.000 3.816 1230 T HA 0.000 4.349 4.350 -0.002 0.000 0.228 1230 T CA 0.000 62.103 62.100 0.006 0.000 1.349 1230 T CB 0.000 68.802 68.868 -0.110 0.000 0.612 1230 T HN 0.000 nan 8.240 nan 0.000 0.658