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 3bu3_1_A DATA FIRST_RESID 987 DATA SEQUENCE DEWEVSREKI TLLRELGQGS FGMVYEGNAR DIIKGEAETR VAVKTVNESA DATA SEQUENCE SLRERIEFLN EASVMKGFTC HHVVRLLGVV SKGQPTLVVM ELMAHGDLKS DATA SEQUENCE YLRSLRPEAE NNPGRPPPTL QEMIQMAAEI ADGMAYLNAK KFVHRDLAAR DATA SEQUENCE NCMVAHDFTV KIGDFGMTRD IXETDXXRKG GKGLLPVRWM APESLKDGVF DATA SEQUENCE TTSSDMWSFG VVLWEITSLA EQPYQGLSNE QVLKFVMDGG YLDQPDNCPE DATA SEQUENCE RVTDLMRMCW QFNPNMRPTF LEIVNLLKDD LHPSFPEVSF FHSEENK 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 987 D HA 0.000 nan 4.640 nan 0.000 0.175 987 D C 0.000 176.320 176.300 0.034 0.000 2.045 987 D CA 0.000 54.048 54.000 0.079 0.000 0.868 987 D CB 0.000 40.877 40.800 0.129 0.000 0.688 988 E N -0.571 119.616 120.200 -0.021 0.000 2.409 988 E HA 0.121 4.474 4.350 0.005 0.000 0.198 988 E C 1.308 177.725 176.600 -0.306 0.000 1.024 988 E CA 1.208 57.492 56.400 -0.193 0.000 0.861 988 E CB -0.621 28.897 29.700 -0.304 0.000 0.788 988 E HN 0.745 nan 8.360 nan 0.000 0.521 989 W N -0.085 121.197 121.300 -0.030 0.000 3.114 989 W HA 0.320 4.981 4.660 0.003 0.000 0.279 989 W C 0.802 177.305 176.519 -0.027 0.000 1.277 989 W CA -0.244 57.081 57.345 -0.034 0.000 1.630 989 W CB 0.767 30.198 29.460 -0.048 0.000 1.087 989 W HN 0.112 nan 8.180 nan 0.000 0.637 990 E N 1.012 121.303 120.200 0.152 0.000 2.384 990 E HA 0.205 4.558 4.350 0.005 0.000 0.266 990 E C -0.639 175.999 176.600 0.062 0.000 1.012 990 E CA 0.233 56.691 56.400 0.097 0.000 0.901 990 E CB 0.681 30.418 29.700 0.061 0.000 0.967 990 E HN -0.232 nan 8.360 nan 0.000 0.435 991 V N 3.847 123.797 119.914 0.061 0.000 2.604 991 V HA 0.263 4.386 4.120 0.005 0.000 0.305 991 V C -0.038 176.074 176.094 0.029 0.000 1.043 991 V CA -0.950 61.374 62.300 0.041 0.000 0.888 991 V CB 1.914 33.767 31.823 0.050 0.000 0.995 991 V HN 0.734 nan 8.190 nan 0.000 0.429 992 S N 3.251 118.961 115.700 0.017 0.000 2.525 992 S HA 0.084 4.557 4.470 0.005 0.000 0.285 992 S C 1.343 175.949 174.600 0.010 0.000 1.283 992 S CA -0.029 58.177 58.200 0.011 0.000 1.072 992 S CB 0.175 63.378 63.200 0.004 0.000 0.867 992 S HN 0.763 nan 8.310 nan 0.000 0.492 993 R N 2.803 123.308 120.500 0.009 0.000 2.127 993 R HA -0.166 4.177 4.340 0.005 0.000 0.238 993 R C 1.720 178.019 176.300 -0.003 0.000 1.134 993 R CA 2.214 58.316 56.100 0.004 0.000 0.975 993 R CB -0.210 30.091 30.300 0.001 0.000 0.865 993 R HN 0.875 nan 8.270 nan 0.000 0.447 994 E N 0.148 120.346 120.200 -0.003 0.000 2.409 994 E HA -0.147 4.206 4.350 0.005 0.000 0.198 994 E C 1.219 177.816 176.600 -0.006 0.000 1.024 994 E CA 1.135 57.531 56.400 -0.007 0.000 0.861 994 E CB -0.062 29.634 29.700 -0.006 0.000 0.788 994 E HN 0.304 nan 8.360 nan 0.000 0.521 995 K N 0.169 120.568 120.400 -0.002 0.000 2.366 995 K HA 0.070 4.393 4.320 0.005 0.000 0.198 995 K C -0.013 176.587 176.600 -0.001 0.000 1.044 995 K CA 0.221 56.507 56.287 -0.001 0.000 0.973 995 K CB 0.226 32.728 32.500 0.002 0.000 0.767 995 K HN 0.175 nan 8.250 nan 0.000 0.475 996 I N 1.651 122.219 120.570 -0.003 0.000 2.353 996 I HA 0.134 4.307 4.170 0.005 0.000 0.293 996 I C -0.098 176.008 176.117 -0.019 0.000 0.992 996 I CA -0.106 61.191 61.300 -0.005 0.000 1.268 996 I CB 1.346 39.345 38.000 -0.002 0.000 1.387 996 I HN -0.175 nan 8.210 nan 0.000 0.478 997 T N 6.734 121.277 114.554 -0.018 0.000 2.840 997 T HA 0.478 4.831 4.350 0.005 0.000 0.287 997 T C -0.221 174.460 174.700 -0.031 0.000 0.991 997 T CA -0.535 61.549 62.100 -0.027 0.000 0.964 997 T CB 1.527 70.385 68.868 -0.017 0.000 0.954 997 T HN 0.078 nan 8.240 nan 0.000 0.438 998 L N 3.974 125.157 121.223 -0.065 0.000 2.331 998 L HA 0.413 4.756 4.340 0.005 0.000 0.278 998 L C 0.964 177.825 176.870 -0.016 0.000 1.106 998 L CA 0.001 54.797 54.840 -0.072 0.000 0.824 998 L CB 0.476 42.386 42.059 -0.249 0.000 1.142 998 L HN 0.698 nan 8.230 nan 0.000 0.443 999 L N 3.266 124.512 121.223 0.038 0.000 2.349 999 L HA 0.304 4.647 4.340 0.005 0.000 0.200 999 L C 0.635 177.548 176.870 0.073 0.000 1.064 999 L CA 0.166 55.032 54.840 0.043 0.000 0.821 999 L CB 0.052 42.133 42.059 0.035 0.000 1.027 999 L HN 0.698 nan 8.230 nan 0.000 0.476 1000 R N -0.581 119.994 120.500 0.125 0.000 2.733 1000 R HA 0.397 4.740 4.340 0.005 0.000 0.272 1000 R C -1.297 175.121 176.300 0.197 0.000 1.029 1000 R CA -0.842 55.341 56.100 0.139 0.000 0.888 1000 R CB 1.146 31.489 30.300 0.072 0.000 1.251 1000 R HN -0.180 nan 8.270 nan 0.000 0.464 1001 E N 0.879 121.142 120.200 0.104 0.000 2.289 1001 E HA 0.141 4.494 4.350 0.005 0.000 0.278 1001 E C 0.230 176.786 176.600 -0.073 0.000 1.032 1001 E CA -0.199 56.152 56.400 -0.081 0.000 0.854 1001 E CB 1.410 31.037 29.700 -0.122 0.000 1.046 1001 E HN 0.404 nan 8.360 nan 0.000 0.409 1002 L N 1.901 123.052 121.223 -0.120 0.000 2.168 1002 L HA 0.229 4.572 4.340 0.005 0.000 0.203 1002 L C 1.001 177.823 176.870 -0.080 0.000 1.078 1002 L CA 0.575 55.376 54.840 -0.066 0.000 0.780 1002 L CB 0.216 42.250 42.059 -0.043 0.000 0.939 1002 L HN 0.730 nan 8.230 nan 0.000 0.451 1003 G N -0.965 107.755 108.800 -0.133 0.000 2.350 1003 G HA2 0.075 4.038 3.960 0.005 0.000 0.305 1003 G HA3 0.075 4.038 3.960 0.005 0.000 0.305 1003 G C -1.735 173.088 174.900 -0.128 0.000 1.479 1003 G CA -0.813 44.222 45.100 -0.109 0.000 0.949 1003 G HN -0.157 nan 8.290 nan 0.000 0.651 1004 Q N 0.028 119.766 119.800 -0.103 0.000 2.274 1004 Q HA 0.520 4.863 4.340 0.005 0.000 0.280 1004 Q C 0.895 176.841 176.000 -0.090 0.000 1.047 1004 Q CA 1.385 57.130 55.803 -0.097 0.000 0.907 1004 Q CB 0.732 29.425 28.738 -0.076 0.000 1.171 1004 Q HN 1.083 nan 8.270 nan 0.000 0.381 1005 G N 1.450 110.200 108.800 -0.085 0.000 2.583 1005 G HA2 0.254 4.217 3.960 0.005 0.000 0.280 1005 G HA3 0.254 4.217 3.960 0.005 0.000 0.280 1005 G C 0.417 175.211 174.900 -0.177 0.000 1.376 1005 G CA -0.134 44.911 45.100 -0.092 0.000 1.043 1005 G HN 0.689 nan 8.290 nan 0.000 0.538 1006 S N -0.877 114.623 115.700 -0.333 0.000 2.370 1006 S HA -0.074 4.400 4.470 0.005 0.000 0.226 1006 S C 1.392 175.566 174.600 -0.709 0.000 1.033 1006 S CA 1.529 59.308 58.200 -0.703 0.000 1.011 1006 S CB -0.293 62.128 63.200 -1.299 0.000 0.852 1006 S HN 0.457 nan 8.310 nan 0.000 0.457 1007 F N 0.245 120.234 119.950 0.065 0.000 2.746 1007 F HA 0.513 5.043 4.527 0.004 0.000 0.320 1007 F C 1.049 176.812 175.800 -0.062 0.000 1.097 1007 F CA -0.074 57.942 58.000 0.027 0.000 1.195 1007 F CB 1.034 40.098 39.000 0.107 0.000 1.056 1007 F HN 0.293 nan 8.300 nan 0.000 0.562 1008 G N 0.211 109.041 108.800 0.050 0.000 2.315 1008 G HA2 0.326 4.289 3.960 0.005 0.000 0.294 1008 G HA3 0.326 4.289 3.960 0.005 0.000 0.294 1008 G C -1.808 173.074 174.900 -0.030 0.000 1.300 1008 G CA -1.158 43.935 45.100 -0.012 0.000 0.843 1008 G HN -0.138 nan 8.290 nan 0.000 0.527 1009 M N 0.624 120.186 119.600 -0.064 0.000 2.245 1009 M HA 0.573 5.056 4.480 0.005 0.000 0.344 1009 M C -0.135 176.032 176.300 -0.221 0.000 1.170 1009 M CA -0.215 54.961 55.300 -0.206 0.000 1.135 1009 M CB 0.979 33.378 32.600 -0.335 0.000 1.574 1009 M HN 0.439 nan 8.290 nan 0.000 0.452 1010 V N 6.427 126.173 119.914 -0.279 0.000 2.483 1010 V HA 0.455 4.578 4.120 0.005 0.000 0.295 1010 V C -0.992 174.896 176.094 -0.344 0.000 1.035 1010 V CA -0.560 61.647 62.300 -0.156 0.000 0.896 1010 V CB 1.273 33.068 31.823 -0.046 0.000 0.986 1010 V HN 0.770 nan 8.190 nan 0.000 0.447 1011 Y N 1.298 121.618 120.300 0.033 0.000 2.509 1011 Y HA 0.498 5.050 4.550 0.004 0.000 0.341 1011 Y C 0.289 176.200 175.900 0.020 0.000 1.038 1011 Y CA -0.814 57.300 58.100 0.023 0.000 1.089 1011 Y CB 1.593 40.066 38.460 0.023 0.000 1.241 1011 Y HN 0.624 nan 8.280 nan 0.000 0.468 1012 E N 0.906 121.210 120.200 0.172 0.000 2.227 1012 E HA 0.600 4.953 4.350 0.005 0.000 0.282 1012 E C -0.510 176.155 176.600 0.108 0.000 1.015 1012 E CA -0.370 56.092 56.400 0.104 0.000 0.823 1012 E CB 0.861 30.595 29.700 0.058 0.000 1.081 1012 E HN 0.872 nan 8.360 nan 0.000 0.396 1013 G N 2.928 111.771 108.800 0.072 0.000 2.725 1013 G HA2 0.290 4.253 3.960 0.005 0.000 0.288 1013 G HA3 0.290 4.253 3.960 0.005 0.000 0.288 1013 G C -1.183 173.731 174.900 0.024 0.000 1.399 1013 G CA -0.723 44.404 45.100 0.045 0.000 0.859 1013 G HN 0.518 nan 8.290 nan 0.000 0.479 1014 N N -0.135 118.572 118.700 0.012 0.000 2.399 1014 N HA 0.665 5.408 4.740 0.005 0.000 0.295 1014 N C -0.609 174.904 175.510 0.005 0.000 1.048 1014 N CA -0.191 52.861 53.050 0.005 0.000 0.886 1014 N CB 1.997 40.483 38.487 -0.001 0.000 1.185 1014 N HN 0.747 nan 8.380 nan 0.000 0.487 1015 A N 2.494 125.318 122.820 0.006 0.000 2.319 1015 A HA 0.502 4.825 4.320 0.005 0.000 0.310 1015 A C -0.057 177.528 177.584 0.002 0.000 1.152 1015 A CA -0.699 51.343 52.037 0.008 0.000 0.783 1015 A CB 0.939 19.950 19.000 0.017 0.000 1.184 1015 A HN 0.552 nan 8.150 nan 0.000 0.474 1016 R N 2.271 122.771 120.500 0.000 0.000 2.340 1016 R HA 0.324 4.667 4.340 0.005 0.000 0.300 1016 R C -0.745 175.553 176.300 -0.004 0.000 1.069 1016 R CA -0.194 55.904 56.100 -0.003 0.000 0.984 1016 R CB 0.379 30.677 30.300 -0.005 0.000 1.003 1016 R HN 0.798 nan 8.270 nan 0.000 0.459 1017 D N 1.948 122.344 120.400 -0.007 0.000 2.800 1017 D HA -0.231 4.412 4.640 0.005 0.000 0.232 1017 D C 0.354 176.648 176.300 -0.010 0.000 1.137 1017 D CA 0.845 54.839 54.000 -0.010 0.000 0.718 1017 D CB -0.786 40.007 40.800 -0.011 0.000 1.084 1017 D HN 0.611 nan 8.370 nan 0.000 0.432 1018 I N -0.614 119.953 120.570 -0.005 0.000 3.265 1018 I HA 0.100 4.273 4.170 0.005 0.000 0.282 1018 I C 0.670 176.783 176.117 -0.007 0.000 1.207 1018 I CA 0.400 61.700 61.300 0.000 0.000 1.449 1018 I CB 0.572 38.582 38.000 0.017 0.000 1.121 1018 I HN -0.046 nan 8.210 nan 0.000 0.442 1019 I N 1.892 122.456 120.570 -0.009 0.000 2.389 1019 I HA 0.183 4.356 4.170 0.005 0.000 0.288 1019 I C -0.029 176.076 176.117 -0.019 0.000 0.999 1019 I CA -0.698 60.594 61.300 -0.014 0.000 1.129 1019 I CB 1.473 39.468 38.000 -0.008 0.000 1.288 1019 I HN -0.058 nan 8.210 nan 0.000 0.444 1020 K N 4.802 125.187 120.400 -0.025 0.000 2.511 1020 K HA 0.086 4.409 4.320 0.005 0.000 0.280 1020 K C 1.024 177.612 176.600 -0.019 0.000 1.008 1020 K CA 1.348 57.620 56.287 -0.025 0.000 1.050 1020 K CB 0.298 32.780 32.500 -0.029 0.000 0.889 1020 K HN 0.970 nan 8.250 nan 0.000 0.484 1021 G N 3.117 111.906 108.800 -0.017 0.000 2.195 1021 G HA2 -0.230 3.733 3.960 0.005 0.000 0.246 1021 G HA3 -0.230 3.733 3.960 0.005 0.000 0.246 1021 G C -0.414 174.478 174.900 -0.015 0.000 0.984 1021 G CA 0.154 45.246 45.100 -0.015 0.000 0.633 1021 G HN 0.651 nan 8.290 nan 0.000 0.525 1022 E N -0.258 119.932 120.200 -0.016 0.000 2.241 1022 E HA 0.625 4.978 4.350 0.005 0.000 0.263 1022 E C 0.982 177.573 176.600 -0.015 0.000 0.882 1022 E CA -0.158 56.233 56.400 -0.016 0.000 0.769 1022 E CB 1.570 31.259 29.700 -0.019 0.000 1.185 1022 E HN 0.376 nan 8.360 nan 0.000 0.415 1023 A N 3.525 126.337 122.820 -0.014 0.000 1.972 1023 A HA -0.120 4.204 4.320 0.005 0.000 0.219 1023 A C 0.795 178.373 177.584 -0.011 0.000 1.169 1023 A CA 1.345 53.375 52.037 -0.012 0.000 0.635 1023 A CB 0.125 19.118 19.000 -0.011 0.000 0.810 1023 A HN 0.610 nan 8.150 nan 0.000 0.446 1024 E N -1.710 118.483 120.200 -0.012 0.000 2.321 1024 E HA 0.469 4.823 4.350 0.005 0.000 0.281 1024 E C -1.651 174.940 176.600 -0.014 0.000 0.910 1024 E CA -0.424 55.969 56.400 -0.011 0.000 0.770 1024 E CB 1.644 31.338 29.700 -0.010 0.000 1.225 1024 E HN 0.087 nan 8.360 nan 0.000 0.417 1025 T N 2.696 117.243 114.554 -0.012 0.000 2.886 1025 T HA 0.395 4.748 4.350 0.005 0.000 0.292 1025 T C -0.685 174.008 174.700 -0.011 0.000 1.012 1025 T CA -0.735 61.356 62.100 -0.016 0.000 0.982 1025 T CB 1.283 70.144 68.868 -0.012 0.000 1.018 1025 T HN 0.367 nan 8.240 nan 0.000 0.451 1026 R N 2.363 122.852 120.500 -0.019 0.000 2.389 1026 R HA 0.525 4.868 4.340 0.005 0.000 0.295 1026 R C -0.331 175.966 176.300 -0.005 0.000 1.075 1026 R CA -0.145 55.948 56.100 -0.012 0.000 1.005 1026 R CB -0.061 30.224 30.300 -0.024 0.000 0.987 1026 R HN 0.583 nan 8.270 nan 0.000 0.452 1027 V N 0.531 120.453 119.914 0.013 0.000 3.160 1027 V HA 0.932 5.055 4.120 0.005 0.000 0.310 1027 V C -0.718 175.401 176.094 0.042 0.000 1.181 1027 V CA -1.123 61.192 62.300 0.026 0.000 1.047 1027 V CB 1.918 33.761 31.823 0.034 0.000 1.068 1027 V HN 0.818 nan 8.190 nan 0.000 0.441 1028 A N 1.113 123.963 122.820 0.049 0.000 2.312 1028 A HA 0.864 5.187 4.320 0.005 0.000 0.326 1028 A C -0.613 177.028 177.584 0.094 0.000 1.172 1028 A CA -0.652 51.426 52.037 0.068 0.000 0.821 1028 A CB 1.342 20.373 19.000 0.052 0.000 1.166 1028 A HN 1.447 nan 8.150 nan 0.000 0.493 1029 V N 3.492 123.492 119.914 0.142 0.000 2.443 1029 V HA 0.291 4.414 4.120 0.005 0.000 0.293 1029 V C -0.193 176.045 176.094 0.240 0.000 1.021 1029 V CA -0.664 61.740 62.300 0.174 0.000 0.848 1029 V CB 1.415 33.338 31.823 0.166 0.000 0.998 1029 V HN 0.917 nan 8.190 nan 0.000 0.424 1030 K N 2.967 123.507 120.400 0.233 0.000 2.172 1030 K HA 0.732 5.055 4.320 0.005 0.000 0.276 1030 K C 0.106 176.971 176.600 0.441 0.000 1.013 1030 K CA -0.401 56.073 56.287 0.313 0.000 0.913 1030 K CB 1.906 34.596 32.500 0.317 0.000 1.055 1030 K HN 0.855 nan 8.250 nan 0.000 0.461 1031 T N -2.279 112.467 114.554 0.319 0.000 2.901 1031 T HA 0.500 4.853 4.350 0.005 0.000 0.293 1031 T C -0.370 174.116 174.700 -0.356 0.000 1.084 1031 T CA -0.909 61.233 62.100 0.069 0.000 1.008 1031 T CB 1.216 70.178 68.868 0.157 0.000 1.170 1031 T HN 0.162 nan 8.240 nan 0.000 0.509 1032 V N 2.116 121.614 119.914 -0.694 0.000 2.481 1032 V HA 0.436 4.559 4.120 0.005 0.000 0.286 1032 V C 0.646 176.599 176.094 -0.234 0.000 1.042 1032 V CA -1.286 60.644 62.300 -0.617 0.000 0.928 1032 V CB 0.984 32.380 31.823 -0.711 0.000 0.986 1032 V HN 0.905 nan 8.190 nan 0.000 0.462 1033 N N 3.078 121.705 118.700 -0.123 0.000 2.412 1033 N HA 0.059 4.802 4.740 0.005 0.000 0.254 1033 N C 1.470 176.946 175.510 -0.055 0.000 1.232 1033 N CA 0.842 53.859 53.050 -0.054 0.000 0.880 1033 N CB 1.305 39.780 38.487 -0.019 0.000 1.076 1033 N HN 0.947 nan 8.380 nan 0.000 0.458 1034 E N 1.107 121.288 120.200 -0.033 0.000 2.171 1034 E HA -0.183 4.171 4.350 0.005 0.000 0.197 1034 E C 1.442 178.027 176.600 -0.024 0.000 0.997 1034 E CA 1.903 58.286 56.400 -0.028 0.000 0.810 1034 E CB -0.464 29.228 29.700 -0.014 0.000 0.738 1034 E HN 0.666 nan 8.360 nan 0.000 0.467 1035 S N -1.139 114.551 115.700 -0.017 0.000 2.575 1035 S HA 0.667 5.140 4.470 0.005 0.000 0.237 1035 S C 1.024 175.621 174.600 -0.006 0.000 0.975 1035 S CA 0.258 58.452 58.200 -0.009 0.000 0.960 1035 S CB 0.068 63.267 63.200 -0.003 0.000 0.822 1035 S HN 0.898 nan 8.310 nan 0.000 0.472 1036 A N 2.650 125.463 122.820 -0.013 0.000 2.565 1036 A HA 0.472 4.795 4.320 0.005 0.000 0.237 1036 A C 0.910 178.492 177.584 -0.004 0.000 1.053 1036 A CA 0.137 52.173 52.037 -0.001 0.000 0.755 1036 A CB -0.236 18.749 19.000 -0.025 0.000 0.980 1036 A HN 0.945 nan 8.150 nan 0.000 0.506 1037 S N 2.158 117.865 115.700 0.011 0.000 2.580 1037 S HA 0.148 4.621 4.470 0.005 0.000 0.266 1037 S C 1.118 175.710 174.600 -0.013 0.000 1.354 1037 S CA 0.108 58.310 58.200 0.004 0.000 1.008 1037 S CB 0.359 63.570 63.200 0.018 0.000 0.898 1037 S HN 1.308 nan 8.310 nan 0.000 0.555 1038 L N 1.292 122.506 121.223 -0.015 0.000 2.042 1038 L HA -0.072 4.272 4.340 0.005 0.000 0.210 1038 L C 2.745 179.592 176.870 -0.038 0.000 1.076 1038 L CA 2.128 56.953 54.840 -0.025 0.000 0.749 1038 L CB -1.035 41.013 42.059 -0.018 0.000 0.893 1038 L HN 0.942 nan 8.230 nan 0.000 0.432 1039 R N -0.449 120.035 120.500 -0.027 0.000 2.083 1039 R HA -0.191 4.152 4.340 0.005 0.000 0.237 1039 R C 2.174 178.423 176.300 -0.086 0.000 1.137 1039 R CA 1.989 58.067 56.100 -0.037 0.000 0.951 1039 R CB -0.238 30.060 30.300 -0.004 0.000 0.851 1039 R HN 0.556 nan 8.270 nan 0.000 0.434 1040 E N -0.265 119.899 120.200 -0.059 0.000 2.110 1040 E HA -0.180 4.173 4.350 0.005 0.000 0.193 1040 E C 2.198 178.629 176.600 -0.281 0.000 0.988 1040 E CA 1.149 57.472 56.400 -0.128 0.000 0.804 1040 E CB 0.003 29.762 29.700 0.098 0.000 0.745 1040 E HN 0.372 nan 8.360 nan 0.000 0.458 1041 R N 0.463 120.879 120.500 -0.139 0.000 2.081 1041 R HA -0.102 4.241 4.340 0.005 0.000 0.235 1041 R C 2.412 178.655 176.300 -0.095 0.000 1.131 1041 R CA 1.085 57.122 56.100 -0.105 0.000 0.960 1041 R CB -0.390 29.871 30.300 -0.064 0.000 0.856 1041 R HN 0.207 nan 8.270 nan 0.000 0.436 1042 I N 1.080 121.579 120.570 -0.118 0.000 2.179 1042 I HA -0.250 3.923 4.170 0.005 0.000 0.242 1042 I C 2.164 178.172 176.117 -0.182 0.000 1.088 1042 I CA 1.479 62.713 61.300 -0.111 0.000 1.357 1042 I CB -0.246 37.703 38.000 -0.085 0.000 1.051 1042 I HN 0.214 nan 8.210 nan 0.000 0.409 1043 E N 0.256 120.267 120.200 -0.315 0.000 2.110 1043 E HA -0.255 4.098 4.350 0.005 0.000 0.193 1043 E C 2.045 178.304 176.600 -0.569 0.000 0.988 1043 E CA 1.298 57.433 56.400 -0.442 0.000 0.804 1043 E CB -0.176 29.203 29.700 -0.534 0.000 0.745 1043 E HN 0.429 nan 8.360 nan 0.000 0.458 1044 F N 1.356 120.764 119.950 -0.903 0.000 2.102 1044 F HA -0.186 4.345 4.527 0.008 0.000 0.298 1044 F C 1.846 177.529 175.800 -0.196 0.000 1.105 1044 F CA 1.328 59.042 58.000 -0.476 0.000 1.239 1044 F CB -0.078 38.743 39.000 -0.300 0.000 0.991 1044 F HN -0.088 nan 8.300 nan 0.000 0.474 1045 L N 0.090 121.231 121.223 -0.136 0.000 2.093 1045 L HA -0.216 4.127 4.340 0.005 0.000 0.208 1045 L C 2.186 178.917 176.870 -0.230 0.000 1.085 1045 L CA 1.078 55.804 54.840 -0.189 0.000 0.755 1045 L CB -0.883 41.143 42.059 -0.054 0.000 0.904 1045 L HN 0.147 nan 8.230 nan 0.000 0.435 1046 N N 0.094 118.681 118.700 -0.189 0.000 2.166 1046 N HA -0.225 4.518 4.740 0.005 0.000 0.186 1046 N C 1.746 177.142 175.510 -0.191 0.000 1.019 1046 N CA 1.251 54.203 53.050 -0.162 0.000 0.856 1046 N CB -0.110 38.309 38.487 -0.113 0.000 0.993 1046 N HN 0.415 nan 8.380 nan 0.000 0.426 1047 E N 0.558 120.645 120.200 -0.187 0.000 2.077 1047 E HA -0.096 4.258 4.350 0.005 0.000 0.193 1047 E C 1.823 178.254 176.600 -0.282 0.000 0.989 1047 E CA 1.113 57.421 56.400 -0.154 0.000 0.800 1047 E CB -0.068 29.627 29.700 -0.007 0.000 0.746 1047 E HN 0.299 nan 8.360 nan 0.000 0.452 1048 A N 0.591 123.183 122.820 -0.380 0.000 1.883 1048 A HA -0.223 4.100 4.320 0.005 0.000 0.217 1048 A C 2.386 179.689 177.584 -0.468 0.000 1.186 1048 A CA 1.993 53.770 52.037 -0.433 0.000 0.624 1048 A CB -1.040 17.677 19.000 -0.472 0.000 0.822 1048 A HN 0.366 nan 8.150 nan 0.000 0.444 1049 S N -0.726 114.738 115.700 -0.393 0.000 2.359 1049 S HA -0.143 4.330 4.470 0.005 0.000 0.224 1049 S C 1.922 176.238 174.600 -0.473 0.000 1.035 1049 S CA 1.661 59.632 58.200 -0.383 0.000 1.018 1049 S CB -0.559 62.491 63.200 -0.251 0.000 0.876 1049 S HN 0.311 nan 8.310 nan 0.000 0.448 1050 V N 2.132 121.754 119.914 -0.486 0.000 2.324 1050 V HA -0.227 3.896 4.120 0.005 0.000 0.250 1050 V C 2.428 177.781 176.094 -1.235 0.000 1.060 1050 V CA 2.314 64.175 62.300 -0.733 0.000 1.042 1050 V CB -0.609 30.857 31.823 -0.595 0.000 0.650 1050 V HN 0.565 nan 8.190 nan 0.000 0.450 1051 M N -1.050 117.956 119.600 -0.990 0.000 2.374 1051 M HA -0.152 4.331 4.480 0.005 0.000 0.264 1051 M C 2.082 177.861 176.300 -0.868 0.000 1.067 1051 M CA 1.392 56.089 55.300 -1.005 0.000 1.103 1051 M CB -0.418 31.842 32.600 -0.566 0.000 1.402 1051 M HN 0.250 nan 8.290 nan 0.000 0.444 1052 K N 0.096 119.978 120.400 -0.862 0.000 2.209 1052 K HA -0.085 4.238 4.320 0.005 0.000 0.204 1052 K C 1.887 178.311 176.600 -0.295 0.000 1.048 1052 K CA 1.167 56.971 56.287 -0.804 0.000 0.940 1052 K CB -0.282 31.720 32.500 -0.830 0.000 0.729 1052 K HN 0.446 nan 8.250 nan 0.000 0.451 1053 G N 0.211 108.727 108.800 -0.473 0.000 2.880 1053 G HA2 -0.007 3.957 3.960 0.005 0.000 0.209 1053 G HA3 -0.007 3.957 3.960 0.005 0.000 0.209 1053 G C -0.035 174.919 174.900 0.089 0.000 1.157 1053 G CA -0.156 44.833 45.100 -0.186 0.000 0.779 1053 G HN -0.016 nan 8.290 nan 0.000 0.539 1054 F N 0.928 120.859 119.950 -0.033 0.000 2.420 1054 F HA 0.572 5.097 4.527 -0.002 0.000 0.342 1054 F C 0.092 175.924 175.800 0.054 0.000 1.113 1054 F CA -1.572 56.472 58.000 0.074 0.000 1.059 1054 F CB 1.790 40.744 39.000 -0.077 0.000 1.128 1054 F HN -0.309 nan 8.300 nan 0.000 0.475 1055 T N 2.208 116.903 114.554 0.235 0.000 3.089 1055 T HA 0.418 4.771 4.350 0.005 0.000 0.340 1055 T C -1.334 173.146 174.700 -0.367 0.000 1.008 1055 T CA -0.478 61.624 62.100 0.004 0.000 1.096 1055 T CB 0.828 69.750 68.868 0.091 0.000 1.024 1055 T HN 0.770 nan 8.240 nan 0.000 0.477 1056 C N 2.916 121.963 119.300 -0.422 0.000 2.811 1056 C HA 0.467 4.930 4.460 0.005 0.000 0.352 1056 C C 1.478 176.315 174.990 -0.255 0.000 1.098 1056 C CA -0.491 58.206 59.018 -0.535 0.000 1.295 1056 C CB 0.634 27.753 27.740 -1.036 0.000 1.758 1056 C HN 1.122 nan 8.230 nan 0.000 0.488 1057 H N 1.554 120.424 119.070 -0.333 0.000 2.457 1057 H HA -0.057 4.489 4.556 -0.016 0.000 0.297 1057 H C 1.111 176.201 175.328 -0.397 0.000 1.092 1057 H CA 2.407 58.225 56.048 -0.384 0.000 1.309 1057 H CB 0.040 29.479 29.762 -0.540 0.000 1.382 1057 H HN 0.859 nan 8.280 nan 0.000 0.535 1058 H N -1.406 117.644 119.070 -0.033 0.000 2.507 1058 H HA 0.354 4.923 4.556 0.023 0.000 0.294 1058 H C -0.689 174.622 175.328 -0.029 0.000 1.064 1058 H CA -0.242 55.792 56.048 -0.024 0.000 1.138 1058 H CB 0.663 30.467 29.762 0.070 0.000 1.515 1058 H HN 0.001 nan 8.280 nan 0.000 0.547 1059 V N 1.430 121.344 119.914 0.002 0.000 2.638 1059 V HA 0.119 4.242 4.120 0.005 0.000 0.306 1059 V C 0.037 176.172 176.094 0.068 0.000 1.052 1059 V CA -1.124 61.224 62.300 0.080 0.000 0.885 1059 V CB 2.427 34.269 31.823 0.031 0.000 0.999 1059 V HN 0.001 nan 8.190 nan 0.000 0.424 1060 V N 4.886 124.887 119.914 0.145 0.000 2.617 1060 V HA 0.084 4.207 4.120 0.005 0.000 0.304 1060 V C 0.781 176.936 176.094 0.101 0.000 1.040 1060 V CA 0.212 62.574 62.300 0.103 0.000 1.149 1060 V CB 0.313 32.213 31.823 0.127 0.000 0.914 1060 V HN 0.840 nan 8.190 nan 0.000 0.487 1061 R N 3.744 124.276 120.500 0.053 0.000 2.340 1061 R HA 0.393 4.736 4.340 0.005 0.000 0.300 1061 R C -0.519 175.816 176.300 0.057 0.000 1.069 1061 R CA -0.823 55.312 56.100 0.059 0.000 0.984 1061 R CB 0.779 31.111 30.300 0.053 0.000 1.003 1061 R HN 0.616 nan 8.270 nan 0.000 0.459 1062 L N 5.598 126.839 121.223 0.029 0.000 2.367 1062 L HA 0.140 4.484 4.340 0.005 0.000 0.275 1062 L C 0.095 177.089 176.870 0.206 0.000 1.129 1062 L CA 0.519 55.351 54.840 -0.013 0.000 0.839 1062 L CB 0.948 42.819 42.059 -0.313 0.000 1.133 1062 L HN 0.814 nan 8.230 nan 0.000 0.453 1063 L N 4.465 125.800 121.223 0.186 0.000 2.470 1063 L HA 0.522 4.865 4.340 0.005 0.000 0.219 1063 L C 0.925 177.978 176.870 0.305 0.000 1.071 1063 L CA 0.382 55.361 54.840 0.232 0.000 0.850 1063 L CB -0.047 42.081 42.059 0.116 0.000 1.040 1063 L HN 0.829 nan 8.230 nan 0.000 0.475 1064 G N -0.707 108.258 108.800 0.274 0.000 2.368 1064 G HA2 0.449 4.412 3.960 0.005 0.000 0.293 1064 G HA3 0.449 4.412 3.960 0.005 0.000 0.293 1064 G C -2.054 172.933 174.900 0.145 0.000 1.467 1064 G CA -0.466 44.804 45.100 0.283 0.000 0.804 1064 G HN -0.302 nan 8.290 nan 0.000 0.535 1065 V N -0.165 119.832 119.914 0.139 0.000 2.709 1065 V HA 0.592 4.715 4.120 0.005 0.000 0.308 1065 V C -0.202 175.936 176.094 0.074 0.000 1.062 1065 V CA -0.782 61.558 62.300 0.067 0.000 0.901 1065 V CB 1.940 33.771 31.823 0.014 0.000 1.003 1065 V HN 0.756 nan 8.190 nan 0.000 0.425 1066 V N 3.839 123.791 119.914 0.063 0.000 2.334 1066 V HA 0.313 4.437 4.120 0.005 0.000 0.267 1066 V C 0.902 177.028 176.094 0.054 0.000 1.040 1066 V CA 0.380 62.713 62.300 0.054 0.000 0.866 1066 V CB 0.986 32.836 31.823 0.045 0.000 1.019 1066 V HN 1.074 nan 8.190 nan 0.000 0.468 1067 S N 1.998 117.725 115.700 0.046 0.000 2.603 1067 S HA 0.275 4.748 4.470 0.005 0.000 0.232 1067 S C 0.746 175.364 174.600 0.031 0.000 1.016 1067 S CA 0.124 58.349 58.200 0.041 0.000 0.976 1067 S CB 0.097 63.318 63.200 0.035 0.000 0.921 1067 S HN 0.756 nan 8.310 nan 0.000 0.516 1068 K N 1.417 121.833 120.400 0.027 0.000 2.248 1068 K HA 0.711 5.034 4.320 0.005 0.000 0.281 1068 K C 0.961 177.570 176.600 0.015 0.000 1.054 1068 K CA -0.151 56.147 56.287 0.018 0.000 0.903 1068 K CB -0.413 32.097 32.500 0.016 0.000 1.077 1068 K HN 1.406 nan 8.250 nan 0.000 0.474 1069 G N 0.769 109.576 108.800 0.011 0.000 2.593 1069 G HA2 0.061 4.025 3.960 0.005 0.000 0.237 1069 G HA3 0.061 4.025 3.960 0.005 0.000 0.237 1069 G C -0.301 174.605 174.900 0.009 0.000 1.312 1069 G CA 0.628 45.732 45.100 0.007 0.000 0.896 1069 G HN 2.060 nan 8.290 nan 0.000 0.574 1070 Q N -0.540 119.262 119.800 0.004 0.000 2.418 1070 Q HA 0.784 5.127 4.340 0.005 0.000 0.282 1070 Q C -2.706 173.292 176.000 -0.004 0.000 1.044 1070 Q CA -1.139 54.666 55.803 0.003 0.000 0.813 1070 Q CB 1.805 30.542 28.738 -0.000 0.000 1.428 1070 Q HN 0.772 nan 8.270 nan 0.000 0.402 1071 P HA 0.338 nan 4.420 nan 0.000 0.281 1071 P C -0.762 176.557 177.300 0.033 0.000 1.264 1071 P CA -0.459 62.642 63.100 0.002 0.000 0.824 1071 P CB 0.901 32.591 31.700 -0.017 0.000 1.092 1072 T N 1.337 115.929 114.554 0.064 0.000 2.853 1072 T HA 0.248 4.602 4.350 0.005 0.000 0.298 1072 T C 0.250 175.064 174.700 0.190 0.000 0.978 1072 T CA 0.105 62.286 62.100 0.135 0.000 1.152 1072 T CB -0.348 68.653 68.868 0.222 0.000 0.914 1072 T HN 0.173 nan 8.240 nan 0.000 0.539 1073 L N 3.727 125.042 121.223 0.153 0.000 2.313 1073 L HA 0.558 4.902 4.340 0.005 0.000 0.283 1073 L C -0.369 176.589 176.870 0.147 0.000 1.013 1073 L CA -1.122 53.816 54.840 0.163 0.000 0.816 1073 L CB 1.663 43.777 42.059 0.091 0.000 1.236 1073 L HN 0.315 nan 8.230 nan 0.000 0.419 1074 V N 4.414 124.433 119.914 0.175 0.000 2.328 1074 V HA 0.294 4.417 4.120 0.005 0.000 0.278 1074 V C 0.072 176.203 176.094 0.063 0.000 1.021 1074 V CA -0.572 61.757 62.300 0.048 0.000 0.838 1074 V CB 1.803 33.569 31.823 -0.094 0.000 0.999 1074 V HN 0.435 nan 8.190 nan 0.000 0.447 1075 V N 7.237 127.180 119.914 0.048 0.000 2.370 1075 V HA 0.557 4.681 4.120 0.005 0.000 0.279 1075 V C 0.172 176.297 176.094 0.052 0.000 1.029 1075 V CA -0.301 62.036 62.300 0.063 0.000 0.870 1075 V CB 1.174 33.038 31.823 0.069 0.000 0.984 1075 V HN 0.905 nan 8.190 nan 0.000 0.451 1076 M N 1.680 121.311 119.600 0.052 0.000 2.690 1076 M HA 0.651 5.134 4.480 0.005 0.000 0.302 1076 M C -0.196 176.131 176.300 0.044 0.000 1.234 1076 M CA -0.835 54.492 55.300 0.046 0.000 0.853 1076 M CB 1.888 34.512 32.600 0.041 0.000 1.748 1076 M HN 0.544 nan 8.290 nan 0.000 0.469 1077 E N 1.671 121.896 120.200 0.041 0.000 2.694 1077 E HA 0.040 4.393 4.350 0.005 0.000 0.250 1077 E C -1.403 175.209 176.600 0.021 0.000 0.963 1077 E CA -0.251 56.165 56.400 0.027 0.000 0.949 1077 E CB 0.602 30.315 29.700 0.022 0.000 0.911 1077 E HN 0.551 nan 8.360 nan 0.000 0.500 1078 L N 5.884 127.113 121.223 0.010 0.000 2.360 1078 L HA 0.164 4.508 4.340 0.005 0.000 0.276 1078 L C -0.521 176.345 176.870 -0.008 0.000 1.121 1078 L CA 0.171 55.012 54.840 0.002 0.000 0.845 1078 L CB 1.000 43.054 42.059 -0.008 0.000 1.143 1078 L HN 0.603 nan 8.230 nan 0.000 0.452 1079 M N 5.673 125.267 119.600 -0.010 0.000 2.055 1079 M HA 0.276 4.759 4.480 0.005 0.000 0.347 1079 M C 1.118 177.389 176.300 -0.048 0.000 1.123 1079 M CA -0.225 55.062 55.300 -0.020 0.000 1.035 1079 M CB 0.619 33.212 32.600 -0.012 0.000 1.484 1079 M HN 0.823 nan 8.290 nan 0.000 0.428 1080 A N 2.565 125.329 122.820 -0.092 0.000 2.024 1080 A HA -0.146 4.177 4.320 0.005 0.000 0.220 1080 A C 1.412 178.802 177.584 -0.324 0.000 1.164 1080 A CA 1.542 53.452 52.037 -0.211 0.000 0.643 1080 A CB -0.458 18.381 19.000 -0.267 0.000 0.806 1080 A HN 0.800 nan 8.150 nan 0.000 0.451 1081 H N -1.138 117.890 119.070 -0.070 0.000 2.542 1081 H HA 0.346 4.904 4.556 0.004 0.000 0.283 1081 H C 1.434 176.779 175.328 0.028 0.000 1.059 1081 H CA 0.483 56.520 56.048 -0.017 0.000 1.162 1081 H CB -0.207 29.489 29.762 -0.109 0.000 1.539 1081 H HN 0.641 nan 8.280 nan 0.000 0.543 1082 G N 1.978 110.821 108.800 0.072 0.000 2.598 1082 G HA2 -0.249 3.714 3.960 0.005 0.000 0.244 1082 G HA3 -0.249 3.714 3.960 0.005 0.000 0.244 1082 G C -0.161 174.775 174.900 0.060 0.000 1.302 1082 G CA -0.091 45.049 45.100 0.066 0.000 0.903 1082 G HN 0.478 nan 8.290 nan 0.000 0.575 1083 D N -0.058 120.380 120.400 0.063 0.000 2.313 1083 D HA 0.320 4.964 4.640 0.005 0.000 0.247 1083 D C 1.602 177.962 176.300 0.101 0.000 1.094 1083 D CA -0.239 53.791 54.000 0.050 0.000 0.925 1083 D CB 1.713 42.527 40.800 0.023 0.000 1.188 1083 D HN 0.574 nan 8.370 nan 0.000 0.430 1084 L N 1.801 123.074 121.223 0.083 0.000 2.141 1084 L HA -0.095 4.248 4.340 0.005 0.000 0.209 1084 L C 2.444 179.418 176.870 0.174 0.000 1.094 1084 L CA 1.608 56.531 54.840 0.139 0.000 0.763 1084 L CB -0.762 41.351 42.059 0.090 0.000 0.908 1084 L HN 0.590 nan 8.230 nan 0.000 0.437 1085 K N -1.102 119.370 120.400 0.121 0.000 2.026 1085 K HA -0.139 4.184 4.320 0.005 0.000 0.208 1085 K C 2.063 178.732 176.600 0.115 0.000 1.048 1085 K CA 1.659 58.018 56.287 0.121 0.000 0.929 1085 K CB -0.115 32.444 32.500 0.099 0.000 0.713 1085 K HN 0.349 nan 8.250 nan 0.000 0.439 1086 S N 0.018 115.785 115.700 0.112 0.000 2.368 1086 S HA -0.179 4.294 4.470 0.005 0.000 0.225 1086 S C 1.629 176.307 174.600 0.128 0.000 1.030 1086 S CA 1.340 59.603 58.200 0.104 0.000 0.999 1086 S CB -0.526 62.733 63.200 0.098 0.000 0.844 1086 S HN 0.426 nan 8.310 nan 0.000 0.459 1087 Y N 2.308 122.643 120.300 0.057 0.000 2.097 1087 Y HA -0.135 4.421 4.550 0.010 0.000 0.282 1087 Y C 1.936 177.857 175.900 0.036 0.000 1.152 1087 Y CA 1.385 59.522 58.100 0.063 0.000 1.136 1087 Y CB -0.552 37.956 38.460 0.080 0.000 0.975 1087 Y HN 0.129 nan 8.280 nan 0.000 0.498 1088 L N -0.171 121.091 121.223 0.066 0.000 2.042 1088 L HA -0.252 4.091 4.340 0.005 0.000 0.210 1088 L C 2.606 179.423 176.870 -0.090 0.000 1.076 1088 L CA 1.644 56.458 54.840 -0.043 0.000 0.749 1088 L CB -0.520 41.569 42.059 0.050 0.000 0.893 1088 L HN 0.151 nan 8.230 nan 0.000 0.432 1089 R N -0.303 120.179 120.500 -0.031 0.000 2.115 1089 R HA -0.123 4.220 4.340 0.005 0.000 0.230 1089 R C 2.546 178.808 176.300 -0.064 0.000 1.111 1089 R CA 1.494 57.576 56.100 -0.030 0.000 0.976 1089 R CB -0.359 29.948 30.300 0.012 0.000 0.870 1089 R HN 0.463 nan 8.270 nan 0.000 0.445 1090 S N 0.486 116.129 115.700 -0.094 0.000 2.481 1090 S HA -0.017 4.457 4.470 0.005 0.000 0.231 1090 S C 1.741 176.245 174.600 -0.159 0.000 0.996 1090 S CA 0.683 58.818 58.200 -0.107 0.000 0.942 1090 S CB -0.081 63.064 63.200 -0.092 0.000 0.768 1090 S HN 0.254 nan 8.310 nan 0.000 0.520 1091 L N 0.420 121.509 121.223 -0.222 0.000 2.592 1091 L HA 0.269 4.612 4.340 0.005 0.000 0.227 1091 L C 0.981 177.766 176.870 -0.140 0.000 1.127 1091 L CA -0.214 54.493 54.840 -0.221 0.000 0.884 1091 L CB -0.137 41.735 42.059 -0.312 0.000 1.065 1091 L HN 0.124 nan 8.230 nan 0.000 0.457 1092 R N 0.853 121.288 120.500 -0.109 0.000 2.570 1092 R HA 0.012 4.355 4.340 0.005 0.000 0.277 1092 R C -1.354 174.905 176.300 -0.070 0.000 1.039 1092 R CA -1.296 54.755 56.100 -0.082 0.000 1.065 1092 R CB 0.169 30.431 30.300 -0.063 0.000 0.964 1092 R HN -0.150 nan 8.270 nan 0.000 0.428 1093 P HA -0.204 nan 4.420 nan 0.000 0.216 1093 P C 0.929 178.205 177.300 -0.040 0.000 1.150 1093 P CA 1.757 64.826 63.100 -0.051 0.000 0.843 1093 P CB 0.236 31.908 31.700 -0.046 0.000 0.787 1094 E N -0.967 119.211 120.200 -0.037 0.000 2.479 1094 E HA 0.398 4.751 4.350 0.005 0.000 0.193 1094 E C 0.976 177.561 176.600 -0.024 0.000 1.049 1094 E CA 0.254 56.637 56.400 -0.027 0.000 0.870 1094 E CB -0.847 28.839 29.700 -0.023 0.000 0.944 1094 E HN 0.336 nan 8.360 nan 0.000 0.492 1095 A N 0.481 123.282 122.820 -0.031 0.000 2.520 1095 A HA 0.478 4.801 4.320 0.005 0.000 0.245 1095 A C 1.642 179.215 177.584 -0.019 0.000 1.072 1095 A CA 0.627 52.648 52.037 -0.027 0.000 0.761 1095 A CB -0.178 18.799 19.000 -0.039 0.000 1.004 1095 A HN 0.661 nan 8.150 nan 0.000 0.499 1096 E N 2.510 122.704 120.200 -0.010 0.000 2.160 1096 E HA -0.237 4.116 4.350 0.005 0.000 0.195 1096 E C 1.064 177.664 176.600 -0.001 0.000 0.991 1096 E CA 1.600 57.998 56.400 -0.004 0.000 0.810 1096 E CB -0.751 28.950 29.700 0.001 0.000 0.742 1096 E HN 0.933 nan 8.360 nan 0.000 0.466 1097 N N 0.514 119.213 118.700 -0.002 0.000 2.295 1097 N HA -0.032 4.711 4.740 0.005 0.000 0.221 1097 N C -0.028 175.479 175.510 -0.005 0.000 1.129 1097 N CA -0.242 52.811 53.050 0.005 0.000 0.836 1097 N CB -0.489 38.008 38.487 0.016 0.000 1.040 1097 N HN 0.254 nan 8.380 nan 0.000 0.494 1098 N N 2.900 121.588 118.700 -0.021 0.000 2.374 1098 N HA -0.034 4.709 4.740 0.005 0.000 0.269 1098 N C -1.376 174.123 175.510 -0.018 0.000 1.310 1098 N CA -0.544 52.483 53.050 -0.038 0.000 0.877 1098 N CB 0.968 39.430 38.487 -0.042 0.000 1.096 1098 N HN 0.196 nan 8.380 nan 0.000 0.484 1099 P HA 0.095 nan 4.420 nan 0.000 0.242 1099 P C 0.436 177.750 177.300 0.022 0.000 1.197 1099 P CA 0.468 63.584 63.100 0.027 0.000 0.765 1099 P CB 0.011 31.747 31.700 0.061 0.000 0.936 1100 G N 0.209 109.005 108.800 -0.007 0.000 2.137 1100 G HA2 -0.227 3.736 3.960 0.005 0.000 0.237 1100 G HA3 -0.227 3.736 3.960 0.005 0.000 0.237 1100 G C -0.059 174.830 174.900 -0.019 0.000 1.002 1100 G CA -0.475 44.621 45.100 -0.007 0.000 0.702 1100 G HN 0.403 nan 8.290 nan 0.000 0.515 1101 R N 0.299 120.772 120.500 -0.044 0.000 2.740 1101 R HA 0.579 4.922 4.340 0.005 0.000 0.282 1101 R C -2.347 173.896 176.300 -0.096 0.000 0.969 1101 R CA -1.863 54.195 56.100 -0.071 0.000 0.918 1101 R CB 2.037 32.281 30.300 -0.093 0.000 1.175 1101 R HN 0.132 nan 8.270 nan 0.000 0.464 1102 P HA 0.145 nan 4.420 nan 0.000 0.272 1102 P C -2.472 174.757 177.300 -0.119 0.000 1.230 1102 P CA -1.151 61.893 63.100 -0.094 0.000 0.788 1102 P CB -0.156 31.496 31.700 -0.079 0.000 0.949 1103 P HA 0.202 nan 4.420 nan 0.000 0.271 1103 P C -2.346 174.895 177.300 -0.099 0.000 1.244 1103 P CA -0.974 62.056 63.100 -0.116 0.000 0.793 1103 P CB -1.394 30.246 31.700 -0.100 0.000 0.984 1104 P HA 0.071 nan 4.420 nan 0.000 0.271 1104 P C -0.048 177.215 177.300 -0.062 0.000 1.216 1104 P CA 0.030 63.095 63.100 -0.060 0.000 0.776 1104 P CB -0.038 31.646 31.700 -0.027 0.000 0.881 1105 T N -0.097 114.422 114.554 -0.059 0.000 2.788 1105 T HA 0.156 4.509 4.350 0.005 0.000 0.280 1105 T C 1.296 175.968 174.700 -0.047 0.000 0.984 1105 T CA -0.738 61.330 62.100 -0.052 0.000 0.972 1105 T CB 0.309 69.149 68.868 -0.047 0.000 1.039 1105 T HN 0.236 nan 8.240 nan 0.000 0.530 1106 L N 0.096 121.291 121.223 -0.046 0.000 2.042 1106 L HA -0.154 4.189 4.340 0.005 0.000 0.210 1106 L C 3.027 179.871 176.870 -0.042 0.000 1.076 1106 L CA 1.643 56.455 54.840 -0.046 0.000 0.749 1106 L CB -0.468 41.564 42.059 -0.044 0.000 0.893 1106 L HN 0.780 nan 8.230 nan 0.000 0.432 1107 Q N 0.175 119.953 119.800 -0.037 0.000 2.084 1107 Q HA -0.257 4.086 4.340 0.005 0.000 0.202 1107 Q C 1.945 177.929 176.000 -0.027 0.000 0.978 1107 Q CA 1.888 57.672 55.803 -0.031 0.000 0.844 1107 Q CB -0.013 28.711 28.738 -0.023 0.000 0.898 1107 Q HN 0.627 nan 8.270 nan 0.000 0.426 1108 E N -0.493 119.690 120.200 -0.027 0.000 2.106 1108 E HA -0.120 4.233 4.350 0.005 0.000 0.192 1108 E C 2.135 178.726 176.600 -0.015 0.000 0.984 1108 E CA 0.925 57.313 56.400 -0.020 0.000 0.806 1108 E CB -0.052 29.628 29.700 -0.035 0.000 0.750 1108 E HN 0.350 nan 8.360 nan 0.000 0.458 1109 M N 0.317 119.902 119.600 -0.025 0.000 2.117 1109 M HA -0.152 4.331 4.480 0.005 0.000 0.262 1109 M C 2.138 178.420 176.300 -0.029 0.000 1.065 1109 M CA 1.006 56.289 55.300 -0.028 0.000 1.114 1109 M CB -0.130 32.443 32.600 -0.045 0.000 1.361 1109 M HN 0.132 nan 8.290 nan 0.000 0.408 1110 I N 0.238 120.785 120.570 -0.038 0.000 2.226 1110 I HA -0.256 3.917 4.170 0.005 0.000 0.245 1110 I C 2.474 178.556 176.117 -0.059 0.000 1.100 1110 I CA 1.593 62.864 61.300 -0.048 0.000 1.374 1110 I CB -1.235 36.728 38.000 -0.062 0.000 1.057 1110 I HN 0.352 nan 8.210 nan 0.000 0.413 1111 Q N 0.970 120.741 119.800 -0.048 0.000 2.061 1111 Q HA -0.181 4.162 4.340 0.005 0.000 0.204 1111 Q C 2.302 178.296 176.000 -0.009 0.000 0.984 1111 Q CA 1.869 57.646 55.803 -0.043 0.000 0.846 1111 Q CB -0.217 28.525 28.738 0.007 0.000 0.902 1111 Q HN 0.399 nan 8.270 nan 0.000 0.421 1112 M N -0.698 118.910 119.600 0.013 0.000 2.080 1112 M HA -0.191 4.292 4.480 0.005 0.000 0.260 1112 M C 2.189 178.527 176.300 0.063 0.000 1.068 1112 M CA 1.638 56.960 55.300 0.036 0.000 1.109 1112 M CB -0.482 32.137 32.600 0.033 0.000 1.342 1112 M HN 0.371 nan 8.290 nan 0.000 0.405 1113 A N 0.363 123.220 122.820 0.063 0.000 1.883 1113 A HA -0.119 4.205 4.320 0.005 0.000 0.217 1113 A C 2.350 180.069 177.584 0.225 0.000 1.186 1113 A CA 2.117 54.265 52.037 0.185 0.000 0.624 1113 A CB -1.008 18.076 19.000 0.139 0.000 0.822 1113 A HN 0.527 nan 8.150 nan 0.000 0.444 1114 A N -0.386 122.456 122.820 0.037 0.000 1.898 1114 A HA -0.144 4.179 4.320 0.005 0.000 0.216 1114 A C 1.913 179.510 177.584 0.023 0.000 1.181 1114 A CA 1.643 53.639 52.037 -0.067 0.000 0.620 1114 A CB -0.503 18.269 19.000 -0.379 0.000 0.819 1114 A HN 0.645 nan 8.150 nan 0.000 0.442 1115 E N -0.205 119.987 120.200 -0.014 0.000 2.051 1115 E HA -0.156 4.197 4.350 0.005 0.000 0.192 1115 E C 1.882 178.429 176.600 -0.089 0.000 0.991 1115 E CA 1.351 57.612 56.400 -0.231 0.000 0.799 1115 E CB -0.317 29.303 29.700 -0.135 0.000 0.748 1115 E HN 0.689 nan 8.360 nan 0.000 0.449 1116 I N 1.195 121.813 120.570 0.080 0.000 2.163 1116 I HA -0.291 3.883 4.170 0.005 0.000 0.243 1116 I C 2.546 178.728 176.117 0.108 0.000 1.085 1116 I CA 1.112 62.504 61.300 0.155 0.000 1.347 1116 I CB -0.335 37.849 38.000 0.307 0.000 1.044 1116 I HN 0.094 nan 8.210 nan 0.000 0.408 1117 A N 0.118 123.021 122.820 0.138 0.000 1.972 1117 A HA -0.293 4.030 4.320 0.005 0.000 0.219 1117 A C 1.960 179.575 177.584 0.052 0.000 1.169 1117 A CA 2.302 54.328 52.037 -0.018 0.000 0.635 1117 A CB -0.702 18.239 19.000 -0.098 0.000 0.810 1117 A HN 0.476 nan 8.150 nan 0.000 0.446 1118 D N -0.788 119.692 120.400 0.133 0.000 2.117 1118 D HA -0.019 4.624 4.640 0.005 0.000 0.198 1118 D C 2.021 178.460 176.300 0.232 0.000 0.982 1118 D CA 1.596 55.762 54.000 0.277 0.000 0.828 1118 D CB -0.409 40.598 40.800 0.345 0.000 0.967 1118 D HN 0.283 nan 8.370 nan 0.000 0.464 1119 G N 0.194 109.078 108.800 0.141 0.000 2.440 1119 G HA2 -0.241 3.722 3.960 0.005 0.000 0.218 1119 G HA3 -0.241 3.722 3.960 0.005 0.000 0.218 1119 G C 1.527 176.394 174.900 -0.056 0.000 1.154 1119 G CA 0.865 46.018 45.100 0.089 0.000 0.767 1119 G HN 0.180 nan 8.290 nan 0.000 0.552 1120 M N 1.140 120.585 119.600 -0.257 0.000 2.175 1120 M HA 0.080 4.563 4.480 0.005 0.000 0.264 1120 M C 3.012 179.041 176.300 -0.453 0.000 1.063 1120 M CA 1.154 56.084 55.300 -0.616 0.000 1.119 1120 M CB -1.262 30.382 32.600 -1.594 0.000 1.377 1120 M HN 0.322 nan 8.290 nan 0.000 0.415 1121 A N -0.671 122.051 122.820 -0.163 0.000 1.908 1121 A HA -0.231 4.092 4.320 0.005 0.000 0.218 1121 A C 2.160 179.675 177.584 -0.116 0.000 1.181 1121 A CA 1.546 53.660 52.037 0.128 0.000 0.627 1121 A CB -1.166 18.102 19.000 0.447 0.000 0.818 1121 A HN 0.512 nan 8.150 nan 0.000 0.445 1122 Y N -0.094 119.904 120.300 -0.504 0.000 2.114 1122 Y HA -0.177 4.385 4.550 0.020 0.000 0.284 1122 Y C 2.045 177.598 175.900 -0.578 0.000 1.143 1122 Y CA 1.964 59.448 58.100 -1.027 0.000 1.135 1122 Y CB -0.435 37.576 38.460 -0.749 0.000 0.980 1122 Y HN 0.238 nan 8.280 nan 0.000 0.499 1123 L N 1.270 122.260 121.223 -0.390 0.000 2.042 1123 L HA -0.262 4.081 4.340 0.005 0.000 0.210 1123 L C 2.284 179.038 176.870 -0.192 0.000 1.076 1123 L CA 2.368 56.980 54.840 -0.380 0.000 0.749 1123 L CB -1.211 40.742 42.059 -0.177 0.000 0.893 1123 L HN 0.482 nan 8.230 nan 0.000 0.432 1124 N N -0.683 117.939 118.700 -0.129 0.000 2.120 1124 N HA -0.208 4.535 4.740 0.005 0.000 0.188 1124 N C 1.782 177.260 175.510 -0.055 0.000 1.024 1124 N CA 1.237 54.282 53.050 -0.008 0.000 0.852 1124 N CB -0.005 38.545 38.487 0.106 0.000 1.003 1124 N HN 0.488 nan 8.380 nan 0.000 0.424 1125 A N 1.225 123.953 122.820 -0.154 0.000 1.972 1125 A HA -0.067 4.256 4.320 0.005 0.000 0.219 1125 A C 2.003 179.481 177.584 -0.176 0.000 1.169 1125 A CA 1.003 52.966 52.037 -0.125 0.000 0.635 1125 A CB -0.165 18.768 19.000 -0.112 0.000 0.810 1125 A HN 0.203 nan 8.150 nan 0.000 0.446 1126 K N -0.605 119.619 120.400 -0.293 0.000 2.487 1126 K HA 0.005 4.328 4.320 0.005 0.000 0.192 1126 K C -0.293 176.302 176.600 -0.008 0.000 1.027 1126 K CA 0.184 56.394 56.287 -0.128 0.000 1.054 1126 K CB 0.164 32.574 32.500 -0.150 0.000 0.824 1126 K HN 0.295 nan 8.250 nan 0.000 0.510 1127 K N -0.017 120.339 120.400 -0.072 0.000 3.181 1127 K HA -0.152 4.171 4.320 0.005 0.000 0.269 1127 K C -0.857 175.515 176.600 -0.380 0.000 1.097 1127 K CA 0.713 56.898 56.287 -0.169 0.000 0.783 1127 K CB -2.164 30.216 32.500 -0.199 0.000 1.267 1127 K HN 0.064 nan 8.250 nan 0.000 0.484 1128 F N -1.065 118.885 119.950 -0.000 0.000 2.546 1128 F HA 0.506 5.037 4.527 0.007 0.000 0.320 1128 F C 0.525 176.368 175.800 0.071 0.000 1.076 1128 F CA -1.063 56.968 58.000 0.052 0.000 0.928 1128 F CB 1.830 40.893 39.000 0.105 0.000 1.189 1128 F HN -0.153 nan 8.300 nan 0.000 0.465 1129 V N 3.633 123.712 119.914 0.275 0.000 2.483 1129 V HA 0.240 4.363 4.120 0.005 0.000 0.295 1129 V C 0.535 176.791 176.094 0.269 0.000 1.035 1129 V CA -0.144 62.310 62.300 0.257 0.000 0.896 1129 V CB 1.233 33.192 31.823 0.226 0.000 0.986 1129 V HN 0.930 nan 8.190 nan 0.000 0.447 1130 H N 5.828 125.017 119.070 0.197 0.000 2.343 1130 H HA 0.059 4.617 4.556 0.004 0.000 0.303 1130 H C 1.553 176.943 175.328 0.104 0.000 1.068 1130 H CA 1.981 58.126 56.048 0.162 0.000 1.359 1130 H CB 0.381 30.205 29.762 0.104 0.000 1.402 1130 H HN 0.843 nan 8.280 nan 0.000 0.515 1131 R N -0.832 119.850 120.500 0.304 0.000 3.884 1131 R HA -0.179 4.164 4.340 0.005 0.000 0.464 1131 R C -0.313 176.136 176.300 0.249 0.000 0.963 1131 R CA 1.326 57.543 56.100 0.195 0.000 1.408 1131 R CB -1.452 28.730 30.300 -0.196 0.000 2.054 1131 R HN 0.317 nan 8.270 nan 0.000 0.522 1132 D N 0.201 120.853 120.400 0.420 0.000 2.865 1132 D HA 0.145 4.788 4.640 0.005 0.000 0.347 1132 D C -0.960 175.462 176.300 0.204 0.000 1.498 1132 D CA -0.439 53.720 54.000 0.265 0.000 0.787 1132 D CB 0.354 41.212 40.800 0.097 0.000 1.190 1132 D HN 0.035 nan 8.370 nan 0.000 0.445 1133 L N 1.657 122.968 121.223 0.147 0.000 2.462 1133 L HA 0.578 4.921 4.340 0.005 0.000 0.272 1133 L C -0.434 176.443 176.870 0.012 0.000 1.166 1133 L CA 0.361 55.136 54.840 -0.107 0.000 0.880 1133 L CB 0.321 42.390 42.059 0.016 0.000 1.142 1133 L HN 0.201 nan 8.230 nan 0.000 0.473 1134 A N 3.865 126.624 122.820 -0.100 0.000 2.583 1134 A HA 0.654 4.978 4.320 0.005 0.000 0.292 1134 A C 0.440 177.990 177.584 -0.057 0.000 1.045 1134 A CA -0.174 51.761 52.037 -0.171 0.000 0.672 1134 A CB 0.142 18.641 19.000 -0.835 0.000 1.283 1134 A HN 1.108 nan 8.150 nan 0.000 0.419 1135 A N 0.904 123.775 122.820 0.085 0.000 1.940 1135 A HA -0.171 4.152 4.320 0.005 0.000 0.219 1135 A C 1.943 179.532 177.584 0.008 0.000 1.176 1135 A CA 2.153 54.239 52.037 0.082 0.000 0.631 1135 A CB -0.648 18.453 19.000 0.167 0.000 0.814 1135 A HN 1.194 nan 8.150 nan 0.000 0.446 1136 R N -0.940 119.525 120.500 -0.057 0.000 2.241 1136 R HA -0.031 4.312 4.340 0.005 0.000 0.224 1136 R C 0.462 176.707 176.300 -0.092 0.000 1.101 1136 R CA 1.551 57.606 56.100 -0.074 0.000 0.995 1136 R CB -0.415 29.808 30.300 -0.128 0.000 0.870 1136 R HN 0.364 nan 8.270 nan 0.000 0.463 1137 N N -0.052 118.575 118.700 -0.121 0.000 2.203 1137 N HA 0.111 4.854 4.740 0.005 0.000 0.207 1137 N C -0.697 174.739 175.510 -0.124 0.000 1.130 1137 N CA -0.067 52.907 53.050 -0.127 0.000 0.861 1137 N CB 0.568 38.976 38.487 -0.132 0.000 1.005 1137 N HN 0.142 nan 8.380 nan 0.000 0.507 1138 C N 1.345 120.600 119.300 -0.075 0.000 2.366 1138 C HA 0.592 5.055 4.460 0.005 0.000 0.345 1138 C C 0.202 175.180 174.990 -0.019 0.000 1.209 1138 C CA -0.768 58.224 59.018 -0.043 0.000 2.050 1138 C CB 0.908 28.642 27.740 -0.010 0.000 2.359 1138 C HN 0.183 nan 8.230 nan 0.000 0.527 1139 M N 2.124 121.716 119.600 -0.014 0.000 2.602 1139 M HA 0.554 5.037 4.480 0.005 0.000 0.312 1139 M C -0.875 175.406 176.300 -0.031 0.000 1.181 1139 M CA -0.598 54.695 55.300 -0.012 0.000 0.910 1139 M CB 1.640 34.236 32.600 -0.006 0.000 1.723 1139 M HN 0.320 nan 8.290 nan 0.000 0.459 1140 V N 1.465 121.347 119.914 -0.054 0.000 2.409 1140 V HA 0.707 4.831 4.120 0.005 0.000 0.291 1140 V C 0.378 176.419 176.094 -0.089 0.000 1.020 1140 V CA -0.984 61.244 62.300 -0.120 0.000 0.848 1140 V CB 1.162 32.801 31.823 -0.306 0.000 0.990 1140 V HN 1.020 nan 8.190 nan 0.000 0.430 1141 A N 2.765 125.516 122.820 -0.116 0.000 2.280 1141 A HA 0.423 4.746 4.320 0.005 0.000 0.268 1141 A C 1.319 178.784 177.584 -0.200 0.000 1.111 1141 A CA 0.575 52.542 52.037 -0.117 0.000 0.814 1141 A CB -0.076 18.843 19.000 -0.135 0.000 1.093 1141 A HN 1.243 nan 8.150 nan 0.000 0.498 1142 H N -0.746 118.201 119.070 -0.205 0.000 2.390 1142 H HA -0.171 4.383 4.556 -0.003 0.000 0.298 1142 H C 0.801 175.893 175.328 -0.392 0.000 1.106 1142 H CA 1.831 57.718 56.048 -0.267 0.000 1.297 1142 H CB -0.164 29.491 29.762 -0.177 0.000 1.375 1142 H HN 0.613 nan 8.280 nan 0.000 0.509 1143 D N -0.826 119.005 120.400 -0.949 0.000 2.325 1143 D HA -0.079 4.564 4.640 0.005 0.000 0.225 1143 D C 0.059 176.240 176.300 -0.200 0.000 1.096 1143 D CA -0.396 53.282 54.000 -0.537 0.000 0.844 1143 D CB -0.663 39.831 40.800 -0.511 0.000 0.925 1143 D HN 0.559 nan 8.370 nan 0.000 0.513 1144 F N -1.130 118.728 119.950 -0.153 0.000 2.699 1144 F HA -0.240 4.291 4.527 0.008 0.000 0.343 1144 F C 0.437 176.154 175.800 -0.139 0.000 0.633 1144 F CA 0.691 58.583 58.000 -0.180 0.000 1.365 1144 F CB -2.727 36.173 39.000 -0.168 0.000 1.795 1144 F HN -0.121 nan 8.300 nan 0.000 0.304 1145 T N 2.132 116.678 114.554 -0.013 0.000 2.908 1145 T HA 0.372 4.726 4.350 0.005 0.000 0.301 1145 T C 0.579 175.290 174.700 0.019 0.000 1.019 1145 T CA -0.068 62.058 62.100 0.043 0.000 1.152 1145 T CB 1.023 69.915 68.868 0.039 0.000 0.966 1145 T HN 0.077 nan 8.240 nan 0.000 0.540 1146 V N 5.163 125.116 119.914 0.065 0.000 2.567 1146 V HA 0.454 4.577 4.120 0.005 0.000 0.289 1146 V C 0.288 176.435 176.094 0.088 0.000 1.049 1146 V CA -0.479 61.846 62.300 0.042 0.000 0.969 1146 V CB 1.332 33.177 31.823 0.036 0.000 0.995 1146 V HN 0.767 nan 8.190 nan 0.000 0.471 1147 K N 3.921 124.352 120.400 0.052 0.000 2.469 1147 K HA 0.577 4.900 4.320 0.005 0.000 0.254 1147 K C -1.380 175.247 176.600 0.044 0.000 0.939 1147 K CA -0.954 55.376 56.287 0.070 0.000 0.812 1147 K CB 2.467 34.984 32.500 0.029 0.000 1.301 1147 K HN 0.345 nan 8.250 nan 0.000 0.433 1148 I N 2.163 122.770 120.570 0.062 0.000 2.556 1148 I HA 0.176 4.349 4.170 0.005 0.000 0.284 1148 I C 0.914 177.044 176.117 0.022 0.000 1.114 1148 I CA 0.392 61.689 61.300 -0.004 0.000 1.418 1148 I CB 0.079 38.096 38.000 0.029 0.000 1.394 1148 I HN 0.793 nan 8.210 nan 0.000 0.552 1149 G N 3.651 112.362 108.800 -0.149 0.000 3.140 1149 G HA2 0.351 4.314 3.960 0.005 0.000 0.271 1149 G HA3 0.351 4.314 3.960 0.005 0.000 0.271 1149 G C -0.662 173.944 174.900 -0.489 0.000 1.370 1149 G CA -0.424 44.592 45.100 -0.140 0.000 1.014 1149 G HN 0.689 nan 8.290 nan 0.000 0.541 1150 D N -1.288 118.953 120.400 -0.265 0.000 3.845 1150 D HA -0.173 4.470 4.640 0.005 0.000 0.227 1150 D C -0.560 175.473 176.300 -0.444 0.000 1.092 1150 D CA 0.493 54.355 54.000 -0.229 0.000 1.148 1150 D CB -0.588 40.120 40.800 -0.154 0.000 0.803 1150 D HN 0.224 nan 8.370 nan 0.000 0.395 1151 F N 0.847 120.773 119.950 -0.040 0.000 2.750 1151 F HA 0.314 4.843 4.527 0.005 0.000 0.297 1151 F C 2.173 177.897 175.800 -0.126 0.000 1.138 1151 F CA 0.067 57.976 58.000 -0.152 0.000 1.346 1151 F CB 0.730 39.688 39.000 -0.069 0.000 0.965 1151 F HN 0.358 nan 8.300 nan 0.000 0.514 1152 G N 0.003 108.804 108.800 0.003 0.000 2.470 1152 G HA2 -0.197 3.766 3.960 0.005 0.000 0.220 1152 G HA3 -0.197 3.766 3.960 0.005 0.000 0.220 1152 G C 1.367 176.313 174.900 0.076 0.000 1.121 1152 G CA 0.608 45.774 45.100 0.110 0.000 0.766 1152 G HN 0.363 nan 8.290 nan 0.000 0.553 1153 M N 0.585 120.150 119.600 -0.059 0.000 2.346 1153 M HA 0.152 4.635 4.480 0.005 0.000 0.280 1153 M C 0.088 176.329 176.300 -0.099 0.000 1.075 1153 M CA -0.038 55.213 55.300 -0.082 0.000 0.989 1153 M CB 1.035 33.566 32.600 -0.114 0.000 1.447 1153 M HN -0.127 nan 8.290 nan 0.000 0.511 1154 T N 2.643 117.157 114.554 -0.066 0.000 2.919 1154 T HA 0.294 4.647 4.350 0.005 0.000 0.302 1154 T C 0.205 174.986 174.700 0.136 0.000 1.031 1154 T CA 0.065 62.188 62.100 0.037 0.000 1.127 1154 T CB 0.568 69.523 68.868 0.145 0.000 0.952 1154 T HN 0.161 nan 8.240 nan 0.000 0.540 1155 R N 2.012 122.638 120.500 0.211 0.000 2.673 1155 R HA 0.309 4.652 4.340 0.005 0.000 0.281 1155 R C -0.990 175.433 176.300 0.206 0.000 0.991 1155 R CA -0.997 55.216 56.100 0.188 0.000 0.896 1155 R CB 1.550 31.880 30.300 0.050 0.000 1.201 1155 R HN 0.620 nan 8.270 nan 0.000 0.457 1156 D N 2.793 123.220 120.400 0.045 0.000 2.425 1156 D HA 0.194 4.837 4.640 0.005 0.000 0.247 1156 D C 0.231 176.398 176.300 -0.222 0.000 1.147 1156 D CA 0.098 53.866 54.000 -0.387 0.000 0.879 1156 D CB 0.502 41.124 40.800 -0.297 0.000 1.179 1156 D HN 0.462 nan 8.370 nan 0.000 0.456 1160 T N -2.396 112.144 114.554 -0.023 0.000 2.986 1160 T HA 0.382 4.735 4.350 0.005 0.000 0.264 1160 T C 0.332 175.033 174.700 0.002 0.000 0.964 1160 T CA 0.970 63.066 62.100 -0.007 0.000 0.895 1160 T CB 0.637 69.505 68.868 0.001 0.000 1.163 1160 T HN 0.398 nan 8.240 nan 0.000 0.517 1165 K N 2.962 123.497 120.400 0.224 0.000 2.790 1165 K HA 0.302 4.625 4.320 0.005 0.000 0.253 1165 K C -0.581 176.116 176.600 0.162 0.000 1.082 1165 K CA -0.361 56.024 56.287 0.163 0.000 1.067 1165 K CB 1.334 33.913 32.500 0.131 0.000 1.284 1165 K HN 0.768 nan 8.250 nan 0.000 0.529 1166 G N 1.094 109.951 108.800 0.095 0.000 2.599 1166 G HA2 0.627 4.590 3.960 0.005 0.000 0.264 1166 G HA3 0.627 4.590 3.960 0.005 0.000 0.264 1166 G C 0.211 175.147 174.900 0.059 0.000 1.200 1166 G CA 0.324 45.464 45.100 0.066 0.000 0.896 1166 G HN 0.857 nan 8.290 nan 0.000 0.536 1167 G N -1.979 106.848 108.800 0.046 0.000 2.498 1167 G HA2 0.467 4.430 3.960 0.005 0.000 0.651 1167 G HA3 0.467 4.430 3.960 0.005 0.000 0.651 1167 G C -0.107 174.820 174.900 0.044 0.000 1.284 1167 G CA 0.268 45.392 45.100 0.039 0.000 0.950 1167 G HN 1.517 nan 8.290 nan 0.000 0.511 1168 K N -0.596 119.827 120.400 0.038 0.000 2.270 1168 K HA 0.853 5.176 4.320 0.005 0.000 0.276 1168 K C 0.782 177.410 176.600 0.047 0.000 1.023 1168 K CA 0.955 57.265 56.287 0.039 0.000 0.955 1168 K CB 1.297 33.815 32.500 0.030 0.000 0.975 1168 K HN 2.503 nan 8.250 nan 0.000 0.471 1169 G N -0.110 108.722 108.800 0.053 0.000 2.646 1169 G HA2 0.487 4.451 3.960 0.005 0.000 0.291 1169 G HA3 0.487 4.451 3.960 0.005 0.000 0.291 1169 G C -1.455 173.479 174.900 0.057 0.000 1.445 1169 G CA -0.772 44.362 45.100 0.057 0.000 0.814 1169 G HN 0.647 nan 8.290 nan 0.000 0.495 1170 L N 1.452 122.707 121.223 0.053 0.000 2.312 1170 L HA 0.560 4.903 4.340 0.005 0.000 0.287 1170 L C -0.777 176.128 176.870 0.059 0.000 1.091 1170 L CA -0.327 54.543 54.840 0.051 0.000 0.846 1170 L CB -0.020 42.063 42.059 0.040 0.000 1.219 1170 L HN 0.292 nan 8.230 nan 0.000 0.439 1171 L N 6.244 127.514 121.223 0.078 0.000 2.354 1171 L HA 0.520 4.863 4.340 0.005 0.000 0.264 1171 L C -1.947 175.003 176.870 0.134 0.000 1.008 1171 L CA -1.545 53.359 54.840 0.107 0.000 0.819 1171 L CB 2.487 44.626 42.059 0.133 0.000 1.339 1171 L HN 0.420 nan 8.230 nan 0.000 0.420 1172 P HA 0.020 nan 4.420 nan 0.000 0.230 1172 P C 0.816 178.341 177.300 0.376 0.000 1.791 1172 P CA 0.030 63.279 63.100 0.248 0.000 1.020 1172 P CB 0.648 32.447 31.700 0.165 0.000 1.977 1173 V N 3.378 123.453 119.914 0.267 0.000 2.324 1173 V HA -0.288 3.835 4.120 0.005 0.000 0.250 1173 V C 2.214 178.418 176.094 0.184 0.000 1.060 1173 V CA 1.877 64.283 62.300 0.177 0.000 1.042 1173 V CB -0.471 31.404 31.823 0.086 0.000 0.650 1173 V HN 0.294 nan 8.190 nan 0.000 0.450 1174 R N -1.281 119.383 120.500 0.274 0.000 2.328 1174 R HA -0.067 4.276 4.340 0.005 0.000 0.207 1174 R C 1.706 178.002 176.300 -0.006 0.000 1.056 1174 R CA 1.347 57.497 56.100 0.084 0.000 1.016 1174 R CB -0.162 30.073 30.300 -0.110 0.000 0.872 1174 R HN 0.643 nan 8.270 nan 0.000 0.471 1175 W N -0.286 121.162 121.300 0.246 0.000 3.008 1175 W HA 0.296 4.959 4.660 0.006 0.000 0.355 1175 W C 0.047 176.796 176.519 0.384 0.000 1.095 1175 W CA -0.485 57.056 57.345 0.326 0.000 1.738 1175 W CB 0.345 29.962 29.460 0.262 0.000 1.091 1175 W HN -0.002 nan 8.180 nan 0.000 0.574 1176 M N 0.488 120.304 119.600 0.360 0.000 2.277 1176 M HA 0.430 4.913 4.480 0.005 0.000 0.350 1176 M C 0.551 176.593 176.300 -0.430 0.000 1.180 1176 M CA -0.261 55.101 55.300 0.103 0.000 1.103 1176 M CB 1.443 34.087 32.600 0.074 0.000 1.577 1176 M HN -0.266 nan 8.290 nan 0.000 0.459 1177 A N 4.085 126.520 122.820 -0.641 0.000 2.386 1177 A HA 0.374 4.697 4.320 0.005 0.000 0.248 1177 A C -1.673 175.343 177.584 -0.946 0.000 1.082 1177 A CA -1.315 49.965 52.037 -1.262 0.000 0.789 1177 A CB -0.377 18.260 19.000 -0.605 0.000 1.025 1177 A HN 0.646 nan 8.150 nan 0.000 0.490 1178 P HA -0.234 nan 4.420 nan 0.000 0.216 1178 P C 1.115 178.096 177.300 -0.532 0.000 1.153 1178 P CA 1.781 64.459 63.100 -0.704 0.000 0.858 1178 P CB 0.037 31.267 31.700 -0.782 0.000 0.789 1179 E N 0.079 119.944 120.200 -0.558 0.000 2.208 1179 E HA -0.074 4.279 4.350 0.005 0.000 0.193 1179 E C 1.735 178.109 176.600 -0.376 0.000 0.988 1179 E CA 1.036 57.198 56.400 -0.396 0.000 0.828 1179 E CB -1.026 28.468 29.700 -0.343 0.000 0.763 1179 E HN 0.144 nan 8.360 nan 0.000 0.478 1180 S N 1.400 116.813 115.700 -0.478 0.000 2.355 1180 S HA -0.016 4.457 4.470 0.005 0.000 0.222 1180 S C 2.158 176.502 174.600 -0.426 0.000 1.031 1180 S CA 1.060 58.879 58.200 -0.634 0.000 0.993 1180 S CB -0.294 62.419 63.200 -0.813 0.000 0.859 1180 S HN 0.220 nan 8.310 nan 0.000 0.453 1181 L N 1.209 122.235 121.223 -0.329 0.000 2.046 1181 L HA -0.113 4.230 4.340 0.005 0.000 0.208 1181 L C 2.593 179.367 176.870 -0.160 0.000 1.077 1181 L CA 1.327 56.043 54.840 -0.206 0.000 0.747 1181 L CB -0.396 41.540 42.059 -0.205 0.000 0.896 1181 L HN 0.260 nan 8.230 nan 0.000 0.432 1182 K N -0.418 119.873 120.400 -0.182 0.000 2.067 1182 K HA -0.103 4.220 4.320 0.005 0.000 0.203 1182 K C 0.944 177.484 176.600 -0.101 0.000 1.048 1182 K CA 1.343 57.559 56.287 -0.119 0.000 0.954 1182 K CB 0.275 32.711 32.500 -0.107 0.000 0.737 1182 K HN 0.231 nan 8.250 nan 0.000 0.444 1183 D N -1.351 118.967 120.400 -0.135 0.000 2.441 1183 D HA 0.124 4.767 4.640 0.005 0.000 0.210 1183 D C 0.667 176.909 176.300 -0.097 0.000 1.102 1183 D CA 0.712 54.652 54.000 -0.101 0.000 0.840 1183 D CB 1.150 41.890 40.800 -0.101 0.000 0.990 1183 D HN 0.457 nan 8.370 nan 0.000 0.505 1184 G N 1.493 110.204 108.800 -0.149 0.000 2.153 1184 G HA2 -0.255 3.708 3.960 0.005 0.000 0.252 1184 G HA3 -0.255 3.708 3.960 0.005 0.000 0.252 1184 G C 0.279 175.103 174.900 -0.127 0.000 0.994 1184 G CA 0.531 45.573 45.100 -0.096 0.000 0.698 1184 G HN 0.381 nan 8.290 nan 0.000 0.521 1185 V N 0.154 119.900 119.914 -0.280 0.000 2.481 1185 V HA 0.838 4.961 4.120 0.005 0.000 0.286 1185 V C -0.513 175.342 176.094 -0.400 0.000 1.042 1185 V CA -0.981 61.215 62.300 -0.174 0.000 0.928 1185 V CB 0.958 32.720 31.823 -0.102 0.000 0.986 1185 V HN 0.270 nan 8.190 nan 0.000 0.462 1186 F N 4.477 124.443 119.950 0.026 0.000 2.529 1186 F HA 0.761 5.291 4.527 0.005 0.000 0.320 1186 F C 0.410 176.250 175.800 0.067 0.000 1.118 1186 F CA -0.268 57.765 58.000 0.055 0.000 0.915 1186 F CB 2.335 41.381 39.000 0.076 0.000 1.161 1186 F HN 0.686 nan 8.300 nan 0.000 0.445 1187 T N -2.577 112.119 114.554 0.238 0.000 2.754 1187 T HA 0.222 4.575 4.350 0.005 0.000 0.296 1187 T C 0.583 175.417 174.700 0.223 0.000 1.205 1187 T CA -0.299 61.910 62.100 0.182 0.000 1.009 1187 T CB 1.462 70.394 68.868 0.106 0.000 1.368 1187 T HN 0.457 nan 8.240 nan 0.000 0.509 1188 T N 0.349 115.026 114.554 0.206 0.000 2.833 1188 T HA -0.082 4.271 4.350 0.005 0.000 0.269 1188 T C 1.865 176.710 174.700 0.241 0.000 1.054 1188 T CA 2.260 64.528 62.100 0.280 0.000 1.135 1188 T CB -1.063 67.963 68.868 0.263 0.000 0.869 1188 T HN 0.636 nan 8.240 nan 0.000 0.466 1189 S N 1.253 117.041 115.700 0.146 0.000 2.399 1189 S HA -0.105 4.368 4.470 0.005 0.000 0.231 1189 S C 2.403 177.108 174.600 0.174 0.000 1.022 1189 S CA 1.388 59.651 58.200 0.105 0.000 0.983 1189 S CB -0.421 62.816 63.200 0.063 0.000 0.803 1189 S HN 0.816 nan 8.310 nan 0.000 0.480 1190 S N 1.918 117.731 115.700 0.189 0.000 2.414 1190 S HA -0.074 4.400 4.470 0.005 0.000 0.227 1190 S C 1.272 176.102 174.600 0.384 0.000 1.022 1190 S CA 0.841 59.176 58.200 0.225 0.000 0.958 1190 S CB -0.417 62.839 63.200 0.093 0.000 0.797 1190 S HN 0.256 nan 8.310 nan 0.000 0.493 1191 D N 1.385 122.033 120.400 0.415 0.000 2.144 1191 D HA -0.033 4.610 4.640 0.005 0.000 0.199 1191 D C 1.740 178.402 176.300 0.604 0.000 0.984 1191 D CA 1.064 55.382 54.000 0.530 0.000 0.834 1191 D CB -0.393 40.752 40.800 0.574 0.000 0.955 1191 D HN 0.366 nan 8.370 nan 0.000 0.465 1192 M N -0.053 119.762 119.600 0.359 0.000 2.117 1192 M HA -0.120 4.363 4.480 0.005 0.000 0.262 1192 M C 1.838 178.331 176.300 0.321 0.000 1.065 1192 M CA 1.236 56.589 55.300 0.087 0.000 1.114 1192 M CB -0.606 31.875 32.600 -0.198 0.000 1.361 1192 M HN 0.240 nan 8.290 nan 0.000 0.408 1193 W N 0.429 121.868 121.300 0.232 0.000 2.333 1193 W HA -0.222 4.440 4.660 0.005 0.000 0.316 1193 W C 1.947 178.734 176.519 0.447 0.000 1.215 1193 W CA 2.186 59.736 57.345 0.340 0.000 1.278 1193 W CB -1.066 28.545 29.460 0.251 0.000 1.154 1193 W HN 0.280 nan 8.180 nan 0.000 0.486 1194 S N 0.810 116.944 115.700 0.724 0.000 2.383 1194 S HA -0.251 4.222 4.470 0.005 0.000 0.229 1194 S C 1.560 176.476 174.600 0.526 0.000 1.030 1194 S CA 1.653 60.248 58.200 0.659 0.000 1.002 1194 S CB -1.167 62.403 63.200 0.617 0.000 0.829 1194 S HN 0.339 nan 8.310 nan 0.000 0.467 1195 F N 2.716 122.881 119.950 0.358 0.000 2.120 1195 F HA -0.107 4.423 4.527 0.004 0.000 0.300 1195 F C 2.308 178.188 175.800 0.134 0.000 1.095 1195 F CA 1.325 59.488 58.000 0.272 0.000 1.249 1195 F CB -1.008 38.191 39.000 0.332 0.000 0.995 1195 F HN 0.226 nan 8.300 nan 0.000 0.480 1196 G N -0.133 108.689 108.800 0.037 0.000 2.440 1196 G HA2 -0.250 3.714 3.960 0.005 0.000 0.218 1196 G HA3 -0.250 3.714 3.960 0.005 0.000 0.218 1196 G C 1.703 176.629 174.900 0.044 0.000 1.154 1196 G CA 1.356 46.262 45.100 -0.323 0.000 0.767 1196 G HN 0.361 nan 8.290 nan 0.000 0.552 1197 V N 0.467 120.589 119.914 0.346 0.000 2.427 1197 V HA -0.144 3.979 4.120 0.005 0.000 0.248 1197 V C 2.986 179.267 176.094 0.311 0.000 1.051 1197 V CA 1.294 63.784 62.300 0.317 0.000 1.048 1197 V CB -0.323 31.513 31.823 0.022 0.000 0.666 1197 V HN 0.249 nan 8.190 nan 0.000 0.456 1198 V N 0.012 120.061 119.914 0.225 0.000 2.343 1198 V HA -0.257 3.866 4.120 0.005 0.000 0.247 1198 V C 2.344 178.432 176.094 -0.009 0.000 1.051 1198 V CA 1.948 64.331 62.300 0.139 0.000 1.036 1198 V CB -0.552 31.284 31.823 0.021 0.000 0.654 1198 V HN 0.453 nan 8.190 nan 0.000 0.451 1199 L N -1.584 119.515 121.223 -0.207 0.000 2.079 1199 L HA -0.235 4.108 4.340 0.005 0.000 0.210 1199 L C 2.310 179.174 176.870 -0.011 0.000 1.081 1199 L CA 2.228 56.949 54.840 -0.199 0.000 0.752 1199 L CB -0.570 41.287 42.059 -0.337 0.000 0.896 1199 L HN 0.522 nan 8.230 nan 0.000 0.433 1200 W N 1.392 122.650 121.300 -0.070 0.000 2.358 1200 W HA -0.188 4.475 4.660 0.004 0.000 0.303 1200 W C 2.424 178.944 176.519 0.000 0.000 1.208 1200 W CA 1.611 58.963 57.345 0.011 0.000 1.274 1200 W CB 0.042 29.588 29.460 0.144 0.000 1.138 1200 W HN 0.085 nan 8.180 nan 0.000 0.515 1201 E N 0.143 120.544 120.200 0.335 0.000 2.077 1201 E HA -0.257 4.096 4.350 0.005 0.000 0.193 1201 E C 2.107 178.700 176.600 -0.012 0.000 0.989 1201 E CA 1.831 58.342 56.400 0.185 0.000 0.800 1201 E CB -0.489 29.409 29.700 0.330 0.000 0.746 1201 E HN 0.377 nan 8.360 nan 0.000 0.452 1202 I N 1.154 121.718 120.570 -0.009 0.000 2.226 1202 I HA -0.246 3.928 4.170 0.005 0.000 0.245 1202 I C 2.690 178.741 176.117 -0.109 0.000 1.100 1202 I CA 1.615 62.891 61.300 -0.040 0.000 1.374 1202 I CB -0.428 37.547 38.000 -0.042 0.000 1.057 1202 I HN 0.231 nan 8.210 nan 0.000 0.413 1203 T N -2.905 111.547 114.554 -0.169 0.000 3.085 1203 T HA -0.020 4.333 4.350 0.005 0.000 0.263 1203 T C 1.510 176.027 174.700 -0.305 0.000 1.127 1203 T CA 0.842 62.814 62.100 -0.213 0.000 1.103 1203 T CB -0.251 68.496 68.868 -0.202 0.000 0.921 1203 T HN 0.396 nan 8.240 nan 0.000 0.510 1204 S N 0.758 116.204 115.700 -0.423 0.000 2.578 1204 S HA 0.358 4.831 4.470 0.005 0.000 0.231 1204 S C 0.775 175.202 174.600 -0.288 0.000 0.994 1204 S CA -0.594 57.311 58.200 -0.493 0.000 0.956 1204 S CB -0.763 61.836 63.200 -1.003 0.000 0.870 1204 S HN 0.487 nan 8.310 nan 0.000 0.494 1205 L N 0.810 121.919 121.223 -0.191 0.000 3.660 1205 L HA -0.295 4.048 4.340 0.005 0.000 0.440 1205 L C 0.854 177.687 176.870 -0.062 0.000 1.262 1205 L CA 0.127 54.903 54.840 -0.107 0.000 0.837 1205 L CB -2.409 39.587 42.059 -0.105 0.000 1.689 1205 L HN 0.822 nan 8.230 nan 0.000 0.890 1206 A N -0.921 121.877 122.820 -0.036 0.000 2.800 1206 A HA -0.200 4.123 4.320 0.005 0.000 0.292 1206 A C 0.854 178.499 177.584 0.101 0.000 1.474 1206 A CA 1.551 53.639 52.037 0.085 0.000 0.744 1206 A CB -1.229 17.845 19.000 0.123 0.000 1.044 1206 A HN 0.694 nan 8.150 nan 0.000 0.489 1207 E N -0.646 119.564 120.200 0.016 0.000 2.428 1207 E HA 0.204 4.558 4.350 0.005 0.000 0.257 1207 E C 0.472 177.277 176.600 0.342 0.000 1.197 1207 E CA -0.169 56.298 56.400 0.111 0.000 0.974 1207 E CB 0.267 29.968 29.700 0.000 0.000 0.976 1207 E HN 0.547 nan 8.360 nan 0.000 0.463 1208 Q N 1.723 121.693 119.800 0.283 0.000 2.295 1208 Q HA 0.167 4.511 4.340 0.005 0.000 0.259 1208 Q C -2.451 173.630 176.000 0.135 0.000 0.976 1208 Q CA -1.751 54.196 55.803 0.240 0.000 0.923 1208 Q CB 0.876 29.717 28.738 0.171 0.000 1.185 1208 Q HN 0.042 nan 8.270 nan 0.000 0.410 1209 P HA -0.020 nan 4.420 nan 0.000 0.268 1209 P C -1.177 175.870 177.300 -0.422 0.000 1.205 1209 P CA 0.223 62.826 63.100 -0.828 0.000 0.771 1209 P CB 0.207 31.209 31.700 -1.165 0.000 0.858 1210 Y N -1.130 118.932 120.300 -0.395 0.000 3.389 1210 Y HA -0.237 4.316 4.550 0.005 0.000 0.213 1210 Y C 0.792 176.600 175.900 -0.155 0.000 1.272 1210 Y CA 0.127 58.071 58.100 -0.259 0.000 1.444 1210 Y CB -2.792 35.518 38.460 -0.249 0.000 1.445 1210 Y HN 0.365 nan 8.280 nan 0.000 0.583 1211 Q N 1.373 121.172 119.800 -0.002 0.000 2.286 1211 Q HA 0.381 4.724 4.340 0.005 0.000 0.290 1211 Q C 1.331 177.330 176.000 -0.003 0.000 1.049 1211 Q CA 1.736 57.554 55.803 0.026 0.000 0.923 1211 Q CB 0.633 29.404 28.738 0.054 0.000 1.183 1211 Q HN 0.837 nan 8.270 nan 0.000 0.383 1212 G N 2.914 111.712 108.800 -0.004 0.000 2.213 1212 G HA2 -0.213 3.750 3.960 0.005 0.000 0.236 1212 G HA3 -0.213 3.750 3.960 0.005 0.000 0.236 1212 G C -0.284 174.586 174.900 -0.049 0.000 0.991 1212 G CA 0.035 45.119 45.100 -0.027 0.000 0.629 1212 G HN 0.530 nan 8.290 nan 0.000 0.517 1213 L N 2.300 123.492 121.223 -0.051 0.000 2.309 1213 L HA 0.617 4.960 4.340 0.005 0.000 0.282 1213 L C 1.265 178.112 176.870 -0.039 0.000 1.036 1213 L CA -0.320 54.474 54.840 -0.076 0.000 0.806 1213 L CB 1.741 43.718 42.059 -0.137 0.000 1.220 1213 L HN 0.404 nan 8.230 nan 0.000 0.429 1214 S N 1.284 116.960 115.700 -0.039 0.000 2.608 1214 S HA 0.143 4.616 4.470 0.005 0.000 0.261 1214 S C 0.917 175.502 174.600 -0.024 0.000 1.314 1214 S CA -0.679 57.510 58.200 -0.018 0.000 0.992 1214 S CB 0.822 64.013 63.200 -0.015 0.000 0.935 1214 S HN 0.610 nan 8.310 nan 0.000 0.564 1215 N N 1.436 120.135 118.700 -0.002 0.000 2.061 1215 N HA -0.145 4.598 4.740 0.005 0.000 0.193 1215 N C 1.592 177.089 175.510 -0.022 0.000 1.030 1215 N CA 1.901 54.951 53.050 0.000 0.000 0.856 1215 N CB -0.612 37.892 38.487 0.028 0.000 1.023 1215 N HN 0.783 nan 8.380 nan 0.000 0.424 1216 E N 0.723 120.913 120.200 -0.017 0.000 2.106 1216 E HA -0.130 4.223 4.350 0.005 0.000 0.192 1216 E C 1.949 178.530 176.600 -0.032 0.000 0.984 1216 E CA 0.679 57.067 56.400 -0.020 0.000 0.806 1216 E CB -0.068 29.625 29.700 -0.011 0.000 0.750 1216 E HN 0.477 nan 8.360 nan 0.000 0.458 1217 Q N 0.206 119.980 119.800 -0.043 0.000 2.119 1217 Q HA -0.118 4.226 4.340 0.005 0.000 0.201 1217 Q C 2.320 178.279 176.000 -0.068 0.000 0.972 1217 Q CA 1.068 56.839 55.803 -0.053 0.000 0.847 1217 Q CB 0.101 28.794 28.738 -0.076 0.000 0.903 1217 Q HN 0.142 nan 8.270 nan 0.000 0.433 1218 V N 1.060 120.900 119.914 -0.123 0.000 2.358 1218 V HA -0.248 3.875 4.120 0.005 0.000 0.246 1218 V C 2.162 178.160 176.094 -0.160 0.000 1.047 1218 V CA 1.445 63.606 62.300 -0.232 0.000 1.035 1218 V CB -0.561 31.057 31.823 -0.341 0.000 0.658 1218 V HN 0.340 nan 8.190 nan 0.000 0.452 1219 L N 0.353 121.513 121.223 -0.105 0.000 2.013 1219 L HA -0.211 4.132 4.340 0.005 0.000 0.212 1219 L C 2.374 179.205 176.870 -0.064 0.000 1.073 1219 L CA 2.063 56.852 54.840 -0.085 0.000 0.753 1219 L CB -0.741 41.287 42.059 -0.052 0.000 0.890 1219 L HN 0.217 nan 8.230 nan 0.000 0.432 1220 K N -1.356 119.027 120.400 -0.027 0.000 2.001 1220 K HA -0.187 4.136 4.320 0.005 0.000 0.208 1220 K C 2.114 178.731 176.600 0.029 0.000 1.048 1220 K CA 1.699 57.986 56.287 0.001 0.000 0.932 1220 K CB -0.537 31.974 32.500 0.017 0.000 0.715 1220 K HN 0.292 nan 8.250 nan 0.000 0.437 1221 F N 1.877 121.751 119.950 -0.127 0.000 2.069 1221 F HA -0.244 4.286 4.527 0.005 0.000 0.298 1221 F C 1.985 177.727 175.800 -0.098 0.000 1.113 1221 F CA 1.291 59.217 58.000 -0.124 0.000 1.214 1221 F CB -0.420 38.470 39.000 -0.183 0.000 0.978 1221 F HN -0.271 nan 8.300 nan 0.000 0.474 1222 V N 0.510 120.306 119.914 -0.196 0.000 2.358 1222 V HA -0.317 3.806 4.120 0.005 0.000 0.246 1222 V C 2.491 178.499 176.094 -0.144 0.000 1.047 1222 V CA 2.026 64.179 62.300 -0.245 0.000 1.035 1222 V CB -0.616 31.062 31.823 -0.242 0.000 0.658 1222 V HN 0.368 nan 8.190 nan 0.000 0.452 1223 M N -0.081 119.454 119.600 -0.107 0.000 2.213 1223 M HA -0.177 4.306 4.480 0.005 0.000 0.263 1223 M C 1.686 178.040 176.300 0.091 0.000 1.062 1223 M CA 1.688 56.978 55.300 -0.015 0.000 1.105 1223 M CB -0.473 32.102 32.600 -0.042 0.000 1.385 1223 M HN 0.306 nan 8.290 nan 0.000 0.417 1224 D N -0.571 119.816 120.400 -0.022 0.000 2.328 1224 D HA 0.098 4.741 4.640 0.005 0.000 0.226 1224 D C 1.089 177.304 176.300 -0.141 0.000 1.066 1224 D CA 0.972 54.928 54.000 -0.073 0.000 0.861 1224 D CB 0.098 40.855 40.800 -0.071 0.000 0.912 1224 D HN 0.467 nan 8.370 nan 0.000 0.521 1225 G N -1.034 107.734 108.800 -0.053 0.000 2.163 1225 G HA2 -0.137 3.826 3.960 0.005 0.000 0.213 1225 G HA3 -0.137 3.826 3.960 0.005 0.000 0.213 1225 G C 0.676 175.523 174.900 -0.088 0.000 0.991 1225 G CA -0.134 44.959 45.100 -0.012 0.000 0.653 1225 G HN 0.599 nan 8.290 nan 0.000 0.518 1226 G N -0.152 108.323 108.800 -0.543 0.000 2.527 1226 G HA2 0.718 4.681 3.960 0.005 0.000 0.248 1226 G HA3 0.718 4.681 3.960 0.005 0.000 0.248 1226 G C -0.246 174.373 174.900 -0.469 0.000 1.231 1226 G CA 0.315 44.673 45.100 -1.236 0.000 0.838 1226 G HN 1.474 nan 8.290 nan 0.000 0.570 1227 Y N -1.331 118.829 120.300 -0.235 0.000 2.705 1227 Y HA 0.660 5.214 4.550 0.005 0.000 0.332 1227 Y C -0.620 175.211 175.900 -0.115 0.000 1.221 1227 Y CA -1.710 56.295 58.100 -0.159 0.000 1.059 1227 Y CB 0.803 39.096 38.460 -0.280 0.000 1.298 1227 Y HN 0.451 nan 8.280 nan 0.000 0.459 1228 L N 2.370 123.307 121.223 -0.477 0.000 2.436 1228 L HA 0.272 4.615 4.340 0.005 0.000 0.265 1228 L C -0.254 176.621 176.870 0.009 0.000 1.168 1228 L CA -0.263 54.259 54.840 -0.530 0.000 0.815 1228 L CB 0.253 41.577 42.059 -1.225 0.000 1.109 1228 L HN 0.596 nan 8.230 nan 0.000 0.462 1229 D N 0.750 121.204 120.400 0.089 0.000 2.354 1229 D HA 0.133 4.776 4.640 0.005 0.000 0.247 1229 D C -0.115 176.424 176.300 0.398 0.000 1.138 1229 D CA -0.406 53.732 54.000 0.229 0.000 0.958 1229 D CB 0.696 41.581 40.800 0.141 0.000 1.144 1229 D HN 0.282 nan 8.370 nan 0.000 0.458 1230 Q N 1.005 120.980 119.800 0.291 0.000 2.313 1230 Q HA 0.268 4.611 4.340 0.005 0.000 0.266 1230 Q C -2.026 174.038 176.000 0.107 0.000 0.989 1230 Q CA -1.384 54.553 55.803 0.223 0.000 0.890 1230 Q CB 0.034 28.852 28.738 0.134 0.000 1.200 1230 Q HN 0.111 nan 8.270 nan 0.000 0.396 1231 P HA -0.029 nan 4.420 nan 0.000 0.269 1231 P C -0.693 176.547 177.300 -0.099 0.000 1.217 1231 P CA -0.163 62.830 63.100 -0.179 0.000 0.783 1231 P CB 0.505 31.957 31.700 -0.412 0.000 0.898 1232 D N 1.800 122.143 120.400 -0.095 0.000 2.531 1232 D HA -0.053 4.590 4.640 0.005 0.000 0.239 1232 D C 0.518 176.773 176.300 -0.076 0.000 1.144 1232 D CA 0.740 54.700 54.000 -0.067 0.000 0.869 1232 D CB -0.554 40.208 40.800 -0.063 0.000 1.160 1232 D HN 0.415 nan 8.370 nan 0.000 0.484 1233 N N -0.628 118.040 118.700 -0.054 0.000 2.741 1233 N HA -0.226 4.517 4.740 0.005 0.000 0.251 1233 N C -0.063 175.408 175.510 -0.065 0.000 1.112 1233 N CA 0.308 53.326 53.050 -0.054 0.000 0.750 1233 N CB -1.558 36.896 38.487 -0.056 0.000 1.119 1233 N HN 0.478 nan 8.380 nan 0.000 0.561 1234 C N 1.591 120.849 119.300 -0.070 0.000 2.633 1234 C HA 0.179 4.642 4.460 0.005 0.000 0.415 1234 C C -1.468 173.486 174.990 -0.059 0.000 1.393 1234 C CA -1.417 57.554 59.018 -0.078 0.000 1.700 1234 C CB -0.416 27.278 27.740 -0.076 0.000 2.541 1234 C HN 0.238 nan 8.230 nan 0.000 0.603 1235 P HA 0.088 nan 4.420 nan 0.000 0.265 1235 P C 0.520 177.790 177.300 -0.050 0.000 1.193 1235 P CA 0.427 63.495 63.100 -0.053 0.000 0.765 1235 P CB 0.390 32.055 31.700 -0.058 0.000 0.823 1236 E N 2.012 122.187 120.200 -0.040 0.000 2.110 1236 E HA -0.225 4.128 4.350 0.005 0.000 0.193 1236 E C 1.902 178.474 176.600 -0.046 0.000 0.988 1236 E CA 0.802 57.180 56.400 -0.036 0.000 0.804 1236 E CB -0.051 29.633 29.700 -0.027 0.000 0.745 1236 E HN 0.395 nan 8.360 nan 0.000 0.458 1237 R N 0.704 121.175 120.500 -0.049 0.000 2.117 1237 R HA -0.164 4.179 4.340 0.005 0.000 0.243 1237 R C 2.137 178.395 176.300 -0.070 0.000 1.143 1237 R CA 1.339 57.406 56.100 -0.054 0.000 0.968 1237 R CB -0.009 30.261 30.300 -0.050 0.000 0.863 1237 R HN 0.035 nan 8.270 nan 0.000 0.444 1238 V N -0.439 119.429 119.914 -0.076 0.000 2.488 1238 V HA -0.143 3.980 4.120 0.005 0.000 0.246 1238 V C 2.147 178.164 176.094 -0.127 0.000 1.046 1238 V CA 2.014 64.254 62.300 -0.100 0.000 1.053 1238 V CB -0.408 31.355 31.823 -0.099 0.000 0.679 1238 V HN 0.395 nan 8.190 nan 0.000 0.458 1239 T N 0.136 114.633 114.554 -0.095 0.000 2.684 1239 T HA -0.223 4.130 4.350 0.005 0.000 0.267 1239 T C 1.661 176.287 174.700 -0.123 0.000 1.036 1239 T CA 1.934 63.982 62.100 -0.087 0.000 1.148 1239 T CB -0.409 68.441 68.868 -0.030 0.000 0.863 1239 T HN 0.470 nan 8.240 nan 0.000 0.436 1240 D N 0.857 121.197 120.400 -0.100 0.000 2.123 1240 D HA -0.029 4.614 4.640 0.005 0.000 0.196 1240 D C 2.131 178.341 176.300 -0.150 0.000 0.992 1240 D CA 0.704 54.643 54.000 -0.101 0.000 0.833 1240 D CB -0.426 40.331 40.800 -0.072 0.000 0.954 1240 D HN 0.290 nan 8.370 nan 0.000 0.455 1241 L N -0.032 121.095 121.223 -0.160 0.000 2.056 1241 L HA -0.125 4.218 4.340 0.005 0.000 0.207 1241 L C 2.555 179.225 176.870 -0.334 0.000 1.078 1241 L CA 0.744 55.476 54.840 -0.181 0.000 0.749 1241 L CB -0.171 41.819 42.059 -0.116 0.000 0.901 1241 L HN 0.060 nan 8.230 nan 0.000 0.433 1242 M N -0.656 118.662 119.600 -0.471 0.000 2.080 1242 M HA -0.300 4.183 4.480 0.005 0.000 0.260 1242 M C 2.849 178.495 176.300 -1.089 0.000 1.068 1242 M CA 2.463 57.174 55.300 -0.981 0.000 1.109 1242 M CB -0.528 31.463 32.600 -1.015 0.000 1.342 1242 M HN 0.284 nan 8.290 nan 0.000 0.405 1243 R N 0.017 120.184 120.500 -0.556 0.000 2.091 1243 R HA -0.143 4.200 4.340 0.005 0.000 0.238 1243 R C 1.668 177.791 176.300 -0.294 0.000 1.136 1243 R CA 1.972 57.869 56.100 -0.338 0.000 0.959 1243 R CB -1.504 28.691 30.300 -0.175 0.000 0.856 1243 R HN 0.359 nan 8.270 nan 0.000 0.437 1244 M N -0.002 119.438 119.600 -0.268 0.000 2.175 1244 M HA -0.071 4.412 4.480 0.005 0.000 0.264 1244 M C 2.548 178.734 176.300 -0.191 0.000 1.063 1244 M CA 1.124 56.316 55.300 -0.180 0.000 1.119 1244 M CB -1.080 31.434 32.600 -0.143 0.000 1.377 1244 M HN 0.495 nan 8.290 nan 0.000 0.415 1245 C N -1.069 118.026 119.300 -0.341 0.000 2.432 1245 C HA -0.139 4.325 4.460 0.005 0.000 0.282 1245 C C 1.827 176.702 174.990 -0.191 0.000 1.388 1245 C CA 0.238 59.071 59.018 -0.309 0.000 1.777 1245 C CB -1.133 26.315 27.740 -0.487 0.000 1.882 1245 C HN 0.611 nan 8.230 nan 0.000 0.520 1246 W N 0.471 121.566 121.300 -0.341 0.000 3.102 1246 W HA 0.284 4.947 4.660 0.005 0.000 0.401 1246 W C 0.556 177.029 176.519 -0.076 0.000 1.070 1246 W CA -0.745 56.286 57.345 -0.524 0.000 1.921 1246 W CB -1.050 27.909 29.460 -0.836 0.000 1.118 1246 W HN 0.389 nan 8.180 nan 0.000 0.647 1247 Q N 0.622 120.521 119.800 0.165 0.000 2.304 1247 Q HA -0.127 4.216 4.340 0.005 0.000 0.301 1247 Q C 1.126 177.326 176.000 0.334 0.000 1.063 1247 Q CA 0.456 56.371 55.803 0.187 0.000 0.947 1247 Q CB 0.573 29.375 28.738 0.107 0.000 1.201 1247 Q HN 0.186 nan 8.270 nan 0.000 0.389 1248 F N 2.924 122.981 119.950 0.178 0.000 2.134 1248 F HA -0.149 4.382 4.527 0.006 0.000 0.299 1248 F C 1.105 176.959 175.800 0.091 0.000 1.097 1248 F CA 0.946 59.038 58.000 0.153 0.000 1.264 1248 F CB 0.229 39.281 39.000 0.086 0.000 1.001 1248 F HN 0.500 nan 8.300 nan 0.000 0.479 1249 N N 1.801 120.623 118.700 0.204 0.000 2.411 1249 N HA 0.074 4.817 4.740 0.005 0.000 0.259 1249 N C -1.806 173.727 175.510 0.038 0.000 1.103 1249 N CA -2.121 50.982 53.050 0.088 0.000 0.954 1249 N CB 1.019 39.583 38.487 0.129 0.000 1.085 1249 N HN 0.026 nan 8.380 nan 0.000 0.485 1250 P HA -0.110 nan 4.420 nan 0.000 0.219 1250 P C 0.398 177.712 177.300 0.023 0.000 1.146 1250 P CA 1.015 64.119 63.100 0.008 0.000 0.808 1250 P CB 0.443 32.126 31.700 -0.028 0.000 0.779 1251 N N -0.791 117.920 118.700 0.020 0.000 2.512 1251 N HA -0.009 4.734 4.740 0.005 0.000 0.183 1251 N C 1.368 176.891 175.510 0.022 0.000 1.073 1251 N CA 0.856 53.919 53.050 0.020 0.000 0.911 1251 N CB -0.248 38.251 38.487 0.020 0.000 0.964 1251 N HN 0.194 nan 8.380 nan 0.000 0.447 1252 M N 0.024 119.643 119.600 0.032 0.000 2.441 1252 M HA 0.129 4.612 4.480 0.005 0.000 0.244 1252 M C 0.438 176.745 176.300 0.013 0.000 1.122 1252 M CA 0.145 55.461 55.300 0.027 0.000 1.041 1252 M CB 0.005 32.633 32.600 0.046 0.000 1.438 1252 M HN -0.065 nan 8.290 nan 0.000 0.484 1253 R N 1.326 121.834 120.500 0.013 0.000 2.560 1253 R HA 0.315 4.658 4.340 0.005 0.000 0.270 1253 R C -2.069 174.197 176.300 -0.058 0.000 1.074 1253 R CA -1.401 54.690 56.100 -0.014 0.000 1.140 1253 R CB -0.181 30.129 30.300 0.018 0.000 1.073 1253 R HN 0.016 nan 8.270 nan 0.000 0.527 1254 P HA 0.033 nan 4.420 nan 0.000 0.274 1254 P C -0.435 176.749 177.300 -0.193 0.000 1.256 1254 P CA -0.374 62.650 63.100 -0.127 0.000 0.795 1254 P CB 0.455 32.068 31.700 -0.144 0.000 1.038 1255 T N -2.977 111.484 114.554 -0.155 0.000 2.927 1255 T HA 0.338 4.691 4.350 0.005 0.000 0.281 1255 T C 0.997 175.552 174.700 -0.241 0.000 0.998 1255 T CA -0.343 61.657 62.100 -0.165 0.000 1.019 1255 T CB 0.114 68.979 68.868 -0.006 0.000 1.061 1255 T HN 0.068 nan 8.240 nan 0.000 0.518 1256 F N 0.162 120.087 119.950 -0.043 0.000 2.134 1256 F HA 0.068 4.600 4.527 0.008 0.000 0.299 1256 F C 2.306 178.106 175.800 0.000 0.000 1.097 1256 F CA 0.982 58.922 58.000 -0.099 0.000 1.264 1256 F CB -0.854 38.101 39.000 -0.074 0.000 1.001 1256 F HN 0.428 nan 8.300 nan 0.000 0.479 1257 L N -0.228 121.162 121.223 0.278 0.000 2.043 1257 L HA -0.254 4.089 4.340 0.005 0.000 0.212 1257 L C 2.359 179.357 176.870 0.213 0.000 1.075 1257 L CA 1.565 56.595 54.840 0.317 0.000 0.752 1257 L CB -0.706 41.526 42.059 0.288 0.000 0.891 1257 L HN 0.200 nan 8.230 nan 0.000 0.432 1258 E N -0.051 120.204 120.200 0.091 0.000 2.110 1258 E HA -0.216 4.137 4.350 0.005 0.000 0.193 1258 E C 2.267 178.846 176.600 -0.034 0.000 0.988 1258 E CA 1.022 57.439 56.400 0.028 0.000 0.804 1258 E CB 0.032 29.723 29.700 -0.016 0.000 0.745 1258 E HN 0.436 nan 8.360 nan 0.000 0.458 1259 I N 0.734 121.258 120.570 -0.076 0.000 2.202 1259 I HA -0.209 3.965 4.170 0.005 0.000 0.242 1259 I C 2.476 178.518 176.117 -0.126 0.000 1.091 1259 I CA 0.992 62.228 61.300 -0.106 0.000 1.368 1259 I CB -0.996 36.889 38.000 -0.191 0.000 1.058 1259 I HN 0.015 nan 8.210 nan 0.000 0.410 1260 V N 1.500 121.325 119.914 -0.148 0.000 2.343 1260 V HA -0.294 3.829 4.120 0.005 0.000 0.247 1260 V C 2.331 178.085 176.094 -0.565 0.000 1.051 1260 V CA 2.302 64.392 62.300 -0.349 0.000 1.036 1260 V CB -1.126 30.477 31.823 -0.367 0.000 0.654 1260 V HN 0.436 nan 8.190 nan 0.000 0.451 1261 N N 0.176 118.597 118.700 -0.465 0.000 2.104 1261 N HA -0.175 4.568 4.740 0.005 0.000 0.190 1261 N C 1.852 177.278 175.510 -0.141 0.000 1.024 1261 N CA 1.270 54.165 53.050 -0.258 0.000 0.853 1261 N CB -0.330 38.213 38.487 0.094 0.000 1.008 1261 N HN 0.344 nan 8.380 nan 0.000 0.424 1262 L N 0.276 121.433 121.223 -0.110 0.000 2.079 1262 L HA -0.118 4.226 4.340 0.005 0.000 0.210 1262 L C 1.345 178.153 176.870 -0.103 0.000 1.081 1262 L CA 1.616 56.408 54.840 -0.081 0.000 0.752 1262 L CB -0.534 41.484 42.059 -0.068 0.000 0.896 1262 L HN 0.370 nan 8.230 nan 0.000 0.433 1263 L N -0.501 120.628 121.223 -0.157 0.000 2.607 1263 L HA -0.035 4.309 4.340 0.005 0.000 0.228 1263 L C 2.328 179.069 176.870 -0.215 0.000 1.123 1263 L CA 0.070 54.807 54.840 -0.172 0.000 0.890 1263 L CB -0.275 41.673 42.059 -0.184 0.000 1.103 1263 L HN 0.259 nan 8.230 nan 0.000 0.468 1264 K N -0.471 119.797 120.400 -0.220 0.000 2.280 1264 K HA -0.156 4.167 4.320 0.005 0.000 0.202 1264 K C 0.578 177.139 176.600 -0.065 0.000 1.047 1264 K CA 1.416 57.599 56.287 -0.174 0.000 0.942 1264 K CB -0.054 32.377 32.500 -0.116 0.000 0.739 1264 K HN 0.223 nan 8.250 nan 0.000 0.457 1265 D N 1.087 121.452 120.400 -0.059 0.000 2.349 1265 D HA 0.017 4.660 4.640 0.005 0.000 0.214 1265 D C -0.028 176.242 176.300 -0.050 0.000 1.063 1265 D CA 0.365 54.347 54.000 -0.029 0.000 0.847 1265 D CB 0.401 41.193 40.800 -0.013 0.000 0.933 1265 D HN 0.279 nan 8.370 nan 0.000 0.513 1266 D N 0.744 121.094 120.400 -0.084 0.000 2.670 1266 D HA 0.190 4.834 4.640 0.005 0.000 0.255 1266 D C 0.302 176.545 176.300 -0.094 0.000 1.286 1266 D CA 0.026 53.979 54.000 -0.079 0.000 0.830 1266 D CB 1.431 42.184 40.800 -0.078 0.000 1.065 1266 D HN 0.124 nan 8.370 nan 0.000 0.486 1267 L N -0.267 120.896 121.223 -0.100 0.000 2.309 1267 L HA 0.301 4.644 4.340 0.005 0.000 0.261 1267 L C 0.565 177.449 176.870 0.023 0.000 1.021 1267 L CA -1.035 53.748 54.840 -0.096 0.000 0.823 1267 L CB 2.375 44.249 42.059 -0.308 0.000 1.366 1267 L HN 0.079 nan 8.230 nan 0.000 0.423 1268 H N 2.014 121.093 119.070 0.014 0.000 3.038 1268 H HA -0.009 4.549 4.556 0.004 0.000 0.338 1268 H C -1.878 173.502 175.328 0.085 0.000 1.041 1268 H CA -0.593 55.491 56.048 0.061 0.000 1.394 1268 H CB 1.555 31.376 29.762 0.098 0.000 1.357 1268 H HN 0.301 nan 8.280 nan 0.000 0.600 1269 P HA -0.169 nan 4.420 nan 0.000 0.218 1269 P C 1.474 178.812 177.300 0.063 0.000 1.146 1269 P CA 1.878 64.891 63.100 -0.145 0.000 0.813 1269 P CB 0.069 31.613 31.700 -0.259 0.000 0.778 1270 S N -2.007 113.897 115.700 0.340 0.000 2.453 1270 S HA -0.148 4.325 4.470 0.005 0.000 0.231 1270 S C 1.808 176.517 174.600 0.182 0.000 1.005 1270 S CA 0.248 58.609 58.200 0.268 0.000 0.949 1270 S CB -1.653 61.725 63.200 0.296 0.000 0.774 1270 S HN 0.032 nan 8.310 nan 0.000 0.510 1271 F N 4.058 124.086 119.950 0.129 0.000 2.065 1271 F HA -0.004 4.534 4.527 0.019 0.000 0.298 1271 F C -1.114 174.719 175.800 0.054 0.000 1.112 1271 F CA 1.348 59.423 58.000 0.124 0.000 1.212 1271 F CB -1.206 37.881 39.000 0.146 0.000 0.975 1271 F HN 0.227 nan 8.300 nan 0.000 0.476 1272 P HA -0.137 nan 4.420 nan 0.000 0.222 1272 P C 0.857 178.067 177.300 -0.150 0.000 1.147 1272 P CA 1.600 64.467 63.100 -0.388 0.000 0.790 1272 P CB -0.137 31.213 31.700 -0.583 0.000 0.780 1273 E N -0.744 119.391 120.200 -0.109 0.000 2.285 1273 E HA -0.050 4.303 4.350 0.005 0.000 0.194 1273 E C 1.471 177.983 176.600 -0.146 0.000 0.997 1273 E CA 1.096 57.440 56.400 -0.094 0.000 0.845 1273 E CB -0.044 29.616 29.700 -0.067 0.000 0.782 1273 E HN 0.255 nan 8.360 nan 0.000 0.491 1274 V N -2.199 117.578 119.914 -0.227 0.000 3.562 1274 V HA 0.145 4.268 4.120 0.005 0.000 0.270 1274 V C 0.812 176.739 176.094 -0.278 0.000 1.418 1274 V CA -0.171 61.918 62.300 -0.351 0.000 1.033 1274 V CB 0.463 31.837 31.823 -0.748 0.000 0.820 1274 V HN 0.084 nan 8.190 nan 0.000 0.441 1275 S N 0.115 115.658 115.700 -0.262 0.000 2.592 1275 S HA 0.366 4.839 4.470 0.005 0.000 0.271 1275 S C 0.673 175.322 174.600 0.082 0.000 1.326 1275 S CA 0.104 58.197 58.200 -0.178 0.000 1.024 1275 S CB 1.027 63.897 63.200 -0.551 0.000 0.921 1275 S HN 0.443 nan 8.310 nan 0.000 0.527 1276 F N 2.358 122.358 119.950 0.085 0.000 2.146 1276 F HA 0.021 4.546 4.527 -0.004 0.000 0.298 1276 F C 1.645 177.541 175.800 0.160 0.000 1.096 1276 F CA 0.855 58.937 58.000 0.136 0.000 1.275 1276 F CB -0.686 38.449 39.000 0.225 0.000 1.008 1276 F HN 0.752 nan 8.300 nan 0.000 0.480 1277 F N 0.895 120.756 119.950 -0.148 0.000 2.091 1277 F HA -0.283 4.245 4.527 0.001 0.000 0.299 1277 F C 2.092 177.653 175.800 -0.399 0.000 1.103 1277 F CA 2.457 60.270 58.000 -0.311 0.000 1.228 1277 F CB -0.653 38.271 39.000 -0.126 0.000 0.984 1277 F HN 0.099 nan 8.300 nan 0.000 0.477 1278 H N -0.995 118.093 119.070 0.029 0.000 2.539 1278 H HA 0.190 4.747 4.556 0.003 0.000 0.269 1278 H C 1.062 176.321 175.328 -0.114 0.000 0.980 1278 H CA 0.308 56.340 56.048 -0.027 0.000 1.152 1278 H CB -0.164 29.664 29.762 0.110 0.000 1.407 1278 H HN 0.138 nan 8.280 nan 0.000 0.564 1279 S N 0.105 115.756 115.700 -0.081 0.000 2.603 1279 S HA 0.214 4.687 4.470 0.005 0.000 0.268 1279 S C 1.719 176.255 174.600 -0.107 0.000 1.317 1279 S CA -0.037 58.126 58.200 -0.062 0.000 1.012 1279 S CB 1.413 64.610 63.200 -0.006 0.000 0.926 1279 S HN 0.507 nan 8.310 nan 0.000 0.539 1280 E N 0.545 120.721 120.200 -0.041 0.000 2.209 1280 E HA -0.182 4.172 4.350 0.005 0.000 0.196 1280 E C 1.732 178.315 176.600 -0.028 0.000 0.993 1280 E CA 1.712 58.091 56.400 -0.036 0.000 0.819 1280 E CB -1.106 28.592 29.700 -0.003 0.000 0.745 1280 E HN 0.945 nan 8.360 nan 0.000 0.477 1281 E N 0.319 120.530 120.200 0.019 0.000 2.153 1281 E HA -0.152 4.201 4.350 0.005 0.000 0.194 1281 E C 0.816 177.445 176.600 0.050 0.000 0.988 1281 E CA 0.593 57.064 56.400 0.120 0.000 0.811 1281 E CB -0.105 29.794 29.700 0.331 0.000 0.746 1281 E HN 0.412 nan 8.360 nan 0.000 0.466 1282 N N 0.725 119.256 118.700 -0.283 0.000 2.498 1282 N HA 0.051 4.794 4.740 0.005 0.000 0.277 1282 N C -0.933 174.448 175.510 -0.216 0.000 1.208 1282 N CA 0.389 53.149 53.050 -0.483 0.000 1.029 1282 N CB 0.198 38.108 38.487 -0.961 0.000 1.403 1282 N HN 0.140 nan 8.380 nan 0.000 0.500 1283 K N 0.000 120.366 120.400 -0.057 0.000 2.780 1283 K HA 0.000 4.323 4.320 0.005 0.000 0.191 1283 K CA 0.000 56.266 56.287 -0.035 0.000 0.838 1283 K CB 0.000 32.496 32.500 -0.006 0.000 1.064 1283 K HN 0.000 nan 8.250 nan 0.000 0.543