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 1ya6_1_B DATA FIRST_RESID 998 DATA SEQUENCE MGSMRICIFM ARGLEGCGVT KFSLEQRDWF IKNGHEVTLV YAKDKSFTRT DATA SEQUENCE SSHDHKSFSI PVILAKEYDK ALKLVNDCDI LIINSVPATS VQEATINNYK DATA SEQUENCE KLLDNIKPSI RVVVYQHDHS VLSLRRNLGL EETVRRADVI FSHSDXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XPTVYNFQPP MDIVKVRSTY WKDVSEINMN DATA SEQUENCE INRWIGRTTT WKGFYQMFDF HEKFLKPAGK STVMEGLERS PAFIAIKEKG DATA SEQUENCE IPYEYYGNRE IDKMNLAPNQ PAQILDCYIN SEMLERMSKS GFGYQLSKLN DATA SEQUENCE QKYLQRSLEY THLELGACGT IPVFWKSTGE NLKFRVDNTP LTSHDSGIIW DATA SEQUENCE FDENDMESTF ERIKELSSDR ALYDREREKA YEFLYQHQDS SFCFKEQFDI DATA SEQUENCE ITK 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 998 M HA 0.000 nan 4.480 nan 0.000 0.227 998 M C 0.000 176.293 176.300 -0.012 0.000 1.140 998 M CA 0.000 55.289 55.300 -0.019 0.000 0.988 998 M CB 0.000 32.592 32.600 -0.014 0.000 1.302 999 G N 0.043 108.848 108.800 0.008 0.000 2.485 999 G HA2 -0.031 3.929 3.960 0.000 0.000 0.181 999 G HA3 -0.031 3.929 3.960 0.000 0.000 0.181 999 G C 0.093 175.044 174.900 0.086 0.000 0.999 999 G CA 0.704 45.830 45.100 0.043 0.000 0.721 999 G HN 1.231 nan 8.290 nan 0.000 0.486 1000 S N 0.176 115.889 115.700 0.022 0.000 2.617 1000 S HA 0.817 5.288 4.470 0.000 0.000 0.259 1000 S C 0.312 175.063 174.600 0.253 0.000 1.301 1000 S CA 0.154 58.386 58.200 0.053 0.000 0.984 1000 S CB 1.223 64.361 63.200 -0.104 0.000 0.954 1000 S HN 0.479 nan 8.310 nan 0.000 0.572 1001 M N -0.135 119.756 119.600 0.485 0.000 2.664 1001 M HA 0.439 4.919 4.480 0.000 0.000 0.279 1001 M C -0.651 175.720 176.300 0.119 0.000 1.275 1001 M CA -0.637 54.789 55.300 0.210 0.000 0.829 1001 M CB 2.266 34.929 32.600 0.106 0.000 1.727 1001 M HN 0.577 nan 8.290 nan 0.000 0.459 1002 R N 1.344 121.850 120.500 0.010 0.000 2.221 1002 R HA 0.555 4.895 4.340 0.000 0.000 0.327 1002 R C -1.156 175.071 176.300 -0.122 0.000 1.033 1002 R CA -0.307 55.771 56.100 -0.037 0.000 0.887 1002 R CB 0.681 30.960 30.300 -0.035 0.000 1.057 1002 R HN 0.395 nan 8.270 nan 0.000 0.455 1003 I N 3.349 123.808 120.570 -0.185 0.000 2.382 1003 I HA 0.163 4.333 4.170 0.000 0.000 0.286 1003 I C -0.172 175.832 176.117 -0.188 0.000 1.002 1003 I CA -0.882 60.229 61.300 -0.314 0.000 1.135 1003 I CB 1.350 38.929 38.000 -0.702 0.000 1.288 1003 I HN 0.667 nan 8.210 nan 0.000 0.448 1004 C N 8.407 127.631 119.300 -0.127 0.000 2.281 1004 C HA 0.602 5.063 4.460 0.000 0.000 0.323 1004 C C 0.106 175.101 174.990 0.008 0.000 1.270 1004 C CA -0.511 58.474 59.018 -0.055 0.000 1.559 1004 C CB -0.663 27.039 27.740 -0.064 0.000 2.239 1004 C HN 0.632 nan 8.230 nan 0.000 0.488 1005 I N 6.332 126.937 120.570 0.059 0.000 2.315 1005 I HA 0.316 4.486 4.170 0.000 0.000 0.291 1005 I C -0.193 176.086 176.117 0.270 0.000 1.006 1005 I CA -0.021 61.366 61.300 0.145 0.000 1.265 1005 I CB 0.808 38.879 38.000 0.118 0.000 1.387 1005 I HN 0.639 nan 8.210 nan 0.000 0.475 1006 F N 7.319 127.330 119.950 0.102 0.000 2.449 1006 F HA 0.535 5.062 4.527 0.000 0.000 0.342 1006 F C -0.385 175.494 175.800 0.132 0.000 1.127 1006 F CA -1.012 57.058 58.000 0.118 0.000 0.975 1006 F CB 1.312 40.385 39.000 0.121 0.000 1.146 1006 F HN 0.352 nan 8.300 nan 0.000 0.444 1007 M N 6.483 126.144 119.600 0.102 0.000 2.060 1007 M HA 0.287 4.767 4.480 0.000 0.000 0.342 1007 M C 0.545 176.626 176.300 -0.364 0.000 1.031 1007 M CA -0.294 54.934 55.300 -0.119 0.000 0.981 1007 M CB 1.633 34.227 32.600 -0.011 0.000 1.376 1007 M HN 0.764 nan 8.290 nan 0.000 0.397 1008 A N 2.346 124.741 122.820 -0.708 0.000 2.167 1008 A HA -0.014 4.307 4.320 0.000 0.000 0.214 1008 A C 2.036 179.424 177.584 -0.326 0.000 1.151 1008 A CA 0.962 52.566 52.037 -0.722 0.000 0.735 1008 A CB -0.245 18.205 19.000 -0.917 0.000 0.802 1008 A HN 0.841 nan 8.150 nan 0.000 0.467 1009 R N -0.666 119.709 120.500 -0.209 0.000 2.200 1009 R HA 0.270 4.610 4.340 0.000 0.000 0.208 1009 R C 0.891 177.258 176.300 0.111 0.000 1.033 1009 R CA 0.942 57.009 56.100 -0.055 0.000 1.000 1009 R CB -0.094 30.182 30.300 -0.040 0.000 0.906 1009 R HN 0.646 nan 8.270 nan 0.000 0.462 1010 G N 0.192 109.040 108.800 0.079 0.000 2.373 1010 G HA2 -0.144 3.816 3.960 0.000 0.000 0.634 1010 G HA3 -0.144 3.816 3.960 0.000 0.000 0.634 1010 G C -1.477 173.389 174.900 -0.057 0.000 1.267 1010 G CA -0.432 44.807 45.100 0.232 0.000 1.008 1010 G HN 0.146 nan 8.290 nan 0.000 0.497 1011 L N 1.067 122.190 121.223 -0.167 0.000 2.360 1011 L HA 0.514 4.854 4.340 0.000 0.000 0.265 1011 L C 1.531 178.015 176.870 -0.643 0.000 1.066 1011 L CA -0.364 54.160 54.840 -0.526 0.000 0.929 1011 L CB 0.610 42.125 42.059 -0.906 0.000 1.306 1011 L HN 0.775 nan 8.230 nan 0.000 0.434 1012 E N 2.004 121.590 120.200 -1.024 0.000 2.204 1012 E HA 0.030 4.380 4.350 0.000 0.000 0.194 1012 E C 1.346 177.665 176.600 -0.469 0.000 0.989 1012 E CA 0.803 56.469 56.400 -1.222 0.000 0.824 1012 E CB -0.149 28.877 29.700 -1.124 0.000 0.756 1012 E HN 0.680 nan 8.360 nan 0.000 0.477 1013 G N -1.030 107.556 108.800 -0.356 0.000 2.132 1013 G HA2 -0.273 3.687 3.960 0.000 0.000 0.228 1013 G HA3 -0.273 3.687 3.960 0.000 0.000 0.228 1013 G C 0.360 175.223 174.900 -0.061 0.000 1.000 1013 G CA 0.110 45.125 45.100 -0.142 0.000 0.693 1013 G HN 0.392 nan 8.290 nan 0.000 0.515 1014 C N -1.504 117.701 119.300 -0.158 0.000 3.462 1014 C HA 0.809 5.270 4.460 0.000 0.000 0.298 1014 C C 2.703 177.620 174.990 -0.122 0.000 3.205 1014 C CA 0.632 59.601 59.018 -0.082 0.000 1.845 1014 C CB 0.525 28.217 27.740 -0.080 0.000 3.397 1014 C HN 0.712 nan 8.230 nan 0.000 0.473 1015 G N 0.431 109.222 108.800 -0.016 0.000 2.476 1015 G HA2 -0.178 3.782 3.960 0.000 0.000 0.218 1015 G HA3 -0.178 3.782 3.960 0.000 0.000 0.218 1015 G C 1.393 176.280 174.900 -0.023 0.000 1.164 1015 G CA 1.813 46.968 45.100 0.092 0.000 0.768 1015 G HN 0.508 nan 8.290 nan 0.000 0.560 1016 V N 0.693 120.508 119.914 -0.164 0.000 2.407 1016 V HA -0.170 3.950 4.120 0.000 0.000 0.248 1016 V C 3.097 179.059 176.094 -0.220 0.000 1.055 1016 V CA 2.298 64.409 62.300 -0.313 0.000 1.049 1016 V CB -0.957 30.655 31.823 -0.352 0.000 0.662 1016 V HN 0.382 nan 8.190 nan 0.000 0.455 1017 T N -0.356 114.024 114.554 -0.290 0.000 2.777 1017 T HA -0.198 4.153 4.350 0.000 0.000 0.266 1017 T C 2.016 176.469 174.700 -0.412 0.000 1.040 1017 T CA 1.787 63.677 62.100 -0.350 0.000 1.141 1017 T CB -0.216 68.397 68.868 -0.425 0.000 0.868 1017 T HN 0.339 nan 8.240 nan 0.000 0.444 1018 K N 1.178 121.228 120.400 -0.584 0.000 2.032 1018 K HA -0.073 4.248 4.320 0.000 0.000 0.209 1018 K C 1.834 178.159 176.600 -0.458 0.000 1.048 1018 K CA 1.398 57.238 56.287 -0.745 0.000 0.927 1018 K CB -0.866 31.065 32.500 -0.948 0.000 0.712 1018 K HN 0.352 nan 8.250 nan 0.000 0.441 1019 F N 0.793 120.543 119.950 -0.333 0.000 2.102 1019 F HA -0.174 4.353 4.527 0.000 0.000 0.298 1019 F C 2.020 177.812 175.800 -0.013 0.000 1.105 1019 F CA 1.918 59.916 58.000 -0.005 0.000 1.239 1019 F CB -0.648 38.398 39.000 0.077 0.000 0.991 1019 F HN 0.029 nan 8.300 nan 0.000 0.474 1020 S N 1.173 116.866 115.700 -0.011 0.000 2.365 1020 S HA -0.216 4.254 4.470 0.000 0.000 0.225 1020 S C 2.122 176.661 174.600 -0.102 0.000 1.039 1020 S CA 1.804 59.962 58.200 -0.070 0.000 1.033 1020 S CB -0.704 62.486 63.200 -0.017 0.000 0.887 1020 S HN 0.404 nan 8.310 nan 0.000 0.447 1021 L N 1.254 122.426 121.223 -0.085 0.000 2.046 1021 L HA -0.098 4.242 4.340 0.000 0.000 0.208 1021 L C 2.661 179.516 176.870 -0.026 0.000 1.077 1021 L CA 1.067 55.907 54.840 0.000 0.000 0.747 1021 L CB -0.583 41.488 42.059 0.019 0.000 0.896 1021 L HN 0.239 nan 8.230 nan 0.000 0.432 1022 E N -0.073 120.090 120.200 -0.061 0.000 2.110 1022 E HA -0.253 4.098 4.350 0.000 0.000 0.193 1022 E C 2.051 178.652 176.600 0.002 0.000 0.988 1022 E CA 0.987 57.418 56.400 0.052 0.000 0.804 1022 E CB -0.107 29.679 29.700 0.143 0.000 0.745 1022 E HN 0.529 nan 8.360 nan 0.000 0.458 1023 Q N 0.687 120.322 119.800 -0.274 0.000 2.020 1023 Q HA -0.170 4.170 4.340 0.000 0.000 0.202 1023 Q C 2.360 178.229 176.000 -0.218 0.000 0.982 1023 Q CA 1.553 56.935 55.803 -0.701 0.000 0.838 1023 Q CB -0.040 28.298 28.738 -0.667 0.000 0.899 1023 Q HN 0.087 nan 8.270 nan 0.000 0.423 1024 R N 0.175 120.653 120.500 -0.036 0.000 2.105 1024 R HA -0.191 4.149 4.340 0.000 0.000 0.239 1024 R C 1.352 177.674 176.300 0.036 0.000 1.135 1024 R CA 2.022 58.161 56.100 0.065 0.000 0.967 1024 R CB -0.098 30.219 30.300 0.028 0.000 0.861 1024 R HN 0.307 nan 8.270 nan 0.000 0.442 1025 D N -0.521 119.875 120.400 -0.008 0.000 2.117 1025 D HA -0.187 4.453 4.640 0.000 0.000 0.198 1025 D C 1.388 177.697 176.300 0.015 0.000 0.982 1025 D CA 1.132 55.127 54.000 -0.008 0.000 0.828 1025 D CB -0.510 40.301 40.800 0.019 0.000 0.967 1025 D HN 0.376 nan 8.370 nan 0.000 0.464 1026 W N 0.737 121.905 121.300 -0.221 0.000 2.335 1026 W HA -0.189 4.472 4.660 0.000 0.000 0.311 1026 W C 2.019 178.361 176.519 -0.296 0.000 1.213 1026 W CA 1.421 58.585 57.345 -0.301 0.000 1.274 1026 W CB -0.651 28.488 29.460 -0.534 0.000 1.148 1026 W HN -0.126 nan 8.180 nan 0.000 0.498 1027 F N 0.234 120.209 119.950 0.042 0.000 2.051 1027 F HA -0.239 4.289 4.527 0.000 0.000 0.296 1027 F C 2.423 178.175 175.800 -0.080 0.000 1.122 1027 F CA 1.988 59.986 58.000 -0.003 0.000 1.201 1027 F CB -1.044 38.001 39.000 0.075 0.000 0.978 1027 F HN -0.240 nan 8.300 nan 0.000 0.472 1028 I N 0.168 120.814 120.570 0.126 0.000 2.145 1028 I HA -0.407 3.764 4.170 0.000 0.000 0.244 1028 I C 2.505 178.562 176.117 -0.099 0.000 1.075 1028 I CA 1.653 62.956 61.300 0.004 0.000 1.332 1028 I CB -0.535 37.441 38.000 -0.040 0.000 1.033 1028 I HN 0.133 nan 8.210 nan 0.000 0.410 1029 K N 0.909 121.218 120.400 -0.152 0.000 2.113 1029 K HA -0.214 4.107 4.320 0.000 0.000 0.208 1029 K C 1.123 177.538 176.600 -0.309 0.000 1.047 1029 K CA 1.903 58.062 56.287 -0.214 0.000 0.928 1029 K CB -0.082 32.281 32.500 -0.228 0.000 0.716 1029 K HN 0.275 nan 8.250 nan 0.000 0.446 1030 N N -0.653 117.781 118.700 -0.444 0.000 2.313 1030 N HA 0.102 4.842 4.740 0.000 0.000 0.207 1030 N C -0.125 175.119 175.510 -0.444 0.000 1.141 1030 N CA 0.785 53.518 53.050 -0.530 0.000 0.830 1030 N CB 1.182 39.118 38.487 -0.918 0.000 1.008 1030 N HN 0.388 nan 8.380 nan 0.000 0.481 1031 G N 0.279 108.887 108.800 -0.320 0.000 2.171 1031 G HA2 -0.229 3.731 3.960 0.000 0.000 0.238 1031 G HA3 -0.229 3.731 3.960 0.000 0.000 0.238 1031 G C -0.444 174.233 174.900 -0.373 0.000 1.039 1031 G CA -0.282 44.629 45.100 -0.315 0.000 0.759 1031 G HN 0.423 nan 8.290 nan 0.000 0.501 1032 H N -0.246 118.810 119.070 -0.024 0.000 2.710 1032 H HA 0.535 5.092 4.556 0.000 0.000 0.361 1032 H C -0.117 175.206 175.328 -0.008 0.000 1.175 1032 H CA -0.547 55.515 56.048 0.023 0.000 1.206 1032 H CB 1.529 31.366 29.762 0.124 0.000 1.750 1032 H HN 0.381 nan 8.280 nan 0.000 0.553 1033 E N 0.959 121.230 120.200 0.120 0.000 2.197 1033 E HA 0.431 4.781 4.350 0.000 0.000 0.281 1033 E C -0.996 175.605 176.600 0.000 0.000 0.995 1033 E CA -0.631 55.790 56.400 0.035 0.000 0.808 1033 E CB 1.744 31.454 29.700 0.016 0.000 1.093 1033 E HN 0.121 nan 8.360 nan 0.000 0.394 1034 V N 2.523 122.434 119.914 -0.006 0.000 2.623 1034 V HA 0.352 4.472 4.120 0.000 0.000 0.304 1034 V C -0.264 175.836 176.094 0.011 0.000 1.054 1034 V CA -0.864 61.422 62.300 -0.023 0.000 0.882 1034 V CB 1.996 33.816 31.823 -0.004 0.000 1.002 1034 V HN 0.826 nan 8.190 nan 0.000 0.424 1035 T N 2.719 117.281 114.554 0.014 0.000 2.807 1035 T HA 0.738 5.089 4.350 0.000 0.000 0.279 1035 T C -0.985 173.770 174.700 0.091 0.000 0.993 1035 T CA -0.610 61.523 62.100 0.055 0.000 0.970 1035 T CB 1.509 70.386 68.868 0.016 0.000 0.950 1035 T HN 0.441 nan 8.240 nan 0.000 0.441 1036 L N 4.903 126.231 121.223 0.175 0.000 2.277 1036 L HA 0.677 5.017 4.340 0.000 0.000 0.284 1036 L C -0.969 176.039 176.870 0.230 0.000 1.028 1036 L CA -0.482 54.487 54.840 0.215 0.000 0.835 1036 L CB 0.878 43.120 42.059 0.304 0.000 1.215 1036 L HN 0.687 nan 8.230 nan 0.000 0.425 1037 V N 5.885 125.939 119.914 0.234 0.000 2.581 1037 V HA 0.605 4.726 4.120 0.000 0.000 0.303 1037 V C -0.702 175.691 176.094 0.499 0.000 1.041 1037 V CA -0.595 61.854 62.300 0.249 0.000 0.907 1037 V CB 1.419 33.259 31.823 0.029 0.000 0.994 1037 V HN 0.725 nan 8.190 nan 0.000 0.442 1038 Y N 1.339 121.795 120.300 0.260 0.000 2.597 1038 Y HA 0.868 5.418 4.550 0.001 0.000 0.340 1038 Y C -0.286 175.745 175.900 0.220 0.000 1.097 1038 Y CA -1.605 56.629 58.100 0.223 0.000 1.037 1038 Y CB 1.448 39.938 38.460 0.050 0.000 1.305 1038 Y HN 0.714 nan 8.280 nan 0.000 0.463 1039 A N 2.794 125.758 122.820 0.239 0.000 2.343 1039 A HA 0.297 4.618 4.320 0.000 0.000 0.305 1039 A C 0.852 178.531 177.584 0.157 0.000 1.308 1039 A CA -0.577 51.542 52.037 0.136 0.000 0.949 1039 A CB 0.204 19.272 19.000 0.113 0.000 1.148 1039 A HN 0.897 nan 8.150 nan 0.000 0.545 1040 K N 1.964 122.367 120.400 0.005 0.000 2.504 1040 K HA -0.107 4.214 4.320 0.000 0.000 0.195 1040 K C 0.437 177.100 176.600 0.105 0.000 1.036 1040 K CA 1.088 57.428 56.287 0.088 0.000 0.984 1040 K CB -0.016 32.466 32.500 -0.030 0.000 0.788 1040 K HN 0.797 nan 8.250 nan 0.000 0.488 1041 D N 1.300 121.750 120.400 0.083 0.000 2.286 1041 D HA -0.225 4.415 4.640 0.000 0.000 0.197 1041 D C 0.594 176.913 176.300 0.032 0.000 1.015 1041 D CA 1.509 55.542 54.000 0.055 0.000 0.871 1041 D CB -0.077 40.754 40.800 0.052 0.000 1.044 1041 D HN 0.139 nan 8.370 nan 0.000 0.459 1042 K N 0.566 120.980 120.400 0.023 0.000 2.218 1042 K HA 0.280 4.600 4.320 0.000 0.000 0.276 1042 K C -0.464 176.065 176.600 -0.119 0.000 1.022 1042 K CA -0.350 55.875 56.287 -0.104 0.000 0.946 1042 K CB 0.795 33.180 32.500 -0.191 0.000 1.000 1042 K HN 0.213 nan 8.250 nan 0.000 0.468 1043 S N 2.473 118.028 115.700 -0.242 0.000 2.593 1043 S HA 0.648 5.118 4.470 0.000 0.000 0.297 1043 S C -0.587 173.766 174.600 -0.412 0.000 1.112 1043 S CA -0.794 57.328 58.200 -0.130 0.000 1.043 1043 S CB 0.687 63.866 63.200 -0.035 0.000 1.054 1043 S HN 0.422 nan 8.310 nan 0.000 0.516 1044 F N -0.814 119.139 119.950 0.005 0.000 2.764 1044 F HA 0.548 5.075 4.527 0.000 0.000 0.347 1044 F C 1.618 177.414 175.800 -0.008 0.000 1.151 1044 F CA -1.051 56.944 58.000 -0.009 0.000 1.021 1044 F CB 0.880 39.864 39.000 -0.026 0.000 1.438 1044 F HN 0.602 nan 8.300 nan 0.000 0.516 1045 T N -0.679 114.003 114.554 0.213 0.000 2.818 1045 T HA 0.011 4.361 4.350 0.000 0.000 0.246 1045 T C 1.454 176.194 174.700 0.067 0.000 1.036 1045 T CA 0.832 62.992 62.100 0.101 0.000 1.160 1045 T CB -0.212 68.699 68.868 0.070 0.000 0.869 1045 T HN 0.336 nan 8.240 nan 0.000 0.419 1046 R N 1.722 122.246 120.500 0.039 0.000 2.362 1046 R HA 0.093 4.433 4.340 0.000 0.000 0.204 1046 R C 1.892 178.186 176.300 -0.009 0.000 1.088 1046 R CA 0.300 56.384 56.100 -0.026 0.000 1.121 1046 R CB -0.544 29.710 30.300 -0.077 0.000 0.954 1046 R HN 0.231 nan 8.270 nan 0.000 0.478 1047 T N -0.879 113.699 114.554 0.039 0.000 3.139 1047 T HA -0.045 4.305 4.350 0.000 0.000 0.267 1047 T C 1.007 175.778 174.700 0.119 0.000 1.164 1047 T CA 1.089 63.215 62.100 0.044 0.000 1.075 1047 T CB -0.036 68.894 68.868 0.104 0.000 0.904 1047 T HN 0.161 nan 8.240 nan 0.000 0.540 1048 S N -0.694 115.045 115.700 0.065 0.000 2.780 1048 S HA 0.213 4.683 4.470 0.000 0.000 0.248 1048 S C 1.811 176.404 174.600 -0.012 0.000 1.036 1048 S CA -0.287 57.941 58.200 0.047 0.000 1.061 1048 S CB 0.470 63.676 63.200 0.009 0.000 1.037 1048 S HN 0.390 nan 8.310 nan 0.000 0.584 1049 S N 1.375 117.042 115.700 -0.055 0.000 2.399 1049 S HA -0.006 4.464 4.470 0.000 0.000 0.231 1049 S C 0.249 174.627 174.600 -0.370 0.000 1.022 1049 S CA 1.274 59.330 58.200 -0.241 0.000 0.983 1049 S CB -0.071 62.924 63.200 -0.342 0.000 0.803 1049 S HN 0.611 nan 8.310 nan 0.000 0.480 1050 H N -0.086 118.982 119.070 -0.004 0.000 2.621 1050 H HA 0.512 5.068 4.556 0.000 0.000 0.360 1050 H C -0.973 174.406 175.328 0.085 0.000 1.163 1050 H CA -1.128 54.941 56.048 0.035 0.000 1.194 1050 H CB 0.838 30.604 29.762 0.007 0.000 1.649 1050 H HN -0.037 nan 8.280 nan 0.000 0.532 1051 D N 0.911 121.415 120.400 0.174 0.000 2.316 1051 D HA 0.083 4.723 4.640 0.000 0.000 0.245 1051 D C 0.520 176.868 176.300 0.079 0.000 1.171 1051 D CA -0.068 53.967 54.000 0.059 0.000 0.856 1051 D CB 0.414 41.257 40.800 0.072 0.000 1.090 1051 D HN 0.775 nan 8.370 nan 0.000 0.476 1052 H N 1.934 120.896 119.070 -0.180 0.000 3.583 1052 H HA 0.174 4.730 4.556 0.000 0.000 0.251 1052 H C 1.281 176.141 175.328 -0.780 0.000 1.060 1052 H CA -0.262 55.402 56.048 -0.641 0.000 1.159 1052 H CB -0.061 29.413 29.762 -0.481 0.000 1.496 1052 H HN 0.166 nan 8.280 nan 0.000 0.540 1053 K N 2.127 122.077 120.400 -0.750 0.000 2.127 1053 K HA -0.188 4.133 4.320 0.000 0.000 0.212 1053 K C 2.189 178.653 176.600 -0.228 0.000 1.050 1053 K CA 2.389 58.429 56.287 -0.410 0.000 0.929 1053 K CB -0.330 31.995 32.500 -0.292 0.000 0.715 1053 K HN 0.434 nan 8.250 nan 0.000 0.457 1054 S N -0.618 114.997 115.700 -0.142 0.000 2.660 1054 S HA -0.032 4.439 4.470 0.000 0.000 0.228 1054 S C 1.009 175.774 174.600 0.275 0.000 0.966 1054 S CA 0.672 58.935 58.200 0.104 0.000 0.940 1054 S CB -0.517 62.825 63.200 0.237 0.000 0.773 1054 S HN 0.419 nan 8.310 nan 0.000 0.535 1055 F N -0.874 119.122 119.950 0.077 0.000 2.720 1055 F HA 0.373 4.900 4.527 0.000 0.000 0.405 1055 F C 0.260 176.138 175.800 0.130 0.000 0.853 1055 F CA -0.330 57.721 58.000 0.085 0.000 0.962 1055 F CB -0.536 38.505 39.000 0.069 0.000 1.135 1055 F HN 0.171 nan 8.300 nan 0.000 0.587 1056 S N 3.297 118.861 115.700 -0.227 0.000 2.552 1056 S HA 0.376 4.846 4.470 0.000 0.000 0.289 1056 S C -0.192 174.528 174.600 0.201 0.000 1.304 1056 S CA -0.171 58.091 58.200 0.103 0.000 1.063 1056 S CB 0.225 63.530 63.200 0.174 0.000 0.848 1056 S HN 0.309 nan 8.310 nan 0.000 0.499 1057 I N 4.895 125.577 120.570 0.186 0.000 2.371 1057 I HA 0.320 4.490 4.170 0.000 0.000 0.282 1057 I C -1.975 174.047 176.117 -0.159 0.000 1.031 1057 I CA -2.472 58.852 61.300 0.040 0.000 1.180 1057 I CB 1.187 39.201 38.000 0.024 0.000 1.336 1057 I HN 0.495 nan 8.210 nan 0.000 0.467 1058 P HA 0.234 nan 4.420 nan 0.000 0.275 1058 P C -0.609 176.478 177.300 -0.355 0.000 1.270 1058 P CA -0.259 62.361 63.100 -0.801 0.000 0.791 1058 P CB 2.156 33.509 31.700 -0.578 0.000 1.089 1059 V N 0.226 119.968 119.914 -0.286 0.000 2.963 1059 V HA 0.188 4.308 4.120 0.000 0.000 0.272 1059 V C -0.996 175.073 176.094 -0.041 0.000 1.559 1059 V CA -0.532 61.703 62.300 -0.109 0.000 0.959 1059 V CB 1.617 33.400 31.823 -0.067 0.000 1.202 1059 V HN 0.271 nan 8.190 nan 0.000 0.447 1060 I N 7.318 127.884 120.570 -0.005 0.000 2.276 1060 I HA 0.268 4.438 4.170 0.000 0.000 0.290 1060 I C 1.419 177.577 176.117 0.069 0.000 1.109 1060 I CA -0.156 61.163 61.300 0.031 0.000 1.229 1060 I CB 0.954 38.968 38.000 0.024 0.000 1.452 1060 I HN 0.606 nan 8.210 nan 0.000 0.497 1061 L N 4.315 125.603 121.223 0.110 0.000 2.011 1061 L HA -0.353 3.987 4.340 0.000 0.000 0.225 1061 L C 2.800 179.761 176.870 0.152 0.000 1.084 1061 L CA 2.122 57.059 54.840 0.162 0.000 0.791 1061 L CB -0.600 41.587 42.059 0.213 0.000 0.898 1061 L HN 0.792 nan 8.230 nan 0.000 0.440 1062 A N -0.084 122.807 122.820 0.118 0.000 1.884 1062 A HA -0.278 4.042 4.320 0.000 0.000 0.219 1062 A C 2.254 179.891 177.584 0.089 0.000 1.197 1062 A CA 2.470 54.565 52.037 0.098 0.000 0.637 1062 A CB -0.460 18.580 19.000 0.067 0.000 0.827 1062 A HN 0.485 nan 8.150 nan 0.000 0.450 1063 K N -0.747 119.697 120.400 0.073 0.000 2.323 1063 K HA 0.068 4.388 4.320 0.000 0.000 0.197 1063 K C -0.013 176.629 176.600 0.071 0.000 1.043 1063 K CA 0.801 57.124 56.287 0.061 0.000 0.997 1063 K CB 0.283 32.807 32.500 0.041 0.000 0.807 1063 K HN 0.571 nan 8.250 nan 0.000 0.497 1064 E N 0.240 120.488 120.200 0.081 0.000 3.659 1064 E HA 0.033 4.383 4.350 0.000 0.000 0.217 1064 E C -0.358 176.292 176.600 0.083 0.000 1.141 1064 E CA -0.214 56.226 56.400 0.068 0.000 1.340 1064 E CB 0.351 30.066 29.700 0.024 0.000 1.295 1064 E HN 0.182 nan 8.360 nan 0.000 0.434 1065 Y N 2.157 122.465 120.300 0.015 0.000 2.128 1065 Y HA -0.285 4.266 4.550 0.000 0.000 0.284 1065 Y C 1.210 177.105 175.900 -0.008 0.000 1.154 1065 Y CA 2.457 60.565 58.100 0.012 0.000 1.149 1065 Y CB 0.198 38.666 38.460 0.014 0.000 0.976 1065 Y HN 0.201 nan 8.280 nan 0.000 0.505 1066 D N 0.206 120.678 120.400 0.119 0.000 2.106 1066 D HA -0.256 4.384 4.640 0.000 0.000 0.191 1066 D C 2.050 178.292 176.300 -0.096 0.000 0.997 1066 D CA 1.950 55.964 54.000 0.024 0.000 0.834 1066 D CB -0.433 40.405 40.800 0.064 0.000 0.956 1066 D HN 0.359 nan 8.370 nan 0.000 0.448 1067 K N 0.674 121.032 120.400 -0.070 0.000 2.001 1067 K HA -0.180 4.140 4.320 0.000 0.000 0.214 1067 K C 2.131 178.637 176.600 -0.156 0.000 1.050 1067 K CA 1.647 57.881 56.287 -0.089 0.000 0.934 1067 K CB -0.270 32.196 32.500 -0.057 0.000 0.718 1067 K HN 0.142 nan 8.250 nan 0.000 0.443 1068 A N 0.972 123.674 122.820 -0.196 0.000 1.933 1068 A HA -0.130 4.190 4.320 0.000 0.000 0.218 1068 A C 2.044 179.410 177.584 -0.364 0.000 1.175 1068 A CA 1.311 53.183 52.037 -0.275 0.000 0.628 1068 A CB -0.568 18.301 19.000 -0.218 0.000 0.814 1068 A HN 0.420 nan 8.150 nan 0.000 0.444 1069 L N -0.058 120.894 121.223 -0.451 0.000 2.093 1069 L HA -0.108 4.233 4.340 0.000 0.000 0.208 1069 L C 2.260 178.981 176.870 -0.248 0.000 1.085 1069 L CA 2.442 57.024 54.840 -0.430 0.000 0.755 1069 L CB -0.451 41.288 42.059 -0.532 0.000 0.904 1069 L HN 0.465 nan 8.230 nan 0.000 0.435 1070 K N -0.676 119.607 120.400 -0.196 0.000 2.025 1070 K HA -0.153 4.168 4.320 0.000 0.000 0.207 1070 K C 2.109 178.623 176.600 -0.143 0.000 1.049 1070 K CA 1.578 57.785 56.287 -0.133 0.000 0.933 1070 K CB -0.207 32.234 32.500 -0.098 0.000 0.714 1070 K HN 0.357 nan 8.250 nan 0.000 0.438 1071 L N 1.070 122.187 121.223 -0.176 0.000 1.971 1071 L HA -0.216 4.125 4.340 0.000 0.000 0.215 1071 L C 2.443 179.191 176.870 -0.203 0.000 1.072 1071 L CA 1.706 56.435 54.840 -0.185 0.000 0.758 1071 L CB -0.729 41.191 42.059 -0.232 0.000 0.889 1071 L HN 0.195 nan 8.230 nan 0.000 0.433 1072 V N -3.491 116.259 119.914 -0.274 0.000 3.305 1072 V HA -0.059 4.061 4.120 0.000 0.000 0.269 1072 V C 1.565 177.570 176.094 -0.147 0.000 1.157 1072 V CA 1.499 63.656 62.300 -0.239 0.000 1.157 1072 V CB -0.682 30.963 31.823 -0.296 0.000 0.772 1072 V HN 0.456 nan 8.190 nan 0.000 0.498 1073 N N 0.628 119.247 118.700 -0.134 0.000 2.254 1073 N HA 0.040 4.780 4.740 0.000 0.000 0.190 1073 N C 0.510 175.975 175.510 -0.075 0.000 1.107 1073 N CA 0.730 53.725 53.050 -0.093 0.000 0.869 1073 N CB 0.280 38.715 38.487 -0.087 0.000 0.983 1073 N HN 0.597 nan 8.380 nan 0.000 0.487 1074 D N 1.417 121.767 120.400 -0.083 0.000 3.134 1074 D HA 0.099 4.739 4.640 0.000 0.000 0.248 1074 D C -0.295 175.969 176.300 -0.060 0.000 1.273 1074 D CA -0.340 53.622 54.000 -0.065 0.000 0.904 1074 D CB -0.522 40.239 40.800 -0.065 0.000 1.089 1074 D HN 0.239 nan 8.370 nan 0.000 0.478 1075 C N -1.898 117.367 119.300 -0.059 0.000 3.321 1075 C HA 0.515 4.975 4.460 0.000 0.000 0.329 1075 C C 0.816 175.774 174.990 -0.052 0.000 1.394 1075 C CA -0.802 58.181 59.018 -0.059 0.000 1.291 1075 C CB 1.490 29.185 27.740 -0.074 0.000 1.606 1075 C HN 0.087 nan 8.230 nan 0.000 0.463 1076 D N 0.186 120.552 120.400 -0.056 0.000 2.338 1076 D HA 0.257 4.897 4.640 0.000 0.000 0.224 1076 D C 0.142 176.405 176.300 -0.061 0.000 0.967 1076 D CA 1.347 55.318 54.000 -0.048 0.000 0.896 1076 D CB 0.444 41.221 40.800 -0.037 0.000 1.028 1076 D HN 0.609 nan 8.370 nan 0.000 0.493 1077 I N 1.713 122.230 120.570 -0.089 0.000 2.447 1077 I HA 0.170 4.341 4.170 0.000 0.000 0.287 1077 I C -1.120 174.955 176.117 -0.070 0.000 1.023 1077 I CA -0.891 60.358 61.300 -0.085 0.000 1.083 1077 I CB 2.728 40.653 38.000 -0.124 0.000 1.245 1077 I HN -0.195 nan 8.210 nan 0.000 0.434 1078 L N 8.513 129.726 121.223 -0.017 0.000 2.265 1078 L HA 0.563 4.904 4.340 0.000 0.000 0.289 1078 L C -0.661 176.267 176.870 0.097 0.000 1.033 1078 L CA 0.020 54.876 54.840 0.027 0.000 0.814 1078 L CB 0.663 42.743 42.059 0.035 0.000 1.203 1078 L HN 0.382 nan 8.230 nan 0.000 0.423 1079 I N 6.579 127.230 120.570 0.136 0.000 2.321 1079 I HA 0.332 4.502 4.170 0.000 0.000 0.291 1079 I C -0.319 175.971 176.117 0.289 0.000 0.998 1079 I CA -0.344 61.101 61.300 0.242 0.000 1.227 1079 I CB 1.108 39.272 38.000 0.275 0.000 1.368 1079 I HN 0.487 nan 8.210 nan 0.000 0.466 1080 I N 6.538 127.285 120.570 0.296 0.000 2.328 1080 I HA 0.233 4.403 4.170 0.000 0.000 0.287 1080 I C 0.567 176.842 176.117 0.263 0.000 1.012 1080 I CA -0.292 61.170 61.300 0.270 0.000 1.195 1080 I CB 0.967 39.113 38.000 0.243 0.000 1.350 1080 I HN 0.584 nan 8.210 nan 0.000 0.464 1081 N N 3.696 122.535 118.700 0.231 0.000 2.236 1081 N HA 0.065 4.805 4.740 0.000 0.000 0.196 1081 N C -0.069 175.545 175.510 0.174 0.000 1.114 1081 N CA 0.162 53.378 53.050 0.276 0.000 0.859 1081 N CB 0.695 39.339 38.487 0.261 0.000 0.982 1081 N HN 0.730 nan 8.380 nan 0.000 0.493 1082 S N -1.171 114.551 115.700 0.036 0.000 2.578 1082 S HA 0.578 5.048 4.470 0.000 0.000 0.272 1082 S C -0.851 173.648 174.600 -0.169 0.000 1.145 1082 S CA -0.869 57.303 58.200 -0.045 0.000 0.835 1082 S CB 1.539 64.685 63.200 -0.090 0.000 1.104 1082 S HN -0.073 nan 8.310 nan 0.000 0.458 1083 V N -2.736 117.061 119.914 -0.196 0.000 3.040 1083 V HA 0.847 4.967 4.120 0.000 0.000 0.312 1083 V C -3.196 172.700 176.094 -0.330 0.000 1.115 1083 V CA -2.882 59.188 62.300 -0.384 0.000 0.998 1083 V CB 0.925 32.576 31.823 -0.287 0.000 1.042 1083 V HN 0.756 nan 8.190 nan 0.000 0.433 1084 P HA 0.156 nan 4.420 nan 0.000 0.266 1084 P C -0.218 177.013 177.300 -0.115 0.000 1.180 1084 P CA 0.956 63.913 63.100 -0.239 0.000 0.765 1084 P CB 0.201 31.752 31.700 -0.249 0.000 0.806 1085 A N 2.214 125.007 122.820 -0.045 0.000 2.302 1085 A HA 0.340 4.660 4.320 0.000 0.000 0.285 1085 A C 1.417 178.991 177.584 -0.016 0.000 1.105 1085 A CA 0.094 52.125 52.037 -0.010 0.000 0.816 1085 A CB -0.306 18.707 19.000 0.022 0.000 1.067 1085 A HN 0.636 nan 8.150 nan 0.000 0.489 1086 T N -1.301 113.250 114.554 -0.006 0.000 3.139 1086 T HA -0.081 4.269 4.350 0.000 0.000 0.267 1086 T C 1.101 175.798 174.700 -0.005 0.000 1.164 1086 T CA 1.390 63.489 62.100 -0.002 0.000 1.075 1086 T CB -0.620 68.251 68.868 0.004 0.000 0.904 1086 T HN 0.974 nan 8.240 nan 0.000 0.540 1087 S N 0.166 115.858 115.700 -0.013 0.000 2.526 1087 S HA 0.294 4.764 4.470 0.000 0.000 0.220 1087 S C 0.831 175.419 174.600 -0.021 0.000 1.017 1087 S CA -0.052 58.136 58.200 -0.019 0.000 0.930 1087 S CB -0.486 62.693 63.200 -0.034 0.000 0.856 1087 S HN 0.651 nan 8.310 nan 0.000 0.497 1088 V N 0.963 120.867 119.914 -0.018 0.000 3.139 1088 V HA 0.301 4.421 4.120 0.000 0.000 0.307 1088 V C 0.024 176.119 176.094 0.003 0.000 1.095 1088 V CA -0.682 61.612 62.300 -0.009 0.000 1.160 1088 V CB 0.071 31.892 31.823 -0.003 0.000 1.003 1088 V HN 0.481 nan 8.190 nan 0.000 0.489 1089 Q N 1.077 120.883 119.800 0.010 0.000 2.471 1089 Q HA 0.190 4.530 4.340 0.000 0.000 0.223 1089 Q C 1.016 177.033 176.000 0.028 0.000 1.045 1089 Q CA -0.493 55.319 55.803 0.016 0.000 0.956 1089 Q CB 0.559 29.307 28.738 0.016 0.000 1.249 1089 Q HN 0.787 nan 8.270 nan 0.000 0.549 1090 E N 0.766 120.982 120.200 0.026 0.000 2.085 1090 E HA -0.219 4.131 4.350 0.000 0.000 0.194 1090 E C 1.842 178.468 176.600 0.045 0.000 0.994 1090 E CA 1.518 57.938 56.400 0.033 0.000 0.801 1090 E CB -0.475 29.240 29.700 0.024 0.000 0.743 1090 E HN 0.720 nan 8.360 nan 0.000 0.453 1091 A N 0.770 123.615 122.820 0.042 0.000 1.940 1091 A HA -0.194 4.127 4.320 0.000 0.000 0.219 1091 A C 2.454 180.088 177.584 0.085 0.000 1.176 1091 A CA 2.182 54.251 52.037 0.052 0.000 0.631 1091 A CB -0.888 18.139 19.000 0.045 0.000 0.814 1091 A HN 0.274 nan 8.150 nan 0.000 0.446 1092 T N -0.093 114.511 114.554 0.082 0.000 2.639 1092 T HA -0.128 4.222 4.350 0.000 0.000 0.261 1092 T C 1.864 176.653 174.700 0.148 0.000 1.053 1092 T CA 1.564 63.729 62.100 0.109 0.000 1.158 1092 T CB -0.375 68.535 68.868 0.070 0.000 0.863 1092 T HN 0.415 nan 8.240 nan 0.000 0.413 1093 I N 1.664 122.300 120.570 0.111 0.000 2.361 1093 I HA -0.105 4.065 4.170 0.000 0.000 0.251 1093 I C 1.794 178.022 176.117 0.185 0.000 1.133 1093 I CA 1.281 62.666 61.300 0.142 0.000 1.413 1093 I CB -0.585 37.464 38.000 0.081 0.000 1.073 1093 I HN 0.242 nan 8.210 nan 0.000 0.424 1094 N N 0.336 119.114 118.700 0.129 0.000 2.109 1094 N HA -0.148 4.592 4.740 0.000 0.000 0.188 1094 N C 1.349 176.933 175.510 0.122 0.000 1.034 1094 N CA 1.204 54.314 53.050 0.100 0.000 0.846 1094 N CB -0.193 38.325 38.487 0.052 0.000 1.010 1094 N HN 0.349 nan 8.380 nan 0.000 0.425 1095 N N 0.268 119.061 118.700 0.156 0.000 2.453 1095 N HA -0.150 4.591 4.740 0.000 0.000 0.183 1095 N C 1.205 176.913 175.510 0.329 0.000 1.041 1095 N CA 0.562 53.757 53.050 0.242 0.000 0.900 1095 N CB -0.158 38.510 38.487 0.301 0.000 0.961 1095 N HN 0.435 nan 8.380 nan 0.000 0.443 1096 Y N 1.845 122.254 120.300 0.181 0.000 2.176 1096 Y HA -0.038 4.513 4.550 0.000 0.000 0.291 1096 Y C 2.018 178.015 175.900 0.162 0.000 1.122 1096 Y CA 1.403 59.609 58.100 0.177 0.000 1.128 1096 Y CB 0.040 38.571 38.460 0.118 0.000 1.005 1096 Y HN -0.149 nan 8.280 nan 0.000 0.509 1097 K N 0.444 120.883 120.400 0.065 0.000 2.211 1097 K HA -0.226 4.095 4.320 0.000 0.000 0.204 1097 K C 2.101 178.678 176.600 -0.038 0.000 1.047 1097 K CA 1.633 57.906 56.287 -0.023 0.000 0.935 1097 K CB -0.152 32.397 32.500 0.082 0.000 0.728 1097 K HN 0.266 nan 8.250 nan 0.000 0.452 1098 K N 1.266 121.694 120.400 0.047 0.000 2.097 1098 K HA -0.088 4.232 4.320 0.000 0.000 0.205 1098 K C 1.964 178.674 176.600 0.183 0.000 1.050 1098 K CA 0.837 57.185 56.287 0.103 0.000 0.938 1098 K CB 0.043 32.581 32.500 0.064 0.000 0.718 1098 K HN 0.059 nan 8.250 nan 0.000 0.442 1099 L N 0.827 122.131 121.223 0.135 0.000 2.056 1099 L HA -0.139 4.202 4.340 0.000 0.000 0.207 1099 L C 1.924 178.747 176.870 -0.077 0.000 1.078 1099 L CA 0.829 55.661 54.840 -0.013 0.000 0.749 1099 L CB -0.267 41.715 42.059 -0.129 0.000 0.901 1099 L HN 0.197 nan 8.230 nan 0.000 0.433 1100 L N -0.278 120.848 121.223 -0.162 0.000 2.721 1100 L HA -0.153 4.187 4.340 0.000 0.000 0.241 1100 L C 0.996 177.838 176.870 -0.047 0.000 1.168 1100 L CA 0.403 55.172 54.840 -0.119 0.000 0.866 1100 L CB -0.454 41.510 42.059 -0.159 0.000 0.996 1100 L HN 0.282 nan 8.230 nan 0.000 0.451 1101 D N -1.218 119.170 120.400 -0.019 0.000 2.473 1101 D HA 0.019 4.659 4.640 0.000 0.000 0.242 1101 D C 0.767 177.075 176.300 0.013 0.000 1.106 1101 D CA 0.320 54.321 54.000 0.001 0.000 0.854 1101 D CB 0.316 41.122 40.800 0.010 0.000 1.192 1101 D HN 0.154 nan 8.370 nan 0.000 0.503 1102 N N 0.186 118.902 118.700 0.027 0.000 2.380 1102 N HA 0.249 4.989 4.740 0.000 0.000 0.255 1102 N C -0.425 175.079 175.510 -0.011 0.000 1.158 1102 N CA 0.014 53.082 53.050 0.030 0.000 0.878 1102 N CB 0.935 39.479 38.487 0.094 0.000 1.138 1102 N HN 0.146 nan 8.380 nan 0.000 0.509 1103 I N 1.012 121.570 120.570 -0.021 0.000 2.315 1103 I HA 0.123 4.293 4.170 0.000 0.000 0.291 1103 I C 0.292 176.395 176.117 -0.023 0.000 1.006 1103 I CA -0.779 60.501 61.300 -0.033 0.000 1.265 1103 I CB 0.960 38.941 38.000 -0.032 0.000 1.387 1103 I HN -0.092 nan 8.210 nan 0.000 0.475 1104 K N 7.435 127.819 120.400 -0.026 0.000 2.543 1104 K HA -0.094 4.227 4.320 0.000 0.000 0.279 1104 K C -1.601 174.988 176.600 -0.017 0.000 1.001 1104 K CA -0.589 55.686 56.287 -0.020 0.000 1.088 1104 K CB 0.186 32.672 32.500 -0.023 0.000 0.863 1104 K HN 0.344 nan 8.250 nan 0.000 0.488 1105 P HA -0.234 nan 4.420 nan 0.000 0.218 1105 P C 0.994 178.286 177.300 -0.013 0.000 1.146 1105 P CA 1.310 64.403 63.100 -0.012 0.000 0.813 1105 P CB 0.225 31.920 31.700 -0.009 0.000 0.778 1106 S N -0.325 115.367 115.700 -0.015 0.000 2.335 1106 S HA -0.078 4.392 4.470 0.000 0.000 0.217 1106 S C 1.069 175.657 174.600 -0.020 0.000 1.032 1106 S CA 0.267 58.458 58.200 -0.016 0.000 0.985 1106 S CB -1.545 61.646 63.200 -0.015 0.000 0.896 1106 S HN 0.016 nan 8.310 nan 0.000 0.445 1107 I N 3.196 123.752 120.570 -0.022 0.000 3.114 1107 I HA -0.125 4.046 4.170 0.000 0.000 0.320 1107 I C 0.927 177.030 176.117 -0.023 0.000 1.230 1107 I CA 0.388 61.672 61.300 -0.026 0.000 1.440 1107 I CB -0.022 37.960 38.000 -0.029 0.000 1.334 1107 I HN 0.296 nan 8.210 nan 0.000 0.532 1108 R N 6.450 126.933 120.500 -0.028 0.000 2.242 1108 R HA 0.321 4.661 4.340 0.000 0.000 0.334 1108 R C -1.024 175.268 176.300 -0.012 0.000 1.071 1108 R CA -0.447 55.637 56.100 -0.026 0.000 0.922 1108 R CB 0.570 30.845 30.300 -0.040 0.000 1.023 1108 R HN 0.467 nan 8.270 nan 0.000 0.458 1109 V N 6.196 126.109 119.914 -0.001 0.000 2.432 1109 V HA 0.179 4.299 4.120 0.000 0.000 0.271 1109 V C -0.194 175.916 176.094 0.027 0.000 1.046 1109 V CA -0.373 61.941 62.300 0.023 0.000 0.945 1109 V CB 1.524 33.363 31.823 0.026 0.000 0.992 1109 V HN 0.496 nan 8.190 nan 0.000 0.471 1110 V N 6.239 126.193 119.914 0.067 0.000 2.378 1110 V HA 0.421 4.541 4.120 0.000 0.000 0.288 1110 V C -0.174 175.981 176.094 0.102 0.000 1.016 1110 V CA -0.625 61.716 62.300 0.069 0.000 0.840 1110 V CB 1.799 33.713 31.823 0.151 0.000 0.994 1110 V HN 0.566 nan 8.190 nan 0.000 0.431 1111 V N 5.470 125.393 119.914 0.014 0.000 2.370 1111 V HA 0.433 4.553 4.120 0.000 0.000 0.279 1111 V C -0.881 175.168 176.094 -0.075 0.000 1.029 1111 V CA -0.645 61.678 62.300 0.038 0.000 0.870 1111 V CB 1.283 33.120 31.823 0.023 0.000 0.984 1111 V HN 0.734 nan 8.190 nan 0.000 0.451 1112 Y N 3.060 123.333 120.300 -0.044 0.000 2.331 1112 Y HA 0.518 5.068 4.550 0.000 0.000 0.338 1112 Y C 0.324 175.997 175.900 -0.379 0.000 0.976 1112 Y CA -0.367 57.525 58.100 -0.346 0.000 1.137 1112 Y CB 1.720 39.829 38.460 -0.585 0.000 1.172 1112 Y HN 0.569 nan 8.280 nan 0.000 0.478 1113 Q N 2.788 122.456 119.800 -0.220 0.000 2.303 1113 Q HA 0.232 4.572 4.340 0.000 0.000 0.257 1113 Q C -0.254 175.636 176.000 -0.185 0.000 0.941 1113 Q CA -0.015 55.724 55.803 -0.107 0.000 0.931 1113 Q CB 0.450 29.177 28.738 -0.018 0.000 1.215 1113 Q HN 0.697 nan 8.270 nan 0.000 0.437 1114 H N 1.626 120.749 119.070 0.088 0.000 2.648 1114 H HA 0.195 4.751 4.556 0.000 0.000 0.265 1114 H C -0.496 174.908 175.328 0.127 0.000 0.961 1114 H CA 0.002 56.164 56.048 0.189 0.000 1.185 1114 H CB 0.911 30.725 29.762 0.087 0.000 1.449 1114 H HN 0.568 nan 8.280 nan 0.000 0.523 1115 D N 0.237 120.664 120.400 0.045 0.000 2.358 1115 D HA 0.067 4.707 4.640 0.000 0.000 0.244 1115 D C 1.103 177.221 176.300 -0.304 0.000 1.163 1115 D CA 0.096 53.956 54.000 -0.233 0.000 0.945 1115 D CB 1.294 42.007 40.800 -0.145 0.000 1.152 1115 D HN 0.333 nan 8.370 nan 0.000 0.451 1116 H N -0.518 118.379 119.070 -0.288 0.000 3.022 1116 H HA 0.062 4.618 4.556 0.000 0.000 0.180 1116 H C 0.592 175.360 175.328 -0.933 0.000 1.111 1116 H CA -0.087 55.577 56.048 -0.641 0.000 1.304 1116 H CB -0.978 28.368 29.762 -0.693 0.000 1.290 1116 H HN 0.349 nan 8.280 nan 0.000 0.441 1117 S N 1.846 117.165 115.700 -0.634 0.000 2.642 1117 S HA -0.049 4.421 4.470 0.000 0.000 0.308 1117 S C 1.593 176.032 174.600 -0.269 0.000 1.255 1117 S CA -0.057 57.872 58.200 -0.453 0.000 1.057 1117 S CB 0.223 63.281 63.200 -0.238 0.000 0.785 1117 S HN 0.201 nan 8.310 nan 0.000 0.500 1118 V N 6.496 126.321 119.914 -0.147 0.000 2.626 1118 V HA -0.125 3.995 4.120 0.000 0.000 0.252 1118 V C 2.262 178.337 176.094 -0.031 0.000 1.067 1118 V CA 1.685 63.953 62.300 -0.053 0.000 1.081 1118 V CB -0.708 31.128 31.823 0.022 0.000 0.686 1118 V HN 0.890 nan 8.190 nan 0.000 0.468 1119 L N -0.553 120.657 121.223 -0.022 0.000 2.265 1119 L HA -0.131 4.209 4.340 0.000 0.000 0.215 1119 L C 2.412 179.283 176.870 0.002 0.000 1.117 1119 L CA 1.120 55.963 54.840 0.005 0.000 0.782 1119 L CB -0.086 41.990 42.059 0.028 0.000 0.914 1119 L HN 0.339 nan 8.230 nan 0.000 0.441 1120 S N -0.582 115.101 115.700 -0.029 0.000 2.404 1120 S HA -0.005 4.465 4.470 0.000 0.000 0.223 1120 S C 1.803 176.388 174.600 -0.025 0.000 1.040 1120 S CA 0.426 58.612 58.200 -0.023 0.000 0.957 1120 S CB -0.004 63.159 63.200 -0.062 0.000 0.826 1120 S HN 0.291 nan 8.310 nan 0.000 0.491 1121 L N 1.405 122.603 121.223 -0.042 0.000 2.127 1121 L HA -0.098 4.242 4.340 0.000 0.000 0.211 1121 L C 2.454 179.319 176.870 -0.008 0.000 1.089 1121 L CA 0.940 55.764 54.840 -0.026 0.000 0.757 1121 L CB -0.323 41.719 42.059 -0.029 0.000 0.899 1121 L HN 0.161 nan 8.230 nan 0.000 0.434 1122 R N -0.085 120.413 120.500 -0.003 0.000 2.235 1122 R HA -0.016 4.324 4.340 0.000 0.000 0.213 1122 R C 1.579 177.884 176.300 0.008 0.000 1.059 1122 R CA 0.549 56.652 56.100 0.006 0.000 0.997 1122 R CB -0.289 30.018 30.300 0.011 0.000 0.884 1122 R HN 0.291 nan 8.270 nan 0.000 0.462 1123 R N 0.863 121.368 120.500 0.008 0.000 2.335 1123 R HA 0.135 4.476 4.340 0.000 0.000 0.223 1123 R C -0.296 176.006 176.300 0.004 0.000 0.940 1123 R CA 0.015 56.122 56.100 0.012 0.000 1.086 1123 R CB -0.508 29.806 30.300 0.024 0.000 1.073 1123 R HN 0.312 nan 8.270 nan 0.000 0.504 1124 N N 0.460 119.158 118.700 -0.004 0.000 2.399 1124 N HA 0.377 5.117 4.740 0.000 0.000 0.295 1124 N C -0.912 174.589 175.510 -0.016 0.000 1.048 1124 N CA -0.461 52.578 53.050 -0.018 0.000 0.886 1124 N CB 1.922 40.398 38.487 -0.019 0.000 1.185 1124 N HN -0.169 nan 8.380 nan 0.000 0.487 1125 L N 1.201 122.402 121.223 -0.036 0.000 2.322 1125 L HA 0.514 4.854 4.340 0.000 0.000 0.281 1125 L C 0.963 177.829 176.870 -0.007 0.000 1.014 1125 L CA -0.398 54.434 54.840 -0.014 0.000 0.815 1125 L CB 1.643 43.695 42.059 -0.011 0.000 1.247 1125 L HN 0.919 nan 8.230 nan 0.000 0.421 1126 G N 2.385 111.225 108.800 0.065 0.000 2.137 1126 G HA2 -0.275 3.686 3.960 0.000 0.000 0.237 1126 G HA3 -0.275 3.686 3.960 0.000 0.000 0.237 1126 G C 0.383 175.379 174.900 0.160 0.000 1.002 1126 G CA 0.301 45.498 45.100 0.163 0.000 0.702 1126 G HN 0.540 nan 8.290 nan 0.000 0.515 1127 L N 0.398 121.670 121.223 0.081 0.000 2.240 1127 L HA 0.322 4.662 4.340 0.000 0.000 0.211 1127 L C 2.374 179.285 176.870 0.069 0.000 1.106 1127 L CA 2.708 57.590 54.840 0.069 0.000 0.793 1127 L CB -0.140 41.939 42.059 0.033 0.000 0.927 1127 L HN 0.421 nan 8.230 nan 0.000 0.446 1128 E N -0.120 120.118 120.200 0.063 0.000 2.028 1128 E HA -0.221 4.129 4.350 0.000 0.000 0.190 1128 E C 1.944 178.577 176.600 0.055 0.000 0.984 1128 E CA 1.467 57.895 56.400 0.048 0.000 0.800 1128 E CB -0.043 29.681 29.700 0.040 0.000 0.758 1128 E HN 0.457 nan 8.360 nan 0.000 0.448 1129 E N -0.262 119.984 120.200 0.076 0.000 2.118 1129 E HA -0.145 4.205 4.350 0.000 0.000 0.195 1129 E C 2.107 178.749 176.600 0.069 0.000 0.992 1129 E CA 1.835 58.275 56.400 0.066 0.000 0.804 1129 E CB -0.562 29.185 29.700 0.080 0.000 0.741 1129 E HN 0.264 nan 8.360 nan 0.000 0.458 1130 T N 0.184 114.810 114.554 0.120 0.000 2.674 1130 T HA -0.123 4.227 4.350 0.000 0.000 0.265 1130 T C 2.026 176.768 174.700 0.070 0.000 1.039 1130 T CA 1.410 63.585 62.100 0.126 0.000 1.150 1130 T CB -0.403 68.581 68.868 0.193 0.000 0.864 1130 T HN -0.027 nan 8.240 nan 0.000 0.427 1131 V N 1.701 121.646 119.914 0.052 0.000 2.287 1131 V HA -0.205 3.915 4.120 0.000 0.000 0.248 1131 V C 2.592 178.692 176.094 0.010 0.000 1.053 1131 V CA 1.676 63.989 62.300 0.021 0.000 1.027 1131 V CB -0.640 31.190 31.823 0.011 0.000 0.646 1131 V HN 0.397 nan 8.190 nan 0.000 0.447 1132 R N -0.177 120.332 120.500 0.015 0.000 2.159 1132 R HA -0.189 4.151 4.340 0.000 0.000 0.237 1132 R C 2.389 178.691 176.300 0.003 0.000 1.131 1132 R CA 1.489 57.593 56.100 0.006 0.000 0.982 1132 R CB -0.283 30.023 30.300 0.009 0.000 0.868 1132 R HN 0.329 nan 8.270 nan 0.000 0.453 1133 R N 0.878 121.384 120.500 0.009 0.000 2.280 1133 R HA 0.167 4.507 4.340 0.000 0.000 0.195 1133 R C -0.099 176.204 176.300 0.005 0.000 0.935 1133 R CA 0.355 56.459 56.100 0.005 0.000 1.033 1133 R CB 0.215 30.519 30.300 0.006 0.000 0.964 1133 R HN 0.100 nan 8.270 nan 0.000 0.489 1134 A N 0.379 123.202 122.820 0.005 0.000 2.445 1134 A HA 0.159 4.479 4.320 0.000 0.000 0.242 1134 A C -0.076 177.496 177.584 -0.019 0.000 1.075 1134 A CA 0.000 52.035 52.037 -0.003 0.000 0.777 1134 A CB 0.304 19.297 19.000 -0.011 0.000 1.013 1134 A HN 0.396 nan 8.150 nan 0.000 0.493 1135 D N -0.221 120.163 120.400 -0.026 0.000 2.423 1135 D HA 0.235 4.875 4.640 0.000 0.000 0.208 1135 D C -0.285 175.987 176.300 -0.046 0.000 1.068 1135 D CA 0.844 54.825 54.000 -0.031 0.000 0.860 1135 D CB 0.805 41.588 40.800 -0.027 0.000 0.992 1135 D HN 0.226 nan 8.370 nan 0.000 0.504 1136 V N 1.263 121.132 119.914 -0.076 0.000 3.012 1136 V HA 0.453 4.573 4.120 0.000 0.000 0.307 1136 V C -0.843 175.124 176.094 -0.212 0.000 1.166 1136 V CA -0.777 61.439 62.300 -0.141 0.000 0.974 1136 V CB 3.238 34.931 31.823 -0.217 0.000 1.040 1136 V HN -0.123 nan 8.190 nan 0.000 0.428 1137 I N 3.168 123.563 120.570 -0.293 0.000 2.548 1137 I HA 0.501 4.671 4.170 0.000 0.000 0.287 1137 I C -1.363 174.516 176.117 -0.396 0.000 1.103 1137 I CA -0.174 60.954 61.300 -0.287 0.000 1.049 1137 I CB 2.034 39.934 38.000 -0.166 0.000 1.232 1137 I HN 0.413 nan 8.210 nan 0.000 0.429 1138 F N 3.378 123.137 119.950 -0.319 0.000 2.425 1138 F HA 0.631 5.159 4.527 0.000 0.000 0.331 1138 F C 0.629 176.392 175.800 -0.062 0.000 1.085 1138 F CA -0.376 57.488 58.000 -0.227 0.000 1.028 1138 F CB 2.015 40.608 39.000 -0.678 0.000 1.177 1138 F HN 0.334 nan 8.300 nan 0.000 0.487 1139 S N -0.057 115.871 115.700 0.381 0.000 2.588 1139 S HA 0.322 4.793 4.470 0.000 0.000 0.275 1139 S C 0.298 174.995 174.600 0.162 0.000 1.130 1139 S CA -0.620 57.726 58.200 0.244 0.000 0.855 1139 S CB 0.906 64.175 63.200 0.116 0.000 1.116 1139 S HN 0.685 nan 8.310 nan 0.000 0.472 1140 H N 0.878 120.008 119.070 0.100 0.000 2.462 1140 H HA 0.284 4.840 4.556 0.000 0.000 0.292 1140 H C 0.595 175.898 175.328 -0.042 0.000 1.049 1140 H CA 1.117 57.100 56.048 -0.108 0.000 1.334 1140 H CB 0.435 30.191 29.762 -0.011 0.000 1.404 1140 H HN 0.403 nan 8.280 nan 0.000 0.544 1141 S N -0.570 115.219 115.700 0.149 0.000 2.567 1141 S HA 0.190 4.660 4.470 0.000 0.000 0.270 1141 S C -1.317 173.334 174.600 0.084 0.000 1.152 1141 S CA -0.928 57.332 58.200 0.101 0.000 0.835 1141 S CB 1.635 64.900 63.200 0.109 0.000 1.115 1141 S HN 0.082 nan 8.310 nan 0.000 0.459 1170 T N 0.468 114.913 114.554 -0.182 0.000 2.845 1170 T HA 0.504 4.854 4.350 0.000 0.000 0.288 1170 T C -0.060 174.335 174.700 -0.508 0.000 0.980 1170 T CA -0.344 61.536 62.100 -0.366 0.000 1.071 1170 T CB 1.109 69.677 68.868 -0.501 0.000 0.941 1170 T HN 0.262 nan 8.240 nan 0.000 0.487 1171 V N 4.414 124.024 119.914 -0.506 0.000 2.311 1171 V HA 0.316 4.436 4.120 0.000 0.000 0.275 1171 V C -0.786 175.025 176.094 -0.472 0.000 1.022 1171 V CA -0.870 61.190 62.300 -0.400 0.000 0.830 1171 V CB -0.356 31.351 31.823 -0.193 0.000 1.012 1171 V HN 0.758 nan 8.190 nan 0.000 0.452 1172 Y N 2.679 122.851 120.300 -0.213 0.000 2.326 1172 Y HA 0.311 4.862 4.550 0.000 0.000 0.324 1172 Y C 0.920 176.879 175.900 0.098 0.000 1.291 1172 Y CA -0.406 57.624 58.100 -0.116 0.000 1.348 1172 Y CB 0.638 38.931 38.460 -0.278 0.000 1.294 1172 Y HN 0.543 nan 8.280 nan 0.000 0.525 1173 N N 1.587 120.499 118.700 0.354 0.000 2.399 1173 N HA 0.364 5.105 4.740 0.000 0.000 0.295 1173 N C -1.524 174.256 175.510 0.450 0.000 1.048 1173 N CA -0.238 53.008 53.050 0.327 0.000 0.886 1173 N CB 1.109 39.689 38.487 0.155 0.000 1.185 1173 N HN 0.606 nan 8.380 nan 0.000 0.487 1174 F N 0.316 120.360 119.950 0.158 0.000 2.706 1174 F HA 0.566 5.094 4.527 0.000 0.000 0.328 1174 F C -1.289 174.499 175.800 -0.022 0.000 1.123 1174 F CA -0.859 57.169 58.000 0.047 0.000 0.978 1174 F CB 1.332 40.298 39.000 -0.056 0.000 1.404 1174 F HN 0.289 nan 8.300 nan 0.000 0.497 1175 Q N 1.358 120.990 119.800 -0.280 0.000 2.372 1175 Q HA 0.399 4.740 4.340 0.000 0.000 0.273 1175 Q C -2.816 173.121 176.000 -0.105 0.000 1.078 1175 Q CA -2.329 53.249 55.803 -0.374 0.000 0.806 1175 Q CB 3.081 31.651 28.738 -0.279 0.000 1.332 1175 Q HN 0.380 nan 8.270 nan 0.000 0.435 1176 P HA 0.147 nan 4.420 nan 0.000 0.274 1176 P C -2.662 174.581 177.300 -0.095 0.000 1.470 1176 P CA -1.279 61.956 63.100 0.225 0.000 1.001 1176 P CB 0.598 32.412 31.700 0.190 0.000 1.332 1177 P HA 0.346 nan 4.420 nan 0.000 0.277 1177 P C -0.444 176.856 177.300 -0.000 0.000 1.271 1177 P CA -0.369 62.541 63.100 -0.317 0.000 0.795 1177 P CB 1.208 32.453 31.700 -0.758 0.000 1.101 1178 M N 0.123 119.760 119.600 0.061 0.000 2.520 1178 M HA 0.255 4.735 4.480 0.000 0.000 0.283 1178 M C -1.013 175.377 176.300 0.151 0.000 1.237 1178 M CA -0.681 54.754 55.300 0.225 0.000 0.885 1178 M CB 2.230 35.053 32.600 0.371 0.000 1.727 1178 M HN 0.093 nan 8.290 nan 0.000 0.468 1179 D N 3.662 124.165 120.400 0.173 0.000 2.671 1179 D HA 0.167 4.807 4.640 0.000 0.000 0.228 1179 D C 1.155 177.561 176.300 0.176 0.000 1.102 1179 D CA 0.250 54.344 54.000 0.155 0.000 1.044 1179 D CB -0.297 40.589 40.800 0.143 0.000 1.113 1179 D HN 0.632 nan 8.370 nan 0.000 0.480 1180 I N 0.751 121.434 120.570 0.189 0.000 2.194 1180 I HA -0.334 3.836 4.170 0.000 0.000 0.246 1180 I C 2.330 178.599 176.117 0.254 0.000 1.093 1180 I CA 0.712 62.147 61.300 0.224 0.000 1.355 1180 I CB 0.017 38.133 38.000 0.194 0.000 1.046 1180 I HN 0.183 nan 8.210 nan 0.000 0.413 1181 V N 0.807 120.832 119.914 0.185 0.000 2.469 1181 V HA -0.307 3.814 4.120 0.000 0.000 0.251 1181 V C 2.477 178.643 176.094 0.119 0.000 1.064 1181 V CA 1.914 64.295 62.300 0.135 0.000 1.066 1181 V CB -0.720 31.129 31.823 0.043 0.000 0.667 1181 V HN 0.445 nan 8.190 nan 0.000 0.461 1182 K N -0.140 120.336 120.400 0.126 0.000 2.116 1182 K HA -0.082 4.238 4.320 0.000 0.000 0.203 1182 K C 2.021 178.704 176.600 0.139 0.000 1.052 1182 K CA 1.064 57.411 56.287 0.101 0.000 0.952 1182 K CB 0.050 32.608 32.500 0.096 0.000 0.729 1182 K HN 0.354 nan 8.250 nan 0.000 0.446 1183 V N 1.517 121.567 119.914 0.228 0.000 2.427 1183 V HA -0.207 3.914 4.120 0.000 0.000 0.248 1183 V C 2.491 178.799 176.094 0.357 0.000 1.051 1183 V CA 1.923 64.430 62.300 0.344 0.000 1.048 1183 V CB -0.576 31.465 31.823 0.363 0.000 0.666 1183 V HN 0.394 nan 8.190 nan 0.000 0.456 1184 R N 1.419 122.102 120.500 0.305 0.000 2.075 1184 R HA -0.195 4.145 4.340 0.000 0.000 0.230 1184 R C 2.609 178.983 176.300 0.123 0.000 1.140 1184 R CA 2.248 58.501 56.100 0.255 0.000 0.928 1184 R CB -0.644 29.645 30.300 -0.019 0.000 0.834 1184 R HN 0.600 nan 8.270 nan 0.000 0.429 1185 S N -1.022 114.683 115.700 0.008 0.000 2.465 1185 S HA -0.123 4.347 4.470 0.000 0.000 0.241 1185 S C 1.641 176.213 174.600 -0.048 0.000 1.000 1185 S CA 1.674 59.849 58.200 -0.041 0.000 0.964 1185 S CB -0.348 62.818 63.200 -0.057 0.000 0.763 1185 S HN 0.487 nan 8.310 nan 0.000 0.512 1186 T N 0.134 114.644 114.554 -0.072 0.000 2.939 1186 T HA 0.199 4.549 4.350 0.000 0.000 0.254 1186 T C 1.017 175.446 174.700 -0.452 0.000 1.041 1186 T CA 1.077 62.986 62.100 -0.318 0.000 1.142 1186 T CB -0.241 68.320 68.868 -0.511 0.000 0.874 1186 T HN 0.648 nan 8.240 nan 0.000 0.452 1187 Y N -1.339 119.027 120.300 0.109 0.000 2.607 1187 Y HA 0.324 4.874 4.550 0.000 0.000 0.276 1187 Y C 0.840 176.816 175.900 0.128 0.000 1.117 1187 Y CA -1.586 56.571 58.100 0.094 0.000 1.273 1187 Y CB -0.009 38.492 38.460 0.068 0.000 1.282 1187 Y HN 0.125 nan 8.280 nan 0.000 0.514 1188 W N 5.169 126.544 121.300 0.124 0.000 2.568 1188 W HA -0.110 4.550 4.660 0.000 0.000 0.343 1188 W C -0.283 176.247 176.519 0.019 0.000 1.097 1188 W CA 0.897 58.266 57.345 0.040 0.000 1.171 1188 W CB 0.351 29.784 29.460 -0.045 0.000 1.142 1188 W HN 0.019 nan 8.180 nan 0.000 0.569 1189 K N 4.073 124.505 120.400 0.053 0.000 2.210 1189 K HA 0.179 4.499 4.320 0.000 0.000 0.236 1189 K C -0.286 176.391 176.600 0.128 0.000 1.016 1189 K CA -0.774 55.566 56.287 0.089 0.000 0.913 1189 K CB 0.492 32.997 32.500 0.009 0.000 1.141 1189 K HN 0.354 nan 8.250 nan 0.000 0.462 1190 D N 1.352 121.816 120.400 0.106 0.000 2.348 1190 D HA -0.034 4.606 4.640 0.000 0.000 0.253 1190 D C 1.059 177.398 176.300 0.065 0.000 1.161 1190 D CA 0.055 54.120 54.000 0.107 0.000 0.876 1190 D CB 1.378 42.220 40.800 0.070 0.000 1.160 1190 D HN 0.138 nan 8.370 nan 0.000 0.459 1191 V N 4.065 124.036 119.914 0.096 0.000 2.876 1191 V HA -0.309 3.812 4.120 0.000 0.000 0.265 1191 V C 2.021 178.106 176.094 -0.015 0.000 1.135 1191 V CA 2.746 65.090 62.300 0.073 0.000 1.152 1191 V CB -0.391 31.518 31.823 0.143 0.000 0.727 1191 V HN 0.656 nan 8.190 nan 0.000 0.511 1192 S N -1.017 114.683 115.700 -0.000 0.000 2.377 1192 S HA -0.087 4.384 4.470 0.000 0.000 0.223 1192 S C 1.659 176.239 174.600 -0.033 0.000 1.030 1192 S CA 1.001 59.189 58.200 -0.020 0.000 0.970 1192 S CB -0.414 62.786 63.200 0.000 0.000 0.830 1192 S HN 0.760 nan 8.310 nan 0.000 0.473 1193 E N 0.765 120.951 120.200 -0.022 0.000 2.511 1193 E HA 0.211 4.561 4.350 0.000 0.000 0.196 1193 E C -0.206 176.367 176.600 -0.045 0.000 1.066 1193 E CA 0.002 56.387 56.400 -0.024 0.000 0.871 1193 E CB -0.089 29.607 29.700 -0.007 0.000 0.863 1193 E HN 0.609 nan 8.360 nan 0.000 0.520 1194 I N 1.938 122.461 120.570 -0.079 0.000 2.395 1194 I HA 0.036 4.206 4.170 0.000 0.000 0.289 1194 I C 0.460 176.505 176.117 -0.120 0.000 1.023 1194 I CA -0.421 60.811 61.300 -0.114 0.000 1.350 1194 I CB 0.708 38.597 38.000 -0.184 0.000 1.409 1194 I HN -0.120 nan 8.210 nan 0.000 0.507 1195 N N 7.476 126.132 118.700 -0.072 0.000 2.462 1195 N HA 0.154 4.894 4.740 0.000 0.000 0.242 1195 N C 0.581 176.087 175.510 -0.007 0.000 1.010 1195 N CA -0.406 52.623 53.050 -0.034 0.000 0.939 1195 N CB 1.082 39.568 38.487 -0.001 0.000 1.127 1195 N HN 0.535 nan 8.380 nan 0.000 0.509 1196 M N 1.754 121.342 119.600 -0.020 0.000 2.460 1196 M HA -0.043 4.438 4.480 0.000 0.000 0.263 1196 M C 0.582 177.004 176.300 0.202 0.000 1.071 1196 M CA 0.656 56.007 55.300 0.084 0.000 1.096 1196 M CB -0.568 32.052 32.600 0.033 0.000 1.408 1196 M HN 0.392 nan 8.290 nan 0.000 0.463 1197 N N 0.372 119.152 118.700 0.134 0.000 2.398 1197 N HA 0.090 4.830 4.740 0.000 0.000 0.188 1197 N C 0.189 175.804 175.510 0.175 0.000 1.122 1197 N CA 0.370 53.510 53.050 0.150 0.000 0.866 1197 N CB 0.767 39.314 38.487 0.100 0.000 0.970 1197 N HN 0.242 nan 8.380 nan 0.000 0.462 1198 I N 1.980 122.658 120.570 0.180 0.000 2.304 1198 I HA 0.162 4.333 4.170 0.000 0.000 0.291 1198 I C -0.471 175.812 176.117 0.278 0.000 1.018 1198 I CA -0.480 60.924 61.300 0.175 0.000 1.260 1198 I CB 0.529 38.591 38.000 0.104 0.000 1.390 1198 I HN -0.169 nan 8.210 nan 0.000 0.475 1199 N N 6.357 125.233 118.700 0.293 0.000 2.444 1199 N HA 0.413 5.154 4.740 0.000 0.000 0.262 1199 N C -0.313 175.361 175.510 0.274 0.000 0.974 1199 N CA -0.581 52.732 53.050 0.438 0.000 0.933 1199 N CB 1.582 40.313 38.487 0.407 0.000 1.137 1199 N HN 0.402 nan 8.380 nan 0.000 0.498 1200 R N 1.981 122.685 120.500 0.339 0.000 2.360 1200 R HA 0.298 4.638 4.340 0.000 0.000 0.318 1200 R C -1.397 175.072 176.300 0.280 0.000 0.950 1200 R CA -0.735 55.489 56.100 0.208 0.000 0.837 1200 R CB 0.924 31.280 30.300 0.093 0.000 1.165 1200 R HN 0.629 nan 8.270 nan 0.000 0.458 1201 W N 7.411 128.705 121.300 -0.009 0.000 2.438 1201 W HA 0.500 5.161 4.660 0.000 0.000 0.324 1201 W C -0.770 175.712 176.519 -0.061 0.000 1.119 1201 W CA -0.559 56.774 57.345 -0.020 0.000 1.221 1201 W CB 0.756 30.127 29.460 -0.149 0.000 1.253 1201 W HN 0.491 nan 8.180 nan 0.000 0.555 1202 I N 4.362 124.505 120.570 -0.711 0.000 2.722 1202 I HA 0.996 5.166 4.170 0.000 0.000 0.295 1202 I C -0.001 175.361 176.117 -1.259 0.000 1.161 1202 I CA -0.739 60.151 61.300 -0.683 0.000 1.032 1202 I CB 1.769 39.558 38.000 -0.352 0.000 1.244 1202 I HN 0.737 nan 8.210 nan 0.000 0.421 1203 G N 4.712 113.017 108.800 -0.825 0.000 2.552 1203 G HA2 0.526 4.486 3.960 0.000 0.000 0.137 1203 G HA3 0.526 4.486 3.960 0.000 0.000 0.137 1203 G C -1.614 173.190 174.900 -0.159 0.000 1.135 1203 G CA -0.588 44.141 45.100 -0.618 0.000 1.047 1203 G HN 1.025 nan 8.290 nan 0.000 0.501 1204 R N -1.491 118.983 120.500 -0.043 0.000 2.733 1204 R HA 0.591 4.931 4.340 0.000 0.000 0.272 1204 R C -0.939 175.366 176.300 0.008 0.000 1.029 1204 R CA -0.542 55.562 56.100 0.007 0.000 0.888 1204 R CB 0.659 30.916 30.300 -0.072 0.000 1.251 1204 R HN 0.354 nan 8.270 nan 0.000 0.464 1205 T N 1.851 116.366 114.554 -0.066 0.000 4.729 1205 T HA 0.104 4.454 4.350 0.000 0.000 0.219 1205 T C -0.534 174.122 174.700 -0.074 0.000 0.849 1205 T CA 0.403 62.380 62.100 -0.205 0.000 0.968 1205 T CB -0.828 67.918 68.868 -0.203 0.000 1.436 1205 T HN 0.463 nan 8.240 nan 0.000 1.056 1206 T N 0.791 115.341 114.554 -0.007 0.000 2.886 1206 T HA 0.287 4.637 4.350 0.000 0.000 0.292 1206 T C 1.700 176.402 174.700 0.003 0.000 1.012 1206 T CA -0.932 61.109 62.100 -0.099 0.000 0.982 1206 T CB 1.823 70.344 68.868 -0.578 0.000 1.018 1206 T HN 0.392 nan 8.240 nan 0.000 0.451 1207 T N -0.402 114.193 114.554 0.069 0.000 2.699 1207 T HA -0.159 4.192 4.350 0.000 0.000 0.268 1207 T C 1.835 176.487 174.700 -0.079 0.000 1.036 1207 T CA 1.285 63.353 62.100 -0.054 0.000 1.147 1207 T CB -0.499 68.417 68.868 0.080 0.000 0.862 1207 T HN 0.877 nan 8.240 nan 0.000 0.446 1208 W N 1.380 122.663 121.300 -0.029 0.000 2.961 1208 W HA 0.284 4.945 4.660 0.000 0.000 0.240 1208 W C 0.734 177.187 176.519 -0.111 0.000 1.305 1208 W CA -0.215 57.073 57.345 -0.095 0.000 1.465 1208 W CB -0.543 28.889 29.460 -0.047 0.000 1.135 1208 W HN 0.109 nan 8.180 nan 0.000 0.688 1209 K N 0.840 121.067 120.400 -0.288 0.000 2.393 1209 K HA 0.096 4.417 4.320 0.000 0.000 0.193 1209 K C 1.492 178.153 176.600 0.103 0.000 1.026 1209 K CA 0.820 56.995 56.287 -0.187 0.000 1.064 1209 K CB -0.359 32.027 32.500 -0.190 0.000 0.833 1209 K HN 0.287 nan 8.250 nan 0.000 0.521 1210 G N 2.656 111.415 108.800 -0.069 0.000 2.225 1210 G HA2 -0.279 3.681 3.960 0.000 0.000 0.264 1210 G HA3 -0.279 3.681 3.960 0.000 0.000 0.264 1210 G C 0.499 175.271 174.900 -0.214 0.000 1.060 1210 G CA 0.468 45.464 45.100 -0.173 0.000 0.833 1210 G HN 0.410 nan 8.290 nan 0.000 0.498 1211 F N -2.413 117.297 119.950 -0.401 0.000 2.367 1211 F HA 0.209 4.736 4.527 0.000 0.000 0.298 1211 F C 2.201 177.562 175.800 -0.733 0.000 1.094 1211 F CA 0.770 58.124 58.000 -1.076 0.000 1.409 1211 F CB -0.487 37.758 39.000 -1.259 0.000 1.064 1211 F HN 0.226 nan 8.300 nan 0.000 0.528 1212 Y N 0.942 120.780 120.300 -0.770 0.000 2.181 1212 Y HA -0.220 4.330 4.550 0.000 0.000 0.288 1212 Y C 2.514 178.384 175.900 -0.049 0.000 1.146 1212 Y CA 1.313 59.268 58.100 -0.241 0.000 1.164 1212 Y CB -0.334 37.914 38.460 -0.353 0.000 0.982 1212 Y HN 0.097 nan 8.280 nan 0.000 0.515 1213 Q N -0.895 118.935 119.800 0.049 0.000 2.167 1213 Q HA -0.189 4.151 4.340 0.000 0.000 0.202 1213 Q C 2.186 178.272 176.000 0.144 0.000 0.970 1213 Q CA 1.373 57.286 55.803 0.184 0.000 0.855 1213 Q CB -0.297 28.572 28.738 0.218 0.000 0.911 1213 Q HN 0.409 nan 8.270 nan 0.000 0.438 1214 M N -0.789 118.716 119.600 -0.158 0.000 2.132 1214 M HA -0.076 4.404 4.480 0.000 0.000 0.263 1214 M C 1.039 177.331 176.300 -0.014 0.000 1.065 1214 M CA 1.421 56.583 55.300 -0.230 0.000 1.122 1214 M CB -0.230 31.884 32.600 -0.810 0.000 1.365 1214 M HN 0.136 nan 8.290 nan 0.000 0.411 1215 F N 0.487 120.433 119.950 -0.007 0.000 2.069 1215 F HA -0.212 4.315 4.527 0.000 0.000 0.298 1215 F C 2.386 178.309 175.800 0.206 0.000 1.113 1215 F CA 1.930 59.986 58.000 0.093 0.000 1.214 1215 F CB -1.462 37.595 39.000 0.096 0.000 0.978 1215 F HN 0.228 nan 8.300 nan 0.000 0.474 1216 D N -0.338 120.324 120.400 0.436 0.000 2.127 1216 D HA -0.281 4.359 4.640 0.000 0.000 0.190 1216 D C 2.221 178.778 176.300 0.428 0.000 1.000 1216 D CA 1.353 55.577 54.000 0.374 0.000 0.839 1216 D CB -0.618 40.401 40.800 0.365 0.000 0.955 1216 D HN 0.156 nan 8.370 nan 0.000 0.446 1217 F N 0.775 120.925 119.950 0.333 0.000 2.154 1217 F HA -0.198 4.330 4.527 0.001 0.000 0.301 1217 F C 2.411 178.396 175.800 0.308 0.000 1.087 1217 F CA 1.939 60.147 58.000 0.346 0.000 1.274 1217 F CB -0.568 38.672 39.000 0.400 0.000 1.009 1217 F HN 0.219 nan 8.300 nan 0.000 0.485 1218 H N 0.384 119.571 119.070 0.194 0.000 2.326 1218 H HA -0.147 4.409 4.556 0.001 0.000 0.301 1218 H C 2.123 177.457 175.328 0.010 0.000 1.081 1218 H CA 1.763 57.842 56.048 0.052 0.000 1.334 1218 H CB -0.215 29.617 29.762 0.116 0.000 1.385 1218 H HN 0.548 nan 8.280 nan 0.000 0.504 1219 E N 0.634 120.852 120.200 0.030 0.000 2.204 1219 E HA -0.119 4.231 4.350 0.000 0.000 0.194 1219 E C 1.827 178.329 176.600 -0.164 0.000 0.989 1219 E CA 0.955 57.302 56.400 -0.088 0.000 0.824 1219 E CB 0.010 29.738 29.700 0.046 0.000 0.756 1219 E HN 0.370 nan 8.360 nan 0.000 0.477 1220 K N -1.145 119.184 120.400 -0.119 0.000 2.308 1220 K HA 0.128 4.448 4.320 0.000 0.000 0.197 1220 K C 0.667 176.815 176.600 -0.754 0.000 1.049 1220 K CA 0.542 56.638 56.287 -0.318 0.000 0.991 1220 K CB 0.307 32.734 32.500 -0.121 0.000 0.836 1220 K HN 0.135 nan 8.250 nan 0.000 0.500 1221 F N -0.801 118.775 119.950 -0.624 0.000 2.334 1221 F HA 0.165 4.692 4.527 0.000 0.000 0.269 1221 F C 1.646 176.827 175.800 -1.033 0.000 0.879 1221 F CA -0.323 57.068 58.000 -1.015 0.000 1.102 1221 F CB -0.242 37.849 39.000 -1.514 0.000 1.032 1221 F HN -0.239 nan 8.300 nan 0.000 0.782 1222 L N 0.647 121.509 121.223 -0.603 0.000 2.017 1222 L HA -0.189 4.151 4.340 0.000 0.000 0.208 1222 L C 2.471 179.216 176.870 -0.208 0.000 1.073 1222 L CA 1.711 56.394 54.840 -0.262 0.000 0.745 1222 L CB -0.456 41.616 42.059 0.023 0.000 0.894 1222 L HN 0.138 nan 8.230 nan 0.000 0.432 1223 K N 0.155 120.290 120.400 -0.443 0.000 2.007 1223 K HA -0.120 4.200 4.320 0.000 0.000 0.206 1223 K C -0.433 176.035 176.600 -0.220 0.000 1.047 1223 K CA 1.077 57.130 56.287 -0.390 0.000 0.937 1223 K CB -0.779 31.331 32.500 -0.651 0.000 0.718 1223 K HN 0.110 nan 8.250 nan 0.000 0.438 1224 P HA -0.162 nan 4.420 nan 0.000 0.219 1224 P C 0.109 177.344 177.300 -0.109 0.000 1.144 1224 P CA 1.458 64.444 63.100 -0.190 0.000 0.806 1224 P CB 0.044 31.584 31.700 -0.266 0.000 0.771 1225 A N -1.462 121.310 122.820 -0.079 0.000 2.379 1225 A HA 0.523 4.843 4.320 0.000 0.000 0.236 1225 A C 1.481 179.102 177.584 0.062 0.000 1.272 1225 A CA 0.407 52.475 52.037 0.050 0.000 0.886 1225 A CB -0.975 18.168 19.000 0.239 0.000 0.962 1225 A HN 0.206 nan 8.150 nan 0.000 0.504 1226 G N -0.041 108.772 108.800 0.022 0.000 2.160 1226 G HA2 -0.236 3.725 3.960 0.000 0.000 0.251 1226 G HA3 -0.236 3.725 3.960 0.000 0.000 0.251 1226 G C 0.083 175.029 174.900 0.076 0.000 1.008 1226 G CA 0.492 45.617 45.100 0.042 0.000 0.724 1226 G HN 0.406 nan 8.290 nan 0.000 0.514 1227 K N 0.207 120.665 120.400 0.097 0.000 2.087 1227 K HA 0.668 4.988 4.320 0.000 0.000 0.255 1227 K C 0.127 176.834 176.600 0.178 0.000 0.988 1227 K CA -0.424 55.952 56.287 0.148 0.000 0.915 1227 K CB 1.524 34.142 32.500 0.197 0.000 1.043 1227 K HN 0.111 nan 8.250 nan 0.000 0.457 1228 S N 0.463 116.271 115.700 0.181 0.000 2.475 1228 S HA 0.404 4.874 4.470 0.000 0.000 0.298 1228 S C -0.536 174.152 174.600 0.148 0.000 1.119 1228 S CA -0.579 57.725 58.200 0.172 0.000 1.085 1228 S CB 1.337 64.602 63.200 0.107 0.000 1.028 1228 S HN 0.394 nan 8.310 nan 0.000 0.489 1229 T N 2.635 117.217 114.554 0.048 0.000 2.807 1229 T HA 0.565 4.915 4.350 0.000 0.000 0.279 1229 T C -0.751 173.882 174.700 -0.111 0.000 0.993 1229 T CA -0.438 61.603 62.100 -0.097 0.000 0.970 1229 T CB 1.163 69.788 68.868 -0.405 0.000 0.950 1229 T HN 0.329 nan 8.240 nan 0.000 0.441 1230 V N 4.614 124.501 119.914 -0.046 0.000 2.540 1230 V HA 0.510 4.631 4.120 0.000 0.000 0.302 1230 V C -0.432 175.668 176.094 0.009 0.000 1.035 1230 V CA -0.776 61.507 62.300 -0.029 0.000 0.873 1230 V CB 1.785 33.594 31.823 -0.024 0.000 0.992 1230 V HN 0.871 nan 8.190 nan 0.000 0.428 1231 M N 4.305 123.909 119.600 0.008 0.000 2.043 1231 M HA 0.464 4.944 4.480 0.000 0.000 0.322 1231 M C -0.416 175.981 176.300 0.162 0.000 0.962 1231 M CA -0.194 55.170 55.300 0.106 0.000 0.927 1231 M CB 1.374 33.852 32.600 -0.203 0.000 1.466 1231 M HN 0.590 nan 8.290 nan 0.000 0.412 1232 E N 1.382 121.706 120.200 0.207 0.000 2.197 1232 E HA 0.534 4.885 4.350 0.000 0.000 0.281 1232 E C 0.730 177.506 176.600 0.293 0.000 0.995 1232 E CA -0.113 56.362 56.400 0.126 0.000 0.808 1232 E CB 1.583 31.180 29.700 -0.172 0.000 1.093 1232 E HN 0.989 nan 8.360 nan 0.000 0.394 1233 G N 2.945 111.949 108.800 0.340 0.000 2.184 1233 G HA2 -0.222 3.738 3.960 0.000 0.000 0.206 1233 G HA3 -0.222 3.738 3.960 0.000 0.000 0.206 1233 G C 0.141 175.146 174.900 0.175 0.000 0.995 1233 G CA -0.620 44.647 45.100 0.277 0.000 0.651 1233 G HN 0.464 nan 8.290 nan 0.000 0.511 1234 L N 3.008 124.341 121.223 0.184 0.000 2.401 1234 L HA 0.285 4.625 4.340 0.000 0.000 0.283 1234 L C 1.198 178.231 176.870 0.271 0.000 1.151 1234 L CA -0.602 54.341 54.840 0.173 0.000 0.942 1234 L CB 0.235 42.387 42.059 0.154 0.000 1.283 1234 L HN 0.465 nan 8.230 nan 0.000 0.442 1235 E N 4.452 124.762 120.200 0.183 0.000 2.408 1235 E HA 0.082 4.433 4.350 0.000 0.000 0.259 1235 E C -0.286 176.446 176.600 0.220 0.000 1.110 1235 E CA -0.525 55.983 56.400 0.180 0.000 0.929 1235 E CB 0.815 30.567 29.700 0.088 0.000 0.971 1235 E HN 0.389 nan 8.360 nan 0.000 0.438 1236 R N 0.571 121.127 120.500 0.093 0.000 2.623 1236 R HA 0.236 4.576 4.340 0.000 0.000 0.271 1236 R C 0.056 176.371 176.300 0.026 0.000 1.043 1236 R CA 0.305 56.335 56.100 -0.117 0.000 1.083 1236 R CB 0.526 30.705 30.300 -0.202 0.000 0.974 1236 R HN 0.645 nan 8.270 nan 0.000 0.436 1237 S N 1.827 117.586 115.700 0.098 0.000 2.552 1237 S HA 0.295 4.765 4.470 0.000 0.000 0.272 1237 S C -2.376 172.301 174.600 0.129 0.000 1.150 1237 S CA -1.351 56.916 58.200 0.111 0.000 0.849 1237 S CB 1.669 64.934 63.200 0.108 0.000 1.113 1237 S HN 0.323 nan 8.310 nan 0.000 0.458 1238 P HA 0.064 nan 4.420 nan 0.000 0.221 1238 P C 1.216 178.569 177.300 0.088 0.000 1.145 1238 P CA 1.352 64.494 63.100 0.070 0.000 0.795 1238 P CB -0.061 31.670 31.700 0.052 0.000 0.775 1239 A N -1.731 121.134 122.820 0.075 0.000 2.178 1239 A HA -0.133 4.188 4.320 0.000 0.000 0.218 1239 A C 1.683 179.240 177.584 -0.046 0.000 1.157 1239 A CA 0.971 53.026 52.037 0.031 0.000 0.689 1239 A CB -1.668 17.317 19.000 -0.025 0.000 0.787 1239 A HN 0.137 nan 8.150 nan 0.000 0.465 1240 F N -0.628 119.267 119.950 -0.092 0.000 2.661 1240 F HA 0.113 4.641 4.527 0.000 0.000 0.298 1240 F C 1.823 177.605 175.800 -0.031 0.000 1.137 1240 F CA 0.527 58.451 58.000 -0.127 0.000 1.454 1240 F CB -0.091 38.793 39.000 -0.194 0.000 1.103 1240 F HN 0.160 nan 8.300 nan 0.000 0.577 1241 I N -0.726 119.931 120.570 0.146 0.000 2.286 1241 I HA -0.252 3.919 4.170 0.000 0.000 0.245 1241 I C 2.577 178.754 176.117 0.100 0.000 1.104 1241 I CA 1.123 62.489 61.300 0.110 0.000 1.397 1241 I CB -0.529 37.519 38.000 0.080 0.000 1.072 1241 I HN 0.073 nan 8.210 nan 0.000 0.417 1242 A N 0.937 123.818 122.820 0.102 0.000 1.898 1242 A HA -0.125 4.195 4.320 0.000 0.000 0.216 1242 A C 2.283 179.955 177.584 0.147 0.000 1.181 1242 A CA 1.238 53.352 52.037 0.128 0.000 0.620 1242 A CB -0.721 18.387 19.000 0.180 0.000 0.819 1242 A HN 0.337 nan 8.150 nan 0.000 0.442 1243 I N 0.178 120.808 120.570 0.100 0.000 2.127 1243 I HA -0.326 3.845 4.170 0.000 0.000 0.241 1243 I C 2.620 178.783 176.117 0.076 0.000 1.075 1243 I CA 2.077 63.402 61.300 0.040 0.000 1.334 1243 I CB -0.291 37.534 38.000 -0.291 0.000 1.040 1243 I HN 0.482 nan 8.210 nan 0.000 0.405 1244 K N 1.414 121.899 120.400 0.141 0.000 2.026 1244 K HA -0.279 4.041 4.320 0.000 0.000 0.208 1244 K C 2.008 178.662 176.600 0.089 0.000 1.048 1244 K CA 2.084 58.469 56.287 0.163 0.000 0.929 1244 K CB -0.259 32.350 32.500 0.181 0.000 0.713 1244 K HN 0.147 nan 8.250 nan 0.000 0.439 1245 E N 0.920 121.169 120.200 0.081 0.000 2.130 1245 E HA -0.157 4.194 4.350 0.000 0.000 0.196 1245 E C 1.217 177.845 176.600 0.046 0.000 0.998 1245 E CA 1.698 58.132 56.400 0.057 0.000 0.806 1245 E CB 0.129 29.865 29.700 0.059 0.000 0.738 1245 E HN 0.342 nan 8.360 nan 0.000 0.459 1246 K N -1.304 119.129 120.400 0.055 0.000 2.505 1246 K HA 0.120 4.440 4.320 0.000 0.000 0.192 1246 K C 0.926 177.541 176.600 0.025 0.000 1.025 1246 K CA 0.450 56.760 56.287 0.037 0.000 1.086 1246 K CB 0.404 32.935 32.500 0.051 0.000 0.840 1246 K HN 0.296 nan 8.250 nan 0.000 0.514 1247 G N 2.026 110.843 108.800 0.027 0.000 2.168 1247 G HA2 -0.282 3.678 3.960 0.000 0.000 0.263 1247 G HA3 -0.282 3.678 3.960 0.000 0.000 0.263 1247 G C 0.194 175.096 174.900 0.003 0.000 0.977 1247 G CA -0.105 45.004 45.100 0.014 0.000 0.659 1247 G HN 0.312 nan 8.290 nan 0.000 0.533 1248 I N 3.145 123.708 120.570 -0.013 0.000 2.517 1248 I HA 0.204 4.375 4.170 0.000 0.000 0.285 1248 I C -1.185 174.916 176.117 -0.027 0.000 1.106 1248 I CA -1.547 59.695 61.300 -0.097 0.000 1.402 1248 I CB 0.743 38.552 38.000 -0.318 0.000 1.399 1248 I HN 0.010 nan 8.210 nan 0.000 0.535 1249 P HA 0.327 nan 4.420 nan 0.000 0.282 1249 P C -1.509 175.866 177.300 0.125 0.000 1.249 1249 P CA -0.083 63.025 63.100 0.012 0.000 0.806 1249 P CB 1.227 32.933 31.700 0.009 0.000 0.984 1250 Y N -2.592 117.727 120.300 0.032 0.000 2.702 1250 Y HA 0.543 5.093 4.550 0.000 0.000 0.336 1250 Y C -1.603 174.380 175.900 0.139 0.000 1.203 1250 Y CA -1.145 57.028 58.100 0.122 0.000 1.072 1250 Y CB 0.856 39.424 38.460 0.180 0.000 1.327 1250 Y HN 0.267 nan 8.280 nan 0.000 0.456 1251 E N 1.702 122.076 120.200 0.289 0.000 2.220 1251 E HA 0.241 4.591 4.350 0.000 0.000 0.256 1251 E C -2.018 174.754 176.600 0.288 0.000 0.881 1251 E CA -0.853 55.632 56.400 0.141 0.000 0.766 1251 E CB 1.905 31.718 29.700 0.188 0.000 1.187 1251 E HN 0.599 nan 8.360 nan 0.000 0.419 1252 Y N 2.533 122.860 120.300 0.046 0.000 2.309 1252 Y HA 0.240 4.790 4.550 0.000 0.000 0.327 1252 Y C -1.056 174.691 175.900 -0.255 0.000 1.172 1252 Y CA 0.172 58.317 58.100 0.075 0.000 1.280 1252 Y CB 0.539 39.037 38.460 0.065 0.000 1.234 1252 Y HN 0.423 nan 8.280 nan 0.000 0.512 1253 Y N 2.576 122.728 120.300 -0.246 0.000 2.421 1253 Y HA 0.499 5.049 4.550 0.000 0.000 0.339 1253 Y C 0.495 176.297 175.900 -0.163 0.000 0.996 1253 Y CA -1.121 56.911 58.100 -0.113 0.000 1.046 1253 Y CB 1.748 40.160 38.460 -0.081 0.000 1.226 1253 Y HN 0.763 nan 8.280 nan 0.000 0.445 1254 G N 1.270 110.134 108.800 0.107 0.000 2.539 1254 G HA2 -0.006 3.954 3.960 0.000 0.000 0.258 1254 G HA3 -0.006 3.954 3.960 0.000 0.000 0.258 1254 G C 0.703 175.646 174.900 0.072 0.000 1.202 1254 G CA -0.460 44.688 45.100 0.080 0.000 0.851 1254 G HN 0.734 nan 8.290 nan 0.000 0.556 1255 N N 0.029 118.759 118.700 0.049 0.000 2.443 1255 N HA -0.084 4.656 4.740 0.000 0.000 0.184 1255 N C 2.150 177.686 175.510 0.043 0.000 1.037 1255 N CA 0.500 53.576 53.050 0.042 0.000 0.896 1255 N CB 0.049 38.558 38.487 0.037 0.000 0.959 1255 N HN 0.530 nan 8.380 nan 0.000 0.442 1256 R N 0.102 120.632 120.500 0.049 0.000 2.236 1256 R HA 0.018 4.358 4.340 0.000 0.000 0.208 1256 R C 0.610 176.943 176.300 0.056 0.000 1.036 1256 R CA 0.755 56.882 56.100 0.045 0.000 1.001 1256 R CB 0.206 30.530 30.300 0.041 0.000 0.896 1256 R HN 0.222 nan 8.270 nan 0.000 0.464 1257 E N 0.180 120.432 120.200 0.087 0.000 2.499 1257 E HA 0.084 4.434 4.350 0.000 0.000 0.199 1257 E C 0.985 177.639 176.600 0.089 0.000 1.016 1257 E CA -0.182 56.291 56.400 0.122 0.000 0.933 1257 E CB 0.213 30.044 29.700 0.218 0.000 1.050 1257 E HN 0.207 nan 8.360 nan 0.000 0.462 1258 I N 2.169 122.759 120.570 0.032 0.000 2.229 1258 I HA -0.377 3.793 4.170 0.000 0.000 0.250 1258 I C 1.533 177.605 176.117 -0.075 0.000 1.096 1258 I CA 1.933 63.210 61.300 -0.039 0.000 1.358 1258 I CB 0.132 38.118 38.000 -0.024 0.000 1.047 1258 I HN 0.254 nan 8.210 nan 0.000 0.422 1259 D N -0.142 120.242 120.400 -0.027 0.000 2.317 1259 D HA -0.175 4.466 4.640 0.000 0.000 0.211 1259 D C 1.422 177.706 176.300 -0.026 0.000 0.966 1259 D CA 0.491 54.474 54.000 -0.028 0.000 0.876 1259 D CB -0.293 40.505 40.800 -0.003 0.000 0.927 1259 D HN 0.320 nan 8.370 nan 0.000 0.519 1260 K N 0.181 120.584 120.400 0.005 0.000 2.487 1260 K HA 0.177 4.497 4.320 0.000 0.000 0.192 1260 K C 0.936 177.534 176.600 -0.004 0.000 1.027 1260 K CA -0.142 56.187 56.287 0.070 0.000 1.054 1260 K CB 0.018 32.639 32.500 0.201 0.000 0.824 1260 K HN 0.341 nan 8.250 nan 0.000 0.510 1261 M N 1.080 120.495 119.600 -0.308 0.000 2.245 1261 M HA 0.004 4.484 4.480 0.000 0.000 0.344 1261 M C 0.417 176.607 176.300 -0.183 0.000 1.170 1261 M CA 0.354 55.317 55.300 -0.562 0.000 1.135 1261 M CB 0.233 32.460 32.600 -0.622 0.000 1.574 1261 M HN 0.010 nan 8.290 nan 0.000 0.452 1262 N N 3.659 122.311 118.700 -0.081 0.000 2.462 1262 N HA 0.254 4.994 4.740 0.000 0.000 0.242 1262 N C -0.355 175.153 175.510 -0.002 0.000 1.010 1262 N CA -0.348 52.705 53.050 0.005 0.000 0.939 1262 N CB 0.604 39.134 38.487 0.072 0.000 1.127 1262 N HN 0.677 nan 8.380 nan 0.000 0.509 1263 L N 2.792 124.010 121.223 -0.009 0.000 2.783 1263 L HA 0.318 4.659 4.340 0.000 0.000 0.236 1263 L C 0.815 177.705 176.870 0.033 0.000 1.225 1263 L CA -0.335 54.509 54.840 0.007 0.000 1.026 1263 L CB -0.233 41.822 42.059 -0.007 0.000 1.314 1263 L HN 0.471 nan 8.230 nan 0.000 0.489 1264 A N 0.262 123.105 122.820 0.039 0.000 2.257 1264 A HA 0.657 4.977 4.320 0.000 0.000 0.289 1264 A C -2.338 175.282 177.584 0.061 0.000 1.095 1264 A CA -1.179 50.884 52.037 0.044 0.000 0.836 1264 A CB 0.064 19.087 19.000 0.038 0.000 1.111 1264 A HN -0.016 nan 8.150 nan 0.000 0.497 1265 P HA 0.278 nan 4.420 nan 0.000 0.274 1265 P C -0.058 177.275 177.300 0.054 0.000 1.246 1265 P CA 0.064 63.200 63.100 0.060 0.000 0.795 1265 P CB 0.325 32.051 31.700 0.044 0.000 1.006 1266 N N -1.663 117.066 118.700 0.048 0.000 2.782 1266 N HA -0.165 4.576 4.740 0.000 0.000 0.251 1266 N C -0.609 174.940 175.510 0.065 0.000 1.101 1266 N CA 0.912 53.982 53.050 0.034 0.000 0.764 1266 N CB -0.935 37.563 38.487 0.018 0.000 1.122 1266 N HN 0.347 nan 8.380 nan 0.000 0.561 1267 Q N -0.073 119.794 119.800 0.111 0.000 2.215 1267 Q HA 0.534 4.875 4.340 0.000 0.000 0.256 1267 Q C -2.167 173.968 176.000 0.225 0.000 0.972 1267 Q CA -1.394 54.489 55.803 0.134 0.000 0.889 1267 Q CB 1.133 29.944 28.738 0.122 0.000 1.281 1267 Q HN 0.245 nan 8.270 nan 0.000 0.456 1268 P HA 0.168 nan 4.420 nan 0.000 0.277 1268 P C -0.931 176.485 177.300 0.194 0.000 1.271 1268 P CA -0.392 62.867 63.100 0.265 0.000 0.795 1268 P CB 0.462 32.264 31.700 0.170 0.000 1.101 1269 A N 1.590 124.485 122.820 0.125 0.000 2.567 1269 A HA 0.002 4.323 4.320 0.000 0.000 0.240 1269 A C 0.515 178.197 177.584 0.164 0.000 1.053 1269 A CA 0.271 52.303 52.037 -0.008 0.000 0.755 1269 A CB -0.653 18.466 19.000 0.198 0.000 0.978 1269 A HN 0.380 nan 8.150 nan 0.000 0.507 1270 Q N 2.116 121.967 119.800 0.085 0.000 2.360 1270 Q HA 0.336 4.677 4.340 0.000 0.000 0.254 1270 Q C -0.486 175.593 176.000 0.132 0.000 0.975 1270 Q CA -0.230 55.666 55.803 0.156 0.000 0.912 1270 Q CB 1.084 29.819 28.738 -0.005 0.000 1.212 1270 Q HN 0.567 nan 8.270 nan 0.000 0.452 1271 I N 3.504 124.224 120.570 0.251 0.000 2.353 1271 I HA 0.322 4.493 4.170 0.000 0.000 0.293 1271 I C -0.008 176.080 176.117 -0.048 0.000 0.992 1271 I CA -1.056 60.308 61.300 0.107 0.000 1.268 1271 I CB 0.878 38.988 38.000 0.183 0.000 1.387 1271 I HN 0.396 nan 8.210 nan 0.000 0.478 1272 L N 6.888 128.058 121.223 -0.090 0.000 2.333 1272 L HA 0.431 4.772 4.340 0.000 0.000 0.280 1272 L C 0.668 177.464 176.870 -0.124 0.000 1.004 1272 L CA -0.213 54.556 54.840 -0.118 0.000 0.820 1272 L CB 1.002 43.044 42.059 -0.028 0.000 1.247 1272 L HN 0.640 nan 8.230 nan 0.000 0.416 1273 D N 2.947 123.214 120.400 -0.221 0.000 2.074 1273 D HA -0.068 4.572 4.640 0.000 0.000 0.221 1273 D C -0.039 176.293 176.300 0.054 0.000 0.972 1273 D CA 0.766 54.745 54.000 -0.035 0.000 0.901 1273 D CB -0.457 40.394 40.800 0.085 0.000 1.047 1273 D HN 0.458 nan 8.370 nan 0.000 0.453 1274 C N 0.614 119.932 119.300 0.030 0.000 2.319 1274 C HA 0.611 5.071 4.460 0.000 0.000 0.335 1274 C C -0.587 174.394 174.990 -0.015 0.000 1.274 1274 C CA -0.858 58.135 59.018 -0.041 0.000 1.806 1274 C CB -0.454 27.251 27.740 -0.058 0.000 2.329 1274 C HN 0.458 nan 8.230 nan 0.000 0.524 1275 Y N 1.950 122.221 120.300 -0.049 0.000 2.509 1275 Y HA 0.783 5.333 4.550 0.001 0.000 0.341 1275 Y C -0.411 175.431 175.900 -0.096 0.000 1.038 1275 Y CA -1.911 56.149 58.100 -0.066 0.000 1.089 1275 Y CB 0.396 38.812 38.460 -0.073 0.000 1.241 1275 Y HN 0.380 nan 8.280 nan 0.000 0.468 1276 I N 3.856 124.487 120.570 0.102 0.000 2.452 1276 I HA -0.029 4.142 4.170 0.000 0.000 0.287 1276 I C 1.400 177.574 176.117 0.095 0.000 1.079 1276 I CA 0.217 61.522 61.300 0.008 0.000 1.387 1276 I CB 0.685 38.696 38.000 0.018 0.000 1.404 1276 I HN 0.965 nan 8.210 nan 0.000 0.522 1277 N N 4.276 122.937 118.700 -0.065 0.000 2.192 1277 N HA -0.212 4.528 4.740 0.000 0.000 0.188 1277 N C 1.698 177.199 175.510 -0.015 0.000 1.013 1277 N CA 2.033 55.074 53.050 -0.015 0.000 0.863 1277 N CB 0.449 38.753 38.487 -0.305 0.000 0.990 1277 N HN 0.741 nan 8.380 nan 0.000 0.430 1278 S N -0.413 115.289 115.700 0.004 0.000 2.414 1278 S HA 0.013 4.483 4.470 0.000 0.000 0.227 1278 S C 1.698 176.296 174.600 -0.003 0.000 1.022 1278 S CA 0.470 58.699 58.200 0.049 0.000 0.958 1278 S CB -0.157 63.144 63.200 0.168 0.000 0.797 1278 S HN 0.327 nan 8.310 nan 0.000 0.493 1279 E N 0.558 120.768 120.200 0.016 0.000 2.150 1279 E HA -0.041 4.309 4.350 0.000 0.000 0.193 1279 E C 2.125 178.681 176.600 -0.073 0.000 0.985 1279 E CA 1.028 57.431 56.400 0.004 0.000 0.814 1279 E CB -0.198 29.517 29.700 0.026 0.000 0.752 1279 E HN 0.461 nan 8.360 nan 0.000 0.466 1280 M N 0.830 120.363 119.600 -0.112 0.000 2.099 1280 M HA -0.123 4.357 4.480 0.000 0.000 0.262 1280 M C 2.020 178.145 176.300 -0.292 0.000 1.067 1280 M CA 1.426 56.564 55.300 -0.270 0.000 1.124 1280 M CB -0.362 31.922 32.600 -0.527 0.000 1.353 1280 M HN 0.137 nan 8.290 nan 0.000 0.410 1281 L N 0.394 121.398 121.223 -0.366 0.000 2.079 1281 L HA -0.236 4.105 4.340 0.000 0.000 0.210 1281 L C 2.495 179.059 176.870 -0.510 0.000 1.081 1281 L CA 1.689 56.182 54.840 -0.579 0.000 0.752 1281 L CB -0.836 40.543 42.059 -1.134 0.000 0.896 1281 L HN 0.316 nan 8.230 nan 0.000 0.433 1282 E N 0.748 120.742 120.200 -0.344 0.000 2.031 1282 E HA -0.205 4.145 4.350 0.000 0.000 0.193 1282 E C 2.261 178.833 176.600 -0.047 0.000 0.994 1282 E CA 1.531 57.925 56.400 -0.010 0.000 0.800 1282 E CB -0.050 29.713 29.700 0.106 0.000 0.752 1282 E HN 0.245 nan 8.360 nan 0.000 0.447 1283 R N -0.642 119.803 120.500 -0.090 0.000 2.096 1283 R HA -0.109 4.231 4.340 0.000 0.000 0.235 1283 R C 2.361 178.604 176.300 -0.094 0.000 1.127 1283 R CA 1.583 57.633 56.100 -0.084 0.000 0.968 1283 R CB -0.392 29.845 30.300 -0.105 0.000 0.861 1283 R HN 0.280 nan 8.270 nan 0.000 0.440 1284 M N 1.036 120.554 119.600 -0.136 0.000 2.200 1284 M HA -0.100 4.381 4.480 0.000 0.000 0.265 1284 M C 2.102 178.335 176.300 -0.112 0.000 1.066 1284 M CA 1.724 56.950 55.300 -0.124 0.000 1.127 1284 M CB -0.150 32.356 32.600 -0.158 0.000 1.379 1284 M HN 0.070 nan 8.290 nan 0.000 0.420 1285 S N -0.821 114.813 115.700 -0.111 0.000 2.442 1285 S HA -0.120 4.350 4.470 0.000 0.000 0.236 1285 S C 1.637 176.176 174.600 -0.103 0.000 1.007 1285 S CA 1.109 59.242 58.200 -0.113 0.000 0.965 1285 S CB -0.601 62.589 63.200 -0.016 0.000 0.773 1285 S HN 0.643 nan 8.310 nan 0.000 0.504 1286 K N 0.938 121.299 120.400 -0.065 0.000 2.399 1286 K HA 0.341 4.661 4.320 0.000 0.000 0.204 1286 K C -0.362 176.212 176.600 -0.043 0.000 1.023 1286 K CA -0.167 56.090 56.287 -0.051 0.000 1.127 1286 K CB 0.744 33.227 32.500 -0.029 0.000 0.856 1286 K HN 0.168 nan 8.250 nan 0.000 0.514 1287 S N -0.299 115.375 115.700 -0.043 0.000 2.578 1287 S HA 0.262 4.732 4.470 0.000 0.000 0.283 1287 S C 1.186 175.784 174.600 -0.003 0.000 1.195 1287 S CA -0.725 57.476 58.200 0.001 0.000 1.050 1287 S CB 1.686 64.897 63.200 0.019 0.000 1.012 1287 S HN 0.405 nan 8.310 nan 0.000 0.511 1288 G N 1.361 110.198 108.800 0.061 0.000 2.404 1288 G HA2 0.061 4.021 3.960 0.000 0.000 0.214 1288 G HA3 0.061 4.021 3.960 0.000 0.000 0.214 1288 G C -0.242 174.492 174.900 -0.278 0.000 1.189 1288 G CA 0.776 45.868 45.100 -0.012 0.000 0.789 1288 G HN 0.534 nan 8.290 nan 0.000 0.533 1289 F N 0.031 120.084 119.950 0.172 0.000 2.562 1289 F HA 0.601 5.128 4.527 0.000 0.000 0.319 1289 F C 0.404 176.297 175.800 0.154 0.000 1.154 1289 F CA -1.317 56.735 58.000 0.087 0.000 0.931 1289 F CB 1.899 40.923 39.000 0.039 0.000 1.198 1289 F HN 0.168 nan 8.300 nan 0.000 0.444 1290 G N 2.214 111.091 108.800 0.128 0.000 2.348 1290 G HA2 0.528 4.488 3.960 0.000 0.000 0.312 1290 G HA3 0.528 4.488 3.960 0.000 0.000 0.312 1290 G C -1.644 173.352 174.900 0.161 0.000 1.126 1290 G CA -0.387 44.832 45.100 0.198 0.000 0.865 1290 G HN 0.552 nan 8.290 nan 0.000 0.474 1291 Y N 0.430 120.794 120.300 0.107 0.000 2.409 1291 Y HA 0.536 5.086 4.550 0.000 0.000 0.339 1291 Y C 0.340 176.200 175.900 -0.066 0.000 1.033 1291 Y CA -1.001 57.167 58.100 0.114 0.000 1.094 1291 Y CB 2.620 41.216 38.460 0.227 0.000 1.210 1291 Y HN 0.275 nan 8.280 nan 0.000 0.456 1292 Q N 3.950 123.851 119.800 0.168 0.000 2.589 1292 Q HA 0.317 4.657 4.340 0.000 0.000 0.245 1292 Q C -1.292 174.763 176.000 0.091 0.000 0.931 1292 Q CA -0.136 55.618 55.803 -0.082 0.000 0.730 1292 Q CB 1.349 30.043 28.738 -0.073 0.000 1.315 1292 Q HN 0.922 nan 8.270 nan 0.000 0.469 1293 L N 1.561 122.809 121.223 0.041 0.000 3.034 1293 L HA 0.321 4.662 4.340 0.000 0.000 0.245 1293 L C 0.314 177.134 176.870 -0.085 0.000 1.295 1293 L CA -0.270 54.648 54.840 0.130 0.000 1.068 1293 L CB 0.578 42.697 42.059 0.100 0.000 1.426 1293 L HN 0.241 nan 8.230 nan 0.000 0.531 1294 S N 2.471 118.145 115.700 -0.044 0.000 2.516 1294 S HA 0.141 4.612 4.470 0.000 0.000 0.282 1294 S C 0.377 174.935 174.600 -0.070 0.000 1.286 1294 S CA -0.238 57.956 58.200 -0.010 0.000 1.066 1294 S CB 0.335 63.584 63.200 0.083 0.000 0.884 1294 S HN 0.256 nan 8.310 nan 0.000 0.491 1295 K N 3.988 124.253 120.400 -0.225 0.000 2.389 1295 K HA 0.403 4.723 4.320 0.000 0.000 0.261 1295 K C -1.173 175.413 176.600 -0.023 0.000 1.014 1295 K CA -0.343 55.780 56.287 -0.273 0.000 0.920 1295 K CB 0.538 32.654 32.500 -0.639 0.000 1.149 1295 K HN 0.428 nan 8.250 nan 0.000 0.444 1296 L N 2.575 123.805 121.223 0.011 0.000 2.309 1296 L HA 0.261 4.602 4.340 0.000 0.000 0.282 1296 L C 0.695 177.543 176.870 -0.036 0.000 1.036 1296 L CA -0.782 54.005 54.840 -0.089 0.000 0.806 1296 L CB 1.372 43.319 42.059 -0.186 0.000 1.220 1296 L HN 0.683 nan 8.230 nan 0.000 0.429 1297 N N 2.087 120.761 118.700 -0.044 0.000 2.292 1297 N HA -0.132 4.609 4.740 0.000 0.000 0.242 1297 N C 0.523 175.957 175.510 -0.127 0.000 1.243 1297 N CA 0.569 53.566 53.050 -0.087 0.000 0.851 1297 N CB 0.869 39.245 38.487 -0.185 0.000 1.093 1297 N HN 0.661 nan 8.380 nan 0.000 0.450 1298 Q N 1.790 121.518 119.800 -0.121 0.000 2.488 1298 Q HA -0.085 4.255 4.340 0.000 0.000 0.211 1298 Q C 1.299 177.203 176.000 -0.159 0.000 0.967 1298 Q CA 0.835 56.578 55.803 -0.101 0.000 0.926 1298 Q CB 0.215 28.916 28.738 -0.061 0.000 0.992 1298 Q HN 0.613 nan 8.270 nan 0.000 0.506 1299 K N -1.577 118.632 120.400 -0.317 0.000 2.314 1299 K HA -0.058 4.262 4.320 0.000 0.000 0.198 1299 K C 0.276 176.682 176.600 -0.323 0.000 1.045 1299 K CA 0.631 56.688 56.287 -0.383 0.000 0.988 1299 K CB 0.215 32.373 32.500 -0.571 0.000 0.783 1299 K HN 0.145 nan 8.250 nan 0.000 0.484 1300 Y N 1.531 121.789 120.300 -0.070 0.000 2.507 1300 Y HA 0.389 4.939 4.550 0.000 0.000 0.254 1300 Y C 0.248 176.077 175.900 -0.118 0.000 1.171 1300 Y CA -0.784 57.267 58.100 -0.080 0.000 1.238 1300 Y CB 0.315 38.699 38.460 -0.127 0.000 1.148 1300 Y HN -0.122 nan 8.280 nan 0.000 0.525 1301 L N 0.302 121.523 121.223 -0.004 0.000 2.317 1301 L HA 0.413 4.753 4.340 0.000 0.000 0.281 1301 L C 0.589 177.456 176.870 -0.004 0.000 1.024 1301 L CA 0.014 54.837 54.840 -0.028 0.000 0.810 1301 L CB 2.246 44.282 42.059 -0.039 0.000 1.240 1301 L HN 0.109 nan 8.230 nan 0.000 0.427 1302 Q N 0.889 120.691 119.800 0.004 0.000 2.299 1302 Q HA 0.250 4.591 4.340 0.000 0.000 0.170 1302 Q C 0.867 176.890 176.000 0.037 0.000 0.664 1302 Q CA -0.026 55.789 55.803 0.020 0.000 0.895 1302 Q CB 0.910 29.662 28.738 0.023 0.000 1.203 1302 Q HN 0.613 nan 8.270 nan 0.000 0.382 1303 R N -0.862 119.652 120.500 0.024 0.000 2.532 1303 R HA 0.337 4.677 4.340 0.000 0.000 0.312 1303 R C -0.541 175.778 176.300 0.031 0.000 0.923 1303 R CA 0.048 56.185 56.100 0.062 0.000 1.115 1303 R CB 1.564 31.857 30.300 -0.013 0.000 1.703 1303 R HN -0.109 nan 8.270 nan 0.000 0.498 1304 S N 2.169 117.849 115.700 -0.034 0.000 2.422 1304 S HA 0.319 4.789 4.470 0.000 0.000 0.283 1304 S C 0.060 174.622 174.600 -0.064 0.000 1.163 1304 S CA -0.148 58.007 58.200 -0.075 0.000 1.054 1304 S CB 0.461 63.620 63.200 -0.068 0.000 0.967 1304 S HN 0.131 nan 8.310 nan 0.000 0.499 1305 L N 3.067 124.272 121.223 -0.029 0.000 2.454 1305 L HA 0.427 4.767 4.340 0.000 0.000 0.256 1305 L C 0.731 177.600 176.870 -0.001 0.000 1.136 1305 L CA -0.642 54.193 54.840 -0.008 0.000 0.804 1305 L CB 0.711 42.743 42.059 -0.045 0.000 1.181 1305 L HN 0.536 nan 8.230 nan 0.000 0.469 1306 E N -0.518 119.786 120.200 0.172 0.000 2.250 1306 E HA 0.132 4.483 4.350 0.000 0.000 0.265 1306 E C -0.051 176.478 176.600 -0.119 0.000 1.033 1306 E CA -0.508 55.858 56.400 -0.058 0.000 0.888 1306 E CB 0.940 30.597 29.700 -0.072 0.000 1.151 1306 E HN 0.360 nan 8.360 nan 0.000 0.412 1307 Y N 0.699 121.027 120.300 0.047 0.000 2.207 1307 Y HA -0.259 4.291 4.550 0.000 0.000 0.287 1307 Y C 2.777 178.692 175.900 0.024 0.000 1.156 1307 Y CA 1.826 59.963 58.100 0.061 0.000 1.182 1307 Y CB -0.407 38.104 38.460 0.085 0.000 0.979 1307 Y HN 0.629 nan 8.280 nan 0.000 0.521 1308 T N -3.147 111.445 114.554 0.063 0.000 2.881 1308 T HA -0.229 4.121 4.350 0.000 0.000 0.270 1308 T C 1.320 175.980 174.700 -0.066 0.000 1.068 1308 T CA 1.895 63.967 62.100 -0.047 0.000 1.131 1308 T CB -0.664 68.087 68.868 -0.194 0.000 0.871 1308 T HN 0.500 nan 8.240 nan 0.000 0.479 1309 H N 1.209 120.216 119.070 -0.104 0.000 2.261 1309 H HA 0.166 4.723 4.556 0.000 0.000 0.301 1309 H C 2.313 177.704 175.328 0.106 0.000 1.067 1309 H CA 1.508 57.423 56.048 -0.221 0.000 1.297 1309 H CB -0.234 29.233 29.762 -0.492 0.000 1.377 1309 H HN 0.179 nan 8.280 nan 0.000 0.492 1310 L N 0.530 121.884 121.223 0.218 0.000 2.042 1310 L HA -0.203 4.137 4.340 0.000 0.000 0.210 1310 L C 2.202 179.210 176.870 0.229 0.000 1.076 1310 L CA 1.470 56.439 54.840 0.215 0.000 0.749 1310 L CB -0.555 41.601 42.059 0.163 0.000 0.893 1310 L HN 0.409 nan 8.230 nan 0.000 0.432 1311 E N 0.499 120.824 120.200 0.209 0.000 2.085 1311 E HA -0.213 4.138 4.350 0.000 0.000 0.194 1311 E C 2.392 179.073 176.600 0.134 0.000 0.994 1311 E CA 1.079 57.580 56.400 0.168 0.000 0.801 1311 E CB -0.193 29.583 29.700 0.127 0.000 0.743 1311 E HN 0.427 nan 8.360 nan 0.000 0.453 1312 L N 0.308 121.616 121.223 0.142 0.000 1.971 1312 L HA -0.197 4.143 4.340 0.000 0.000 0.215 1312 L C 2.639 179.558 176.870 0.081 0.000 1.072 1312 L CA 1.525 56.423 54.840 0.097 0.000 0.758 1312 L CB -0.914 41.248 42.059 0.171 0.000 0.889 1312 L HN 0.289 nan 8.230 nan 0.000 0.433 1313 G N -0.855 108.042 108.800 0.162 0.000 2.422 1313 G HA2 -0.225 3.735 3.960 0.000 0.000 0.218 1313 G HA3 -0.225 3.735 3.960 0.000 0.000 0.218 1313 G C 1.704 176.803 174.900 0.332 0.000 1.146 1313 G CA 0.809 46.016 45.100 0.178 0.000 0.769 1313 G HN 0.501 nan 8.290 nan 0.000 0.547 1314 A N 0.310 123.333 122.820 0.339 0.000 1.968 1314 A HA -0.048 4.273 4.320 0.000 0.000 0.217 1314 A C 2.576 180.440 177.584 0.467 0.000 1.169 1314 A CA 1.848 54.182 52.037 0.495 0.000 0.638 1314 A CB -0.889 18.334 19.000 0.372 0.000 0.812 1314 A HN 0.917 nan 8.150 nan 0.000 0.446 1315 C N -2.955 116.470 119.300 0.207 0.000 2.539 1315 C HA 0.523 4.983 4.460 0.000 0.000 0.268 1315 C C 1.784 176.643 174.990 -0.218 0.000 1.395 1315 C CA 0.371 59.450 59.018 0.101 0.000 1.757 1315 C CB -0.656 27.066 27.740 -0.029 0.000 1.851 1315 C HN 1.574 nan 8.230 nan 0.000 0.545 1316 G N 0.151 108.641 108.800 -0.516 0.000 2.148 1316 G HA2 -0.058 3.902 3.960 0.000 0.000 0.157 1316 G HA3 -0.058 3.902 3.960 0.000 0.000 0.157 1316 G C 0.016 174.450 174.900 -0.776 0.000 1.012 1316 G CA 0.327 44.627 45.100 -1.333 0.000 0.677 1316 G HN 0.814 nan 8.290 nan 0.000 0.506 1317 T N 0.322 114.605 114.554 -0.451 0.000 2.936 1317 T HA 0.656 5.007 4.350 0.000 0.000 0.282 1317 T C 0.641 175.075 174.700 -0.444 0.000 1.003 1317 T CA -0.759 61.118 62.100 -0.372 0.000 1.005 1317 T CB 0.550 69.289 68.868 -0.215 0.000 1.097 1317 T HN 0.205 nan 8.240 nan 0.000 0.532 1318 I N 3.925 124.162 120.570 -0.555 0.000 2.452 1318 I HA 0.268 4.438 4.170 0.000 0.000 0.287 1318 I C -2.117 173.787 176.117 -0.355 0.000 1.079 1318 I CA -2.548 58.445 61.300 -0.512 0.000 1.387 1318 I CB 0.581 38.228 38.000 -0.589 0.000 1.404 1318 I HN 0.458 nan 8.210 nan 0.000 0.522 1319 P HA 0.147 nan 4.420 nan 0.000 0.276 1319 P C -0.621 176.279 177.300 -0.667 0.000 1.230 1319 P CA -0.048 62.699 63.100 -0.588 0.000 0.776 1319 P CB 0.850 32.004 31.700 -0.909 0.000 0.888 1320 V N 5.145 124.739 119.914 -0.533 0.000 2.380 1320 V HA 0.318 4.438 4.120 0.000 0.000 0.272 1320 V C -0.428 175.627 176.094 -0.065 0.000 1.011 1320 V CA -0.350 61.706 62.300 -0.407 0.000 0.826 1320 V CB -0.162 31.330 31.823 -0.552 0.000 1.040 1320 V HN 0.360 nan 8.190 nan 0.000 0.441 1321 F N 1.173 120.974 119.950 -0.248 0.000 2.410 1321 F HA 0.454 4.982 4.527 0.001 0.000 0.324 1321 F C 0.389 176.333 175.800 0.239 0.000 1.093 1321 F CA -2.056 55.935 58.000 -0.014 0.000 1.028 1321 F CB 0.881 39.785 39.000 -0.159 0.000 1.309 1321 F HN 0.481 nan 8.300 nan 0.000 0.499 1322 W N 4.126 125.665 121.300 0.399 0.000 2.422 1322 W HA 0.147 4.808 4.660 0.000 0.000 0.349 1322 W C 1.191 177.993 176.519 0.470 0.000 1.062 1322 W CA -0.554 57.008 57.345 0.362 0.000 1.497 1322 W CB 0.654 30.256 29.460 0.236 0.000 1.407 1322 W HN 0.735 nan 8.180 nan 0.000 0.393 1323 K N 2.615 123.237 120.400 0.370 0.000 2.056 1323 K HA -0.385 3.935 4.320 0.000 0.000 0.225 1323 K C 2.151 178.811 176.600 0.099 0.000 1.053 1323 K CA 2.934 59.411 56.287 0.317 0.000 0.966 1323 K CB -0.638 31.899 32.500 0.061 0.000 0.735 1323 K HN 0.461 nan 8.250 nan 0.000 0.455 1324 S N -0.644 114.996 115.700 -0.100 0.000 2.381 1324 S HA -0.205 4.265 4.470 0.000 0.000 0.230 1324 S C 1.815 176.544 174.600 0.216 0.000 1.052 1324 S CA 2.398 60.638 58.200 0.066 0.000 1.068 1324 S CB -0.651 62.666 63.200 0.194 0.000 0.918 1324 S HN 0.594 nan 8.310 nan 0.000 0.448 1325 T N 0.499 115.314 114.554 0.435 0.000 2.867 1325 T HA 0.031 4.381 4.350 0.000 0.000 0.268 1325 T C 1.772 176.594 174.700 0.203 0.000 1.057 1325 T CA 1.220 63.510 62.100 0.316 0.000 1.136 1325 T CB -0.805 68.286 68.868 0.372 0.000 0.874 1325 T HN 0.587 nan 8.240 nan 0.000 0.466 1326 G N 0.755 109.714 108.800 0.264 0.000 2.598 1326 G HA2 -0.063 3.897 3.960 0.000 0.000 0.215 1326 G HA3 -0.063 3.897 3.960 0.000 0.000 0.215 1326 G C 1.243 176.020 174.900 -0.206 0.000 1.131 1326 G CA 0.152 45.288 45.100 0.060 0.000 0.785 1326 G HN 0.494 nan 8.290 nan 0.000 0.539 1327 E N -0.302 119.828 120.200 -0.118 0.000 2.472 1327 E HA 0.069 4.419 4.350 0.000 0.000 0.196 1327 E C 1.214 177.783 176.600 -0.052 0.000 1.033 1327 E CA -0.062 56.263 56.400 -0.127 0.000 0.886 1327 E CB 0.177 29.811 29.700 -0.110 0.000 0.944 1327 E HN 0.515 nan 8.360 nan 0.000 0.492 1328 N N -0.036 118.658 118.700 -0.011 0.000 2.184 1328 N HA 0.159 4.899 4.740 0.000 0.000 0.206 1328 N C -0.325 175.188 175.510 0.006 0.000 1.151 1328 N CA -0.091 52.958 53.050 -0.001 0.000 0.878 1328 N CB 1.088 39.581 38.487 0.009 0.000 1.014 1328 N HN -0.063 nan 8.380 nan 0.000 0.512 1329 L N 1.377 122.607 121.223 0.011 0.000 2.325 1329 L HA 0.426 4.767 4.340 0.000 0.000 0.278 1329 L C -0.225 176.678 176.870 0.056 0.000 1.023 1329 L CA -0.664 54.195 54.840 0.032 0.000 0.811 1329 L CB 1.746 43.819 42.059 0.024 0.000 1.249 1329 L HN -0.131 nan 8.230 nan 0.000 0.431 1330 K N 2.243 122.705 120.400 0.103 0.000 2.185 1330 K HA 0.348 4.669 4.320 0.000 0.000 0.269 1330 K C -0.562 176.198 176.600 0.267 0.000 0.987 1330 K CA -0.708 55.668 56.287 0.148 0.000 0.865 1330 K CB 1.627 34.193 32.500 0.109 0.000 1.090 1330 K HN 0.175 nan 8.250 nan 0.000 0.450 1331 F N 3.029 123.017 119.950 0.064 0.000 2.553 1331 F HA 0.005 4.532 4.527 0.001 0.000 0.356 1331 F C 1.580 177.479 175.800 0.164 0.000 1.142 1331 F CA -0.189 57.857 58.000 0.077 0.000 1.322 1331 F CB 0.655 39.647 39.000 -0.014 0.000 1.126 1331 F HN 0.545 nan 8.300 nan 0.000 0.599 1332 R N 2.795 123.267 120.500 -0.048 0.000 2.075 1332 R HA -0.007 4.333 4.340 0.000 0.000 0.226 1332 R C 1.736 177.741 176.300 -0.492 0.000 1.114 1332 R CA 1.282 57.194 56.100 -0.313 0.000 0.972 1332 R CB -0.248 29.807 30.300 -0.408 0.000 0.869 1332 R HN 0.625 nan 8.270 nan 0.000 0.437 1333 V N 1.806 121.133 119.914 -0.978 0.000 2.223 1333 V HA -0.241 3.879 4.120 0.000 0.000 0.244 1333 V C 0.721 176.629 176.094 -0.311 0.000 1.045 1333 V CA 2.308 64.212 62.300 -0.660 0.000 1.000 1333 V CB -0.459 30.916 31.823 -0.746 0.000 0.635 1333 V HN 0.622 nan 8.190 nan 0.000 0.445 1334 D N -1.390 118.904 120.400 -0.176 0.000 3.068 1334 D HA 0.134 4.774 4.640 0.000 0.000 0.327 1334 D C 0.125 176.496 176.300 0.118 0.000 1.361 1334 D CA -0.700 53.331 54.000 0.052 0.000 0.877 1334 D CB -1.235 39.672 40.800 0.177 0.000 1.088 1334 D HN 0.263 nan 8.370 nan 0.000 0.489 1335 N N 0.992 119.725 118.700 0.055 0.000 2.984 1335 N HA -0.220 4.520 4.740 0.000 0.000 0.307 1335 N C -0.834 174.755 175.510 0.133 0.000 1.085 1335 N CA 1.625 54.728 53.050 0.089 0.000 0.820 1335 N CB -0.316 38.196 38.487 0.042 0.000 0.977 1335 N HN 0.634 nan 8.380 nan 0.000 0.615 1336 T N -0.942 113.737 114.554 0.209 0.000 2.739 1336 T HA 0.579 4.929 4.350 0.000 0.000 0.303 1336 T C -3.094 171.722 174.700 0.193 0.000 1.389 1336 T CA -1.627 60.583 62.100 0.185 0.000 1.001 1336 T CB 1.785 70.779 68.868 0.209 0.000 1.436 1336 T HN -0.179 nan 8.240 nan 0.000 0.500 1337 P HA 0.294 nan 4.420 nan 0.000 0.269 1337 P C 0.592 177.937 177.300 0.076 0.000 1.217 1337 P CA -0.359 62.769 63.100 0.047 0.000 0.783 1337 P CB 0.396 32.076 31.700 -0.034 0.000 0.898 1338 L N 0.596 121.793 121.223 -0.042 0.000 2.307 1338 L HA -0.039 4.301 4.340 0.000 0.000 0.211 1338 L C 2.195 178.872 176.870 -0.322 0.000 1.099 1338 L CA 1.206 56.015 54.840 -0.050 0.000 0.816 1338 L CB -1.162 40.947 42.059 0.084 0.000 0.952 1338 L HN 0.438 nan 8.230 nan 0.000 0.455 1339 T N -2.809 111.366 114.554 -0.631 0.000 2.915 1339 T HA -0.094 4.256 4.350 0.000 0.000 0.269 1339 T C 1.206 175.604 174.700 -0.502 0.000 1.071 1339 T CA 0.907 62.413 62.100 -0.990 0.000 1.132 1339 T CB -0.470 67.879 68.868 -0.865 0.000 0.878 1339 T HN 0.297 nan 8.240 nan 0.000 0.479 1340 S N 1.124 116.663 115.700 -0.267 0.000 3.700 1340 S HA 0.503 4.973 4.470 0.000 0.000 0.192 1340 S C -0.770 173.693 174.600 -0.228 0.000 1.430 1340 S CA -0.862 57.217 58.200 -0.203 0.000 0.999 1340 S CB -0.568 62.536 63.200 -0.160 0.000 1.411 1340 S HN 0.640 nan 8.310 nan 0.000 0.491 1341 H N -0.042 118.833 119.070 -0.326 0.000 3.094 1341 H HA 0.291 4.847 4.556 0.000 0.000 0.346 1341 H C -1.477 173.623 175.328 -0.381 0.000 1.238 1341 H CA -0.665 55.136 56.048 -0.413 0.000 1.209 1341 H CB 1.252 30.542 29.762 -0.786 0.000 1.911 1341 H HN 0.336 nan 8.280 nan 0.000 0.540 1342 D N 1.123 121.404 120.400 -0.199 0.000 2.608 1342 D HA 0.074 4.715 4.640 0.000 0.000 0.224 1342 D C 0.675 176.851 176.300 -0.206 0.000 1.123 1342 D CA 0.345 54.257 54.000 -0.146 0.000 1.030 1342 D CB 0.285 41.033 40.800 -0.087 0.000 1.093 1342 D HN 0.517 nan 8.370 nan 0.000 0.497 1343 S N 1.172 116.682 115.700 -0.316 0.000 2.371 1343 S HA 0.106 4.576 4.470 0.000 0.000 0.224 1343 S C 1.995 176.529 174.600 -0.110 0.000 1.029 1343 S CA 0.544 58.508 58.200 -0.393 0.000 0.978 1343 S CB -0.146 62.778 63.200 -0.459 0.000 0.833 1343 S HN 0.617 nan 8.310 nan 0.000 0.466 1344 G N 0.963 109.708 108.800 -0.091 0.000 2.218 1344 G HA2 -0.170 3.790 3.960 0.000 0.000 0.216 1344 G HA3 -0.170 3.790 3.960 0.000 0.000 0.216 1344 G C 0.062 174.851 174.900 -0.184 0.000 0.994 1344 G CA -0.132 44.912 45.100 -0.094 0.000 0.637 1344 G HN 0.534 nan 8.290 nan 0.000 0.505 1345 I N 2.313 122.729 120.570 -0.257 0.000 2.533 1345 I HA 0.238 4.409 4.170 0.000 0.000 0.284 1345 I C 0.806 176.506 176.117 -0.696 0.000 1.109 1345 I CA 0.012 60.943 61.300 -0.616 0.000 1.412 1345 I CB 0.721 38.173 38.000 -0.913 0.000 1.396 1345 I HN 0.040 nan 8.210 nan 0.000 0.543 1346 I N 6.360 126.548 120.570 -0.636 0.000 2.337 1346 I HA 0.081 4.251 4.170 0.000 0.000 0.291 1346 I C -0.665 175.123 176.117 -0.549 0.000 1.046 1346 I CA -0.282 60.777 61.300 -0.402 0.000 1.324 1346 I CB 0.338 38.218 38.000 -0.200 0.000 1.409 1346 I HN 0.473 nan 8.210 nan 0.000 0.494 1347 W N 6.783 128.051 121.300 -0.054 0.000 2.322 1347 W HA 0.263 4.923 4.660 0.000 0.000 0.307 1347 W C -0.082 176.436 176.519 -0.003 0.000 1.220 1347 W CA -0.573 56.772 57.345 -0.000 0.000 1.210 1347 W CB 0.335 29.777 29.460 -0.030 0.000 1.223 1347 W HN 0.266 nan 8.180 nan 0.000 0.511 1348 F N 4.922 124.887 119.950 0.026 0.000 2.444 1348 F HA 0.165 4.692 4.527 0.000 0.000 0.360 1348 F C 0.152 175.812 175.800 -0.234 0.000 1.106 1348 F CA -0.346 57.594 58.000 -0.100 0.000 1.170 1348 F CB 0.228 39.215 39.000 -0.021 0.000 1.113 1348 F HN 0.168 nan 8.300 nan 0.000 0.521 1349 D N 5.685 125.786 120.400 -0.499 0.000 2.373 1349 D HA 0.065 4.705 4.640 0.000 0.000 0.227 1349 D C 0.826 176.803 176.300 -0.539 0.000 1.091 1349 D CA -0.142 53.605 54.000 -0.422 0.000 0.840 1349 D CB 1.114 41.755 40.800 -0.266 0.000 1.060 1349 D HN 0.808 nan 8.370 nan 0.000 0.502 1350 E N 1.940 121.939 120.200 -0.334 0.000 2.478 1350 E HA -0.098 4.252 4.350 0.000 0.000 0.198 1350 E C 0.309 176.882 176.600 -0.044 0.000 1.046 1350 E CA 0.752 57.118 56.400 -0.056 0.000 0.870 1350 E CB -0.073 29.757 29.700 0.217 0.000 0.818 1350 E HN 0.379 nan 8.360 nan 0.000 0.527 1351 N N 0.068 118.706 118.700 -0.102 0.000 2.254 1351 N HA -0.013 4.727 4.740 0.000 0.000 0.190 1351 N C -0.252 175.224 175.510 -0.057 0.000 1.107 1351 N CA 0.258 53.280 53.050 -0.046 0.000 0.869 1351 N CB 0.554 39.016 38.487 -0.043 0.000 0.983 1351 N HN 0.021 nan 8.380 nan 0.000 0.487 1352 D N 0.279 120.603 120.400 -0.126 0.000 3.220 1352 D HA 0.181 4.821 4.640 0.000 0.000 0.309 1352 D C 0.684 176.861 176.300 -0.204 0.000 1.276 1352 D CA -0.161 53.774 54.000 -0.107 0.000 0.736 1352 D CB -0.041 40.706 40.800 -0.089 0.000 1.304 1352 D HN -0.059 nan 8.370 nan 0.000 0.582 1353 M N -0.249 119.195 119.600 -0.259 0.000 2.202 1353 M HA -0.128 4.352 4.480 0.000 0.000 0.262 1353 M C 1.843 177.878 176.300 -0.442 0.000 1.063 1353 M CA 1.406 56.423 55.300 -0.471 0.000 1.097 1353 M CB 0.112 32.396 32.600 -0.528 0.000 1.382 1353 M HN 0.271 nan 8.290 nan 0.000 0.413 1354 E N -0.534 119.541 120.200 -0.208 0.000 2.110 1354 E HA -0.202 4.148 4.350 0.000 0.000 0.193 1354 E C 2.025 178.682 176.600 0.096 0.000 0.988 1354 E CA 1.444 57.910 56.400 0.110 0.000 0.804 1354 E CB 0.056 29.946 29.700 0.317 0.000 0.745 1354 E HN 0.338 nan 8.360 nan 0.000 0.458 1355 S N -0.842 114.862 115.700 0.007 0.000 2.368 1355 S HA -0.144 4.326 4.470 0.000 0.000 0.225 1355 S C 1.945 176.538 174.600 -0.011 0.000 1.030 1355 S CA 1.747 59.946 58.200 -0.002 0.000 0.999 1355 S CB -0.369 62.811 63.200 -0.033 0.000 0.844 1355 S HN 0.363 nan 8.310 nan 0.000 0.459 1356 T N 1.340 115.858 114.554 -0.061 0.000 2.684 1356 T HA -0.090 4.260 4.350 0.000 0.000 0.267 1356 T C 1.361 176.124 174.700 0.106 0.000 1.036 1356 T CA 1.489 63.556 62.100 -0.055 0.000 1.148 1356 T CB -0.519 68.187 68.868 -0.271 0.000 0.863 1356 T HN 0.494 nan 8.240 nan 0.000 0.436 1357 F N 2.197 122.176 119.950 0.048 0.000 2.234 1357 F HA -0.038 4.489 4.527 0.000 0.000 0.299 1357 F C 2.228 178.045 175.800 0.029 0.000 1.087 1357 F CA 0.863 58.921 58.000 0.096 0.000 1.340 1357 F CB -0.256 38.763 39.000 0.031 0.000 1.031 1357 F HN 0.032 nan 8.300 nan 0.000 0.500 1358 E N 0.127 120.299 120.200 -0.045 0.000 2.051 1358 E HA -0.232 4.118 4.350 0.000 0.000 0.192 1358 E C 2.322 178.839 176.600 -0.138 0.000 0.991 1358 E CA 1.042 57.368 56.400 -0.123 0.000 0.799 1358 E CB -0.491 29.196 29.700 -0.022 0.000 0.748 1358 E HN 0.207 nan 8.360 nan 0.000 0.449 1359 R N 1.188 121.642 120.500 -0.077 0.000 2.096 1359 R HA -0.023 4.317 4.340 0.000 0.000 0.235 1359 R C 2.264 178.524 176.300 -0.067 0.000 1.127 1359 R CA 0.926 56.997 56.100 -0.048 0.000 0.968 1359 R CB -0.662 29.627 30.300 -0.018 0.000 0.861 1359 R HN 0.190 nan 8.270 nan 0.000 0.440 1360 I N 0.171 120.637 120.570 -0.173 0.000 2.315 1360 I HA -0.236 3.934 4.170 0.000 0.000 0.248 1360 I C 2.039 177.961 176.117 -0.324 0.000 1.117 1360 I CA 1.301 62.371 61.300 -0.385 0.000 1.404 1360 I CB -0.235 37.410 38.000 -0.591 0.000 1.071 1360 I HN 0.141 nan 8.210 nan 0.000 0.419 1361 K N 0.800 120.973 120.400 -0.378 0.000 2.097 1361 K HA -0.166 4.155 4.320 0.000 0.000 0.205 1361 K C 1.957 178.494 176.600 -0.105 0.000 1.050 1361 K CA 1.279 57.386 56.287 -0.301 0.000 0.938 1361 K CB -0.097 32.143 32.500 -0.434 0.000 0.718 1361 K HN 0.391 nan 8.250 nan 0.000 0.442 1362 E N 0.738 120.896 120.200 -0.070 0.000 2.038 1362 E HA -0.216 4.135 4.350 0.000 0.000 0.195 1362 E C 1.889 178.533 176.600 0.074 0.000 1.000 1362 E CA 1.229 57.629 56.400 0.000 0.000 0.803 1362 E CB -0.168 29.535 29.700 0.005 0.000 0.750 1362 E HN 0.106 nan 8.360 nan 0.000 0.448 1363 L N 0.710 122.031 121.223 0.163 0.000 2.201 1363 L HA -0.077 4.263 4.340 0.000 0.000 0.212 1363 L C 2.225 179.274 176.870 0.298 0.000 1.105 1363 L CA 1.140 56.159 54.840 0.298 0.000 0.775 1363 L CB -0.239 42.106 42.059 0.478 0.000 0.913 1363 L HN -0.065 nan 8.230 nan 0.000 0.440 1364 S N -1.090 114.766 115.700 0.259 0.000 2.555 1364 S HA -0.022 4.449 4.470 0.000 0.000 0.230 1364 S C 1.361 175.990 174.600 0.049 0.000 0.978 1364 S CA 0.930 59.232 58.200 0.171 0.000 0.934 1364 S CB -0.187 63.096 63.200 0.138 0.000 0.766 1364 S HN 0.592 nan 8.310 nan 0.000 0.533 1365 S N 0.174 115.899 115.700 0.041 0.000 2.902 1365 S HA 0.352 4.822 4.470 0.000 0.000 0.250 1365 S C -0.700 173.912 174.600 0.020 0.000 1.046 1365 S CA -0.601 57.608 58.200 0.015 0.000 1.069 1365 S CB 0.418 63.622 63.200 0.006 0.000 0.967 1365 S HN 0.160 nan 8.310 nan 0.000 0.530 1366 D N 1.073 121.493 120.400 0.034 0.000 2.826 1366 D HA 0.270 4.910 4.640 0.000 0.000 0.239 1366 D C 1.115 177.454 176.300 0.066 0.000 1.329 1366 D CA -0.331 53.696 54.000 0.045 0.000 0.854 1366 D CB 0.568 41.401 40.800 0.056 0.000 1.494 1366 D HN -0.110 nan 8.370 nan 0.000 0.540 1367 R N 1.384 121.900 120.500 0.027 0.000 2.179 1367 R HA -0.240 4.101 4.340 0.000 0.000 0.238 1367 R C 1.913 178.285 176.300 0.119 0.000 1.119 1367 R CA 1.893 58.015 56.100 0.037 0.000 0.915 1367 R CB -1.359 28.948 30.300 0.011 0.000 0.870 1367 R HN 0.452 nan 8.270 nan 0.000 0.432 1368 A N 1.255 124.125 122.820 0.083 0.000 1.940 1368 A HA -0.215 4.105 4.320 0.000 0.000 0.221 1368 A C 2.288 179.929 177.584 0.094 0.000 1.190 1368 A CA 1.935 54.022 52.037 0.083 0.000 0.647 1368 A CB -0.630 18.403 19.000 0.055 0.000 0.821 1368 A HN 0.294 nan 8.150 nan 0.000 0.457 1369 L N -2.055 119.227 121.223 0.098 0.000 2.109 1369 L HA -0.052 4.288 4.340 0.000 0.000 0.207 1369 L C 2.259 179.197 176.870 0.113 0.000 1.086 1369 L CA 2.243 57.137 54.840 0.090 0.000 0.760 1369 L CB -0.862 41.245 42.059 0.081 0.000 0.910 1369 L HN 0.516 nan 8.230 nan 0.000 0.437 1370 Y N 0.070 120.375 120.300 0.007 0.000 2.114 1370 Y HA -0.270 4.280 4.550 0.001 0.000 0.284 1370 Y C 2.383 178.269 175.900 -0.023 0.000 1.143 1370 Y CA 2.181 60.265 58.100 -0.026 0.000 1.135 1370 Y CB -0.311 38.120 38.460 -0.049 0.000 0.980 1370 Y HN 0.308 nan 8.280 nan 0.000 0.499 1371 D N -0.228 120.295 120.400 0.204 0.000 2.218 1371 D HA -0.132 4.508 4.640 0.000 0.000 0.204 1371 D C 2.024 178.374 176.300 0.084 0.000 0.976 1371 D CA 1.069 55.155 54.000 0.143 0.000 0.853 1371 D CB -0.040 40.871 40.800 0.185 0.000 0.939 1371 D HN 0.401 nan 8.370 nan 0.000 0.481 1372 R N -0.066 120.470 120.500 0.060 0.000 2.127 1372 R HA 0.028 4.368 4.340 0.000 0.000 0.217 1372 R C 1.903 178.217 176.300 0.022 0.000 1.074 1372 R CA 0.451 56.580 56.100 0.049 0.000 0.991 1372 R CB 0.154 30.481 30.300 0.045 0.000 0.895 1372 R HN 0.125 nan 8.270 nan 0.000 0.450 1373 E N 0.924 121.108 120.200 -0.027 0.000 2.208 1373 E HA -0.158 4.192 4.350 0.000 0.000 0.193 1373 E C 1.939 178.486 176.600 -0.089 0.000 0.988 1373 E CA 0.988 57.350 56.400 -0.063 0.000 0.828 1373 E CB 0.062 29.705 29.700 -0.094 0.000 0.763 1373 E HN 0.430 nan 8.360 nan 0.000 0.478 1374 R N 0.671 121.090 120.500 -0.136 0.000 2.127 1374 R HA 0.068 4.408 4.340 0.000 0.000 0.217 1374 R C 1.716 178.160 176.300 0.241 0.000 1.074 1374 R CA 0.622 56.677 56.100 -0.075 0.000 0.991 1374 R CB -0.171 29.944 30.300 -0.308 0.000 0.895 1374 R HN -0.099 nan 8.270 nan 0.000 0.450 1375 E N 1.809 122.151 120.200 0.238 0.000 2.153 1375 E HA -0.136 4.215 4.350 0.000 0.000 0.194 1375 E C 1.551 178.288 176.600 0.228 0.000 0.988 1375 E CA 1.243 57.788 56.400 0.241 0.000 0.811 1375 E CB 0.055 29.828 29.700 0.123 0.000 0.746 1375 E HN 0.513 nan 8.360 nan 0.000 0.466 1376 K N 0.117 120.612 120.400 0.159 0.000 2.228 1376 K HA 0.076 4.396 4.320 0.000 0.000 0.202 1376 K C 2.104 178.813 176.600 0.182 0.000 1.051 1376 K CA 0.772 57.145 56.287 0.143 0.000 0.960 1376 K CB 0.104 32.644 32.500 0.067 0.000 0.743 1376 K HN -0.011 nan 8.250 nan 0.000 0.458 1377 A N 1.115 124.035 122.820 0.166 0.000 1.872 1377 A HA -0.172 4.149 4.320 0.000 0.000 0.214 1377 A C 2.069 179.811 177.584 0.264 0.000 1.187 1377 A CA 0.970 53.106 52.037 0.165 0.000 0.614 1377 A CB -0.773 18.245 19.000 0.030 0.000 0.826 1377 A HN 0.405 nan 8.150 nan 0.000 0.442 1378 Y N 0.738 121.187 120.300 0.248 0.000 2.256 1378 Y HA -0.208 4.342 4.550 0.000 0.000 0.288 1378 Y C 2.211 178.260 175.900 0.249 0.000 1.155 1378 Y CA 2.273 60.543 58.100 0.283 0.000 1.203 1378 Y CB -0.063 38.578 38.460 0.303 0.000 0.980 1378 Y HN 0.421 nan 8.280 nan 0.000 0.530 1379 E N -0.082 120.263 120.200 0.242 0.000 2.033 1379 E HA -0.169 4.181 4.350 0.000 0.000 0.189 1379 E C 1.949 178.710 176.600 0.269 0.000 0.979 1379 E CA 1.349 57.893 56.400 0.239 0.000 0.802 1379 E CB -0.927 28.946 29.700 0.288 0.000 0.763 1379 E HN 0.423 nan 8.360 nan 0.000 0.449 1380 F N 0.887 120.899 119.950 0.103 0.000 2.126 1380 F HA -0.121 4.406 4.527 0.000 0.000 0.299 1380 F C 1.733 177.601 175.800 0.113 0.000 1.096 1380 F CA 1.476 59.505 58.000 0.048 0.000 1.255 1380 F CB -0.270 38.687 39.000 -0.072 0.000 0.997 1380 F HN 0.078 nan 8.300 nan 0.000 0.479 1381 L N -1.300 119.914 121.223 -0.015 0.000 2.179 1381 L HA -0.175 4.165 4.340 0.000 0.000 0.208 1381 L C 2.350 179.243 176.870 0.038 0.000 1.096 1381 L CA 0.999 55.804 54.840 -0.059 0.000 0.779 1381 L CB -0.993 41.115 42.059 0.081 0.000 0.922 1381 L HN 0.248 nan 8.230 nan 0.000 0.443 1382 Y N 1.231 121.454 120.300 -0.128 0.000 2.145 1382 Y HA -0.277 4.274 4.550 0.000 0.000 0.286 1382 Y C 2.522 178.498 175.900 0.126 0.000 1.145 1382 Y CA 1.564 59.598 58.100 -0.110 0.000 1.148 1382 Y CB -0.372 37.887 38.460 -0.335 0.000 0.981 1382 Y HN 0.180 nan 8.280 nan 0.000 0.507 1383 Q N -1.257 118.489 119.800 -0.090 0.000 2.167 1383 Q HA -0.213 4.127 4.340 0.000 0.000 0.202 1383 Q C 2.193 178.112 176.000 -0.134 0.000 0.970 1383 Q CA 1.379 57.047 55.803 -0.226 0.000 0.855 1383 Q CB -0.421 28.292 28.738 -0.042 0.000 0.911 1383 Q HN 0.676 nan 8.270 nan 0.000 0.438 1384 H N 0.020 119.037 119.070 -0.089 0.000 2.436 1384 H HA 0.032 4.588 4.556 0.000 0.000 0.294 1384 H C 0.655 175.918 175.328 -0.108 0.000 1.048 1384 H CA 0.963 56.946 56.048 -0.107 0.000 1.353 1384 H CB 0.649 30.352 29.762 -0.099 0.000 1.414 1384 H HN 0.152 nan 8.280 nan 0.000 0.536 1385 Q N 1.090 120.825 119.800 -0.108 0.000 2.507 1385 Q HA 0.113 4.453 4.340 0.000 0.000 0.317 1385 Q C -1.539 174.409 176.000 -0.087 0.000 0.798 1385 Q CA -0.254 55.446 55.803 -0.172 0.000 1.063 1385 Q CB 0.763 29.401 28.738 -0.167 0.000 1.410 1385 Q HN 0.265 nan 8.270 nan 0.000 0.386 1386 D N -1.471 118.904 120.400 -0.042 0.000 2.264 1386 D HA 0.224 4.864 4.640 0.000 0.000 0.249 1386 D C 0.835 176.984 176.300 -0.251 0.000 1.070 1386 D CA 0.130 54.069 54.000 -0.102 0.000 0.912 1386 D CB 1.431 42.137 40.800 -0.156 0.000 1.193 1386 D HN 0.045 nan 8.370 nan 0.000 0.427 1387 S N 0.578 116.174 115.700 -0.174 0.000 2.374 1387 S HA -0.233 4.237 4.470 0.000 0.000 0.227 1387 S C 2.039 176.549 174.600 -0.150 0.000 1.037 1387 S CA 1.468 59.568 58.200 -0.167 0.000 1.024 1387 S CB -0.457 62.850 63.200 0.178 0.000 0.861 1387 S HN 0.696 nan 8.310 nan 0.000 0.456 1388 S N 0.960 116.521 115.700 -0.232 0.000 2.423 1388 S HA -0.153 4.317 4.470 0.000 0.000 0.238 1388 S C 1.366 175.764 174.600 -0.337 0.000 1.028 1388 S CA 1.464 59.482 58.200 -0.303 0.000 1.000 1388 S CB -0.600 62.203 63.200 -0.662 0.000 0.797 1388 S HN 0.518 nan 8.310 nan 0.000 0.487 1389 F N 0.199 120.133 119.950 -0.028 0.000 2.553 1389 F HA 0.390 4.917 4.527 0.000 0.000 0.282 1389 F C 2.633 178.348 175.800 -0.142 0.000 1.089 1389 F CA -1.076 56.873 58.000 -0.085 0.000 1.411 1389 F CB -1.032 37.867 39.000 -0.168 0.000 1.125 1389 F HN 0.246 nan 8.300 nan 0.000 0.610 1390 C N 0.016 119.252 119.300 -0.108 0.000 2.486 1390 C HA -0.049 4.412 4.460 0.000 0.000 0.279 1390 C C 2.616 177.422 174.990 -0.306 0.000 1.302 1390 C CA 0.495 59.378 59.018 -0.225 0.000 1.720 1390 C CB -1.405 26.119 27.740 -0.360 0.000 2.030 1390 C HN 0.391 nan 8.230 nan 0.000 0.490 1391 F N 1.153 120.751 119.950 -0.586 0.000 2.604 1391 F HA -0.059 4.468 4.527 0.000 0.000 0.298 1391 F C 2.376 177.500 175.800 -1.128 0.000 1.131 1391 F CA 0.557 57.833 58.000 -1.208 0.000 1.457 1391 F CB 0.028 37.625 39.000 -2.338 0.000 1.095 1391 F HN 0.121 nan 8.300 nan 0.000 0.574 1392 K N 1.132 121.407 120.400 -0.207 0.000 2.211 1392 K HA -0.118 4.202 4.320 0.000 0.000 0.201 1392 K C 1.804 178.505 176.600 0.168 0.000 1.052 1392 K CA 1.054 57.451 56.287 0.183 0.000 0.973 1392 K CB -0.273 32.396 32.500 0.282 0.000 0.766 1392 K HN 0.272 nan 8.250 nan 0.000 0.466 1393 E N 0.505 120.755 120.200 0.083 0.000 2.015 1393 E HA -0.239 4.111 4.350 0.000 0.000 0.191 1393 E C 1.808 178.499 176.600 0.150 0.000 0.991 1393 E CA 1.333 57.795 56.400 0.105 0.000 0.802 1393 E CB -0.059 29.679 29.700 0.063 0.000 0.759 1393 E HN 0.423 nan 8.360 nan 0.000 0.447 1394 Q N -0.302 119.571 119.800 0.122 0.000 2.096 1394 Q HA -0.190 4.151 4.340 0.000 0.000 0.204 1394 Q C 2.092 178.260 176.000 0.280 0.000 0.982 1394 Q CA 1.789 57.707 55.803 0.192 0.000 0.850 1394 Q CB -0.359 28.336 28.738 -0.073 0.000 0.901 1394 Q HN 0.330 nan 8.270 nan 0.000 0.422 1395 F N 2.089 122.082 119.950 0.071 0.000 2.126 1395 F HA -0.255 4.272 4.527 0.000 0.000 0.299 1395 F C 1.489 177.394 175.800 0.175 0.000 1.096 1395 F CA 1.720 59.828 58.000 0.180 0.000 1.255 1395 F CB -0.048 39.135 39.000 0.305 0.000 0.997 1395 F HN 0.026 nan 8.300 nan 0.000 0.479 1396 D N 0.502 121.127 120.400 0.375 0.000 2.117 1396 D HA -0.172 4.468 4.640 0.000 0.000 0.197 1396 D C 2.384 178.711 176.300 0.045 0.000 0.987 1396 D CA 1.806 55.938 54.000 0.219 0.000 0.829 1396 D CB -0.443 40.473 40.800 0.194 0.000 0.961 1396 D HN 0.369 nan 8.370 nan 0.000 0.460 1397 I N 0.401 120.984 120.570 0.021 0.000 2.315 1397 I HA -0.192 3.978 4.170 0.000 0.000 0.248 1397 I C 2.314 178.306 176.117 -0.209 0.000 1.117 1397 I CA 0.676 61.869 61.300 -0.179 0.000 1.404 1397 I CB -0.138 37.719 38.000 -0.237 0.000 1.071 1397 I HN -0.034 nan 8.210 nan 0.000 0.419 1398 I N 0.678 121.212 120.570 -0.060 0.000 2.193 1398 I HA -0.209 3.962 4.170 0.000 0.000 0.240 1398 I C 2.225 178.244 176.117 -0.163 0.000 1.084 1398 I CA 1.771 63.017 61.300 -0.089 0.000 1.365 1398 I CB -0.409 37.594 38.000 0.004 0.000 1.064 1398 I HN 0.317 nan 8.210 nan 0.000 0.410 1399 T N -1.220 113.192 114.554 -0.236 0.000 3.324 1399 T HA 0.095 4.445 4.350 0.000 0.000 0.250 1399 T C 0.484 175.129 174.700 -0.092 0.000 1.059 1399 T CA -0.229 61.748 62.100 -0.206 0.000 0.951 1399 T CB -0.218 68.457 68.868 -0.322 0.000 1.030 1399 T HN 0.133 nan 8.240 nan 0.000 0.576 1400 K N 0.000 120.345 120.400 -0.091 0.000 2.780 1400 K HA 0.000 4.320 4.320 0.000 0.000 0.191 1400 K CA 0.000 56.251 56.287 -0.060 0.000 0.838 1400 K CB 0.000 32.449 32.500 -0.085 0.000 1.064 1400 K HN 0.000 nan 8.250 nan 0.000 0.543