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 2h7c_1_A DATA FIRST_RESID 1021 DATA SEQUENCE SSPPVVDTVH GKVLGKFVSL EGFAQPVAIF LGIPFAKPPL GPLRFTPPQP DATA SEQUENCE AEPWSFVKNA TSYPPMcTQD PKAGQLLSEL FTNRKENIPL KLSEDcLYLN DATA SEQUENCE IYTPADLTKK NRLPVMVWIH GGGLMVGAAS TYDGLALAAH ENVVVVTIQY DATA SEQUENCE RLGIWGFFST GDEHSRGNWG HLDQVAALRW VQDNIASFGG NPGSVTIFGE DATA SEQUENCE SAGGESVSVL VLSPLAKNLF HRAISESGVA LTSVLVKKGD VKPLAEQIAI DATA SEQUENCE TAGcKTTTSA VMVHcLRQKT EEELLETTLK MKFLSLDLQG DPRESQPLLG DATA SEQUENCE TVIDGMLLLK TPEELQAERN FHTVPYMVGI NKQEFGWLIP MXLMSYPLSE DATA SEQUENCE GQLDQKTAMS LLWKSYPLVC IAKELIPEAT EKYLGGTDDT VKKKDLFLDL DATA SEQUENCE IADVMFGVPS VIVARNHRDA GAPTYMYEFQ YRPSFSSDMK PKTVIGDHGD DATA SEQUENCE ELFSVFGAPF LKEGASEEEI RLSKMVMKFW ANFARNGNPN GEGLPHWPEY DATA SEQUENCE NQKEGYLQIG ANTQAAQKLK DKEVAFWTNL FAK 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 1021 S HA 0.000 nan 4.470 nan 0.000 0.327 1021 S C 0.000 174.684 174.600 0.140 0.000 1.055 1021 S CA 0.000 58.261 58.200 0.101 0.000 1.107 1021 S CB 0.000 63.282 63.200 0.136 0.000 0.593 1022 S N 2.451 118.215 115.700 0.107 0.000 3.734 1022 S HA -0.038 4.429 4.470 -0.005 0.000 0.531 1022 S C -2.318 172.360 174.600 0.129 0.000 0.757 1022 S CA 0.126 58.388 58.200 0.104 0.000 1.388 1022 S CB -1.266 61.999 63.200 0.109 0.000 0.878 1022 S HN 0.581 nan 8.310 nan 0.000 0.735 1023 P HA 0.220 nan 4.420 nan 0.000 0.269 1023 P C -2.414 174.768 177.300 -0.198 0.000 1.211 1023 P CA -0.732 62.282 63.100 -0.143 0.000 0.781 1023 P CB -0.031 31.585 31.700 -0.141 0.000 0.877 1024 P HA 0.100 nan 4.420 nan 0.000 0.271 1024 P C -0.990 176.330 177.300 0.033 0.000 1.216 1024 P CA 0.333 63.290 63.100 -0.238 0.000 0.771 1024 P CB 0.452 31.900 31.700 -0.420 0.000 0.864 1025 V N 4.722 124.706 119.914 0.115 0.000 2.483 1025 V HA 0.330 4.447 4.120 -0.005 0.000 0.297 1025 V C -0.075 176.075 176.094 0.093 0.000 1.027 1025 V CA -0.582 61.808 62.300 0.150 0.000 0.855 1025 V CB 2.186 34.068 31.823 0.098 0.000 0.995 1025 V HN 0.218 nan 8.190 nan 0.000 0.424 1026 V N 3.404 123.351 119.914 0.054 0.000 2.628 1026 V HA 0.527 4.643 4.120 -0.005 0.000 0.306 1026 V C -0.770 175.245 176.094 -0.132 0.000 1.045 1026 V CA -0.801 61.381 62.300 -0.197 0.000 0.905 1026 V CB 2.323 33.714 31.823 -0.720 0.000 0.997 1026 V HN 0.819 nan 8.190 nan 0.000 0.436 1027 D N 2.789 123.092 120.400 -0.161 0.000 2.274 1027 D HA 0.472 5.109 4.640 -0.005 0.000 0.239 1027 D C 0.347 176.556 176.300 -0.152 0.000 1.104 1027 D CA -0.013 53.925 54.000 -0.105 0.000 0.840 1027 D CB 1.835 42.577 40.800 -0.096 0.000 1.100 1027 D HN 0.741 nan 8.370 nan 0.000 0.477 1028 T N -2.359 112.145 114.554 -0.083 0.000 2.938 1028 T HA 0.306 4.653 4.350 -0.005 0.000 0.285 1028 T C 1.437 176.015 174.700 -0.203 0.000 1.028 1028 T CA -0.777 61.270 62.100 -0.089 0.000 1.005 1028 T CB 0.952 69.926 68.868 0.176 0.000 1.157 1028 T HN -0.009 nan 8.240 nan 0.000 0.550 1029 V N 1.141 120.876 119.914 -0.298 0.000 2.324 1029 V HA -0.179 3.938 4.120 -0.005 0.000 0.250 1029 V C 2.423 178.272 176.094 -0.408 0.000 1.060 1029 V CA 1.819 63.890 62.300 -0.381 0.000 1.042 1029 V CB -1.122 30.388 31.823 -0.523 0.000 0.650 1029 V HN 0.867 nan 8.190 nan 0.000 0.450 1030 H N -0.338 118.539 119.070 -0.321 0.000 2.548 1030 H HA 0.450 5.002 4.556 -0.006 0.000 0.265 1030 H C 0.973 175.551 175.328 -1.251 0.000 0.969 1030 H CA 0.892 56.556 56.048 -0.641 0.000 1.155 1030 H CB 0.433 29.845 29.762 -0.583 0.000 1.394 1030 H HN 0.543 nan 8.280 nan 0.000 0.570 1031 G N 0.057 108.339 108.800 -0.864 0.000 2.356 1031 G HA2 0.054 4.010 3.960 -0.005 0.000 0.300 1031 G HA3 0.054 4.010 3.960 -0.005 0.000 0.300 1031 G C -1.370 173.467 174.900 -0.105 0.000 1.331 1031 G CA -1.137 43.475 45.100 -0.813 0.000 0.905 1031 G HN 0.023 nan 8.290 nan 0.000 0.587 1032 K N -0.459 120.046 120.400 0.176 0.000 2.218 1032 K HA 0.598 4.915 4.320 -0.005 0.000 0.276 1032 K C 0.167 177.080 176.600 0.522 0.000 1.022 1032 K CA -0.518 55.943 56.287 0.289 0.000 0.946 1032 K CB 1.886 34.507 32.500 0.203 0.000 1.000 1032 K HN 1.012 nan 8.250 nan 0.000 0.468 1033 V N 0.353 120.503 119.914 0.393 0.000 2.709 1033 V HA 0.483 4.600 4.120 -0.005 0.000 0.308 1033 V C -0.945 175.377 176.094 0.381 0.000 1.062 1033 V CA -1.157 61.389 62.300 0.410 0.000 0.901 1033 V CB 1.765 33.882 31.823 0.489 0.000 1.003 1033 V HN 0.584 nan 8.190 nan 0.000 0.425 1034 L N 4.230 125.626 121.223 0.289 0.000 2.307 1034 L HA 0.934 5.271 4.340 -0.005 0.000 0.284 1034 L C 0.329 177.237 176.870 0.064 0.000 1.023 1034 L CA 0.696 55.644 54.840 0.179 0.000 0.810 1034 L CB 1.071 43.173 42.059 0.073 0.000 1.231 1034 L HN 1.056 nan 8.230 nan 0.000 0.423 1035 G N 4.840 113.500 108.800 -0.233 0.000 3.122 1035 G HA2 0.636 4.593 3.960 -0.005 0.000 0.180 1035 G HA3 0.636 4.593 3.960 -0.005 0.000 0.180 1035 G C -1.249 173.289 174.900 -0.603 0.000 1.279 1035 G CA -0.500 44.141 45.100 -0.765 0.000 0.987 1035 G HN 0.715 nan 8.290 nan 0.000 0.589 1036 K N -1.334 118.657 120.400 -0.682 0.000 2.532 1036 K HA 0.608 4.924 4.320 -0.005 0.000 0.265 1036 K C -1.810 174.551 176.600 -0.399 0.000 0.948 1036 K CA -0.847 55.173 56.287 -0.445 0.000 0.842 1036 K CB 2.002 34.349 32.500 -0.254 0.000 1.392 1036 K HN 0.294 nan 8.250 nan 0.000 0.436 1037 F N 1.292 121.178 119.950 -0.106 0.000 2.408 1037 F HA 0.440 4.964 4.527 -0.006 0.000 0.344 1037 F C -0.352 175.433 175.800 -0.026 0.000 1.112 1037 F CA -0.956 57.013 58.000 -0.052 0.000 1.096 1037 F CB 2.049 41.038 39.000 -0.018 0.000 1.129 1037 F HN 0.086 nan 8.300 nan 0.000 0.486 1038 V N 2.852 122.900 119.914 0.223 0.000 2.531 1038 V HA 0.338 4.455 4.120 -0.005 0.000 0.301 1038 V C -0.490 175.676 176.094 0.119 0.000 1.034 1038 V CA -0.747 61.636 62.300 0.137 0.000 0.865 1038 V CB 1.909 33.801 31.823 0.115 0.000 0.995 1038 V HN 0.743 nan 8.190 nan 0.000 0.424 1039 S N 4.351 120.107 115.700 0.093 0.000 2.578 1039 S HA 0.743 5.210 4.470 -0.005 0.000 0.283 1039 S C -0.681 173.972 174.600 0.088 0.000 1.195 1039 S CA -0.446 57.802 58.200 0.080 0.000 1.050 1039 S CB 1.573 64.813 63.200 0.067 0.000 1.012 1039 S HN 0.527 nan 8.310 nan 0.000 0.511 1040 L N 2.588 123.873 121.223 0.103 0.000 2.349 1040 L HA 0.467 4.804 4.340 -0.005 0.000 0.278 1040 L C -0.282 176.735 176.870 0.245 0.000 0.996 1040 L CA -0.647 54.275 54.840 0.137 0.000 0.825 1040 L CB 1.368 43.424 42.059 -0.005 0.000 1.243 1040 L HN 0.644 nan 8.230 nan 0.000 0.412 1041 E N 3.789 124.108 120.200 0.199 0.000 2.924 1041 E HA 0.302 4.648 4.350 -0.005 0.000 0.236 1041 E C 1.064 177.778 176.600 0.190 0.000 1.028 1041 E CA 1.644 58.145 56.400 0.169 0.000 0.952 1041 E CB -0.306 29.482 29.700 0.146 0.000 0.918 1041 E HN 0.829 nan 8.360 nan 0.000 0.536 1042 G N 3.529 112.393 108.800 0.106 0.000 2.307 1042 G HA2 -0.238 3.718 3.960 -0.005 0.000 0.210 1042 G HA3 -0.238 3.718 3.960 -0.005 0.000 0.210 1042 G C -0.117 174.663 174.900 -0.200 0.000 1.005 1042 G CA -0.196 44.873 45.100 -0.052 0.000 0.634 1042 G HN 0.389 nan 8.290 nan 0.000 0.496 1043 F N 1.520 121.441 119.950 -0.049 0.000 2.408 1043 F HA 0.730 5.254 4.527 -0.006 0.000 0.344 1043 F C 1.461 177.235 175.800 -0.044 0.000 1.112 1043 F CA -0.024 57.938 58.000 -0.063 0.000 1.096 1043 F CB 1.717 40.670 39.000 -0.077 0.000 1.129 1043 F HN 0.155 nan 8.300 nan 0.000 0.486 1044 A N 2.098 124.962 122.820 0.073 0.000 1.872 1044 A HA -0.121 4.196 4.320 -0.005 0.000 0.214 1044 A C 1.097 178.699 177.584 0.029 0.000 1.187 1044 A CA 0.820 52.874 52.037 0.029 0.000 0.614 1044 A CB -0.524 18.473 19.000 -0.006 0.000 0.826 1044 A HN 0.668 nan 8.150 nan 0.000 0.442 1045 Q N 1.252 121.085 119.800 0.056 0.000 2.295 1045 Q HA 0.369 4.706 4.340 -0.005 0.000 0.259 1045 Q C -2.522 173.492 176.000 0.023 0.000 0.976 1045 Q CA -2.353 53.459 55.803 0.015 0.000 0.923 1045 Q CB 0.805 29.568 28.738 0.042 0.000 1.185 1045 Q HN 0.341 nan 8.270 nan 0.000 0.410 1046 P HA 0.095 nan 4.420 nan 0.000 0.277 1046 P C -0.936 176.435 177.300 0.119 0.000 1.240 1046 P CA -0.391 62.704 63.100 -0.008 0.000 0.798 1046 P CB 0.987 32.602 31.700 -0.143 0.000 0.979 1047 V N 1.579 121.597 119.914 0.174 0.000 2.546 1047 V HA 0.396 4.513 4.120 -0.005 0.000 0.284 1047 V C 0.794 177.077 176.094 0.316 0.000 1.050 1047 V CA -0.520 61.914 62.300 0.224 0.000 0.981 1047 V CB 0.764 32.686 31.823 0.165 0.000 0.990 1047 V HN 0.753 nan 8.190 nan 0.000 0.474 1048 A N 6.779 129.790 122.820 0.319 0.000 2.289 1048 A HA 0.761 5.078 4.320 -0.005 0.000 0.298 1048 A C -0.450 177.130 177.584 -0.006 0.000 1.208 1048 A CA -0.337 51.766 52.037 0.111 0.000 0.845 1048 A CB 0.035 19.172 19.000 0.228 0.000 1.125 1048 A HN 0.766 nan 8.150 nan 0.000 0.517 1049 I N 2.037 122.407 120.570 -0.332 0.000 2.433 1049 I HA 0.452 4.619 4.170 -0.005 0.000 0.292 1049 I C -1.313 174.410 176.117 -0.658 0.000 1.001 1049 I CA -0.335 60.734 61.300 -0.386 0.000 1.119 1049 I CB 1.788 39.593 38.000 -0.325 0.000 1.289 1049 I HN 0.542 nan 8.210 nan 0.000 0.438 1050 F N 6.286 126.086 119.950 -0.249 0.000 2.499 1050 F HA 0.534 5.058 4.527 -0.005 0.000 0.333 1050 F C -0.393 175.271 175.800 -0.226 0.000 1.138 1050 F CA -0.531 57.376 58.000 -0.155 0.000 0.945 1050 F CB 1.355 40.353 39.000 -0.004 0.000 1.181 1050 F HN 0.088 nan 8.300 nan 0.000 0.435 1051 L N 2.540 123.698 121.223 -0.108 0.000 2.317 1051 L HA 0.708 5.045 4.340 -0.005 0.000 0.281 1051 L C 0.748 177.553 176.870 -0.108 0.000 1.024 1051 L CA -0.968 53.778 54.840 -0.156 0.000 0.810 1051 L CB 1.696 43.540 42.059 -0.359 0.000 1.240 1051 L HN 0.889 nan 8.230 nan 0.000 0.427 1052 G N 3.407 112.169 108.800 -0.063 0.000 2.256 1052 G HA2 -0.241 3.716 3.960 -0.005 0.000 0.272 1052 G HA3 -0.241 3.716 3.960 -0.005 0.000 0.272 1052 G C -0.221 174.721 174.900 0.070 0.000 1.076 1052 G CA -0.389 44.647 45.100 -0.106 0.000 0.882 1052 G HN 0.483 nan 8.290 nan 0.000 0.497 1053 I N 2.104 122.738 120.570 0.107 0.000 2.371 1053 I HA 0.260 4.426 4.170 -0.005 0.000 0.290 1053 I C -1.443 174.711 176.117 0.062 0.000 1.028 1053 I CA -2.229 59.113 61.300 0.069 0.000 1.345 1053 I CB 1.325 39.296 38.000 -0.049 0.000 1.407 1053 I HN 0.003 nan 8.210 nan 0.000 0.501 1054 P HA 0.072 nan 4.420 nan 0.000 0.281 1054 P C -0.262 176.903 177.300 -0.225 0.000 1.252 1054 P CA -0.119 62.799 63.100 -0.303 0.000 0.778 1054 P CB 0.668 32.209 31.700 -0.265 0.000 0.895 1055 F N 1.204 120.941 119.950 -0.355 0.000 2.682 1055 F HA 0.730 5.254 4.527 -0.006 0.000 0.308 1055 F C 0.072 175.870 175.800 -0.004 0.000 1.093 1055 F CA -0.896 56.933 58.000 -0.285 0.000 1.244 1055 F CB 0.107 38.862 39.000 -0.410 0.000 1.052 1055 F HN 0.373 nan 8.300 nan 0.000 0.573 1056 A N 0.502 123.097 122.820 -0.375 0.000 2.599 1056 A HA 0.524 4.840 4.320 -0.005 0.000 0.290 1056 A C -1.296 176.127 177.584 -0.269 0.000 1.101 1056 A CA -1.122 50.784 52.037 -0.219 0.000 0.674 1056 A CB 0.905 19.744 19.000 -0.268 0.000 1.277 1056 A HN 0.179 nan 8.150 nan 0.000 0.419 1057 K N 0.510 120.814 120.400 -0.160 0.000 2.270 1057 K HA 0.450 4.766 4.320 -0.005 0.000 0.276 1057 K C -2.476 174.008 176.600 -0.193 0.000 1.023 1057 K CA -1.585 54.612 56.287 -0.149 0.000 0.955 1057 K CB 0.449 32.898 32.500 -0.084 0.000 0.975 1057 K HN 0.315 nan 8.250 nan 0.000 0.471 1058 P HA -0.007 nan 4.420 nan 0.000 0.261 1058 P C -2.403 174.811 177.300 -0.144 0.000 1.203 1058 P CA -0.832 62.160 63.100 -0.181 0.000 0.767 1058 P CB 0.242 31.867 31.700 -0.126 0.000 0.785 1059 P HA 0.045 nan 4.420 nan 0.000 0.231 1059 P C -0.701 176.514 177.300 -0.141 0.000 1.756 1059 P CA 0.473 63.486 63.100 -0.144 0.000 0.990 1059 P CB -0.013 31.600 31.700 -0.145 0.000 1.973 1060 L N 0.007 121.160 121.223 -0.118 0.000 2.352 1060 L HA 0.610 4.947 4.340 -0.005 0.000 0.269 1060 L C 1.645 178.454 176.870 -0.101 0.000 1.034 1060 L CA -0.389 54.390 54.840 -0.102 0.000 0.806 1060 L CB 0.803 42.815 42.059 -0.078 0.000 1.244 1060 L HN 0.307 nan 8.230 nan 0.000 0.447 1061 G N 1.709 110.452 108.800 -0.095 0.000 2.629 1061 G HA2 -0.293 3.664 3.960 -0.005 0.000 0.313 1061 G HA3 -0.293 3.664 3.960 -0.005 0.000 0.313 1061 G C -1.235 173.604 174.900 -0.102 0.000 1.217 1061 G CA 0.349 45.398 45.100 -0.085 0.000 0.994 1061 G HN 0.622 nan 8.290 nan 0.000 0.549 1062 P HA 0.051 nan 4.420 nan 0.000 0.225 1062 P C 1.963 179.208 177.300 -0.092 0.000 1.148 1062 P CA 1.317 64.384 63.100 -0.056 0.000 0.779 1062 P CB -0.102 31.584 31.700 -0.024 0.000 0.780 1063 L N -1.166 119.985 121.223 -0.121 0.000 2.492 1063 L HA 0.092 4.429 4.340 -0.005 0.000 0.223 1063 L C 1.804 178.518 176.870 -0.260 0.000 1.132 1063 L CA -0.114 54.634 54.840 -0.154 0.000 0.850 1063 L CB -0.444 41.540 42.059 -0.124 0.000 0.966 1063 L HN -0.060 nan 8.230 nan 0.000 0.454 1064 R N 0.682 120.988 120.500 -0.324 0.000 2.623 1064 R HA -0.054 4.283 4.340 -0.005 0.000 0.271 1064 R C -0.159 175.735 176.300 -0.677 0.000 1.043 1064 R CA -0.070 55.672 56.100 -0.597 0.000 1.083 1064 R CB 0.216 30.059 30.300 -0.760 0.000 0.974 1064 R HN 0.060 nan 8.270 nan 0.000 0.436 1065 F N -0.028 119.549 119.950 -0.620 0.000 3.074 1065 F HA -0.269 4.254 4.527 -0.006 0.000 0.289 1065 F C 0.106 174.942 175.800 -1.605 0.000 0.863 1065 F CA 1.374 58.659 58.000 -1.192 0.000 1.121 1065 F CB -2.690 36.058 39.000 -0.419 0.000 1.169 1065 F HN 0.658 nan 8.300 nan 0.000 0.570 1066 T N -3.715 110.153 114.554 -1.143 0.000 2.883 1066 T HA 0.785 5.131 4.350 -0.005 0.000 0.296 1066 T C -2.981 171.568 174.700 -0.252 0.000 1.117 1066 T CA -2.471 59.233 62.100 -0.660 0.000 1.006 1066 T CB 3.317 72.040 68.868 -0.242 0.000 1.191 1066 T HN -0.249 nan 8.240 nan 0.000 0.508 1067 P HA 0.252 nan 4.420 nan 0.000 0.268 1067 P C -2.362 175.012 177.300 0.124 0.000 1.208 1067 P CA -0.904 62.351 63.100 0.259 0.000 0.777 1067 P CB -0.288 31.559 31.700 0.245 0.000 0.875 1068 P HA 0.080 nan 4.420 nan 0.000 0.271 1068 P C -0.787 176.565 177.300 0.087 0.000 1.216 1068 P CA 0.127 63.282 63.100 0.092 0.000 0.776 1068 P CB 0.838 32.627 31.700 0.148 0.000 0.881 1069 Q N 2.829 122.654 119.800 0.041 0.000 2.241 1069 Q HA 0.460 4.797 4.340 -0.005 0.000 0.262 1069 Q C -2.283 173.752 176.000 0.058 0.000 1.014 1069 Q CA -2.198 53.634 55.803 0.049 0.000 0.885 1069 Q CB 0.350 29.099 28.738 0.017 0.000 1.311 1069 Q HN 0.357 nan 8.270 nan 0.000 0.461 1070 P HA -0.033 nan 4.420 nan 0.000 0.267 1070 P C -1.191 176.115 177.300 0.010 0.000 1.200 1070 P CA 0.205 63.373 63.100 0.114 0.000 0.772 1070 P CB 0.440 32.221 31.700 0.134 0.000 0.855 1071 A N 2.527 125.336 122.820 -0.019 0.000 2.407 1071 A HA 0.162 4.479 4.320 -0.005 0.000 0.248 1071 A C 0.373 177.768 177.584 -0.315 0.000 1.082 1071 A CA -0.225 51.736 52.037 -0.127 0.000 0.785 1071 A CB -0.078 18.924 19.000 0.002 0.000 1.020 1071 A HN 0.437 nan 8.150 nan 0.000 0.489 1072 E N 2.246 122.368 120.200 -0.130 0.000 2.338 1072 E HA 0.274 4.621 4.350 -0.005 0.000 0.272 1072 E C -2.116 174.464 176.600 -0.034 0.000 1.029 1072 E CA -1.542 54.803 56.400 -0.092 0.000 0.872 1072 E CB 0.551 30.253 29.700 0.002 0.000 1.015 1072 E HN 0.490 nan 8.360 nan 0.000 0.417 1073 P HA 0.104 nan 4.420 nan 0.000 0.272 1073 P C -0.795 176.554 177.300 0.082 0.000 1.223 1073 P CA -0.198 62.842 63.100 -0.099 0.000 0.784 1073 P CB 0.315 31.966 31.700 -0.081 0.000 0.923 1074 W N 0.299 121.623 121.300 0.041 0.000 2.864 1074 W HA 0.659 5.316 4.660 -0.005 0.000 0.343 1074 W C -0.928 175.567 176.519 -0.040 0.000 1.109 1074 W CA -0.865 56.489 57.345 0.015 0.000 1.192 1074 W CB 0.263 29.758 29.460 0.060 0.000 1.426 1074 W HN 0.140 nan 8.180 nan 0.000 0.529 1075 S N 1.782 117.537 115.700 0.092 0.000 2.669 1075 S HA 0.670 5.136 4.470 -0.005 0.000 0.270 1075 S C -0.170 174.378 174.600 -0.086 0.000 1.225 1075 S CA -0.210 57.813 58.200 -0.295 0.000 0.991 1075 S CB 0.250 62.976 63.200 -0.790 0.000 0.987 1075 S HN 0.621 nan 8.310 nan 0.000 0.552 1076 F N -1.501 118.546 119.950 0.162 0.000 2.182 1076 F HA -0.264 4.260 4.527 -0.006 0.000 0.318 1076 F C -0.087 175.854 175.800 0.235 0.000 0.129 1076 F CA 0.042 58.137 58.000 0.158 0.000 0.911 1076 F CB -1.127 37.948 39.000 0.126 0.000 4.131 1076 F HN 0.319 nan 8.300 nan 0.000 0.140 1077 V N 0.798 120.972 119.914 0.433 0.000 2.357 1077 V HA 0.312 4.429 4.120 -0.005 0.000 0.284 1077 V C -0.032 176.205 176.094 0.237 0.000 1.018 1077 V CA -0.895 61.599 62.300 0.324 0.000 0.841 1077 V CB 1.370 33.322 31.823 0.215 0.000 0.991 1077 V HN 0.481 nan 8.190 nan 0.000 0.437 1078 K N 4.218 124.746 120.400 0.213 0.000 2.339 1078 K HA 0.177 4.494 4.320 -0.005 0.000 0.286 1078 K C 0.135 176.737 176.600 0.004 0.000 1.050 1078 K CA -0.403 55.844 56.287 -0.066 0.000 0.956 1078 K CB 0.460 32.642 32.500 -0.531 0.000 0.990 1078 K HN 0.678 nan 8.250 nan 0.000 0.475 1079 N N 3.087 121.764 118.700 -0.038 0.000 2.442 1079 N HA 0.088 4.825 4.740 -0.005 0.000 0.265 1079 N C -1.261 174.213 175.510 -0.060 0.000 1.138 1079 N CA 0.013 53.044 53.050 -0.033 0.000 0.956 1079 N CB 1.213 39.668 38.487 -0.054 0.000 1.067 1079 N HN 0.618 nan 8.380 nan 0.000 0.474 1080 A N 2.892 125.698 122.820 -0.023 0.000 3.215 1080 A HA 0.245 4.562 4.320 -0.005 0.000 0.320 1080 A C 0.695 178.203 177.584 -0.127 0.000 1.084 1080 A CA -0.505 51.510 52.037 -0.037 0.000 0.969 1080 A CB -0.498 18.579 19.000 0.127 0.000 1.064 1080 A HN 0.653 nan 8.150 nan 0.000 0.513 1081 T N -3.436 111.013 114.554 -0.175 0.000 3.170 1081 T HA 0.362 4.709 4.350 -0.005 0.000 0.288 1081 T C 0.230 174.756 174.700 -0.291 0.000 0.992 1081 T CA -0.008 61.948 62.100 -0.239 0.000 0.909 1081 T CB 0.003 68.756 68.868 -0.192 0.000 1.133 1081 T HN 0.158 nan 8.240 nan 0.000 0.530 1082 S N 0.952 116.482 115.700 -0.283 0.000 2.500 1082 S HA 0.619 5.086 4.470 -0.005 0.000 0.301 1082 S C -1.175 173.236 174.600 -0.316 0.000 1.092 1082 S CA -0.715 57.318 58.200 -0.280 0.000 1.030 1082 S CB 0.755 63.851 63.200 -0.172 0.000 1.031 1082 S HN 0.349 nan 8.310 nan 0.000 0.483 1083 Y N 3.725 123.961 120.300 -0.106 0.000 2.610 1083 Y HA 0.198 4.745 4.550 -0.005 0.000 0.332 1083 Y C -1.321 174.476 175.900 -0.171 0.000 1.201 1083 Y CA -1.109 56.927 58.100 -0.106 0.000 1.465 1083 Y CB -0.078 38.339 38.460 -0.073 0.000 1.283 1083 Y HN 0.424 nan 8.280 nan 0.000 0.563 1084 P HA 0.237 nan 4.420 nan 0.000 0.277 1084 P C -2.709 174.507 177.300 -0.140 0.000 1.271 1084 P CA -1.696 61.233 63.100 -0.285 0.000 0.795 1084 P CB 0.621 32.049 31.700 -0.453 0.000 1.101 1085 P HA 0.251 nan 4.420 nan 0.000 0.274 1085 P C -0.094 177.170 177.300 -0.060 0.000 1.237 1085 P CA -0.201 62.840 63.100 -0.098 0.000 0.793 1085 P CB 0.251 31.891 31.700 -0.100 0.000 0.977 1086 M N -0.082 119.470 119.600 -0.080 0.000 2.359 1086 M HA 0.478 4.954 4.480 -0.005 0.000 0.322 1086 M C -0.685 175.541 176.300 -0.122 0.000 1.166 1086 M CA -0.539 54.709 55.300 -0.087 0.000 1.067 1086 M CB 0.526 33.057 32.600 -0.116 0.000 1.523 1086 M HN 0.118 nan 8.290 nan 0.000 0.467 1087 c N 1.668 120.188 118.600 -0.134 0.000 2.679 1087 c HA 0.171 4.738 4.570 -0.005 0.000 0.417 1087 c C 0.882 174.791 174.090 -0.303 0.000 1.302 1087 c CA -0.269 55.930 56.329 -0.215 0.000 1.973 1087 c CB -0.179 42.224 42.510 -0.179 0.000 2.715 1087 c HN 0.866 nan 8.230 nan 0.000 0.628 1088 T N 4.238 118.467 114.554 -0.541 0.000 2.891 1088 T HA 0.264 4.611 4.350 -0.005 0.000 0.296 1088 T C -0.018 174.428 174.700 -0.424 0.000 1.025 1088 T CA 0.524 62.221 62.100 -0.671 0.000 1.149 1088 T CB -0.237 67.756 68.868 -1.457 0.000 1.007 1088 T HN 0.883 nan 8.240 nan 0.000 0.528 1089 Q N 1.005 120.700 119.800 -0.174 0.000 2.756 1089 Q HA 0.287 4.624 4.340 -0.005 0.000 0.295 1089 Q C -1.651 174.372 176.000 0.038 0.000 0.903 1089 Q CA -1.160 54.647 55.803 0.006 0.000 0.768 1089 Q CB 0.898 29.631 28.738 -0.009 0.000 1.472 1089 Q HN 0.383 nan 8.270 nan 0.000 0.416 1090 D N 2.440 122.891 120.400 0.086 0.000 2.402 1090 D HA 0.017 4.653 4.640 -0.005 0.000 0.268 1090 D C -1.191 175.121 176.300 0.021 0.000 1.294 1090 D CA -1.162 52.879 54.000 0.069 0.000 0.945 1090 D CB 1.036 41.886 40.800 0.083 0.000 1.112 1090 D HN 0.324 nan 8.370 nan 0.000 0.517 1091 P HA -0.178 nan 4.420 nan 0.000 0.218 1091 P C 0.910 178.196 177.300 -0.022 0.000 1.148 1091 P CA 1.203 64.291 63.100 -0.020 0.000 0.822 1091 P CB 0.438 32.126 31.700 -0.020 0.000 0.784 1092 K N -0.050 120.343 120.400 -0.010 0.000 2.031 1092 K HA 0.041 4.357 4.320 -0.005 0.000 0.205 1092 K C 2.460 179.047 176.600 -0.022 0.000 1.049 1092 K CA 1.242 57.520 56.287 -0.015 0.000 0.939 1092 K CB -0.560 31.936 32.500 -0.007 0.000 0.717 1092 K HN 0.011 nan 8.250 nan 0.000 0.438 1093 A N 1.437 124.250 122.820 -0.011 0.000 1.898 1093 A HA -0.070 4.246 4.320 -0.005 0.000 0.216 1093 A C 2.415 179.977 177.584 -0.037 0.000 1.181 1093 A CA 1.855 53.881 52.037 -0.018 0.000 0.620 1093 A CB -1.154 17.851 19.000 0.009 0.000 0.819 1093 A HN 0.415 nan 8.150 nan 0.000 0.442 1094 G N -0.895 107.885 108.800 -0.033 0.000 2.402 1094 G HA2 -0.254 3.703 3.960 -0.005 0.000 0.216 1094 G HA3 -0.254 3.703 3.960 -0.005 0.000 0.216 1094 G C 1.631 176.484 174.900 -0.079 0.000 1.162 1094 G CA 1.080 46.148 45.100 -0.054 0.000 0.777 1094 G HN 0.626 nan 8.290 nan 0.000 0.539 1095 Q N -0.569 119.189 119.800 -0.070 0.000 2.167 1095 Q HA -0.014 4.323 4.340 -0.005 0.000 0.202 1095 Q C 2.381 178.333 176.000 -0.080 0.000 0.970 1095 Q CA 0.921 56.677 55.803 -0.078 0.000 0.855 1095 Q CB -0.191 28.510 28.738 -0.062 0.000 0.911 1095 Q HN 0.386 nan 8.270 nan 0.000 0.438 1096 L N 0.482 121.661 121.223 -0.072 0.000 2.027 1096 L HA -0.130 4.206 4.340 -0.005 0.000 0.206 1096 L C 2.097 178.894 176.870 -0.122 0.000 1.074 1096 L CA 1.511 56.307 54.840 -0.074 0.000 0.745 1096 L CB -0.781 41.240 42.059 -0.063 0.000 0.898 1096 L HN 0.405 nan 8.230 nan 0.000 0.433 1097 L N -1.100 120.027 121.223 -0.160 0.000 2.046 1097 L HA -0.168 4.169 4.340 -0.005 0.000 0.208 1097 L C 2.669 179.375 176.870 -0.273 0.000 1.077 1097 L CA 2.097 56.765 54.840 -0.286 0.000 0.747 1097 L CB -0.924 40.997 42.059 -0.230 0.000 0.896 1097 L HN 0.441 nan 8.230 nan 0.000 0.432 1098 S N -0.645 114.952 115.700 -0.172 0.000 2.368 1098 S HA -0.215 4.252 4.470 -0.005 0.000 0.225 1098 S C 2.143 176.657 174.600 -0.143 0.000 1.030 1098 S CA 1.536 59.634 58.200 -0.171 0.000 0.999 1098 S CB -0.342 62.757 63.200 -0.168 0.000 0.844 1098 S HN 0.679 nan 8.310 nan 0.000 0.459 1099 E N 0.881 121.019 120.200 -0.102 0.000 2.150 1099 E HA 0.023 4.369 4.350 -0.005 0.000 0.193 1099 E C 1.990 178.602 176.600 0.019 0.000 0.985 1099 E CA 1.322 57.693 56.400 -0.048 0.000 0.814 1099 E CB -0.899 28.782 29.700 -0.032 0.000 0.752 1099 E HN 0.708 nan 8.360 nan 0.000 0.466 1100 L N -1.399 119.820 121.223 -0.005 0.000 2.240 1100 L HA 0.069 4.405 4.340 -0.005 0.000 0.211 1100 L C 2.047 179.141 176.870 0.373 0.000 1.106 1100 L CA 0.760 55.668 54.840 0.113 0.000 0.793 1100 L CB 0.054 42.082 42.059 -0.051 0.000 0.927 1100 L HN 0.262 nan 8.230 nan 0.000 0.446 1101 F N -1.191 118.750 119.950 -0.015 0.000 2.717 1101 F HA 0.147 4.671 4.527 -0.006 0.000 0.295 1101 F C 1.588 177.114 175.800 -0.458 0.000 1.117 1101 F CA -0.502 57.366 58.000 -0.221 0.000 1.361 1101 F CB -0.694 38.189 39.000 -0.196 0.000 1.112 1101 F HN -0.198 nan 8.300 nan 0.000 0.594 1102 T N 2.344 116.787 114.554 -0.186 0.000 2.946 1102 T HA -0.044 4.303 4.350 -0.005 0.000 0.311 1102 T C 1.325 175.896 174.700 -0.215 0.000 1.063 1102 T CA 0.083 61.980 62.100 -0.337 0.000 1.139 1102 T CB 0.289 69.003 68.868 -0.257 0.000 0.994 1102 T HN 0.353 nan 8.240 nan 0.000 0.547 1103 N N 4.168 122.683 118.700 -0.309 0.000 2.280 1103 N HA 0.007 4.744 4.740 -0.005 0.000 0.192 1103 N C 0.425 175.828 175.510 -0.180 0.000 1.109 1103 N CA -0.283 52.632 53.050 -0.225 0.000 0.855 1103 N CB 0.019 38.367 38.487 -0.230 0.000 0.974 1103 N HN 0.693 nan 8.380 nan 0.000 0.482 1104 R N 0.847 121.254 120.500 -0.155 0.000 2.528 1104 R HA 0.263 4.600 4.340 -0.005 0.000 0.271 1104 R C 1.100 177.358 176.300 -0.071 0.000 1.056 1104 R CA -0.707 55.337 56.100 -0.094 0.000 1.117 1104 R CB 0.950 31.200 30.300 -0.082 0.000 1.085 1104 R HN -0.010 nan 8.270 nan 0.000 0.530 1105 K N 0.226 120.606 120.400 -0.033 0.000 2.280 1105 K HA -0.115 4.202 4.320 -0.005 0.000 0.202 1105 K C -0.222 176.370 176.600 -0.013 0.000 1.047 1105 K CA 1.180 57.460 56.287 -0.011 0.000 0.942 1105 K CB 0.131 32.639 32.500 0.013 0.000 0.739 1105 K HN 0.724 nan 8.250 nan 0.000 0.457 1106 E N 1.202 121.384 120.200 -0.029 0.000 2.256 1106 E HA 0.153 4.500 4.350 -0.005 0.000 0.268 1106 E C -1.723 174.833 176.600 -0.074 0.000 0.877 1106 E CA -1.103 55.275 56.400 -0.037 0.000 0.757 1106 E CB 0.973 30.658 29.700 -0.024 0.000 1.183 1106 E HN 0.125 nan 8.360 nan 0.000 0.418 1107 N N 3.242 121.896 118.700 -0.077 0.000 2.497 1107 N HA 0.121 4.857 4.740 -0.005 0.000 0.268 1107 N C -0.433 174.994 175.510 -0.138 0.000 1.171 1107 N CA -0.354 52.626 53.050 -0.117 0.000 0.948 1107 N CB 0.367 38.798 38.487 -0.094 0.000 1.069 1107 N HN 0.441 nan 8.380 nan 0.000 0.460 1108 I N 5.448 125.890 120.570 -0.213 0.000 2.337 1108 I HA 0.226 4.393 4.170 -0.005 0.000 0.291 1108 I C -1.869 174.130 176.117 -0.197 0.000 1.046 1108 I CA -2.301 58.849 61.300 -0.250 0.000 1.324 1108 I CB 0.411 38.104 38.000 -0.512 0.000 1.409 1108 I HN 0.475 nan 8.210 nan 0.000 0.494 1109 P HA 0.257 nan 4.420 nan 0.000 0.271 1109 P C -0.760 176.479 177.300 -0.103 0.000 1.226 1109 P CA -0.088 62.952 63.100 -0.100 0.000 0.765 1109 P CB 1.057 32.716 31.700 -0.068 0.000 0.835 1110 L N 2.608 123.768 121.223 -0.105 0.000 2.334 1110 L HA 0.503 4.840 4.340 -0.005 0.000 0.270 1110 L C 0.794 177.616 176.870 -0.079 0.000 1.018 1110 L CA -1.229 53.554 54.840 -0.095 0.000 0.811 1110 L CB 1.329 43.321 42.059 -0.112 0.000 1.271 1110 L HN 0.206 nan 8.230 nan 0.000 0.443 1111 K N 1.057 121.413 120.400 -0.074 0.000 2.090 1111 K HA 0.630 4.946 4.320 -0.005 0.000 0.249 1111 K C -0.906 175.640 176.600 -0.090 0.000 0.995 1111 K CA -0.247 55.996 56.287 -0.075 0.000 0.914 1111 K CB 1.017 33.474 32.500 -0.072 0.000 1.057 1111 K HN 0.356 nan 8.250 nan 0.000 0.462 1112 L N 0.762 121.928 121.223 -0.095 0.000 2.325 1112 L HA 0.613 4.949 4.340 -0.005 0.000 0.278 1112 L C -0.268 176.519 176.870 -0.139 0.000 1.023 1112 L CA -0.596 54.169 54.840 -0.125 0.000 0.811 1112 L CB 1.880 43.864 42.059 -0.125 0.000 1.249 1112 L HN 0.579 nan 8.230 nan 0.000 0.431 1113 S N 0.302 115.892 115.700 -0.183 0.000 2.586 1113 S HA 0.182 4.648 4.470 -0.005 0.000 0.277 1113 S C -0.044 174.401 174.600 -0.258 0.000 1.131 1113 S CA -0.592 57.498 58.200 -0.183 0.000 0.848 1113 S CB 1.445 64.577 63.200 -0.112 0.000 1.091 1113 S HN 0.756 nan 8.310 nan 0.000 0.453 1114 E N 0.830 120.869 120.200 -0.268 0.000 2.358 1114 E HA -0.021 4.326 4.350 -0.005 0.000 0.195 1114 E C -0.313 176.174 176.600 -0.188 0.000 1.010 1114 E CA 0.364 56.573 56.400 -0.318 0.000 0.856 1114 E CB 0.090 29.642 29.700 -0.246 0.000 0.795 1114 E HN 0.508 nan 8.360 nan 0.000 0.504 1115 D N 0.718 121.049 120.400 -0.115 0.000 2.517 1115 D HA 0.003 4.640 4.640 -0.005 0.000 0.220 1115 D C 0.011 176.354 176.300 0.071 0.000 1.158 1115 D CA -0.380 53.594 54.000 -0.045 0.000 0.992 1115 D CB -0.034 40.767 40.800 0.002 0.000 1.058 1115 D HN 0.163 nan 8.370 nan 0.000 0.516 1116 c N 2.379 120.972 118.600 -0.011 0.000 3.626 1116 c HA 0.392 4.959 4.570 -0.005 0.000 0.276 1116 c C 0.644 174.734 174.090 -0.000 0.000 1.694 1116 c CA -0.712 55.679 56.329 0.103 0.000 1.785 1116 c CB -1.343 41.157 42.510 -0.018 0.000 3.152 1116 c HN 0.434 nan 8.230 nan 0.000 0.571 1117 L N 2.462 123.435 121.223 -0.417 0.000 2.384 1117 L HA 0.390 4.726 4.340 -0.005 0.000 0.258 1117 L C -0.765 175.411 176.870 -1.155 0.000 1.266 1117 L CA 0.467 54.853 54.840 -0.757 0.000 1.162 1117 L CB -0.725 40.754 42.059 -0.967 0.000 1.375 1117 L HN 0.400 nan 8.230 nan 0.000 0.420 1118 Y N 1.718 121.915 120.300 -0.171 0.000 2.633 1118 Y HA 0.716 5.263 4.550 -0.005 0.000 0.339 1118 Y C -0.117 175.927 175.900 0.240 0.000 1.045 1118 Y CA -1.247 56.839 58.100 -0.025 0.000 1.098 1118 Y CB 1.905 40.334 38.460 -0.053 0.000 1.296 1118 Y HN 0.146 nan 8.280 nan 0.000 0.494 1119 L N -0.336 121.065 121.223 0.297 0.000 2.424 1119 L HA 0.742 5.078 4.340 -0.005 0.000 0.258 1119 L C -1.472 175.460 176.870 0.104 0.000 0.995 1119 L CA -1.136 53.817 54.840 0.188 0.000 0.821 1119 L CB 1.770 43.850 42.059 0.035 0.000 1.383 1119 L HN 0.403 nan 8.230 nan 0.000 0.410 1120 N N 1.606 120.394 118.700 0.147 0.000 2.314 1120 N HA 0.741 5.477 4.740 -0.005 0.000 0.304 1120 N C -1.201 174.354 175.510 0.075 0.000 1.073 1120 N CA -0.248 52.856 53.050 0.089 0.000 0.822 1120 N CB 2.598 41.200 38.487 0.191 0.000 1.280 1120 N HN 0.679 nan 8.380 nan 0.000 0.489 1121 I N 1.593 122.108 120.570 -0.093 0.000 2.509 1121 I HA 0.340 4.506 4.170 -0.005 0.000 0.293 1121 I C -1.167 174.861 176.117 -0.148 0.000 1.020 1121 I CA -0.782 60.503 61.300 -0.025 0.000 1.088 1121 I CB 1.398 39.282 38.000 -0.194 0.000 1.267 1121 I HN 0.337 nan 8.210 nan 0.000 0.430 1122 Y N 3.090 123.513 120.300 0.206 0.000 2.426 1122 Y HA 0.375 4.921 4.550 -0.006 0.000 0.325 1122 Y C 0.231 176.259 175.900 0.214 0.000 0.989 1122 Y CA -0.732 57.493 58.100 0.208 0.000 1.284 1122 Y CB 1.936 40.501 38.460 0.175 0.000 1.104 1122 Y HN 0.369 nan 8.280 nan 0.000 0.481 1123 T N 4.953 119.719 114.554 0.353 0.000 2.792 1123 T HA 0.363 4.710 4.350 -0.005 0.000 0.280 1123 T C -2.149 172.715 174.700 0.273 0.000 0.990 1123 T CA -2.344 59.944 62.100 0.313 0.000 0.960 1123 T CB 1.370 70.455 68.868 0.362 0.000 0.939 1123 T HN 0.349 nan 8.240 nan 0.000 0.439 1124 P HA 0.277 nan 4.420 nan 0.000 0.255 1124 P C 0.287 177.682 177.300 0.158 0.000 1.248 1124 P CA -0.154 63.041 63.100 0.159 0.000 0.807 1124 P CB 0.082 31.841 31.700 0.099 0.000 1.150 1125 A N 1.019 123.945 122.820 0.177 0.000 2.425 1125 A HA 0.136 4.453 4.320 -0.005 0.000 0.242 1125 A C -0.040 177.644 177.584 0.167 0.000 1.077 1125 A CA -0.058 52.071 52.037 0.152 0.000 0.781 1125 A CB -0.423 18.666 19.000 0.147 0.000 1.020 1125 A HN 0.021 nan 8.150 nan 0.000 0.494 1126 D N 1.735 122.209 120.400 0.124 0.000 2.374 1126 D HA 0.280 4.917 4.640 -0.005 0.000 0.240 1126 D C 0.782 177.155 176.300 0.123 0.000 1.229 1126 D CA -0.107 53.965 54.000 0.120 0.000 0.895 1126 D CB 0.007 40.851 40.800 0.074 0.000 1.046 1126 D HN 0.392 nan 8.370 nan 0.000 0.498 1127 L N 2.802 124.125 121.223 0.167 0.000 2.549 1127 L HA -0.055 4.282 4.340 -0.005 0.000 0.229 1127 L C 2.164 179.085 176.870 0.085 0.000 1.158 1127 L CA 1.058 55.974 54.840 0.126 0.000 0.842 1127 L CB -0.715 41.440 42.059 0.160 0.000 0.952 1127 L HN 0.547 nan 8.230 nan 0.000 0.452 1128 T N -3.947 110.661 114.554 0.090 0.000 3.113 1128 T HA 0.068 4.415 4.350 -0.005 0.000 0.256 1128 T C 0.823 175.547 174.700 0.040 0.000 1.131 1128 T CA 0.197 62.334 62.100 0.062 0.000 1.074 1128 T CB 0.152 69.058 68.868 0.064 0.000 0.944 1128 T HN 0.239 nan 8.240 nan 0.000 0.516 1129 K N 0.218 120.643 120.400 0.042 0.000 2.279 1129 K HA 0.560 4.877 4.320 -0.005 0.000 0.238 1129 K C -0.829 175.785 176.600 0.024 0.000 1.084 1129 K CA -1.084 55.220 56.287 0.029 0.000 0.885 1129 K CB 1.629 34.148 32.500 0.030 0.000 1.319 1129 K HN -0.048 nan 8.250 nan 0.000 0.494 1130 K N 1.350 121.760 120.400 0.017 0.000 2.156 1130 K HA 0.257 4.574 4.320 -0.005 0.000 0.271 1130 K C -1.163 175.450 176.600 0.021 0.000 0.995 1130 K CA -0.227 56.067 56.287 0.012 0.000 0.890 1130 K CB 0.662 33.163 32.500 0.002 0.000 1.073 1130 K HN 0.497 nan 8.250 nan 0.000 0.454 1131 N N 1.750 120.466 118.700 0.027 0.000 2.416 1131 N HA 0.445 5.182 4.740 -0.005 0.000 0.276 1131 N C -1.475 174.055 175.510 0.033 0.000 1.261 1131 N CA -0.948 52.123 53.050 0.036 0.000 0.790 1131 N CB 1.616 40.139 38.487 0.059 0.000 1.554 1131 N HN 0.333 nan 8.380 nan 0.000 0.481 1132 R N 1.460 121.978 120.500 0.030 0.000 2.627 1132 R HA 0.308 4.645 4.340 -0.005 0.000 0.251 1132 R C -1.140 175.175 176.300 0.026 0.000 1.524 1132 R CA -0.314 55.800 56.100 0.023 0.000 1.606 1132 R CB -0.067 30.234 30.300 0.002 0.000 1.396 1132 R HN 0.559 nan 8.270 nan 0.000 0.724 1133 L N 2.370 123.622 121.223 0.048 0.000 2.453 1133 L HA 0.387 4.724 4.340 -0.005 0.000 0.261 1133 L C -1.598 175.301 176.870 0.047 0.000 1.179 1133 L CA -1.721 53.148 54.840 0.049 0.000 0.813 1133 L CB 0.306 42.409 42.059 0.073 0.000 1.110 1133 L HN -0.031 nan 8.230 nan 0.000 0.466 1134 P HA 0.063 nan 4.420 nan 0.000 0.269 1134 P C -0.917 176.422 177.300 0.065 0.000 1.209 1134 P CA -0.128 62.989 63.100 0.029 0.000 0.776 1134 P CB 1.055 32.758 31.700 0.004 0.000 0.876 1135 V N 4.317 124.282 119.914 0.085 0.000 2.459 1135 V HA 0.381 4.498 4.120 -0.005 0.000 0.295 1135 V C 0.545 176.719 176.094 0.134 0.000 1.029 1135 V CA -0.399 61.979 62.300 0.129 0.000 0.874 1135 V CB 1.283 33.198 31.823 0.154 0.000 0.985 1135 V HN 0.491 nan 8.190 nan 0.000 0.438 1136 M N 4.821 124.519 119.600 0.163 0.000 2.078 1136 M HA 0.462 4.939 4.480 -0.005 0.000 0.320 1136 M C -1.113 175.470 176.300 0.471 0.000 0.969 1136 M CA -0.559 54.849 55.300 0.180 0.000 0.929 1136 M CB 1.878 34.436 32.600 -0.069 0.000 1.504 1136 M HN 0.362 nan 8.290 nan 0.000 0.419 1137 V N 3.808 124.019 119.914 0.495 0.000 2.348 1137 V HA 0.260 4.376 4.120 -0.005 0.000 0.270 1137 V C -0.551 175.850 176.094 0.512 0.000 1.037 1137 V CA -0.524 62.042 62.300 0.444 0.000 0.872 1137 V CB 0.926 32.892 31.823 0.239 0.000 1.002 1137 V HN 0.824 nan 8.190 nan 0.000 0.464 1138 W N 7.171 128.568 121.300 0.162 0.000 2.351 1138 W HA 0.591 5.248 4.660 -0.005 0.000 0.311 1138 W C -1.181 175.239 176.519 -0.165 0.000 1.168 1138 W CA -0.842 56.333 57.345 -0.283 0.000 1.200 1138 W CB 1.232 30.501 29.460 -0.319 0.000 1.221 1138 W HN 0.426 nan 8.180 nan 0.000 0.519 1139 I N 7.177 127.110 120.570 -1.062 0.000 2.359 1139 I HA 0.041 4.208 4.170 -0.005 0.000 0.284 1139 I C 0.367 175.734 176.117 -1.250 0.000 1.018 1139 I CA -0.875 59.916 61.300 -0.848 0.000 1.173 1139 I CB 0.825 38.455 38.000 -0.617 0.000 1.326 1139 I HN 0.463 nan 8.210 nan 0.000 0.462 1140 H N 4.230 122.900 119.070 -0.666 0.000 2.836 1140 H HA 0.547 5.100 4.556 -0.005 0.000 0.368 1140 H C 0.428 175.731 175.328 -0.041 0.000 1.164 1140 H CA -0.341 55.502 56.048 -0.340 0.000 1.425 1140 H CB 0.490 30.350 29.762 0.163 0.000 1.414 1140 H HN 0.562 nan 8.280 nan 0.000 0.614 1141 G N -1.500 107.471 108.800 0.286 0.000 2.568 1141 G HA2 0.490 4.447 3.960 -0.005 0.000 0.293 1141 G HA3 0.490 4.447 3.960 -0.005 0.000 0.293 1141 G C 0.316 175.498 174.900 0.470 0.000 1.347 1141 G CA -1.048 44.240 45.100 0.314 0.000 1.039 1141 G HN 1.489 nan 8.290 nan 0.000 0.523 1142 G N -2.744 106.268 108.800 0.353 0.000 2.223 1142 G HA2 0.404 4.361 3.960 -0.005 0.000 0.200 1142 G HA3 0.404 4.361 3.960 -0.005 0.000 0.200 1142 G C 1.030 176.042 174.900 0.187 0.000 1.061 1142 G CA 0.702 45.964 45.100 0.268 0.000 0.790 1142 G HN 2.305 nan 8.290 nan 0.000 0.498 1143 G N 0.031 108.934 108.800 0.171 0.000 2.233 1143 G HA2 -0.191 3.766 3.960 -0.005 0.000 0.270 1143 G HA3 -0.191 3.766 3.960 -0.005 0.000 0.270 1143 G C 1.192 176.101 174.900 0.016 0.000 1.011 1143 G CA 0.840 45.992 45.100 0.086 0.000 0.762 1143 G HN 1.788 nan 8.290 nan 0.000 0.511 1144 L N -3.658 117.608 121.223 0.071 0.000 4.696 1144 L HA -0.280 4.056 4.340 -0.005 0.000 0.425 1144 L C 2.010 178.942 176.870 0.104 0.000 1.115 1144 L CA 1.661 56.531 54.840 0.050 0.000 0.996 1144 L CB -1.442 40.369 42.059 -0.413 0.000 2.077 1144 L HN 0.448 nan 8.230 nan 0.000 0.792 1145 M N -1.383 118.273 119.600 0.093 0.000 2.638 1145 M HA 0.315 4.791 4.480 -0.005 0.000 0.256 1145 M C 0.818 177.185 176.300 0.111 0.000 1.282 1145 M CA 1.149 56.507 55.300 0.097 0.000 1.155 1145 M CB 0.591 33.224 32.600 0.055 0.000 1.345 1145 M HN 0.229 nan 8.290 nan 0.000 0.523 1146 V N -2.829 117.149 119.914 0.106 0.000 3.165 1146 V HA 1.050 5.167 4.120 -0.005 0.000 0.309 1146 V C -0.173 175.971 176.094 0.083 0.000 1.267 1146 V CA -0.289 62.050 62.300 0.066 0.000 1.067 1146 V CB 1.144 32.993 31.823 0.043 0.000 1.082 1146 V HN 0.508 nan 8.190 nan 0.000 0.451 1147 G N -0.956 107.825 108.800 -0.031 0.000 2.497 1147 G HA2 0.592 4.549 3.960 -0.005 0.000 0.686 1147 G HA3 0.592 4.549 3.960 -0.005 0.000 0.686 1147 G C -0.628 173.941 174.900 -0.550 0.000 1.288 1147 G CA -0.177 44.810 45.100 -0.188 0.000 0.899 1147 G HN 2.705 nan 8.290 nan 0.000 0.608 1148 A N -1.034 121.327 122.820 -0.764 0.000 2.604 1148 A HA 1.038 5.355 4.320 -0.005 0.000 0.295 1148 A C 0.770 178.232 177.584 -0.203 0.000 1.067 1148 A CA 0.731 52.470 52.037 -0.496 0.000 0.683 1148 A CB 0.881 19.756 19.000 -0.207 0.000 1.281 1148 A HN 2.563 nan 8.150 nan 0.000 0.407 1149 A N 0.366 123.247 122.820 0.102 0.000 1.929 1149 A HA 0.116 4.433 4.320 -0.005 0.000 0.216 1149 A C 1.966 179.736 177.584 0.310 0.000 1.176 1149 A CA 2.274 54.531 52.037 0.366 0.000 0.628 1149 A CB -0.759 18.466 19.000 0.376 0.000 0.816 1149 A HN 1.186 nan 8.150 nan 0.000 0.444 1150 S N -0.005 115.791 115.700 0.161 0.000 2.469 1150 S HA -0.112 4.355 4.470 -0.005 0.000 0.238 1150 S C 1.776 176.306 174.600 -0.116 0.000 0.998 1150 S CA 1.488 59.738 58.200 0.083 0.000 0.957 1150 S CB -0.505 62.699 63.200 0.007 0.000 0.764 1150 S HN 0.688 nan 8.310 nan 0.000 0.514 1151 T N 0.861 115.308 114.554 -0.178 0.000 2.833 1151 T HA -0.061 4.286 4.350 -0.005 0.000 0.269 1151 T C -0.036 174.247 174.700 -0.695 0.000 1.054 1151 T CA 1.035 62.851 62.100 -0.473 0.000 1.135 1151 T CB -0.246 68.234 68.868 -0.647 0.000 0.869 1151 T HN 0.425 nan 8.240 nan 0.000 0.466 1152 Y N 1.668 121.786 120.300 -0.304 0.000 2.385 1152 Y HA 0.428 4.976 4.550 -0.004 0.000 0.341 1152 Y C 0.080 175.718 175.900 -0.437 0.000 0.965 1152 Y CA -2.081 55.643 58.100 -0.628 0.000 1.180 1152 Y CB 0.438 38.191 38.460 -1.177 0.000 1.139 1152 Y HN -0.098 nan 8.280 nan 0.000 0.502 1153 D N 2.461 122.683 120.400 -0.297 0.000 2.316 1153 D HA 0.152 4.789 4.640 -0.005 0.000 0.245 1153 D C 0.986 177.029 176.300 -0.429 0.000 1.171 1153 D CA 0.032 53.879 54.000 -0.254 0.000 0.856 1153 D CB 1.633 42.376 40.800 -0.096 0.000 1.090 1153 D HN 0.887 nan 8.370 nan 0.000 0.476 1154 G N 3.354 111.433 108.800 -1.202 0.000 2.985 1154 G HA2 -0.120 3.837 3.960 -0.005 0.000 0.209 1154 G HA3 -0.120 3.837 3.960 -0.005 0.000 0.209 1154 G C 1.375 176.035 174.900 -0.400 0.000 1.165 1154 G CA -0.092 44.541 45.100 -0.779 0.000 0.776 1154 G HN 0.488 nan 8.290 nan 0.000 0.541 1155 L N 1.671 122.731 121.223 -0.271 0.000 1.978 1155 L HA -0.081 4.255 4.340 -0.005 0.000 0.218 1155 L C 2.988 179.854 176.870 -0.006 0.000 1.075 1155 L CA 2.598 57.460 54.840 0.037 0.000 0.767 1155 L CB -0.688 41.433 42.059 0.103 0.000 0.890 1155 L HN 0.211 nan 8.230 nan 0.000 0.434 1156 A N -1.012 121.805 122.820 -0.004 0.000 1.902 1156 A HA -0.204 4.113 4.320 -0.005 0.000 0.217 1156 A C 2.241 179.810 177.584 -0.025 0.000 1.181 1156 A CA 1.962 54.005 52.037 0.010 0.000 0.623 1156 A CB -1.065 17.957 19.000 0.037 0.000 0.818 1156 A HN 0.520 nan 8.150 nan 0.000 0.443 1157 L N -0.283 120.907 121.223 -0.055 0.000 2.056 1157 L HA -0.021 4.316 4.340 -0.005 0.000 0.207 1157 L C 2.637 179.497 176.870 -0.017 0.000 1.078 1157 L CA 2.160 56.956 54.840 -0.073 0.000 0.749 1157 L CB -0.893 41.083 42.059 -0.138 0.000 0.901 1157 L HN 0.343 nan 8.230 nan 0.000 0.433 1158 A N -0.314 122.512 122.820 0.009 0.000 1.858 1158 A HA -0.121 4.195 4.320 -0.005 0.000 0.216 1158 A C 2.459 180.038 177.584 -0.009 0.000 1.190 1158 A CA 2.127 54.195 52.037 0.051 0.000 0.617 1158 A CB -1.312 17.768 19.000 0.135 0.000 0.827 1158 A HN 0.579 nan 8.150 nan 0.000 0.443 1159 A N -1.349 121.399 122.820 -0.119 0.000 1.873 1159 A HA -0.181 4.136 4.320 -0.005 0.000 0.215 1159 A C 2.074 179.457 177.584 -0.336 0.000 1.186 1159 A CA 1.528 53.344 52.037 -0.368 0.000 0.616 1159 A CB -0.996 17.502 19.000 -0.837 0.000 0.823 1159 A HN 0.702 nan 8.150 nan 0.000 0.442 1160 H N -0.884 118.007 119.070 -0.297 0.000 2.423 1160 H HA -0.022 4.531 4.556 -0.005 0.000 0.297 1160 H C 0.902 176.223 175.328 -0.011 0.000 1.075 1160 H CA 1.474 57.467 56.048 -0.092 0.000 1.342 1160 H CB 0.308 29.941 29.762 -0.214 0.000 1.395 1160 H HN 0.439 nan 8.280 nan 0.000 0.530 1161 E N 0.099 120.346 120.200 0.078 0.000 2.538 1161 E HA 0.044 4.391 4.350 -0.005 0.000 0.207 1161 E C -0.334 176.295 176.600 0.049 0.000 1.002 1161 E CA -0.232 56.202 56.400 0.057 0.000 0.952 1161 E CB 0.027 29.751 29.700 0.040 0.000 1.031 1161 E HN 0.416 nan 8.360 nan 0.000 0.476 1162 N N 0.445 119.175 118.700 0.050 0.000 2.696 1162 N HA -0.165 4.571 4.740 -0.005 0.000 0.256 1162 N C -0.623 174.923 175.510 0.060 0.000 1.031 1162 N CA 0.580 53.665 53.050 0.058 0.000 0.730 1162 N CB -0.960 37.561 38.487 0.057 0.000 0.894 1162 N HN 0.066 nan 8.380 nan 0.000 0.544 1163 V N -3.758 116.196 119.914 0.068 0.000 3.040 1163 V HA 0.786 4.902 4.120 -0.005 0.000 0.312 1163 V C 0.295 176.461 176.094 0.120 0.000 1.115 1163 V CA -0.991 61.355 62.300 0.076 0.000 0.998 1163 V CB 2.277 34.129 31.823 0.049 0.000 1.042 1163 V HN -0.131 nan 8.190 nan 0.000 0.433 1164 V N 2.832 122.832 119.914 0.143 0.000 2.406 1164 V HA 0.441 4.558 4.120 -0.005 0.000 0.272 1164 V C 0.054 176.284 176.094 0.226 0.000 1.043 1164 V CA -0.315 62.103 62.300 0.197 0.000 0.915 1164 V CB 1.344 33.285 31.823 0.197 0.000 0.988 1164 V HN 0.739 nan 8.190 nan 0.000 0.466 1165 V N 6.207 126.297 119.914 0.292 0.000 2.370 1165 V HA 0.432 4.549 4.120 -0.005 0.000 0.279 1165 V C -0.116 176.241 176.094 0.439 0.000 1.029 1165 V CA -0.472 62.041 62.300 0.355 0.000 0.870 1165 V CB 1.731 33.738 31.823 0.306 0.000 0.984 1165 V HN 0.602 nan 8.190 nan 0.000 0.451 1166 V N 4.383 124.541 119.914 0.406 0.000 2.409 1166 V HA 0.505 4.622 4.120 -0.005 0.000 0.291 1166 V C 0.257 176.589 176.094 0.396 0.000 1.020 1166 V CA -0.480 62.031 62.300 0.352 0.000 0.848 1166 V CB 2.101 34.075 31.823 0.252 0.000 0.990 1166 V HN 0.990 nan 8.190 nan 0.000 0.430 1167 T N 3.793 118.593 114.554 0.410 0.000 2.771 1167 T HA 0.799 5.146 4.350 -0.005 0.000 0.281 1167 T C -0.431 174.466 174.700 0.328 0.000 0.982 1167 T CA -0.504 61.854 62.100 0.429 0.000 0.978 1167 T CB 1.228 70.383 68.868 0.479 0.000 0.930 1167 T HN 0.640 nan 8.240 nan 0.000 0.447 1168 I N 0.259 120.994 120.570 0.276 0.000 2.750 1168 I HA 0.665 4.832 4.170 -0.005 0.000 0.308 1168 I C -0.563 175.783 176.117 0.380 0.000 1.016 1168 I CA -1.263 60.182 61.300 0.242 0.000 1.098 1168 I CB 1.966 39.993 38.000 0.045 0.000 1.279 1168 I HN 0.551 nan 8.210 nan 0.000 0.454 1169 Q N 2.262 122.330 119.800 0.446 0.000 2.351 1169 Q HA 0.579 4.915 4.340 -0.005 0.000 0.273 1169 Q C -1.864 174.444 176.000 0.513 0.000 1.077 1169 Q CA -0.812 55.255 55.803 0.440 0.000 0.843 1169 Q CB 2.710 31.634 28.738 0.310 0.000 1.367 1169 Q HN 0.724 nan 8.270 nan 0.000 0.449 1170 Y N -2.657 117.795 120.300 0.253 0.000 2.581 1170 Y HA 0.522 5.068 4.550 -0.005 0.000 0.337 1170 Y C -0.900 175.087 175.900 0.144 0.000 1.108 1170 Y CA -1.444 56.770 58.100 0.190 0.000 1.033 1170 Y CB 0.781 39.309 38.460 0.113 0.000 1.318 1170 Y HN 0.411 nan 8.280 nan 0.000 0.459 1171 R N 2.135 122.737 120.500 0.171 0.000 2.585 1171 R HA 0.370 4.707 4.340 -0.005 0.000 0.275 1171 R C -0.869 175.510 176.300 0.133 0.000 1.018 1171 R CA 0.145 56.296 56.100 0.085 0.000 1.072 1171 R CB 0.238 30.603 30.300 0.108 0.000 0.953 1171 R HN 0.692 nan 8.270 nan 0.000 0.419 1172 L N 1.373 122.690 121.223 0.157 0.000 2.303 1172 L HA 0.482 4.819 4.340 -0.005 0.000 0.266 1172 L C 1.316 178.465 176.870 0.465 0.000 1.011 1172 L CA -0.434 54.587 54.840 0.302 0.000 0.818 1172 L CB 1.589 43.727 42.059 0.132 0.000 1.326 1172 L HN 0.904 nan 8.230 nan 0.000 0.435 1173 G N 0.704 109.780 108.800 0.461 0.000 2.634 1173 G HA2 -0.346 3.610 3.960 -0.005 0.000 0.309 1173 G HA3 -0.346 3.610 3.960 -0.005 0.000 0.309 1173 G C 0.860 176.000 174.900 0.400 0.000 1.265 1173 G CA 0.683 45.993 45.100 0.351 0.000 0.998 1173 G HN 0.645 nan 8.290 nan 0.000 0.551 1174 I N -0.373 120.359 120.570 0.270 0.000 2.163 1174 I HA -0.195 3.972 4.170 -0.005 0.000 0.243 1174 I C 2.865 179.200 176.117 0.363 0.000 1.085 1174 I CA 2.366 63.771 61.300 0.175 0.000 1.347 1174 I CB -0.347 37.510 38.000 -0.239 0.000 1.044 1174 I HN 0.560 nan 8.210 nan 0.000 0.408 1175 W N 0.679 122.149 121.300 0.285 0.000 2.338 1175 W HA -0.123 4.534 4.660 -0.005 0.000 0.304 1175 W C 2.436 179.083 176.519 0.214 0.000 1.212 1175 W CA 1.306 58.741 57.345 0.150 0.000 1.264 1175 W CB -0.998 28.454 29.460 -0.013 0.000 1.142 1175 W HN 0.239 nan 8.180 nan 0.000 0.512 1176 G N -1.871 107.170 108.800 0.401 0.000 2.603 1176 G HA2 -0.039 3.918 3.960 -0.005 0.000 0.214 1176 G HA3 -0.039 3.918 3.960 -0.005 0.000 0.214 1176 G C 0.737 175.292 174.900 -0.575 0.000 1.140 1176 G CA 0.259 45.323 45.100 -0.059 0.000 0.800 1176 G HN 0.159 nan 8.290 nan 0.000 0.533 1177 F N -1.090 119.085 119.950 0.375 0.000 2.880 1177 F HA 0.405 4.928 4.527 -0.006 0.000 0.328 1177 F C 0.151 176.050 175.800 0.165 0.000 1.146 1177 F CA -1.692 56.401 58.000 0.154 0.000 1.135 1177 F CB 0.227 39.236 39.000 0.015 0.000 1.151 1177 F HN -0.015 nan 8.300 nan 0.000 0.523 1178 F N 2.101 122.245 119.950 0.325 0.000 2.578 1178 F HA 0.360 4.884 4.527 -0.006 0.000 0.381 1178 F C 0.454 176.328 175.800 0.122 0.000 1.069 1178 F CA 0.366 58.444 58.000 0.130 0.000 1.231 1178 F CB 0.449 39.380 39.000 -0.115 0.000 1.086 1178 F HN -0.079 nan 8.300 nan 0.000 0.564 1179 S N 3.459 118.704 115.700 -0.757 0.000 2.547 1179 S HA 0.384 4.850 4.470 -0.005 0.000 0.281 1179 S C 0.333 174.509 174.600 -0.706 0.000 1.118 1179 S CA -0.078 57.788 58.200 -0.557 0.000 0.947 1179 S CB 1.467 64.496 63.200 -0.285 0.000 1.053 1179 S HN 0.804 nan 8.310 nan 0.000 0.482 1180 T N 0.467 114.773 114.554 -0.414 0.000 3.069 1180 T HA 0.397 4.744 4.350 -0.005 0.000 0.252 1180 T C 1.402 176.029 174.700 -0.122 0.000 1.053 1180 T CA 0.535 62.489 62.100 -0.243 0.000 0.964 1180 T CB 0.005 68.842 68.868 -0.052 0.000 1.005 1180 T HN 1.725 nan 8.240 nan 0.000 0.532 1181 G N 2.250 110.972 108.800 -0.131 0.000 2.148 1181 G HA2 -0.191 3.766 3.960 -0.005 0.000 0.254 1181 G HA3 -0.191 3.766 3.960 -0.005 0.000 0.254 1181 G C -0.280 174.589 174.900 -0.052 0.000 0.981 1181 G CA 0.443 45.491 45.100 -0.087 0.000 0.670 1181 G HN 0.961 nan 8.290 nan 0.000 0.528 1182 D N -2.373 118.008 120.400 -0.032 0.000 2.812 1182 D HA 0.432 5.068 4.640 -0.005 0.000 0.318 1182 D C 1.277 177.549 176.300 -0.046 0.000 1.234 1182 D CA -0.038 53.944 54.000 -0.031 0.000 0.989 1182 D CB -0.320 40.480 40.800 -0.000 0.000 1.442 1182 D HN 0.108 nan 8.370 nan 0.000 0.537 1183 E N -0.004 120.114 120.200 -0.137 0.000 2.333 1183 E HA -0.231 4.116 4.350 -0.005 0.000 0.198 1183 E C 0.869 177.389 176.600 -0.133 0.000 1.007 1183 E CA 1.326 57.632 56.400 -0.157 0.000 0.845 1183 E CB -0.750 28.819 29.700 -0.218 0.000 0.766 1183 E HN 0.667 nan 8.360 nan 0.000 0.507 1184 H N 0.281 119.411 119.070 0.099 0.000 2.495 1184 H HA 0.159 4.712 4.556 -0.006 0.000 0.287 1184 H C 0.404 175.851 175.328 0.199 0.000 1.033 1184 H CA 1.195 57.319 56.048 0.126 0.000 1.307 1184 H CB 0.414 30.235 29.762 0.097 0.000 1.401 1184 H HN 0.054 nan 8.280 nan 0.000 0.555 1185 S N -0.477 115.404 115.700 0.302 0.000 2.689 1185 S HA 0.177 4.644 4.470 -0.005 0.000 0.151 1185 S C 0.556 175.310 174.600 0.257 0.000 1.155 1185 S CA -0.618 57.851 58.200 0.449 0.000 1.144 1185 S CB 0.006 63.430 63.200 0.374 0.000 1.526 1185 S HN 0.219 nan 8.310 nan 0.000 0.419 1186 R N 1.522 122.130 120.500 0.179 0.000 2.103 1186 R HA 0.113 4.449 4.340 -0.005 0.000 0.242 1186 R C 1.416 177.507 176.300 -0.348 0.000 1.142 1186 R CA 1.391 57.422 56.100 -0.114 0.000 0.960 1186 R CB -0.243 29.973 30.300 -0.140 0.000 0.858 1186 R HN 0.857 nan 8.270 nan 0.000 0.439 1187 G N -0.638 107.678 108.800 -0.807 0.000 2.483 1187 G HA2 -0.211 3.745 3.960 -0.005 0.000 0.521 1187 G HA3 -0.211 3.745 3.960 -0.005 0.000 0.521 1187 G C -0.635 173.514 174.900 -1.252 0.000 1.278 1187 G CA -0.393 44.131 45.100 -0.960 0.000 0.965 1187 G HN 0.256 nan 8.290 nan 0.000 0.504 1188 N N -1.175 117.130 118.700 -0.659 0.000 2.714 1188 N HA -0.202 4.535 4.740 -0.005 0.000 0.250 1188 N C 1.159 176.377 175.510 -0.486 0.000 1.117 1188 N CA 1.981 54.823 53.050 -0.347 0.000 0.719 1188 N CB -1.555 36.890 38.487 -0.070 0.000 1.081 1188 N HN 0.715 nan 8.380 nan 0.000 0.557 1189 W N 0.326 121.479 121.300 -0.244 0.000 2.342 1189 W HA -0.079 4.578 4.660 -0.006 0.000 0.297 1189 W C 2.445 178.824 176.519 -0.233 0.000 1.213 1189 W CA 0.773 58.018 57.345 -0.167 0.000 1.251 1189 W CB -0.596 28.810 29.460 -0.091 0.000 1.136 1189 W HN 0.300 nan 8.180 nan 0.000 0.526 1190 G N -0.486 108.038 108.800 -0.459 0.000 2.422 1190 G HA2 -0.226 3.731 3.960 -0.005 0.000 0.218 1190 G HA3 -0.226 3.731 3.960 -0.005 0.000 0.218 1190 G C 1.222 176.093 174.900 -0.048 0.000 1.140 1190 G CA 1.091 46.063 45.100 -0.212 0.000 0.775 1190 G HN 0.293 nan 8.290 nan 0.000 0.545 1191 H N 0.256 119.330 119.070 0.007 0.000 2.395 1191 H HA 0.141 4.693 4.556 -0.005 0.000 0.299 1191 H C 2.684 178.013 175.328 0.001 0.000 1.070 1191 H CA 0.552 56.595 56.048 -0.009 0.000 1.356 1191 H CB -0.244 29.528 29.762 0.016 0.000 1.401 1191 H HN 0.265 nan 8.280 nan 0.000 0.524 1192 L N 0.531 121.845 121.223 0.153 0.000 2.131 1192 L HA -0.151 4.185 4.340 -0.005 0.000 0.210 1192 L C 1.911 178.889 176.870 0.179 0.000 1.092 1192 L CA 0.934 55.867 54.840 0.154 0.000 0.759 1192 L CB -0.193 41.981 42.059 0.192 0.000 0.903 1192 L HN 0.122 nan 8.230 nan 0.000 0.435 1193 D N -0.167 120.357 120.400 0.207 0.000 2.144 1193 D HA -0.166 4.471 4.640 -0.005 0.000 0.200 1193 D C 2.274 178.689 176.300 0.191 0.000 0.978 1193 D CA 1.017 55.204 54.000 0.311 0.000 0.833 1193 D CB -0.088 40.936 40.800 0.374 0.000 0.961 1193 D HN 0.404 nan 8.370 nan 0.000 0.470 1194 Q N 0.273 120.118 119.800 0.074 0.000 2.084 1194 Q HA -0.085 4.252 4.340 -0.005 0.000 0.202 1194 Q C 2.380 178.339 176.000 -0.069 0.000 0.978 1194 Q CA 0.806 56.566 55.803 -0.072 0.000 0.844 1194 Q CB 0.028 28.679 28.738 -0.145 0.000 0.898 1194 Q HN 0.125 nan 8.270 nan 0.000 0.426 1195 V N 0.872 120.793 119.914 0.010 0.000 2.407 1195 V HA -0.268 3.849 4.120 -0.005 0.000 0.248 1195 V C 2.211 178.338 176.094 0.054 0.000 1.055 1195 V CA 1.746 64.066 62.300 0.035 0.000 1.049 1195 V CB -0.883 30.981 31.823 0.068 0.000 0.662 1195 V HN 0.408 nan 8.190 nan 0.000 0.455 1196 A N -0.002 122.876 122.820 0.096 0.000 1.902 1196 A HA -0.090 4.226 4.320 -0.005 0.000 0.217 1196 A C 2.424 180.040 177.584 0.053 0.000 1.181 1196 A CA 1.943 54.084 52.037 0.173 0.000 0.623 1196 A CB -0.727 18.483 19.000 0.349 0.000 0.818 1196 A HN 0.558 nan 8.150 nan 0.000 0.443 1197 A N -0.290 122.305 122.820 -0.375 0.000 1.933 1197 A HA -0.025 4.292 4.320 -0.005 0.000 0.218 1197 A C 2.148 179.661 177.584 -0.119 0.000 1.175 1197 A CA 1.447 53.049 52.037 -0.724 0.000 0.628 1197 A CB -0.546 17.766 19.000 -1.147 0.000 0.814 1197 A HN 0.476 nan 8.150 nan 0.000 0.444 1198 L N -1.230 119.964 121.223 -0.048 0.000 2.093 1198 L HA -0.150 4.187 4.340 -0.005 0.000 0.208 1198 L C 2.842 179.777 176.870 0.109 0.000 1.085 1198 L CA 1.191 56.064 54.840 0.056 0.000 0.755 1198 L CB -0.460 41.632 42.059 0.055 0.000 0.904 1198 L HN 0.362 nan 8.230 nan 0.000 0.435 1199 R N -1.061 119.507 120.500 0.113 0.000 2.096 1199 R HA -0.219 4.118 4.340 -0.005 0.000 0.235 1199 R C 2.085 178.471 176.300 0.144 0.000 1.127 1199 R CA 1.798 57.968 56.100 0.116 0.000 0.968 1199 R CB -0.423 29.952 30.300 0.125 0.000 0.861 1199 R HN 0.412 nan 8.270 nan 0.000 0.440 1200 W N 0.853 122.180 121.300 0.045 0.000 2.381 1200 W HA -0.179 4.478 4.660 -0.005 0.000 0.301 1200 W C 1.814 178.368 176.519 0.059 0.000 1.205 1200 W CA 1.080 58.473 57.345 0.080 0.000 1.285 1200 W CB -0.150 29.388 29.460 0.130 0.000 1.133 1200 W HN -0.248 nan 8.180 nan 0.000 0.521 1201 V N 0.969 121.084 119.914 0.335 0.000 2.343 1201 V HA -0.344 3.773 4.120 -0.005 0.000 0.247 1201 V C 2.545 178.644 176.094 0.009 0.000 1.051 1201 V CA 2.018 64.442 62.300 0.208 0.000 1.036 1201 V CB -0.965 31.002 31.823 0.240 0.000 0.654 1201 V HN 0.210 nan 8.190 nan 0.000 0.451 1202 Q N -0.124 119.688 119.800 0.020 0.000 2.096 1202 Q HA -0.207 4.130 4.340 -0.005 0.000 0.204 1202 Q C 1.986 177.930 176.000 -0.094 0.000 0.982 1202 Q CA 1.752 57.550 55.803 -0.008 0.000 0.850 1202 Q CB -0.511 28.235 28.738 0.013 0.000 0.901 1202 Q HN 0.664 nan 8.270 nan 0.000 0.422 1203 D N -0.506 119.787 120.400 -0.178 0.000 2.317 1203 D HA -0.020 4.617 4.640 -0.005 0.000 0.211 1203 D C 1.041 177.114 176.300 -0.379 0.000 0.966 1203 D CA 0.535 54.382 54.000 -0.256 0.000 0.876 1203 D CB 0.100 40.739 40.800 -0.268 0.000 0.927 1203 D HN 0.289 nan 8.370 nan 0.000 0.519 1204 N N -0.255 118.122 118.700 -0.539 0.000 2.211 1204 N HA 0.025 4.762 4.740 -0.005 0.000 0.216 1204 N C 1.509 176.896 175.510 -0.205 0.000 1.240 1204 N CA -0.198 52.514 53.050 -0.563 0.000 0.895 1204 N CB 0.957 38.671 38.487 -1.289 0.000 1.102 1204 N HN -0.013 nan 8.380 nan 0.000 0.498 1205 I N 2.688 123.194 120.570 -0.106 0.000 2.423 1205 I HA -0.161 4.005 4.170 -0.005 0.000 0.254 1205 I C 2.216 178.422 176.117 0.149 0.000 1.151 1205 I CA 0.681 62.061 61.300 0.134 0.000 1.421 1205 I CB -0.265 37.808 38.000 0.122 0.000 1.079 1205 I HN 0.071 nan 8.210 nan 0.000 0.431 1206 A N -0.990 121.848 122.820 0.030 0.000 1.978 1206 A HA -0.203 4.114 4.320 -0.005 0.000 0.220 1206 A C 2.418 179.989 177.584 -0.022 0.000 1.170 1206 A CA 2.052 54.092 52.037 0.005 0.000 0.636 1206 A CB -0.910 18.067 19.000 -0.038 0.000 0.810 1206 A HN 0.456 nan 8.150 nan 0.000 0.448 1207 S N -1.167 114.480 115.700 -0.088 0.000 2.474 1207 S HA 0.003 4.470 4.470 -0.005 0.000 0.235 1207 S C 0.706 175.052 174.600 -0.424 0.000 0.997 1207 S CA 0.797 58.829 58.200 -0.279 0.000 0.949 1207 S CB -0.372 62.567 63.200 -0.436 0.000 0.766 1207 S HN 0.582 nan 8.310 nan 0.000 0.517 1208 F N 0.624 120.546 119.950 -0.046 0.000 2.647 1208 F HA 0.383 4.907 4.527 -0.005 0.000 0.300 1208 F C 1.608 177.440 175.800 0.052 0.000 1.106 1208 F CA -0.087 57.904 58.000 -0.015 0.000 1.313 1208 F CB 0.169 39.157 39.000 -0.020 0.000 1.007 1208 F HN 0.222 nan 8.300 nan 0.000 0.536 1209 G N 0.402 109.287 108.800 0.142 0.000 2.143 1209 G HA2 -0.177 3.780 3.960 -0.005 0.000 0.249 1209 G HA3 -0.177 3.780 3.960 -0.005 0.000 0.249 1209 G C 0.537 175.510 174.900 0.122 0.000 0.981 1209 G CA -0.187 44.986 45.100 0.120 0.000 0.665 1209 G HN 0.740 nan 8.290 nan 0.000 0.528 1210 G N -0.611 108.273 108.800 0.140 0.000 2.412 1210 G HA2 0.507 4.463 3.960 -0.005 0.000 0.318 1210 G HA3 0.507 4.463 3.960 -0.005 0.000 0.318 1210 G C -0.338 174.605 174.900 0.071 0.000 1.146 1210 G CA -0.207 44.963 45.100 0.118 0.000 0.882 1210 G HN 0.445 nan 8.290 nan 0.000 0.501 1211 N N 1.588 120.319 118.700 0.051 0.000 2.462 1211 N HA 0.285 5.022 4.740 -0.005 0.000 0.242 1211 N C -1.136 174.386 175.510 0.020 0.000 1.010 1211 N CA -2.495 50.564 53.050 0.015 0.000 0.939 1211 N CB 1.945 40.424 38.487 -0.013 0.000 1.127 1211 N HN 0.105 nan 8.380 nan 0.000 0.509 1212 P HA -0.018 nan 4.420 nan 0.000 0.225 1212 P C 0.890 178.226 177.300 0.060 0.000 1.148 1212 P CA 0.691 63.822 63.100 0.053 0.000 0.779 1212 P CB 0.143 31.858 31.700 0.024 0.000 0.780 1213 G N -0.772 107.988 108.800 -0.066 0.000 2.920 1213 G HA2 -0.006 3.951 3.960 -0.005 0.000 0.208 1213 G HA3 -0.006 3.951 3.960 -0.005 0.000 0.208 1213 G C 0.516 175.012 174.900 -0.673 0.000 1.159 1213 G CA 0.147 45.083 45.100 -0.275 0.000 0.784 1213 G HN 0.364 nan 8.290 nan 0.000 0.535 1214 S N 0.061 115.573 115.700 -0.313 0.000 2.293 1214 S HA 0.454 4.920 4.470 -0.005 0.000 0.154 1214 S C -0.937 173.718 174.600 0.092 0.000 1.602 1214 S CA -0.429 57.646 58.200 -0.208 0.000 1.260 1214 S CB 0.405 63.522 63.200 -0.138 0.000 1.270 1214 S HN -0.055 nan 8.310 nan 0.000 0.416 1215 V N 3.445 123.602 119.914 0.405 0.000 2.398 1215 V HA 0.541 4.658 4.120 -0.005 0.000 0.286 1215 V C 0.234 176.499 176.094 0.285 0.000 1.026 1215 V CA -0.402 62.084 62.300 0.310 0.000 0.868 1215 V CB 1.738 33.743 31.823 0.304 0.000 0.982 1215 V HN 0.671 nan 8.190 nan 0.000 0.443 1216 T N 6.468 121.138 114.554 0.194 0.000 2.794 1216 T HA 0.632 4.979 4.350 -0.005 0.000 0.280 1216 T C -0.163 174.666 174.700 0.214 0.000 0.987 1216 T CA -0.179 62.025 62.100 0.173 0.000 0.993 1216 T CB 0.949 69.850 68.868 0.056 0.000 0.939 1216 T HN 0.617 nan 8.240 nan 0.000 0.449 1217 I N 1.568 122.255 120.570 0.194 0.000 2.412 1217 I HA 0.875 5.041 4.170 -0.005 0.000 0.296 1217 I C -0.940 175.371 176.117 0.323 0.000 0.987 1217 I CA -1.082 60.323 61.300 0.175 0.000 1.180 1217 I CB 1.095 38.989 38.000 -0.176 0.000 1.340 1217 I HN 0.487 nan 8.210 nan 0.000 0.455 1218 F N 2.928 122.911 119.950 0.055 0.000 2.631 1218 F HA 1.010 5.534 4.527 -0.005 0.000 0.308 1218 F C -0.461 175.279 175.800 -0.099 0.000 1.097 1218 F CA -1.562 56.503 58.000 0.108 0.000 0.952 1218 F CB 1.331 40.522 39.000 0.319 0.000 1.307 1218 F HN 0.839 nan 8.300 nan 0.000 0.450 1219 G N 0.854 109.482 108.800 -0.286 0.000 2.601 1219 G HA2 0.485 4.441 3.960 -0.005 0.000 0.291 1219 G HA3 0.485 4.441 3.960 -0.005 0.000 0.291 1219 G C -2.550 172.078 174.900 -0.454 0.000 1.456 1219 G CA -0.797 43.680 45.100 -1.038 0.000 0.804 1219 G HN 0.876 nan 8.290 nan 0.000 0.499 1220 E N 0.457 120.366 120.200 -0.486 0.000 2.212 1220 E HA 0.636 4.983 4.350 -0.005 0.000 0.268 1220 E C 0.688 177.285 176.600 -0.005 0.000 0.902 1220 E CA 0.323 56.692 56.400 -0.051 0.000 0.779 1220 E CB 2.046 31.822 29.700 0.126 0.000 1.172 1220 E HN 0.856 nan 8.360 nan 0.000 0.409 1221 S N 2.860 118.623 115.700 0.105 0.000 4.116 1221 S HA -0.389 4.077 4.470 -0.005 0.000 0.623 1221 S C 1.447 176.155 174.600 0.179 0.000 1.933 1221 S CA 2.006 60.377 58.200 0.287 0.000 4.224 1221 S CB -1.626 61.855 63.200 0.469 0.000 0.208 1221 S HN 0.965 nan 8.310 nan 0.000 0.527 1222 A N 0.994 123.916 122.820 0.170 0.000 2.024 1222 A HA 0.157 4.474 4.320 -0.005 0.000 0.220 1222 A C 2.386 179.957 177.584 -0.023 0.000 1.164 1222 A CA 2.385 54.469 52.037 0.078 0.000 0.643 1222 A CB -1.452 17.610 19.000 0.104 0.000 0.806 1222 A HN 1.544 nan 8.150 nan 0.000 0.451 1223 G N -0.773 107.973 108.800 -0.090 0.000 2.421 1223 G HA2 0.119 4.075 3.960 -0.005 0.000 0.217 1223 G HA3 0.119 4.075 3.960 -0.005 0.000 0.217 1223 G C 1.432 176.178 174.900 -0.256 0.000 1.143 1223 G CA 1.079 45.996 45.100 -0.304 0.000 0.784 1223 G HN 0.640 nan 8.290 nan 0.000 0.541 1224 G N 0.323 109.048 108.800 -0.125 0.000 2.403 1224 G HA2 -0.126 3.830 3.960 -0.005 0.000 0.216 1224 G HA3 -0.126 3.830 3.960 -0.005 0.000 0.216 1224 G C 1.537 176.424 174.900 -0.022 0.000 1.154 1224 G CA 1.039 46.113 45.100 -0.043 0.000 0.784 1224 G HN 0.422 nan 8.290 nan 0.000 0.538 1225 E N 1.006 121.199 120.200 -0.013 0.000 2.106 1225 E HA -0.098 4.249 4.350 -0.005 0.000 0.192 1225 E C 2.521 179.067 176.600 -0.091 0.000 0.984 1225 E CA 1.145 57.528 56.400 -0.028 0.000 0.806 1225 E CB -0.205 29.484 29.700 -0.018 0.000 0.750 1225 E HN 0.333 nan 8.360 nan 0.000 0.458 1226 S N 0.207 115.839 115.700 -0.112 0.000 2.368 1226 S HA -0.123 4.343 4.470 -0.005 0.000 0.225 1226 S C 2.129 176.582 174.600 -0.246 0.000 1.030 1226 S CA 1.148 59.245 58.200 -0.172 0.000 0.999 1226 S CB -0.243 62.830 63.200 -0.211 0.000 0.844 1226 S HN 0.139 nan 8.310 nan 0.000 0.459 1227 V N 1.250 121.028 119.914 -0.226 0.000 2.332 1227 V HA -0.168 3.949 4.120 -0.005 0.000 0.248 1227 V C 2.587 178.537 176.094 -0.241 0.000 1.055 1227 V CA 2.010 64.154 62.300 -0.260 0.000 1.038 1227 V CB -0.781 30.947 31.823 -0.158 0.000 0.651 1227 V HN 0.545 nan 8.190 nan 0.000 0.450 1228 S N -0.715 114.918 115.700 -0.111 0.000 2.382 1228 S HA -0.158 4.309 4.470 -0.005 0.000 0.228 1228 S C 1.926 176.459 174.600 -0.112 0.000 1.027 1228 S CA 1.763 59.935 58.200 -0.047 0.000 0.991 1228 S CB -0.134 63.101 63.200 0.058 0.000 0.823 1228 S HN 0.345 nan 8.310 nan 0.000 0.469 1229 V N 1.894 121.700 119.914 -0.181 0.000 2.379 1229 V HA -0.073 4.043 4.120 -0.005 0.000 0.245 1229 V C 2.317 178.292 176.094 -0.198 0.000 1.044 1229 V CA 1.537 63.700 62.300 -0.230 0.000 1.036 1229 V CB -0.599 30.970 31.823 -0.423 0.000 0.664 1229 V HN 0.470 nan 8.190 nan 0.000 0.453 1230 L N -0.444 120.640 121.223 -0.231 0.000 2.083 1230 L HA -0.146 4.190 4.340 -0.005 0.000 0.209 1230 L C 2.438 179.340 176.870 0.053 0.000 1.083 1230 L CA 1.033 55.776 54.840 -0.162 0.000 0.752 1230 L CB -0.659 41.179 42.059 -0.368 0.000 0.899 1230 L HN 0.196 nan 8.230 nan 0.000 0.433 1231 V N 0.120 120.033 119.914 -0.001 0.000 2.594 1231 V HA -0.240 3.877 4.120 -0.005 0.000 0.253 1231 V C 2.041 178.296 176.094 0.268 0.000 1.069 1231 V CA 1.429 63.856 62.300 0.212 0.000 1.082 1231 V CB -0.254 31.496 31.823 -0.121 0.000 0.680 1231 V HN 0.402 nan 8.190 nan 0.000 0.469 1232 L N -1.081 120.194 121.223 0.086 0.000 2.585 1232 L HA 0.212 4.549 4.340 -0.005 0.000 0.226 1232 L C 1.068 177.819 176.870 -0.200 0.000 1.113 1232 L CA 0.145 54.959 54.840 -0.043 0.000 0.876 1232 L CB 0.268 42.275 42.059 -0.088 0.000 1.072 1232 L HN 0.197 nan 8.230 nan 0.000 0.468 1233 S N 0.023 115.703 115.700 -0.034 0.000 2.480 1233 S HA 0.310 4.777 4.470 -0.005 0.000 0.286 1233 S C -1.708 172.957 174.600 0.108 0.000 1.180 1233 S CA -1.410 56.759 58.200 -0.052 0.000 1.075 1233 S CB 1.383 64.567 63.200 -0.027 0.000 0.996 1233 S HN -0.131 nan 8.310 nan 0.000 0.487 1234 P HA -0.010 nan 4.420 nan 0.000 0.220 1234 P C 1.140 178.536 177.300 0.160 0.000 1.148 1234 P CA 0.860 64.082 63.100 0.204 0.000 0.803 1234 P CB 0.077 31.818 31.700 0.069 0.000 0.782 1235 L N -1.492 119.787 121.223 0.093 0.000 2.275 1235 L HA -0.069 4.268 4.340 -0.005 0.000 0.215 1235 L C 2.063 178.990 176.870 0.095 0.000 1.119 1235 L CA 1.258 56.144 54.840 0.076 0.000 0.790 1235 L CB -0.793 41.299 42.059 0.054 0.000 0.919 1235 L HN -0.029 nan 8.230 nan 0.000 0.443 1236 A N 0.206 123.115 122.820 0.148 0.000 2.308 1236 A HA 0.049 4.366 4.320 -0.005 0.000 0.217 1236 A C 0.782 178.467 177.584 0.168 0.000 1.216 1236 A CA -0.371 51.794 52.037 0.213 0.000 0.864 1236 A CB -0.255 18.929 19.000 0.307 0.000 0.902 1236 A HN 0.353 nan 8.150 nan 0.000 0.499 1237 K N 0.984 121.416 120.400 0.052 0.000 2.472 1237 K HA 0.041 4.357 4.320 -0.005 0.000 0.280 1237 K C -0.430 175.949 176.600 -0.369 0.000 1.028 1237 K CA 0.268 56.411 56.287 -0.240 0.000 1.045 1237 K CB 0.034 32.396 32.500 -0.230 0.000 0.902 1237 K HN 0.191 nan 8.250 nan 0.000 0.478 1238 N N 1.406 119.721 118.700 -0.642 0.000 2.878 1238 N HA -0.178 4.559 4.740 -0.005 0.000 0.247 1238 N C 0.059 175.365 175.510 -0.340 0.000 1.021 1238 N CA 1.140 53.880 53.050 -0.515 0.000 0.873 1238 N CB -1.200 37.073 38.487 -0.357 0.000 1.128 1238 N HN 0.687 nan 8.380 nan 0.000 0.571 1239 L N -0.816 120.256 121.223 -0.252 0.000 2.640 1239 L HA 0.270 4.607 4.340 -0.005 0.000 0.230 1239 L C 0.185 177.090 176.870 0.058 0.000 1.123 1239 L CA 0.147 54.973 54.840 -0.022 0.000 0.900 1239 L CB 0.038 42.171 42.059 0.124 0.000 1.146 1239 L HN 0.173 nan 8.230 nan 0.000 0.484 1240 F N -4.537 115.205 119.950 -0.347 0.000 2.668 1240 F HA 0.431 4.955 4.527 -0.005 0.000 0.309 1240 F C 0.125 175.594 175.800 -0.551 0.000 1.117 1240 F CA -1.102 56.707 58.000 -0.319 0.000 0.951 1240 F CB 0.836 39.776 39.000 -0.101 0.000 1.323 1240 F HN -0.114 nan 8.300 nan 0.000 0.451 1241 H N -0.820 118.291 119.070 0.068 0.000 3.241 1241 H HA 0.525 5.077 4.556 -0.006 0.000 0.260 1241 H C -0.474 174.851 175.328 -0.005 0.000 1.084 1241 H CA -0.285 55.739 56.048 -0.041 0.000 1.203 1241 H CB 0.659 30.394 29.762 -0.044 0.000 1.524 1241 H HN 0.443 nan 8.280 nan 0.000 0.521 1242 R N 0.149 120.771 120.500 0.205 0.000 2.739 1242 R HA 0.796 5.133 4.340 -0.005 0.000 0.271 1242 R C -1.486 175.014 176.300 0.333 0.000 1.010 1242 R CA -0.515 55.670 56.100 0.140 0.000 0.897 1242 R CB 2.060 32.254 30.300 -0.177 0.000 1.236 1242 R HN 0.152 nan 8.270 nan 0.000 0.466 1243 A N 1.653 124.712 122.820 0.399 0.000 2.515 1243 A HA 0.809 5.125 4.320 -0.005 0.000 0.298 1243 A C -1.353 176.477 177.584 0.410 0.000 1.059 1243 A CA -0.624 51.579 52.037 0.276 0.000 0.698 1243 A CB 1.201 20.169 19.000 -0.053 0.000 1.289 1243 A HN 0.566 nan 8.150 nan 0.000 0.404 1244 I N 1.348 122.093 120.570 0.292 0.000 2.478 1244 I HA 0.334 4.501 4.170 -0.005 0.000 0.287 1244 I C -0.304 175.964 176.117 0.252 0.000 1.042 1244 I CA -0.315 61.104 61.300 0.198 0.000 1.067 1244 I CB 2.337 40.378 38.000 0.069 0.000 1.233 1244 I HN 0.482 nan 8.210 nan 0.000 0.431 1245 S N 5.157 120.983 115.700 0.210 0.000 2.474 1245 S HA 0.360 4.827 4.470 -0.005 0.000 0.321 1245 S C -0.482 174.177 174.600 0.100 0.000 1.080 1245 S CA -0.621 57.666 58.200 0.145 0.000 1.106 1245 S CB 0.924 64.213 63.200 0.147 0.000 0.984 1245 S HN 0.480 nan 8.310 nan 0.000 0.464 1246 E N 1.785 122.082 120.200 0.162 0.000 2.092 1246 E HA 0.346 4.693 4.350 -0.005 0.000 0.271 1246 E C -0.418 176.242 176.600 0.100 0.000 0.919 1246 E CA -0.516 56.010 56.400 0.211 0.000 0.760 1246 E CB 1.055 30.967 29.700 0.355 0.000 1.106 1246 E HN 0.617 nan 8.360 nan 0.000 0.408 1247 S N 1.978 117.708 115.700 0.050 0.000 3.697 1247 S HA -0.136 4.331 4.470 -0.005 0.000 0.388 1247 S C 0.024 174.779 174.600 0.260 0.000 0.941 1247 S CA 0.559 58.779 58.200 0.034 0.000 1.247 1247 S CB -1.107 62.007 63.200 -0.144 0.000 0.904 1247 S HN 0.957 nan 8.310 nan 0.000 0.518 1248 G N -1.012 107.953 108.800 0.276 0.000 2.238 1248 G HA2 0.504 4.460 3.960 -0.005 0.000 0.276 1248 G HA3 0.504 4.460 3.960 -0.005 0.000 0.276 1248 G C -0.879 174.094 174.900 0.122 0.000 1.744 1248 G CA 0.089 45.363 45.100 0.291 0.000 0.912 1248 G HN 1.505 nan 8.290 nan 0.000 0.744 1249 V N -0.891 119.064 119.914 0.068 0.000 3.165 1249 V HA 0.929 5.046 4.120 -0.005 0.000 0.309 1249 V C 1.326 177.411 176.094 -0.015 0.000 1.267 1249 V CA -0.032 62.286 62.300 0.031 0.000 1.067 1249 V CB 1.115 32.949 31.823 0.019 0.000 1.082 1249 V HN 2.201 nan 8.190 nan 0.000 0.451 1250 A N -0.398 122.410 122.820 -0.019 0.000 2.178 1250 A HA 0.156 4.473 4.320 -0.005 0.000 0.218 1250 A C 1.565 179.107 177.584 -0.070 0.000 1.157 1250 A CA 1.509 53.513 52.037 -0.055 0.000 0.689 1250 A CB -0.704 18.263 19.000 -0.055 0.000 0.787 1250 A HN 0.813 nan 8.150 nan 0.000 0.465 1251 L N -0.429 120.755 121.223 -0.065 0.000 2.592 1251 L HA 0.041 4.378 4.340 -0.005 0.000 0.227 1251 L C 0.302 177.088 176.870 -0.141 0.000 1.127 1251 L CA 0.109 54.895 54.840 -0.090 0.000 0.884 1251 L CB -0.080 41.940 42.059 -0.064 0.000 1.065 1251 L HN 0.108 nan 8.230 nan 0.000 0.457 1252 T N 0.437 114.900 114.554 -0.151 0.000 3.455 1252 T HA 0.015 4.361 4.350 -0.005 0.000 0.286 1252 T C 1.528 176.094 174.700 -0.222 0.000 1.157 1252 T CA 0.225 62.181 62.100 -0.240 0.000 1.090 1252 T CB 0.409 69.132 68.868 -0.242 0.000 1.112 1252 T HN 0.404 nan 8.240 nan 0.000 0.779 1253 S N 2.267 117.827 115.700 -0.233 0.000 2.400 1253 S HA -0.175 4.292 4.470 -0.005 0.000 0.234 1253 S C 2.126 176.606 174.600 -0.200 0.000 1.049 1253 S CA 1.399 59.470 58.200 -0.216 0.000 1.039 1253 S CB -0.743 62.303 63.200 -0.256 0.000 0.856 1253 S HN 0.491 nan 8.310 nan 0.000 0.465 1254 V N 0.923 120.707 119.914 -0.217 0.000 2.828 1254 V HA 0.028 4.145 4.120 -0.005 0.000 0.260 1254 V C 1.795 177.806 176.094 -0.137 0.000 1.101 1254 V CA 1.626 63.825 62.300 -0.170 0.000 1.123 1254 V CB -0.531 31.195 31.823 -0.162 0.000 0.704 1254 V HN 0.636 nan 8.190 nan 0.000 0.493 1255 L N -0.837 120.299 121.223 -0.144 0.000 2.590 1255 L HA 0.250 4.587 4.340 -0.005 0.000 0.227 1255 L C 0.185 176.972 176.870 -0.138 0.000 1.099 1255 L CA -0.044 54.713 54.840 -0.140 0.000 0.872 1255 L CB 0.744 42.733 42.059 -0.117 0.000 1.088 1255 L HN 0.050 nan 8.230 nan 0.000 0.479 1256 V N 1.010 120.848 119.914 -0.125 0.000 2.409 1256 V HA 0.301 4.418 4.120 -0.005 0.000 0.291 1256 V C -0.192 175.841 176.094 -0.102 0.000 1.020 1256 V CA -0.986 61.250 62.300 -0.107 0.000 0.848 1256 V CB 1.557 33.318 31.823 -0.104 0.000 0.990 1256 V HN 0.006 nan 8.190 nan 0.000 0.430 1257 K N 4.687 125.035 120.400 -0.087 0.000 2.312 1257 K HA 0.471 4.788 4.320 -0.005 0.000 0.287 1257 K C -0.339 176.218 176.600 -0.072 0.000 1.062 1257 K CA -0.149 56.093 56.287 -0.076 0.000 0.934 1257 K CB 1.068 33.527 32.500 -0.068 0.000 1.027 1257 K HN 0.573 nan 8.250 nan 0.000 0.478 1258 K N 0.821 121.180 120.400 -0.069 0.000 2.259 1258 K HA 0.591 4.907 4.320 -0.005 0.000 0.252 1258 K C 0.337 176.908 176.600 -0.048 0.000 0.936 1258 K CA -0.516 55.733 56.287 -0.063 0.000 0.810 1258 K CB 1.931 34.388 32.500 -0.072 0.000 1.143 1258 K HN 0.758 nan 8.250 nan 0.000 0.427 1259 G N 2.068 110.841 108.800 -0.044 0.000 2.484 1259 G HA2 -0.245 3.712 3.960 -0.005 0.000 0.225 1259 G HA3 -0.245 3.712 3.960 -0.005 0.000 0.225 1259 G C -1.161 173.718 174.900 -0.035 0.000 1.250 1259 G CA -0.306 44.773 45.100 -0.034 0.000 0.926 1259 G HN 0.654 nan 8.290 nan 0.000 0.581 1260 D N 0.552 120.935 120.400 -0.028 0.000 2.295 1260 D HA 0.452 5.089 4.640 -0.005 0.000 0.248 1260 D C 1.625 177.903 176.300 -0.036 0.000 1.154 1260 D CA 0.488 54.470 54.000 -0.031 0.000 0.857 1260 D CB 1.369 42.157 40.800 -0.020 0.000 1.117 1260 D HN 1.211 nan 8.370 nan 0.000 0.468 1261 V N 2.025 121.907 119.914 -0.054 0.000 3.650 1261 V HA 0.157 4.274 4.120 -0.005 0.000 0.271 1261 V C 1.971 178.019 176.094 -0.077 0.000 1.281 1261 V CA 0.196 62.455 62.300 -0.068 0.000 1.120 1261 V CB -0.137 31.626 31.823 -0.099 0.000 0.856 1261 V HN 0.291 nan 8.190 nan 0.000 0.443 1262 K N 2.295 122.658 120.400 -0.061 0.000 2.044 1262 K HA -0.057 4.260 4.320 -0.005 0.000 0.210 1262 K C -0.176 176.408 176.600 -0.027 0.000 1.049 1262 K CA 2.451 58.708 56.287 -0.049 0.000 0.927 1262 K CB -1.685 30.800 32.500 -0.026 0.000 0.713 1262 K HN 0.436 nan 8.250 nan 0.000 0.443 1263 P HA -0.178 nan 4.420 nan 0.000 0.215 1263 P C 1.449 178.757 177.300 0.013 0.000 1.157 1263 P CA 1.123 64.224 63.100 0.001 0.000 0.874 1263 P CB -0.025 31.675 31.700 0.001 0.000 0.790 1264 L N -0.944 120.284 121.223 0.009 0.000 2.017 1264 L HA -0.201 4.135 4.340 -0.005 0.000 0.208 1264 L C 2.181 179.086 176.870 0.059 0.000 1.073 1264 L CA 1.944 56.807 54.840 0.039 0.000 0.745 1264 L CB -0.901 41.177 42.059 0.032 0.000 0.894 1264 L HN -0.043 nan 8.230 nan 0.000 0.432 1265 A N -0.138 122.677 122.820 -0.009 0.000 1.908 1265 A HA -0.266 4.051 4.320 -0.005 0.000 0.218 1265 A C 1.990 179.670 177.584 0.160 0.000 1.181 1265 A CA 1.960 54.009 52.037 0.020 0.000 0.627 1265 A CB -0.557 18.315 19.000 -0.213 0.000 0.818 1265 A HN 0.615 nan 8.150 nan 0.000 0.445 1266 E N -0.854 119.394 120.200 0.080 0.000 2.106 1266 E HA -0.241 4.106 4.350 -0.005 0.000 0.192 1266 E C 2.226 178.867 176.600 0.067 0.000 0.984 1266 E CA 1.188 57.632 56.400 0.073 0.000 0.806 1266 E CB -0.183 29.541 29.700 0.039 0.000 0.750 1266 E HN 0.852 nan 8.360 nan 0.000 0.458 1267 Q N 0.989 120.828 119.800 0.065 0.000 2.119 1267 Q HA -0.164 4.172 4.340 -0.005 0.000 0.201 1267 Q C 2.141 178.179 176.000 0.065 0.000 0.972 1267 Q CA 1.125 56.958 55.803 0.049 0.000 0.847 1267 Q CB 0.013 28.776 28.738 0.041 0.000 0.903 1267 Q HN 0.294 nan 8.270 nan 0.000 0.433 1268 I N 0.695 121.339 120.570 0.124 0.000 2.202 1268 I HA -0.239 3.927 4.170 -0.005 0.000 0.242 1268 I C 2.507 178.661 176.117 0.061 0.000 1.091 1268 I CA 0.910 62.291 61.300 0.135 0.000 1.368 1268 I CB -0.496 37.665 38.000 0.267 0.000 1.058 1268 I HN 0.302 nan 8.210 nan 0.000 0.410 1269 A N 1.177 124.045 122.820 0.080 0.000 1.883 1269 A HA -0.206 4.110 4.320 -0.005 0.000 0.217 1269 A C 2.307 179.891 177.584 0.001 0.000 1.186 1269 A CA 1.667 53.711 52.037 0.012 0.000 0.624 1269 A CB -0.892 18.138 19.000 0.049 0.000 0.822 1269 A HN 0.385 nan 8.150 nan 0.000 0.444 1270 I N -0.461 120.119 120.570 0.017 0.000 2.179 1270 I HA -0.222 3.945 4.170 -0.005 0.000 0.242 1270 I C 2.506 178.620 176.117 -0.005 0.000 1.088 1270 I CA 1.789 63.091 61.300 0.005 0.000 1.357 1270 I CB -0.624 37.381 38.000 0.008 0.000 1.051 1270 I HN 0.272 nan 8.210 nan 0.000 0.409 1271 T N 0.710 115.262 114.554 -0.004 0.000 2.833 1271 T HA -0.115 4.231 4.350 -0.005 0.000 0.269 1271 T C 1.812 176.501 174.700 -0.019 0.000 1.054 1271 T CA 1.317 63.408 62.100 -0.015 0.000 1.135 1271 T CB -0.229 68.627 68.868 -0.020 0.000 0.869 1271 T HN 0.476 nan 8.240 nan 0.000 0.466 1272 A N 0.360 123.164 122.820 -0.025 0.000 2.208 1272 A HA 0.511 4.828 4.320 -0.005 0.000 0.209 1272 A C 1.889 179.451 177.584 -0.035 0.000 1.161 1272 A CA 0.792 52.805 52.037 -0.039 0.000 0.782 1272 A CB -0.598 18.360 19.000 -0.071 0.000 0.816 1272 A HN 0.756 nan 8.150 nan 0.000 0.477 1273 G N -2.035 106.750 108.800 -0.026 0.000 2.130 1273 G HA2 -0.215 3.742 3.960 -0.005 0.000 0.216 1273 G HA3 -0.215 3.742 3.960 -0.005 0.000 0.216 1273 G C 0.063 174.949 174.900 -0.023 0.000 0.999 1273 G CA -0.035 45.052 45.100 -0.022 0.000 0.686 1273 G HN 0.579 nan 8.290 nan 0.000 0.515 1274 c N 0.392 118.977 118.600 -0.025 0.000 2.358 1274 c HA 0.695 5.262 4.570 -0.005 0.000 0.354 1274 c C 0.999 175.085 174.090 -0.007 0.000 1.183 1274 c CA -0.821 55.495 56.329 -0.023 0.000 2.150 1274 c CB 1.395 43.881 42.510 -0.040 0.000 2.361 1274 c HN 0.491 nan 8.230 nan 0.000 0.535 1275 K N 0.689 121.089 120.400 0.000 0.000 2.126 1275 K HA 0.332 4.648 4.320 -0.005 0.000 0.257 1275 K C 0.652 177.260 176.600 0.013 0.000 1.007 1275 K CA 0.191 56.482 56.287 0.007 0.000 0.928 1275 K CB 0.679 33.184 32.500 0.009 0.000 1.013 1275 K HN 0.870 nan 8.250 nan 0.000 0.473 1276 T N -2.439 112.124 114.554 0.015 0.000 3.228 1276 T HA 0.057 4.404 4.350 -0.005 0.000 0.278 1276 T C 1.109 175.819 174.700 0.015 0.000 1.014 1276 T CA -0.393 61.720 62.100 0.022 0.000 0.904 1276 T CB 0.088 68.970 68.868 0.024 0.000 1.110 1276 T HN 0.428 nan 8.240 nan 0.000 0.541 1277 T N 2.919 117.479 114.554 0.009 0.000 2.624 1277 T HA -0.061 4.286 4.350 -0.005 0.000 0.268 1277 T C 1.211 175.911 174.700 -0.000 0.000 1.041 1277 T CA 2.047 64.149 62.100 0.003 0.000 1.159 1277 T CB -0.445 68.422 68.868 -0.001 0.000 0.863 1277 T HN 0.848 nan 8.240 nan 0.000 0.434 1278 T N -2.371 112.179 114.554 -0.007 0.000 2.812 1278 T HA 0.510 4.857 4.350 -0.005 0.000 0.294 1278 T C 0.956 175.645 174.700 -0.018 0.000 1.159 1278 T CA -0.436 61.654 62.100 -0.018 0.000 1.008 1278 T CB 1.763 70.598 68.868 -0.054 0.000 1.289 1278 T HN -0.137 nan 8.240 nan 0.000 0.514 1279 S N 0.376 116.067 115.700 -0.016 0.000 2.355 1279 S HA -0.001 4.466 4.470 -0.005 0.000 0.222 1279 S C 2.496 177.062 174.600 -0.057 0.000 1.031 1279 S CA 1.241 59.456 58.200 0.026 0.000 0.993 1279 S CB -0.978 62.312 63.200 0.150 0.000 0.859 1279 S HN 0.941 nan 8.310 nan 0.000 0.453 1280 A N 1.183 123.797 122.820 -0.344 0.000 1.908 1280 A HA -0.071 4.246 4.320 -0.005 0.000 0.218 1280 A C 2.341 179.872 177.584 -0.088 0.000 1.181 1280 A CA 1.572 53.388 52.037 -0.369 0.000 0.627 1280 A CB -0.927 17.715 19.000 -0.597 0.000 0.818 1280 A HN 0.343 nan 8.150 nan 0.000 0.445 1281 V N -0.123 119.753 119.914 -0.063 0.000 2.307 1281 V HA -0.315 3.802 4.120 -0.005 0.000 0.245 1281 V C 2.651 178.775 176.094 0.051 0.000 1.045 1281 V CA 2.214 64.524 62.300 0.017 0.000 1.024 1281 V CB -0.670 31.154 31.823 0.001 0.000 0.651 1281 V HN 0.578 nan 8.190 nan 0.000 0.449 1282 M N -0.669 118.953 119.600 0.037 0.000 2.080 1282 M HA -0.173 4.304 4.480 -0.005 0.000 0.260 1282 M C 2.212 178.513 176.300 0.002 0.000 1.068 1282 M CA 1.734 57.058 55.300 0.041 0.000 1.109 1282 M CB -0.539 32.128 32.600 0.112 0.000 1.342 1282 M HN 0.254 nan 8.290 nan 0.000 0.405 1283 V N -0.627 119.321 119.914 0.057 0.000 2.358 1283 V HA -0.285 3.832 4.120 -0.005 0.000 0.246 1283 V C 2.271 178.408 176.094 0.071 0.000 1.047 1283 V CA 2.344 64.662 62.300 0.031 0.000 1.035 1283 V CB -1.089 30.823 31.823 0.148 0.000 0.658 1283 V HN 0.486 nan 8.190 nan 0.000 0.452 1284 H N -0.415 118.660 119.070 0.008 0.000 2.319 1284 H HA -0.231 4.322 4.556 -0.005 0.000 0.299 1284 H C 2.388 177.715 175.328 -0.002 0.000 1.092 1284 H CA 2.379 58.433 56.048 0.009 0.000 1.302 1284 H CB -0.743 29.014 29.762 -0.008 0.000 1.373 1284 H HN 0.452 nan 8.280 nan 0.000 0.497 1285 c N 0.057 118.589 118.600 -0.113 0.000 2.413 1285 c HA -0.106 4.461 4.570 -0.005 0.000 0.277 1285 c C 2.849 176.844 174.090 -0.158 0.000 1.228 1285 c CA 1.158 57.388 56.329 -0.165 0.000 1.731 1285 c CB -1.478 40.993 42.510 -0.065 0.000 2.042 1285 c HN 0.676 nan 8.230 nan 0.000 0.468 1286 L N 0.204 121.347 121.223 -0.133 0.000 2.127 1286 L HA -0.124 4.213 4.340 -0.005 0.000 0.211 1286 L C 2.949 179.819 176.870 -0.001 0.000 1.089 1286 L CA 1.504 56.272 54.840 -0.119 0.000 0.757 1286 L CB -0.645 41.222 42.059 -0.320 0.000 0.899 1286 L HN 0.383 nan 8.230 nan 0.000 0.434 1287 R N -0.429 120.080 120.500 0.015 0.000 2.189 1287 R HA -0.114 4.222 4.340 -0.005 0.000 0.218 1287 R C 2.007 178.234 176.300 -0.122 0.000 1.074 1287 R CA 0.771 56.846 56.100 -0.043 0.000 0.991 1287 R CB -0.041 30.252 30.300 -0.011 0.000 0.883 1287 R HN 0.516 nan 8.270 nan 0.000 0.457 1288 Q N 0.063 119.763 119.800 -0.166 0.000 2.424 1288 Q HA 0.041 4.378 4.340 -0.005 0.000 0.204 1288 Q C -0.015 175.926 176.000 -0.098 0.000 0.933 1288 Q CA 0.394 56.106 55.803 -0.152 0.000 0.929 1288 Q CB 0.421 29.034 28.738 -0.208 0.000 1.037 1288 Q HN -0.013 nan 8.270 nan 0.000 0.511 1289 K N 2.037 122.383 120.400 -0.091 0.000 2.258 1289 K HA 0.079 4.396 4.320 -0.005 0.000 0.264 1289 K C 0.472 177.051 176.600 -0.034 0.000 1.007 1289 K CA 0.141 56.390 56.287 -0.063 0.000 0.941 1289 K CB 0.668 33.124 32.500 -0.074 0.000 0.966 1289 K HN 0.126 nan 8.250 nan 0.000 0.480 1290 T N -2.460 112.090 114.554 -0.007 0.000 2.849 1290 T HA 0.058 4.405 4.350 -0.005 0.000 0.284 1290 T C 1.337 176.087 174.700 0.084 0.000 1.004 1290 T CA -0.569 61.545 62.100 0.023 0.000 1.021 1290 T CB 1.120 70.000 68.868 0.019 0.000 1.013 1290 T HN 0.639 nan 8.240 nan 0.000 0.527 1291 E N 0.145 120.419 120.200 0.123 0.000 2.058 1291 E HA -0.271 4.076 4.350 -0.005 0.000 0.194 1291 E C 1.879 178.621 176.600 0.237 0.000 0.997 1291 E CA 1.601 58.148 56.400 0.244 0.000 0.801 1291 E CB -0.149 29.621 29.700 0.117 0.000 0.746 1291 E HN 0.791 nan 8.360 nan 0.000 0.450 1292 E N 0.914 121.187 120.200 0.122 0.000 2.085 1292 E HA -0.216 4.131 4.350 -0.005 0.000 0.194 1292 E C 1.807 178.467 176.600 0.099 0.000 0.994 1292 E CA 1.802 58.262 56.400 0.099 0.000 0.801 1292 E CB -0.104 29.627 29.700 0.051 0.000 0.743 1292 E HN 0.377 nan 8.360 nan 0.000 0.453 1293 E N -0.308 119.934 120.200 0.070 0.000 2.085 1293 E HA -0.159 4.188 4.350 -0.005 0.000 0.194 1293 E C 2.137 178.758 176.600 0.034 0.000 0.994 1293 E CA 1.252 57.675 56.400 0.037 0.000 0.801 1293 E CB -0.151 29.552 29.700 0.006 0.000 0.743 1293 E HN 0.304 nan 8.360 nan 0.000 0.453 1294 L N 0.418 121.666 121.223 0.042 0.000 2.201 1294 L HA -0.140 4.197 4.340 -0.005 0.000 0.212 1294 L C 2.402 179.314 176.870 0.070 0.000 1.105 1294 L CA 0.165 54.960 54.840 -0.074 0.000 0.775 1294 L CB -0.204 41.639 42.059 -0.360 0.000 0.913 1294 L HN 0.215 nan 8.230 nan 0.000 0.440 1295 L N -0.004 121.392 121.223 0.288 0.000 2.109 1295 L HA -0.143 4.194 4.340 -0.005 0.000 0.207 1295 L C 2.347 179.325 176.870 0.179 0.000 1.086 1295 L CA 1.697 56.740 54.840 0.339 0.000 0.760 1295 L CB -0.430 41.796 42.059 0.278 0.000 0.910 1295 L HN 0.188 nan 8.230 nan 0.000 0.437 1296 E N -1.187 119.081 120.200 0.113 0.000 2.077 1296 E HA -0.188 4.159 4.350 -0.005 0.000 0.193 1296 E C 1.920 178.550 176.600 0.050 0.000 0.989 1296 E CA 1.679 58.118 56.400 0.066 0.000 0.800 1296 E CB -0.239 29.485 29.700 0.041 0.000 0.746 1296 E HN 0.495 nan 8.360 nan 0.000 0.452 1297 T N 0.652 115.231 114.554 0.042 0.000 2.720 1297 T HA -0.148 4.199 4.350 -0.005 0.000 0.268 1297 T C 2.020 176.756 174.700 0.060 0.000 1.037 1297 T CA 1.715 63.829 62.100 0.023 0.000 1.144 1297 T CB -0.391 68.473 68.868 -0.006 0.000 0.864 1297 T HN 0.187 nan 8.240 nan 0.000 0.444 1298 T N 2.564 117.202 114.554 0.140 0.000 2.708 1298 T HA 0.016 4.363 4.350 -0.005 0.000 0.266 1298 T C 1.990 176.783 174.700 0.154 0.000 1.037 1298 T CA 0.962 63.227 62.100 0.275 0.000 1.146 1298 T CB -0.477 68.609 68.868 0.362 0.000 0.865 1298 T HN 0.279 nan 8.240 nan 0.000 0.435 1299 L N 0.436 121.724 121.223 0.108 0.000 2.046 1299 L HA -0.099 4.238 4.340 -0.005 0.000 0.208 1299 L C 2.645 179.504 176.870 -0.018 0.000 1.077 1299 L CA 1.415 56.287 54.840 0.054 0.000 0.747 1299 L CB -0.566 41.525 42.059 0.053 0.000 0.896 1299 L HN 0.228 nan 8.230 nan 0.000 0.432 1300 K N -0.417 119.964 120.400 -0.031 0.000 2.097 1300 K HA -0.121 4.196 4.320 -0.005 0.000 0.206 1300 K C 2.092 178.603 176.600 -0.148 0.000 1.049 1300 K CA 1.114 57.361 56.287 -0.068 0.000 0.933 1300 K CB -0.085 32.385 32.500 -0.049 0.000 0.717 1300 K HN 0.212 nan 8.250 nan 0.000 0.442 1301 M N 1.379 120.827 119.600 -0.252 0.000 2.460 1301 M HA -0.100 4.376 4.480 -0.005 0.000 0.263 1301 M C 0.349 176.301 176.300 -0.580 0.000 1.071 1301 M CA 1.107 56.077 55.300 -0.551 0.000 1.096 1301 M CB -0.815 31.110 32.600 -1.124 0.000 1.408 1301 M HN 0.225 nan 8.290 nan 0.000 0.463 1302 K N -0.157 120.046 120.400 -0.328 0.000 3.148 1302 K HA -0.196 4.120 4.320 -0.005 0.000 0.267 1302 K C -0.869 175.649 176.600 -0.137 0.000 0.996 1302 K CA 0.327 56.514 56.287 -0.168 0.000 0.737 1302 K CB -2.804 29.623 32.500 -0.122 0.000 1.308 1302 K HN 0.128 nan 8.250 nan 0.000 0.470 1303 F N 0.430 120.404 119.950 0.039 0.000 2.485 1303 F HA 0.220 4.743 4.527 -0.006 0.000 0.327 1303 F C 2.024 177.848 175.800 0.040 0.000 1.203 1303 F CA 0.331 58.357 58.000 0.043 0.000 1.295 1303 F CB 0.331 39.369 39.000 0.063 0.000 1.191 1303 F HN 0.195 nan 8.300 nan 0.000 0.588 1304 L N 0.385 121.770 121.223 0.269 0.000 4.232 1304 L HA -0.291 4.046 4.340 -0.005 0.000 0.415 1304 L C -0.373 176.565 176.870 0.113 0.000 1.168 1304 L CA 0.116 55.051 54.840 0.158 0.000 0.966 1304 L CB -1.987 40.154 42.059 0.137 0.000 2.052 1304 L HN 0.517 nan 8.230 nan 0.000 0.887 1305 S N -0.247 115.513 115.700 0.100 0.000 2.548 1305 S HA 0.675 5.142 4.470 -0.005 0.000 0.286 1305 S C -0.522 174.110 174.600 0.053 0.000 1.098 1305 S CA -0.631 57.608 58.200 0.065 0.000 0.930 1305 S CB 2.653 65.870 63.200 0.029 0.000 1.070 1305 S HN 0.195 nan 8.310 nan 0.000 0.480 1306 L N 3.445 124.692 121.223 0.040 0.000 2.325 1306 L HA 0.377 4.714 4.340 -0.005 0.000 0.284 1306 L C -0.374 176.456 176.870 -0.066 0.000 1.089 1306 L CA -0.125 54.700 54.840 -0.024 0.000 0.836 1306 L CB 0.255 42.220 42.059 -0.157 0.000 1.184 1306 L HN 0.514 nan 8.230 nan 0.000 0.444 1307 D N 4.451 124.814 120.400 -0.062 0.000 2.339 1307 D HA 0.080 4.717 4.640 -0.005 0.000 0.256 1307 D C 0.708 176.953 176.300 -0.091 0.000 1.214 1307 D CA 0.205 54.163 54.000 -0.070 0.000 0.877 1307 D CB 0.709 41.469 40.800 -0.066 0.000 1.111 1307 D HN 0.613 nan 8.370 nan 0.000 0.478 1308 L N 2.552 123.727 121.223 -0.081 0.000 2.592 1308 L HA 0.141 4.477 4.340 -0.005 0.000 0.227 1308 L C 1.006 177.844 176.870 -0.053 0.000 1.127 1308 L CA 0.094 54.888 54.840 -0.076 0.000 0.884 1308 L CB -0.081 41.937 42.059 -0.067 0.000 1.065 1308 L HN 0.352 nan 8.230 nan 0.000 0.457 1309 Q N 0.937 120.706 119.800 -0.052 0.000 2.340 1309 Q HA 0.531 4.867 4.340 -0.005 0.000 0.268 1309 Q C 0.017 175.992 176.000 -0.041 0.000 1.031 1309 Q CA 0.541 56.322 55.803 -0.037 0.000 0.804 1309 Q CB 2.361 31.081 28.738 -0.031 0.000 1.286 1309 Q HN 0.266 nan 8.270 nan 0.000 0.448 1310 G N 3.611 112.396 108.800 -0.025 0.000 2.587 1310 G HA2 -0.217 3.740 3.960 -0.005 0.000 0.212 1310 G HA3 -0.217 3.740 3.960 -0.005 0.000 0.212 1310 G C -1.002 173.876 174.900 -0.036 0.000 1.327 1310 G CA -0.258 44.827 45.100 -0.025 0.000 0.898 1310 G HN 0.636 nan 8.290 nan 0.000 0.551 1311 D N 1.879 122.252 120.400 -0.045 0.000 2.339 1311 D HA 0.383 5.020 4.640 -0.005 0.000 0.241 1311 D C -0.251 175.926 176.300 -0.206 0.000 1.183 1311 D CA -1.329 52.626 54.000 -0.075 0.000 0.859 1311 D CB 1.356 42.137 40.800 -0.032 0.000 1.067 1311 D HN 0.117 nan 8.370 nan 0.000 0.484 1312 P HA -0.144 nan 4.420 nan 0.000 0.222 1312 P C 0.878 177.957 177.300 -0.368 0.000 1.142 1312 P CA 0.668 63.490 63.100 -0.464 0.000 0.788 1312 P CB 0.314 31.518 31.700 -0.827 0.000 0.767 1313 R N 0.012 120.228 120.500 -0.473 0.000 2.307 1313 R HA 0.029 4.366 4.340 -0.005 0.000 0.199 1313 R C 1.580 177.822 176.300 -0.097 0.000 1.000 1313 R CA 0.628 56.515 56.100 -0.355 0.000 1.023 1313 R CB -0.096 29.924 30.300 -0.467 0.000 0.908 1313 R HN 0.395 nan 8.270 nan 0.000 0.473 1314 E N -0.223 119.921 120.200 -0.094 0.000 2.526 1314 E HA 0.114 4.461 4.350 -0.005 0.000 0.208 1314 E C -0.401 176.183 176.600 -0.027 0.000 0.997 1314 E CA -0.125 56.250 56.400 -0.042 0.000 0.961 1314 E CB 0.987 30.661 29.700 -0.043 0.000 1.030 1314 E HN 0.022 nan 8.360 nan 0.000 0.483 1315 S N 1.812 117.491 115.700 -0.035 0.000 2.531 1315 S HA 0.135 4.601 4.470 -0.005 0.000 0.279 1315 S C 0.046 174.661 174.600 0.024 0.000 1.305 1315 S CA -0.138 58.050 58.200 -0.020 0.000 1.058 1315 S CB 0.858 64.034 63.200 -0.040 0.000 0.899 1315 S HN 0.093 nan 8.310 nan 0.000 0.493 1316 Q N 3.763 123.593 119.800 0.050 0.000 2.674 1316 Q HA 0.321 4.658 4.340 -0.005 0.000 0.249 1316 Q C -1.986 174.150 176.000 0.227 0.000 1.011 1316 Q CA -1.885 53.993 55.803 0.125 0.000 0.734 1316 Q CB 1.083 29.920 28.738 0.165 0.000 1.201 1316 Q HN 0.290 nan 8.270 nan 0.000 0.498 1317 P HA -0.041 nan 4.420 nan 0.000 0.222 1317 P C -0.371 177.114 177.300 0.308 0.000 1.153 1317 P CA 0.766 64.004 63.100 0.230 0.000 0.798 1317 P CB 0.726 32.501 31.700 0.125 0.000 0.796 1318 L N -1.258 120.057 121.223 0.154 0.000 2.359 1318 L HA 0.498 4.835 4.340 -0.005 0.000 0.256 1318 L C -0.333 176.419 176.870 -0.196 0.000 1.026 1318 L CA -1.266 53.534 54.840 -0.067 0.000 0.828 1318 L CB 2.064 44.077 42.059 -0.077 0.000 1.406 1318 L HN -0.306 nan 8.230 nan 0.000 0.413 1319 L N 1.157 122.159 121.223 -0.369 0.000 2.294 1319 L HA 0.721 5.057 4.340 -0.005 0.000 0.283 1319 L C 0.298 177.010 176.870 -0.262 0.000 1.015 1319 L CA -0.079 54.611 54.840 -0.250 0.000 0.831 1319 L CB 1.358 43.269 42.059 -0.248 0.000 1.217 1319 L HN 0.834 nan 8.230 nan 0.000 0.420 1320 G N 1.431 110.079 108.800 -0.253 0.000 3.247 1320 G HA2 0.400 4.356 3.960 -0.005 0.000 0.226 1320 G HA3 0.400 4.356 3.960 -0.005 0.000 0.226 1320 G C -0.656 174.087 174.900 -0.262 0.000 1.220 1320 G CA -0.376 44.435 45.100 -0.481 0.000 0.875 1320 G HN 0.311 nan 8.290 nan 0.000 0.606 1321 T N 0.598 115.035 114.554 -0.195 0.000 2.928 1321 T HA 0.409 4.755 4.350 -0.005 0.000 0.305 1321 T C 0.436 175.136 174.700 0.000 0.000 1.035 1321 T CA 0.373 62.508 62.100 0.059 0.000 1.145 1321 T CB 0.828 69.758 68.868 0.104 0.000 0.963 1321 T HN 1.174 nan 8.240 nan 0.000 0.545 1322 V N 0.299 120.220 119.914 0.012 0.000 3.102 1322 V HA 0.629 4.745 4.120 -0.005 0.000 0.312 1322 V C -0.639 175.419 176.094 -0.060 0.000 1.135 1322 V CA -1.371 60.901 62.300 -0.047 0.000 1.022 1322 V CB 1.846 33.623 31.823 -0.075 0.000 1.056 1322 V HN 0.599 nan 8.190 nan 0.000 0.436 1323 I N 3.713 124.239 120.570 -0.072 0.000 2.256 1323 I HA 0.286 4.452 4.170 -0.005 0.000 0.294 1323 I C 0.814 176.882 176.117 -0.081 0.000 1.127 1323 I CA 0.040 61.294 61.300 -0.076 0.000 1.247 1323 I CB 0.024 37.981 38.000 -0.071 0.000 1.460 1323 I HN 0.972 nan 8.210 nan 0.000 0.511 1324 D N 3.736 124.081 120.400 -0.092 0.000 2.305 1324 D HA 0.018 4.655 4.640 -0.005 0.000 0.206 1324 D C 1.389 177.642 176.300 -0.078 0.000 0.974 1324 D CA 0.975 54.914 54.000 -0.102 0.000 0.871 1324 D CB 0.495 41.207 40.800 -0.147 0.000 0.947 1324 D HN 0.664 nan 8.370 nan 0.000 0.516 1325 G N -0.069 108.689 108.800 -0.070 0.000 2.175 1325 G HA2 -0.262 3.694 3.960 -0.005 0.000 0.244 1325 G HA3 -0.262 3.694 3.960 -0.005 0.000 0.244 1325 G C 0.864 175.736 174.900 -0.047 0.000 0.982 1325 G CA 0.618 45.685 45.100 -0.056 0.000 0.641 1325 G HN 0.235 nan 8.290 nan 0.000 0.527 1326 M N -1.323 118.246 119.600 -0.051 0.000 3.160 1326 M HA 0.454 4.931 4.480 -0.005 0.000 0.222 1326 M C 2.229 178.507 176.300 -0.037 0.000 1.703 1326 M CA 1.020 56.301 55.300 -0.032 0.000 1.354 1326 M CB -1.335 31.252 32.600 -0.022 0.000 1.115 1326 M HN 0.233 nan 8.290 nan 0.000 0.594 1327 L N 0.835 122.029 121.223 -0.049 0.000 2.044 1327 L HA 0.146 4.482 4.340 -0.005 0.000 0.205 1327 L C 0.306 177.126 176.870 -0.084 0.000 1.075 1327 L CA 1.501 56.310 54.840 -0.052 0.000 0.747 1327 L CB 0.106 42.136 42.059 -0.049 0.000 0.903 1327 L HN 0.130 nan 8.230 nan 0.000 0.435 1328 L N -0.160 121.008 121.223 -0.092 0.000 2.356 1328 L HA 0.258 4.595 4.340 -0.005 0.000 0.277 1328 L C 0.326 177.138 176.870 -0.096 0.000 0.996 1328 L CA -0.422 54.352 54.840 -0.109 0.000 0.822 1328 L CB 1.943 43.937 42.059 -0.109 0.000 1.256 1328 L HN 0.085 nan 8.230 nan 0.000 0.413 1329 L N 1.761 122.921 121.223 -0.105 0.000 2.477 1329 L HA 0.227 4.563 4.340 -0.005 0.000 0.220 1329 L C 0.447 177.270 176.870 -0.079 0.000 1.106 1329 L CA 0.687 55.475 54.840 -0.086 0.000 0.851 1329 L CB -0.038 41.967 42.059 -0.089 0.000 0.994 1329 L HN 0.601 nan 8.230 nan 0.000 0.462 1330 K N -0.935 119.412 120.400 -0.088 0.000 2.499 1330 K HA 0.337 4.653 4.320 -0.005 0.000 0.277 1330 K C -0.484 176.069 176.600 -0.078 0.000 1.025 1330 K CA -0.712 55.530 56.287 -0.075 0.000 0.900 1330 K CB 1.469 33.927 32.500 -0.070 0.000 1.494 1330 K HN -0.160 nan 8.250 nan 0.000 0.442 1331 T N -1.473 113.040 114.554 -0.068 0.000 2.900 1331 T HA 0.086 4.433 4.350 -0.005 0.000 0.307 1331 T C -2.029 172.629 174.700 -0.070 0.000 1.065 1331 T CA -1.045 61.014 62.100 -0.070 0.000 1.105 1331 T CB 0.557 69.387 68.868 -0.063 0.000 0.979 1331 T HN 0.168 nan 8.240 nan 0.000 0.544 1332 P HA -0.074 nan 4.420 nan 0.000 0.216 1332 P C 1.329 178.604 177.300 -0.043 0.000 1.150 1332 P CA 0.998 64.061 63.100 -0.062 0.000 0.837 1332 P CB 0.065 31.726 31.700 -0.065 0.000 0.786 1333 E N -0.282 119.891 120.200 -0.045 0.000 2.077 1333 E HA -0.190 4.157 4.350 -0.005 0.000 0.193 1333 E C 1.921 178.507 176.600 -0.023 0.000 0.989 1333 E CA 1.221 57.603 56.400 -0.030 0.000 0.800 1333 E CB -0.599 29.079 29.700 -0.036 0.000 0.746 1333 E HN 0.416 nan 8.360 nan 0.000 0.452 1334 E N -0.058 120.122 120.200 -0.034 0.000 2.152 1334 E HA -0.085 4.262 4.350 -0.005 0.000 0.192 1334 E C 1.998 178.577 176.600 -0.034 0.000 0.983 1334 E CA 0.503 56.884 56.400 -0.031 0.000 0.818 1334 E CB 0.011 29.688 29.700 -0.038 0.000 0.758 1334 E HN 0.248 nan 8.360 nan 0.000 0.467 1335 L N 1.186 122.380 121.223 -0.048 0.000 2.156 1335 L HA -0.156 4.181 4.340 -0.005 0.000 0.208 1335 L C 2.563 179.417 176.870 -0.027 0.000 1.095 1335 L CA 0.854 55.656 54.840 -0.063 0.000 0.770 1335 L CB -0.332 41.666 42.059 -0.102 0.000 0.914 1335 L HN 0.180 nan 8.230 nan 0.000 0.439 1336 Q N -0.079 119.721 119.800 -0.001 0.000 2.515 1336 Q HA -0.034 4.303 4.340 -0.005 0.000 0.212 1336 Q C 1.743 177.766 176.000 0.038 0.000 0.970 1336 Q CA 0.919 56.745 55.803 0.038 0.000 0.941 1336 Q CB -0.069 28.700 28.738 0.053 0.000 0.998 1336 Q HN 0.399 nan 8.270 nan 0.000 0.518 1337 A N 1.084 123.916 122.820 0.019 0.000 2.132 1337 A HA -0.001 4.316 4.320 -0.005 0.000 0.213 1337 A C 0.802 178.398 177.584 0.021 0.000 1.154 1337 A CA 0.118 52.166 52.037 0.019 0.000 0.753 1337 A CB 0.012 19.017 19.000 0.009 0.000 0.826 1337 A HN 0.432 nan 8.150 nan 0.000 0.469 1338 E N 0.157 120.369 120.200 0.020 0.000 2.465 1338 E HA 0.119 4.466 4.350 -0.005 0.000 0.260 1338 E C 0.219 176.850 176.600 0.053 0.000 0.980 1338 E CA 0.450 56.869 56.400 0.033 0.000 0.927 1338 E CB 0.377 30.093 29.700 0.028 0.000 0.934 1338 E HN 0.118 nan 8.360 nan 0.000 0.459 1339 R N 3.144 123.672 120.500 0.047 0.000 2.629 1339 R HA 0.311 4.647 4.340 -0.005 0.000 0.386 1339 R C -0.476 175.849 176.300 0.042 0.000 1.071 1339 R CA -0.059 56.062 56.100 0.036 0.000 1.104 1339 R CB -0.010 30.300 30.300 0.017 0.000 1.370 1339 R HN 0.550 nan 8.270 nan 0.000 0.574 1340 N N -1.284 117.463 118.700 0.079 0.000 2.143 1340 N HA 0.136 4.872 4.740 -0.005 0.000 0.229 1340 N C -1.033 174.564 175.510 0.145 0.000 1.294 1340 N CA -0.156 52.943 53.050 0.080 0.000 0.883 1340 N CB 0.753 39.282 38.487 0.069 0.000 1.148 1340 N HN -0.012 nan 8.380 nan 0.000 0.511 1341 F N 1.549 121.498 119.950 -0.003 0.000 2.403 1341 F HA 0.321 4.845 4.527 -0.006 0.000 0.326 1341 F C 0.801 176.612 175.800 0.019 0.000 1.081 1341 F CA -1.083 56.927 58.000 0.017 0.000 1.041 1341 F CB 0.621 39.634 39.000 0.020 0.000 1.234 1341 F HN 0.067 nan 8.300 nan 0.000 0.503 1342 H N 2.453 120.884 119.070 -1.066 0.000 3.064 1342 H HA 0.122 4.674 4.556 -0.006 0.000 0.329 1342 H C -0.522 174.511 175.328 -0.491 0.000 1.020 1342 H CA 1.102 56.683 56.048 -0.777 0.000 1.402 1342 H CB 0.599 29.796 29.762 -0.942 0.000 1.379 1342 H HN 0.763 nan 8.280 nan 0.000 0.594 1343 T N 1.866 115.949 114.554 -0.786 0.000 2.930 1343 T HA 0.600 4.946 4.350 -0.005 0.000 0.290 1343 T C -0.116 174.299 174.700 -0.475 0.000 1.052 1343 T CA -0.391 61.450 62.100 -0.431 0.000 1.017 1343 T CB 1.734 70.438 68.868 -0.274 0.000 1.137 1343 T HN 0.558 nan 8.240 nan 0.000 0.511 1344 V N -2.791 117.065 119.914 -0.097 0.000 3.178 1344 V HA 0.768 4.884 4.120 -0.005 0.000 0.302 1344 V C -3.384 172.846 176.094 0.227 0.000 1.262 1344 V CA -2.923 59.368 62.300 -0.015 0.000 1.030 1344 V CB 1.365 33.167 31.823 -0.035 0.000 1.074 1344 V HN 0.746 nan 8.190 nan 0.000 0.438 1345 P HA 0.239 nan 4.420 nan 0.000 0.266 1345 P C -1.544 176.067 177.300 0.520 0.000 1.195 1345 P CA 0.506 63.807 63.100 0.335 0.000 0.768 1345 P CB -0.044 31.700 31.700 0.074 0.000 0.838 1346 Y N 3.190 123.673 120.300 0.306 0.000 2.354 1346 Y HA 0.489 5.036 4.550 -0.006 0.000 0.330 1346 Y C -0.832 175.006 175.900 -0.104 0.000 1.011 1346 Y CA -1.434 56.668 58.100 0.003 0.000 1.099 1346 Y CB 1.480 39.537 38.460 -0.672 0.000 1.179 1346 Y HN 0.218 nan 8.280 nan 0.000 0.442 1347 M N 7.812 127.315 119.600 -0.161 0.000 2.205 1347 M HA 0.601 5.078 4.480 -0.005 0.000 0.344 1347 M C -2.164 173.847 176.300 -0.482 0.000 1.085 1347 M CA -0.649 54.326 55.300 -0.541 0.000 1.001 1347 M CB 0.956 32.886 32.600 -1.116 0.000 1.626 1347 M HN 0.441 nan 8.290 nan 0.000 0.442 1348 V N 4.606 124.220 119.914 -0.501 0.000 2.483 1348 V HA 0.877 4.994 4.120 -0.005 0.000 0.297 1348 V C 0.164 175.956 176.094 -0.504 0.000 1.027 1348 V CA -0.577 61.408 62.300 -0.525 0.000 0.855 1348 V CB 1.462 32.875 31.823 -0.682 0.000 0.995 1348 V HN 1.016 nan 8.190 nan 0.000 0.424 1349 G N 3.967 112.380 108.800 -0.644 0.000 2.672 1349 G HA2 0.900 4.857 3.960 -0.005 0.000 0.292 1349 G HA3 0.900 4.857 3.960 -0.005 0.000 0.292 1349 G C -1.245 173.246 174.900 -0.682 0.000 1.375 1349 G CA -0.692 43.636 45.100 -1.288 0.000 0.890 1349 G HN 0.919 nan 8.290 nan 0.000 0.476 1350 I N -2.184 118.094 120.570 -0.486 0.000 3.174 1350 I HA 0.655 4.821 4.170 -0.005 0.000 0.313 1350 I C -1.287 174.899 176.117 0.116 0.000 1.155 1350 I CA -1.395 59.844 61.300 -0.100 0.000 0.977 1350 I CB 2.511 40.485 38.000 -0.044 0.000 1.248 1350 I HN 0.212 nan 8.210 nan 0.000 0.453 1351 N N 1.867 120.658 118.700 0.152 0.000 2.472 1351 N HA 0.285 5.021 4.740 -0.005 0.000 0.289 1351 N C 0.344 175.972 175.510 0.197 0.000 1.156 1351 N CA -0.704 52.508 53.050 0.270 0.000 0.940 1351 N CB 1.798 40.440 38.487 0.258 0.000 1.200 1351 N HN 0.616 nan 8.380 nan 0.000 0.511 1352 K N 0.644 121.167 120.400 0.205 0.000 2.074 1352 K HA -0.111 4.206 4.320 -0.005 0.000 0.209 1352 K C -0.097 176.592 176.600 0.149 0.000 1.048 1352 K CA 1.819 58.198 56.287 0.153 0.000 0.926 1352 K CB 0.107 32.681 32.500 0.123 0.000 0.713 1352 K HN 0.566 nan 8.250 nan 0.000 0.444 1353 Q N 0.226 120.124 119.800 0.163 0.000 2.965 1353 Q HA 0.111 4.448 4.340 -0.005 0.000 0.288 1353 Q C -0.297 175.816 176.000 0.189 0.000 0.974 1353 Q CA -0.299 55.608 55.803 0.173 0.000 0.849 1353 Q CB 1.442 30.279 28.738 0.164 0.000 1.280 1353 Q HN 0.159 nan 8.270 nan 0.000 0.441 1354 E N 0.161 120.463 120.200 0.170 0.000 2.209 1354 E HA -0.170 4.176 4.350 -0.005 0.000 0.196 1354 E C 0.378 177.105 176.600 0.211 0.000 0.993 1354 E CA 1.223 57.692 56.400 0.114 0.000 0.819 1354 E CB 0.189 29.846 29.700 -0.071 0.000 0.745 1354 E HN 0.455 nan 8.360 nan 0.000 0.477 1355 F N -0.103 119.891 119.950 0.074 0.000 2.791 1355 F HA 0.306 4.830 4.527 -0.004 0.000 0.308 1355 F C 1.642 177.476 175.800 0.057 0.000 1.138 1355 F CA -0.274 57.744 58.000 0.030 0.000 1.294 1355 F CB 0.670 39.653 39.000 -0.029 0.000 0.975 1355 F HN -0.089 nan 8.300 nan 0.000 0.512 1356 G N -0.060 108.837 108.800 0.160 0.000 2.421 1356 G HA2 -0.232 3.725 3.960 -0.005 0.000 0.217 1356 G HA3 -0.232 3.725 3.960 -0.005 0.000 0.217 1356 G C 0.966 175.997 174.900 0.219 0.000 1.143 1356 G CA 1.236 46.445 45.100 0.182 0.000 0.784 1356 G HN 0.622 nan 8.290 nan 0.000 0.541 1357 W N -1.661 119.597 121.300 -0.070 0.000 5.565 1357 W HA 0.242 4.899 4.660 -0.005 0.000 0.159 1357 W C 1.730 178.184 176.519 -0.109 0.000 2.343 1357 W CA 0.140 57.443 57.345 -0.071 0.000 1.917 1357 W CB -0.638 28.822 29.460 -0.000 0.000 0.660 1357 W HN -0.017 nan 8.180 nan 0.000 1.118 1358 L N 1.996 123.273 121.223 0.090 0.000 1.976 1358 L HA -0.239 4.098 4.340 -0.005 0.000 0.223 1358 L C 2.187 178.864 176.870 -0.321 0.000 1.081 1358 L CA 3.123 57.894 54.840 -0.115 0.000 0.784 1358 L CB -1.098 41.112 42.059 0.251 0.000 0.896 1358 L HN 0.224 nan 8.230 nan 0.000 0.438 1359 I N -0.084 120.306 120.570 -0.300 0.000 2.127 1359 I HA -0.212 3.954 4.170 -0.005 0.000 0.241 1359 I C -0.419 175.368 176.117 -0.550 0.000 1.075 1359 I CA 1.613 62.679 61.300 -0.389 0.000 1.334 1359 I CB -1.875 35.886 38.000 -0.398 0.000 1.040 1359 I HN 0.344 nan 8.210 nan 0.000 0.405 1360 P HA -0.162 nan 4.420 nan 0.000 0.220 1360 P C 1.092 178.185 177.300 -0.346 0.000 1.148 1360 P CA 1.277 63.956 63.100 -0.701 0.000 0.803 1360 P CB -0.073 31.129 31.700 -0.830 0.000 0.782 1364 M N -0.103 119.478 119.600 -0.032 0.000 2.428 1364 M HA 0.213 4.690 4.480 -0.005 0.000 0.239 1364 M C 0.403 176.772 176.300 0.116 0.000 1.121 1364 M CA 0.192 55.543 55.300 0.086 0.000 1.019 1364 M CB 0.563 33.285 32.600 0.205 0.000 1.485 1364 M HN 0.186 nan 8.290 nan 0.000 0.484 1365 S N 0.444 116.179 115.700 0.058 0.000 3.797 1365 S HA -0.167 4.300 4.470 -0.005 0.000 0.374 1365 S C -0.507 174.159 174.600 0.109 0.000 0.970 1365 S CA 0.207 58.436 58.200 0.050 0.000 1.177 1365 S CB -1.937 61.273 63.200 0.016 0.000 0.891 1365 S HN 0.441 nan 8.310 nan 0.000 0.491 1366 Y N 1.215 121.507 120.300 -0.012 0.000 2.425 1366 Y HA 0.310 4.856 4.550 -0.006 0.000 0.331 1366 Y C -1.689 174.235 175.900 0.041 0.000 1.157 1366 Y CA -1.477 56.654 58.100 0.051 0.000 1.372 1366 Y CB 0.369 38.894 38.460 0.107 0.000 1.253 1366 Y HN 0.086 nan 8.280 nan 0.000 0.536 1367 P HA 0.147 nan 4.420 nan 0.000 0.231 1367 P C -0.424 176.931 177.300 0.092 0.000 1.756 1367 P CA 0.550 63.679 63.100 0.050 0.000 0.990 1367 P CB -0.308 31.386 31.700 -0.010 0.000 1.973 1368 L N 0.277 121.579 121.223 0.132 0.000 3.154 1368 L HA 0.109 4.446 4.340 -0.005 0.000 0.266 1368 L C 1.684 178.614 176.870 0.099 0.000 1.300 1368 L CA 0.037 54.956 54.840 0.131 0.000 1.028 1368 L CB 0.016 42.193 42.059 0.197 0.000 1.412 1368 L HN 0.149 nan 8.230 nan 0.000 0.564 1369 S N -1.344 114.400 115.700 0.074 0.000 2.399 1369 S HA -0.135 4.332 4.470 -0.005 0.000 0.231 1369 S C 1.511 176.147 174.600 0.060 0.000 1.022 1369 S CA 0.854 59.092 58.200 0.065 0.000 0.983 1369 S CB -0.009 63.220 63.200 0.048 0.000 0.803 1369 S HN 0.380 nan 8.310 nan 0.000 0.480 1370 E N 1.004 121.235 120.200 0.053 0.000 2.502 1370 E HA 0.168 4.514 4.350 -0.005 0.000 0.194 1370 E C 1.802 178.434 176.600 0.054 0.000 1.062 1370 E CA 0.565 56.993 56.400 0.046 0.000 0.867 1370 E CB -0.388 29.331 29.700 0.033 0.000 0.888 1370 E HN 0.670 nan 8.360 nan 0.000 0.510 1371 G N 1.629 110.472 108.800 0.072 0.000 2.934 1371 G HA2 -0.397 3.560 3.960 -0.005 0.000 0.231 1371 G HA3 -0.397 3.560 3.960 -0.005 0.000 0.231 1371 G C 0.644 175.589 174.900 0.076 0.000 1.235 1371 G CA 1.125 46.275 45.100 0.083 0.000 0.812 1371 G HN 0.471 nan 8.290 nan 0.000 0.521 1372 Q N 0.077 119.910 119.800 0.055 0.000 2.316 1372 Q HA 0.775 5.112 4.340 -0.005 0.000 0.215 1372 Q C -0.666 175.352 176.000 0.030 0.000 1.020 1372 Q CA -0.397 55.435 55.803 0.047 0.000 0.970 1372 Q CB 2.033 30.793 28.738 0.036 0.000 1.187 1372 Q HN 0.927 nan 8.270 nan 0.000 0.546 1373 L N 1.150 122.385 121.223 0.019 0.000 2.611 1373 L HA 0.266 4.603 4.340 -0.005 0.000 0.260 1373 L C -1.900 174.963 176.870 -0.012 0.000 0.924 1373 L CA -0.246 54.583 54.840 -0.020 0.000 0.901 1373 L CB 2.139 44.157 42.059 -0.067 0.000 1.369 1373 L HN 0.910 nan 8.230 nan 0.000 0.415 1374 D N 3.054 123.441 120.400 -0.022 0.000 2.277 1374 D HA 0.190 4.827 4.640 -0.005 0.000 0.250 1374 D C 0.050 176.341 176.300 -0.014 0.000 1.032 1374 D CA -0.535 53.462 54.000 -0.005 0.000 0.947 1374 D CB 1.415 42.214 40.800 -0.001 0.000 1.159 1374 D HN 0.684 nan 8.370 nan 0.000 0.460 1375 Q N -0.108 119.699 119.800 0.011 0.000 2.234 1375 Q HA -0.189 4.148 4.340 -0.005 0.000 0.206 1375 Q C 1.970 177.980 176.000 0.017 0.000 0.980 1375 Q CA 1.288 57.106 55.803 0.025 0.000 0.869 1375 Q CB 0.025 28.790 28.738 0.046 0.000 0.912 1375 Q HN 0.514 nan 8.270 nan 0.000 0.436 1376 K N 0.087 120.492 120.400 0.008 0.000 2.057 1376 K HA -0.112 4.205 4.320 -0.005 0.000 0.206 1376 K C 1.901 178.500 176.600 -0.001 0.000 1.050 1376 K CA 1.569 57.862 56.287 0.010 0.000 0.935 1376 K CB 0.107 32.611 32.500 0.007 0.000 0.715 1376 K HN 0.072 nan 8.250 nan 0.000 0.439 1377 T N 0.837 115.375 114.554 -0.026 0.000 2.777 1377 T HA -0.084 4.263 4.350 -0.005 0.000 0.266 1377 T C 1.885 176.520 174.700 -0.109 0.000 1.040 1377 T CA 1.172 63.242 62.100 -0.051 0.000 1.141 1377 T CB -0.285 68.544 68.868 -0.064 0.000 0.868 1377 T HN 0.392 nan 8.240 nan 0.000 0.444 1378 A N 1.828 124.545 122.820 -0.171 0.000 1.883 1378 A HA -0.111 4.206 4.320 -0.005 0.000 0.217 1378 A C 2.363 179.933 177.584 -0.024 0.000 1.186 1378 A CA 1.677 53.512 52.037 -0.336 0.000 0.624 1378 A CB -0.753 18.117 19.000 -0.217 0.000 0.822 1378 A HN 0.454 nan 8.150 nan 0.000 0.444 1379 M N -0.827 118.816 119.600 0.072 0.000 2.159 1379 M HA -0.141 4.336 4.480 -0.005 0.000 0.263 1379 M C 2.549 178.960 176.300 0.185 0.000 1.063 1379 M CA 1.745 57.137 55.300 0.154 0.000 1.110 1379 M CB -0.424 32.238 32.600 0.103 0.000 1.374 1379 M HN 0.565 nan 8.290 nan 0.000 0.411 1380 S N 0.939 116.713 115.700 0.123 0.000 2.356 1380 S HA -0.087 4.380 4.470 -0.005 0.000 0.223 1380 S C 1.831 176.549 174.600 0.196 0.000 1.032 1380 S CA 1.070 59.366 58.200 0.160 0.000 1.005 1380 S CB -0.230 63.022 63.200 0.087 0.000 0.867 1380 S HN 0.416 nan 8.310 nan 0.000 0.449 1381 L N 0.719 122.017 121.223 0.124 0.000 2.083 1381 L HA -0.073 4.264 4.340 -0.005 0.000 0.209 1381 L C 2.513 179.582 176.870 0.333 0.000 1.083 1381 L CA 0.860 55.796 54.840 0.160 0.000 0.752 1381 L CB -0.540 41.569 42.059 0.085 0.000 0.899 1381 L HN 0.352 nan 8.230 nan 0.000 0.433 1382 L N -0.568 120.921 121.223 0.443 0.000 2.083 1382 L HA -0.252 4.085 4.340 -0.005 0.000 0.209 1382 L C 2.189 179.304 176.870 0.408 0.000 1.083 1382 L CA 1.752 56.866 54.840 0.457 0.000 0.752 1382 L CB -0.659 41.680 42.059 0.467 0.000 0.899 1382 L HN 0.358 nan 8.230 nan 0.000 0.433 1383 W N 0.118 121.527 121.300 0.181 0.000 2.381 1383 W HA -0.197 4.459 4.660 -0.005 0.000 0.301 1383 W C 2.019 178.625 176.519 0.145 0.000 1.205 1383 W CA 0.625 58.065 57.345 0.157 0.000 1.285 1383 W CB 0.111 29.629 29.460 0.097 0.000 1.133 1383 W HN 0.017 nan 8.180 nan 0.000 0.521 1384 K N 0.650 121.066 120.400 0.027 0.000 2.209 1384 K HA -0.089 4.227 4.320 -0.005 0.000 0.204 1384 K C 1.725 178.264 176.600 -0.101 0.000 1.048 1384 K CA 1.193 57.390 56.287 -0.150 0.000 0.940 1384 K CB -0.790 31.656 32.500 -0.089 0.000 0.729 1384 K HN 0.021 nan 8.250 nan 0.000 0.451 1385 S N 0.867 116.591 115.700 0.040 0.000 2.720 1385 S HA -0.037 4.430 4.470 -0.005 0.000 0.222 1385 S C 1.223 175.838 174.600 0.025 0.000 0.958 1385 S CA -0.206 58.048 58.200 0.089 0.000 0.943 1385 S CB -0.377 62.943 63.200 0.198 0.000 0.779 1385 S HN 0.280 nan 8.310 nan 0.000 0.526 1386 Y N 3.851 124.057 120.300 -0.156 0.000 2.102 1386 Y HA -0.180 4.366 4.550 -0.006 0.000 0.280 1386 Y C -0.694 175.123 175.900 -0.138 0.000 1.178 1386 Y CA 1.930 59.924 58.100 -0.177 0.000 1.146 1386 Y CB -1.120 37.086 38.460 -0.424 0.000 0.968 1386 Y HN 0.269 nan 8.280 nan 0.000 0.504 1387 P HA -0.182 nan 4.420 nan 0.000 0.219 1387 P C 1.481 178.688 177.300 -0.155 0.000 1.146 1387 P CA 1.715 64.763 63.100 -0.087 0.000 0.808 1387 P CB -0.078 31.618 31.700 -0.006 0.000 0.779 1388 L N -0.764 120.377 121.223 -0.137 0.000 2.168 1388 L HA -0.014 4.323 4.340 -0.005 0.000 0.203 1388 L C 2.553 179.253 176.870 -0.283 0.000 1.078 1388 L CA 1.073 55.811 54.840 -0.169 0.000 0.780 1388 L CB -0.430 41.574 42.059 -0.091 0.000 0.939 1388 L HN -0.113 nan 8.230 nan 0.000 0.451 1389 V N -6.095 113.642 119.914 -0.294 0.000 3.379 1389 V HA 0.127 4.244 4.120 -0.005 0.000 0.249 1389 V C 1.141 177.016 176.094 -0.364 0.000 1.184 1389 V CA -0.282 61.822 62.300 -0.326 0.000 1.106 1389 V CB 0.158 31.820 31.823 -0.269 0.000 0.826 1389 V HN 0.487 nan 8.190 nan 0.000 0.465 1390 C N 0.914 119.872 119.300 -0.570 0.000 4.614 1390 C HA -0.128 4.329 4.460 -0.005 0.000 0.300 1390 C C 0.340 175.117 174.990 -0.355 0.000 1.301 1390 C CA -0.115 58.367 59.018 -0.894 0.000 2.073 1390 C CB -2.988 24.370 27.740 -0.637 0.000 1.219 1390 C HN 0.668 nan 8.230 nan 0.000 0.772 1391 I N 1.363 121.924 120.570 -0.016 0.000 2.307 1391 I HA 0.487 4.654 4.170 -0.005 0.000 0.289 1391 I C 0.987 177.465 176.117 0.602 0.000 1.021 1391 I CA 0.089 61.621 61.300 0.388 0.000 1.224 1391 I CB 1.131 39.396 38.000 0.441 0.000 1.376 1391 I HN 0.483 nan 8.210 nan 0.000 0.470 1392 A N 6.090 129.229 122.820 0.531 0.000 2.565 1392 A HA -0.024 4.292 4.320 -0.005 0.000 0.237 1392 A C 1.569 179.328 177.584 0.292 0.000 1.053 1392 A CA 0.114 52.424 52.037 0.455 0.000 0.755 1392 A CB 0.144 19.311 19.000 0.278 0.000 0.980 1392 A HN 0.937 nan 8.150 nan 0.000 0.506 1393 K N 1.328 121.753 120.400 0.042 0.000 2.127 1393 K HA -0.250 4.066 4.320 -0.005 0.000 0.208 1393 K C 1.757 178.275 176.600 -0.137 0.000 1.047 1393 K CA 2.237 58.322 56.287 -0.336 0.000 0.927 1393 K CB -0.122 31.743 32.500 -1.058 0.000 0.716 1393 K HN 0.930 nan 8.250 nan 0.000 0.450 1394 E N 0.195 120.354 120.200 -0.068 0.000 2.204 1394 E HA -0.194 4.153 4.350 -0.005 0.000 0.195 1394 E C 1.704 178.322 176.600 0.030 0.000 0.990 1394 E CA 0.987 57.372 56.400 -0.026 0.000 0.821 1394 E CB -0.181 29.515 29.700 -0.007 0.000 0.750 1394 E HN 0.370 nan 8.360 nan 0.000 0.477 1395 L N 0.514 121.791 121.223 0.091 0.000 2.529 1395 L HA 0.143 4.480 4.340 -0.005 0.000 0.223 1395 L C 2.301 179.257 176.870 0.144 0.000 1.113 1395 L CA -0.075 54.834 54.840 0.115 0.000 0.861 1395 L CB -0.095 42.068 42.059 0.174 0.000 1.012 1395 L HN 0.117 nan 8.230 nan 0.000 0.461 1396 I N 0.910 121.576 120.570 0.161 0.000 2.208 1396 I HA -0.222 3.944 4.170 -0.005 0.000 0.245 1396 I C -0.290 175.920 176.117 0.154 0.000 1.097 1396 I CA 1.626 63.043 61.300 0.195 0.000 1.363 1396 I CB -1.294 36.822 38.000 0.193 0.000 1.051 1396 I HN 0.221 nan 8.210 nan 0.000 0.413 1397 P HA -0.202 nan 4.420 nan 0.000 0.215 1397 P C 1.502 178.857 177.300 0.093 0.000 1.157 1397 P CA 1.463 64.611 63.100 0.080 0.000 0.868 1397 P CB 0.024 31.750 31.700 0.042 0.000 0.788 1398 E N -0.518 119.735 120.200 0.090 0.000 2.051 1398 E HA -0.201 4.145 4.350 -0.005 0.000 0.192 1398 E C 1.983 178.683 176.600 0.167 0.000 0.991 1398 E CA 1.319 57.781 56.400 0.102 0.000 0.799 1398 E CB -0.579 29.162 29.700 0.068 0.000 0.748 1398 E HN 0.038 nan 8.360 nan 0.000 0.449 1399 A N 0.130 123.066 122.820 0.192 0.000 1.858 1399 A HA -0.194 4.123 4.320 -0.005 0.000 0.216 1399 A C 2.419 180.142 177.584 0.231 0.000 1.190 1399 A CA 2.202 54.383 52.037 0.241 0.000 0.617 1399 A CB -1.111 18.077 19.000 0.314 0.000 0.827 1399 A HN 0.354 nan 8.150 nan 0.000 0.443 1400 T N -0.368 114.319 114.554 0.222 0.000 2.720 1400 T HA -0.154 4.192 4.350 -0.005 0.000 0.268 1400 T C 1.892 176.693 174.700 0.168 0.000 1.037 1400 T CA 1.756 63.991 62.100 0.225 0.000 1.144 1400 T CB -0.256 68.736 68.868 0.206 0.000 0.864 1400 T HN 0.636 nan 8.240 nan 0.000 0.444 1401 E N 1.607 121.873 120.200 0.111 0.000 2.051 1401 E HA -0.149 4.197 4.350 -0.005 0.000 0.192 1401 E C 2.099 178.701 176.600 0.005 0.000 0.991 1401 E CA 1.455 57.889 56.400 0.057 0.000 0.799 1401 E CB -0.288 29.436 29.700 0.038 0.000 0.748 1401 E HN 0.265 nan 8.360 nan 0.000 0.449 1402 K N -0.729 119.638 120.400 -0.055 0.000 2.044 1402 K HA -0.186 4.130 4.320 -0.005 0.000 0.210 1402 K C 1.931 178.373 176.600 -0.263 0.000 1.049 1402 K CA 1.837 57.948 56.287 -0.293 0.000 0.927 1402 K CB -0.675 31.355 32.500 -0.785 0.000 0.713 1402 K HN 0.293 nan 8.250 nan 0.000 0.443 1403 Y N -0.397 119.802 120.300 -0.169 0.000 2.347 1403 Y HA 0.166 4.712 4.550 -0.006 0.000 0.294 1403 Y C 1.735 177.640 175.900 0.009 0.000 1.117 1403 Y CA 0.875 58.937 58.100 -0.063 0.000 1.184 1403 Y CB 0.243 38.722 38.460 0.030 0.000 1.047 1403 Y HN -0.070 nan 8.280 nan 0.000 0.546 1404 L N -1.633 119.709 121.223 0.198 0.000 2.554 1404 L HA 0.197 4.533 4.340 -0.005 0.000 0.225 1404 L C 2.355 179.270 176.870 0.075 0.000 1.104 1404 L CA 0.487 55.416 54.840 0.148 0.000 0.866 1404 L CB -0.880 41.282 42.059 0.171 0.000 1.047 1404 L HN 0.221 nan 8.230 nan 0.000 0.468 1405 G N 1.257 110.082 108.800 0.042 0.000 2.838 1405 G HA2 -0.244 3.713 3.960 -0.005 0.000 0.215 1405 G HA3 -0.244 3.713 3.960 -0.005 0.000 0.215 1405 G C 1.381 176.286 174.900 0.009 0.000 1.327 1405 G CA 1.078 46.186 45.100 0.014 0.000 0.802 1405 G HN 0.411 nan 8.290 nan 0.000 0.658 1406 G N 0.414 109.207 108.800 -0.011 0.000 4.033 1406 G HA2 -0.253 3.703 3.960 -0.005 0.000 0.243 1406 G HA3 -0.253 3.703 3.960 -0.005 0.000 0.243 1406 G C 1.291 176.195 174.900 0.006 0.000 0.867 1406 G CA 3.281 48.375 45.100 -0.010 0.000 0.718 1406 G HN 1.409 nan 8.290 nan 0.000 1.461 1407 T N -2.193 112.371 114.554 0.016 0.000 2.663 1407 T HA 0.298 4.645 4.350 -0.005 0.000 0.325 1407 T C 0.571 175.287 174.700 0.028 0.000 1.059 1407 T CA 0.941 63.054 62.100 0.023 0.000 1.039 1407 T CB 0.823 69.710 68.868 0.031 0.000 0.996 1407 T HN 0.379 nan 8.240 nan 0.000 0.539 1408 D N -1.602 118.814 120.400 0.027 0.000 2.489 1408 D HA 0.075 4.712 4.640 -0.005 0.000 0.231 1408 D C 0.132 176.451 176.300 0.031 0.000 1.114 1408 D CA -0.198 53.818 54.000 0.027 0.000 0.842 1408 D CB 0.043 40.855 40.800 0.020 0.000 1.133 1408 D HN 0.655 nan 8.370 nan 0.000 0.506 1409 D N 2.568 122.988 120.400 0.033 0.000 2.455 1409 D HA -0.063 4.573 4.640 -0.005 0.000 0.265 1409 D C 1.468 177.795 176.300 0.045 0.000 1.284 1409 D CA 0.426 54.447 54.000 0.036 0.000 0.944 1409 D CB 0.999 41.822 40.800 0.038 0.000 1.121 1409 D HN 0.085 nan 8.370 nan 0.000 0.525 1410 T N 0.433 115.010 114.554 0.040 0.000 2.897 1410 T HA -0.144 4.203 4.350 -0.005 0.000 0.271 1410 T C 1.925 176.658 174.700 0.055 0.000 1.084 1410 T CA 0.825 62.950 62.100 0.042 0.000 1.123 1410 T CB -0.090 68.796 68.868 0.031 0.000 0.865 1410 T HN 0.247 nan 8.240 nan 0.000 0.496 1411 V N 1.176 121.124 119.914 0.056 0.000 2.488 1411 V HA -0.037 4.080 4.120 -0.005 0.000 0.246 1411 V C 2.754 178.899 176.094 0.085 0.000 1.046 1411 V CA 1.379 63.720 62.300 0.067 0.000 1.053 1411 V CB -0.483 31.374 31.823 0.056 0.000 0.679 1411 V HN 0.480 nan 8.190 nan 0.000 0.458 1412 K N 0.315 120.761 120.400 0.078 0.000 2.031 1412 K HA -0.119 4.198 4.320 -0.005 0.000 0.205 1412 K C 2.250 178.922 176.600 0.119 0.000 1.049 1412 K CA 1.211 57.552 56.287 0.090 0.000 0.939 1412 K CB -0.207 32.336 32.500 0.071 0.000 0.717 1412 K HN 0.374 nan 8.250 nan 0.000 0.438 1413 K N 1.134 121.600 120.400 0.110 0.000 2.113 1413 K HA -0.197 4.120 4.320 -0.005 0.000 0.208 1413 K C 2.163 178.880 176.600 0.195 0.000 1.047 1413 K CA 1.177 57.547 56.287 0.138 0.000 0.928 1413 K CB -0.049 32.509 32.500 0.097 0.000 0.716 1413 K HN 0.028 nan 8.250 nan 0.000 0.446 1414 K N 1.552 122.051 120.400 0.165 0.000 2.057 1414 K HA -0.178 4.139 4.320 -0.005 0.000 0.206 1414 K C 1.277 178.050 176.600 0.289 0.000 1.050 1414 K CA 1.692 58.108 56.287 0.214 0.000 0.935 1414 K CB -0.071 32.518 32.500 0.148 0.000 0.715 1414 K HN 0.111 nan 8.250 nan 0.000 0.439 1415 D N 1.148 121.677 120.400 0.214 0.000 2.097 1415 D HA -0.132 4.505 4.640 -0.005 0.000 0.197 1415 D C 2.122 178.555 176.300 0.221 0.000 0.984 1415 D CA 0.934 55.055 54.000 0.202 0.000 0.826 1415 D CB -0.107 40.782 40.800 0.150 0.000 0.973 1415 D HN 0.229 nan 8.370 nan 0.000 0.460 1416 L N 0.001 121.361 121.223 0.227 0.000 2.275 1416 L HA -0.128 4.209 4.340 -0.005 0.000 0.215 1416 L C 2.326 179.370 176.870 0.290 0.000 1.119 1416 L CA 0.399 55.395 54.840 0.259 0.000 0.790 1416 L CB -0.298 41.904 42.059 0.239 0.000 0.919 1416 L HN -0.038 nan 8.230 nan 0.000 0.443 1417 F N 0.594 120.631 119.950 0.145 0.000 2.206 1417 F HA -0.122 4.401 4.527 -0.006 0.000 0.298 1417 F C 2.073 177.917 175.800 0.073 0.000 1.090 1417 F CA 1.269 59.331 58.000 0.103 0.000 1.323 1417 F CB -0.048 39.024 39.000 0.120 0.000 1.028 1417 F HN -0.124 nan 8.300 nan 0.000 0.492 1418 L N -0.247 121.051 121.223 0.126 0.000 2.217 1418 L HA -0.149 4.188 4.340 -0.005 0.000 0.211 1418 L C 1.871 178.745 176.870 0.008 0.000 1.107 1418 L CA 0.917 55.810 54.840 0.089 0.000 0.783 1418 L CB -0.738 41.489 42.059 0.280 0.000 0.919 1418 L HN 0.045 nan 8.230 nan 0.000 0.442 1419 D N 0.231 120.668 120.400 0.063 0.000 2.149 1419 D HA -0.159 4.478 4.640 -0.005 0.000 0.201 1419 D C 2.196 178.480 176.300 -0.027 0.000 0.972 1419 D CA 0.891 54.958 54.000 0.111 0.000 0.835 1419 D CB -0.025 40.925 40.800 0.250 0.000 0.966 1419 D HN 0.233 nan 8.370 nan 0.000 0.476 1420 L N 0.489 121.531 121.223 -0.302 0.000 2.012 1420 L HA -0.171 4.166 4.340 -0.005 0.000 0.210 1420 L C 2.233 178.758 176.870 -0.574 0.000 1.073 1420 L CA 1.207 55.575 54.840 -0.787 0.000 0.748 1420 L CB -0.159 41.366 42.059 -0.889 0.000 0.891 1420 L HN -0.034 nan 8.230 nan 0.000 0.431 1421 I N -0.011 120.177 120.570 -0.636 0.000 2.179 1421 I HA -0.281 3.885 4.170 -0.005 0.000 0.242 1421 I C 2.803 178.614 176.117 -0.511 0.000 1.088 1421 I CA 1.156 62.020 61.300 -0.728 0.000 1.357 1421 I CB -0.615 36.670 38.000 -1.191 0.000 1.051 1421 I HN 0.348 nan 8.210 nan 0.000 0.409 1422 A N 0.530 123.195 122.820 -0.259 0.000 1.908 1422 A HA -0.258 4.059 4.320 -0.005 0.000 0.218 1422 A C 1.932 179.534 177.584 0.030 0.000 1.181 1422 A CA 2.223 54.300 52.037 0.068 0.000 0.627 1422 A CB -0.631 18.480 19.000 0.185 0.000 0.818 1422 A HN 0.352 nan 8.150 nan 0.000 0.445 1423 D N -0.440 119.922 120.400 -0.064 0.000 2.117 1423 D HA -0.089 4.548 4.640 -0.005 0.000 0.197 1423 D C 2.025 178.154 176.300 -0.285 0.000 0.987 1423 D CA 1.445 55.413 54.000 -0.054 0.000 0.829 1423 D CB -0.313 40.566 40.800 0.131 0.000 0.961 1423 D HN 0.243 nan 8.370 nan 0.000 0.460 1424 V N 0.537 120.126 119.914 -0.542 0.000 2.453 1424 V HA -0.153 3.964 4.120 -0.005 0.000 0.247 1424 V C 2.339 178.146 176.094 -0.478 0.000 1.048 1424 V CA 1.163 63.055 62.300 -0.681 0.000 1.049 1424 V CB -0.319 31.000 31.823 -0.840 0.000 0.672 1424 V HN 0.203 nan 8.190 nan 0.000 0.457 1425 M N -1.687 117.612 119.600 -0.502 0.000 2.287 1425 M HA 0.083 4.560 4.480 -0.005 0.000 0.266 1425 M C 1.812 177.612 176.300 -0.833 0.000 1.079 1425 M CA 2.008 56.875 55.300 -0.721 0.000 1.146 1425 M CB -0.090 31.931 32.600 -0.965 0.000 1.374 1425 M HN 0.343 nan 8.290 nan 0.000 0.435 1426 F N -1.404 118.479 119.950 -0.112 0.000 2.463 1426 F HA 0.348 4.872 4.527 -0.005 0.000 0.271 1426 F C 2.448 178.206 175.800 -0.069 0.000 0.888 1426 F CA 0.225 58.189 58.000 -0.059 0.000 1.149 1426 F CB -1.253 37.752 39.000 0.008 0.000 1.071 1426 F HN 0.033 nan 8.300 nan 0.000 0.802 1427 G N 1.010 109.900 108.800 0.150 0.000 2.586 1427 G HA2 -0.252 3.705 3.960 -0.005 0.000 0.218 1427 G HA3 -0.252 3.705 3.960 -0.005 0.000 0.218 1427 G C 1.695 176.603 174.900 0.013 0.000 1.216 1427 G CA 1.939 47.076 45.100 0.063 0.000 0.786 1427 G HN 0.181 nan 8.290 nan 0.000 0.583 1428 V N 2.185 122.100 119.914 0.001 0.000 2.295 1428 V HA -0.099 4.018 4.120 -0.005 0.000 0.246 1428 V C 0.420 176.509 176.094 -0.008 0.000 1.049 1428 V CA 2.298 64.610 62.300 0.020 0.000 1.024 1428 V CB -1.069 30.771 31.823 0.029 0.000 0.648 1428 V HN 0.296 nan 8.190 nan 0.000 0.447 1429 P HA -0.115 nan 4.420 nan 0.000 0.215 1429 P C 2.019 179.291 177.300 -0.047 0.000 1.153 1429 P CA 1.805 64.873 63.100 -0.054 0.000 0.853 1429 P CB -0.073 31.567 31.700 -0.101 0.000 0.788 1430 S N -0.798 114.871 115.700 -0.052 0.000 2.356 1430 S HA -0.114 4.353 4.470 -0.005 0.000 0.223 1430 S C 2.005 176.513 174.600 -0.153 0.000 1.032 1430 S CA 1.289 59.426 58.200 -0.104 0.000 1.005 1430 S CB -1.246 61.887 63.200 -0.111 0.000 0.867 1430 S HN -0.048 nan 8.310 nan 0.000 0.449 1431 V N 2.029 121.870 119.914 -0.121 0.000 2.407 1431 V HA -0.145 3.971 4.120 -0.005 0.000 0.248 1431 V C 2.023 178.093 176.094 -0.040 0.000 1.055 1431 V CA 1.417 63.644 62.300 -0.122 0.000 1.049 1431 V CB -0.663 31.134 31.823 -0.044 0.000 0.662 1431 V HN 0.443 nan 8.190 nan 0.000 0.455 1432 I N -0.555 120.013 120.570 -0.002 0.000 2.179 1432 I HA -0.204 3.963 4.170 -0.005 0.000 0.242 1432 I C 2.396 178.531 176.117 0.031 0.000 1.088 1432 I CA 1.209 62.530 61.300 0.034 0.000 1.357 1432 I CB -0.427 37.596 38.000 0.038 0.000 1.051 1432 I HN 0.135 nan 8.210 nan 0.000 0.409 1433 V N 1.074 120.988 119.914 -0.001 0.000 2.343 1433 V HA -0.311 3.805 4.120 -0.005 0.000 0.247 1433 V C 2.717 178.826 176.094 0.025 0.000 1.051 1433 V CA 2.066 64.381 62.300 0.025 0.000 1.036 1433 V CB -0.937 30.889 31.823 0.005 0.000 0.654 1433 V HN 0.504 nan 8.190 nan 0.000 0.451 1434 A N -0.183 122.575 122.820 -0.103 0.000 1.902 1434 A HA -0.228 4.089 4.320 -0.005 0.000 0.217 1434 A C 2.358 180.009 177.584 0.112 0.000 1.181 1434 A CA 1.832 53.776 52.037 -0.154 0.000 0.623 1434 A CB -0.484 18.196 19.000 -0.532 0.000 0.818 1434 A HN 0.515 nan 8.150 nan 0.000 0.443 1435 R N -0.510 120.094 120.500 0.173 0.000 2.081 1435 R HA -0.125 4.211 4.340 -0.005 0.000 0.235 1435 R C 1.977 178.380 176.300 0.170 0.000 1.131 1435 R CA 1.728 57.982 56.100 0.256 0.000 0.960 1435 R CB -0.427 29.993 30.300 0.199 0.000 0.856 1435 R HN 0.657 nan 8.270 nan 0.000 0.436 1436 N N -0.493 118.291 118.700 0.141 0.000 2.188 1436 N HA -0.168 4.569 4.740 -0.005 0.000 0.184 1436 N C 1.774 177.370 175.510 0.143 0.000 1.018 1436 N CA 0.819 53.941 53.050 0.120 0.000 0.858 1436 N CB -0.115 38.435 38.487 0.106 0.000 0.989 1436 N HN 0.275 nan 8.380 nan 0.000 0.426 1437 H N 1.317 120.454 119.070 0.112 0.000 2.321 1437 H HA -0.057 4.496 4.556 -0.005 0.000 0.300 1437 H C 2.250 177.644 175.328 0.110 0.000 1.087 1437 H CA 1.405 57.537 56.048 0.140 0.000 1.319 1437 H CB 0.115 30.002 29.762 0.209 0.000 1.379 1437 H HN 0.135 nan 8.280 nan 0.000 0.501 1438 R N 0.505 121.124 120.500 0.198 0.000 2.094 1438 R HA -0.142 4.195 4.340 -0.005 0.000 0.239 1438 R C 1.497 177.809 176.300 0.021 0.000 1.137 1438 R CA 2.147 58.320 56.100 0.122 0.000 0.943 1438 R CB -0.190 30.223 30.300 0.188 0.000 0.850 1438 R HN 0.316 nan 8.270 nan 0.000 0.433 1439 D N 0.137 120.559 120.400 0.037 0.000 2.309 1439 D HA -0.087 4.550 4.640 -0.005 0.000 0.212 1439 D C 1.376 177.664 176.300 -0.020 0.000 0.968 1439 D CA 1.159 55.165 54.000 0.010 0.000 0.882 1439 D CB 0.001 40.817 40.800 0.028 0.000 0.918 1439 D HN 0.440 nan 8.370 nan 0.000 0.503 1440 A N -0.412 122.375 122.820 -0.054 0.000 2.169 1440 A HA 0.395 4.712 4.320 -0.005 0.000 0.212 1440 A C 1.930 179.444 177.584 -0.116 0.000 1.153 1440 A CA 1.293 53.281 52.037 -0.082 0.000 0.756 1440 A CB 0.034 18.969 19.000 -0.108 0.000 0.813 1440 A HN 0.274 nan 8.150 nan 0.000 0.471 1441 G N -2.059 106.668 108.800 -0.121 0.000 2.259 1441 G HA2 0.122 4.079 3.960 -0.005 0.000 0.217 1441 G HA3 0.122 4.079 3.960 -0.005 0.000 0.217 1441 G C 0.540 175.372 174.900 -0.113 0.000 1.001 1441 G CA 0.183 45.222 45.100 -0.101 0.000 0.627 1441 G HN 1.505 nan 8.290 nan 0.000 0.501 1442 A N 0.935 123.636 122.820 -0.199 0.000 2.271 1442 A HA 0.771 5.088 4.320 -0.005 0.000 0.288 1442 A C -2.203 175.405 177.584 0.041 0.000 1.094 1442 A CA -1.003 50.974 52.037 -0.101 0.000 0.828 1442 A CB 0.278 19.210 19.000 -0.113 0.000 1.091 1442 A HN 0.146 nan 8.150 nan 0.000 0.493 1443 P HA 0.237 nan 4.420 nan 0.000 0.267 1443 P C -0.661 176.787 177.300 0.246 0.000 1.205 1443 P CA 0.634 63.819 63.100 0.141 0.000 0.765 1443 P CB 0.684 32.511 31.700 0.211 0.000 0.828 1444 T N 3.172 117.732 114.554 0.010 0.000 2.886 1444 T HA 0.544 4.890 4.350 -0.005 0.000 0.292 1444 T C -1.053 173.440 174.700 -0.346 0.000 1.012 1444 T CA -0.289 61.827 62.100 0.028 0.000 0.982 1444 T CB 0.707 69.706 68.868 0.219 0.000 1.018 1444 T HN 0.122 nan 8.240 nan 0.000 0.451 1445 Y N 1.259 121.515 120.300 -0.073 0.000 2.477 1445 Y HA 0.703 5.250 4.550 -0.005 0.000 0.347 1445 Y C -0.023 175.846 175.900 -0.053 0.000 0.981 1445 Y CA -1.144 56.898 58.100 -0.097 0.000 1.033 1445 Y CB 2.100 40.213 38.460 -0.579 0.000 1.245 1445 Y HN 0.372 nan 8.280 nan 0.000 0.455 1446 M N 3.267 123.102 119.600 0.391 0.000 2.572 1446 M HA 0.510 4.987 4.480 -0.005 0.000 0.299 1446 M C -1.578 175.009 176.300 0.478 0.000 1.205 1446 M CA -0.982 54.424 55.300 0.178 0.000 0.876 1446 M CB 3.092 35.576 32.600 -0.193 0.000 1.728 1446 M HN 0.778 nan 8.290 nan 0.000 0.458 1447 Y N -1.229 119.210 120.300 0.231 0.000 2.615 1447 Y HA 0.761 5.308 4.550 -0.006 0.000 0.341 1447 Y C -1.547 174.454 175.900 0.169 0.000 1.089 1447 Y CA -0.988 57.199 58.100 0.144 0.000 1.049 1447 Y CB 1.601 40.078 38.460 0.029 0.000 1.296 1447 Y HN 0.696 nan 8.280 nan 0.000 0.470 1448 E N 2.357 122.825 120.200 0.448 0.000 2.265 1448 E HA 0.323 4.669 4.350 -0.005 0.000 0.262 1448 E C -2.262 174.613 176.600 0.460 0.000 0.889 1448 E CA -0.789 55.820 56.400 0.348 0.000 0.789 1448 E CB 1.308 31.171 29.700 0.272 0.000 1.221 1448 E HN 0.633 nan 8.360 nan 0.000 0.414 1449 F N 3.762 123.936 119.950 0.373 0.000 2.411 1449 F HA 0.266 4.789 4.527 -0.006 0.000 0.350 1449 F C -0.333 175.585 175.800 0.197 0.000 1.114 1449 F CA -0.104 58.056 58.000 0.268 0.000 1.135 1449 F CB 1.169 40.344 39.000 0.292 0.000 1.120 1449 F HN 0.456 nan 8.300 nan 0.000 0.495 1450 Q N 7.044 126.622 119.800 -0.371 0.000 2.533 1450 Q HA 0.301 4.638 4.340 -0.005 0.000 0.251 1450 Q C -2.319 173.508 176.000 -0.289 0.000 0.966 1450 Q CA -0.596 55.086 55.803 -0.203 0.000 0.714 1450 Q CB 1.032 29.737 28.738 -0.055 0.000 1.284 1450 Q HN 0.796 nan 8.270 nan 0.000 0.478 1451 Y N 1.036 121.086 120.300 -0.417 0.000 2.604 1451 Y HA 0.381 4.929 4.550 -0.005 0.000 0.331 1451 Y C -1.990 173.888 175.900 -0.037 0.000 1.158 1451 Y CA -0.867 57.067 58.100 -0.277 0.000 1.056 1451 Y CB 1.538 39.736 38.460 -0.438 0.000 1.330 1451 Y HN 0.549 nan 8.280 nan 0.000 0.457 1452 R N 5.638 125.703 120.500 -0.726 0.000 2.275 1452 R HA 0.523 4.860 4.340 -0.005 0.000 0.326 1452 R C -2.879 173.118 176.300 -0.506 0.000 0.973 1452 R CA -1.872 53.971 56.100 -0.428 0.000 0.854 1452 R CB 1.008 31.086 30.300 -0.371 0.000 1.156 1452 R HN 0.358 nan 8.270 nan 0.000 0.487 1453 P HA -0.004 nan 4.420 nan 0.000 0.268 1453 P C 0.207 177.279 177.300 -0.380 0.000 1.205 1453 P CA -0.003 63.038 63.100 -0.099 0.000 0.771 1453 P CB 1.245 32.950 31.700 0.009 0.000 0.858 1454 S N 1.090 116.420 115.700 -0.617 0.000 2.481 1454 S HA -0.083 4.384 4.470 -0.005 0.000 0.231 1454 S C 1.223 175.428 174.600 -0.658 0.000 0.996 1454 S CA 0.636 58.457 58.200 -0.632 0.000 0.942 1454 S CB -1.147 61.639 63.200 -0.691 0.000 0.768 1454 S HN 0.366 nan 8.310 nan 0.000 0.520 1455 F N 2.571 122.267 119.950 -0.425 0.000 2.811 1455 F HA 0.279 4.803 4.527 -0.006 0.000 0.301 1455 F C 1.344 176.875 175.800 -0.447 0.000 1.151 1455 F CA -0.424 57.249 58.000 -0.545 0.000 1.412 1455 F CB -0.505 37.849 39.000 -1.077 0.000 1.113 1455 F HN 0.035 nan 8.300 nan 0.000 0.579 1456 S N 0.064 115.618 115.700 -0.242 0.000 2.569 1456 S HA -0.003 4.464 4.470 -0.005 0.000 0.274 1456 S C 0.561 175.101 174.600 -0.100 0.000 1.353 1456 S CA -0.578 57.546 58.200 -0.127 0.000 1.023 1456 S CB 0.796 63.886 63.200 -0.183 0.000 0.876 1456 S HN 0.264 nan 8.310 nan 0.000 0.540 1457 S N 0.350 116.002 115.700 -0.079 0.000 2.572 1457 S HA 0.019 4.486 4.470 -0.005 0.000 0.279 1457 S C 0.813 175.311 174.600 -0.170 0.000 1.341 1457 S CA -0.611 57.553 58.200 -0.059 0.000 1.043 1457 S CB 0.176 63.414 63.200 0.065 0.000 0.887 1457 S HN 0.613 nan 8.310 nan 0.000 0.516 1458 D N 3.655 124.002 120.400 -0.089 0.000 2.219 1458 D HA -0.088 4.548 4.640 -0.005 0.000 0.205 1458 D C 1.529 177.757 176.300 -0.119 0.000 0.970 1458 D CA 1.324 55.264 54.000 -0.101 0.000 0.851 1458 D CB -0.061 40.710 40.800 -0.048 0.000 0.943 1458 D HN 0.636 nan 8.370 nan 0.000 0.488 1459 M N 0.153 119.706 119.600 -0.078 0.000 2.619 1459 M HA -0.027 4.450 4.480 -0.005 0.000 0.251 1459 M C 0.993 177.134 176.300 -0.264 0.000 1.106 1459 M CA 0.429 55.728 55.300 -0.001 0.000 1.086 1459 M CB 0.157 32.920 32.600 0.271 0.000 1.465 1459 M HN -0.256 nan 8.290 nan 0.000 0.506 1460 K N 3.264 123.215 120.400 -0.749 0.000 2.285 1460 K HA 0.221 4.538 4.320 -0.005 0.000 0.286 1460 K C -2.277 173.945 176.600 -0.630 0.000 1.072 1460 K CA -1.788 53.703 56.287 -1.326 0.000 0.913 1460 K CB 0.798 32.416 32.500 -1.471 0.000 1.067 1460 K HN -0.094 nan 8.250 nan 0.000 0.479 1461 P HA -0.008 nan 4.420 nan 0.000 0.268 1461 P C -0.545 176.625 177.300 -0.216 0.000 1.204 1461 P CA 0.077 63.036 63.100 -0.234 0.000 0.768 1461 P CB 0.824 32.450 31.700 -0.122 0.000 0.842 1462 K N 0.997 121.298 120.400 -0.166 0.000 2.362 1462 K HA -0.112 4.205 4.320 -0.005 0.000 0.202 1462 K C 1.688 178.214 176.600 -0.124 0.000 1.045 1462 K CA 1.923 58.118 56.287 -0.153 0.000 0.936 1462 K CB -0.606 31.817 32.500 -0.128 0.000 0.747 1462 K HN 0.629 nan 8.250 nan 0.000 0.467 1463 T N -1.889 112.610 114.554 -0.091 0.000 3.085 1463 T HA 0.040 4.387 4.350 -0.005 0.000 0.263 1463 T C 0.779 175.454 174.700 -0.041 0.000 1.127 1463 T CA -0.132 61.934 62.100 -0.056 0.000 1.103 1463 T CB -0.098 68.756 68.868 -0.023 0.000 0.921 1463 T HN -0.186 nan 8.240 nan 0.000 0.510 1464 V N 2.598 122.476 119.914 -0.060 0.000 2.427 1464 V HA 0.388 4.504 4.120 -0.005 0.000 0.268 1464 V C 0.072 176.150 176.094 -0.025 0.000 1.046 1464 V CA -0.475 61.816 62.300 -0.015 0.000 0.970 1464 V CB 0.195 32.007 31.823 -0.019 0.000 1.001 1464 V HN 0.455 nan 8.190 nan 0.000 0.476 1465 I N 3.760 124.337 120.570 0.012 0.000 2.466 1465 I HA 0.597 4.764 4.170 -0.005 0.000 0.289 1465 I C 0.881 177.042 176.117 0.073 0.000 1.026 1465 I CA -0.499 60.800 61.300 -0.002 0.000 1.078 1465 I CB 1.812 39.789 38.000 -0.038 0.000 1.249 1465 I HN 0.798 nan 8.210 nan 0.000 0.429 1466 G N 3.698 112.572 108.800 0.123 0.000 2.256 1466 G HA2 -0.231 3.726 3.960 -0.005 0.000 0.272 1466 G HA3 -0.231 3.726 3.960 -0.005 0.000 0.272 1466 G C -0.250 174.796 174.900 0.243 0.000 1.076 1466 G CA -0.014 45.226 45.100 0.233 0.000 0.882 1466 G HN 0.720 nan 8.290 nan 0.000 0.497 1467 D N -0.781 119.763 120.400 0.241 0.000 2.371 1467 D HA 0.358 4.995 4.640 -0.005 0.000 0.242 1467 D C 0.943 177.409 176.300 0.277 0.000 1.218 1467 D CA -0.469 53.687 54.000 0.259 0.000 0.945 1467 D CB 0.367 41.342 40.800 0.291 0.000 1.137 1467 D HN 0.380 nan 8.370 nan 0.000 0.464 1468 H N -0.297 118.865 119.070 0.154 0.000 3.125 1468 H HA 0.280 4.833 4.556 -0.006 0.000 0.310 1468 H C 1.357 176.803 175.328 0.197 0.000 0.980 1468 H CA 1.855 57.959 56.048 0.093 0.000 1.422 1468 H CB 0.086 29.883 29.762 0.058 0.000 1.432 1468 H HN 0.582 nan 8.280 nan 0.000 0.577 1469 G N 4.250 112.858 108.800 -0.319 0.000 2.179 1469 G HA2 -0.336 3.620 3.960 -0.005 0.000 0.260 1469 G HA3 -0.336 3.620 3.960 -0.005 0.000 0.260 1469 G C 1.184 175.991 174.900 -0.155 0.000 0.977 1469 G CA 0.507 45.369 45.100 -0.397 0.000 0.641 1469 G HN 0.661 nan 8.290 nan 0.000 0.533 1470 D N 0.886 121.359 120.400 0.122 0.000 2.218 1470 D HA -0.044 4.593 4.640 -0.005 0.000 0.204 1470 D C 2.428 178.819 176.300 0.152 0.000 0.976 1470 D CA 1.345 55.556 54.000 0.351 0.000 0.853 1470 D CB -0.052 41.046 40.800 0.497 0.000 0.939 1470 D HN 0.729 nan 8.370 nan 0.000 0.481 1471 E N 1.254 121.215 120.200 -0.398 0.000 2.274 1471 E HA -0.131 4.215 4.350 -0.005 0.000 0.194 1471 E C 2.214 178.496 176.600 -0.531 0.000 0.996 1471 E CA 0.247 56.019 56.400 -1.047 0.000 0.840 1471 E CB -0.706 28.295 29.700 -1.165 0.000 0.772 1471 E HN 0.315 nan 8.360 nan 0.000 0.491 1472 L N -0.126 120.852 121.223 -0.409 0.000 2.043 1472 L HA -0.177 4.160 4.340 -0.005 0.000 0.212 1472 L C 2.632 179.286 176.870 -0.360 0.000 1.075 1472 L CA 1.707 56.303 54.840 -0.405 0.000 0.752 1472 L CB -0.701 40.988 42.059 -0.618 0.000 0.891 1472 L HN 0.022 nan 8.230 nan 0.000 0.432 1473 F N -0.495 119.401 119.950 -0.090 0.000 2.216 1473 F HA -0.202 4.323 4.527 -0.003 0.000 0.300 1473 F C 2.641 178.404 175.800 -0.062 0.000 1.085 1473 F CA 1.300 59.265 58.000 -0.058 0.000 1.326 1473 F CB -0.466 38.614 39.000 0.132 0.000 1.027 1473 F HN -0.004 nan 8.300 nan 0.000 0.497 1474 S N -0.236 115.485 115.700 0.034 0.000 2.362 1474 S HA -0.093 4.374 4.470 -0.005 0.000 0.221 1474 S C 2.275 176.726 174.600 -0.248 0.000 1.032 1474 S CA 0.923 59.079 58.200 -0.073 0.000 0.973 1474 S CB -0.508 62.628 63.200 -0.108 0.000 0.849 1474 S HN 0.102 nan 8.310 nan 0.000 0.465 1475 V N 0.875 120.519 119.914 -0.450 0.000 2.332 1475 V HA -0.143 3.973 4.120 -0.005 0.000 0.248 1475 V C 1.428 177.181 176.094 -0.569 0.000 1.055 1475 V CA 1.669 63.568 62.300 -0.669 0.000 1.038 1475 V CB -0.671 30.695 31.823 -0.762 0.000 0.651 1475 V HN 0.455 nan 8.190 nan 0.000 0.450 1476 F N 0.256 120.017 119.950 -0.315 0.000 2.645 1476 F HA 0.453 4.977 4.527 -0.005 0.000 0.300 1476 F C 1.637 177.339 175.800 -0.163 0.000 1.115 1476 F CA 0.444 58.288 58.000 -0.259 0.000 1.355 1476 F CB -0.220 38.579 39.000 -0.335 0.000 1.026 1476 F HN 0.237 nan 8.300 nan 0.000 0.536 1477 G N 1.007 109.810 108.800 0.006 0.000 2.366 1477 G HA2 -0.295 3.662 3.960 -0.005 0.000 0.299 1477 G HA3 -0.295 3.662 3.960 -0.005 0.000 0.299 1477 G C 1.244 176.204 174.900 0.100 0.000 1.020 1477 G CA 0.326 45.511 45.100 0.142 0.000 1.026 1477 G HN 0.577 nan 8.290 nan 0.000 0.512 1478 A N 0.134 122.935 122.820 -0.032 0.000 1.940 1478 A HA 0.104 4.421 4.320 -0.005 0.000 0.219 1478 A C 0.621 178.073 177.584 -0.220 0.000 1.176 1478 A CA 2.048 53.945 52.037 -0.234 0.000 0.631 1478 A CB -0.691 17.985 19.000 -0.540 0.000 0.814 1478 A HN 0.479 nan 8.150 nan 0.000 0.446 1479 P HA -0.081 nan 4.420 nan 0.000 0.228 1479 P C 0.418 177.429 177.300 -0.481 0.000 1.151 1479 P CA 0.901 63.873 63.100 -0.214 0.000 0.770 1479 P CB -0.136 31.314 31.700 -0.416 0.000 0.786 1480 F N -2.797 117.169 119.950 0.027 0.000 2.704 1480 F HA 0.225 4.750 4.527 -0.004 0.000 0.304 1480 F C 1.753 177.585 175.800 0.053 0.000 1.094 1480 F CA 0.183 58.214 58.000 0.051 0.000 1.275 1480 F CB -0.049 38.962 39.000 0.018 0.000 1.073 1480 F HN -0.204 nan 8.300 nan 0.000 0.586 1481 L N -1.098 120.196 121.223 0.119 0.000 2.577 1481 L HA 0.203 4.540 4.340 -0.005 0.000 0.225 1481 L C 0.791 177.682 176.870 0.035 0.000 1.053 1481 L CA 0.255 55.140 54.840 0.074 0.000 0.866 1481 L CB 0.030 42.105 42.059 0.028 0.000 1.132 1481 L HN -0.184 nan 8.230 nan 0.000 0.486 1482 K N 0.862 121.261 120.400 -0.001 0.000 2.098 1482 K HA 0.258 4.574 4.320 -0.005 0.000 0.244 1482 K C -0.310 176.341 176.600 0.085 0.000 1.014 1482 K CA -0.459 55.850 56.287 0.036 0.000 0.917 1482 K CB 1.093 33.612 32.500 0.031 0.000 1.072 1482 K HN -0.061 nan 8.250 nan 0.000 0.477 1483 E N -0.172 120.082 120.200 0.091 0.000 2.283 1483 E HA 0.125 4.472 4.350 -0.005 0.000 0.278 1483 E C 0.181 176.818 176.600 0.062 0.000 1.027 1483 E CA 0.021 56.463 56.400 0.070 0.000 0.843 1483 E CB 0.872 30.602 29.700 0.050 0.000 1.062 1483 E HN 0.768 nan 8.360 nan 0.000 0.401 1484 G N 2.898 111.720 108.800 0.037 0.000 2.361 1484 G HA2 -0.325 3.631 3.960 -0.005 0.000 0.294 1484 G HA3 -0.325 3.631 3.960 -0.005 0.000 0.294 1484 G C 0.392 175.280 174.900 -0.021 0.000 1.004 1484 G CA 0.355 45.459 45.100 0.008 0.000 0.870 1484 G HN 0.707 nan 8.290 nan 0.000 0.510 1485 A N -0.120 122.695 122.820 -0.008 0.000 2.492 1485 A HA 0.606 4.923 4.320 -0.005 0.000 0.236 1485 A C 1.328 178.857 177.584 -0.092 0.000 1.078 1485 A CA 0.829 52.819 52.037 -0.077 0.000 0.773 1485 A CB 0.155 19.165 19.000 0.017 0.000 1.023 1485 A HN 2.117 nan 8.150 nan 0.000 0.504 1486 S N -0.047 115.582 115.700 -0.119 0.000 2.584 1486 S HA 0.130 4.597 4.470 -0.005 0.000 0.270 1486 S C 0.818 175.384 174.600 -0.056 0.000 1.346 1486 S CA 0.508 58.663 58.200 -0.075 0.000 1.018 1486 S CB 0.885 64.046 63.200 -0.064 0.000 0.899 1486 S HN 0.750 nan 8.310 nan 0.000 0.542 1487 E N 0.839 121.018 120.200 -0.036 0.000 2.110 1487 E HA -0.185 4.162 4.350 -0.005 0.000 0.193 1487 E C 1.916 178.500 176.600 -0.026 0.000 0.988 1487 E CA 1.874 58.259 56.400 -0.025 0.000 0.804 1487 E CB -0.325 29.369 29.700 -0.010 0.000 0.745 1487 E HN 0.897 nan 8.360 nan 0.000 0.458 1488 E N 0.064 120.254 120.200 -0.016 0.000 2.106 1488 E HA -0.233 4.114 4.350 -0.005 0.000 0.192 1488 E C 1.923 178.484 176.600 -0.065 0.000 0.984 1488 E CA 1.199 57.589 56.400 -0.016 0.000 0.806 1488 E CB -0.086 29.635 29.700 0.036 0.000 0.750 1488 E HN 0.344 nan 8.360 nan 0.000 0.458 1489 E N 0.079 120.253 120.200 -0.043 0.000 2.152 1489 E HA -0.118 4.228 4.350 -0.005 0.000 0.192 1489 E C 2.082 178.615 176.600 -0.113 0.000 0.983 1489 E CA 0.805 57.158 56.400 -0.078 0.000 0.818 1489 E CB 0.048 29.742 29.700 -0.009 0.000 0.758 1489 E HN 0.364 nan 8.360 nan 0.000 0.467 1490 I N 0.434 120.927 120.570 -0.128 0.000 2.252 1490 I HA -0.244 3.923 4.170 -0.005 0.000 0.245 1490 I C 2.707 178.809 176.117 -0.025 0.000 1.102 1490 I CA 0.891 62.072 61.300 -0.197 0.000 1.385 1490 I CB -0.222 37.678 38.000 -0.167 0.000 1.064 1490 I HN 0.062 nan 8.210 nan 0.000 0.414 1491 R N 1.031 121.521 120.500 -0.017 0.000 2.081 1491 R HA -0.209 4.128 4.340 -0.005 0.000 0.235 1491 R C 2.362 178.650 176.300 -0.021 0.000 1.131 1491 R CA 1.435 57.540 56.100 0.007 0.000 0.960 1491 R CB -0.238 30.054 30.300 -0.012 0.000 0.856 1491 R HN 0.221 nan 8.270 nan 0.000 0.436 1492 L N 0.404 121.573 121.223 -0.090 0.000 2.017 1492 L HA -0.110 4.226 4.340 -0.005 0.000 0.208 1492 L C 2.304 179.144 176.870 -0.050 0.000 1.073 1492 L CA 2.207 56.975 54.840 -0.121 0.000 0.745 1492 L CB -0.844 41.027 42.059 -0.314 0.000 0.894 1492 L HN 0.170 nan 8.230 nan 0.000 0.432 1493 S N -0.864 114.823 115.700 -0.021 0.000 2.368 1493 S HA -0.217 4.250 4.470 -0.005 0.000 0.225 1493 S C 2.058 176.702 174.600 0.073 0.000 1.030 1493 S CA 1.517 59.736 58.200 0.032 0.000 0.999 1493 S CB -0.209 63.043 63.200 0.087 0.000 0.844 1493 S HN 0.538 nan 8.310 nan 0.000 0.459 1494 K N 0.520 121.014 120.400 0.156 0.000 2.032 1494 K HA -0.132 4.185 4.320 -0.005 0.000 0.209 1494 K C 2.342 178.934 176.600 -0.013 0.000 1.048 1494 K CA 1.796 58.138 56.287 0.091 0.000 0.927 1494 K CB -0.324 32.263 32.500 0.146 0.000 0.712 1494 K HN 0.460 nan 8.250 nan 0.000 0.441 1495 M N 0.903 120.481 119.600 -0.036 0.000 2.086 1495 M HA -0.173 4.304 4.480 -0.005 0.000 0.261 1495 M C 1.982 178.234 176.300 -0.081 0.000 1.067 1495 M CA 1.562 56.785 55.300 -0.129 0.000 1.116 1495 M CB 0.039 32.587 32.600 -0.086 0.000 1.348 1495 M HN -0.039 nan 8.290 nan 0.000 0.407 1496 V N 1.045 120.960 119.914 0.001 0.000 2.295 1496 V HA -0.318 3.798 4.120 -0.005 0.000 0.246 1496 V C 2.452 178.511 176.094 -0.059 0.000 1.049 1496 V CA 2.058 64.344 62.300 -0.023 0.000 1.024 1496 V CB -0.658 30.961 31.823 -0.341 0.000 0.648 1496 V HN 0.561 nan 8.190 nan 0.000 0.447 1497 M N -0.994 118.531 119.600 -0.126 0.000 2.149 1497 M HA -0.177 4.300 4.480 -0.005 0.000 0.261 1497 M C 2.370 178.706 176.300 0.060 0.000 1.064 1497 M CA 1.607 56.854 55.300 -0.088 0.000 1.102 1497 M CB -0.521 32.005 32.600 -0.122 0.000 1.369 1497 M HN 0.185 nan 8.290 nan 0.000 0.408 1498 K N 0.393 120.809 120.400 0.027 0.000 2.009 1498 K HA -0.100 4.217 4.320 -0.005 0.000 0.210 1498 K C 1.816 178.500 176.600 0.141 0.000 1.049 1498 K CA 1.726 58.021 56.287 0.014 0.000 0.929 1498 K CB -0.611 31.810 32.500 -0.133 0.000 0.714 1498 K HN 0.327 nan 8.250 nan 0.000 0.440 1499 F N -0.494 119.604 119.950 0.247 0.000 2.069 1499 F HA -0.256 4.268 4.527 -0.006 0.000 0.298 1499 F C 2.586 178.578 175.800 0.319 0.000 1.113 1499 F CA 0.784 58.980 58.000 0.327 0.000 1.214 1499 F CB -0.285 39.076 39.000 0.601 0.000 0.978 1499 F HN 0.236 nan 8.300 nan 0.000 0.474 1500 W N 0.052 121.461 121.300 0.181 0.000 2.335 1500 W HA -0.252 4.406 4.660 -0.004 0.000 0.311 1500 W C 2.606 179.136 176.519 0.018 0.000 1.213 1500 W CA 0.987 58.356 57.345 0.040 0.000 1.274 1500 W CB -0.591 28.825 29.460 -0.073 0.000 1.148 1500 W HN 0.002 nan 8.180 nan 0.000 0.498 1501 A N 0.370 123.326 122.820 0.227 0.000 1.930 1501 A HA -0.193 4.124 4.320 -0.005 0.000 0.217 1501 A C 1.693 179.322 177.584 0.075 0.000 1.175 1501 A CA 1.669 53.763 52.037 0.094 0.000 0.627 1501 A CB -0.917 18.121 19.000 0.062 0.000 0.815 1501 A HN 0.224 nan 8.150 nan 0.000 0.443 1502 N N -0.762 118.005 118.700 0.112 0.000 2.120 1502 N HA -0.140 4.597 4.740 -0.005 0.000 0.188 1502 N C 1.366 176.893 175.510 0.029 0.000 1.024 1502 N CA 1.418 54.511 53.050 0.071 0.000 0.852 1502 N CB -0.615 37.939 38.487 0.111 0.000 1.003 1502 N HN 0.503 nan 8.380 nan 0.000 0.424 1503 F N 1.614 121.493 119.950 -0.119 0.000 2.134 1503 F HA -0.096 4.428 4.527 -0.005 0.000 0.299 1503 F C 2.157 177.874 175.800 -0.139 0.000 1.097 1503 F CA 1.279 59.146 58.000 -0.222 0.000 1.264 1503 F CB -0.500 38.275 39.000 -0.374 0.000 1.001 1503 F HN 0.043 nan 8.300 nan 0.000 0.479 1504 A N 0.398 123.168 122.820 -0.084 0.000 1.902 1504 A HA -0.182 4.134 4.320 -0.005 0.000 0.217 1504 A C 2.374 179.869 177.584 -0.148 0.000 1.181 1504 A CA 1.735 53.692 52.037 -0.133 0.000 0.623 1504 A CB -0.660 18.305 19.000 -0.058 0.000 0.818 1504 A HN 0.442 nan 8.150 nan 0.000 0.443 1505 R N -0.664 119.775 120.500 -0.102 0.000 2.062 1505 R HA -0.036 4.301 4.340 -0.005 0.000 0.229 1505 R C 0.694 176.920 176.300 -0.122 0.000 1.128 1505 R CA 1.481 57.529 56.100 -0.086 0.000 0.960 1505 R CB -0.128 30.147 30.300 -0.042 0.000 0.855 1505 R HN 0.548 nan 8.270 nan 0.000 0.432 1506 N N -1.564 117.043 118.700 -0.154 0.000 2.159 1506 N HA 0.095 4.832 4.740 -0.005 0.000 0.217 1506 N C 0.595 175.969 175.510 -0.226 0.000 1.223 1506 N CA 0.783 53.744 53.050 -0.149 0.000 0.896 1506 N CB 1.776 40.216 38.487 -0.078 0.000 1.064 1506 N HN 0.321 nan 8.380 nan 0.000 0.518 1507 G N 1.534 110.051 108.800 -0.472 0.000 2.153 1507 G HA2 -0.277 3.679 3.960 -0.005 0.000 0.252 1507 G HA3 -0.277 3.679 3.960 -0.005 0.000 0.252 1507 G C -0.133 174.611 174.900 -0.259 0.000 0.994 1507 G CA 0.340 45.045 45.100 -0.659 0.000 0.698 1507 G HN 0.485 nan 8.290 nan 0.000 0.521 1508 N N -0.551 118.035 118.700 -0.190 0.000 2.425 1508 N HA 0.403 5.140 4.740 -0.005 0.000 0.289 1508 N C -1.752 173.635 175.510 -0.204 0.000 1.074 1508 N CA -1.416 51.528 53.050 -0.177 0.000 0.905 1508 N CB 2.343 40.821 38.487 -0.016 0.000 1.586 1508 N HN -0.055 nan 8.380 nan 0.000 0.490 1509 P HA -0.015 nan 4.420 nan 0.000 0.231 1509 P C -0.197 177.197 177.300 0.157 0.000 1.168 1509 P CA 0.363 63.346 63.100 -0.195 0.000 0.779 1509 P CB 0.385 31.638 31.700 -0.744 0.000 0.844 1510 N N 0.774 119.516 118.700 0.069 0.000 2.416 1510 N HA 0.284 5.021 4.740 -0.005 0.000 0.246 1510 N C 0.877 176.492 175.510 0.175 0.000 1.260 1510 N CA 1.115 54.302 53.050 0.230 0.000 0.897 1510 N CB 0.518 39.122 38.487 0.194 0.000 1.110 1510 N HN 0.142 nan 8.380 nan 0.000 0.439 1511 G N 0.274 109.178 108.800 0.174 0.000 2.466 1511 G HA2 0.225 4.182 3.960 -0.005 0.000 0.291 1511 G HA3 0.225 4.182 3.960 -0.005 0.000 0.291 1511 G C -1.510 173.437 174.900 0.078 0.000 1.460 1511 G CA -0.658 44.500 45.100 0.096 0.000 0.791 1511 G HN 0.321 nan 8.290 nan 0.000 0.505 1512 E N -0.208 120.023 120.200 0.051 0.000 2.415 1512 E HA 0.428 4.775 4.350 -0.005 0.000 0.263 1512 E C 1.204 177.814 176.600 0.017 0.000 0.995 1512 E CA 1.483 57.907 56.400 0.041 0.000 0.915 1512 E CB 0.841 30.558 29.700 0.029 0.000 0.951 1512 E HN 1.866 nan 8.360 nan 0.000 0.449 1513 G N 2.150 110.963 108.800 0.022 0.000 2.157 1513 G HA2 -0.255 3.701 3.960 -0.005 0.000 0.248 1513 G HA3 -0.255 3.701 3.960 -0.005 0.000 0.248 1513 G C -0.135 174.750 174.900 -0.025 0.000 0.979 1513 G CA -0.029 45.071 45.100 0.000 0.000 0.650 1513 G HN 0.336 nan 8.290 nan 0.000 0.529 1514 L N 0.268 121.487 121.223 -0.007 0.000 2.354 1514 L HA 0.560 4.897 4.340 -0.005 0.000 0.269 1514 L C -1.953 175.015 176.870 0.163 0.000 1.005 1514 L CA -2.420 52.392 54.840 -0.046 0.000 0.819 1514 L CB 1.878 43.780 42.059 -0.262 0.000 1.311 1514 L HN -0.144 nan 8.230 nan 0.000 0.423 1515 P HA -0.007 nan 4.420 nan 0.000 0.269 1515 P C -0.926 176.622 177.300 0.414 0.000 1.217 1515 P CA -0.134 63.142 63.100 0.294 0.000 0.783 1515 P CB 0.270 32.131 31.700 0.268 0.000 0.898 1516 H N 1.433 120.645 119.070 0.237 0.000 2.848 1516 H HA 0.173 4.726 4.556 -0.005 0.000 0.317 1516 H C -1.057 174.444 175.328 0.289 0.000 1.046 1516 H CA 0.052 56.253 56.048 0.256 0.000 1.470 1516 H CB 0.179 30.044 29.762 0.173 0.000 1.483 1516 H HN 0.342 nan 8.280 nan 0.000 0.548 1517 W N 10.049 131.086 121.300 -0.438 0.000 2.299 1517 W HA 0.315 4.972 4.660 -0.005 0.000 0.319 1517 W C -2.837 173.455 176.519 -0.378 0.000 1.008 1517 W CA -3.211 53.935 57.345 -0.331 0.000 1.384 1517 W CB 0.866 30.117 29.460 -0.349 0.000 1.220 1517 W HN 0.570 nan 8.180 nan 0.000 0.402 1518 P HA 0.032 nan 4.420 nan 0.000 0.272 1518 P C -0.264 177.236 177.300 0.333 0.000 1.223 1518 P CA 0.170 63.388 63.100 0.197 0.000 0.784 1518 P CB 1.396 33.234 31.700 0.230 0.000 0.923 1519 E N 1.740 122.029 120.200 0.147 0.000 2.383 1519 E HA -0.031 4.316 4.350 -0.005 0.000 0.264 1519 E C -0.954 175.612 176.600 -0.058 0.000 1.050 1519 E CA -0.520 55.740 56.400 -0.233 0.000 0.896 1519 E CB 0.212 29.758 29.700 -0.257 0.000 0.982 1519 E HN 0.369 nan 8.360 nan 0.000 0.424 1520 Y N 5.853 126.012 120.300 -0.234 0.000 2.594 1520 Y HA 0.081 4.628 4.550 -0.005 0.000 0.344 1520 Y C -0.403 175.463 175.900 -0.056 0.000 1.185 1520 Y CA -0.283 57.785 58.100 -0.054 0.000 1.565 1520 Y CB -0.621 37.819 38.460 -0.033 0.000 1.415 1520 Y HN 0.513 nan 8.280 nan 0.000 0.488 1521 N N 0.586 119.139 118.700 -0.246 0.000 2.909 1521 N HA 0.125 4.862 4.740 -0.005 0.000 0.326 1521 N C 0.694 176.041 175.510 -0.273 0.000 1.368 1521 N CA -0.394 52.540 53.050 -0.193 0.000 0.797 1521 N CB 0.175 38.606 38.487 -0.094 0.000 1.150 1521 N HN 0.213 nan 8.380 nan 0.000 0.550 1522 Q N -0.186 119.523 119.800 -0.151 0.000 2.291 1522 Q HA -0.024 4.313 4.340 -0.005 0.000 0.206 1522 Q C 0.969 176.888 176.000 -0.134 0.000 0.976 1522 Q CA 1.317 57.042 55.803 -0.129 0.000 0.875 1522 Q CB -0.356 28.342 28.738 -0.066 0.000 0.927 1522 Q HN 0.621 nan 8.270 nan 0.000 0.450 1523 K N 0.602 120.930 120.400 -0.120 0.000 2.432 1523 K HA -0.022 4.295 4.320 -0.005 0.000 0.196 1523 K C -0.109 176.426 176.600 -0.108 0.000 1.038 1523 K CA -0.005 56.238 56.287 -0.074 0.000 0.986 1523 K CB 0.261 32.747 32.500 -0.023 0.000 0.782 1523 K HN 0.219 nan 8.250 nan 0.000 0.485 1524 E N 0.167 120.186 120.200 -0.301 0.000 2.297 1524 E HA -0.161 4.186 4.350 -0.005 0.000 0.228 1524 E C 0.041 176.656 176.600 0.025 0.000 1.213 1524 E CA 0.137 56.234 56.400 -0.505 0.000 0.712 1524 E CB -1.723 27.789 29.700 -0.313 0.000 1.202 1524 E HN 0.489 nan 8.360 nan 0.000 0.376 1525 G N 0.667 109.519 108.800 0.087 0.000 2.503 1525 G HA2 0.426 4.383 3.960 -0.005 0.000 0.257 1525 G HA3 0.426 4.383 3.960 -0.005 0.000 0.257 1525 G C -0.309 174.874 174.900 0.470 0.000 1.214 1525 G CA 0.026 45.269 45.100 0.239 0.000 0.839 1525 G HN 0.330 nan 8.290 nan 0.000 0.559 1526 Y N -0.506 119.920 120.300 0.211 0.000 2.670 1526 Y HA 0.693 5.239 4.550 -0.006 0.000 0.334 1526 Y C -1.553 174.314 175.900 -0.056 0.000 1.185 1526 Y CA -1.801 56.414 58.100 0.191 0.000 1.053 1526 Y CB 1.609 40.174 38.460 0.175 0.000 1.298 1526 Y HN 0.559 nan 8.280 nan 0.000 0.459 1527 L N 2.679 123.689 121.223 -0.356 0.000 2.296 1527 L HA 0.471 4.808 4.340 -0.005 0.000 0.286 1527 L C -0.858 175.814 176.870 -0.329 0.000 1.023 1527 L CA -0.468 53.964 54.840 -0.681 0.000 0.812 1527 L CB 1.699 42.833 42.059 -1.542 0.000 1.223 1527 L HN 0.761 nan 8.230 nan 0.000 0.421 1528 Q N 6.138 125.764 119.800 -0.290 0.000 2.349 1528 Q HA 0.441 4.777 4.340 -0.005 0.000 0.254 1528 Q C -0.950 174.993 176.000 -0.095 0.000 0.980 1528 Q CA -0.042 55.716 55.803 -0.075 0.000 0.924 1528 Q CB 1.341 30.032 28.738 -0.079 0.000 1.209 1528 Q HN 0.586 nan 8.270 nan 0.000 0.445 1529 I N 2.021 122.571 120.570 -0.032 0.000 2.336 1529 I HA 0.659 4.825 4.170 -0.005 0.000 0.292 1529 I C 0.641 176.641 176.117 -0.194 0.000 0.991 1529 I CA -0.263 61.004 61.300 -0.056 0.000 1.227 1529 I CB 1.444 39.489 38.000 0.075 0.000 1.366 1529 I HN 0.760 nan 8.210 nan 0.000 0.466 1530 G N 3.203 111.890 108.800 -0.189 0.000 2.364 1530 G HA2 0.380 4.336 3.960 -0.005 0.000 0.286 1530 G HA3 0.380 4.336 3.960 -0.005 0.000 0.286 1530 G C 0.292 175.104 174.900 -0.147 0.000 1.241 1530 G CA 0.086 45.039 45.100 -0.245 0.000 0.887 1530 G HN 0.548 nan 8.290 nan 0.000 0.484 1531 A N -0.507 122.300 122.820 -0.022 0.000 1.917 1531 A HA 0.062 4.379 4.320 -0.005 0.000 0.219 1531 A C 0.982 178.554 177.584 -0.020 0.000 1.182 1531 A CA 1.638 53.680 52.037 0.008 0.000 0.633 1531 A CB -0.494 18.569 19.000 0.104 0.000 0.819 1531 A HN 0.477 nan 8.150 nan 0.000 0.448 1532 N N 0.284 118.974 118.700 -0.017 0.000 2.417 1532 N HA 0.368 5.105 4.740 -0.005 0.000 0.274 1532 N C -1.375 174.118 175.510 -0.028 0.000 0.987 1532 N CA 0.064 53.104 53.050 -0.015 0.000 0.912 1532 N CB 1.553 40.036 38.487 -0.008 0.000 1.177 1532 N HN 0.105 nan 8.380 nan 0.000 0.490 1533 T N 2.977 117.520 114.554 -0.018 0.000 2.779 1533 T HA 0.475 4.822 4.350 -0.005 0.000 0.280 1533 T C -0.230 174.459 174.700 -0.019 0.000 0.987 1533 T CA -0.718 61.368 62.100 -0.023 0.000 0.966 1533 T CB 1.375 70.255 68.868 0.021 0.000 0.933 1533 T HN 0.460 nan 8.240 nan 0.000 0.442 1534 Q N 1.403 121.163 119.800 -0.067 0.000 2.578 1534 Q HA 0.654 4.991 4.340 -0.005 0.000 0.284 1534 Q C -1.536 174.371 176.000 -0.154 0.000 0.960 1534 Q CA -1.120 54.644 55.803 -0.064 0.000 0.809 1534 Q CB 1.332 30.047 28.738 -0.037 0.000 1.462 1534 Q HN 0.643 nan 8.270 nan 0.000 0.392 1535 A N 0.636 123.381 122.820 -0.124 0.000 2.332 1535 A HA 0.863 5.180 4.320 -0.005 0.000 0.258 1535 A C -0.244 177.187 177.584 -0.255 0.000 1.087 1535 A CA 0.523 52.439 52.037 -0.201 0.000 0.802 1535 A CB 0.294 19.268 19.000 -0.044 0.000 1.042 1535 A HN 1.286 nan 8.150 nan 0.000 0.489 1536 A N 0.376 122.930 122.820 -0.444 0.000 2.568 1536 A HA 0.730 5.047 4.320 -0.005 0.000 0.291 1536 A C -0.963 176.473 177.584 -0.246 0.000 1.159 1536 A CA -0.610 51.197 52.037 -0.384 0.000 0.679 1536 A CB 0.961 19.641 19.000 -0.533 0.000 1.285 1536 A HN 0.840 nan 8.150 nan 0.000 0.428 1537 Q N -0.052 119.800 119.800 0.087 0.000 2.451 1537 Q HA 0.590 4.927 4.340 -0.005 0.000 0.281 1537 Q C -1.360 174.874 176.000 0.389 0.000 1.099 1537 Q CA -1.026 54.941 55.803 0.274 0.000 0.806 1537 Q CB 2.068 30.884 28.738 0.129 0.000 1.419 1537 Q HN 0.634 nan 8.270 nan 0.000 0.427 1538 K N 0.830 121.414 120.400 0.305 0.000 3.244 1538 K HA -0.204 4.113 4.320 -0.005 0.000 0.270 1538 K C -0.656 176.010 176.600 0.111 0.000 1.016 1538 K CA -0.043 56.355 56.287 0.185 0.000 0.754 1538 K CB -1.395 31.179 32.500 0.122 0.000 1.326 1538 K HN 0.457 nan 8.250 nan 0.000 0.465 1539 L N 1.758 122.931 121.223 -0.084 0.000 2.559 1539 L HA -0.023 4.313 4.340 -0.005 0.000 0.274 1539 L C 0.658 177.448 176.870 -0.133 0.000 1.205 1539 L CA 0.814 55.397 54.840 -0.429 0.000 0.907 1539 L CB 0.286 41.761 42.059 -0.974 0.000 1.153 1539 L HN 0.316 nan 8.230 nan 0.000 0.490 1540 K N 2.800 123.161 120.400 -0.065 0.000 3.048 1540 K HA -0.318 3.999 4.320 -0.005 0.000 0.274 1540 K C 0.986 177.625 176.600 0.065 0.000 1.098 1540 K CA 1.310 57.611 56.287 0.023 0.000 0.807 1540 K CB -1.743 30.771 32.500 0.025 0.000 1.217 1540 K HN 0.983 nan 8.250 nan 0.000 0.477 1541 D N 0.931 121.367 120.400 0.060 0.000 2.092 1541 D HA -0.149 4.488 4.640 -0.005 0.000 0.193 1541 D C 1.674 178.022 176.300 0.080 0.000 0.994 1541 D CA 2.031 56.077 54.000 0.075 0.000 0.828 1541 D CB 0.179 41.020 40.800 0.069 0.000 0.963 1541 D HN 0.474 nan 8.370 nan 0.000 0.450 1542 K N -0.311 120.128 120.400 0.063 0.000 2.032 1542 K HA -0.163 4.154 4.320 -0.005 0.000 0.209 1542 K C 2.215 178.872 176.600 0.095 0.000 1.048 1542 K CA 1.523 57.840 56.287 0.050 0.000 0.927 1542 K CB -0.073 32.429 32.500 0.002 0.000 0.712 1542 K HN 0.163 nan 8.250 nan 0.000 0.441 1543 E N 0.370 120.653 120.200 0.138 0.000 2.072 1543 E HA -0.133 4.214 4.350 -0.005 0.000 0.191 1543 E C 1.995 178.828 176.600 0.388 0.000 0.985 1543 E CA 0.911 57.488 56.400 0.296 0.000 0.801 1543 E CB -0.239 29.677 29.700 0.360 0.000 0.750 1543 E HN -0.005 nan 8.360 nan 0.000 0.452 1544 V N 1.144 121.213 119.914 0.257 0.000 2.332 1544 V HA -0.315 3.801 4.120 -0.005 0.000 0.248 1544 V C 2.222 178.427 176.094 0.185 0.000 1.055 1544 V CA 1.910 64.346 62.300 0.226 0.000 1.038 1544 V CB -0.918 30.992 31.823 0.145 0.000 0.651 1544 V HN 0.369 nan 8.190 nan 0.000 0.450 1545 A N -0.327 122.575 122.820 0.137 0.000 1.858 1545 A HA -0.259 4.058 4.320 -0.005 0.000 0.216 1545 A C 2.123 179.736 177.584 0.048 0.000 1.190 1545 A CA 2.158 54.245 52.037 0.083 0.000 0.617 1545 A CB -0.782 18.259 19.000 0.068 0.000 0.827 1545 A HN 0.526 nan 8.150 nan 0.000 0.443 1546 F N -0.763 119.136 119.950 -0.086 0.000 2.069 1546 F HA -0.215 4.309 4.527 -0.005 0.000 0.298 1546 F C 2.017 177.612 175.800 -0.340 0.000 1.113 1546 F CA 1.925 59.773 58.000 -0.252 0.000 1.214 1546 F CB -0.618 38.148 39.000 -0.390 0.000 0.978 1546 F HN 0.393 nan 8.300 nan 0.000 0.474 1547 W N 0.348 121.522 121.300 -0.210 0.000 2.388 1547 W HA -0.124 4.532 4.660 -0.005 0.000 0.294 1547 W C 2.622 178.906 176.519 -0.391 0.000 1.212 1547 W CA 1.677 58.740 57.345 -0.469 0.000 1.271 1547 W CB -1.066 28.301 29.460 -0.155 0.000 1.126 1547 W HN -0.137 nan 8.180 nan 0.000 0.535 1548 T N 0.443 115.037 114.554 0.067 0.000 2.746 1548 T HA -0.193 4.154 4.350 -0.005 0.000 0.267 1548 T C 1.471 176.165 174.700 -0.009 0.000 1.039 1548 T CA 1.596 63.750 62.100 0.090 0.000 1.142 1548 T CB -0.404 68.517 68.868 0.090 0.000 0.866 1548 T HN 0.123 nan 8.240 nan 0.000 0.444 1549 N N 1.053 119.677 118.700 -0.126 0.000 2.216 1549 N HA 0.031 4.768 4.740 -0.005 0.000 0.183 1549 N C 1.763 177.134 175.510 -0.232 0.000 1.017 1549 N CA 0.484 53.446 53.050 -0.147 0.000 0.861 1549 N CB -0.468 37.927 38.487 -0.153 0.000 0.986 1549 N HN 0.215 nan 8.380 nan 0.000 0.428 1550 L N 0.291 121.222 121.223 -0.486 0.000 2.083 1550 L HA 0.025 4.362 4.340 -0.005 0.000 0.209 1550 L C 1.698 178.436 176.870 -0.220 0.000 1.083 1550 L CA 1.469 55.977 54.840 -0.553 0.000 0.752 1550 L CB -0.574 40.828 42.059 -1.095 0.000 0.899 1550 L HN 0.051 nan 8.230 nan 0.000 0.433 1551 F N -1.431 118.489 119.950 -0.050 0.000 2.512 1551 F HA 0.065 4.588 4.527 -0.006 0.000 0.296 1551 F C 2.281 178.079 175.800 -0.003 0.000 1.110 1551 F CA 0.225 58.232 58.000 0.012 0.000 1.446 1551 F CB -0.243 38.787 39.000 0.050 0.000 1.092 1551 F HN 0.164 nan 8.300 nan 0.000 0.554 1552 A N 0.178 123.087 122.820 0.147 0.000 2.119 1552 A HA -0.014 4.303 4.320 -0.005 0.000 0.216 1552 A C 1.237 178.851 177.584 0.049 0.000 1.152 1552 A CA 0.069 52.155 52.037 0.082 0.000 0.708 1552 A CB -0.369 18.660 19.000 0.048 0.000 0.805 1552 A HN 0.142 nan 8.150 nan 0.000 0.460 1553 K N 0.000 120.420 120.400 0.033 0.000 2.780 1553 K HA 0.000 4.317 4.320 -0.005 0.000 0.191 1553 K CA 0.000 56.298 56.287 0.018 0.000 0.838 1553 K CB 0.000 32.508 32.500 0.013 0.000 1.064 1553 K HN 0.000 nan 8.250 nan 0.000 0.543