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 1mx1_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 0.000 174.712 174.600 0.187 0.000 1.055 1021 S CA 0.000 58.272 58.200 0.119 0.000 1.107 1021 S CB 0.000 63.239 63.200 0.065 0.000 0.593 1022 S N 5.157 120.950 115.700 0.156 0.000 2.998 1022 S HA 0.264 4.734 4.470 -0.000 0.000 0.348 1022 S C -2.444 172.287 174.600 0.218 0.000 1.210 1022 S CA -0.420 57.871 58.200 0.152 0.000 1.118 1022 S CB -0.444 62.834 63.200 0.130 0.000 0.832 1022 S HN 0.353 nan 8.310 nan 0.000 0.516 1023 P HA 0.159 nan 4.420 nan 0.000 0.266 1023 P C -2.374 174.798 177.300 -0.215 0.000 1.195 1023 P CA -1.015 61.983 63.100 -0.170 0.000 0.768 1023 P CB -0.022 31.592 31.700 -0.143 0.000 0.838 1024 P HA 0.083 nan 4.420 nan 0.000 0.280 1024 P C -1.040 176.251 177.300 -0.014 0.000 1.244 1024 P CA 0.144 63.085 63.100 -0.265 0.000 0.784 1024 P CB 0.716 32.115 31.700 -0.502 0.000 0.913 1025 V N 4.467 124.441 119.914 0.101 0.000 2.407 1025 V HA 0.264 4.384 4.120 -0.000 0.000 0.291 1025 V C 0.411 176.577 176.094 0.120 0.000 1.018 1025 V CA -0.672 61.718 62.300 0.149 0.000 0.842 1025 V CB 1.989 33.874 31.823 0.103 0.000 0.996 1025 V HN 0.309 nan 8.190 nan 0.000 0.426 1026 V N 3.148 123.129 119.914 0.111 0.000 2.667 1026 V HA 0.478 4.598 4.120 -0.000 0.000 0.308 1026 V C -0.357 175.684 176.094 -0.088 0.000 1.048 1026 V CA -0.679 61.537 62.300 -0.140 0.000 0.928 1026 V CB 2.284 33.724 31.823 -0.639 0.000 1.004 1026 V HN 0.794 nan 8.190 nan 0.000 0.444 1027 D N 2.528 122.837 120.400 -0.152 0.000 2.373 1027 D HA 0.381 5.020 4.640 -0.000 0.000 0.227 1027 D C 0.086 176.308 176.300 -0.130 0.000 1.091 1027 D CA 0.088 54.034 54.000 -0.090 0.000 0.840 1027 D CB 1.727 42.475 40.800 -0.087 0.000 1.060 1027 D HN 0.784 nan 8.370 nan 0.000 0.502 1028 T N -1.363 113.166 114.554 -0.041 0.000 2.936 1028 T HA 0.246 4.596 4.350 -0.000 0.000 0.282 1028 T C 1.630 176.230 174.700 -0.166 0.000 1.003 1028 T CA -0.731 61.342 62.100 -0.045 0.000 1.005 1028 T CB 1.239 70.245 68.868 0.230 0.000 1.097 1028 T HN -0.003 nan 8.240 nan 0.000 0.532 1029 V N 1.117 120.868 119.914 -0.272 0.000 2.469 1029 V HA -0.143 3.977 4.120 -0.000 0.000 0.251 1029 V C 2.195 178.064 176.094 -0.376 0.000 1.064 1029 V CA 1.664 63.748 62.300 -0.359 0.000 1.066 1029 V CB -1.137 30.385 31.823 -0.503 0.000 0.667 1029 V HN 0.865 nan 8.190 nan 0.000 0.461 1030 H N -0.503 118.400 119.070 -0.278 0.000 2.551 1030 H HA 0.496 5.052 4.556 -0.000 0.000 0.271 1030 H C 0.948 175.576 175.328 -1.166 0.000 0.984 1030 H CA 0.818 56.531 56.048 -0.558 0.000 1.164 1030 H CB 0.660 30.153 29.762 -0.449 0.000 1.437 1030 H HN 0.522 nan 8.280 nan 0.000 0.550 1031 G N 0.135 108.471 108.800 -0.774 0.000 2.368 1031 G HA2 0.027 3.987 3.960 -0.000 0.000 0.302 1031 G HA3 0.027 3.987 3.960 -0.000 0.000 0.302 1031 G C -1.349 173.520 174.900 -0.051 0.000 1.329 1031 G CA -1.131 43.501 45.100 -0.780 0.000 0.935 1031 G HN 0.020 nan 8.290 nan 0.000 0.590 1032 K N -0.426 120.131 120.400 0.261 0.000 2.144 1032 K HA 0.626 4.946 4.320 -0.000 0.000 0.270 1032 K C 0.190 177.122 176.600 0.554 0.000 1.005 1032 K CA -0.550 55.946 56.287 0.348 0.000 0.932 1032 K CB 1.972 34.619 32.500 0.245 0.000 1.021 1032 K HN 1.016 nan 8.250 nan 0.000 0.462 1033 V N 0.206 120.364 119.914 0.406 0.000 2.823 1033 V HA 0.528 4.648 4.120 -0.000 0.000 0.312 1033 V C -1.000 175.307 176.094 0.356 0.000 1.072 1033 V CA -1.142 61.396 62.300 0.397 0.000 0.937 1033 V CB 1.861 33.965 31.823 0.469 0.000 1.013 1033 V HN 0.588 nan 8.190 nan 0.000 0.430 1034 L N 3.996 125.380 121.223 0.269 0.000 2.325 1034 L HA 0.913 5.253 4.340 -0.000 0.000 0.281 1034 L C 0.258 177.153 176.870 0.041 0.000 1.004 1034 L CA 0.585 55.517 54.840 0.153 0.000 0.823 1034 L CB 0.990 43.087 42.059 0.063 0.000 1.236 1034 L HN 1.060 nan 8.230 nan 0.000 0.415 1035 G N 4.914 113.579 108.800 -0.225 0.000 3.008 1035 G HA2 0.639 4.598 3.960 -0.000 0.000 0.181 1035 G HA3 0.639 4.598 3.960 -0.000 0.000 0.181 1035 G C -1.190 173.360 174.900 -0.584 0.000 1.309 1035 G CA -0.498 44.193 45.100 -0.681 0.000 1.009 1035 G HN 0.711 nan 8.290 nan 0.000 0.584 1036 K N -1.300 118.697 120.400 -0.672 0.000 2.532 1036 K HA 0.579 4.899 4.320 -0.000 0.000 0.265 1036 K C -1.788 174.544 176.600 -0.447 0.000 0.948 1036 K CA -0.835 55.170 56.287 -0.469 0.000 0.842 1036 K CB 1.865 34.210 32.500 -0.258 0.000 1.392 1036 K HN 0.291 nan 8.250 nan 0.000 0.436 1037 F N 1.141 121.023 119.950 -0.113 0.000 2.394 1037 F HA 0.474 5.001 4.527 -0.000 0.000 0.340 1037 F C -0.254 175.529 175.800 -0.028 0.000 1.105 1037 F CA -0.849 57.115 58.000 -0.059 0.000 1.124 1037 F CB 2.040 41.025 39.000 -0.026 0.000 1.145 1037 F HN 0.088 nan 8.300 nan 0.000 0.505 1038 V N 2.287 122.333 119.914 0.220 0.000 2.623 1038 V HA 0.311 4.431 4.120 -0.000 0.000 0.304 1038 V C -0.650 175.525 176.094 0.136 0.000 1.054 1038 V CA -0.830 61.556 62.300 0.143 0.000 0.882 1038 V CB 1.912 33.807 31.823 0.120 0.000 1.002 1038 V HN 0.738 nan 8.190 nan 0.000 0.424 1039 S N 4.550 120.315 115.700 0.109 0.000 2.508 1039 S HA 0.706 5.176 4.470 -0.000 0.000 0.284 1039 S C -0.591 174.076 174.600 0.111 0.000 1.192 1039 S CA -0.376 57.883 58.200 0.098 0.000 1.070 1039 S CB 1.398 64.643 63.200 0.075 0.000 1.004 1039 S HN 0.570 nan 8.310 nan 0.000 0.493 1040 L N 3.512 124.813 121.223 0.131 0.000 2.313 1040 L HA 0.502 4.842 4.340 -0.000 0.000 0.283 1040 L C -0.726 176.292 176.870 0.248 0.000 1.013 1040 L CA -0.542 54.399 54.840 0.167 0.000 0.816 1040 L CB 0.877 42.995 42.059 0.099 0.000 1.236 1040 L HN 0.485 nan 8.230 nan 0.000 0.419 1041 E N 4.209 124.530 120.200 0.201 0.000 2.694 1041 E HA 0.380 4.729 4.350 -0.000 0.000 0.250 1041 E C 1.081 177.770 176.600 0.148 0.000 0.963 1041 E CA 1.161 57.654 56.400 0.155 0.000 0.949 1041 E CB -0.182 29.602 29.700 0.141 0.000 0.911 1041 E HN 0.864 nan 8.360 nan 0.000 0.500 1042 G N 1.622 110.415 108.800 -0.011 0.000 2.184 1042 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.206 1042 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.206 1042 G C -0.307 174.132 174.900 -0.768 0.000 0.995 1042 G CA -0.577 44.319 45.100 -0.340 0.000 0.651 1042 G HN 0.318 nan 8.290 nan 0.000 0.511 1043 F N -0.146 119.750 119.950 -0.090 0.000 2.556 1043 F HA 0.767 5.293 4.527 -0.000 0.000 0.314 1043 F C 1.077 176.845 175.800 -0.053 0.000 1.106 1043 F CA -0.243 57.705 58.000 -0.088 0.000 0.911 1043 F CB 1.724 40.659 39.000 -0.108 0.000 1.190 1043 F HN 0.093 nan 8.300 nan 0.000 0.448 1044 A N 1.254 124.118 122.820 0.074 0.000 1.843 1044 A HA -0.063 4.257 4.320 -0.000 0.000 0.213 1044 A C 1.043 178.649 177.584 0.036 0.000 1.202 1044 A CA 0.788 52.844 52.037 0.031 0.000 0.607 1044 A CB -0.517 18.482 19.000 -0.001 0.000 0.847 1044 A HN 0.675 nan 8.150 nan 0.000 0.445 1045 Q N 1.671 121.504 119.800 0.055 0.000 2.262 1045 Q HA 0.233 4.573 4.340 -0.000 0.000 0.272 1045 Q C -2.354 173.668 176.000 0.037 0.000 1.076 1045 Q CA -2.055 53.762 55.803 0.024 0.000 0.905 1045 Q CB 0.334 29.100 28.738 0.046 0.000 1.182 1045 Q HN 0.384 nan 8.270 nan 0.000 0.390 1046 P HA 0.031 nan 4.420 nan 0.000 0.274 1046 P C -0.885 176.498 177.300 0.138 0.000 1.231 1046 P CA -0.284 62.836 63.100 0.034 0.000 0.790 1046 P CB 0.865 32.525 31.700 -0.066 0.000 0.951 1047 V N 1.926 121.948 119.914 0.180 0.000 2.498 1047 V HA 0.344 4.464 4.120 -0.000 0.000 0.279 1047 V C 0.858 177.125 176.094 0.287 0.000 1.048 1047 V CA -0.467 61.963 62.300 0.217 0.000 0.967 1047 V CB 0.712 32.639 31.823 0.174 0.000 0.988 1047 V HN 0.735 nan 8.190 nan 0.000 0.473 1048 A N 7.015 130.011 122.820 0.294 0.000 2.302 1048 A HA 0.684 5.004 4.320 -0.000 0.000 0.295 1048 A C -0.344 177.213 177.584 -0.044 0.000 1.235 1048 A CA -0.276 51.808 52.037 0.079 0.000 0.876 1048 A CB -0.169 18.949 19.000 0.196 0.000 1.133 1048 A HN 0.772 nan 8.150 nan 0.000 0.533 1049 I N 2.497 122.877 120.570 -0.317 0.000 2.354 1049 I HA 0.394 4.563 4.170 -0.000 0.000 0.292 1049 I C -1.179 174.586 176.117 -0.587 0.000 0.989 1049 I CA -0.268 60.819 61.300 -0.355 0.000 1.188 1049 I CB 1.382 39.219 38.000 -0.270 0.000 1.342 1049 I HN 0.538 nan 8.210 nan 0.000 0.457 1050 F N 6.551 126.350 119.950 -0.252 0.000 2.460 1050 F HA 0.512 5.039 4.527 -0.000 0.000 0.341 1050 F C -0.145 175.513 175.800 -0.238 0.000 1.130 1050 F CA -0.502 57.400 58.000 -0.164 0.000 0.962 1050 F CB 1.114 40.108 39.000 -0.009 0.000 1.171 1050 F HN 0.123 nan 8.300 nan 0.000 0.436 1051 L N 1.898 123.055 121.223 -0.109 0.000 2.375 1051 L HA 0.653 4.993 4.340 -0.000 0.000 0.268 1051 L C 1.022 177.839 176.870 -0.089 0.000 1.058 1051 L CA -1.131 53.614 54.840 -0.158 0.000 0.803 1051 L CB 1.324 43.166 42.059 -0.362 0.000 1.212 1051 L HN 0.857 nan 8.230 nan 0.000 0.451 1052 G N 2.575 111.333 108.800 -0.069 0.000 2.395 1052 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.292 1052 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.292 1052 G C -0.224 174.714 174.900 0.064 0.000 0.953 1052 G CA 0.011 45.056 45.100 -0.091 0.000 1.207 1052 G HN 0.413 nan 8.290 nan 0.000 0.503 1053 I N 2.228 122.863 120.570 0.109 0.000 2.325 1053 I HA 0.255 4.425 4.170 -0.000 0.000 0.291 1053 I C -1.511 174.656 176.117 0.083 0.000 1.019 1053 I CA -2.394 58.954 61.300 0.080 0.000 1.302 1053 I CB 1.645 39.620 38.000 -0.042 0.000 1.401 1053 I HN 0.052 nan 8.210 nan 0.000 0.485 1054 P HA 0.053 nan 4.420 nan 0.000 0.276 1054 P C -0.253 176.942 177.300 -0.174 0.000 1.235 1054 P CA -0.048 62.897 63.100 -0.257 0.000 0.772 1054 P CB 0.588 32.146 31.700 -0.236 0.000 0.871 1055 F N 1.260 121.013 119.950 -0.330 0.000 2.682 1055 F HA 0.743 5.270 4.527 -0.000 0.000 0.308 1055 F C 0.031 175.829 175.800 -0.003 0.000 1.093 1055 F CA -0.911 56.927 58.000 -0.271 0.000 1.244 1055 F CB 0.134 38.877 39.000 -0.429 0.000 1.052 1055 F HN 0.393 nan 8.300 nan 0.000 0.573 1056 A N 0.520 123.129 122.820 -0.351 0.000 2.599 1056 A HA 0.510 4.830 4.320 -0.000 0.000 0.290 1056 A C -1.349 176.073 177.584 -0.271 0.000 1.101 1056 A CA -1.133 50.770 52.037 -0.222 0.000 0.674 1056 A CB 0.879 19.694 19.000 -0.309 0.000 1.277 1056 A HN 0.189 nan 8.150 nan 0.000 0.419 1057 K N 0.630 120.932 120.400 -0.163 0.000 2.298 1057 K HA 0.449 4.769 4.320 -0.000 0.000 0.280 1057 K C -2.464 174.019 176.600 -0.195 0.000 1.032 1057 K CA -1.567 54.630 56.287 -0.151 0.000 0.958 1057 K CB 0.429 32.877 32.500 -0.086 0.000 0.978 1057 K HN 0.321 nan 8.250 nan 0.000 0.472 1058 P HA -0.023 nan 4.420 nan 0.000 0.260 1058 P C -2.360 174.853 177.300 -0.145 0.000 1.185 1058 P CA -0.815 62.174 63.100 -0.185 0.000 0.763 1058 P CB 0.242 31.864 31.700 -0.130 0.000 0.776 1059 P HA 0.009 nan 4.420 nan 0.000 0.238 1059 P C -0.544 176.676 177.300 -0.133 0.000 1.714 1059 P CA 0.480 63.495 63.100 -0.141 0.000 0.908 1059 P CB -0.042 31.573 31.700 -0.141 0.000 1.893 1060 L N -0.578 120.578 121.223 -0.111 0.000 2.399 1060 L HA 0.540 4.879 4.340 -0.000 0.000 0.265 1060 L C 1.704 178.518 176.870 -0.094 0.000 1.089 1060 L CA -0.130 54.654 54.840 -0.093 0.000 0.802 1060 L CB 0.385 42.400 42.059 -0.073 0.000 1.180 1060 L HN 0.256 nan 8.230 nan 0.000 0.454 1061 G N 1.796 110.544 108.800 -0.087 0.000 2.629 1061 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.313 1061 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.313 1061 G C -1.308 173.533 174.900 -0.098 0.000 1.217 1061 G CA 0.288 45.340 45.100 -0.081 0.000 0.994 1061 G HN 0.627 nan 8.290 nan 0.000 0.549 1062 P HA 0.049 nan 4.420 nan 0.000 0.228 1062 P C 1.840 179.088 177.300 -0.087 0.000 1.151 1062 P CA 1.194 64.261 63.100 -0.054 0.000 0.770 1062 P CB -0.107 31.580 31.700 -0.022 0.000 0.786 1063 L N -1.154 120.001 121.223 -0.114 0.000 2.599 1063 L HA 0.113 4.453 4.340 -0.000 0.000 0.230 1063 L C 1.716 178.444 176.870 -0.235 0.000 1.141 1063 L CA -0.160 54.595 54.840 -0.142 0.000 0.877 1063 L CB -0.401 41.590 42.059 -0.114 0.000 1.009 1063 L HN -0.067 nan 8.230 nan 0.000 0.447 1064 R N 0.693 121.015 120.500 -0.296 0.000 2.491 1064 R HA 0.026 4.366 4.340 -0.000 0.000 0.283 1064 R C -0.259 175.662 176.300 -0.632 0.000 1.072 1064 R CA -0.150 55.623 56.100 -0.544 0.000 1.048 1064 R CB 0.262 30.165 30.300 -0.662 0.000 0.983 1064 R HN 0.058 nan 8.270 nan 0.000 0.450 1065 F N 0.074 119.670 119.950 -0.589 0.000 3.043 1065 F HA -0.263 4.264 4.527 0.000 0.000 0.290 1065 F C 0.047 174.872 175.800 -1.625 0.000 0.844 1065 F CA 1.310 58.608 58.000 -1.171 0.000 1.184 1065 F CB -2.611 36.113 39.000 -0.459 0.000 1.246 1065 F HN 0.662 nan 8.300 nan 0.000 0.536 1066 T N -3.684 110.225 114.554 -1.075 0.000 2.883 1066 T HA 0.800 5.150 4.350 -0.000 0.000 0.296 1066 T C -2.981 171.586 174.700 -0.222 0.000 1.117 1066 T CA -2.428 59.286 62.100 -0.644 0.000 1.006 1066 T CB 3.296 72.021 68.868 -0.239 0.000 1.191 1066 T HN -0.250 nan 8.240 nan 0.000 0.508 1067 P HA 0.260 nan 4.420 nan 0.000 0.269 1067 P C -2.350 175.023 177.300 0.122 0.000 1.215 1067 P CA -0.919 62.329 63.100 0.247 0.000 0.780 1067 P CB -0.309 31.534 31.700 0.237 0.000 0.898 1068 P HA 0.066 nan 4.420 nan 0.000 0.271 1068 P C -0.798 176.553 177.300 0.084 0.000 1.216 1068 P CA 0.154 63.308 63.100 0.089 0.000 0.776 1068 P CB 0.850 32.635 31.700 0.142 0.000 0.881 1069 Q N 2.463 122.287 119.800 0.039 0.000 2.297 1069 Q HA 0.469 4.809 4.340 -0.000 0.000 0.269 1069 Q C -2.343 173.690 176.000 0.054 0.000 1.051 1069 Q CA -2.239 53.592 55.803 0.047 0.000 0.869 1069 Q CB 0.543 29.290 28.738 0.015 0.000 1.346 1069 Q HN 0.346 nan 8.270 nan 0.000 0.457 1070 P HA -0.027 nan 4.420 nan 0.000 0.267 1070 P C -1.134 176.163 177.300 -0.004 0.000 1.200 1070 P CA 0.224 63.386 63.100 0.105 0.000 0.772 1070 P CB 0.429 32.202 31.700 0.122 0.000 0.855 1071 A N 2.692 125.496 122.820 -0.026 0.000 2.407 1071 A HA 0.145 4.465 4.320 -0.000 0.000 0.248 1071 A C 0.381 177.785 177.584 -0.301 0.000 1.082 1071 A CA -0.260 51.710 52.037 -0.112 0.000 0.785 1071 A CB -0.074 18.949 19.000 0.038 0.000 1.020 1071 A HN 0.457 nan 8.150 nan 0.000 0.489 1072 E N 2.258 122.383 120.200 -0.126 0.000 2.338 1072 E HA 0.262 4.612 4.350 -0.000 0.000 0.272 1072 E C -2.137 174.423 176.600 -0.066 0.000 1.029 1072 E CA -1.426 54.913 56.400 -0.103 0.000 0.872 1072 E CB 0.425 30.121 29.700 -0.006 0.000 1.015 1072 E HN 0.494 nan 8.360 nan 0.000 0.417 1073 P HA 0.128 nan 4.420 nan 0.000 0.272 1073 P C -0.788 176.516 177.300 0.006 0.000 1.223 1073 P CA -0.215 62.785 63.100 -0.167 0.000 0.784 1073 P CB 0.354 31.973 31.700 -0.135 0.000 0.923 1074 W N 0.296 121.610 121.300 0.024 0.000 2.902 1074 W HA 0.685 5.345 4.660 -0.000 0.000 0.346 1074 W C -1.043 175.440 176.519 -0.059 0.000 1.139 1074 W CA -0.839 56.502 57.345 -0.006 0.000 1.139 1074 W CB 0.165 29.649 29.460 0.039 0.000 1.439 1074 W HN 0.151 nan 8.180 nan 0.000 0.558 1075 S N 1.002 116.749 115.700 0.078 0.000 2.730 1075 S HA 0.713 5.183 4.470 -0.000 0.000 0.284 1075 S C -0.386 174.182 174.600 -0.053 0.000 1.153 1075 S CA -0.356 57.674 58.200 -0.284 0.000 0.995 1075 S CB 0.438 63.142 63.200 -0.827 0.000 1.058 1075 S HN 0.628 nan 8.310 nan 0.000 0.552 1076 F N -1.507 118.552 119.950 0.183 0.000 2.180 1076 F HA -0.256 4.270 4.527 -0.000 0.000 0.317 1076 F C -0.069 175.886 175.800 0.258 0.000 0.129 1076 F CA -0.166 57.939 58.000 0.174 0.000 0.910 1076 F CB -0.999 38.082 39.000 0.135 0.000 4.124 1076 F HN 0.297 nan 8.300 nan 0.000 0.145 1077 V N 0.843 121.014 119.914 0.428 0.000 2.394 1077 V HA 0.295 4.415 4.120 -0.000 0.000 0.282 1077 V C 0.038 176.257 176.094 0.208 0.000 1.031 1077 V CA -0.785 61.703 62.300 0.314 0.000 0.881 1077 V CB 1.430 33.375 31.823 0.203 0.000 0.982 1077 V HN 0.476 nan 8.190 nan 0.000 0.451 1078 K N 4.486 124.976 120.400 0.149 0.000 2.276 1078 K HA 0.197 4.517 4.320 -0.000 0.000 0.285 1078 K C 0.127 176.706 176.600 -0.035 0.000 1.062 1078 K CA -0.486 55.722 56.287 -0.131 0.000 0.918 1078 K CB 0.471 32.587 32.500 -0.640 0.000 1.055 1078 K HN 0.679 nan 8.250 nan 0.000 0.477 1079 N N 3.499 122.165 118.700 -0.057 0.000 2.406 1079 N HA 0.032 4.772 4.740 -0.000 0.000 0.265 1079 N C -1.143 174.326 175.510 -0.069 0.000 1.203 1079 N CA 0.080 53.103 53.050 -0.045 0.000 0.945 1079 N CB 0.938 39.389 38.487 -0.060 0.000 1.165 1079 N HN 0.621 nan 8.380 nan 0.000 0.485 1080 A N 3.186 125.993 122.820 -0.022 0.000 3.245 1080 A HA 0.236 4.556 4.320 -0.000 0.000 0.282 1080 A C 0.914 178.433 177.584 -0.109 0.000 1.417 1080 A CA -0.488 51.533 52.037 -0.028 0.000 1.149 1080 A CB -0.516 18.562 19.000 0.130 0.000 1.155 1080 A HN 0.648 nan 8.150 nan 0.000 0.602 1081 T N -3.455 111.001 114.554 -0.163 0.000 3.111 1081 T HA 0.322 4.671 4.350 -0.000 0.000 0.284 1081 T C 0.247 174.782 174.700 -0.275 0.000 0.983 1081 T CA 0.100 62.065 62.100 -0.225 0.000 0.900 1081 T CB -0.043 68.714 68.868 -0.186 0.000 1.132 1081 T HN 0.213 nan 8.240 nan 0.000 0.531 1082 S N 0.936 116.479 115.700 -0.261 0.000 2.503 1082 S HA 0.645 5.115 4.470 -0.000 0.000 0.301 1082 S C -1.168 173.263 174.600 -0.281 0.000 1.087 1082 S CA -0.751 57.297 58.200 -0.253 0.000 1.042 1082 S CB 0.772 63.879 63.200 -0.155 0.000 1.043 1082 S HN 0.309 nan 8.310 nan 0.000 0.489 1083 Y N 3.390 123.626 120.300 -0.106 0.000 2.610 1083 Y HA 0.211 4.761 4.550 -0.000 0.000 0.332 1083 Y C -1.425 174.368 175.900 -0.177 0.000 1.201 1083 Y CA -1.048 56.986 58.100 -0.110 0.000 1.465 1083 Y CB -0.040 38.375 38.460 -0.075 0.000 1.283 1083 Y HN 0.415 nan 8.280 nan 0.000 0.563 1084 P HA 0.254 nan 4.420 nan 0.000 0.278 1084 P C -2.718 174.499 177.300 -0.139 0.000 1.266 1084 P CA -1.803 61.127 63.100 -0.283 0.000 0.807 1084 P CB 0.784 32.194 31.700 -0.484 0.000 1.094 1085 P HA 0.225 nan 4.420 nan 0.000 0.274 1085 P C -0.074 177.181 177.300 -0.075 0.000 1.246 1085 P CA -0.146 62.892 63.100 -0.102 0.000 0.795 1085 P CB 0.216 31.854 31.700 -0.103 0.000 1.006 1086 M N -0.517 119.027 119.600 -0.094 0.000 2.444 1086 M HA 0.479 4.959 4.480 -0.000 0.000 0.319 1086 M C -0.697 175.521 176.300 -0.137 0.000 1.183 1086 M CA -0.649 54.588 55.300 -0.105 0.000 1.032 1086 M CB 0.595 33.118 32.600 -0.129 0.000 1.569 1086 M HN 0.108 nan 8.290 nan 0.000 0.468 1087 c N 1.815 120.323 118.600 -0.153 0.000 2.679 1087 c HA 0.149 4.719 4.570 -0.000 0.000 0.417 1087 c C 0.897 174.798 174.090 -0.314 0.000 1.302 1087 c CA -0.226 55.962 56.329 -0.236 0.000 1.973 1087 c CB -0.351 42.034 42.510 -0.209 0.000 2.715 1087 c HN 0.867 nan 8.230 nan 0.000 0.628 1088 T N 4.422 118.648 114.554 -0.546 0.000 2.891 1088 T HA 0.259 4.609 4.350 -0.000 0.000 0.296 1088 T C -0.025 174.432 174.700 -0.404 0.000 1.025 1088 T CA 0.485 62.204 62.100 -0.635 0.000 1.149 1088 T CB -0.211 67.867 68.868 -1.317 0.000 1.007 1088 T HN 0.892 nan 8.240 nan 0.000 0.528 1089 Q N 0.901 120.609 119.800 -0.154 0.000 2.804 1089 Q HA 0.295 4.635 4.340 -0.000 0.000 0.302 1089 Q C -1.662 174.365 176.000 0.044 0.000 0.885 1089 Q CA -1.168 54.645 55.803 0.016 0.000 0.759 1089 Q CB 0.892 29.629 28.738 -0.002 0.000 1.465 1089 Q HN 0.389 nan 8.270 nan 0.000 0.432 1090 D N 2.265 122.718 120.400 0.088 0.000 2.426 1090 D HA 0.017 4.656 4.640 -0.000 0.000 0.261 1090 D C -1.230 175.083 176.300 0.021 0.000 1.245 1090 D CA -1.124 52.916 54.000 0.068 0.000 0.917 1090 D CB 1.082 41.929 40.800 0.079 0.000 1.123 1090 D HN 0.326 nan 8.370 nan 0.000 0.508 1091 P HA -0.150 nan 4.420 nan 0.000 0.218 1091 P C 0.939 178.227 177.300 -0.020 0.000 1.149 1091 P CA 1.059 64.148 63.100 -0.018 0.000 0.817 1091 P CB 0.450 32.139 31.700 -0.019 0.000 0.785 1092 K N -0.158 120.237 120.400 -0.009 0.000 2.062 1092 K HA 0.040 4.360 4.320 -0.000 0.000 0.205 1092 K C 2.370 178.958 176.600 -0.020 0.000 1.051 1092 K CA 1.249 57.528 56.287 -0.013 0.000 0.941 1092 K CB -0.403 32.094 32.500 -0.005 0.000 0.719 1092 K HN 0.028 nan 8.250 nan 0.000 0.440 1093 A N 1.257 124.070 122.820 -0.012 0.000 1.897 1093 A HA -0.015 4.305 4.320 -0.000 0.000 0.215 1093 A C 2.397 179.957 177.584 -0.040 0.000 1.181 1093 A CA 1.628 53.653 52.037 -0.020 0.000 0.620 1093 A CB -1.068 17.935 19.000 0.004 0.000 0.821 1093 A HN 0.383 nan 8.150 nan 0.000 0.443 1094 G N -0.655 108.125 108.800 -0.033 0.000 2.446 1094 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.217 1094 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.217 1094 G C 1.656 176.510 174.900 -0.077 0.000 1.168 1094 G CA 1.178 46.246 45.100 -0.054 0.000 0.771 1094 G HN 0.607 nan 8.290 nan 0.000 0.551 1095 Q N -0.573 119.186 119.800 -0.067 0.000 2.079 1095 Q HA -0.051 4.289 4.340 -0.000 0.000 0.200 1095 Q C 2.464 178.422 176.000 -0.071 0.000 0.974 1095 Q CA 1.181 56.941 55.803 -0.072 0.000 0.840 1095 Q CB -0.206 28.498 28.738 -0.056 0.000 0.898 1095 Q HN 0.409 nan 8.270 nan 0.000 0.430 1096 L N 0.526 121.713 121.223 -0.061 0.000 2.017 1096 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 1096 L C 2.138 178.955 176.870 -0.089 0.000 1.073 1096 L CA 1.487 56.294 54.840 -0.055 0.000 0.745 1096 L CB -0.711 41.321 42.059 -0.046 0.000 0.894 1096 L HN 0.384 nan 8.230 nan 0.000 0.432 1097 L N -1.161 119.978 121.223 -0.140 0.000 2.083 1097 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 1097 L C 2.616 179.340 176.870 -0.243 0.000 1.083 1097 L CA 2.042 56.723 54.840 -0.264 0.000 0.752 1097 L CB -0.902 40.990 42.059 -0.278 0.000 0.899 1097 L HN 0.424 nan 8.230 nan 0.000 0.433 1098 S N -0.771 114.832 115.700 -0.161 0.000 2.368 1098 S HA -0.203 4.267 4.470 -0.000 0.000 0.225 1098 S C 1.874 176.403 174.600 -0.118 0.000 1.030 1098 S CA 1.540 59.644 58.200 -0.160 0.000 0.999 1098 S CB -0.248 62.856 63.200 -0.160 0.000 0.844 1098 S HN 0.643 nan 8.310 nan 0.000 0.459 1099 E N 0.364 120.522 120.200 -0.069 0.000 2.106 1099 E HA -0.061 4.289 4.350 -0.000 0.000 0.192 1099 E C 1.998 178.641 176.600 0.071 0.000 0.984 1099 E CA 1.103 57.495 56.400 -0.013 0.000 0.806 1099 E CB -0.152 29.548 29.700 0.000 0.000 0.750 1099 E HN 0.494 nan 8.360 nan 0.000 0.458 1100 L N -0.483 120.796 121.223 0.093 0.000 2.179 1100 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 1100 L C 1.721 178.909 176.870 0.530 0.000 1.096 1100 L CA 0.507 55.512 54.840 0.274 0.000 0.779 1100 L CB -0.019 42.164 42.059 0.206 0.000 0.922 1100 L HN 0.112 nan 8.230 nan 0.000 0.443 1101 F N -0.852 119.074 119.950 -0.040 0.000 2.731 1101 F HA 0.145 4.672 4.527 -0.000 0.000 0.298 1101 F C 1.574 177.069 175.800 -0.510 0.000 1.106 1101 F CA -0.491 57.358 58.000 -0.252 0.000 1.329 1101 F CB -0.598 38.278 39.000 -0.207 0.000 1.100 1101 F HN -0.177 nan 8.300 nan 0.000 0.592 1102 T N 1.900 116.327 114.554 -0.212 0.000 2.932 1102 T HA -0.005 4.345 4.350 -0.000 0.000 0.312 1102 T C 1.311 175.862 174.700 -0.248 0.000 1.071 1102 T CA -0.046 61.834 62.100 -0.367 0.000 1.128 1102 T CB 0.365 69.073 68.868 -0.266 0.000 0.984 1102 T HN 0.341 nan 8.240 nan 0.000 0.549 1103 N N 3.726 122.222 118.700 -0.339 0.000 2.236 1103 N HA 0.024 4.764 4.740 -0.000 0.000 0.196 1103 N C 0.462 175.855 175.510 -0.196 0.000 1.114 1103 N CA -0.317 52.584 53.050 -0.249 0.000 0.859 1103 N CB 0.047 38.370 38.487 -0.273 0.000 0.982 1103 N HN 0.686 nan 8.380 nan 0.000 0.493 1104 R N 0.412 120.814 120.500 -0.165 0.000 2.553 1104 R HA 0.389 4.729 4.340 -0.000 0.000 0.263 1104 R C 0.670 176.930 176.300 -0.067 0.000 1.066 1104 R CA -0.775 55.266 56.100 -0.099 0.000 1.135 1104 R CB 1.422 31.672 30.300 -0.083 0.000 1.148 1104 R HN -0.267 nan 8.270 nan 0.000 0.558 1105 K N 0.477 120.860 120.400 -0.029 0.000 1.991 1105 K HA -0.149 4.171 4.320 -0.000 0.000 0.212 1105 K C -0.039 176.558 176.600 -0.006 0.000 1.049 1105 K CA 1.776 58.061 56.287 -0.004 0.000 0.932 1105 K CB -0.042 32.468 32.500 0.016 0.000 0.717 1105 K HN 0.586 nan 8.250 nan 0.000 0.441 1106 E N 0.997 121.187 120.200 -0.016 0.000 2.183 1106 E HA 0.129 4.479 4.350 -0.000 0.000 0.271 1106 E C -0.856 175.709 176.600 -0.057 0.000 0.919 1106 E CA -0.456 55.930 56.400 -0.024 0.000 0.781 1106 E CB 1.580 31.272 29.700 -0.013 0.000 1.140 1106 E HN 0.150 nan 8.360 nan 0.000 0.402 1107 N N 3.537 122.200 118.700 -0.062 0.000 2.492 1107 N HA 0.003 4.743 4.740 -0.000 0.000 0.262 1107 N C -0.537 174.900 175.510 -0.121 0.000 1.202 1107 N CA -0.288 52.701 53.050 -0.102 0.000 0.926 1107 N CB 0.527 38.966 38.487 -0.081 0.000 1.078 1107 N HN 0.358 nan 8.380 nan 0.000 0.454 1108 I N 5.564 126.019 120.570 -0.192 0.000 2.337 1108 I HA 0.207 4.377 4.170 -0.000 0.000 0.291 1108 I C -1.781 174.226 176.117 -0.183 0.000 1.046 1108 I CA -2.248 58.919 61.300 -0.222 0.000 1.324 1108 I CB 0.417 38.144 38.000 -0.454 0.000 1.409 1108 I HN 0.401 nan 8.210 nan 0.000 0.494 1109 P HA 0.267 nan 4.420 nan 0.000 0.271 1109 P C -0.799 176.440 177.300 -0.101 0.000 1.220 1109 P CA -0.101 62.942 63.100 -0.095 0.000 0.768 1109 P CB 1.160 32.823 31.700 -0.062 0.000 0.848 1110 L N 2.382 123.543 121.223 -0.104 0.000 2.322 1110 L HA 0.518 4.858 4.340 -0.000 0.000 0.269 1110 L C 0.643 177.464 176.870 -0.081 0.000 1.012 1110 L CA -1.262 53.520 54.840 -0.098 0.000 0.815 1110 L CB 1.574 43.561 42.059 -0.120 0.000 1.295 1110 L HN 0.194 nan 8.230 nan 0.000 0.438 1111 K N 1.159 121.513 120.400 -0.077 0.000 2.098 1111 K HA 0.595 4.915 4.320 -0.000 0.000 0.261 1111 K C -0.866 175.679 176.600 -0.091 0.000 0.987 1111 K CA -0.237 56.004 56.287 -0.076 0.000 0.916 1111 K CB 1.065 33.523 32.500 -0.071 0.000 1.039 1111 K HN 0.361 nan 8.250 nan 0.000 0.455 1112 L N 1.113 122.279 121.223 -0.094 0.000 2.357 1112 L HA 0.566 4.906 4.340 -0.000 0.000 0.273 1112 L C -0.055 176.733 176.870 -0.137 0.000 1.080 1112 L CA -0.486 54.279 54.840 -0.125 0.000 0.803 1112 L CB 1.672 43.658 42.059 -0.122 0.000 1.174 1112 L HN 0.588 nan 8.230 nan 0.000 0.443 1113 S N 0.054 115.642 115.700 -0.186 0.000 2.608 1113 S HA 0.142 4.612 4.470 -0.000 0.000 0.285 1113 S C -0.009 174.434 174.600 -0.261 0.000 1.108 1113 S CA -0.625 57.467 58.200 -0.181 0.000 0.858 1113 S CB 1.326 64.460 63.200 -0.110 0.000 1.077 1113 S HN 0.755 nan 8.310 nan 0.000 0.450 1114 E N 1.003 121.042 120.200 -0.269 0.000 2.285 1114 E HA -0.042 4.308 4.350 -0.000 0.000 0.194 1114 E C -0.268 176.212 176.600 -0.200 0.000 0.997 1114 E CA 0.446 56.649 56.400 -0.329 0.000 0.845 1114 E CB 0.098 29.656 29.700 -0.237 0.000 0.782 1114 E HN 0.528 nan 8.360 nan 0.000 0.491 1115 D N 0.507 120.835 120.400 -0.119 0.000 2.483 1115 D HA -0.001 4.639 4.640 -0.000 0.000 0.220 1115 D C -0.009 176.331 176.300 0.067 0.000 1.173 1115 D CA -0.345 53.627 54.000 -0.048 0.000 0.964 1115 D CB -0.000 40.804 40.800 0.007 0.000 1.046 1115 D HN 0.141 nan 8.370 nan 0.000 0.517 1116 c N 2.642 121.225 118.600 -0.028 0.000 3.626 1116 c HA 0.382 4.952 4.570 -0.000 0.000 0.276 1116 c C 0.547 174.616 174.090 -0.034 0.000 1.694 1116 c CA -0.732 55.648 56.329 0.085 0.000 1.785 1116 c CB -1.348 41.141 42.510 -0.036 0.000 3.152 1116 c HN 0.449 nan 8.230 nan 0.000 0.571 1117 L N 2.447 123.401 121.223 -0.448 0.000 2.399 1117 L HA 0.406 4.746 4.340 -0.000 0.000 0.257 1117 L C -0.806 175.421 176.870 -1.071 0.000 1.236 1117 L CA 0.473 54.852 54.840 -0.767 0.000 1.144 1117 L CB -0.715 40.753 42.059 -0.985 0.000 1.379 1117 L HN 0.399 nan 8.230 nan 0.000 0.414 1118 Y N 1.879 122.085 120.300 -0.157 0.000 2.605 1118 Y HA 0.715 5.265 4.550 -0.000 0.000 0.343 1118 Y C -0.160 175.871 175.900 0.219 0.000 1.036 1118 Y CA -1.262 56.833 58.100 -0.009 0.000 1.065 1118 Y CB 1.988 40.419 38.460 -0.049 0.000 1.288 1118 Y HN 0.161 nan 8.280 nan 0.000 0.481 1119 L N -0.337 121.054 121.223 0.280 0.000 2.424 1119 L HA 0.740 5.080 4.340 -0.000 0.000 0.258 1119 L C -1.530 175.388 176.870 0.080 0.000 0.995 1119 L CA -1.170 53.768 54.840 0.163 0.000 0.821 1119 L CB 1.766 43.831 42.059 0.009 0.000 1.383 1119 L HN 0.403 nan 8.230 nan 0.000 0.410 1120 N N 1.757 120.534 118.700 0.127 0.000 2.362 1120 N HA 0.720 5.459 4.740 -0.000 0.000 0.298 1120 N C -1.174 174.368 175.510 0.054 0.000 1.048 1120 N CA -0.204 52.889 53.050 0.072 0.000 0.858 1120 N CB 2.515 41.112 38.487 0.184 0.000 1.218 1120 N HN 0.687 nan 8.380 nan 0.000 0.488 1121 I N 1.962 122.468 120.570 -0.106 0.000 2.465 1121 I HA 0.311 4.481 4.170 -0.000 0.000 0.291 1121 I C -1.075 174.965 176.117 -0.128 0.000 1.014 1121 I CA -0.775 60.504 61.300 -0.034 0.000 1.093 1121 I CB 1.106 38.993 38.000 -0.188 0.000 1.267 1121 I HN 0.323 nan 8.210 nan 0.000 0.431 1122 Y N 3.500 123.928 120.300 0.212 0.000 2.447 1122 Y HA 0.370 4.920 4.550 -0.000 0.000 0.325 1122 Y C 0.361 176.390 175.900 0.215 0.000 0.976 1122 Y CA -0.732 57.494 58.100 0.210 0.000 1.280 1122 Y CB 1.880 40.443 38.460 0.172 0.000 1.104 1122 Y HN 0.378 nan 8.280 nan 0.000 0.486 1123 T N 5.147 119.913 114.554 0.353 0.000 2.792 1123 T HA 0.326 4.676 4.350 -0.000 0.000 0.280 1123 T C -1.981 172.879 174.700 0.268 0.000 0.990 1123 T CA -2.342 59.948 62.100 0.316 0.000 0.960 1123 T CB 1.299 70.395 68.868 0.380 0.000 0.939 1123 T HN 0.354 nan 8.240 nan 0.000 0.439 1124 P HA 0.226 nan 4.420 nan 0.000 0.240 1124 P C 0.522 177.907 177.300 0.142 0.000 1.190 1124 P CA -0.062 63.121 63.100 0.139 0.000 0.781 1124 P CB 0.077 31.819 31.700 0.071 0.000 0.931 1125 A N 1.153 124.072 122.820 0.164 0.000 2.475 1125 A HA 0.058 4.378 4.320 -0.000 0.000 0.239 1125 A C 0.052 177.731 177.584 0.158 0.000 1.087 1125 A CA 0.193 52.316 52.037 0.145 0.000 0.779 1125 A CB -0.537 18.551 19.000 0.148 0.000 1.036 1125 A HN 0.045 nan 8.150 nan 0.000 0.506 1126 D N 0.991 121.462 120.400 0.118 0.000 2.456 1126 D HA 0.364 5.004 4.640 -0.000 0.000 0.219 1126 D C 0.777 177.148 176.300 0.117 0.000 1.126 1126 D CA -0.212 53.854 54.000 0.111 0.000 0.890 1126 D CB -0.027 40.811 40.800 0.064 0.000 1.025 1126 D HN 0.373 nan 8.370 nan 0.000 0.511 1127 L N 2.591 123.913 121.223 0.165 0.000 2.549 1127 L HA -0.084 4.256 4.340 -0.000 0.000 0.230 1127 L C 2.285 179.209 176.870 0.090 0.000 1.162 1127 L CA 1.250 56.170 54.840 0.132 0.000 0.834 1127 L CB -0.728 41.438 42.059 0.178 0.000 0.947 1127 L HN 0.529 nan 8.230 nan 0.000 0.452 1128 T N -3.643 110.964 114.554 0.089 0.000 3.043 1128 T HA 0.016 4.366 4.350 -0.000 0.000 0.263 1128 T C 0.941 175.665 174.700 0.040 0.000 1.094 1128 T CA 0.279 62.416 62.100 0.061 0.000 1.127 1128 T CB 0.161 69.063 68.868 0.057 0.000 0.905 1128 T HN 0.233 nan 8.240 nan 0.000 0.490 1129 K N 0.429 120.854 120.400 0.041 0.000 2.303 1129 K HA 0.533 4.852 4.320 -0.000 0.000 0.233 1129 K C -0.669 175.947 176.600 0.027 0.000 1.046 1129 K CA -1.036 55.268 56.287 0.029 0.000 0.895 1129 K CB 1.538 34.056 32.500 0.029 0.000 1.220 1129 K HN 0.002 nan 8.250 nan 0.000 0.470 1130 K N 1.606 122.017 120.400 0.019 0.000 2.172 1130 K HA 0.193 4.513 4.320 -0.000 0.000 0.276 1130 K C -0.943 175.671 176.600 0.024 0.000 1.013 1130 K CA -0.300 55.996 56.287 0.015 0.000 0.913 1130 K CB 0.603 33.106 32.500 0.005 0.000 1.055 1130 K HN 0.506 nan 8.250 nan 0.000 0.461 1131 N N 2.996 121.714 118.700 0.030 0.000 2.277 1131 N HA 0.308 5.048 4.740 -0.000 0.000 0.286 1131 N C -1.190 174.342 175.510 0.038 0.000 1.140 1131 N CA -0.758 52.316 53.050 0.039 0.000 0.799 1131 N CB 1.799 40.322 38.487 0.061 0.000 1.596 1131 N HN 0.458 nan 8.380 nan 0.000 0.473 1132 R N 1.864 122.384 120.500 0.033 0.000 2.782 1132 R HA 0.363 4.703 4.340 -0.000 0.000 0.293 1132 R C -0.276 176.044 176.300 0.032 0.000 1.333 1132 R CA -0.320 55.797 56.100 0.027 0.000 1.479 1132 R CB 0.321 30.626 30.300 0.007 0.000 1.306 1132 R HN 0.491 nan 8.270 nan 0.000 0.654 1133 L N 2.623 123.877 121.223 0.053 0.000 2.452 1133 L HA 0.286 4.626 4.340 -0.000 0.000 0.267 1133 L C -1.604 175.299 176.870 0.055 0.000 1.188 1133 L CA -1.660 53.213 54.840 0.054 0.000 0.821 1133 L CB 0.174 42.279 42.059 0.075 0.000 1.102 1133 L HN -0.074 nan 8.230 nan 0.000 0.470 1134 P HA 0.053 nan 4.420 nan 0.000 0.269 1134 P C -0.849 176.494 177.300 0.072 0.000 1.209 1134 P CA -0.121 63.003 63.100 0.040 0.000 0.776 1134 P CB 1.040 32.750 31.700 0.016 0.000 0.876 1135 V N 4.576 124.546 119.914 0.093 0.000 2.459 1135 V HA 0.376 4.496 4.120 -0.000 0.000 0.295 1135 V C 0.556 176.732 176.094 0.136 0.000 1.029 1135 V CA -0.375 62.003 62.300 0.130 0.000 0.874 1135 V CB 1.252 33.166 31.823 0.151 0.000 0.985 1135 V HN 0.499 nan 8.190 nan 0.000 0.438 1136 M N 4.899 124.599 119.600 0.167 0.000 2.078 1136 M HA 0.460 4.940 4.480 -0.000 0.000 0.320 1136 M C -1.116 175.463 176.300 0.465 0.000 0.969 1136 M CA -0.546 54.875 55.300 0.202 0.000 0.929 1136 M CB 1.895 34.485 32.600 -0.016 0.000 1.504 1136 M HN 0.362 nan 8.290 nan 0.000 0.419 1137 V N 3.822 124.019 119.914 0.470 0.000 2.348 1137 V HA 0.258 4.378 4.120 -0.000 0.000 0.270 1137 V C -0.550 175.828 176.094 0.474 0.000 1.037 1137 V CA -0.523 62.025 62.300 0.413 0.000 0.872 1137 V CB 0.905 32.855 31.823 0.211 0.000 1.002 1137 V HN 0.822 nan 8.190 nan 0.000 0.464 1138 W N 7.249 128.637 121.300 0.146 0.000 2.351 1138 W HA 0.601 5.261 4.660 -0.000 0.000 0.311 1138 W C -1.209 175.227 176.519 -0.139 0.000 1.168 1138 W CA -0.817 56.368 57.345 -0.265 0.000 1.200 1138 W CB 1.222 30.506 29.460 -0.293 0.000 1.221 1138 W HN 0.429 nan 8.180 nan 0.000 0.519 1139 I N 7.896 127.825 120.570 -1.068 0.000 2.382 1139 I HA 0.066 4.236 4.170 -0.000 0.000 0.285 1139 I C 0.929 176.332 176.117 -1.191 0.000 1.007 1139 I CA -0.850 59.973 61.300 -0.795 0.000 1.142 1139 I CB 0.949 38.605 38.000 -0.574 0.000 1.289 1139 I HN 0.398 nan 8.210 nan 0.000 0.453 1140 H N 4.656 123.333 119.070 -0.654 0.000 2.757 1140 H HA 0.410 4.966 4.556 -0.000 0.000 0.370 1140 H C -0.016 175.279 175.328 -0.055 0.000 1.172 1140 H CA -0.341 55.507 56.048 -0.334 0.000 1.426 1140 H CB 0.967 30.790 29.762 0.101 0.000 1.438 1140 H HN 0.624 nan 8.280 nan 0.000 0.612 1141 G N -1.653 107.255 108.800 0.180 0.000 2.642 1141 G HA2 0.471 4.431 3.960 -0.000 0.000 0.291 1141 G HA3 0.471 4.431 3.960 -0.000 0.000 0.291 1141 G C 0.242 175.337 174.900 0.324 0.000 1.345 1141 G CA -0.776 44.443 45.100 0.198 0.000 1.043 1141 G HN 1.213 nan 8.290 nan 0.000 0.528 1142 G N -2.632 106.312 108.800 0.240 0.000 2.263 1142 G HA2 0.405 4.365 3.960 -0.000 0.000 0.207 1142 G HA3 0.405 4.365 3.960 -0.000 0.000 0.207 1142 G C 1.026 175.997 174.900 0.117 0.000 1.072 1142 G CA 0.667 45.873 45.100 0.177 0.000 0.800 1142 G HN 2.301 nan 8.290 nan 0.000 0.491 1143 G N -0.138 108.723 108.800 0.101 0.000 2.269 1143 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.277 1143 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.277 1143 G C 1.220 176.098 174.900 -0.036 0.000 1.008 1143 G CA 0.916 46.035 45.100 0.030 0.000 0.774 1143 G HN 1.825 nan 8.290 nan 0.000 0.511 1144 L N -3.760 117.469 121.223 0.009 0.000 4.884 1144 L HA -0.286 4.054 4.340 -0.000 0.000 0.430 1144 L C 2.067 178.982 176.870 0.075 0.000 1.087 1144 L CA 1.691 56.531 54.840 -0.001 0.000 1.033 1144 L CB -1.377 40.423 42.059 -0.431 0.000 2.030 1144 L HN 0.433 nan 8.230 nan 0.000 0.762 1145 M N -1.349 118.288 119.600 0.063 0.000 2.653 1145 M HA 0.319 4.799 4.480 -0.000 0.000 0.259 1145 M C 0.857 177.219 176.300 0.105 0.000 1.244 1145 M CA 1.238 56.588 55.300 0.083 0.000 1.163 1145 M CB 0.434 33.060 32.600 0.043 0.000 1.309 1145 M HN 0.241 nan 8.290 nan 0.000 0.509 1146 V N -2.881 117.090 119.914 0.095 0.000 3.156 1146 V HA 1.047 5.167 4.120 -0.000 0.000 0.310 1146 V C -0.218 175.942 176.094 0.110 0.000 1.234 1146 V CA -0.270 62.071 62.300 0.068 0.000 1.065 1146 V CB 1.189 33.033 31.823 0.036 0.000 1.088 1146 V HN 0.513 nan 8.190 nan 0.000 0.451 1147 G N -0.921 107.894 108.800 0.025 0.000 2.459 1147 G HA2 0.593 4.553 3.960 -0.000 0.000 0.685 1147 G HA3 0.593 4.553 3.960 -0.000 0.000 0.685 1147 G C -0.637 174.014 174.900 -0.416 0.000 1.303 1147 G CA -0.162 44.911 45.100 -0.045 0.000 0.907 1147 G HN 2.678 nan 8.290 nan 0.000 0.632 1148 A N -0.912 121.502 122.820 -0.676 0.000 2.612 1148 A HA 1.053 5.373 4.320 -0.000 0.000 0.293 1148 A C 0.791 178.178 177.584 -0.327 0.000 1.075 1148 A CA 0.678 52.396 52.037 -0.532 0.000 0.680 1148 A CB 0.900 19.763 19.000 -0.229 0.000 1.279 1148 A HN 2.555 nan 8.150 nan 0.000 0.411 1149 A N 0.220 123.007 122.820 -0.055 0.000 1.930 1149 A HA 0.142 4.462 4.320 -0.000 0.000 0.215 1149 A C 1.991 179.721 177.584 0.244 0.000 1.176 1149 A CA 2.198 54.375 52.037 0.233 0.000 0.632 1149 A CB -0.795 18.375 19.000 0.284 0.000 0.819 1149 A HN 1.127 nan 8.150 nan 0.000 0.445 1150 S N 0.059 115.823 115.700 0.108 0.000 2.440 1150 S HA -0.129 4.340 4.470 -0.000 0.000 0.238 1150 S C 1.834 176.339 174.600 -0.159 0.000 1.010 1150 S CA 1.597 59.808 58.200 0.018 0.000 0.972 1150 S CB -0.537 62.588 63.200 -0.125 0.000 0.774 1150 S HN 0.690 nan 8.310 nan 0.000 0.501 1151 T N 0.819 115.259 114.554 -0.191 0.000 2.803 1151 T HA -0.086 4.264 4.350 -0.000 0.000 0.269 1151 T C -0.037 174.244 174.700 -0.698 0.000 1.052 1151 T CA 1.095 62.914 62.100 -0.468 0.000 1.136 1151 T CB -0.274 68.230 68.868 -0.607 0.000 0.864 1151 T HN 0.425 nan 8.240 nan 0.000 0.467 1152 Y N 1.666 121.773 120.300 -0.321 0.000 2.385 1152 Y HA 0.431 4.981 4.550 -0.000 0.000 0.341 1152 Y C 0.044 175.690 175.900 -0.423 0.000 0.965 1152 Y CA -2.226 55.502 58.100 -0.621 0.000 1.180 1152 Y CB 0.397 38.171 38.460 -1.143 0.000 1.139 1152 Y HN -0.091 nan 8.280 nan 0.000 0.502 1153 D N 2.457 122.683 120.400 -0.290 0.000 2.316 1153 D HA 0.156 4.796 4.640 -0.000 0.000 0.245 1153 D C 0.990 177.052 176.300 -0.397 0.000 1.171 1153 D CA -0.003 53.843 54.000 -0.256 0.000 0.856 1153 D CB 1.596 42.330 40.800 -0.109 0.000 1.090 1153 D HN 0.867 nan 8.370 nan 0.000 0.476 1154 G N 3.328 111.462 108.800 -1.111 0.000 2.985 1154 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.209 1154 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.209 1154 G C 1.344 176.008 174.900 -0.393 0.000 1.165 1154 G CA -0.117 44.550 45.100 -0.722 0.000 0.776 1154 G HN 0.492 nan 8.290 nan 0.000 0.541 1155 L N 1.603 122.658 121.223 -0.280 0.000 1.990 1155 L HA -0.057 4.283 4.340 -0.000 0.000 0.213 1155 L C 2.928 179.792 176.870 -0.010 0.000 1.072 1155 L CA 2.514 57.370 54.840 0.027 0.000 0.755 1155 L CB -0.669 41.451 42.059 0.102 0.000 0.889 1155 L HN 0.211 nan 8.230 nan 0.000 0.432 1156 A N -0.893 121.918 122.820 -0.015 0.000 1.858 1156 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 1156 A C 2.243 179.785 177.584 -0.070 0.000 1.190 1156 A CA 1.871 53.900 52.037 -0.013 0.000 0.617 1156 A CB -1.119 17.886 19.000 0.008 0.000 0.827 1156 A HN 0.501 nan 8.150 nan 0.000 0.443 1157 L N -0.132 121.035 121.223 -0.094 0.000 2.046 1157 L HA -0.078 4.261 4.340 -0.000 0.000 0.208 1157 L C 2.624 179.455 176.870 -0.065 0.000 1.077 1157 L CA 2.272 57.042 54.840 -0.116 0.000 0.747 1157 L CB -0.911 41.034 42.059 -0.190 0.000 0.896 1157 L HN 0.360 nan 8.230 nan 0.000 0.432 1158 A N -0.339 122.461 122.820 -0.032 0.000 1.858 1158 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 1158 A C 2.469 180.005 177.584 -0.080 0.000 1.190 1158 A CA 2.205 54.247 52.037 0.008 0.000 0.617 1158 A CB -1.355 17.708 19.000 0.105 0.000 0.827 1158 A HN 0.595 nan 8.150 nan 0.000 0.443 1159 A N -1.243 121.452 122.820 -0.208 0.000 1.858 1159 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 1159 A C 2.066 179.206 177.584 -0.740 0.000 1.190 1159 A CA 1.585 53.289 52.037 -0.555 0.000 0.617 1159 A CB -1.086 17.384 19.000 -0.883 0.000 0.827 1159 A HN 0.704 nan 8.150 nan 0.000 0.443 1160 H N -0.952 117.725 119.070 -0.654 0.000 2.421 1160 H HA -0.038 4.518 4.556 -0.000 0.000 0.298 1160 H C 0.874 176.148 175.328 -0.090 0.000 1.087 1160 H CA 1.496 57.357 56.048 -0.311 0.000 1.330 1160 H CB 0.323 29.919 29.762 -0.278 0.000 1.388 1160 H HN 0.452 nan 8.280 nan 0.000 0.526 1161 E N -0.141 120.065 120.200 0.011 0.000 2.601 1161 E HA 0.042 4.392 4.350 -0.000 0.000 0.219 1161 E C -0.279 176.334 176.600 0.022 0.000 0.964 1161 E CA -0.230 56.186 56.400 0.027 0.000 1.050 1161 E CB 0.141 29.853 29.700 0.021 0.000 1.068 1161 E HN 0.385 nan 8.360 nan 0.000 0.496 1162 N N 0.405 119.110 118.700 0.008 0.000 2.727 1162 N HA -0.163 4.577 4.740 -0.000 0.000 0.251 1162 N C -0.728 174.807 175.510 0.042 0.000 1.040 1162 N CA 0.618 53.686 53.050 0.029 0.000 0.712 1162 N CB -0.826 37.685 38.487 0.040 0.000 0.912 1162 N HN 0.060 nan 8.380 nan 0.000 0.545 1163 V N -3.586 116.356 119.914 0.047 0.000 2.962 1163 V HA 0.757 4.877 4.120 -0.000 0.000 0.313 1163 V C 0.373 176.531 176.094 0.107 0.000 1.099 1163 V CA -0.975 61.364 62.300 0.065 0.000 0.971 1163 V CB 2.204 34.051 31.823 0.040 0.000 1.028 1163 V HN -0.141 nan 8.190 nan 0.000 0.430 1164 V N 3.558 123.552 119.914 0.135 0.000 2.408 1164 V HA 0.371 4.491 4.120 -0.000 0.000 0.267 1164 V C 0.184 176.408 176.094 0.217 0.000 1.047 1164 V CA -0.199 62.214 62.300 0.188 0.000 0.937 1164 V CB 1.155 33.092 31.823 0.190 0.000 0.999 1164 V HN 0.734 nan 8.190 nan 0.000 0.472 1165 V N 6.318 126.399 119.914 0.278 0.000 2.394 1165 V HA 0.478 4.598 4.120 -0.000 0.000 0.282 1165 V C -0.079 176.269 176.094 0.424 0.000 1.031 1165 V CA -0.445 62.060 62.300 0.342 0.000 0.881 1165 V CB 1.779 33.781 31.823 0.298 0.000 0.982 1165 V HN 0.599 nan 8.190 nan 0.000 0.451 1166 V N 3.930 124.085 119.914 0.403 0.000 2.531 1166 V HA 0.556 4.676 4.120 -0.000 0.000 0.301 1166 V C 0.098 176.428 176.094 0.393 0.000 1.034 1166 V CA -0.530 61.979 62.300 0.348 0.000 0.865 1166 V CB 2.266 34.232 31.823 0.239 0.000 0.995 1166 V HN 0.991 nan 8.190 nan 0.000 0.424 1167 T N 3.446 118.237 114.554 0.395 0.000 2.770 1167 T HA 0.792 5.142 4.350 -0.000 0.000 0.283 1167 T C -0.414 174.470 174.700 0.308 0.000 0.988 1167 T CA -0.498 61.850 62.100 0.414 0.000 0.957 1167 T CB 1.265 70.408 68.868 0.459 0.000 0.930 1167 T HN 0.681 nan 8.240 nan 0.000 0.443 1168 I N 0.329 121.061 120.570 0.269 0.000 2.822 1168 I HA 0.681 4.851 4.170 -0.000 0.000 0.312 1168 I C -0.614 175.732 176.117 0.383 0.000 1.011 1168 I CA -1.244 60.197 61.300 0.237 0.000 1.105 1168 I CB 1.943 39.976 38.000 0.056 0.000 1.291 1168 I HN 0.571 nan 8.210 nan 0.000 0.474 1169 Q N 1.860 121.927 119.800 0.445 0.000 2.416 1169 Q HA 0.604 4.944 4.340 -0.000 0.000 0.279 1169 Q C -1.903 174.404 176.000 0.512 0.000 1.101 1169 Q CA -0.789 55.267 55.803 0.422 0.000 0.830 1169 Q CB 2.842 31.738 28.738 0.262 0.000 1.402 1169 Q HN 0.723 nan 8.270 nan 0.000 0.445 1170 Y N -2.818 117.642 120.300 0.266 0.000 2.624 1170 Y HA 0.515 5.065 4.550 -0.000 0.000 0.334 1170 Y C -1.075 174.906 175.900 0.135 0.000 1.155 1170 Y CA -1.450 56.767 58.100 0.195 0.000 1.046 1170 Y CB 0.742 39.288 38.460 0.143 0.000 1.316 1170 Y HN 0.411 nan 8.280 nan 0.000 0.457 1171 R N 1.936 122.528 120.500 0.153 0.000 2.570 1171 R HA 0.433 4.772 4.340 -0.000 0.000 0.277 1171 R C -0.884 175.499 176.300 0.140 0.000 1.039 1171 R CA 0.044 56.187 56.100 0.072 0.000 1.065 1171 R CB 0.249 30.609 30.300 0.100 0.000 0.964 1171 R HN 0.666 nan 8.270 nan 0.000 0.428 1172 L N 1.201 122.523 121.223 0.165 0.000 2.286 1172 L HA 0.504 4.844 4.340 -0.000 0.000 0.265 1172 L C 1.274 178.425 176.870 0.469 0.000 1.012 1172 L CA -0.500 54.535 54.840 0.325 0.000 0.818 1172 L CB 1.560 43.706 42.059 0.144 0.000 1.337 1172 L HN 0.894 nan 8.230 nan 0.000 0.438 1173 G N 0.585 109.662 108.800 0.461 0.000 2.627 1173 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.312 1173 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.312 1173 G C 0.857 176.015 174.900 0.430 0.000 1.299 1173 G CA 0.655 45.972 45.100 0.362 0.000 0.989 1173 G HN 0.658 nan 8.290 nan 0.000 0.547 1174 I N -0.518 120.243 120.570 0.318 0.000 2.151 1174 I HA -0.225 3.945 4.170 -0.000 0.000 0.243 1174 I C 2.823 179.176 176.117 0.394 0.000 1.080 1174 I CA 2.494 63.931 61.300 0.228 0.000 1.339 1174 I CB -0.348 37.551 38.000 -0.168 0.000 1.039 1174 I HN 0.562 nan 8.210 nan 0.000 0.409 1175 W N 0.603 122.065 121.300 0.270 0.000 2.350 1175 W HA -0.100 4.560 4.660 0.001 0.000 0.289 1175 W C 2.335 178.965 176.519 0.185 0.000 1.215 1175 W CA 1.202 58.620 57.345 0.121 0.000 1.236 1175 W CB -0.773 28.666 29.460 -0.034 0.000 1.130 1175 W HN 0.258 nan 8.180 nan 0.000 0.541 1176 G N -2.256 106.768 108.800 0.373 0.000 2.833 1176 G HA2 0.051 4.011 3.960 -0.000 0.000 0.210 1176 G HA3 0.051 4.011 3.960 -0.000 0.000 0.210 1176 G C 0.605 175.059 174.900 -0.743 0.000 1.139 1176 G CA 0.105 45.126 45.100 -0.132 0.000 0.771 1176 G HN 0.141 nan 8.290 nan 0.000 0.535 1177 F N -0.959 119.214 119.950 0.372 0.000 2.936 1177 F HA 0.395 4.922 4.527 -0.000 0.000 0.334 1177 F C 0.098 175.986 175.800 0.145 0.000 1.170 1177 F CA -1.659 56.423 58.000 0.136 0.000 1.104 1177 F CB 0.185 39.186 39.000 0.001 0.000 1.216 1177 F HN -0.008 nan 8.300 nan 0.000 0.518 1178 F N 2.273 122.412 119.950 0.315 0.000 2.571 1178 F HA 0.380 4.906 4.527 -0.001 0.000 0.384 1178 F C 0.440 176.305 175.800 0.108 0.000 1.058 1178 F CA 0.308 58.384 58.000 0.127 0.000 1.200 1178 F CB 0.464 39.406 39.000 -0.096 0.000 1.077 1178 F HN -0.069 nan 8.300 nan 0.000 0.558 1179 S N 3.616 118.851 115.700 -0.776 0.000 2.538 1179 S HA 0.361 4.831 4.470 -0.000 0.000 0.288 1179 S C 0.411 174.595 174.600 -0.693 0.000 1.108 1179 S CA -0.090 57.774 58.200 -0.561 0.000 0.971 1179 S CB 1.425 64.450 63.200 -0.291 0.000 1.041 1179 S HN 0.800 nan 8.310 nan 0.000 0.483 1180 T N 0.825 115.129 114.554 -0.416 0.000 3.086 1180 T HA 0.386 4.736 4.350 -0.000 0.000 0.250 1180 T C 1.476 176.104 174.700 -0.121 0.000 1.074 1180 T CA 0.539 62.495 62.100 -0.240 0.000 0.988 1180 T CB 0.004 68.846 68.868 -0.042 0.000 0.988 1180 T HN 1.683 nan 8.240 nan 0.000 0.530 1181 G N 2.190 110.914 108.800 -0.127 0.000 2.179 1181 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.260 1181 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.260 1181 G C -0.234 174.635 174.900 -0.052 0.000 0.977 1181 G CA 0.385 45.434 45.100 -0.085 0.000 0.641 1181 G HN 0.896 nan 8.290 nan 0.000 0.533 1182 D N -1.703 118.677 120.400 -0.033 0.000 2.837 1182 D HA 0.499 5.138 4.640 -0.000 0.000 0.294 1182 D C 1.347 177.612 176.300 -0.058 0.000 1.158 1182 D CA -0.015 53.962 54.000 -0.038 0.000 1.073 1182 D CB -0.240 40.553 40.800 -0.013 0.000 1.419 1182 D HN 0.084 nan 8.370 nan 0.000 0.584 1183 E N -0.317 119.789 120.200 -0.157 0.000 2.338 1183 E HA -0.214 4.136 4.350 -0.000 0.000 0.197 1183 E C 0.926 177.438 176.600 -0.147 0.000 1.007 1183 E CA 1.147 57.447 56.400 -0.167 0.000 0.849 1183 E CB -0.572 28.996 29.700 -0.220 0.000 0.774 1183 E HN 0.518 nan 8.360 nan 0.000 0.506 1184 H N 0.463 119.591 119.070 0.097 0.000 2.470 1184 H HA 0.162 4.717 4.556 -0.000 0.000 0.289 1184 H C 0.372 175.812 175.328 0.187 0.000 1.033 1184 H CA 1.105 57.224 56.048 0.120 0.000 1.331 1184 H CB 0.474 30.291 29.762 0.091 0.000 1.414 1184 H HN 0.096 nan 8.280 nan 0.000 0.545 1185 S N -0.194 115.680 115.700 0.290 0.000 2.548 1185 S HA 0.217 4.687 4.470 -0.000 0.000 0.168 1185 S C 0.792 175.540 174.600 0.247 0.000 1.068 1185 S CA -0.584 57.874 58.200 0.430 0.000 1.129 1185 S CB 0.342 63.742 63.200 0.334 0.000 1.435 1185 S HN 0.162 nan 8.310 nan 0.000 0.410 1186 R N 1.627 122.238 120.500 0.185 0.000 2.083 1186 R HA 0.177 4.517 4.340 -0.000 0.000 0.237 1186 R C 1.434 177.517 176.300 -0.361 0.000 1.137 1186 R CA 1.329 57.356 56.100 -0.120 0.000 0.951 1186 R CB -0.231 29.982 30.300 -0.147 0.000 0.851 1186 R HN 0.843 nan 8.270 nan 0.000 0.434 1187 G N -0.620 107.654 108.800 -0.877 0.000 2.466 1187 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.316 1187 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.316 1187 G C -0.707 173.412 174.900 -1.301 0.000 1.270 1187 G CA -0.389 44.083 45.100 -1.047 0.000 0.982 1187 G HN 0.259 nan 8.290 nan 0.000 0.506 1188 N N -1.117 117.184 118.700 -0.663 0.000 2.714 1188 N HA -0.207 4.533 4.740 -0.000 0.000 0.250 1188 N C 1.134 176.359 175.510 -0.474 0.000 1.117 1188 N CA 2.014 54.861 53.050 -0.338 0.000 0.719 1188 N CB -1.583 36.853 38.487 -0.085 0.000 1.081 1188 N HN 0.720 nan 8.380 nan 0.000 0.557 1189 W N 0.417 121.578 121.300 -0.232 0.000 2.342 1189 W HA -0.063 4.597 4.660 -0.001 0.000 0.297 1189 W C 2.456 178.840 176.519 -0.225 0.000 1.213 1189 W CA 0.742 57.992 57.345 -0.158 0.000 1.251 1189 W CB -0.634 28.775 29.460 -0.085 0.000 1.136 1189 W HN 0.289 nan 8.180 nan 0.000 0.526 1190 G N -0.161 108.362 108.800 -0.461 0.000 2.422 1190 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.218 1190 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.218 1190 G C 1.238 176.113 174.900 -0.043 0.000 1.146 1190 G CA 1.241 46.215 45.100 -0.211 0.000 0.769 1190 G HN 0.296 nan 8.290 nan 0.000 0.547 1191 H N 0.254 119.342 119.070 0.030 0.000 2.428 1191 H HA 0.131 4.686 4.556 -0.000 0.000 0.296 1191 H C 2.696 178.031 175.328 0.013 0.000 1.062 1191 H CA 0.583 56.627 56.048 -0.007 0.000 1.350 1191 H CB -0.246 29.522 29.762 0.009 0.000 1.403 1191 H HN 0.270 nan 8.280 nan 0.000 0.533 1192 L N 0.488 121.808 121.223 0.163 0.000 2.131 1192 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 1192 L C 1.882 178.870 176.870 0.196 0.000 1.092 1192 L CA 0.936 55.876 54.840 0.167 0.000 0.759 1192 L CB -0.181 41.999 42.059 0.202 0.000 0.903 1192 L HN 0.113 nan 8.230 nan 0.000 0.435 1193 D N -0.199 120.334 120.400 0.223 0.000 2.149 1193 D HA -0.159 4.481 4.640 -0.000 0.000 0.201 1193 D C 2.273 178.726 176.300 0.255 0.000 0.972 1193 D CA 0.985 55.185 54.000 0.333 0.000 0.835 1193 D CB -0.055 40.973 40.800 0.381 0.000 0.966 1193 D HN 0.414 nan 8.370 nan 0.000 0.476 1194 Q N 0.203 120.073 119.800 0.116 0.000 2.119 1194 Q HA -0.061 4.279 4.340 -0.000 0.000 0.201 1194 Q C 2.346 178.330 176.000 -0.027 0.000 0.972 1194 Q CA 0.655 56.443 55.803 -0.024 0.000 0.847 1194 Q CB 0.118 28.787 28.738 -0.115 0.000 0.903 1194 Q HN 0.120 nan 8.270 nan 0.000 0.433 1195 V N 0.915 120.856 119.914 0.046 0.000 2.358 1195 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 1195 V C 2.233 178.375 176.094 0.080 0.000 1.047 1195 V CA 1.816 64.156 62.300 0.066 0.000 1.035 1195 V CB -0.850 31.031 31.823 0.096 0.000 0.658 1195 V HN 0.407 nan 8.190 nan 0.000 0.452 1196 A N -0.182 122.717 122.820 0.131 0.000 1.972 1196 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 1196 A C 2.369 180.008 177.584 0.092 0.000 1.169 1196 A CA 1.949 54.108 52.037 0.203 0.000 0.635 1196 A CB -0.614 18.601 19.000 0.359 0.000 0.810 1196 A HN 0.564 nan 8.150 nan 0.000 0.446 1197 A N -0.406 122.231 122.820 -0.305 0.000 1.929 1197 A HA 0.071 4.391 4.320 -0.000 0.000 0.216 1197 A C 2.095 179.588 177.584 -0.152 0.000 1.176 1197 A CA 1.250 52.828 52.037 -0.764 0.000 0.628 1197 A CB -0.473 17.806 19.000 -1.202 0.000 0.816 1197 A HN 0.455 nan 8.150 nan 0.000 0.444 1198 L N -1.305 119.885 121.223 -0.055 0.000 2.141 1198 L HA -0.088 4.252 4.340 -0.000 0.000 0.209 1198 L C 2.730 179.660 176.870 0.099 0.000 1.094 1198 L CA 1.333 56.201 54.840 0.047 0.000 0.763 1198 L CB -0.329 41.762 42.059 0.054 0.000 0.908 1198 L HN 0.423 nan 8.230 nan 0.000 0.437 1199 R N -0.632 119.936 120.500 0.113 0.000 2.090 1199 R HA -0.211 4.129 4.340 -0.000 0.000 0.228 1199 R C 2.208 178.596 176.300 0.147 0.000 1.110 1199 R CA 1.331 57.502 56.100 0.119 0.000 0.973 1199 R CB -0.300 30.079 30.300 0.131 0.000 0.869 1199 R HN 0.382 nan 8.270 nan 0.000 0.440 1200 W N 0.107 121.427 121.300 0.032 0.000 2.388 1200 W HA -0.160 4.500 4.660 -0.000 0.000 0.294 1200 W C 1.553 178.094 176.519 0.036 0.000 1.212 1200 W CA 1.103 58.485 57.345 0.061 0.000 1.271 1200 W CB -0.097 29.426 29.460 0.105 0.000 1.126 1200 W HN -0.158 nan 8.180 nan 0.000 0.535 1201 V N 1.002 121.102 119.914 0.310 0.000 2.295 1201 V HA -0.344 3.776 4.120 -0.000 0.000 0.246 1201 V C 2.570 178.663 176.094 -0.002 0.000 1.049 1201 V CA 2.067 64.477 62.300 0.184 0.000 1.024 1201 V CB -0.965 30.983 31.823 0.209 0.000 0.648 1201 V HN 0.199 nan 8.190 nan 0.000 0.447 1202 Q N -0.156 119.652 119.800 0.013 0.000 2.096 1202 Q HA -0.216 4.124 4.340 -0.000 0.000 0.204 1202 Q C 1.964 177.909 176.000 -0.090 0.000 0.982 1202 Q CA 1.751 57.547 55.803 -0.011 0.000 0.850 1202 Q CB -0.509 28.235 28.738 0.010 0.000 0.901 1202 Q HN 0.667 nan 8.270 nan 0.000 0.422 1203 D N -0.513 119.785 120.400 -0.171 0.000 2.323 1203 D HA -0.014 4.626 4.640 -0.000 0.000 0.209 1203 D C 1.054 177.130 176.300 -0.372 0.000 0.973 1203 D CA 0.514 54.365 54.000 -0.248 0.000 0.874 1203 D CB 0.103 40.746 40.800 -0.261 0.000 0.930 1203 D HN 0.297 nan 8.370 nan 0.000 0.521 1204 N N -0.222 118.157 118.700 -0.534 0.000 2.211 1204 N HA 0.024 4.764 4.740 -0.000 0.000 0.216 1204 N C 1.516 176.904 175.510 -0.204 0.000 1.240 1204 N CA -0.198 52.507 53.050 -0.574 0.000 0.895 1204 N CB 0.980 38.650 38.487 -1.362 0.000 1.102 1204 N HN -0.015 nan 8.380 nan 0.000 0.498 1205 I N 2.700 123.204 120.570 -0.111 0.000 2.423 1205 I HA -0.151 4.019 4.170 -0.000 0.000 0.254 1205 I C 2.233 178.446 176.117 0.161 0.000 1.151 1205 I CA 0.716 62.096 61.300 0.133 0.000 1.421 1205 I CB -0.293 37.774 38.000 0.111 0.000 1.079 1205 I HN 0.069 nan 8.210 nan 0.000 0.431 1206 A N -0.979 121.864 122.820 0.038 0.000 1.978 1206 A HA -0.199 4.121 4.320 -0.000 0.000 0.220 1206 A C 2.407 179.980 177.584 -0.018 0.000 1.170 1206 A CA 2.046 54.090 52.037 0.012 0.000 0.636 1206 A CB -0.890 18.091 19.000 -0.031 0.000 0.810 1206 A HN 0.463 nan 8.150 nan 0.000 0.448 1207 S N -1.114 114.536 115.700 -0.084 0.000 2.481 1207 S HA 0.020 4.490 4.470 -0.000 0.000 0.231 1207 S C 0.693 175.029 174.600 -0.440 0.000 0.996 1207 S CA 0.738 58.768 58.200 -0.284 0.000 0.942 1207 S CB -0.358 62.576 63.200 -0.444 0.000 0.768 1207 S HN 0.582 nan 8.310 nan 0.000 0.520 1208 F N 0.726 120.651 119.950 -0.041 0.000 2.639 1208 F HA 0.390 4.917 4.527 -0.000 0.000 0.302 1208 F C 1.617 177.452 175.800 0.058 0.000 1.097 1208 F CA -0.138 57.859 58.000 -0.006 0.000 1.294 1208 F CB 0.059 39.045 39.000 -0.022 0.000 1.027 1208 F HN 0.222 nan 8.300 nan 0.000 0.550 1209 G N 0.406 109.291 108.800 0.141 0.000 2.136 1209 G HA2 -0.163 3.796 3.960 -0.000 0.000 0.242 1209 G HA3 -0.163 3.796 3.960 -0.000 0.000 0.242 1209 G C 0.542 175.517 174.900 0.124 0.000 0.989 1209 G CA -0.187 44.985 45.100 0.120 0.000 0.682 1209 G HN 0.750 nan 8.290 nan 0.000 0.522 1210 G N -0.631 108.254 108.800 0.142 0.000 2.462 1210 G HA2 0.532 4.492 3.960 -0.000 0.000 0.319 1210 G HA3 0.532 4.492 3.960 -0.000 0.000 0.319 1210 G C -0.392 174.555 174.900 0.078 0.000 1.171 1210 G CA -0.127 45.047 45.100 0.123 0.000 0.920 1210 G HN 0.628 nan 8.290 nan 0.000 0.499 1211 N N 0.875 119.614 118.700 0.065 0.000 2.558 1211 N HA 0.329 5.069 4.740 -0.000 0.000 0.242 1211 N C -1.237 174.302 175.510 0.047 0.000 0.979 1211 N CA -2.421 50.649 53.050 0.034 0.000 0.931 1211 N CB 2.157 40.648 38.487 0.008 0.000 1.122 1211 N HN 0.092 nan 8.380 nan 0.000 0.508 1212 P HA -0.043 nan 4.420 nan 0.000 0.226 1212 P C 0.961 178.337 177.300 0.125 0.000 1.146 1212 P CA 0.755 63.905 63.100 0.083 0.000 0.773 1212 P CB 0.124 31.848 31.700 0.040 0.000 0.772 1213 G N -0.714 108.084 108.800 -0.003 0.000 2.712 1213 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.212 1213 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.212 1213 G C 0.602 175.189 174.900 -0.521 0.000 1.142 1213 G CA 0.195 45.176 45.100 -0.197 0.000 0.789 1213 G HN 0.398 nan 8.290 nan 0.000 0.535 1214 S N 0.104 115.721 115.700 -0.139 0.000 2.279 1214 S HA 0.506 4.975 4.470 -0.000 0.000 0.176 1214 S C -1.043 173.677 174.600 0.199 0.000 1.554 1214 S CA -0.475 57.701 58.200 -0.041 0.000 1.242 1214 S CB 0.580 63.739 63.200 -0.070 0.000 1.163 1214 S HN -0.056 nan 8.310 nan 0.000 0.449 1215 V N 3.976 124.181 119.914 0.484 0.000 2.384 1215 V HA 0.539 4.659 4.120 -0.000 0.000 0.287 1215 V C 0.174 176.409 176.094 0.235 0.000 1.020 1215 V CA -0.443 62.025 62.300 0.280 0.000 0.850 1215 V CB 1.808 33.764 31.823 0.222 0.000 0.987 1215 V HN 0.714 nan 8.190 nan 0.000 0.436 1216 T N 6.434 121.090 114.554 0.169 0.000 2.797 1216 T HA 0.649 4.999 4.350 -0.000 0.000 0.279 1216 T C -0.203 174.604 174.700 0.178 0.000 0.991 1216 T CA -0.189 61.999 62.100 0.146 0.000 0.979 1216 T CB 1.048 69.948 68.868 0.055 0.000 0.943 1216 T HN 0.628 nan 8.240 nan 0.000 0.444 1217 I N 1.555 122.209 120.570 0.140 0.000 2.377 1217 I HA 0.860 5.030 4.170 -0.000 0.000 0.293 1217 I C -1.002 175.279 176.117 0.274 0.000 0.987 1217 I CA -1.099 60.279 61.300 0.131 0.000 1.185 1217 I CB 1.077 38.945 38.000 -0.220 0.000 1.341 1217 I HN 0.468 nan 8.210 nan 0.000 0.455 1218 F N 3.187 123.153 119.950 0.026 0.000 2.613 1218 F HA 1.027 5.554 4.527 -0.000 0.000 0.310 1218 F C -0.373 175.339 175.800 -0.146 0.000 1.085 1218 F CA -1.673 56.371 58.000 0.074 0.000 0.945 1218 F CB 1.358 40.534 39.000 0.293 0.000 1.298 1218 F HN 0.817 nan 8.300 nan 0.000 0.455 1219 G N 0.743 109.370 108.800 -0.289 0.000 2.601 1219 G HA2 0.484 4.444 3.960 -0.000 0.000 0.291 1219 G HA3 0.484 4.444 3.960 -0.000 0.000 0.291 1219 G C -2.524 172.140 174.900 -0.394 0.000 1.456 1219 G CA -0.810 43.716 45.100 -0.956 0.000 0.804 1219 G HN 0.879 nan 8.290 nan 0.000 0.499 1220 E N 0.428 120.388 120.200 -0.400 0.000 2.199 1220 E HA 0.635 4.985 4.350 -0.000 0.000 0.269 1220 E C 0.563 177.177 176.600 0.025 0.000 0.899 1220 E CA 0.158 56.552 56.400 -0.010 0.000 0.772 1220 E CB 1.970 31.773 29.700 0.172 0.000 1.155 1220 E HN 0.641 nan 8.360 nan 0.000 0.408 1221 S N 2.105 117.880 115.700 0.125 0.000 4.116 1221 S HA -0.367 4.103 4.470 -0.000 0.000 0.623 1221 S C 1.359 176.039 174.600 0.134 0.000 1.933 1221 S CA 1.418 59.777 58.200 0.266 0.000 4.224 1221 S CB -1.551 61.893 63.200 0.407 0.000 0.208 1221 S HN 0.894 nan 8.310 nan 0.000 0.527 1222 A N 0.868 123.756 122.820 0.113 0.000 2.024 1222 A HA 0.102 4.422 4.320 -0.000 0.000 0.220 1222 A C 2.295 179.833 177.584 -0.077 0.000 1.164 1222 A CA 2.528 54.575 52.037 0.015 0.000 0.643 1222 A CB -1.392 17.623 19.000 0.025 0.000 0.806 1222 A HN 1.422 nan 8.150 nan 0.000 0.451 1223 G N -0.743 107.976 108.800 -0.134 0.000 2.408 1223 G HA2 0.086 4.046 3.960 -0.000 0.000 0.217 1223 G HA3 0.086 4.046 3.960 -0.000 0.000 0.217 1223 G C 1.457 176.194 174.900 -0.271 0.000 1.150 1223 G CA 1.129 46.035 45.100 -0.323 0.000 0.776 1223 G HN 0.665 nan 8.290 nan 0.000 0.542 1224 G N 0.257 108.970 108.800 -0.144 0.000 2.403 1224 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.216 1224 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.216 1224 G C 1.551 176.414 174.900 -0.063 0.000 1.154 1224 G CA 1.047 46.106 45.100 -0.068 0.000 0.784 1224 G HN 0.426 nan 8.290 nan 0.000 0.538 1225 E N 1.008 121.173 120.200 -0.058 0.000 2.150 1225 E HA -0.083 4.267 4.350 -0.000 0.000 0.193 1225 E C 2.488 179.005 176.600 -0.139 0.000 0.985 1225 E CA 1.067 57.420 56.400 -0.078 0.000 0.814 1225 E CB -0.181 29.480 29.700 -0.064 0.000 0.752 1225 E HN 0.335 nan 8.360 nan 0.000 0.466 1226 S N 0.180 115.789 115.700 -0.151 0.000 2.368 1226 S HA -0.112 4.358 4.470 -0.000 0.000 0.224 1226 S C 2.139 176.567 174.600 -0.285 0.000 1.029 1226 S CA 1.081 59.157 58.200 -0.207 0.000 0.988 1226 S CB -0.234 62.837 63.200 -0.216 0.000 0.838 1226 S HN 0.129 nan 8.310 nan 0.000 0.462 1227 V N 1.295 121.049 119.914 -0.267 0.000 2.287 1227 V HA -0.191 3.929 4.120 -0.000 0.000 0.248 1227 V C 2.602 178.510 176.094 -0.310 0.000 1.053 1227 V CA 2.089 64.200 62.300 -0.316 0.000 1.027 1227 V CB -0.834 30.855 31.823 -0.222 0.000 0.646 1227 V HN 0.530 nan 8.190 nan 0.000 0.447 1228 S N -0.731 114.857 115.700 -0.186 0.000 2.383 1228 S HA -0.173 4.297 4.470 -0.000 0.000 0.229 1228 S C 1.940 176.416 174.600 -0.207 0.000 1.030 1228 S CA 1.795 59.912 58.200 -0.138 0.000 1.002 1228 S CB -0.193 62.983 63.200 -0.040 0.000 0.829 1228 S HN 0.344 nan 8.310 nan 0.000 0.467 1229 V N 1.916 121.677 119.914 -0.254 0.000 2.358 1229 V HA -0.116 4.003 4.120 -0.000 0.000 0.246 1229 V C 2.295 178.229 176.094 -0.266 0.000 1.047 1229 V CA 1.631 63.749 62.300 -0.303 0.000 1.035 1229 V CB -0.615 30.900 31.823 -0.513 0.000 0.658 1229 V HN 0.475 nan 8.190 nan 0.000 0.452 1230 L N -0.548 120.509 121.223 -0.275 0.000 2.131 1230 L HA -0.127 4.213 4.340 -0.000 0.000 0.210 1230 L C 2.394 179.271 176.870 0.011 0.000 1.092 1230 L CA 0.907 55.644 54.840 -0.171 0.000 0.759 1230 L CB -0.548 41.309 42.059 -0.338 0.000 0.903 1230 L HN 0.202 nan 8.230 nan 0.000 0.435 1231 V N 0.028 119.903 119.914 -0.066 0.000 2.626 1231 V HA -0.214 3.906 4.120 -0.000 0.000 0.252 1231 V C 1.973 177.966 176.094 -0.168 0.000 1.067 1231 V CA 1.317 63.652 62.300 0.060 0.000 1.081 1231 V CB -0.187 31.541 31.823 -0.158 0.000 0.686 1231 V HN 0.395 nan 8.190 nan 0.000 0.468 1232 L N -0.872 120.242 121.223 -0.182 0.000 2.607 1232 L HA 0.220 4.560 4.340 -0.000 0.000 0.228 1232 L C 0.943 177.709 176.870 -0.173 0.000 1.123 1232 L CA 0.172 54.923 54.840 -0.148 0.000 0.890 1232 L CB 0.268 42.256 42.059 -0.118 0.000 1.103 1232 L HN 0.187 nan 8.230 nan 0.000 0.468 1233 S N -0.212 115.364 115.700 -0.206 0.000 2.451 1233 S HA 0.372 4.842 4.470 -0.000 0.000 0.301 1233 S C -1.816 172.766 174.600 -0.031 0.000 1.116 1233 S CA -1.437 56.701 58.200 -0.102 0.000 1.093 1233 S CB 1.507 64.673 63.200 -0.057 0.000 1.017 1233 S HN -0.143 nan 8.310 nan 0.000 0.482 1234 P HA 0.032 nan 4.420 nan 0.000 0.221 1234 P C 1.088 178.465 177.300 0.128 0.000 1.150 1234 P CA 0.757 63.923 63.100 0.111 0.000 0.800 1234 P CB 0.081 31.816 31.700 0.057 0.000 0.787 1235 L N -1.395 119.887 121.223 0.098 0.000 2.291 1235 L HA -0.031 4.309 4.340 -0.000 0.000 0.214 1235 L C 1.974 178.923 176.870 0.132 0.000 1.120 1235 L CA 1.008 55.905 54.840 0.096 0.000 0.799 1235 L CB -0.741 41.363 42.059 0.076 0.000 0.925 1235 L HN -0.048 nan 8.230 nan 0.000 0.446 1236 A N -0.472 122.478 122.820 0.217 0.000 2.379 1236 A HA 0.040 4.360 4.320 -0.000 0.000 0.236 1236 A C 0.886 178.592 177.584 0.204 0.000 1.272 1236 A CA -0.275 51.942 52.037 0.299 0.000 0.886 1236 A CB -0.213 19.069 19.000 0.471 0.000 0.962 1236 A HN 0.153 nan 8.150 nan 0.000 0.504 1237 K N 1.278 121.729 120.400 0.086 0.000 2.448 1237 K HA -0.011 4.309 4.320 -0.000 0.000 0.278 1237 K C -0.136 176.301 176.600 -0.272 0.000 1.009 1237 K CA 0.252 56.368 56.287 -0.283 0.000 0.995 1237 K CB 0.033 32.467 32.500 -0.109 0.000 0.917 1237 K HN 0.398 nan 8.250 nan 0.000 0.481 1238 N N 2.281 120.719 118.700 -0.438 0.000 2.753 1238 N HA -0.227 4.513 4.740 -0.000 0.000 0.251 1238 N C 0.289 175.647 175.510 -0.253 0.000 1.097 1238 N CA 1.070 53.938 53.050 -0.304 0.000 0.786 1238 N CB -1.122 37.275 38.487 -0.150 0.000 1.137 1238 N HN 0.602 nan 8.380 nan 0.000 0.566 1239 L N -1.227 119.844 121.223 -0.254 0.000 2.513 1239 L HA 0.225 4.565 4.340 -0.000 0.000 0.222 1239 L C 0.481 177.325 176.870 -0.044 0.000 1.096 1239 L CA 0.378 55.187 54.840 -0.053 0.000 0.857 1239 L CB 0.032 42.170 42.059 0.132 0.000 1.026 1239 L HN 0.171 nan 8.230 nan 0.000 0.469 1240 F N -4.141 115.554 119.950 -0.425 0.000 2.645 1240 F HA 0.474 5.001 4.527 -0.000 0.000 0.310 1240 F C 0.423 175.817 175.800 -0.678 0.000 1.102 1240 F CA -0.996 56.722 58.000 -0.470 0.000 0.952 1240 F CB 0.793 39.691 39.000 -0.171 0.000 1.326 1240 F HN -0.116 nan 8.300 nan 0.000 0.456 1241 H N -0.154 118.960 119.070 0.073 0.000 3.170 1241 H HA 0.435 4.991 4.556 -0.000 0.000 0.264 1241 H C -0.423 174.916 175.328 0.019 0.000 1.113 1241 H CA -0.154 55.866 56.048 -0.047 0.000 1.194 1241 H CB 0.829 30.554 29.762 -0.061 0.000 1.553 1241 H HN 0.520 nan 8.280 nan 0.000 0.538 1242 R N 0.420 121.052 120.500 0.221 0.000 2.680 1242 R HA 0.734 5.074 4.340 -0.000 0.000 0.269 1242 R C -1.382 175.096 176.300 0.296 0.000 1.026 1242 R CA -0.773 55.420 56.100 0.155 0.000 0.889 1242 R CB 2.627 32.855 30.300 -0.120 0.000 1.241 1242 R HN 0.097 nan 8.270 nan 0.000 0.463 1243 A N 2.283 125.314 122.820 0.351 0.000 2.515 1243 A HA 0.788 5.108 4.320 -0.000 0.000 0.298 1243 A C -1.158 176.605 177.584 0.297 0.000 1.059 1243 A CA -0.706 51.435 52.037 0.174 0.000 0.698 1243 A CB 1.375 20.248 19.000 -0.212 0.000 1.289 1243 A HN 0.616 nan 8.150 nan 0.000 0.404 1244 I N 1.306 121.995 120.570 0.200 0.000 2.512 1244 I HA 0.339 4.509 4.170 -0.000 0.000 0.287 1244 I C -0.283 175.965 176.117 0.218 0.000 1.069 1244 I CA -0.314 61.077 61.300 0.151 0.000 1.056 1244 I CB 2.302 40.299 38.000 -0.006 0.000 1.229 1244 I HN 0.475 nan 8.210 nan 0.000 0.429 1245 S N 5.102 120.934 115.700 0.221 0.000 2.474 1245 S HA 0.376 4.846 4.470 -0.000 0.000 0.321 1245 S C -0.510 174.161 174.600 0.118 0.000 1.080 1245 S CA -0.597 57.688 58.200 0.143 0.000 1.106 1245 S CB 1.024 64.301 63.200 0.127 0.000 0.984 1245 S HN 0.482 nan 8.310 nan 0.000 0.464 1246 E N 1.758 122.058 120.200 0.166 0.000 2.113 1246 E HA 0.346 4.696 4.350 -0.000 0.000 0.273 1246 E C -0.436 176.230 176.600 0.111 0.000 0.924 1246 E CA -0.522 56.010 56.400 0.221 0.000 0.764 1246 E CB 1.158 31.075 29.700 0.361 0.000 1.104 1246 E HN 0.620 nan 8.360 nan 0.000 0.406 1247 S N 2.014 117.749 115.700 0.058 0.000 3.608 1247 S HA -0.146 4.324 4.470 -0.000 0.000 0.382 1247 S C 0.032 174.792 174.600 0.266 0.000 0.945 1247 S CA 0.595 58.825 58.200 0.050 0.000 1.256 1247 S CB -1.092 62.051 63.200 -0.095 0.000 0.913 1247 S HN 0.948 nan 8.310 nan 0.000 0.518 1248 G N -0.927 108.020 108.800 0.246 0.000 2.146 1248 G HA2 0.487 4.447 3.960 -0.000 0.000 0.261 1248 G HA3 0.487 4.447 3.960 -0.000 0.000 0.261 1248 G C -0.842 174.101 174.900 0.071 0.000 1.745 1248 G CA 0.011 45.252 45.100 0.235 0.000 0.905 1248 G HN 1.472 nan 8.290 nan 0.000 0.746 1249 V N -0.480 119.442 119.914 0.012 0.000 3.167 1249 V HA 0.937 5.057 4.120 -0.000 0.000 0.310 1249 V C 1.324 177.369 176.094 -0.081 0.000 1.207 1249 V CA -0.058 62.218 62.300 -0.039 0.000 1.059 1249 V CB 1.269 33.052 31.823 -0.068 0.000 1.079 1249 V HN 2.119 nan 8.190 nan 0.000 0.446 1250 A N -0.191 122.571 122.820 -0.097 0.000 2.178 1250 A HA 0.170 4.490 4.320 -0.000 0.000 0.218 1250 A C 1.535 179.040 177.584 -0.132 0.000 1.157 1250 A CA 1.345 53.308 52.037 -0.123 0.000 0.689 1250 A CB -0.697 18.223 19.000 -0.134 0.000 0.787 1250 A HN 0.805 nan 8.150 nan 0.000 0.465 1251 L N -0.316 120.828 121.223 -0.132 0.000 2.592 1251 L HA 0.044 4.384 4.340 -0.000 0.000 0.227 1251 L C 0.254 177.007 176.870 -0.195 0.000 1.127 1251 L CA 0.128 54.877 54.840 -0.152 0.000 0.884 1251 L CB -0.134 41.845 42.059 -0.134 0.000 1.065 1251 L HN 0.123 nan 8.230 nan 0.000 0.457 1252 T N 0.583 115.019 114.554 -0.197 0.000 3.474 1252 T HA 0.011 4.361 4.350 -0.000 0.000 0.270 1252 T C 1.556 176.103 174.700 -0.254 0.000 1.079 1252 T CA 0.382 62.321 62.100 -0.268 0.000 1.110 1252 T CB 0.345 69.059 68.868 -0.257 0.000 1.087 1252 T HN 0.451 nan 8.240 nan 0.000 0.784 1253 S N 2.714 118.250 115.700 -0.273 0.000 2.426 1253 S HA -0.229 4.241 4.470 -0.000 0.000 0.253 1253 S C 2.159 176.626 174.600 -0.223 0.000 1.104 1253 S CA 1.840 59.887 58.200 -0.255 0.000 1.158 1253 S CB -1.014 61.999 63.200 -0.311 0.000 1.043 1253 S HN 0.484 nan 8.310 nan 0.000 0.443 1254 V N 1.507 121.279 119.914 -0.236 0.000 2.546 1254 V HA -0.106 4.014 4.120 -0.000 0.000 0.254 1254 V C 2.150 178.150 176.094 -0.157 0.000 1.076 1254 V CA 2.217 64.406 62.300 -0.185 0.000 1.087 1254 V CB -0.563 31.154 31.823 -0.176 0.000 0.674 1254 V HN 0.661 nan 8.190 nan 0.000 0.470 1255 L N -0.653 120.470 121.223 -0.166 0.000 2.529 1255 L HA 0.174 4.514 4.340 -0.000 0.000 0.223 1255 L C 0.367 177.142 176.870 -0.159 0.000 1.113 1255 L CA -0.019 54.723 54.840 -0.164 0.000 0.861 1255 L CB 0.367 42.338 42.059 -0.147 0.000 1.012 1255 L HN 0.098 nan 8.230 nan 0.000 0.461 1256 V N 1.282 121.108 119.914 -0.147 0.000 2.334 1256 V HA 0.233 4.353 4.120 -0.000 0.000 0.281 1256 V C -0.070 175.954 176.094 -0.117 0.000 1.016 1256 V CA -0.951 61.273 62.300 -0.126 0.000 0.832 1256 V CB 1.284 33.031 31.823 -0.127 0.000 0.999 1256 V HN 0.034 nan 8.190 nan 0.000 0.439 1257 K N 4.898 125.238 120.400 -0.101 0.000 2.338 1257 K HA 0.347 4.667 4.320 -0.000 0.000 0.290 1257 K C -0.220 176.333 176.600 -0.079 0.000 1.069 1257 K CA 0.022 56.258 56.287 -0.086 0.000 0.941 1257 K CB 0.662 33.115 32.500 -0.078 0.000 1.023 1257 K HN 0.570 nan 8.250 nan 0.000 0.477 1258 K N 0.999 121.353 120.400 -0.077 0.000 2.221 1258 K HA 0.605 4.925 4.320 -0.000 0.000 0.258 1258 K C 0.362 176.932 176.600 -0.051 0.000 0.944 1258 K CA -0.490 55.756 56.287 -0.068 0.000 0.823 1258 K CB 1.812 34.265 32.500 -0.079 0.000 1.113 1258 K HN 0.755 nan 8.250 nan 0.000 0.431 1259 G N 2.036 110.810 108.800 -0.043 0.000 2.416 1259 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.203 1259 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.203 1259 G C -1.551 173.330 174.900 -0.033 0.000 1.227 1259 G CA -0.709 44.373 45.100 -0.031 0.000 1.041 1259 G HN 0.624 nan 8.290 nan 0.000 0.546 1260 D N 0.382 120.767 120.400 -0.025 0.000 2.295 1260 D HA 0.468 5.108 4.640 -0.000 0.000 0.248 1260 D C 1.676 177.955 176.300 -0.034 0.000 1.154 1260 D CA 0.463 54.446 54.000 -0.028 0.000 0.857 1260 D CB 1.471 42.261 40.800 -0.017 0.000 1.117 1260 D HN 1.184 nan 8.370 nan 0.000 0.468 1261 V N 2.099 121.981 119.914 -0.052 0.000 3.506 1261 V HA 0.114 4.234 4.120 -0.000 0.000 0.263 1261 V C 2.039 178.089 176.094 -0.073 0.000 1.203 1261 V CA 0.383 62.642 62.300 -0.069 0.000 1.133 1261 V CB -0.301 31.460 31.823 -0.102 0.000 0.802 1261 V HN 0.307 nan 8.190 nan 0.000 0.459 1262 K N 2.191 122.557 120.400 -0.057 0.000 2.059 1262 K HA -0.091 4.229 4.320 -0.000 0.000 0.212 1262 K C -0.113 176.476 176.600 -0.019 0.000 1.050 1262 K CA 2.583 58.844 56.287 -0.043 0.000 0.927 1262 K CB -1.711 30.777 32.500 -0.020 0.000 0.714 1262 K HN 0.447 nan 8.250 nan 0.000 0.447 1263 P HA -0.186 nan 4.420 nan 0.000 0.216 1263 P C 1.394 178.707 177.300 0.022 0.000 1.153 1263 P CA 1.131 64.236 63.100 0.008 0.000 0.858 1263 P CB 0.003 31.707 31.700 0.006 0.000 0.789 1264 L N -1.203 120.031 121.223 0.018 0.000 2.056 1264 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 1264 L C 2.172 179.091 176.870 0.080 0.000 1.078 1264 L CA 1.702 56.574 54.840 0.053 0.000 0.749 1264 L CB -0.815 41.270 42.059 0.044 0.000 0.901 1264 L HN -0.043 nan 8.230 nan 0.000 0.433 1265 A N -0.193 122.637 122.820 0.016 0.000 1.902 1265 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 1265 A C 2.005 179.704 177.584 0.191 0.000 1.181 1265 A CA 1.797 53.874 52.037 0.067 0.000 0.623 1265 A CB -0.502 18.386 19.000 -0.186 0.000 0.818 1265 A HN 0.544 nan 8.150 nan 0.000 0.443 1266 E N -0.934 119.324 120.200 0.097 0.000 2.110 1266 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 1266 E C 2.209 178.854 176.600 0.076 0.000 0.988 1266 E CA 1.254 57.704 56.400 0.083 0.000 0.804 1266 E CB -0.123 29.605 29.700 0.047 0.000 0.745 1266 E HN 0.815 nan 8.360 nan 0.000 0.458 1267 Q N 0.568 120.412 119.800 0.075 0.000 2.224 1267 Q HA -0.124 4.216 4.340 -0.000 0.000 0.203 1267 Q C 1.986 178.029 176.000 0.071 0.000 0.970 1267 Q CA 0.875 56.712 55.803 0.058 0.000 0.865 1267 Q CB 0.126 28.894 28.738 0.050 0.000 0.922 1267 Q HN 0.302 nan 8.270 nan 0.000 0.445 1268 I N 0.183 120.831 120.570 0.130 0.000 2.333 1268 I HA -0.174 3.996 4.170 -0.000 0.000 0.246 1268 I C 2.358 178.505 176.117 0.050 0.000 1.106 1268 I CA 0.802 62.182 61.300 0.134 0.000 1.411 1268 I CB -0.324 37.836 38.000 0.265 0.000 1.082 1268 I HN 0.256 nan 8.210 nan 0.000 0.420 1269 A N 1.098 123.954 122.820 0.060 0.000 1.902 1269 A HA -0.171 4.148 4.320 -0.000 0.000 0.217 1269 A C 2.299 179.878 177.584 -0.008 0.000 1.181 1269 A CA 1.440 53.472 52.037 -0.008 0.000 0.623 1269 A CB -0.802 18.213 19.000 0.025 0.000 0.818 1269 A HN 0.352 nan 8.150 nan 0.000 0.443 1270 I N -0.358 120.219 120.570 0.012 0.000 2.179 1270 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 1270 I C 2.516 178.628 176.117 -0.008 0.000 1.088 1270 I CA 1.825 63.126 61.300 0.002 0.000 1.357 1270 I CB -0.593 37.412 38.000 0.008 0.000 1.051 1270 I HN 0.269 nan 8.210 nan 0.000 0.409 1271 T N 0.663 115.212 114.554 -0.008 0.000 2.833 1271 T HA -0.110 4.240 4.350 -0.000 0.000 0.269 1271 T C 1.734 176.420 174.700 -0.025 0.000 1.054 1271 T CA 1.342 63.431 62.100 -0.019 0.000 1.135 1271 T CB -0.219 68.635 68.868 -0.022 0.000 0.869 1271 T HN 0.474 nan 8.240 nan 0.000 0.466 1272 A N 0.328 123.129 122.820 -0.032 0.000 2.238 1272 A HA 0.523 4.843 4.320 -0.000 0.000 0.208 1272 A C 1.808 179.367 177.584 -0.041 0.000 1.177 1272 A CA 0.662 52.671 52.037 -0.047 0.000 0.804 1272 A CB -0.706 18.246 19.000 -0.081 0.000 0.823 1272 A HN 0.721 nan 8.150 nan 0.000 0.482 1273 G N -1.759 107.023 108.800 -0.030 0.000 2.149 1273 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.235 1273 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.235 1273 G C 0.107 174.991 174.900 -0.026 0.000 1.018 1273 G CA 0.078 45.163 45.100 -0.025 0.000 0.728 1273 G HN 0.582 nan 8.290 nan 0.000 0.508 1274 c N 0.670 119.253 118.600 -0.029 0.000 2.365 1274 c HA 0.733 5.303 4.570 -0.000 0.000 0.349 1274 c C 0.777 174.861 174.090 -0.009 0.000 1.191 1274 c CA -1.172 55.142 56.329 -0.026 0.000 2.114 1274 c CB 1.528 44.011 42.510 -0.046 0.000 2.367 1274 c HN 0.428 nan 8.230 nan 0.000 0.530 1275 K N 1.280 121.679 120.400 -0.002 0.000 2.202 1275 K HA 0.297 4.617 4.320 -0.000 0.000 0.264 1275 K C 0.801 177.408 176.600 0.012 0.000 1.010 1275 K CA 0.204 56.494 56.287 0.005 0.000 0.940 1275 K CB 0.738 33.242 32.500 0.007 0.000 0.983 1275 K HN 0.887 nan 8.250 nan 0.000 0.475 1276 T N -2.573 111.990 114.554 0.015 0.000 3.266 1276 T HA 0.075 4.425 4.350 -0.000 0.000 0.278 1276 T C 1.035 175.745 174.700 0.017 0.000 1.010 1276 T CA -0.338 61.775 62.100 0.023 0.000 0.909 1276 T CB -0.106 68.778 68.868 0.027 0.000 1.122 1276 T HN 0.366 nan 8.240 nan 0.000 0.536 1277 T N 2.770 117.330 114.554 0.010 0.000 2.635 1277 T HA -0.049 4.301 4.350 -0.000 0.000 0.267 1277 T C 1.204 175.905 174.700 0.001 0.000 1.040 1277 T CA 2.000 64.103 62.100 0.004 0.000 1.156 1277 T CB -0.454 68.413 68.868 -0.001 0.000 0.863 1277 T HN 0.845 nan 8.240 nan 0.000 0.430 1278 T N -2.264 112.286 114.554 -0.005 0.000 2.841 1278 T HA 0.507 4.857 4.350 -0.000 0.000 0.296 1278 T C 0.961 175.652 174.700 -0.015 0.000 1.166 1278 T CA -0.444 61.647 62.100 -0.016 0.000 1.007 1278 T CB 1.796 70.633 68.868 -0.052 0.000 1.253 1278 T HN -0.140 nan 8.240 nan 0.000 0.511 1279 S N 0.438 116.135 115.700 -0.005 0.000 2.368 1279 S HA -0.042 4.428 4.470 -0.000 0.000 0.225 1279 S C 2.458 177.030 174.600 -0.045 0.000 1.030 1279 S CA 1.383 59.606 58.200 0.038 0.000 0.999 1279 S CB -0.950 62.352 63.200 0.172 0.000 0.844 1279 S HN 0.945 nan 8.310 nan 0.000 0.459 1280 A N 0.962 123.589 122.820 -0.320 0.000 1.972 1280 A HA -0.034 4.286 4.320 -0.000 0.000 0.219 1280 A C 2.313 179.850 177.584 -0.079 0.000 1.169 1280 A CA 1.337 53.174 52.037 -0.334 0.000 0.635 1280 A CB -0.773 17.880 19.000 -0.578 0.000 0.810 1280 A HN 0.348 nan 8.150 nan 0.000 0.446 1281 V N -0.101 119.779 119.914 -0.057 0.000 2.307 1281 V HA -0.313 3.807 4.120 -0.000 0.000 0.245 1281 V C 2.630 178.752 176.094 0.047 0.000 1.045 1281 V CA 2.223 64.533 62.300 0.016 0.000 1.024 1281 V CB -0.692 31.131 31.823 0.000 0.000 0.651 1281 V HN 0.586 nan 8.190 nan 0.000 0.449 1282 M N -0.585 119.036 119.600 0.035 0.000 2.065 1282 M HA -0.183 4.297 4.480 -0.000 0.000 0.259 1282 M C 2.230 178.522 176.300 -0.014 0.000 1.069 1282 M CA 1.876 57.197 55.300 0.034 0.000 1.110 1282 M CB -0.663 32.007 32.600 0.115 0.000 1.328 1282 M HN 0.230 nan 8.290 nan 0.000 0.405 1283 V N -0.407 119.534 119.914 0.044 0.000 2.287 1283 V HA -0.315 3.805 4.120 -0.000 0.000 0.248 1283 V C 2.315 178.443 176.094 0.056 0.000 1.053 1283 V CA 2.500 64.809 62.300 0.016 0.000 1.027 1283 V CB -1.140 30.760 31.823 0.128 0.000 0.646 1283 V HN 0.498 nan 8.190 nan 0.000 0.447 1284 H N -0.624 118.445 119.070 -0.002 0.000 2.319 1284 H HA -0.221 4.334 4.556 -0.000 0.000 0.299 1284 H C 2.375 177.697 175.328 -0.010 0.000 1.092 1284 H CA 2.292 58.341 56.048 0.002 0.000 1.302 1284 H CB -0.687 29.067 29.762 -0.014 0.000 1.373 1284 H HN 0.469 nan 8.280 nan 0.000 0.497 1285 c N -0.036 118.510 118.600 -0.090 0.000 2.432 1285 c HA -0.092 4.478 4.570 -0.000 0.000 0.277 1285 c C 2.806 176.803 174.090 -0.155 0.000 1.249 1285 c CA 1.110 57.352 56.329 -0.144 0.000 1.725 1285 c CB -1.452 41.022 42.510 -0.060 0.000 2.028 1285 c HN 0.665 nan 8.230 nan 0.000 0.477 1286 L N 0.138 121.277 121.223 -0.140 0.000 2.191 1286 L HA -0.090 4.250 4.340 -0.000 0.000 0.212 1286 L C 2.939 179.794 176.870 -0.024 0.000 1.103 1286 L CA 1.365 56.130 54.840 -0.126 0.000 0.769 1286 L CB -0.649 41.236 42.059 -0.289 0.000 0.908 1286 L HN 0.346 nan 8.230 nan 0.000 0.438 1287 R N -0.354 120.141 120.500 -0.009 0.000 2.189 1287 R HA -0.125 4.215 4.340 -0.000 0.000 0.223 1287 R C 2.075 178.294 176.300 -0.135 0.000 1.092 1287 R CA 0.895 56.959 56.100 -0.060 0.000 0.989 1287 R CB 0.001 30.282 30.300 -0.031 0.000 0.876 1287 R HN 0.507 nan 8.270 nan 0.000 0.457 1288 Q N -0.077 119.615 119.800 -0.180 0.000 2.398 1288 Q HA 0.036 4.376 4.340 -0.000 0.000 0.204 1288 Q C -0.031 175.906 176.000 -0.105 0.000 0.932 1288 Q CA 0.388 56.095 55.803 -0.160 0.000 0.916 1288 Q CB 0.402 29.014 28.738 -0.208 0.000 1.024 1288 Q HN -0.028 nan 8.270 nan 0.000 0.504 1289 K N 2.149 122.489 120.400 -0.101 0.000 2.355 1289 K HA 0.066 4.386 4.320 -0.000 0.000 0.270 1289 K C 0.471 177.044 176.600 -0.045 0.000 1.003 1289 K CA 0.181 56.424 56.287 -0.074 0.000 0.957 1289 K CB 0.551 32.997 32.500 -0.090 0.000 0.939 1289 K HN 0.138 nan 8.250 nan 0.000 0.482 1290 T N -2.455 112.090 114.554 -0.015 0.000 2.849 1290 T HA 0.051 4.401 4.350 -0.000 0.000 0.284 1290 T C 1.347 176.093 174.700 0.077 0.000 1.004 1290 T CA -0.581 61.530 62.100 0.018 0.000 1.021 1290 T CB 1.079 69.957 68.868 0.016 0.000 1.013 1290 T HN 0.643 nan 8.240 nan 0.000 0.527 1291 E N 0.115 120.390 120.200 0.125 0.000 2.097 1291 E HA -0.281 4.069 4.350 -0.000 0.000 0.196 1291 E C 1.847 178.595 176.600 0.245 0.000 1.000 1291 E CA 1.635 58.190 56.400 0.258 0.000 0.804 1291 E CB -0.122 29.658 29.700 0.133 0.000 0.740 1291 E HN 0.783 nan 8.360 nan 0.000 0.454 1292 E N 0.788 121.062 120.200 0.124 0.000 2.106 1292 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 1292 E C 1.702 178.356 176.600 0.089 0.000 0.984 1292 E CA 1.625 58.084 56.400 0.098 0.000 0.806 1292 E CB -0.011 29.719 29.700 0.050 0.000 0.750 1292 E HN 0.416 nan 8.360 nan 0.000 0.458 1293 E N -0.126 120.109 120.200 0.059 0.000 2.106 1293 E HA -0.114 4.235 4.350 -0.000 0.000 0.192 1293 E C 2.141 178.751 176.600 0.017 0.000 0.984 1293 E CA 0.912 57.327 56.400 0.024 0.000 0.806 1293 E CB -0.098 29.599 29.700 -0.005 0.000 0.750 1293 E HN 0.302 nan 8.360 nan 0.000 0.458 1294 L N 0.538 121.773 121.223 0.019 0.000 2.156 1294 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 1294 L C 2.448 179.352 176.870 0.056 0.000 1.095 1294 L CA 0.285 55.068 54.840 -0.095 0.000 0.770 1294 L CB -0.197 41.625 42.059 -0.394 0.000 0.914 1294 L HN 0.199 nan 8.230 nan 0.000 0.439 1295 L N -0.018 121.365 121.223 0.267 0.000 2.109 1295 L HA -0.149 4.190 4.340 -0.000 0.000 0.207 1295 L C 2.300 179.268 176.870 0.163 0.000 1.086 1295 L CA 1.696 56.728 54.840 0.319 0.000 0.760 1295 L CB -0.402 41.820 42.059 0.270 0.000 0.910 1295 L HN 0.173 nan 8.230 nan 0.000 0.437 1296 E N -1.169 119.092 120.200 0.100 0.000 2.110 1296 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 1296 E C 1.901 178.524 176.600 0.037 0.000 0.988 1296 E CA 1.640 58.073 56.400 0.055 0.000 0.804 1296 E CB -0.154 29.565 29.700 0.033 0.000 0.745 1296 E HN 0.516 nan 8.360 nan 0.000 0.458 1297 T N 0.401 114.973 114.554 0.030 0.000 2.746 1297 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 1297 T C 2.005 176.728 174.700 0.038 0.000 1.039 1297 T CA 1.607 63.713 62.100 0.010 0.000 1.142 1297 T CB -0.368 68.490 68.868 -0.016 0.000 0.866 1297 T HN 0.172 nan 8.240 nan 0.000 0.444 1298 T N 2.525 117.149 114.554 0.116 0.000 2.684 1298 T HA 0.021 4.371 4.350 -0.000 0.000 0.267 1298 T C 1.940 176.710 174.700 0.117 0.000 1.036 1298 T CA 0.933 63.171 62.100 0.231 0.000 1.148 1298 T CB -0.440 68.631 68.868 0.338 0.000 0.863 1298 T HN 0.272 nan 8.240 nan 0.000 0.436 1299 L N 0.178 121.452 121.223 0.084 0.000 2.201 1299 L HA -0.007 4.333 4.340 -0.000 0.000 0.212 1299 L C 2.642 179.494 176.870 -0.030 0.000 1.105 1299 L CA 1.139 56.001 54.840 0.036 0.000 0.775 1299 L CB -0.377 41.708 42.059 0.042 0.000 0.913 1299 L HN 0.186 nan 8.230 nan 0.000 0.440 1300 K N -0.406 119.967 120.400 -0.046 0.000 2.116 1300 K HA -0.058 4.262 4.320 -0.000 0.000 0.203 1300 K C 2.187 178.692 176.600 -0.158 0.000 1.052 1300 K CA 0.855 57.096 56.287 -0.078 0.000 0.952 1300 K CB 0.130 32.597 32.500 -0.055 0.000 0.729 1300 K HN 0.145 nan 8.250 nan 0.000 0.446 1301 M N 0.638 120.078 119.600 -0.267 0.000 2.296 1301 M HA -0.095 4.385 4.480 -0.000 0.000 0.265 1301 M C 0.401 176.361 176.300 -0.567 0.000 1.064 1301 M CA 1.028 56.010 55.300 -0.530 0.000 1.109 1301 M CB -0.517 31.464 32.600 -1.031 0.000 1.396 1301 M HN 0.063 nan 8.290 nan 0.000 0.430 1302 K N 0.853 121.027 120.400 -0.377 0.000 3.393 1302 K HA -0.173 4.147 4.320 -0.000 0.000 0.272 1302 K C -0.831 175.665 176.600 -0.174 0.000 1.004 1302 K CA -0.106 56.062 56.287 -0.199 0.000 0.764 1302 K CB -1.292 31.128 32.500 -0.134 0.000 1.373 1302 K HN 0.118 nan 8.250 nan 0.000 0.458 1303 F N 0.823 120.793 119.950 0.033 0.000 2.435 1303 F HA 0.100 4.627 4.527 0.000 0.000 0.316 1303 F C 1.648 177.465 175.800 0.029 0.000 1.220 1303 F CA -0.339 57.681 58.000 0.034 0.000 1.241 1303 F CB 0.323 39.355 39.000 0.054 0.000 1.234 1303 F HN 0.154 nan 8.300 nan 0.000 0.569 1304 L N 1.110 122.489 121.223 0.261 0.000 3.678 1304 L HA -0.267 4.073 4.340 -0.000 0.000 0.425 1304 L C -0.312 176.620 176.870 0.103 0.000 1.240 1304 L CA 0.819 55.747 54.840 0.146 0.000 0.876 1304 L CB -2.149 39.982 42.059 0.120 0.000 1.766 1304 L HN 0.546 nan 8.230 nan 0.000 0.917 1305 S N -0.485 115.269 115.700 0.089 0.000 2.603 1305 S HA 0.606 5.076 4.470 -0.000 0.000 0.274 1305 S C -0.717 173.895 174.600 0.020 0.000 1.168 1305 S CA -0.863 57.366 58.200 0.048 0.000 0.963 1305 S CB 1.111 64.323 63.200 0.019 0.000 1.078 1305 S HN 0.227 nan 8.310 nan 0.000 0.477 1306 L N 4.359 125.575 121.223 -0.011 0.000 2.500 1306 L HA 0.360 4.700 4.340 -0.000 0.000 0.272 1306 L C -0.162 176.647 176.870 -0.102 0.000 1.149 1306 L CA 0.508 55.289 54.840 -0.099 0.000 0.897 1306 L CB 0.270 42.132 42.059 -0.329 0.000 1.178 1306 L HN 0.626 nan 8.230 nan 0.000 0.473 1307 D N 4.606 124.956 120.400 -0.083 0.000 2.336 1307 D HA 0.116 4.756 4.640 -0.000 0.000 0.249 1307 D C 0.747 176.992 176.300 -0.091 0.000 1.213 1307 D CA 0.040 53.993 54.000 -0.077 0.000 0.870 1307 D CB 0.710 41.471 40.800 -0.066 0.000 1.076 1307 D HN 0.596 nan 8.370 nan 0.000 0.483 1308 L N 2.323 123.498 121.223 -0.080 0.000 2.592 1308 L HA 0.134 4.474 4.340 -0.000 0.000 0.227 1308 L C 1.152 177.997 176.870 -0.042 0.000 1.127 1308 L CA 0.148 54.947 54.840 -0.068 0.000 0.884 1308 L CB -0.095 41.927 42.059 -0.060 0.000 1.065 1308 L HN 0.347 nan 8.230 nan 0.000 0.457 1309 Q N 0.747 120.522 119.800 -0.043 0.000 2.309 1309 Q HA 0.503 4.843 4.340 -0.000 0.000 0.264 1309 Q C 0.209 176.191 176.000 -0.030 0.000 1.008 1309 Q CA 0.619 56.406 55.803 -0.028 0.000 0.853 1309 Q CB 2.448 31.170 28.738 -0.026 0.000 1.314 1309 Q HN 0.250 nan 8.270 nan 0.000 0.448 1310 G N 3.373 112.166 108.800 -0.012 0.000 2.584 1310 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.229 1310 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.229 1310 G C -0.750 174.145 174.900 -0.009 0.000 1.320 1310 G CA -0.091 45.003 45.100 -0.009 0.000 0.891 1310 G HN 0.686 nan 8.290 nan 0.000 0.573 1311 D N 1.115 121.504 120.400 -0.019 0.000 2.317 1311 D HA 0.418 5.058 4.640 -0.000 0.000 0.252 1311 D C -0.818 175.388 176.300 -0.156 0.000 1.174 1311 D CA -1.496 52.483 54.000 -0.035 0.000 0.866 1311 D CB 1.313 42.106 40.800 -0.012 0.000 1.127 1311 D HN -0.000 nan 8.370 nan 0.000 0.467 1312 P HA -0.099 nan 4.420 nan 0.000 0.217 1312 P C 0.997 178.067 177.300 -0.383 0.000 1.148 1312 P CA 0.996 63.820 63.100 -0.460 0.000 0.828 1312 P CB 0.237 31.357 31.700 -0.966 0.000 0.783 1313 R N -0.331 119.882 120.500 -0.479 0.000 2.285 1313 R HA -0.051 4.289 4.340 -0.000 0.000 0.213 1313 R C 1.505 177.734 176.300 -0.119 0.000 1.068 1313 R CA 0.828 56.707 56.100 -0.370 0.000 1.004 1313 R CB -0.307 29.736 30.300 -0.429 0.000 0.873 1313 R HN 0.413 nan 8.270 nan 0.000 0.467 1314 E N -0.144 119.996 120.200 -0.100 0.000 2.476 1314 E HA 0.098 4.448 4.350 -0.000 0.000 0.199 1314 E C -0.251 176.333 176.600 -0.027 0.000 1.021 1314 E CA -0.151 56.222 56.400 -0.044 0.000 0.907 1314 E CB 0.765 30.442 29.700 -0.039 0.000 0.974 1314 E HN 0.049 nan 8.360 nan 0.000 0.489 1315 S N 1.598 117.274 115.700 -0.041 0.000 2.549 1315 S HA 0.088 4.558 4.470 -0.000 0.000 0.283 1315 S C 0.084 174.697 174.600 0.022 0.000 1.320 1315 S CA 0.054 58.241 58.200 -0.022 0.000 1.058 1315 S CB 0.781 63.956 63.200 -0.041 0.000 0.882 1315 S HN 0.102 nan 8.310 nan 0.000 0.498 1316 Q N 2.977 122.808 119.800 0.053 0.000 2.523 1316 Q HA 0.303 4.643 4.340 -0.000 0.000 0.251 1316 Q C -1.698 174.432 176.000 0.216 0.000 1.033 1316 Q CA -1.906 53.972 55.803 0.125 0.000 0.746 1316 Q CB 1.135 29.977 28.738 0.173 0.000 1.189 1316 Q HN 0.327 nan 8.270 nan 0.000 0.508 1317 P HA -0.098 nan 4.420 nan 0.000 0.220 1317 P C -0.406 177.066 177.300 0.286 0.000 1.148 1317 P CA 0.850 64.064 63.100 0.190 0.000 0.803 1317 P CB 0.312 32.066 31.700 0.090 0.000 0.782 1318 L N -5.063 116.256 121.223 0.161 0.000 3.020 1318 L HA 0.433 4.773 4.340 -0.000 0.000 0.273 1318 L C -1.349 175.347 176.870 -0.290 0.000 1.018 1318 L CA -1.343 53.393 54.840 -0.173 0.000 0.950 1318 L CB 0.274 42.251 42.059 -0.137 0.000 1.510 1318 L HN -0.344 nan 8.230 nan 0.000 0.404 1319 L N 0.421 121.358 121.223 -0.476 0.000 2.309 1319 L HA 0.974 5.314 4.340 -0.000 0.000 0.282 1319 L C 0.573 177.276 176.870 -0.278 0.000 1.036 1319 L CA 0.034 54.717 54.840 -0.262 0.000 0.806 1319 L CB 1.136 43.088 42.059 -0.178 0.000 1.220 1319 L HN 1.046 nan 8.230 nan 0.000 0.429 1320 G N 0.780 109.434 108.800 -0.242 0.000 2.846 1320 G HA2 0.361 4.321 3.960 -0.000 0.000 0.299 1320 G HA3 0.361 4.321 3.960 -0.000 0.000 0.299 1320 G C -0.987 173.765 174.900 -0.246 0.000 1.242 1320 G CA -0.425 44.401 45.100 -0.458 0.000 0.800 1320 G HN 0.367 nan 8.290 nan 0.000 0.538 1321 T N 0.675 115.110 114.554 -0.199 0.000 2.928 1321 T HA 0.421 4.770 4.350 -0.000 0.000 0.305 1321 T C 0.504 175.193 174.700 -0.018 0.000 1.035 1321 T CA 0.519 62.639 62.100 0.033 0.000 1.145 1321 T CB 0.766 69.674 68.868 0.068 0.000 0.963 1321 T HN 1.335 nan 8.240 nan 0.000 0.545 1322 V N 0.327 120.238 119.914 -0.005 0.000 3.074 1322 V HA 0.619 4.739 4.120 -0.000 0.000 0.314 1322 V C -0.554 175.503 176.094 -0.062 0.000 1.117 1322 V CA -1.370 60.897 62.300 -0.056 0.000 1.014 1322 V CB 1.841 33.613 31.823 -0.084 0.000 1.057 1322 V HN 0.602 nan 8.190 nan 0.000 0.438 1323 I N 3.702 124.231 120.570 -0.068 0.000 2.256 1323 I HA 0.264 4.434 4.170 -0.000 0.000 0.294 1323 I C 0.872 176.947 176.117 -0.071 0.000 1.127 1323 I CA 0.080 61.341 61.300 -0.065 0.000 1.247 1323 I CB -0.028 37.938 38.000 -0.057 0.000 1.460 1323 I HN 0.977 nan 8.210 nan 0.000 0.511 1324 D N 3.696 124.047 120.400 -0.081 0.000 2.333 1324 D HA 0.003 4.643 4.640 -0.000 0.000 0.208 1324 D C 1.399 177.659 176.300 -0.067 0.000 0.984 1324 D CA 1.001 54.944 54.000 -0.095 0.000 0.873 1324 D CB 0.498 41.210 40.800 -0.146 0.000 0.935 1324 D HN 0.661 nan 8.370 nan 0.000 0.521 1325 G N -0.083 108.686 108.800 -0.052 0.000 2.175 1325 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.244 1325 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.244 1325 G C 0.923 175.809 174.900 -0.024 0.000 0.982 1325 G CA 0.604 45.683 45.100 -0.034 0.000 0.641 1325 G HN 0.250 nan 8.290 nan 0.000 0.527 1326 M N -1.349 118.234 119.600 -0.029 0.000 3.049 1326 M HA 0.456 4.936 4.480 -0.000 0.000 0.234 1326 M C 2.212 178.507 176.300 -0.008 0.000 1.632 1326 M CA 1.035 56.329 55.300 -0.010 0.000 1.259 1326 M CB -1.167 31.431 32.600 -0.003 0.000 1.199 1326 M HN 0.231 nan 8.290 nan 0.000 0.580 1327 L N 0.654 121.862 121.223 -0.025 0.000 2.049 1327 L HA 0.176 4.516 4.340 -0.000 0.000 0.203 1327 L C 0.309 177.152 176.870 -0.043 0.000 1.074 1327 L CA 1.415 56.240 54.840 -0.025 0.000 0.749 1327 L CB 0.174 42.215 42.059 -0.029 0.000 0.907 1327 L HN 0.115 nan 8.230 nan 0.000 0.439 1328 L N 0.212 121.402 121.223 -0.054 0.000 2.343 1328 L HA 0.237 4.577 4.340 -0.000 0.000 0.278 1328 L C 0.561 177.405 176.870 -0.043 0.000 0.996 1328 L CA -0.384 54.422 54.840 -0.058 0.000 0.831 1328 L CB 1.842 43.856 42.059 -0.074 0.000 1.232 1328 L HN 0.159 nan 8.230 nan 0.000 0.413 1329 L N 2.645 123.849 121.223 -0.032 0.000 2.240 1329 L HA 0.006 4.346 4.340 -0.000 0.000 0.211 1329 L C 0.794 177.649 176.870 -0.025 0.000 1.106 1329 L CA 1.151 55.976 54.840 -0.024 0.000 0.793 1329 L CB -0.345 41.705 42.059 -0.014 0.000 0.927 1329 L HN 0.652 nan 8.230 nan 0.000 0.446 1330 K N -1.517 118.866 120.400 -0.028 0.000 2.507 1330 K HA 0.365 4.685 4.320 -0.000 0.000 0.284 1330 K C -0.445 176.134 176.600 -0.036 0.000 1.038 1330 K CA -0.743 55.528 56.287 -0.027 0.000 0.903 1330 K CB 0.767 33.257 32.500 -0.016 0.000 1.531 1330 K HN -0.159 nan 8.250 nan 0.000 0.430 1331 T N -1.697 112.835 114.554 -0.037 0.000 2.903 1331 T HA 0.108 4.458 4.350 -0.000 0.000 0.314 1331 T C -1.868 172.805 174.700 -0.045 0.000 1.078 1331 T CA -0.879 61.192 62.100 -0.048 0.000 1.114 1331 T CB 0.490 69.328 68.868 -0.050 0.000 0.987 1331 T HN 0.284 nan 8.240 nan 0.000 0.548 1332 P HA -0.123 nan 4.420 nan 0.000 0.215 1332 P C 1.371 178.646 177.300 -0.042 0.000 1.157 1332 P CA 1.213 64.274 63.100 -0.066 0.000 0.874 1332 P CB 0.030 31.673 31.700 -0.095 0.000 0.790 1333 E N 0.005 120.178 120.200 -0.045 0.000 2.070 1333 E HA -0.218 4.132 4.350 -0.000 0.000 0.197 1333 E C 1.932 178.535 176.600 0.004 0.000 1.004 1333 E CA 1.482 57.866 56.400 -0.025 0.000 0.805 1333 E CB -1.025 28.653 29.700 -0.037 0.000 0.744 1333 E HN 0.454 nan 8.360 nan 0.000 0.451 1334 E N 0.299 120.499 120.200 -0.001 0.000 2.072 1334 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 1334 E C 2.147 178.770 176.600 0.038 0.000 0.985 1334 E CA 0.718 57.126 56.400 0.013 0.000 0.801 1334 E CB -0.200 29.500 29.700 0.001 0.000 0.750 1334 E HN 0.215 nan 8.360 nan 0.000 0.452 1335 L N 1.135 122.382 121.223 0.041 0.000 2.191 1335 L HA -0.223 4.116 4.340 -0.000 0.000 0.212 1335 L C 2.555 179.544 176.870 0.198 0.000 1.103 1335 L CA 1.250 56.143 54.840 0.089 0.000 0.769 1335 L CB -0.341 41.757 42.059 0.066 0.000 0.908 1335 L HN 0.257 nan 8.230 nan 0.000 0.438 1336 Q N -1.166 118.736 119.800 0.171 0.000 2.391 1336 Q HA 0.102 4.441 4.340 -0.000 0.000 0.211 1336 Q C 2.226 178.351 176.000 0.208 0.000 0.908 1336 Q CA 0.708 56.687 55.803 0.293 0.000 0.920 1336 Q CB -0.143 28.678 28.738 0.138 0.000 1.056 1336 Q HN 0.303 nan 8.270 nan 0.000 0.523 1337 A N 2.560 125.447 122.820 0.111 0.000 1.908 1337 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 1337 A C 1.025 178.648 177.584 0.065 0.000 1.181 1337 A CA 1.392 53.473 52.037 0.074 0.000 0.627 1337 A CB -0.492 18.534 19.000 0.044 0.000 0.818 1337 A HN 0.634 nan 8.150 nan 0.000 0.445 1338 E N -0.113 120.124 120.200 0.061 0.000 2.156 1338 E HA 0.410 4.760 4.350 -0.000 0.000 0.279 1338 E C -0.834 175.774 176.600 0.013 0.000 0.965 1338 E CA -1.085 55.328 56.400 0.022 0.000 0.789 1338 E CB 0.740 30.445 29.700 0.010 0.000 1.098 1338 E HN 0.105 nan 8.360 nan 0.000 0.397 1339 R N 3.129 123.585 120.500 -0.074 0.000 4.432 1339 R HA 0.020 4.360 4.340 -0.000 0.000 0.165 1339 R C -0.409 175.653 176.300 -0.396 0.000 1.929 1339 R CA -0.048 55.878 56.100 -0.290 0.000 1.469 1339 R CB -1.392 28.726 30.300 -0.305 0.000 1.368 1339 R HN 0.486 nan 8.270 nan 0.000 0.811 1340 N N 2.544 121.132 118.700 -0.187 0.000 3.091 1340 N HA 0.133 4.873 4.740 -0.000 0.000 0.255 1340 N C -1.265 174.274 175.510 0.048 0.000 1.204 1340 N CA -0.240 52.754 53.050 -0.094 0.000 0.990 1340 N CB 0.103 38.593 38.487 0.004 0.000 1.260 1340 N HN 0.186 nan 8.380 nan 0.000 0.502 1341 F N -1.637 118.303 119.950 -0.017 0.000 2.807 1341 F HA 0.355 4.882 4.527 -0.000 0.000 0.316 1341 F C -0.857 174.972 175.800 0.048 0.000 1.162 1341 F CA -1.203 56.766 58.000 -0.052 0.000 0.910 1341 F CB 0.405 39.388 39.000 -0.029 0.000 1.314 1341 F HN 0.004 nan 8.300 nan 0.000 0.454 1342 H N 0.480 119.746 119.070 0.327 0.000 3.026 1342 H HA 0.302 4.858 4.556 0.000 0.000 0.289 1342 H C 0.312 175.817 175.328 0.296 0.000 1.022 1342 H CA 0.256 56.399 56.048 0.157 0.000 1.477 1342 H CB 0.759 30.531 29.762 0.016 0.000 1.510 1342 H HN 0.716 nan 8.280 nan 0.000 0.535 1343 T N 0.967 115.648 114.554 0.212 0.000 3.467 1343 T HA 0.197 4.547 4.350 -0.000 0.000 0.232 1343 T C 0.644 175.451 174.700 0.178 0.000 0.876 1343 T CA -0.763 61.407 62.100 0.116 0.000 0.939 1343 T CB -1.374 67.459 68.868 -0.059 0.000 1.165 1343 T HN 0.340 nan 8.240 nan 0.000 0.615 1344 V N -2.166 117.926 119.914 0.295 0.000 3.036 1344 V HA 0.592 4.712 4.120 -0.000 0.000 0.308 1344 V C -2.731 173.602 176.094 0.398 0.000 1.070 1344 V CA -3.083 59.356 62.300 0.232 0.000 1.056 1344 V CB 0.423 32.331 31.823 0.142 0.000 1.084 1344 V HN 0.083 nan 8.190 nan 0.000 0.471 1345 P HA 0.147 nan 4.420 nan 0.000 0.264 1345 P C -1.314 176.356 177.300 0.615 0.000 1.193 1345 P CA 0.639 63.975 63.100 0.393 0.000 0.763 1345 P CB -0.113 31.638 31.700 0.085 0.000 0.810 1346 Y N 3.490 124.048 120.300 0.430 0.000 2.373 1346 Y HA 0.501 5.051 4.550 -0.000 0.000 0.336 1346 Y C -0.698 175.201 175.900 -0.001 0.000 0.979 1346 Y CA -1.485 56.690 58.100 0.124 0.000 1.080 1346 Y CB 1.564 39.748 38.460 -0.460 0.000 1.190 1346 Y HN 0.209 nan 8.280 nan 0.000 0.446 1347 M N 7.989 127.587 119.600 -0.004 0.000 2.114 1347 M HA 0.514 4.994 4.480 -0.000 0.000 0.332 1347 M C -2.182 173.925 176.300 -0.321 0.000 1.014 1347 M CA -0.674 54.407 55.300 -0.366 0.000 0.956 1347 M CB 0.769 32.819 32.600 -0.917 0.000 1.551 1347 M HN 0.405 nan 8.290 nan 0.000 0.427 1348 V N 4.824 124.494 119.914 -0.407 0.000 2.384 1348 V HA 0.871 4.991 4.120 -0.000 0.000 0.287 1348 V C 0.368 176.214 176.094 -0.414 0.000 1.020 1348 V CA -0.524 61.505 62.300 -0.452 0.000 0.850 1348 V CB 1.268 32.713 31.823 -0.631 0.000 0.987 1348 V HN 0.993 nan 8.190 nan 0.000 0.436 1349 G N 4.096 112.597 108.800 -0.498 0.000 2.680 1349 G HA2 0.910 4.870 3.960 -0.000 0.000 0.290 1349 G HA3 0.910 4.870 3.960 -0.000 0.000 0.290 1349 G C -1.210 173.317 174.900 -0.622 0.000 1.355 1349 G CA -0.697 43.708 45.100 -1.158 0.000 0.903 1349 G HN 0.907 nan 8.290 nan 0.000 0.474 1350 I N -2.699 117.545 120.570 -0.545 0.000 3.191 1350 I HA 0.579 4.749 4.170 -0.000 0.000 0.313 1350 I C -1.116 175.019 176.117 0.030 0.000 1.193 1350 I CA -1.357 59.848 61.300 -0.158 0.000 0.968 1350 I CB 2.386 40.327 38.000 -0.097 0.000 1.262 1350 I HN 0.441 nan 8.210 nan 0.000 0.456 1351 N N 1.270 120.023 118.700 0.089 0.000 2.443 1351 N HA 0.280 5.020 4.740 -0.000 0.000 0.293 1351 N C 0.070 175.672 175.510 0.153 0.000 1.159 1351 N CA -0.842 52.337 53.050 0.216 0.000 0.904 1351 N CB 2.001 40.620 38.487 0.220 0.000 1.214 1351 N HN 0.520 nan 8.380 nan 0.000 0.513 1352 K N 0.630 121.135 120.400 0.174 0.000 2.063 1352 K HA -0.128 4.192 4.320 -0.000 0.000 0.208 1352 K C 0.047 176.723 176.600 0.126 0.000 1.048 1352 K CA 1.799 58.164 56.287 0.130 0.000 0.928 1352 K CB 0.163 32.728 32.500 0.109 0.000 0.713 1352 K HN 0.530 nan 8.250 nan 0.000 0.442 1353 Q N 0.190 120.073 119.800 0.139 0.000 2.943 1353 Q HA 0.110 4.450 4.340 -0.000 0.000 0.327 1353 Q C -0.224 175.867 176.000 0.152 0.000 0.937 1353 Q CA -0.296 55.595 55.803 0.147 0.000 0.914 1353 Q CB 1.388 30.213 28.738 0.144 0.000 1.339 1353 Q HN 0.136 nan 8.270 nan 0.000 0.417 1354 E N 0.187 120.457 120.200 0.117 0.000 2.171 1354 E HA -0.179 4.171 4.350 -0.000 0.000 0.197 1354 E C 0.477 177.153 176.600 0.125 0.000 0.997 1354 E CA 1.296 57.713 56.400 0.027 0.000 0.810 1354 E CB 0.153 29.718 29.700 -0.224 0.000 0.738 1354 E HN 0.447 nan 8.360 nan 0.000 0.467 1355 F N 0.151 120.124 119.950 0.038 0.000 2.772 1355 F HA 0.294 4.821 4.527 -0.000 0.000 0.302 1355 F C 1.685 177.506 175.800 0.037 0.000 1.136 1355 F CA -0.222 57.781 58.000 0.005 0.000 1.322 1355 F CB 0.549 39.518 39.000 -0.052 0.000 0.967 1355 F HN -0.077 nan 8.300 nan 0.000 0.513 1356 G N 0.120 109.007 108.800 0.145 0.000 2.418 1356 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.217 1356 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.217 1356 G C 1.065 176.097 174.900 0.221 0.000 1.158 1356 G CA 1.442 46.649 45.100 0.178 0.000 0.771 1356 G HN 0.626 nan 8.290 nan 0.000 0.545 1357 W N -1.665 119.595 121.300 -0.067 0.000 5.465 1357 W HA 0.246 4.906 4.660 0.000 0.000 0.160 1357 W C 1.741 178.203 176.519 -0.095 0.000 1.373 1357 W CA 0.182 57.488 57.345 -0.064 0.000 1.891 1357 W CB -0.597 28.866 29.460 0.004 0.000 0.552 1357 W HN 0.001 nan 8.180 nan 0.000 1.112 1358 L N 1.987 123.259 121.223 0.082 0.000 1.997 1358 L HA -0.183 4.157 4.340 -0.000 0.000 0.216 1358 L C 2.058 178.731 176.870 -0.329 0.000 1.074 1358 L CA 2.835 57.593 54.840 -0.136 0.000 0.763 1358 L CB -0.952 41.278 42.059 0.284 0.000 0.890 1358 L HN 0.222 nan 8.230 nan 0.000 0.434 1359 I N -0.814 119.549 120.570 -0.345 0.000 2.202 1359 I HA -0.169 4.001 4.170 -0.000 0.000 0.242 1359 I C -0.358 175.412 176.117 -0.577 0.000 1.091 1359 I CA 1.066 62.101 61.300 -0.442 0.000 1.368 1359 I CB -1.582 36.111 38.000 -0.511 0.000 1.058 1359 I HN 0.252 nan 8.210 nan 0.000 0.410 1360 P HA -0.165 nan 4.420 nan 0.000 0.218 1360 P C 1.053 178.186 177.300 -0.278 0.000 1.148 1360 P CA 1.238 63.951 63.100 -0.644 0.000 0.822 1360 P CB 0.010 31.324 31.700 -0.644 0.000 0.784 1364 M N -0.394 119.199 119.600 -0.012 0.000 2.383 1364 M HA 0.227 4.707 4.480 -0.000 0.000 0.247 1364 M C 0.497 176.861 176.300 0.107 0.000 1.117 1364 M CA 0.146 55.504 55.300 0.096 0.000 0.995 1364 M CB 0.675 33.415 32.600 0.233 0.000 1.480 1364 M HN 0.166 nan 8.290 nan 0.000 0.485 1365 S N 0.378 116.114 115.700 0.059 0.000 3.783 1365 S HA -0.170 4.300 4.470 -0.000 0.000 0.360 1365 S C -0.401 174.245 174.600 0.077 0.000 1.006 1365 S CA 0.277 58.501 58.200 0.041 0.000 1.115 1365 S CB -1.942 61.260 63.200 0.003 0.000 0.893 1365 S HN 0.454 nan 8.310 nan 0.000 0.475 1366 Y N 1.259 121.561 120.300 0.002 0.000 2.497 1366 Y HA 0.310 4.861 4.550 0.001 0.000 0.334 1366 Y C -1.685 174.244 175.900 0.048 0.000 1.199 1366 Y CA -1.248 56.890 58.100 0.064 0.000 1.425 1366 Y CB 0.342 38.880 38.460 0.130 0.000 1.291 1366 Y HN 0.071 nan 8.280 nan 0.000 0.562 1367 P HA 0.221 nan 4.420 nan 0.000 0.231 1367 P C -0.510 176.859 177.300 0.115 0.000 1.811 1367 P CA 0.373 63.518 63.100 0.076 0.000 1.051 1367 P CB -0.208 31.501 31.700 0.016 0.000 1.951 1368 L N 0.477 121.784 121.223 0.141 0.000 3.218 1368 L HA 0.110 4.450 4.340 -0.000 0.000 0.279 1368 L C 1.766 178.697 176.870 0.101 0.000 1.287 1368 L CA 0.035 54.955 54.840 0.134 0.000 1.024 1368 L CB 0.045 42.216 42.059 0.188 0.000 1.409 1368 L HN 0.149 nan 8.230 nan 0.000 0.580 1369 S N -0.987 114.760 115.700 0.079 0.000 2.400 1369 S HA -0.178 4.292 4.470 -0.000 0.000 0.232 1369 S C 1.583 176.221 174.600 0.063 0.000 1.025 1369 S CA 1.086 59.327 58.200 0.068 0.000 0.993 1369 S CB -0.023 63.207 63.200 0.051 0.000 0.808 1369 S HN 0.407 nan 8.310 nan 0.000 0.478 1370 E N 0.970 121.204 120.200 0.056 0.000 2.358 1370 E HA 0.135 4.485 4.350 -0.000 0.000 0.195 1370 E C 1.783 178.417 176.600 0.057 0.000 1.010 1370 E CA 0.688 57.117 56.400 0.048 0.000 0.856 1370 E CB -0.618 29.103 29.700 0.036 0.000 0.795 1370 E HN 0.734 nan 8.360 nan 0.000 0.504 1371 G N 1.773 110.618 108.800 0.074 0.000 2.196 1371 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.268 1371 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.268 1371 G C 0.352 175.297 174.900 0.075 0.000 0.975 1371 G CA 1.213 46.364 45.100 0.086 0.000 0.648 1371 G HN 0.436 nan 8.290 nan 0.000 0.538 1372 Q N -1.319 118.514 119.800 0.055 0.000 2.378 1372 Q HA 0.914 5.254 4.340 -0.000 0.000 0.276 1372 Q C -1.137 174.877 176.000 0.023 0.000 1.083 1372 Q CA -1.315 54.514 55.803 0.044 0.000 0.856 1372 Q CB 2.609 31.368 28.738 0.035 0.000 1.383 1372 Q HN 0.563 nan 8.270 nan 0.000 0.458 1373 L N 1.578 122.809 121.223 0.013 0.000 2.641 1373 L HA 0.268 4.608 4.340 -0.000 0.000 0.261 1373 L C -1.829 175.033 176.870 -0.015 0.000 0.926 1373 L CA -0.177 54.648 54.840 -0.026 0.000 0.917 1373 L CB 2.175 44.185 42.059 -0.082 0.000 1.361 1373 L HN 0.884 nan 8.230 nan 0.000 0.417 1374 D N 3.075 123.463 120.400 -0.021 0.000 2.340 1374 D HA 0.186 4.826 4.640 -0.000 0.000 0.251 1374 D C 0.130 176.424 176.300 -0.009 0.000 1.080 1374 D CA -0.553 53.444 54.000 -0.004 0.000 0.971 1374 D CB 1.143 41.943 40.800 -0.001 0.000 1.137 1374 D HN 0.604 nan 8.370 nan 0.000 0.475 1375 Q N 0.008 119.816 119.800 0.013 0.000 2.181 1375 Q HA -0.201 4.139 4.340 -0.000 0.000 0.205 1375 Q C 1.925 177.937 176.000 0.020 0.000 0.980 1375 Q CA 1.308 57.127 55.803 0.027 0.000 0.862 1375 Q CB -0.103 28.658 28.738 0.038 0.000 0.905 1375 Q HN 0.550 nan 8.270 nan 0.000 0.429 1376 K N 0.473 120.879 120.400 0.010 0.000 2.057 1376 K HA -0.098 4.222 4.320 -0.000 0.000 0.206 1376 K C 1.970 178.572 176.600 0.002 0.000 1.050 1376 K CA 1.522 57.815 56.287 0.010 0.000 0.935 1376 K CB 0.110 32.614 32.500 0.006 0.000 0.715 1376 K HN 0.056 nan 8.250 nan 0.000 0.439 1377 T N 0.671 115.213 114.554 -0.021 0.000 2.821 1377 T HA -0.060 4.290 4.350 -0.000 0.000 0.267 1377 T C 1.836 176.476 174.700 -0.100 0.000 1.046 1377 T CA 1.109 63.182 62.100 -0.045 0.000 1.139 1377 T CB -0.187 68.646 68.868 -0.059 0.000 0.871 1377 T HN 0.384 nan 8.240 nan 0.000 0.454 1378 A N 1.532 124.272 122.820 -0.134 0.000 1.898 1378 A HA 0.016 4.336 4.320 -0.000 0.000 0.216 1378 A C 2.315 179.911 177.584 0.020 0.000 1.181 1378 A CA 1.248 53.137 52.037 -0.247 0.000 0.620 1378 A CB -0.619 18.307 19.000 -0.123 0.000 0.819 1378 A HN 0.439 nan 8.150 nan 0.000 0.442 1379 M N -0.824 118.827 119.600 0.085 0.000 2.229 1379 M HA -0.102 4.377 4.480 -0.000 0.000 0.264 1379 M C 2.492 178.909 176.300 0.194 0.000 1.063 1379 M CA 1.521 56.917 55.300 0.159 0.000 1.114 1379 M CB -0.305 32.356 32.600 0.102 0.000 1.387 1379 M HN 0.541 nan 8.290 nan 0.000 0.420 1380 S N 1.057 116.835 115.700 0.130 0.000 2.355 1380 S HA -0.073 4.397 4.470 -0.000 0.000 0.222 1380 S C 1.802 176.528 174.600 0.209 0.000 1.031 1380 S CA 1.084 59.382 58.200 0.163 0.000 0.993 1380 S CB -0.180 63.071 63.200 0.085 0.000 0.859 1380 S HN 0.428 nan 8.310 nan 0.000 0.453 1381 L N 0.663 121.970 121.223 0.139 0.000 2.109 1381 L HA 0.003 4.343 4.340 -0.000 0.000 0.207 1381 L C 2.496 179.597 176.870 0.384 0.000 1.086 1381 L CA 0.645 55.601 54.840 0.194 0.000 0.760 1381 L CB -0.551 41.570 42.059 0.103 0.000 0.910 1381 L HN 0.332 nan 8.230 nan 0.000 0.437 1382 L N -0.307 121.207 121.223 0.485 0.000 2.083 1382 L HA -0.244 4.096 4.340 -0.000 0.000 0.209 1382 L C 2.240 179.352 176.870 0.402 0.000 1.083 1382 L CA 1.753 56.886 54.840 0.487 0.000 0.752 1382 L CB -0.651 41.702 42.059 0.490 0.000 0.899 1382 L HN 0.375 nan 8.230 nan 0.000 0.433 1383 W N 0.101 121.520 121.300 0.198 0.000 2.388 1383 W HA -0.175 4.484 4.660 -0.002 0.000 0.294 1383 W C 1.841 178.456 176.519 0.161 0.000 1.212 1383 W CA 0.657 58.106 57.345 0.173 0.000 1.271 1383 W CB 0.118 29.645 29.460 0.111 0.000 1.126 1383 W HN 0.042 nan 8.180 nan 0.000 0.535 1384 K N 0.598 121.018 120.400 0.033 0.000 2.288 1384 K HA -0.041 4.279 4.320 -0.000 0.000 0.201 1384 K C 1.704 178.252 176.600 -0.086 0.000 1.048 1384 K CA 0.959 57.165 56.287 -0.137 0.000 0.956 1384 K CB -0.501 31.967 32.500 -0.053 0.000 0.746 1384 K HN 0.016 nan 8.250 nan 0.000 0.461 1385 S N 0.762 116.492 115.700 0.050 0.000 2.650 1385 S HA -0.020 4.450 4.470 -0.000 0.000 0.219 1385 S C 1.247 175.852 174.600 0.009 0.000 0.960 1385 S CA -0.261 57.987 58.200 0.080 0.000 0.925 1385 S CB -0.321 62.977 63.200 0.162 0.000 0.775 1385 S HN 0.281 nan 8.310 nan 0.000 0.525 1386 Y N 3.903 124.099 120.300 -0.172 0.000 2.096 1386 Y HA -0.198 4.353 4.550 0.002 0.000 0.278 1386 Y C -0.658 175.154 175.900 -0.148 0.000 1.192 1386 Y CA 2.090 60.073 58.100 -0.194 0.000 1.143 1386 Y CB -1.145 37.056 38.460 -0.433 0.000 0.963 1386 Y HN 0.266 nan 8.280 nan 0.000 0.505 1387 P HA -0.194 nan 4.420 nan 0.000 0.219 1387 P C 1.372 178.594 177.300 -0.130 0.000 1.146 1387 P CA 1.792 64.864 63.100 -0.046 0.000 0.808 1387 P CB -0.120 31.581 31.700 0.001 0.000 0.779 1388 L N -0.894 120.251 121.223 -0.131 0.000 2.253 1388 L HA 0.011 4.351 4.340 -0.000 0.000 0.205 1388 L C 2.508 179.208 176.870 -0.283 0.000 1.078 1388 L CA 0.945 55.681 54.840 -0.174 0.000 0.805 1388 L CB -0.436 41.558 42.059 -0.108 0.000 0.963 1388 L HN -0.107 nan 8.230 nan 0.000 0.459 1389 V N -5.916 113.823 119.914 -0.292 0.000 3.570 1389 V HA 0.125 4.245 4.120 -0.000 0.000 0.257 1389 V C 1.176 177.066 176.094 -0.340 0.000 1.272 1389 V CA -0.424 61.690 62.300 -0.311 0.000 1.079 1389 V CB -0.048 31.629 31.823 -0.243 0.000 0.829 1389 V HN 0.461 nan 8.190 nan 0.000 0.454 1390 C N 1.493 120.441 119.300 -0.587 0.000 4.300 1390 C HA -0.162 4.297 4.460 -0.000 0.000 0.304 1390 C C 0.488 175.287 174.990 -0.318 0.000 1.367 1390 C CA 0.146 58.603 59.018 -0.935 0.000 2.032 1390 C CB -3.056 24.296 27.740 -0.647 0.000 1.285 1390 C HN 0.662 nan 8.230 nan 0.000 0.737 1391 I N 1.246 121.816 120.570 -0.000 0.000 2.307 1391 I HA 0.464 4.634 4.170 -0.000 0.000 0.289 1391 I C 1.052 177.520 176.117 0.585 0.000 1.021 1391 I CA 0.061 61.593 61.300 0.386 0.000 1.224 1391 I CB 0.926 39.153 38.000 0.379 0.000 1.376 1391 I HN 0.522 nan 8.210 nan 0.000 0.470 1392 A N 6.088 129.231 122.820 0.539 0.000 2.587 1392 A HA -0.048 4.272 4.320 -0.000 0.000 0.233 1392 A C 1.565 179.366 177.584 0.362 0.000 1.049 1392 A CA 0.184 52.525 52.037 0.507 0.000 0.754 1392 A CB 0.168 19.351 19.000 0.305 0.000 0.977 1392 A HN 0.921 nan 8.150 nan 0.000 0.509 1393 K N 0.645 121.145 120.400 0.167 0.000 2.103 1393 K HA -0.214 4.106 4.320 -0.000 0.000 0.207 1393 K C 1.368 177.906 176.600 -0.104 0.000 1.048 1393 K CA 2.218 58.356 56.287 -0.249 0.000 0.930 1393 K CB -0.090 31.876 32.500 -0.890 0.000 0.716 1393 K HN 0.814 nan 8.250 nan 0.000 0.444 1394 E N 0.396 120.575 120.200 -0.035 0.000 2.204 1394 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 1394 E C 1.594 178.207 176.600 0.022 0.000 0.989 1394 E CA 0.884 57.274 56.400 -0.017 0.000 0.824 1394 E CB 0.018 29.717 29.700 -0.001 0.000 0.756 1394 E HN 0.349 nan 8.360 nan 0.000 0.477 1395 L N 0.131 121.396 121.223 0.070 0.000 2.477 1395 L HA 0.061 4.400 4.340 -0.000 0.000 0.220 1395 L C 1.730 178.662 176.870 0.103 0.000 1.106 1395 L CA -0.126 54.756 54.840 0.071 0.000 0.851 1395 L CB -0.212 41.895 42.059 0.079 0.000 0.994 1395 L HN 0.121 nan 8.230 nan 0.000 0.462 1396 I N 1.115 121.769 120.570 0.139 0.000 2.145 1396 I HA -0.216 3.954 4.170 -0.000 0.000 0.244 1396 I C 0.060 176.259 176.117 0.137 0.000 1.075 1396 I CA 2.115 63.520 61.300 0.176 0.000 1.332 1396 I CB -2.289 35.819 38.000 0.181 0.000 1.033 1396 I HN 0.177 nan 8.210 nan 0.000 0.410 1397 P HA -0.194 nan 4.420 nan 0.000 0.215 1397 P C 1.745 179.091 177.300 0.076 0.000 1.157 1397 P CA 1.567 64.708 63.100 0.068 0.000 0.874 1397 P CB -0.038 31.682 31.700 0.033 0.000 0.790 1398 E N -0.518 119.725 120.200 0.072 0.000 2.072 1398 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 1398 E C 1.947 178.632 176.600 0.142 0.000 0.985 1398 E CA 1.123 57.573 56.400 0.084 0.000 0.801 1398 E CB -0.491 29.246 29.700 0.062 0.000 0.750 1398 E HN 0.039 nan 8.360 nan 0.000 0.452 1399 A N 0.333 123.250 122.820 0.162 0.000 1.877 1399 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 1399 A C 2.389 180.100 177.584 0.211 0.000 1.186 1399 A CA 2.095 54.255 52.037 0.206 0.000 0.620 1399 A CB -0.960 18.192 19.000 0.254 0.000 0.822 1399 A HN 0.328 nan 8.150 nan 0.000 0.443 1400 T N -0.609 114.062 114.554 0.196 0.000 2.777 1400 T HA -0.108 4.242 4.350 -0.000 0.000 0.266 1400 T C 1.931 176.721 174.700 0.151 0.000 1.040 1400 T CA 1.645 63.867 62.100 0.203 0.000 1.141 1400 T CB -0.222 68.758 68.868 0.186 0.000 0.868 1400 T HN 0.605 nan 8.240 nan 0.000 0.444 1401 E N 1.560 121.814 120.200 0.091 0.000 2.077 1401 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 1401 E C 2.074 178.666 176.600 -0.014 0.000 0.989 1401 E CA 1.384 57.807 56.400 0.039 0.000 0.800 1401 E CB -0.230 29.482 29.700 0.020 0.000 0.746 1401 E HN 0.238 nan 8.360 nan 0.000 0.452 1402 K N -0.819 119.536 120.400 -0.075 0.000 2.063 1402 K HA -0.167 4.153 4.320 -0.000 0.000 0.208 1402 K C 1.821 178.260 176.600 -0.269 0.000 1.048 1402 K CA 1.711 57.815 56.287 -0.305 0.000 0.928 1402 K CB -0.582 31.452 32.500 -0.776 0.000 0.713 1402 K HN 0.276 nan 8.250 nan 0.000 0.442 1403 Y N -0.380 119.828 120.300 -0.153 0.000 2.301 1403 Y HA 0.162 4.712 4.550 -0.000 0.000 0.295 1403 Y C 1.736 177.640 175.900 0.006 0.000 1.119 1403 Y CA 0.867 58.935 58.100 -0.054 0.000 1.162 1403 Y CB 0.237 38.718 38.460 0.036 0.000 1.046 1403 Y HN -0.080 nan 8.280 nan 0.000 0.538 1404 L N -1.886 119.449 121.223 0.188 0.000 2.513 1404 L HA 0.218 4.558 4.340 -0.000 0.000 0.222 1404 L C 2.348 179.258 176.870 0.067 0.000 1.096 1404 L CA 0.705 55.626 54.840 0.135 0.000 0.857 1404 L CB -0.763 41.388 42.059 0.154 0.000 1.026 1404 L HN 0.200 nan 8.230 nan 0.000 0.469 1405 G N 0.683 109.505 108.800 0.037 0.000 2.498 1405 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.219 1405 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.219 1405 G C 1.534 176.432 174.900 -0.003 0.000 1.119 1405 G CA 0.734 45.840 45.100 0.011 0.000 0.766 1405 G HN 0.470 nan 8.290 nan 0.000 0.552 1406 G N -0.267 108.525 108.800 -0.012 0.000 2.471 1406 G HA2 0.221 4.181 3.960 -0.000 0.000 0.219 1406 G HA3 0.221 4.181 3.960 -0.000 0.000 0.219 1406 G C 0.895 175.794 174.900 -0.001 0.000 1.125 1406 G CA 1.412 46.501 45.100 -0.019 0.000 0.775 1406 G HN 0.725 nan 8.290 nan 0.000 0.548 1407 T N -4.454 110.109 114.554 0.015 0.000 2.901 1407 T HA 0.498 4.848 4.350 -0.000 0.000 0.293 1407 T C -0.122 174.593 174.700 0.024 0.000 1.084 1407 T CA -0.507 61.605 62.100 0.020 0.000 1.008 1407 T CB 2.560 71.445 68.868 0.029 0.000 1.170 1407 T HN -0.144 nan 8.240 nan 0.000 0.509 1408 D N -0.642 119.771 120.400 0.022 0.000 2.423 1408 D HA 0.007 4.647 4.640 -0.000 0.000 0.208 1408 D C -0.144 176.171 176.300 0.025 0.000 1.068 1408 D CA -0.094 53.919 54.000 0.021 0.000 0.860 1408 D CB 0.359 41.169 40.800 0.015 0.000 0.992 1408 D HN 0.639 nan 8.370 nan 0.000 0.504 1409 D N 1.162 121.579 120.400 0.028 0.000 2.434 1409 D HA -0.071 4.569 4.640 -0.000 0.000 0.252 1409 D C 1.466 177.789 176.300 0.038 0.000 1.185 1409 D CA 0.379 54.398 54.000 0.031 0.000 0.886 1409 D CB 1.524 42.343 40.800 0.032 0.000 1.148 1409 D HN 0.093 nan 8.370 nan 0.000 0.483 1410 T N 0.557 115.131 114.554 0.034 0.000 2.951 1410 T HA -0.089 4.261 4.350 -0.000 0.000 0.268 1410 T C 1.931 176.659 174.700 0.047 0.000 1.073 1410 T CA 0.681 62.803 62.100 0.036 0.000 1.134 1410 T CB -0.092 68.792 68.868 0.027 0.000 0.884 1410 T HN 0.235 nan 8.240 nan 0.000 0.479 1411 V N 1.650 121.594 119.914 0.049 0.000 2.323 1411 V HA -0.063 4.057 4.120 -0.000 0.000 0.244 1411 V C 2.795 178.934 176.094 0.076 0.000 1.041 1411 V CA 1.567 63.903 62.300 0.060 0.000 1.025 1411 V CB -0.512 31.342 31.823 0.052 0.000 0.656 1411 V HN 0.469 nan 8.190 nan 0.000 0.451 1412 K N 0.188 120.629 120.400 0.069 0.000 2.063 1412 K HA -0.207 4.112 4.320 -0.000 0.000 0.208 1412 K C 2.235 178.898 176.600 0.105 0.000 1.048 1412 K CA 1.460 57.795 56.287 0.080 0.000 0.928 1412 K CB -0.248 32.290 32.500 0.063 0.000 0.713 1412 K HN 0.404 nan 8.250 nan 0.000 0.442 1413 K N 1.052 121.511 120.400 0.097 0.000 2.063 1413 K HA -0.183 4.137 4.320 -0.000 0.000 0.208 1413 K C 2.190 178.892 176.600 0.170 0.000 1.048 1413 K CA 1.175 57.536 56.287 0.122 0.000 0.928 1413 K CB -0.071 32.481 32.500 0.086 0.000 0.713 1413 K HN 0.073 nan 8.250 nan 0.000 0.442 1414 K N 1.195 121.681 120.400 0.143 0.000 2.097 1414 K HA -0.190 4.130 4.320 -0.000 0.000 0.206 1414 K C 1.314 178.066 176.600 0.253 0.000 1.049 1414 K CA 1.678 58.078 56.287 0.187 0.000 0.933 1414 K CB 0.003 32.584 32.500 0.135 0.000 0.717 1414 K HN 0.122 nan 8.250 nan 0.000 0.442 1415 D N 0.943 121.459 120.400 0.193 0.000 2.117 1415 D HA -0.142 4.497 4.640 -0.000 0.000 0.198 1415 D C 2.058 178.481 176.300 0.205 0.000 0.982 1415 D CA 0.923 55.033 54.000 0.184 0.000 0.828 1415 D CB -0.098 40.785 40.800 0.138 0.000 0.967 1415 D HN 0.244 nan 8.370 nan 0.000 0.464 1416 L N -0.151 121.203 121.223 0.219 0.000 2.201 1416 L HA -0.101 4.239 4.340 -0.000 0.000 0.212 1416 L C 2.307 179.340 176.870 0.271 0.000 1.105 1416 L CA 0.355 55.351 54.840 0.259 0.000 0.775 1416 L CB -0.282 41.927 42.059 0.250 0.000 0.913 1416 L HN -0.055 nan 8.230 nan 0.000 0.440 1417 F N 0.657 120.676 119.950 0.116 0.000 2.146 1417 F HA -0.178 4.349 4.527 -0.001 0.000 0.298 1417 F C 2.110 177.921 175.800 0.018 0.000 1.096 1417 F CA 1.436 59.473 58.000 0.061 0.000 1.275 1417 F CB -0.100 38.951 39.000 0.085 0.000 1.008 1417 F HN -0.125 nan 8.300 nan 0.000 0.480 1418 L N -0.248 121.040 121.223 0.108 0.000 2.093 1418 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 1418 L C 2.071 178.930 176.870 -0.019 0.000 1.085 1418 L CA 1.238 56.109 54.840 0.051 0.000 0.755 1418 L CB -0.862 41.344 42.059 0.246 0.000 0.904 1418 L HN 0.086 nan 8.230 nan 0.000 0.435 1419 D N 0.274 120.706 120.400 0.053 0.000 2.144 1419 D HA -0.157 4.483 4.640 -0.000 0.000 0.200 1419 D C 2.101 178.374 176.300 -0.045 0.000 0.978 1419 D CA 0.989 55.047 54.000 0.096 0.000 0.833 1419 D CB -0.100 40.839 40.800 0.231 0.000 0.961 1419 D HN 0.170 nan 8.370 nan 0.000 0.470 1420 L N 1.129 122.163 121.223 -0.315 0.000 2.012 1420 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 1420 L C 2.009 178.531 176.870 -0.580 0.000 1.073 1420 L CA 1.487 55.850 54.840 -0.794 0.000 0.748 1420 L CB -1.036 40.435 42.059 -0.980 0.000 0.891 1420 L HN -0.015 nan 8.230 nan 0.000 0.431 1421 I N 0.079 120.262 120.570 -0.644 0.000 2.315 1421 I HA -0.228 3.942 4.170 -0.000 0.000 0.248 1421 I C 2.644 178.465 176.117 -0.493 0.000 1.117 1421 I CA 1.069 61.927 61.300 -0.737 0.000 1.404 1421 I CB -0.652 36.616 38.000 -1.220 0.000 1.071 1421 I HN 0.397 nan 8.210 nan 0.000 0.419 1422 A N 0.546 123.231 122.820 -0.226 0.000 1.898 1422 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 1422 A C 1.961 179.571 177.584 0.043 0.000 1.181 1422 A CA 1.925 54.020 52.037 0.097 0.000 0.620 1422 A CB -0.531 18.576 19.000 0.180 0.000 0.819 1422 A HN 0.313 nan 8.150 nan 0.000 0.442 1423 D N -0.278 120.086 120.400 -0.060 0.000 2.117 1423 D HA -0.101 4.539 4.640 -0.000 0.000 0.197 1423 D C 2.055 178.174 176.300 -0.300 0.000 0.987 1423 D CA 1.448 55.409 54.000 -0.065 0.000 0.829 1423 D CB -0.343 40.524 40.800 0.111 0.000 0.961 1423 D HN 0.224 nan 8.370 nan 0.000 0.460 1424 V N 0.656 120.237 119.914 -0.553 0.000 2.379 1424 V HA -0.172 3.948 4.120 -0.000 0.000 0.245 1424 V C 2.403 178.202 176.094 -0.492 0.000 1.044 1424 V CA 1.231 63.123 62.300 -0.680 0.000 1.036 1424 V CB -0.281 31.051 31.823 -0.818 0.000 0.664 1424 V HN 0.197 nan 8.190 nan 0.000 0.453 1425 M N -1.905 117.383 119.600 -0.520 0.000 2.334 1425 M HA 0.074 4.554 4.480 -0.000 0.000 0.266 1425 M C 1.711 177.493 176.300 -0.864 0.000 1.082 1425 M CA 1.926 56.768 55.300 -0.764 0.000 1.141 1425 M CB -0.009 31.953 32.600 -1.064 0.000 1.380 1425 M HN 0.355 nan 8.290 nan 0.000 0.440 1426 F N -1.805 118.065 119.950 -0.133 0.000 2.268 1426 F HA 0.357 4.885 4.527 0.000 0.000 0.262 1426 F C 2.382 178.124 175.800 -0.097 0.000 0.910 1426 F CA 0.176 58.124 58.000 -0.086 0.000 1.142 1426 F CB -1.335 37.653 39.000 -0.020 0.000 1.229 1426 F HN 0.017 nan 8.300 nan 0.000 0.781 1427 G N 1.226 110.113 108.800 0.145 0.000 2.719 1427 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.219 1427 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.219 1427 G C 1.690 176.587 174.900 -0.005 0.000 1.234 1427 G CA 2.169 47.297 45.100 0.046 0.000 0.788 1427 G HN 0.190 nan 8.290 nan 0.000 0.619 1428 V N 2.272 122.177 119.914 -0.014 0.000 2.295 1428 V HA -0.109 4.011 4.120 -0.000 0.000 0.246 1428 V C 0.402 176.476 176.094 -0.034 0.000 1.049 1428 V CA 2.363 64.665 62.300 0.004 0.000 1.024 1428 V CB -1.074 30.762 31.823 0.022 0.000 0.648 1428 V HN 0.319 nan 8.190 nan 0.000 0.447 1429 P HA -0.088 nan 4.420 nan 0.000 0.217 1429 P C 1.991 179.233 177.300 -0.096 0.000 1.150 1429 P CA 1.606 64.645 63.100 -0.101 0.000 0.832 1429 P CB -0.053 31.556 31.700 -0.151 0.000 0.787 1430 S N -0.816 114.828 115.700 -0.092 0.000 2.368 1430 S HA -0.102 4.368 4.470 -0.000 0.000 0.225 1430 S C 1.982 176.466 174.600 -0.193 0.000 1.030 1430 S CA 1.190 59.303 58.200 -0.145 0.000 0.999 1430 S CB -1.168 61.950 63.200 -0.137 0.000 0.844 1430 S HN -0.041 nan 8.310 nan 0.000 0.459 1431 V N 2.031 121.857 119.914 -0.146 0.000 2.358 1431 V HA -0.119 4.001 4.120 -0.000 0.000 0.246 1431 V C 2.035 178.096 176.094 -0.054 0.000 1.047 1431 V CA 1.353 63.573 62.300 -0.135 0.000 1.035 1431 V CB -0.622 31.172 31.823 -0.048 0.000 0.658 1431 V HN 0.447 nan 8.190 nan 0.000 0.452 1432 I N -0.395 120.158 120.570 -0.027 0.000 2.226 1432 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 1432 I C 2.372 178.481 176.117 -0.014 0.000 1.100 1432 I CA 1.245 62.548 61.300 0.005 0.000 1.374 1432 I CB -0.387 37.615 38.000 0.003 0.000 1.057 1432 I HN 0.156 nan 8.210 nan 0.000 0.413 1433 V N 0.982 120.850 119.914 -0.075 0.000 2.307 1433 V HA -0.284 3.836 4.120 -0.000 0.000 0.245 1433 V C 2.734 178.774 176.094 -0.090 0.000 1.045 1433 V CA 1.985 64.224 62.300 -0.101 0.000 1.024 1433 V CB -0.956 30.773 31.823 -0.157 0.000 0.651 1433 V HN 0.492 nan 8.190 nan 0.000 0.449 1434 A N -0.072 122.642 122.820 -0.177 0.000 1.908 1434 A HA -0.259 4.060 4.320 -0.000 0.000 0.218 1434 A C 2.364 180.030 177.584 0.136 0.000 1.181 1434 A CA 2.033 53.964 52.037 -0.178 0.000 0.627 1434 A CB -0.526 18.151 19.000 -0.538 0.000 0.818 1434 A HN 0.515 nan 8.150 nan 0.000 0.445 1435 R N -0.670 119.949 120.500 0.198 0.000 2.081 1435 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 1435 R C 1.999 178.417 176.300 0.197 0.000 1.131 1435 R CA 1.724 57.984 56.100 0.268 0.000 0.960 1435 R CB -0.420 30.002 30.300 0.203 0.000 0.856 1435 R HN 0.635 nan 8.270 nan 0.000 0.436 1436 N N -0.593 118.204 118.700 0.162 0.000 2.188 1436 N HA -0.158 4.582 4.740 -0.000 0.000 0.184 1436 N C 1.625 177.332 175.510 0.327 0.000 1.018 1436 N CA 1.049 54.218 53.050 0.199 0.000 0.858 1436 N CB -0.116 38.457 38.487 0.143 0.000 0.989 1436 N HN 0.255 nan 8.380 nan 0.000 0.426 1437 H N 0.626 119.811 119.070 0.192 0.000 2.357 1437 H HA 0.075 4.631 4.556 -0.000 0.000 0.301 1437 H C 2.191 177.693 175.328 0.290 0.000 1.082 1437 H CA 1.421 57.658 56.048 0.315 0.000 1.342 1437 H CB 0.156 30.047 29.762 0.215 0.000 1.389 1437 H HN 0.031 nan 8.280 nan 0.000 0.511 1438 R N 0.403 121.079 120.500 0.294 0.000 2.070 1438 R HA -0.131 4.209 4.340 -0.000 0.000 0.233 1438 R C 1.134 177.499 176.300 0.107 0.000 1.137 1438 R CA 1.959 58.173 56.100 0.190 0.000 0.945 1438 R CB -0.241 30.182 30.300 0.206 0.000 0.845 1438 R HN 0.367 nan 8.270 nan 0.000 0.430 1439 D N 0.261 120.731 120.400 0.118 0.000 2.389 1439 D HA -0.108 4.532 4.640 -0.000 0.000 0.221 1439 D C 1.007 177.335 176.300 0.046 0.000 0.974 1439 D CA 1.084 55.128 54.000 0.073 0.000 0.923 1439 D CB 0.110 40.959 40.800 0.082 0.000 0.892 1439 D HN 0.419 nan 8.370 nan 0.000 0.518 1440 A N -0.388 122.462 122.820 0.051 0.000 2.307 1440 A HA 0.451 4.771 4.320 -0.000 0.000 0.218 1440 A C 1.711 179.244 177.584 -0.084 0.000 1.228 1440 A CA 0.655 52.660 52.037 -0.054 0.000 0.857 1440 A CB -0.044 18.884 19.000 -0.121 0.000 0.897 1440 A HN 0.180 nan 8.150 nan 0.000 0.495 1441 G N -1.715 107.065 108.800 -0.033 0.000 2.143 1441 G HA2 0.084 4.044 3.960 -0.000 0.000 0.248 1441 G HA3 0.084 4.044 3.960 -0.000 0.000 0.248 1441 G C 0.329 175.213 174.900 -0.026 0.000 0.991 1441 G CA 0.400 45.483 45.100 -0.029 0.000 0.689 1441 G HN 1.604 nan 8.290 nan 0.000 0.522 1442 A N -0.046 122.751 122.820 -0.039 0.000 2.312 1442 A HA 0.838 5.158 4.320 -0.000 0.000 0.328 1442 A C -2.194 175.463 177.584 0.122 0.000 1.158 1442 A CA -1.631 50.406 52.037 -0.000 0.000 0.821 1442 A CB 1.086 19.969 19.000 -0.195 0.000 1.170 1442 A HN 0.087 nan 8.150 nan 0.000 0.490 1443 P HA 0.236 nan 4.420 nan 0.000 0.266 1443 P C -0.590 176.844 177.300 0.223 0.000 1.215 1443 P CA 0.688 63.874 63.100 0.142 0.000 0.763 1443 P CB 0.694 32.511 31.700 0.195 0.000 0.806 1444 T N 3.424 117.985 114.554 0.012 0.000 2.876 1444 T HA 0.556 4.906 4.350 -0.000 0.000 0.289 1444 T C -0.975 173.553 174.700 -0.287 0.000 1.014 1444 T CA -0.289 61.843 62.100 0.053 0.000 0.986 1444 T CB 0.802 69.796 68.868 0.209 0.000 1.021 1444 T HN 0.109 nan 8.240 nan 0.000 0.458 1445 Y N 1.069 121.364 120.300 -0.009 0.000 2.512 1445 Y HA 0.717 5.267 4.550 -0.000 0.000 0.348 1445 Y C -0.018 175.873 175.900 -0.016 0.000 0.990 1445 Y CA -1.149 56.922 58.100 -0.048 0.000 1.033 1445 Y CB 2.098 40.267 38.460 -0.485 0.000 1.259 1445 Y HN 0.365 nan 8.280 nan 0.000 0.461 1446 M N 2.961 122.807 119.600 0.410 0.000 2.593 1446 M HA 0.523 5.003 4.480 -0.000 0.000 0.290 1446 M C -1.639 174.966 176.300 0.510 0.000 1.244 1446 M CA -0.970 54.451 55.300 0.203 0.000 0.857 1446 M CB 3.266 35.741 32.600 -0.207 0.000 1.738 1446 M HN 0.772 nan 8.290 nan 0.000 0.461 1447 Y N -1.364 119.069 120.300 0.222 0.000 2.670 1447 Y HA 0.747 5.297 4.550 -0.000 0.000 0.334 1447 Y C -1.639 174.356 175.900 0.158 0.000 1.185 1447 Y CA -1.023 57.161 58.100 0.140 0.000 1.053 1447 Y CB 1.551 40.009 38.460 -0.003 0.000 1.298 1447 Y HN 0.700 nan 8.280 nan 0.000 0.459 1448 E N 2.142 122.565 120.200 0.372 0.000 2.283 1448 E HA 0.325 4.675 4.350 -0.000 0.000 0.258 1448 E C -2.246 174.603 176.600 0.416 0.000 0.893 1448 E CA -0.777 55.790 56.400 0.278 0.000 0.798 1448 E CB 1.231 31.067 29.700 0.226 0.000 1.242 1448 E HN 0.624 nan 8.360 nan 0.000 0.414 1449 F N 3.829 123.984 119.950 0.342 0.000 2.424 1449 F HA 0.233 4.760 4.527 -0.000 0.000 0.356 1449 F C -0.193 175.721 175.800 0.190 0.000 1.110 1449 F CA -0.007 58.156 58.000 0.271 0.000 1.161 1449 F CB 1.057 40.244 39.000 0.312 0.000 1.115 1449 F HN 0.465 nan 8.300 nan 0.000 0.507 1450 Q N 7.100 126.699 119.800 -0.335 0.000 2.771 1450 Q HA 0.272 4.612 4.340 -0.000 0.000 0.247 1450 Q C -2.248 173.592 176.000 -0.266 0.000 0.986 1450 Q CA -0.555 55.138 55.803 -0.183 0.000 0.713 1450 Q CB 0.771 29.480 28.738 -0.048 0.000 1.241 1450 Q HN 0.790 nan 8.270 nan 0.000 0.488 1451 Y N 0.723 120.752 120.300 -0.452 0.000 2.592 1451 Y HA 0.427 4.976 4.550 -0.000 0.000 0.334 1451 Y C -1.935 173.943 175.900 -0.037 0.000 1.136 1451 Y CA -0.950 56.969 58.100 -0.302 0.000 1.042 1451 Y CB 1.601 39.767 38.460 -0.489 0.000 1.325 1451 Y HN 0.460 nan 8.280 nan 0.000 0.457 1452 R N 6.473 126.546 120.500 -0.712 0.000 2.320 1452 R HA 0.475 4.815 4.340 -0.000 0.000 0.319 1452 R C -2.878 173.097 176.300 -0.542 0.000 0.969 1452 R CA -2.045 53.802 56.100 -0.421 0.000 0.857 1452 R CB 1.113 31.200 30.300 -0.355 0.000 1.160 1452 R HN 0.434 nan 8.270 nan 0.000 0.491 1453 P HA 0.003 nan 4.420 nan 0.000 0.271 1453 P C 0.217 177.279 177.300 -0.397 0.000 1.218 1453 P CA -0.078 62.947 63.100 -0.124 0.000 0.780 1453 P CB 1.462 33.168 31.700 0.011 0.000 0.901 1454 S N 0.879 116.217 115.700 -0.602 0.000 2.515 1454 S HA -0.068 4.402 4.470 -0.000 0.000 0.231 1454 S C 1.252 175.420 174.600 -0.720 0.000 0.987 1454 S CA 0.454 58.263 58.200 -0.653 0.000 0.936 1454 S CB -1.143 61.634 63.200 -0.705 0.000 0.766 1454 S HN 0.395 nan 8.310 nan 0.000 0.528 1455 F N 2.490 122.167 119.950 -0.456 0.000 2.804 1455 F HA 0.313 4.839 4.527 -0.000 0.000 0.303 1455 F C 1.240 176.719 175.800 -0.535 0.000 1.154 1455 F CA -0.451 57.204 58.000 -0.575 0.000 1.401 1455 F CB -0.432 37.979 39.000 -0.981 0.000 1.106 1455 F HN 0.032 nan 8.300 nan 0.000 0.568 1456 S N 0.081 115.585 115.700 -0.325 0.000 2.573 1456 S HA 0.035 4.505 4.470 -0.000 0.000 0.277 1456 S C 0.549 175.084 174.600 -0.109 0.000 1.346 1456 S CA -0.615 57.484 58.200 -0.168 0.000 1.034 1456 S CB 0.893 63.971 63.200 -0.203 0.000 0.879 1456 S HN 0.270 nan 8.310 nan 0.000 0.528 1457 S N 0.643 116.318 115.700 -0.041 0.000 2.563 1457 S HA -0.016 4.454 4.470 -0.000 0.000 0.284 1457 S C 0.780 175.301 174.600 -0.132 0.000 1.331 1457 S CA -0.506 57.684 58.200 -0.017 0.000 1.047 1457 S CB 0.150 63.426 63.200 0.126 0.000 0.859 1457 S HN 0.618 nan 8.310 nan 0.000 0.514 1458 D N 3.611 123.971 120.400 -0.067 0.000 2.264 1458 D HA -0.075 4.565 4.640 -0.000 0.000 0.208 1458 D C 1.504 177.742 176.300 -0.103 0.000 0.966 1458 D CA 1.312 55.259 54.000 -0.088 0.000 0.864 1458 D CB -0.090 40.685 40.800 -0.042 0.000 0.933 1458 D HN 0.645 nan 8.370 nan 0.000 0.499 1459 M N 0.067 119.634 119.600 -0.054 0.000 2.659 1459 M HA -0.016 4.464 4.480 -0.000 0.000 0.243 1459 M C 0.931 177.106 176.300 -0.209 0.000 1.111 1459 M CA 0.378 55.687 55.300 0.014 0.000 1.070 1459 M CB 0.174 32.925 32.600 0.251 0.000 1.525 1459 M HN -0.257 nan 8.290 nan 0.000 0.517 1460 K N 3.213 123.211 120.400 -0.671 0.000 2.262 1460 K HA 0.257 4.576 4.320 -0.000 0.000 0.282 1460 K C -2.267 173.959 176.600 -0.622 0.000 1.066 1460 K CA -1.801 53.720 56.287 -1.277 0.000 0.901 1460 K CB 0.885 32.449 32.500 -1.559 0.000 1.089 1460 K HN -0.095 nan 8.250 nan 0.000 0.476 1461 P HA -0.046 nan 4.420 nan 0.000 0.269 1461 P C -0.492 176.673 177.300 -0.225 0.000 1.217 1461 P CA 0.073 63.029 63.100 -0.240 0.000 0.783 1461 P CB 0.684 32.303 31.700 -0.135 0.000 0.898 1462 K N 0.017 120.321 120.400 -0.160 0.000 2.365 1462 K HA -0.049 4.271 4.320 -0.000 0.000 0.199 1462 K C 1.746 178.274 176.600 -0.121 0.000 1.045 1462 K CA 1.619 57.817 56.287 -0.149 0.000 0.962 1462 K CB -0.573 31.853 32.500 -0.123 0.000 0.759 1462 K HN 0.620 nan 8.250 nan 0.000 0.469 1463 T N -1.633 112.867 114.554 -0.090 0.000 3.085 1463 T HA 0.040 4.390 4.350 -0.000 0.000 0.263 1463 T C 0.798 175.474 174.700 -0.041 0.000 1.127 1463 T CA -0.089 61.978 62.100 -0.054 0.000 1.103 1463 T CB -0.109 68.747 68.868 -0.021 0.000 0.921 1463 T HN -0.198 nan 8.240 nan 0.000 0.510 1464 V N 2.579 122.454 119.914 -0.065 0.000 2.408 1464 V HA 0.437 4.557 4.120 -0.000 0.000 0.267 1464 V C -0.058 176.013 176.094 -0.039 0.000 1.047 1464 V CA -0.606 61.679 62.300 -0.025 0.000 0.937 1464 V CB 0.238 32.041 31.823 -0.034 0.000 0.999 1464 V HN 0.441 nan 8.190 nan 0.000 0.472 1465 I N 3.475 124.045 120.570 0.000 0.000 2.498 1465 I HA 0.642 4.812 4.170 -0.000 0.000 0.290 1465 I C 0.869 177.025 176.117 0.064 0.000 1.032 1465 I CA -0.599 60.693 61.300 -0.014 0.000 1.073 1465 I CB 1.910 39.880 38.000 -0.051 0.000 1.251 1465 I HN 0.754 nan 8.210 nan 0.000 0.426 1466 G N 3.367 112.239 108.800 0.121 0.000 2.272 1466 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.280 1466 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.280 1466 G C -0.273 174.766 174.900 0.231 0.000 1.067 1466 G CA 0.065 45.310 45.100 0.241 0.000 0.902 1466 G HN 0.742 nan 8.290 nan 0.000 0.500 1467 D N -0.831 119.701 120.400 0.220 0.000 2.377 1467 D HA 0.357 4.997 4.640 -0.000 0.000 0.245 1467 D C 0.927 177.374 176.300 0.245 0.000 1.196 1467 D CA -0.499 53.642 54.000 0.234 0.000 0.962 1467 D CB 0.364 41.324 40.800 0.268 0.000 1.127 1467 D HN 0.359 nan 8.370 nan 0.000 0.471 1468 H N -0.134 119.008 119.070 0.121 0.000 3.125 1468 H HA 0.275 4.831 4.556 0.000 0.000 0.310 1468 H C 1.365 176.779 175.328 0.144 0.000 0.980 1468 H CA 1.892 57.981 56.048 0.070 0.000 1.422 1468 H CB 0.007 29.802 29.762 0.055 0.000 1.432 1468 H HN 0.587 nan 8.280 nan 0.000 0.577 1469 G N 4.172 112.771 108.800 -0.336 0.000 2.225 1469 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.254 1469 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.254 1469 G C 1.269 175.992 174.900 -0.295 0.000 0.988 1469 G CA 0.493 45.275 45.100 -0.530 0.000 0.625 1469 G HN 0.637 nan 8.290 nan 0.000 0.527 1470 D N 1.022 121.441 120.400 0.032 0.000 2.182 1470 D HA -0.059 4.581 4.640 -0.000 0.000 0.201 1470 D C 2.436 178.776 176.300 0.067 0.000 0.986 1470 D CA 1.440 55.601 54.000 0.268 0.000 0.847 1470 D CB -0.083 40.972 40.800 0.425 0.000 0.942 1470 D HN 0.717 nan 8.370 nan 0.000 0.467 1471 E N 1.254 121.176 120.200 -0.463 0.000 2.204 1471 E HA -0.146 4.204 4.350 -0.000 0.000 0.194 1471 E C 2.196 178.468 176.600 -0.545 0.000 0.989 1471 E CA 0.325 56.060 56.400 -1.108 0.000 0.824 1471 E CB -0.707 28.270 29.700 -1.205 0.000 0.756 1471 E HN 0.331 nan 8.360 nan 0.000 0.477 1472 L N -0.184 120.788 121.223 -0.417 0.000 2.081 1472 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 1472 L C 2.591 179.244 176.870 -0.361 0.000 1.080 1472 L CA 1.618 56.220 54.840 -0.397 0.000 0.754 1472 L CB -0.669 41.018 42.059 -0.619 0.000 0.893 1472 L HN 0.031 nan 8.230 nan 0.000 0.433 1473 F N -0.590 119.277 119.950 -0.138 0.000 2.269 1473 F HA -0.184 4.343 4.527 -0.000 0.000 0.301 1473 F C 2.607 178.357 175.800 -0.084 0.000 1.082 1473 F CA 1.188 59.136 58.000 -0.087 0.000 1.360 1473 F CB -0.371 38.685 39.000 0.093 0.000 1.041 1473 F HN -0.004 nan 8.300 nan 0.000 0.512 1474 S N -0.365 115.347 115.700 0.020 0.000 2.371 1474 S HA -0.077 4.393 4.470 -0.000 0.000 0.221 1474 S C 2.271 176.727 174.600 -0.239 0.000 1.036 1474 S CA 0.765 58.920 58.200 -0.075 0.000 0.965 1474 S CB -0.438 62.708 63.200 -0.089 0.000 0.845 1474 S HN 0.090 nan 8.310 nan 0.000 0.475 1475 V N 1.009 120.676 119.914 -0.412 0.000 2.287 1475 V HA -0.158 3.962 4.120 -0.000 0.000 0.248 1475 V C 1.423 177.215 176.094 -0.503 0.000 1.053 1475 V CA 1.711 63.647 62.300 -0.607 0.000 1.027 1475 V CB -0.667 30.769 31.823 -0.645 0.000 0.646 1475 V HN 0.460 nan 8.190 nan 0.000 0.447 1476 F N 0.398 120.163 119.950 -0.309 0.000 2.645 1476 F HA 0.455 4.982 4.527 -0.000 0.000 0.300 1476 F C 1.626 177.317 175.800 -0.181 0.000 1.115 1476 F CA 0.453 58.297 58.000 -0.260 0.000 1.355 1476 F CB -0.328 38.471 39.000 -0.335 0.000 1.026 1476 F HN 0.247 nan 8.300 nan 0.000 0.536 1477 G N 0.827 109.617 108.800 -0.017 0.000 2.323 1477 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.292 1477 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.292 1477 G C 1.287 176.212 174.900 0.042 0.000 1.040 1477 G CA 0.329 45.483 45.100 0.090 0.000 0.942 1477 G HN 0.588 nan 8.290 nan 0.000 0.506 1478 A N 0.181 122.944 122.820 -0.095 0.000 1.940 1478 A HA 0.079 4.399 4.320 -0.000 0.000 0.219 1478 A C 0.665 178.023 177.584 -0.377 0.000 1.176 1478 A CA 2.161 53.990 52.037 -0.347 0.000 0.631 1478 A CB -0.807 17.814 19.000 -0.633 0.000 0.814 1478 A HN 0.482 nan 8.150 nan 0.000 0.446 1479 P HA -0.112 nan 4.420 nan 0.000 0.223 1479 P C 0.499 177.541 177.300 -0.431 0.000 1.144 1479 P CA 0.948 63.916 63.100 -0.219 0.000 0.783 1479 P CB -0.151 31.291 31.700 -0.431 0.000 0.771 1480 F N -2.697 117.259 119.950 0.011 0.000 2.695 1480 F HA 0.226 4.753 4.527 -0.000 0.000 0.303 1480 F C 1.726 177.552 175.800 0.044 0.000 1.091 1480 F CA 0.215 58.245 58.000 0.049 0.000 1.300 1480 F CB -0.044 38.984 39.000 0.046 0.000 1.071 1480 F HN -0.185 nan 8.300 nan 0.000 0.578 1481 L N -1.364 119.919 121.223 0.100 0.000 2.694 1481 L HA 0.234 4.574 4.340 -0.000 0.000 0.228 1481 L C 0.600 177.481 176.870 0.018 0.000 1.048 1481 L CA 0.181 55.057 54.840 0.060 0.000 0.887 1481 L CB 0.157 42.223 42.059 0.012 0.000 1.265 1481 L HN -0.201 nan 8.230 nan 0.000 0.492 1482 K N 0.465 120.841 120.400 -0.039 0.000 2.177 1482 K HA 0.455 4.775 4.320 -0.000 0.000 0.238 1482 K C -0.616 176.058 176.600 0.124 0.000 1.015 1482 K CA -0.572 55.725 56.287 0.016 0.000 0.922 1482 K CB 1.358 33.809 32.500 -0.081 0.000 1.127 1482 K HN -0.081 nan 8.250 nan 0.000 0.469 1483 E N -0.966 119.329 120.200 0.158 0.000 2.243 1483 E HA 0.379 4.729 4.350 -0.000 0.000 0.260 1483 E C 0.040 176.708 176.600 0.112 0.000 0.985 1483 E CA -0.445 56.027 56.400 0.120 0.000 0.858 1483 E CB 1.540 31.281 29.700 0.068 0.000 1.210 1483 E HN 0.749 nan 8.360 nan 0.000 0.411 1484 G N 0.049 108.868 108.800 0.031 0.000 2.136 1484 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.242 1484 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.242 1484 G C 0.064 174.892 174.900 -0.121 0.000 0.989 1484 G CA 0.041 45.113 45.100 -0.047 0.000 0.682 1484 G HN 0.639 nan 8.290 nan 0.000 0.522 1485 A N 0.316 123.093 122.820 -0.073 0.000 2.331 1485 A HA 0.805 5.125 4.320 -0.000 0.000 0.283 1485 A C 0.963 178.491 177.584 -0.093 0.000 1.142 1485 A CA 0.792 52.754 52.037 -0.125 0.000 0.812 1485 A CB 0.576 19.571 19.000 -0.009 0.000 1.074 1485 A HN 1.945 nan 8.150 nan 0.000 0.497 1486 S N 1.194 116.836 115.700 -0.097 0.000 2.600 1486 S HA 0.183 4.653 4.470 -0.000 0.000 0.265 1486 S C 0.816 175.389 174.600 -0.044 0.000 1.325 1486 S CA 0.302 58.467 58.200 -0.058 0.000 1.002 1486 S CB 0.851 64.025 63.200 -0.044 0.000 0.921 1486 S HN 0.725 nan 8.310 nan 0.000 0.554 1487 E N 0.468 120.651 120.200 -0.027 0.000 2.204 1487 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 1487 E C 1.877 178.465 176.600 -0.021 0.000 0.989 1487 E CA 1.603 57.992 56.400 -0.018 0.000 0.824 1487 E CB -0.271 29.426 29.700 -0.004 0.000 0.756 1487 E HN 0.854 nan 8.360 nan 0.000 0.477 1488 E N 0.182 120.372 120.200 -0.017 0.000 2.072 1488 E HA -0.235 4.115 4.350 -0.000 0.000 0.191 1488 E C 1.933 178.495 176.600 -0.063 0.000 0.985 1488 E CA 1.175 57.562 56.400 -0.022 0.000 0.801 1488 E CB -0.087 29.620 29.700 0.013 0.000 0.750 1488 E HN 0.356 nan 8.360 nan 0.000 0.452 1489 E N 0.255 120.433 120.200 -0.037 0.000 2.106 1489 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 1489 E C 2.152 178.694 176.600 -0.096 0.000 0.984 1489 E CA 0.919 57.280 56.400 -0.064 0.000 0.806 1489 E CB -0.015 29.702 29.700 0.028 0.000 0.750 1489 E HN 0.358 nan 8.360 nan 0.000 0.458 1490 I N 0.457 120.962 120.570 -0.107 0.000 2.226 1490 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 1490 I C 2.777 178.876 176.117 -0.030 0.000 1.100 1490 I CA 0.947 62.142 61.300 -0.174 0.000 1.374 1490 I CB -0.244 37.669 38.000 -0.145 0.000 1.057 1490 I HN 0.084 nan 8.210 nan 0.000 0.413 1491 R N 0.701 121.191 120.500 -0.017 0.000 2.092 1491 R HA -0.182 4.157 4.340 -0.000 0.000 0.231 1491 R C 2.325 178.608 176.300 -0.028 0.000 1.119 1491 R CA 1.218 57.322 56.100 0.006 0.000 0.970 1491 R CB -0.133 30.159 30.300 -0.012 0.000 0.864 1491 R HN 0.216 nan 8.270 nan 0.000 0.440 1492 L N 0.253 121.420 121.223 -0.092 0.000 2.027 1492 L HA -0.116 4.224 4.340 -0.000 0.000 0.206 1492 L C 2.285 179.115 176.870 -0.067 0.000 1.074 1492 L CA 2.106 56.868 54.840 -0.129 0.000 0.745 1492 L CB -0.765 41.108 42.059 -0.311 0.000 0.898 1492 L HN 0.087 nan 8.230 nan 0.000 0.433 1493 S N -0.889 114.786 115.700 -0.042 0.000 2.382 1493 S HA -0.225 4.244 4.470 -0.000 0.000 0.228 1493 S C 2.076 176.693 174.600 0.029 0.000 1.027 1493 S CA 1.532 59.727 58.200 -0.008 0.000 0.991 1493 S CB -0.234 62.979 63.200 0.022 0.000 0.823 1493 S HN 0.535 nan 8.310 nan 0.000 0.469 1494 K N 0.391 120.854 120.400 0.105 0.000 2.057 1494 K HA -0.066 4.254 4.320 -0.000 0.000 0.207 1494 K C 2.330 178.918 176.600 -0.019 0.000 1.049 1494 K CA 1.625 57.963 56.287 0.085 0.000 0.931 1494 K CB -0.281 32.310 32.500 0.151 0.000 0.714 1494 K HN 0.477 nan 8.250 nan 0.000 0.440 1495 M N 0.840 120.406 119.600 -0.056 0.000 2.099 1495 M HA -0.163 4.317 4.480 -0.000 0.000 0.262 1495 M C 1.966 178.183 176.300 -0.138 0.000 1.067 1495 M CA 1.511 56.712 55.300 -0.165 0.000 1.124 1495 M CB 0.045 32.564 32.600 -0.135 0.000 1.353 1495 M HN -0.066 nan 8.290 nan 0.000 0.410 1496 V N 1.211 121.104 119.914 -0.034 0.000 2.287 1496 V HA -0.333 3.787 4.120 -0.000 0.000 0.248 1496 V C 2.461 178.503 176.094 -0.087 0.000 1.053 1496 V CA 2.200 64.469 62.300 -0.051 0.000 1.027 1496 V CB -0.698 30.929 31.823 -0.327 0.000 0.646 1496 V HN 0.574 nan 8.190 nan 0.000 0.447 1497 M N -1.015 118.501 119.600 -0.139 0.000 2.149 1497 M HA -0.182 4.298 4.480 -0.000 0.000 0.261 1497 M C 2.331 178.662 176.300 0.051 0.000 1.064 1497 M CA 1.659 56.903 55.300 -0.093 0.000 1.102 1497 M CB -0.514 32.017 32.600 -0.116 0.000 1.369 1497 M HN 0.229 nan 8.290 nan 0.000 0.408 1498 K N 0.285 120.698 120.400 0.021 0.000 2.002 1498 K HA -0.104 4.215 4.320 -0.000 0.000 0.209 1498 K C 1.861 178.556 176.600 0.159 0.000 1.048 1498 K CA 1.664 57.961 56.287 0.017 0.000 0.930 1498 K CB -0.535 31.888 32.500 -0.128 0.000 0.714 1498 K HN 0.320 nan 8.250 nan 0.000 0.438 1499 F N -0.102 119.995 119.950 0.244 0.000 2.065 1499 F HA -0.278 4.249 4.527 -0.000 0.000 0.298 1499 F C 2.582 178.590 175.800 0.347 0.000 1.112 1499 F CA 0.895 59.103 58.000 0.348 0.000 1.212 1499 F CB -0.315 39.057 39.000 0.620 0.000 0.975 1499 F HN 0.257 nan 8.300 nan 0.000 0.476 1500 W N -0.004 121.403 121.300 0.178 0.000 2.335 1500 W HA -0.247 4.413 4.660 -0.000 0.000 0.311 1500 W C 2.604 179.132 176.519 0.014 0.000 1.213 1500 W CA 0.912 58.273 57.345 0.027 0.000 1.274 1500 W CB -0.568 28.838 29.460 -0.089 0.000 1.148 1500 W HN 0.004 nan 8.180 nan 0.000 0.498 1501 A N 0.310 123.271 122.820 0.234 0.000 1.968 1501 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 1501 A C 1.698 179.334 177.584 0.086 0.000 1.169 1501 A CA 1.540 53.638 52.037 0.101 0.000 0.638 1501 A CB -0.861 18.176 19.000 0.063 0.000 0.812 1501 A HN 0.221 nan 8.150 nan 0.000 0.446 1502 N N -0.817 117.959 118.700 0.127 0.000 2.142 1502 N HA -0.125 4.615 4.740 -0.000 0.000 0.186 1502 N C 1.389 176.927 175.510 0.047 0.000 1.023 1502 N CA 1.357 54.459 53.050 0.087 0.000 0.852 1502 N CB -0.581 37.983 38.487 0.129 0.000 0.998 1502 N HN 0.519 nan 8.380 nan 0.000 0.424 1503 F N 1.749 121.638 119.950 -0.101 0.000 2.134 1503 F HA -0.079 4.448 4.527 -0.000 0.000 0.299 1503 F C 2.181 177.904 175.800 -0.129 0.000 1.097 1503 F CA 1.277 59.154 58.000 -0.206 0.000 1.264 1503 F CB -0.427 38.357 39.000 -0.360 0.000 1.001 1503 F HN 0.031 nan 8.300 nan 0.000 0.479 1504 A N 0.419 123.211 122.820 -0.047 0.000 1.933 1504 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 1504 A C 2.363 179.872 177.584 -0.125 0.000 1.175 1504 A CA 1.721 53.696 52.037 -0.104 0.000 0.628 1504 A CB -0.651 18.325 19.000 -0.040 0.000 0.814 1504 A HN 0.449 nan 8.150 nan 0.000 0.444 1505 R N -0.762 119.687 120.500 -0.084 0.000 2.062 1505 R HA -0.024 4.316 4.340 -0.000 0.000 0.229 1505 R C 0.985 177.222 176.300 -0.106 0.000 1.128 1505 R CA 1.480 57.538 56.100 -0.070 0.000 0.960 1505 R CB -0.130 30.152 30.300 -0.029 0.000 0.855 1505 R HN 0.535 nan 8.270 nan 0.000 0.432 1506 N N -1.675 116.943 118.700 -0.135 0.000 2.210 1506 N HA 0.082 4.822 4.740 -0.000 0.000 0.203 1506 N C 0.700 176.086 175.510 -0.207 0.000 1.175 1506 N CA 0.882 53.853 53.050 -0.131 0.000 0.894 1506 N CB 1.714 40.162 38.487 -0.065 0.000 1.041 1506 N HN 0.338 nan 8.380 nan 0.000 0.506 1507 G N 1.451 109.990 108.800 -0.435 0.000 2.136 1507 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.242 1507 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.242 1507 G C -0.208 174.519 174.900 -0.288 0.000 0.989 1507 G CA 0.147 44.872 45.100 -0.625 0.000 0.682 1507 G HN 0.463 nan 8.290 nan 0.000 0.522 1508 N N -0.445 118.134 118.700 -0.202 0.000 2.425 1508 N HA 0.413 5.153 4.740 -0.000 0.000 0.289 1508 N C -1.842 173.564 175.510 -0.173 0.000 1.074 1508 N CA -1.346 51.616 53.050 -0.146 0.000 0.905 1508 N CB 2.413 40.908 38.487 0.013 0.000 1.586 1508 N HN -0.064 nan 8.380 nan 0.000 0.490 1509 P HA -0.018 nan 4.420 nan 0.000 0.229 1509 P C -0.217 177.186 177.300 0.172 0.000 1.160 1509 P CA 0.369 63.371 63.100 -0.164 0.000 0.777 1509 P CB 0.348 31.625 31.700 -0.705 0.000 0.814 1510 N N 0.820 119.576 118.700 0.093 0.000 2.441 1510 N HA 0.274 5.014 4.740 -0.000 0.000 0.251 1510 N C 0.887 176.514 175.510 0.195 0.000 1.242 1510 N CA 1.092 54.288 53.050 0.244 0.000 0.898 1510 N CB 0.535 39.158 38.487 0.227 0.000 1.100 1510 N HN 0.143 nan 8.380 nan 0.000 0.443 1511 G N 0.061 108.980 108.800 0.198 0.000 2.576 1511 G HA2 0.187 4.146 3.960 -0.000 0.000 0.290 1511 G HA3 0.187 4.146 3.960 -0.000 0.000 0.290 1511 G C -1.461 173.500 174.900 0.101 0.000 1.442 1511 G CA -0.685 44.486 45.100 0.118 0.000 0.792 1511 G HN 0.412 nan 8.290 nan 0.000 0.491 1512 E N -0.300 119.941 120.200 0.068 0.000 2.344 1512 E HA 0.409 4.759 4.350 -0.000 0.000 0.270 1512 E C 1.121 177.740 176.600 0.032 0.000 1.021 1512 E CA 0.911 57.345 56.400 0.055 0.000 0.887 1512 E CB 1.183 30.909 29.700 0.042 0.000 0.997 1512 E HN 1.585 nan 8.360 nan 0.000 0.429 1513 G N 2.727 111.548 108.800 0.035 0.000 2.175 1513 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.244 1513 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.244 1513 G C 0.036 174.931 174.900 -0.009 0.000 0.982 1513 G CA -0.256 44.851 45.100 0.012 0.000 0.641 1513 G HN 0.379 nan 8.290 nan 0.000 0.527 1514 L N 0.862 122.089 121.223 0.007 0.000 2.334 1514 L HA 0.576 4.916 4.340 -0.000 0.000 0.273 1514 L C -1.923 175.049 176.870 0.170 0.000 1.013 1514 L CA -2.403 52.420 54.840 -0.028 0.000 0.816 1514 L CB 1.569 43.493 42.059 -0.225 0.000 1.278 1514 L HN -0.150 nan 8.230 nan 0.000 0.431 1515 P HA -0.027 nan 4.420 nan 0.000 0.268 1515 P C -0.880 176.664 177.300 0.407 0.000 1.208 1515 P CA -0.088 63.186 63.100 0.290 0.000 0.777 1515 P CB 0.257 32.116 31.700 0.265 0.000 0.875 1516 H N 1.840 121.052 119.070 0.238 0.000 2.848 1516 H HA 0.153 4.709 4.556 -0.000 0.000 0.317 1516 H C -0.997 174.509 175.328 0.296 0.000 1.046 1516 H CA 0.018 56.223 56.048 0.262 0.000 1.470 1516 H CB 0.139 30.009 29.762 0.182 0.000 1.483 1516 H HN 0.351 nan 8.280 nan 0.000 0.548 1517 W N 10.076 131.112 121.300 -0.440 0.000 2.278 1517 W HA 0.310 4.970 4.660 -0.000 0.000 0.317 1517 W C -2.774 173.522 176.519 -0.372 0.000 1.030 1517 W CA -3.196 53.949 57.345 -0.334 0.000 1.334 1517 W CB 0.777 30.028 29.460 -0.348 0.000 1.215 1517 W HN 0.571 nan 8.180 nan 0.000 0.405 1518 P HA 0.049 nan 4.420 nan 0.000 0.274 1518 P C -0.350 177.170 177.300 0.367 0.000 1.231 1518 P CA 0.113 63.350 63.100 0.229 0.000 0.790 1518 P CB 1.438 33.279 31.700 0.234 0.000 0.951 1519 E N 1.443 121.750 120.200 0.178 0.000 2.383 1519 E HA -0.013 4.337 4.350 -0.000 0.000 0.264 1519 E C -0.878 175.715 176.600 -0.013 0.000 1.050 1519 E CA -0.543 55.750 56.400 -0.177 0.000 0.896 1519 E CB 0.223 29.783 29.700 -0.234 0.000 0.982 1519 E HN 0.358 nan 8.360 nan 0.000 0.424 1520 Y N 5.854 126.040 120.300 -0.191 0.000 2.530 1520 Y HA 0.064 4.614 4.550 -0.000 0.000 0.340 1520 Y C -0.379 175.500 175.900 -0.034 0.000 1.247 1520 Y CA -0.323 57.761 58.100 -0.028 0.000 1.727 1520 Y CB -0.733 37.722 38.460 -0.009 0.000 1.613 1520 Y HN 0.487 nan 8.280 nan 0.000 0.464 1521 N N 0.438 119.010 118.700 -0.213 0.000 2.752 1521 N HA 0.112 4.852 4.740 -0.000 0.000 0.316 1521 N C 0.743 176.091 175.510 -0.270 0.000 1.343 1521 N CA -0.409 52.533 53.050 -0.180 0.000 0.875 1521 N CB 0.182 38.621 38.487 -0.079 0.000 1.120 1521 N HN 0.212 nan 8.380 nan 0.000 0.562 1522 Q N -0.228 119.483 119.800 -0.148 0.000 2.297 1522 Q HA -0.046 4.294 4.340 -0.000 0.000 0.208 1522 Q C 0.981 176.906 176.000 -0.126 0.000 0.981 1522 Q CA 1.327 57.054 55.803 -0.126 0.000 0.876 1522 Q CB -0.350 28.352 28.738 -0.060 0.000 0.921 1522 Q HN 0.619 nan 8.270 nan 0.000 0.446 1523 K N 0.542 120.878 120.400 -0.106 0.000 2.432 1523 K HA -0.030 4.290 4.320 -0.000 0.000 0.196 1523 K C -0.082 176.471 176.600 -0.078 0.000 1.038 1523 K CA 0.021 56.274 56.287 -0.057 0.000 0.986 1523 K CB 0.251 32.746 32.500 -0.009 0.000 0.782 1523 K HN 0.211 nan 8.250 nan 0.000 0.485 1524 E N 0.006 120.055 120.200 -0.252 0.000 2.320 1524 E HA -0.151 4.199 4.350 -0.000 0.000 0.234 1524 E C -0.022 176.650 176.600 0.120 0.000 1.183 1524 E CA 0.093 56.263 56.400 -0.384 0.000 0.713 1524 E CB -1.639 27.945 29.700 -0.194 0.000 1.226 1524 E HN 0.495 nan 8.360 nan 0.000 0.382 1525 G N 0.688 109.580 108.800 0.153 0.000 2.467 1525 G HA2 0.420 4.380 3.960 -0.000 0.000 0.257 1525 G HA3 0.420 4.380 3.960 -0.000 0.000 0.257 1525 G C -0.318 174.888 174.900 0.509 0.000 1.227 1525 G CA 0.073 45.340 45.100 0.279 0.000 0.835 1525 G HN 0.320 nan 8.290 nan 0.000 0.556 1526 Y N -0.387 120.052 120.300 0.230 0.000 2.655 1526 Y HA 0.699 5.249 4.550 0.000 0.000 0.336 1526 Y C -1.527 174.360 175.900 -0.021 0.000 1.154 1526 Y CA -1.803 56.420 58.100 0.206 0.000 1.055 1526 Y CB 1.609 40.172 38.460 0.171 0.000 1.295 1526 Y HN 0.550 nan 8.280 nan 0.000 0.465 1527 L N 2.592 123.673 121.223 -0.237 0.000 2.296 1527 L HA 0.475 4.815 4.340 -0.000 0.000 0.286 1527 L C -0.867 175.843 176.870 -0.268 0.000 1.023 1527 L CA -0.414 54.069 54.840 -0.595 0.000 0.812 1527 L CB 1.729 42.889 42.059 -1.499 0.000 1.223 1527 L HN 0.762 nan 8.230 nan 0.000 0.421 1528 Q N 6.058 125.706 119.800 -0.252 0.000 2.349 1528 Q HA 0.457 4.797 4.340 -0.000 0.000 0.254 1528 Q C -0.989 174.957 176.000 -0.092 0.000 0.980 1528 Q CA -0.064 55.698 55.803 -0.069 0.000 0.924 1528 Q CB 1.422 30.113 28.738 -0.077 0.000 1.209 1528 Q HN 0.579 nan 8.270 nan 0.000 0.445 1529 I N 2.016 122.566 120.570 -0.034 0.000 2.336 1529 I HA 0.678 4.848 4.170 -0.000 0.000 0.292 1529 I C 0.626 176.613 176.117 -0.216 0.000 0.991 1529 I CA -0.286 60.977 61.300 -0.062 0.000 1.227 1529 I CB 1.484 39.533 38.000 0.082 0.000 1.366 1529 I HN 0.766 nan 8.210 nan 0.000 0.466 1530 G N 3.240 111.912 108.800 -0.214 0.000 2.356 1530 G HA2 0.358 4.318 3.960 -0.000 0.000 0.281 1530 G HA3 0.358 4.318 3.960 -0.000 0.000 0.281 1530 G C 0.293 175.104 174.900 -0.149 0.000 1.246 1530 G CA 0.076 45.023 45.100 -0.255 0.000 0.889 1530 G HN 0.548 nan 8.290 nan 0.000 0.486 1531 A N -0.547 122.268 122.820 -0.009 0.000 1.917 1531 A HA 0.065 4.385 4.320 -0.000 0.000 0.219 1531 A C 0.986 178.556 177.584 -0.023 0.000 1.182 1531 A CA 1.625 53.669 52.037 0.011 0.000 0.633 1531 A CB -0.458 18.595 19.000 0.089 0.000 0.819 1531 A HN 0.459 nan 8.150 nan 0.000 0.448 1532 N N 0.456 119.142 118.700 -0.022 0.000 2.446 1532 N HA 0.319 5.058 4.740 -0.000 0.000 0.265 1532 N C -1.404 174.086 175.510 -0.033 0.000 0.975 1532 N CA 0.069 53.107 53.050 -0.020 0.000 0.928 1532 N CB 1.469 39.949 38.487 -0.012 0.000 1.160 1532 N HN 0.082 nan 8.380 nan 0.000 0.495 1533 T N 3.348 117.888 114.554 -0.022 0.000 2.756 1533 T HA 0.374 4.724 4.350 -0.000 0.000 0.290 1533 T C -0.089 174.599 174.700 -0.020 0.000 0.985 1533 T CA -0.673 61.412 62.100 -0.024 0.000 0.955 1533 T CB 0.911 69.795 68.868 0.026 0.000 0.930 1533 T HN 0.432 nan 8.240 nan 0.000 0.451 1534 Q N 1.660 121.420 119.800 -0.067 0.000 2.472 1534 Q HA 0.653 4.993 4.340 -0.000 0.000 0.281 1534 Q C -1.449 174.460 176.000 -0.151 0.000 0.997 1534 Q CA -1.162 54.602 55.803 -0.066 0.000 0.828 1534 Q CB 1.561 30.276 28.738 -0.039 0.000 1.443 1534 Q HN 0.585 nan 8.270 nan 0.000 0.390 1535 A N 0.847 123.595 122.820 -0.121 0.000 2.407 1535 A HA 0.753 5.073 4.320 -0.000 0.000 0.248 1535 A C -0.241 177.196 177.584 -0.245 0.000 1.082 1535 A CA 0.595 52.521 52.037 -0.184 0.000 0.785 1535 A CB 0.162 19.141 19.000 -0.035 0.000 1.020 1535 A HN 1.117 nan 8.150 nan 0.000 0.489 1536 A N 1.250 123.796 122.820 -0.458 0.000 2.524 1536 A HA 0.789 5.109 4.320 -0.000 0.000 0.289 1536 A C -0.704 176.707 177.584 -0.288 0.000 1.248 1536 A CA -0.598 51.174 52.037 -0.443 0.000 0.712 1536 A CB 1.074 19.663 19.000 -0.685 0.000 1.312 1536 A HN 0.844 nan 8.150 nan 0.000 0.441 1537 Q N -0.124 119.707 119.800 0.051 0.000 2.456 1537 Q HA 0.535 4.874 4.340 -0.000 0.000 0.283 1537 Q C -1.445 174.807 176.000 0.419 0.000 1.084 1537 Q CA -1.011 54.959 55.803 0.278 0.000 0.801 1537 Q CB 2.076 30.896 28.738 0.137 0.000 1.434 1537 Q HN 0.625 nan 8.270 nan 0.000 0.419 1538 K N 1.138 121.738 120.400 0.333 0.000 3.974 1538 K HA -0.211 4.109 4.320 -0.000 0.000 0.280 1538 K C -0.798 175.884 176.600 0.135 0.000 0.949 1538 K CA -0.002 56.410 56.287 0.209 0.000 0.817 1538 K CB -1.207 31.375 32.500 0.138 0.000 1.535 1538 K HN 0.421 nan 8.250 nan 0.000 0.444 1539 L N 2.321 123.510 121.223 -0.057 0.000 2.462 1539 L HA 0.040 4.380 4.340 -0.000 0.000 0.272 1539 L C 0.639 177.439 176.870 -0.116 0.000 1.166 1539 L CA 0.608 55.222 54.840 -0.377 0.000 0.880 1539 L CB 0.375 41.894 42.059 -0.899 0.000 1.142 1539 L HN 0.340 nan 8.230 nan 0.000 0.473 1540 K N 2.866 123.234 120.400 -0.053 0.000 3.020 1540 K HA -0.296 4.024 4.320 -0.000 0.000 0.266 1540 K C 0.920 177.565 176.600 0.076 0.000 1.067 1540 K CA 1.172 57.479 56.287 0.032 0.000 0.780 1540 K CB -1.581 30.936 32.500 0.029 0.000 1.220 1540 K HN 0.943 nan 8.250 nan 0.000 0.483 1541 D N 1.151 121.593 120.400 0.070 0.000 2.106 1541 D HA -0.146 4.494 4.640 -0.000 0.000 0.191 1541 D C 1.607 177.963 176.300 0.094 0.000 0.997 1541 D CA 1.935 55.986 54.000 0.085 0.000 0.834 1541 D CB 0.203 41.049 40.800 0.077 0.000 0.956 1541 D HN 0.505 nan 8.370 nan 0.000 0.448 1542 K N -0.265 120.183 120.400 0.080 0.000 2.057 1542 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 1542 K C 2.234 178.913 176.600 0.132 0.000 1.050 1542 K CA 1.209 57.540 56.287 0.074 0.000 0.935 1542 K CB -0.082 32.431 32.500 0.022 0.000 0.715 1542 K HN 0.139 nan 8.250 nan 0.000 0.439 1543 E N 0.656 120.962 120.200 0.177 0.000 2.077 1543 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 1543 E C 1.997 178.869 176.600 0.453 0.000 0.989 1543 E CA 1.008 57.623 56.400 0.358 0.000 0.800 1543 E CB -0.225 29.712 29.700 0.395 0.000 0.746 1543 E HN 0.002 nan 8.360 nan 0.000 0.452 1544 V N 0.967 121.055 119.914 0.291 0.000 2.343 1544 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 1544 V C 2.208 178.430 176.094 0.213 0.000 1.051 1544 V CA 1.826 64.277 62.300 0.252 0.000 1.036 1544 V CB -0.891 31.027 31.823 0.159 0.000 0.654 1544 V HN 0.364 nan 8.190 nan 0.000 0.451 1545 A N -0.223 122.694 122.820 0.161 0.000 1.877 1545 A HA -0.244 4.076 4.320 -0.000 0.000 0.216 1545 A C 2.124 179.752 177.584 0.073 0.000 1.186 1545 A CA 2.091 54.191 52.037 0.105 0.000 0.620 1545 A CB -0.750 18.302 19.000 0.086 0.000 0.822 1545 A HN 0.522 nan 8.150 nan 0.000 0.443 1546 F N -0.756 119.164 119.950 -0.050 0.000 2.069 1546 F HA -0.191 4.335 4.527 -0.000 0.000 0.298 1546 F C 1.970 177.602 175.800 -0.280 0.000 1.113 1546 F CA 1.782 59.653 58.000 -0.216 0.000 1.214 1546 F CB -0.611 38.172 39.000 -0.363 0.000 0.978 1546 F HN 0.383 nan 8.300 nan 0.000 0.474 1547 W N 0.303 121.487 121.300 -0.194 0.000 2.436 1547 W HA -0.085 4.574 4.660 -0.001 0.000 0.284 1547 W C 2.558 178.951 176.519 -0.209 0.000 1.225 1547 W CA 1.498 58.632 57.345 -0.352 0.000 1.271 1547 W CB -0.988 28.465 29.460 -0.011 0.000 1.114 1547 W HN -0.140 nan 8.180 nan 0.000 0.559 1548 T N -0.071 114.569 114.554 0.144 0.000 2.821 1548 T HA -0.241 4.109 4.350 -0.000 0.000 0.267 1548 T C 1.430 176.147 174.700 0.029 0.000 1.046 1548 T CA 1.762 63.946 62.100 0.139 0.000 1.139 1548 T CB -0.469 68.464 68.868 0.109 0.000 0.871 1548 T HN 0.168 nan 8.240 nan 0.000 0.454 1549 N N 0.829 119.471 118.700 -0.098 0.000 2.135 1549 N HA -0.044 4.696 4.740 -0.000 0.000 0.186 1549 N C 1.767 177.145 175.510 -0.221 0.000 1.027 1549 N CA 0.747 53.712 53.050 -0.141 0.000 0.849 1549 N CB -0.487 37.898 38.487 -0.169 0.000 1.002 1549 N HN 0.152 nan 8.380 nan 0.000 0.425 1550 L N -0.063 120.874 121.223 -0.477 0.000 2.012 1550 L HA -0.008 4.332 4.340 -0.000 0.000 0.210 1550 L C 1.485 178.187 176.870 -0.280 0.000 1.073 1550 L CA 1.697 56.208 54.840 -0.549 0.000 0.748 1550 L CB -0.969 40.457 42.059 -1.056 0.000 0.891 1550 L HN 0.271 nan 8.230 nan 0.000 0.431 1551 F N -0.896 119.031 119.950 -0.038 0.000 2.771 1551 F HA -0.001 4.526 4.527 -0.001 0.000 0.299 1551 F C 2.026 177.824 175.800 -0.003 0.000 1.177 1551 F CA 0.268 58.277 58.000 0.015 0.000 1.450 1551 F CB -0.320 38.704 39.000 0.041 0.000 1.114 1551 F HN 0.232 nan 8.300 nan 0.000 0.587 1552 A N -0.257 122.629 122.820 0.110 0.000 2.348 1552 A HA 0.231 4.551 4.320 -0.000 0.000 0.224 1552 A C 0.681 178.288 177.584 0.038 0.000 1.227 1552 A CA -0.030 52.047 52.037 0.067 0.000 0.885 1552 A CB -0.077 18.943 19.000 0.033 0.000 0.933 1552 A HN 0.288 nan 8.150 nan 0.000 0.506 1553 K N 0.000 120.418 120.400 0.029 0.000 2.780 1553 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1553 K CA 0.000 56.296 56.287 0.014 0.000 0.838 1553 K CB 0.000 32.519 32.500 0.032 0.000 1.064 1553 K HN 0.000 nan 8.250 nan 0.000 0.543