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 3k9b_1_A DATA FIRST_RESID 1024 DATA SEQUENCE PVVDTVHGKV LGKFVSLEGF AQPVAIFLGI PFAKPPLGPL RFTPPQPAEP DATA SEQUENCE WSFVKNATSY PPMcTQDPKA GQLLSELFTN RKENIPLKLS EDcLYLNIYT DATA SEQUENCE PADLTKKNRL PVMVWIHGGG LMVGAASTYD GLALAAHENV VVVTIQYRLG DATA SEQUENCE IWGFFSTGDE HSRGNWGHLD QVAALRWVQD NIASFGGNPG SVTIFGESAG DATA SEQUENCE GESVSVLVLS PLAKNLFHRA ISESGVALTS VLVKKGDVKP LAEQIAITAG DATA SEQUENCE cKTTTSAVMV HcLRQKTEEE LLETTLKMKF XXXXXXXXXX XXXXXLGTVI DATA SEQUENCE DGMLLLKTPE ELQAERXXXT VPYMVGINKQ EFGWLIPMXL MSYPLXXXXX DATA SEQUENCE XQKTAMSLLW KSYPLVCIAK ELIPEATEKY LGXXXXXVKK KDLFLDLIAD DATA SEQUENCE VMFGVPSVIV ARNHRDAGAP TYMYEFXXXX XFSSDMKPKT VIGDHGDELF DATA SEQUENCE SVFGAPFLKX XXXXXEIRLS KMVMKFWANF ARNGNPNGEG LPHWPEYNQK DATA SEQUENCE EGYLQIGANT QAAQKLKDKE VAFWTN 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 1024 P HA 0.000 nan 4.420 nan 0.000 0.216 1024 P C 0.000 177.308 177.300 0.013 0.000 1.155 1024 P CA 0.000 62.974 63.100 -0.210 0.000 0.800 1024 P CB 0.000 31.294 31.700 -0.677 0.000 0.726 1025 V N 1.907 121.879 119.914 0.097 0.000 2.409 1025 V HA 0.461 4.581 4.120 -0.000 0.000 0.290 1025 V C 0.207 176.344 176.094 0.072 0.000 1.017 1025 V CA -0.575 61.804 62.300 0.131 0.000 0.841 1025 V CB 1.846 33.723 31.823 0.090 0.000 1.003 1025 V HN 0.482 nan 8.190 nan 0.000 0.426 1026 V N 3.106 123.030 119.914 0.016 0.000 2.716 1026 V HA 0.483 4.603 4.120 -0.000 0.000 0.304 1026 V C -0.321 175.681 176.094 -0.154 0.000 1.053 1026 V CA -0.504 61.642 62.300 -0.256 0.000 0.984 1026 V CB 2.191 33.483 31.823 -0.884 0.000 1.021 1026 V HN 0.883 nan 8.190 nan 0.000 0.467 1027 D N 2.125 122.415 120.400 -0.183 0.000 2.460 1027 D HA 0.388 5.028 4.640 -0.000 0.000 0.232 1027 D C 0.162 176.396 176.300 -0.110 0.000 1.079 1027 D CA -0.183 53.763 54.000 -0.090 0.000 0.864 1027 D CB 1.271 42.027 40.800 -0.074 0.000 1.048 1027 D HN 0.764 nan 8.370 nan 0.000 0.523 1028 T N -0.558 113.980 114.554 -0.027 0.000 2.852 1028 T HA 0.264 4.614 4.350 -0.000 0.000 0.281 1028 T C 1.528 176.142 174.700 -0.142 0.000 0.993 1028 T CA -0.571 61.511 62.100 -0.029 0.000 0.933 1028 T CB 0.822 69.823 68.868 0.221 0.000 1.187 1028 T HN 0.002 nan 8.240 nan 0.000 0.559 1029 V N 0.954 120.721 119.914 -0.246 0.000 2.515 1029 V HA -0.084 4.036 4.120 -0.000 0.000 0.250 1029 V C 2.288 178.161 176.094 -0.368 0.000 1.058 1029 V CA 1.467 63.564 62.300 -0.339 0.000 1.064 1029 V CB -1.105 30.431 31.823 -0.478 0.000 0.675 1029 V HN 0.843 nan 8.190 nan 0.000 0.461 1030 H N -0.281 118.616 119.070 -0.287 0.000 2.539 1030 H HA 0.480 5.036 4.556 0.000 0.000 0.269 1030 H C 0.985 175.575 175.328 -1.230 0.000 0.980 1030 H CA 0.863 56.546 56.048 -0.608 0.000 1.152 1030 H CB 0.605 30.045 29.762 -0.536 0.000 1.407 1030 H HN 0.518 nan 8.280 nan 0.000 0.564 1031 G N 0.199 108.558 108.800 -0.734 0.000 2.369 1031 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.295 1031 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.295 1031 G C -1.381 173.486 174.900 -0.053 0.000 1.298 1031 G CA -1.139 43.548 45.100 -0.688 0.000 0.940 1031 G HN 0.042 nan 8.290 nan 0.000 0.536 1032 K N -0.327 120.198 120.400 0.209 0.000 2.174 1032 K HA 0.626 4.946 4.320 -0.000 0.000 0.275 1032 K C 0.140 177.054 176.600 0.523 0.000 1.015 1032 K CA -0.599 55.872 56.287 0.307 0.000 0.933 1032 K CB 1.999 34.629 32.500 0.216 0.000 1.025 1032 K HN 0.944 nan 8.250 nan 0.000 0.463 1033 V N 0.448 120.590 119.914 0.380 0.000 2.680 1033 V HA 0.539 4.659 4.120 -0.000 0.000 0.309 1033 V C -1.041 175.256 176.094 0.339 0.000 1.052 1033 V CA -1.229 61.293 62.300 0.369 0.000 0.908 1033 V CB 1.476 33.545 31.823 0.411 0.000 1.001 1033 V HN 0.570 nan 8.190 nan 0.000 0.431 1034 L N 4.344 125.730 121.223 0.271 0.000 2.296 1034 L HA 0.978 5.318 4.340 -0.000 0.000 0.286 1034 L C 0.434 177.367 176.870 0.105 0.000 1.023 1034 L CA 0.625 55.579 54.840 0.191 0.000 0.812 1034 L CB 1.022 43.129 42.059 0.081 0.000 1.223 1034 L HN 1.043 nan 8.230 nan 0.000 0.421 1035 G N 4.016 112.747 108.800 -0.114 0.000 2.990 1035 G HA2 0.651 4.611 3.960 -0.000 0.000 0.208 1035 G HA3 0.651 4.611 3.960 -0.000 0.000 0.208 1035 G C -1.363 173.206 174.900 -0.553 0.000 1.334 1035 G CA -0.619 44.079 45.100 -0.670 0.000 1.024 1035 G HN 0.769 nan 8.290 nan 0.000 0.574 1036 K N -1.273 118.735 120.400 -0.652 0.000 2.508 1036 K HA 0.571 4.891 4.320 -0.000 0.000 0.260 1036 K C -1.794 174.542 176.600 -0.441 0.000 0.949 1036 K CA -0.829 55.199 56.287 -0.432 0.000 0.834 1036 K CB 1.896 34.249 32.500 -0.245 0.000 1.365 1036 K HN 0.281 nan 8.250 nan 0.000 0.437 1037 F N 1.330 121.210 119.950 -0.117 0.000 2.394 1037 F HA 0.432 4.959 4.527 0.000 0.000 0.340 1037 F C -0.246 175.532 175.800 -0.037 0.000 1.105 1037 F CA -0.666 57.294 58.000 -0.066 0.000 1.124 1037 F CB 1.979 40.961 39.000 -0.029 0.000 1.145 1037 F HN 0.102 nan 8.300 nan 0.000 0.505 1038 V N 2.440 122.476 119.914 0.204 0.000 2.623 1038 V HA 0.309 4.429 4.120 -0.000 0.000 0.304 1038 V C -0.665 175.504 176.094 0.125 0.000 1.054 1038 V CA -0.827 61.551 62.300 0.130 0.000 0.882 1038 V CB 1.941 33.824 31.823 0.100 0.000 1.002 1038 V HN 0.728 nan 8.190 nan 0.000 0.424 1039 S N 4.571 120.331 115.700 0.101 0.000 2.462 1039 S HA 0.656 5.126 4.470 -0.000 0.000 0.294 1039 S C -0.520 174.137 174.600 0.095 0.000 1.144 1039 S CA -0.370 57.886 58.200 0.093 0.000 1.088 1039 S CB 1.346 64.595 63.200 0.082 0.000 1.009 1039 S HN 0.573 nan 8.310 nan 0.000 0.484 1040 L N 3.691 124.964 121.223 0.084 0.000 2.289 1040 L HA 0.370 4.710 4.340 -0.000 0.000 0.285 1040 L C 0.084 177.109 176.870 0.257 0.000 1.049 1040 L CA -0.156 54.742 54.840 0.097 0.000 0.804 1040 L CB 0.522 42.513 42.059 -0.113 0.000 1.195 1040 L HN 0.622 nan 8.230 nan 0.000 0.428 1041 E N 4.313 124.654 120.200 0.235 0.000 2.900 1041 E HA 0.157 4.507 4.350 -0.000 0.000 0.259 1041 E C 0.940 177.714 176.600 0.290 0.000 0.918 1041 E CA 1.135 57.670 56.400 0.225 0.000 0.960 1041 E CB -0.036 29.779 29.700 0.192 0.000 0.908 1041 E HN 0.975 nan 8.360 nan 0.000 0.511 1042 G N 2.765 111.647 108.800 0.137 0.000 2.160 1042 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.244 1042 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.244 1042 G C -0.458 174.246 174.900 -0.326 0.000 1.022 1042 G CA -0.282 44.784 45.100 -0.056 0.000 0.741 1042 G HN 0.380 nan 8.290 nan 0.000 0.508 1043 F N -1.029 118.907 119.950 -0.024 0.000 2.547 1043 F HA 0.682 5.209 4.527 0.000 0.000 0.316 1043 F C 1.031 176.816 175.800 -0.025 0.000 1.121 1043 F CA -0.202 57.774 58.000 -0.040 0.000 0.911 1043 F CB 1.714 40.676 39.000 -0.065 0.000 1.179 1043 F HN 0.085 nan 8.300 nan 0.000 0.443 1044 A N 1.633 124.506 122.820 0.088 0.000 1.898 1044 A HA -0.058 4.262 4.320 -0.000 0.000 0.214 1044 A C 0.989 178.606 177.584 0.056 0.000 1.183 1044 A CA 0.854 52.918 52.037 0.045 0.000 0.622 1044 A CB -0.334 18.672 19.000 0.008 0.000 0.824 1044 A HN 0.627 nan 8.150 nan 0.000 0.444 1045 Q N 1.205 121.062 119.800 0.094 0.000 2.323 1045 Q HA 0.370 4.710 4.340 -0.000 0.000 0.257 1045 Q C -2.497 173.554 176.000 0.085 0.000 1.022 1045 Q CA -2.661 53.183 55.803 0.067 0.000 0.919 1045 Q CB 0.676 29.466 28.738 0.087 0.000 1.220 1045 Q HN 0.348 nan 8.270 nan 0.000 0.427 1046 P HA 0.120 nan 4.420 nan 0.000 0.275 1046 P C -0.975 176.423 177.300 0.164 0.000 1.266 1046 P CA -0.403 62.743 63.100 0.077 0.000 0.793 1046 P CB 0.734 32.436 31.700 0.004 0.000 1.074 1047 V N -0.308 119.728 119.914 0.203 0.000 2.630 1047 V HA 0.619 4.739 4.120 -0.000 0.000 0.305 1047 V C 0.281 176.534 176.094 0.265 0.000 1.046 1047 V CA -0.891 61.547 62.300 0.228 0.000 0.934 1047 V CB 1.339 33.258 31.823 0.161 0.000 1.003 1047 V HN 0.766 nan 8.190 nan 0.000 0.451 1048 A N 5.136 128.071 122.820 0.191 0.000 2.260 1048 A HA 0.779 5.099 4.320 -0.000 0.000 0.308 1048 A C -0.577 176.895 177.584 -0.186 0.000 1.254 1048 A CA -0.323 51.636 52.037 -0.130 0.000 0.874 1048 A CB 0.033 19.006 19.000 -0.045 0.000 1.153 1048 A HN 0.739 nan 8.150 nan 0.000 0.527 1049 I N 2.618 122.917 120.570 -0.452 0.000 2.362 1049 I HA 0.340 4.510 4.170 -0.000 0.000 0.289 1049 I C -1.273 174.443 176.117 -0.667 0.000 0.994 1049 I CA -0.233 60.786 61.300 -0.469 0.000 1.158 1049 I CB 1.312 39.100 38.000 -0.352 0.000 1.315 1049 I HN 0.562 nan 8.210 nan 0.000 0.451 1050 F N 6.954 126.759 119.950 -0.241 0.000 2.347 1050 F HA 0.458 4.985 4.527 -0.000 0.000 0.366 1050 F C -0.158 175.510 175.800 -0.219 0.000 1.107 1050 F CA -0.527 57.386 58.000 -0.144 0.000 1.058 1050 F CB 0.948 39.970 39.000 0.037 0.000 1.236 1050 F HN 0.135 nan 8.300 nan 0.000 0.456 1051 L N 3.044 124.188 121.223 -0.131 0.000 2.289 1051 L HA 0.643 4.983 4.340 -0.000 0.000 0.285 1051 L C 0.766 177.558 176.870 -0.130 0.000 1.049 1051 L CA -0.853 53.878 54.840 -0.182 0.000 0.804 1051 L CB 1.229 43.044 42.059 -0.406 0.000 1.195 1051 L HN 0.875 nan 8.230 nan 0.000 0.428 1052 G N 4.186 112.939 108.800 -0.078 0.000 2.422 1052 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.290 1052 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.290 1052 G C -0.510 174.393 174.900 0.006 0.000 1.059 1052 G CA -0.468 44.558 45.100 -0.123 0.000 1.242 1052 G HN 0.499 nan 8.290 nan 0.000 0.520 1053 I N 2.098 122.724 120.570 0.094 0.000 2.354 1053 I HA 0.324 4.494 4.170 -0.000 0.000 0.292 1053 I C -1.815 174.333 176.117 0.052 0.000 0.989 1053 I CA -2.678 58.653 61.300 0.051 0.000 1.188 1053 I CB 2.099 40.044 38.000 -0.091 0.000 1.342 1053 I HN 0.063 nan 8.210 nan 0.000 0.457 1054 P HA 0.073 nan 4.420 nan 0.000 0.276 1054 P C -0.142 177.035 177.300 -0.206 0.000 1.243 1054 P CA -0.028 62.868 63.100 -0.339 0.000 0.768 1054 P CB 0.264 31.797 31.700 -0.279 0.000 0.856 1055 F N 1.391 121.163 119.950 -0.296 0.000 2.682 1055 F HA 0.752 5.279 4.527 0.000 0.000 0.308 1055 F C 0.238 176.061 175.800 0.039 0.000 1.093 1055 F CA -0.794 57.110 58.000 -0.160 0.000 1.244 1055 F CB -0.049 38.783 39.000 -0.279 0.000 1.052 1055 F HN 0.366 nan 8.300 nan 0.000 0.573 1056 A N 0.561 123.143 122.820 -0.397 0.000 2.567 1056 A HA 0.585 4.905 4.320 -0.000 0.000 0.289 1056 A C -1.315 176.095 177.584 -0.291 0.000 1.177 1056 A CA -1.091 50.803 52.037 -0.237 0.000 0.694 1056 A CB 1.004 19.836 19.000 -0.280 0.000 1.292 1056 A HN 0.156 nan 8.150 nan 0.000 0.425 1057 K N 1.009 121.298 120.400 -0.183 0.000 2.172 1057 K HA 0.496 4.816 4.320 -0.000 0.000 0.276 1057 K C -2.424 174.056 176.600 -0.201 0.000 1.013 1057 K CA -2.065 54.123 56.287 -0.166 0.000 0.913 1057 K CB 0.722 33.166 32.500 -0.094 0.000 1.055 1057 K HN 0.427 nan 8.250 nan 0.000 0.461 1058 P HA -0.005 nan 4.420 nan 0.000 0.255 1058 P C -2.506 174.703 177.300 -0.151 0.000 1.173 1058 P CA -1.041 61.947 63.100 -0.187 0.000 0.780 1058 P CB -0.042 31.578 31.700 -0.134 0.000 0.758 1059 P HA 0.076 nan 4.420 nan 0.000 0.232 1059 P C -0.418 176.790 177.300 -0.153 0.000 1.738 1059 P CA 0.336 63.344 63.100 -0.153 0.000 0.948 1059 P CB -0.304 31.305 31.700 -0.152 0.000 1.943 1060 L N -0.775 120.371 121.223 -0.128 0.000 2.358 1060 L HA 0.662 5.002 4.340 -0.000 0.000 0.268 1060 L C 1.664 178.470 176.870 -0.107 0.000 1.032 1060 L CA -0.405 54.368 54.840 -0.112 0.000 0.805 1060 L CB 0.366 42.372 42.059 -0.088 0.000 1.253 1060 L HN 0.289 nan 8.230 nan 0.000 0.452 1061 G N 1.456 110.199 108.800 -0.095 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 -1.644 173.196 174.900 -0.101 0.000 1.217 1061 G CA 0.366 45.416 45.100 -0.083 0.000 0.994 1061 G HN 0.616 nan 8.290 nan 0.000 0.549 1062 P HA 0.219 nan 4.420 nan 0.000 0.241 1062 P C 1.714 178.960 177.300 -0.091 0.000 1.191 1062 P CA 0.669 63.732 63.100 -0.061 0.000 0.771 1062 P CB -0.037 31.648 31.700 -0.025 0.000 0.929 1063 L N -1.251 119.899 121.223 -0.122 0.000 2.558 1063 L HA 0.151 4.491 4.340 -0.000 0.000 0.225 1063 L C 1.568 178.293 176.870 -0.242 0.000 1.128 1063 L CA -0.223 54.530 54.840 -0.145 0.000 0.868 1063 L CB -0.188 41.799 42.059 -0.119 0.000 1.006 1063 L HN -0.056 nan 8.230 nan 0.000 0.454 1064 R N 0.537 120.850 120.500 -0.311 0.000 2.491 1064 R HA 0.004 4.344 4.340 -0.000 0.000 0.283 1064 R C -0.199 175.699 176.300 -0.670 0.000 1.072 1064 R CA -0.145 55.612 56.100 -0.571 0.000 1.048 1064 R CB 0.280 30.162 30.300 -0.697 0.000 0.983 1064 R HN 0.054 nan 8.270 nan 0.000 0.450 1065 F N 0.021 119.607 119.950 -0.606 0.000 3.043 1065 F HA -0.268 4.259 4.527 -0.000 0.000 0.290 1065 F C 0.074 174.850 175.800 -1.707 0.000 0.844 1065 F CA 1.366 58.618 58.000 -1.247 0.000 1.184 1065 F CB -2.619 36.066 39.000 -0.524 0.000 1.246 1065 F HN 0.665 nan 8.300 nan 0.000 0.536 1066 T N -3.540 110.371 114.554 -1.072 0.000 2.883 1066 T HA 0.798 5.148 4.350 -0.000 0.000 0.296 1066 T C -2.865 171.714 174.700 -0.201 0.000 1.117 1066 T CA -2.338 59.390 62.100 -0.619 0.000 1.006 1066 T CB 3.435 72.157 68.868 -0.243 0.000 1.191 1066 T HN -0.259 nan 8.240 nan 0.000 0.508 1067 P HA 0.285 nan 4.420 nan 0.000 0.269 1067 P C -2.485 174.880 177.300 0.109 0.000 1.217 1067 P CA -0.926 62.310 63.100 0.225 0.000 0.783 1067 P CB -0.614 31.217 31.700 0.219 0.000 0.898 1068 P HA 0.124 nan 4.420 nan 0.000 0.275 1068 P C -0.673 176.673 177.300 0.077 0.000 1.228 1068 P CA 0.115 63.268 63.100 0.088 0.000 0.786 1068 P CB 0.582 32.373 31.700 0.151 0.000 0.927 1069 Q N 2.388 122.208 119.800 0.033 0.000 2.257 1069 Q HA 0.455 4.795 4.340 -0.000 0.000 0.262 1069 Q C -2.204 173.824 176.000 0.046 0.000 0.997 1069 Q CA -2.023 53.800 55.803 0.034 0.000 0.873 1069 Q CB 0.628 29.366 28.738 -0.001 0.000 1.312 1069 Q HN 0.355 nan 8.270 nan 0.000 0.450 1070 P HA 0.024 nan 4.420 nan 0.000 0.271 1070 P C -1.083 176.219 177.300 0.002 0.000 1.233 1070 P CA 0.127 63.289 63.100 0.104 0.000 0.789 1070 P CB 0.429 32.208 31.700 0.131 0.000 0.951 1071 A N 1.734 124.507 122.820 -0.078 0.000 2.309 1071 A HA 0.247 4.567 4.320 -0.000 0.000 0.298 1071 A C 0.253 177.636 177.584 -0.336 0.000 1.165 1071 A CA -0.422 51.492 52.037 -0.205 0.000 0.821 1071 A CB -0.000 18.917 19.000 -0.137 0.000 1.102 1071 A HN 0.402 nan 8.150 nan 0.000 0.500 1072 E N 2.812 122.938 120.200 -0.123 0.000 2.414 1072 E HA 0.178 4.528 4.350 -0.000 0.000 0.263 1072 E C -2.155 174.434 176.600 -0.019 0.000 1.000 1072 E CA -1.345 55.018 56.400 -0.061 0.000 0.914 1072 E CB 0.155 29.859 29.700 0.007 0.000 0.948 1072 E HN 0.446 nan 8.360 nan 0.000 0.444 1073 P HA 0.121 nan 4.420 nan 0.000 0.276 1073 P C -0.750 176.556 177.300 0.010 0.000 1.230 1073 P CA -0.360 62.665 63.100 -0.125 0.000 0.776 1073 P CB 0.209 31.847 31.700 -0.104 0.000 0.888 1074 W N 1.586 122.908 121.300 0.037 0.000 2.578 1074 W HA 0.657 5.317 4.660 -0.000 0.000 0.346 1074 W C -0.809 175.706 176.519 -0.006 0.000 1.075 1074 W CA -0.845 56.506 57.345 0.010 0.000 1.233 1074 W CB 0.183 29.667 29.460 0.039 0.000 1.358 1074 W HN 0.179 nan 8.180 nan 0.000 0.574 1075 S N 2.676 118.436 115.700 0.099 0.000 2.578 1075 S HA 0.692 5.162 4.470 -0.000 0.000 0.283 1075 S C -0.358 174.281 174.600 0.065 0.000 1.195 1075 S CA -0.323 57.816 58.200 -0.101 0.000 1.050 1075 S CB 0.834 63.792 63.200 -0.402 0.000 1.012 1075 S HN 0.561 nan 8.310 nan 0.000 0.511 1076 F N -0.517 119.513 119.950 0.133 0.000 2.183 1076 F HA -0.216 4.311 4.527 -0.000 0.000 0.318 1076 F C -0.356 175.562 175.800 0.196 0.000 0.543 1076 F CA -0.188 57.893 58.000 0.136 0.000 0.912 1076 F CB -1.607 37.465 39.000 0.121 0.000 4.135 1076 F HN 0.422 nan 8.300 nan 0.000 0.137 1077 V N 0.964 121.143 119.914 0.443 0.000 2.531 1077 V HA 0.414 4.534 4.120 -0.000 0.000 0.301 1077 V C -0.124 176.133 176.094 0.271 0.000 1.034 1077 V CA -1.132 61.365 62.300 0.329 0.000 0.865 1077 V CB 1.718 33.656 31.823 0.192 0.000 0.995 1077 V HN 0.548 nan 8.190 nan 0.000 0.424 1078 K N 3.291 123.846 120.400 0.260 0.000 2.276 1078 K HA 0.317 4.637 4.320 -0.000 0.000 0.283 1078 K C 0.036 176.638 176.600 0.004 0.000 1.044 1078 K CA -0.155 56.115 56.287 -0.028 0.000 0.944 1078 K CB 0.423 32.666 32.500 -0.427 0.000 1.012 1078 K HN 0.732 nan 8.250 nan 0.000 0.472 1079 N N 2.624 121.295 118.700 -0.048 0.000 3.083 1079 N HA 0.154 4.894 4.740 -0.000 0.000 0.260 1079 N C -1.201 174.258 175.510 -0.084 0.000 1.163 1079 N CA -0.359 52.665 53.050 -0.043 0.000 1.060 1079 N CB 1.206 39.666 38.487 -0.043 0.000 1.345 1079 N HN 0.457 nan 8.380 nan 0.000 0.515 1080 A N 1.303 124.088 122.820 -0.057 0.000 2.880 1080 A HA 0.235 4.555 4.320 -0.000 0.000 0.328 1080 A C 0.978 178.493 177.584 -0.116 0.000 1.440 1080 A CA -0.503 51.481 52.037 -0.088 0.000 1.068 1080 A CB -0.462 18.520 19.000 -0.030 0.000 1.163 1080 A HN 0.512 nan 8.150 nan 0.000 0.510 1081 T N -2.377 112.075 114.554 -0.169 0.000 3.111 1081 T HA 0.309 4.659 4.350 -0.000 0.000 0.284 1081 T C 0.427 174.952 174.700 -0.292 0.000 0.983 1081 T CA 0.436 62.402 62.100 -0.224 0.000 0.900 1081 T CB -0.406 68.356 68.868 -0.178 0.000 1.132 1081 T HN 0.838 nan 8.240 nan 0.000 0.531 1082 S N 0.649 116.176 115.700 -0.288 0.000 2.526 1082 S HA 0.673 5.143 4.470 -0.000 0.000 0.293 1082 S C -0.877 173.527 174.600 -0.326 0.000 1.092 1082 S CA -0.899 57.114 58.200 -0.311 0.000 0.980 1082 S CB 0.745 63.838 63.200 -0.178 0.000 1.048 1082 S HN 0.187 nan 8.310 nan 0.000 0.483 1083 Y N 2.849 123.083 120.300 -0.111 0.000 2.810 1083 Y HA 0.227 4.777 4.550 -0.000 0.000 0.332 1083 Y C -1.613 174.180 175.900 -0.179 0.000 1.243 1083 Y CA -0.763 57.268 58.100 -0.116 0.000 1.537 1083 Y CB -0.327 38.087 38.460 -0.077 0.000 1.265 1083 Y HN 0.556 nan 8.280 nan 0.000 0.572 1084 P HA 0.283 nan 4.420 nan 0.000 0.276 1084 P C -2.646 174.580 177.300 -0.123 0.000 1.252 1084 P CA -1.680 61.255 63.100 -0.275 0.000 0.802 1084 P CB 0.626 32.081 31.700 -0.408 0.000 1.035 1085 P HA 0.344 nan 4.420 nan 0.000 0.279 1085 P C -0.613 176.649 177.300 -0.063 0.000 1.282 1085 P CA -0.268 62.780 63.100 -0.086 0.000 0.788 1085 P CB 0.315 31.961 31.700 -0.089 0.000 1.139 1086 M N -0.861 118.687 119.600 -0.087 0.000 2.227 1086 M HA 0.388 4.868 4.480 -0.000 0.000 0.335 1086 M C -0.668 175.554 176.300 -0.130 0.000 1.053 1086 M CA -0.747 54.493 55.300 -0.100 0.000 0.973 1086 M CB 0.736 33.266 32.600 -0.116 0.000 1.623 1086 M HN 0.118 nan 8.290 nan 0.000 0.434 1087 c N 2.026 120.549 118.600 -0.128 0.000 2.275 1087 c HA -0.053 4.517 4.570 -0.000 0.000 0.391 1087 c C 1.589 175.515 174.090 -0.274 0.000 1.503 1087 c CA 0.406 56.625 56.329 -0.184 0.000 1.502 1087 c CB -0.785 41.642 42.510 -0.139 0.000 2.529 1087 c HN 0.880 nan 8.230 nan 0.000 0.588 1088 T N 4.476 118.731 114.554 -0.498 0.000 2.849 1088 T HA 0.226 4.576 4.350 -0.000 0.000 0.289 1088 T C -0.041 174.445 174.700 -0.357 0.000 1.010 1088 T CA 0.856 62.581 62.100 -0.626 0.000 1.161 1088 T CB -0.072 67.946 68.868 -1.418 0.000 0.989 1088 T HN 0.917 nan 8.240 nan 0.000 0.523 1089 Q N 2.997 122.720 119.800 -0.127 0.000 2.782 1089 Q HA 0.337 4.677 4.340 -0.000 0.000 0.308 1089 Q C -1.545 174.491 176.000 0.059 0.000 0.883 1089 Q CA -1.185 54.651 55.803 0.054 0.000 0.755 1089 Q CB 0.487 29.246 28.738 0.035 0.000 1.454 1089 Q HN 0.425 nan 8.270 nan 0.000 0.452 1090 D N 1.608 122.066 120.400 0.096 0.000 2.412 1090 D HA 0.069 4.709 4.640 -0.000 0.000 0.257 1090 D C -1.440 174.874 176.300 0.023 0.000 1.217 1090 D CA -1.436 52.606 54.000 0.071 0.000 0.897 1090 D CB 1.317 42.164 40.800 0.079 0.000 1.132 1090 D HN 0.326 nan 8.370 nan 0.000 0.493 1091 P HA -0.114 nan 4.420 nan 0.000 0.218 1091 P C 0.919 178.207 177.300 -0.019 0.000 1.149 1091 P CA 1.244 64.335 63.100 -0.016 0.000 0.817 1091 P CB 0.409 32.099 31.700 -0.017 0.000 0.785 1092 K N 0.015 120.409 120.400 -0.009 0.000 2.005 1092 K HA 0.068 4.388 4.320 -0.000 0.000 0.206 1092 K C 2.399 178.985 176.600 -0.023 0.000 1.044 1092 K CA 1.282 57.559 56.287 -0.016 0.000 0.942 1092 K CB -0.845 31.650 32.500 -0.009 0.000 0.727 1092 K HN -0.022 nan 8.250 nan 0.000 0.439 1093 A N 1.424 124.236 122.820 -0.013 0.000 1.940 1093 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 1093 A C 2.371 179.933 177.584 -0.037 0.000 1.176 1093 A CA 2.087 54.111 52.037 -0.021 0.000 0.631 1093 A CB -1.255 17.749 19.000 0.006 0.000 0.814 1093 A HN 0.464 nan 8.150 nan 0.000 0.446 1094 G N -1.217 107.566 108.800 -0.029 0.000 2.404 1094 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.215 1094 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.215 1094 G C 1.604 176.460 174.900 -0.074 0.000 1.174 1094 G CA 0.981 46.052 45.100 -0.047 0.000 0.780 1094 G HN 0.613 nan 8.290 nan 0.000 0.537 1095 Q N -0.622 119.138 119.800 -0.067 0.000 2.224 1095 Q HA 0.000 4.340 4.340 -0.000 0.000 0.203 1095 Q C 2.329 178.282 176.000 -0.078 0.000 0.970 1095 Q CA 0.700 56.459 55.803 -0.074 0.000 0.865 1095 Q CB -0.122 28.581 28.738 -0.058 0.000 0.922 1095 Q HN 0.408 nan 8.270 nan 0.000 0.445 1096 L N 0.156 121.333 121.223 -0.076 0.000 2.044 1096 L HA -0.089 4.251 4.340 -0.000 0.000 0.205 1096 L C 2.006 178.796 176.870 -0.132 0.000 1.075 1096 L CA 1.337 56.127 54.840 -0.084 0.000 0.747 1096 L CB -0.719 41.294 42.059 -0.078 0.000 0.903 1096 L HN 0.339 nan 8.230 nan 0.000 0.435 1097 L N -0.989 120.134 121.223 -0.166 0.000 2.046 1097 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 1097 L C 2.688 179.397 176.870 -0.269 0.000 1.077 1097 L CA 2.071 56.741 54.840 -0.284 0.000 0.747 1097 L CB -0.935 40.987 42.059 -0.228 0.000 0.896 1097 L HN 0.452 nan 8.230 nan 0.000 0.432 1098 S N -0.806 114.789 115.700 -0.174 0.000 2.368 1098 S HA -0.222 4.248 4.470 -0.000 0.000 0.225 1098 S C 1.869 176.379 174.600 -0.149 0.000 1.030 1098 S CA 1.627 59.722 58.200 -0.174 0.000 0.999 1098 S CB -0.297 62.808 63.200 -0.159 0.000 0.844 1098 S HN 0.649 nan 8.310 nan 0.000 0.459 1099 E N 0.187 120.322 120.200 -0.109 0.000 2.204 1099 E HA -0.019 4.331 4.350 -0.000 0.000 0.194 1099 E C 1.906 178.507 176.600 0.001 0.000 0.989 1099 E CA 0.969 57.337 56.400 -0.054 0.000 0.824 1099 E CB -0.109 29.569 29.700 -0.035 0.000 0.756 1099 E HN 0.504 nan 8.360 nan 0.000 0.477 1100 L N -0.568 120.633 121.223 -0.036 0.000 2.375 1100 L HA 0.017 4.357 4.340 -0.000 0.000 0.215 1100 L C 1.577 178.618 176.870 0.284 0.000 1.108 1100 L CA 0.216 55.099 54.840 0.072 0.000 0.830 1100 L CB 0.132 42.154 42.059 -0.062 0.000 0.959 1100 L HN 0.100 nan 8.230 nan 0.000 0.457 1101 F N -0.780 119.138 119.950 -0.053 0.000 2.559 1101 F HA 0.136 4.663 4.527 0.000 0.000 0.286 1101 F C 1.701 177.203 175.800 -0.497 0.000 1.108 1101 F CA -0.450 57.389 58.000 -0.268 0.000 1.436 1101 F CB -0.671 38.158 39.000 -0.284 0.000 1.130 1101 F HN -0.197 nan 8.300 nan 0.000 0.584 1102 T N 2.636 117.061 114.554 -0.216 0.000 2.923 1102 T HA -0.118 4.232 4.350 -0.000 0.000 0.309 1102 T C 1.092 175.643 174.700 -0.248 0.000 1.059 1102 T CA 0.354 62.258 62.100 -0.326 0.000 1.133 1102 T CB 0.111 68.847 68.868 -0.220 0.000 1.053 1102 T HN 0.399 nan 8.240 nan 0.000 0.530 1103 N N 4.000 122.510 118.700 -0.317 0.000 2.238 1103 N HA 0.084 4.824 4.740 -0.000 0.000 0.222 1103 N C 0.095 175.494 175.510 -0.185 0.000 1.133 1103 N CA -0.341 52.565 53.050 -0.241 0.000 0.854 1103 N CB 0.227 38.564 38.487 -0.251 0.000 1.041 1103 N HN 0.510 nan 8.380 nan 0.000 0.510 1104 R N 0.439 120.848 120.500 -0.153 0.000 2.573 1104 R HA 0.260 4.600 4.340 -0.000 0.000 0.272 1104 R C 1.194 177.459 176.300 -0.058 0.000 1.009 1104 R CA -0.691 55.353 56.100 -0.093 0.000 1.059 1104 R CB 1.781 32.027 30.300 -0.089 0.000 1.112 1104 R HN 0.009 nan 8.270 nan 0.000 0.517 1105 K N 1.426 121.817 120.400 -0.016 0.000 1.973 1105 K HA -0.123 4.197 4.320 -0.000 0.000 0.212 1105 K C -0.228 176.383 176.600 0.018 0.000 1.047 1105 K CA 1.498 57.799 56.287 0.024 0.000 0.937 1105 K CB 0.177 32.702 32.500 0.042 0.000 0.721 1105 K HN 0.494 nan 8.250 nan 0.000 0.440 1106 E N 1.345 121.548 120.200 0.004 0.000 2.216 1106 E HA 0.080 4.430 4.350 -0.000 0.000 0.279 1106 E C -0.927 175.650 176.600 -0.039 0.000 0.997 1106 E CA -0.747 55.649 56.400 -0.006 0.000 0.817 1106 E CB 1.312 31.012 29.700 0.000 0.000 1.096 1106 E HN 0.170 nan 8.360 nan 0.000 0.393 1107 N N 2.196 120.868 118.700 -0.046 0.000 2.503 1107 N HA 0.172 4.912 4.740 -0.000 0.000 0.267 1107 N C -1.067 174.384 175.510 -0.099 0.000 1.214 1107 N CA -0.035 52.964 53.050 -0.085 0.000 0.959 1107 N CB 0.581 39.024 38.487 -0.074 0.000 1.142 1107 N HN 0.390 nan 8.380 nan 0.000 0.455 1108 I N 3.111 123.587 120.570 -0.157 0.000 2.354 1108 I HA 0.302 4.472 4.170 -0.000 0.000 0.292 1108 I C -1.932 174.094 176.117 -0.150 0.000 0.989 1108 I CA -2.077 59.119 61.300 -0.173 0.000 1.188 1108 I CB 1.699 39.502 38.000 -0.329 0.000 1.342 1108 I HN 0.489 nan 8.210 nan 0.000 0.457 1109 P HA 0.309 nan 4.420 nan 0.000 0.282 1109 P C -0.940 176.312 177.300 -0.080 0.000 1.274 1109 P CA -0.081 62.972 63.100 -0.079 0.000 0.770 1109 P CB 0.643 32.312 31.700 -0.051 0.000 0.867 1110 L N 2.841 124.011 121.223 -0.089 0.000 2.332 1110 L HA 0.520 4.860 4.340 -0.000 0.000 0.269 1110 L C 0.913 177.741 176.870 -0.071 0.000 1.016 1110 L CA -1.098 53.693 54.840 -0.082 0.000 0.809 1110 L CB 1.298 43.296 42.059 -0.102 0.000 1.280 1110 L HN 0.241 nan 8.230 nan 0.000 0.447 1111 K N 1.268 121.627 120.400 -0.069 0.000 2.095 1111 K HA 0.609 4.929 4.320 -0.000 0.000 0.252 1111 K C -1.111 175.437 176.600 -0.086 0.000 0.977 1111 K CA -0.671 55.574 56.287 -0.070 0.000 0.900 1111 K CB 1.642 34.102 32.500 -0.068 0.000 1.060 1111 K HN 0.363 nan 8.250 nan 0.000 0.449 1112 L N 1.320 122.487 121.223 -0.092 0.000 2.295 1112 L HA 0.437 4.777 4.340 -0.000 0.000 0.285 1112 L C -0.163 176.622 176.870 -0.142 0.000 1.035 1112 L CA -0.351 54.415 54.840 -0.124 0.000 0.806 1112 L CB 1.691 43.678 42.059 -0.121 0.000 1.214 1112 L HN 0.658 nan 8.230 nan 0.000 0.426 1113 S N 1.079 116.668 115.700 -0.185 0.000 2.578 1113 S HA 0.205 4.675 4.470 -0.000 0.000 0.272 1113 S C 0.081 174.523 174.600 -0.263 0.000 1.145 1113 S CA -0.587 57.498 58.200 -0.191 0.000 0.835 1113 S CB 1.584 64.713 63.200 -0.119 0.000 1.104 1113 S HN 0.747 nan 8.310 nan 0.000 0.458 1114 E N 0.696 120.733 120.200 -0.272 0.000 2.285 1114 E HA -0.021 4.329 4.350 -0.000 0.000 0.194 1114 E C -0.358 176.125 176.600 -0.195 0.000 0.997 1114 E CA 0.376 56.588 56.400 -0.313 0.000 0.845 1114 E CB 0.104 29.653 29.700 -0.253 0.000 0.782 1114 E HN 0.514 nan 8.360 nan 0.000 0.491 1115 D N 0.537 120.861 120.400 -0.128 0.000 2.470 1115 D HA -0.002 4.638 4.640 -0.000 0.000 0.226 1115 D C 0.009 176.331 176.300 0.037 0.000 1.196 1115 D CA -0.300 53.662 54.000 -0.064 0.000 0.979 1115 D CB -0.007 40.783 40.800 -0.016 0.000 1.059 1115 D HN 0.154 nan 8.370 nan 0.000 0.515 1116 c N 2.325 120.900 118.600 -0.042 0.000 3.865 1116 c HA 0.356 4.926 4.570 -0.000 0.000 0.297 1116 c C 0.769 174.826 174.090 -0.055 0.000 1.758 1116 c CA -0.671 55.701 56.329 0.072 0.000 1.778 1116 c CB -1.303 41.191 42.510 -0.027 0.000 3.158 1116 c HN 0.440 nan 8.230 nan 0.000 0.598 1117 L N 2.467 123.414 121.223 -0.459 0.000 2.382 1117 L HA 0.335 4.675 4.340 -0.000 0.000 0.259 1117 L C -0.706 175.442 176.870 -1.204 0.000 1.291 1117 L CA 0.651 55.019 54.840 -0.786 0.000 1.176 1117 L CB -0.851 40.623 42.059 -0.974 0.000 1.373 1117 L HN 0.416 nan 8.230 nan 0.000 0.426 1118 Y N 1.646 121.827 120.300 -0.197 0.000 2.633 1118 Y HA 0.712 5.262 4.550 -0.000 0.000 0.339 1118 Y C -0.080 175.949 175.900 0.215 0.000 1.045 1118 Y CA -1.243 56.829 58.100 -0.046 0.000 1.098 1118 Y CB 1.900 40.314 38.460 -0.077 0.000 1.296 1118 Y HN 0.150 nan 8.280 nan 0.000 0.494 1119 L N -0.353 121.031 121.223 0.267 0.000 2.424 1119 L HA 0.746 5.086 4.340 -0.000 0.000 0.258 1119 L C -1.544 175.364 176.870 0.062 0.000 0.995 1119 L CA -1.075 53.846 54.840 0.136 0.000 0.821 1119 L CB 1.870 43.907 42.059 -0.037 0.000 1.383 1119 L HN 0.397 nan 8.230 nan 0.000 0.410 1120 N N 1.879 120.640 118.700 0.103 0.000 2.361 1120 N HA 0.723 5.463 4.740 -0.000 0.000 0.302 1120 N C -1.199 174.336 175.510 0.042 0.000 1.074 1120 N CA -0.218 52.872 53.050 0.067 0.000 0.850 1120 N CB 2.552 41.156 38.487 0.194 0.000 1.228 1120 N HN 0.686 nan 8.380 nan 0.000 0.491 1121 I N 1.824 122.337 120.570 -0.096 0.000 2.465 1121 I HA 0.328 4.498 4.170 -0.000 0.000 0.291 1121 I C -1.094 174.931 176.117 -0.153 0.000 1.014 1121 I CA -0.773 60.508 61.300 -0.031 0.000 1.093 1121 I CB 1.210 39.128 38.000 -0.137 0.000 1.267 1121 I HN 0.325 nan 8.210 nan 0.000 0.431 1122 Y N 3.352 123.766 120.300 0.191 0.000 2.376 1122 Y HA 0.396 4.946 4.550 -0.000 0.000 0.326 1122 Y C 0.265 176.286 175.900 0.202 0.000 0.970 1122 Y CA -0.701 57.509 58.100 0.184 0.000 1.248 1122 Y CB 1.996 40.544 38.460 0.148 0.000 1.117 1122 Y HN 0.367 nan 8.280 nan 0.000 0.476 1123 T N 4.986 119.742 114.554 0.336 0.000 2.809 1123 T HA 0.343 4.693 4.350 -0.000 0.000 0.284 1123 T C -2.192 172.664 174.700 0.259 0.000 0.992 1123 T CA -2.371 59.915 62.100 0.310 0.000 0.957 1123 T CB 1.286 70.383 68.868 0.382 0.000 0.942 1123 T HN 0.311 nan 8.240 nan 0.000 0.439 1124 P HA 0.263 nan 4.420 nan 0.000 0.240 1124 P C 0.370 177.766 177.300 0.161 0.000 1.190 1124 P CA -0.055 63.136 63.100 0.153 0.000 0.781 1124 P CB -0.016 31.742 31.700 0.098 0.000 0.931 1125 A N 1.711 124.638 122.820 0.180 0.000 2.448 1125 A HA 0.207 4.527 4.320 -0.000 0.000 0.239 1125 A C 0.188 177.877 177.584 0.175 0.000 1.080 1125 A CA 0.005 52.139 52.037 0.161 0.000 0.779 1125 A CB -0.327 18.771 19.000 0.163 0.000 1.026 1125 A HN 0.168 nan 8.150 nan 0.000 0.499 1126 D N 2.010 122.493 120.400 0.137 0.000 2.479 1126 D HA 0.260 4.900 4.640 -0.000 0.000 0.218 1126 D C 0.653 177.031 176.300 0.129 0.000 1.131 1126 D CA -0.465 53.616 54.000 0.134 0.000 0.916 1126 D CB 0.061 40.912 40.800 0.086 0.000 1.022 1126 D HN 0.399 nan 8.370 nan 0.000 0.515 1127 L N 1.488 122.812 121.223 0.168 0.000 2.357 1127 L HA -0.201 4.139 4.340 -0.000 0.000 0.220 1127 L C 2.058 178.979 176.870 0.085 0.000 1.123 1127 L CA 1.626 56.541 54.840 0.124 0.000 0.782 1127 L CB -0.957 41.192 42.059 0.150 0.000 0.910 1127 L HN 0.468 nan 8.230 nan 0.000 0.442 1128 T N -3.284 111.325 114.554 0.092 0.000 3.380 1128 T HA 0.184 4.534 4.350 -0.000 0.000 0.250 1128 T C 0.366 175.093 174.700 0.044 0.000 1.082 1128 T CA -0.058 62.080 62.100 0.063 0.000 0.968 1128 T CB -0.129 68.776 68.868 0.062 0.000 1.027 1128 T HN 0.299 nan 8.240 nan 0.000 0.575 1129 K N -0.197 120.229 120.400 0.044 0.000 2.615 1129 K HA 0.368 4.688 4.320 -0.000 0.000 0.291 1129 K C -1.266 175.353 176.600 0.032 0.000 1.017 1129 K CA -1.064 55.243 56.287 0.033 0.000 0.882 1129 K CB 1.874 34.395 32.500 0.035 0.000 1.522 1129 K HN 0.026 nan 8.250 nan 0.000 0.412 1130 K N 1.495 121.909 120.400 0.024 0.000 2.295 1130 K HA 0.174 4.494 4.320 -0.000 0.000 0.270 1130 K C -0.811 175.810 176.600 0.035 0.000 1.011 1130 K CA 0.064 56.364 56.287 0.023 0.000 0.953 1130 K CB 0.450 32.959 32.500 0.014 0.000 0.956 1130 K HN 0.466 nan 8.250 nan 0.000 0.477 1131 N N 2.441 121.166 118.700 0.041 0.000 2.452 1131 N HA 0.205 4.945 4.740 -0.000 0.000 0.277 1131 N C -1.482 174.062 175.510 0.056 0.000 1.078 1131 N CA -0.633 52.450 53.050 0.054 0.000 0.947 1131 N CB 1.618 40.151 38.487 0.076 0.000 1.655 1131 N HN 0.476 nan 8.380 nan 0.000 0.490 1132 R N 2.178 122.708 120.500 0.051 0.000 2.989 1132 R HA 0.365 4.705 4.340 -0.000 0.000 0.340 1132 R C -0.148 176.186 176.300 0.057 0.000 1.205 1132 R CA -0.353 55.776 56.100 0.049 0.000 1.235 1132 R CB 0.097 30.414 30.300 0.028 0.000 1.394 1132 R HN 0.488 nan 8.270 nan 0.000 0.598 1133 L N 2.199 123.468 121.223 0.078 0.000 2.461 1133 L HA 0.207 4.547 4.340 -0.000 0.000 0.272 1133 L C -1.719 175.205 176.870 0.090 0.000 1.197 1133 L CA -1.476 53.415 54.840 0.084 0.000 0.836 1133 L CB 0.073 42.195 42.059 0.105 0.000 1.105 1133 L HN -0.170 nan 8.230 nan 0.000 0.477 1134 P HA 0.070 nan 4.420 nan 0.000 0.270 1134 P C -0.842 176.536 177.300 0.130 0.000 1.223 1134 P CA -0.082 63.073 63.100 0.091 0.000 0.785 1134 P CB 0.770 32.516 31.700 0.077 0.000 0.923 1135 V N 3.154 123.159 119.914 0.152 0.000 2.495 1135 V HA 0.436 4.556 4.120 -0.000 0.000 0.298 1135 V C 0.249 176.491 176.094 0.246 0.000 1.031 1135 V CA -0.345 62.069 62.300 0.190 0.000 0.871 1135 V CB 1.466 33.393 31.823 0.175 0.000 0.988 1135 V HN 0.408 nan 8.190 nan 0.000 0.432 1136 M N 4.555 124.344 119.600 0.315 0.000 2.046 1136 M HA 0.459 4.939 4.480 -0.000 0.000 0.309 1136 M C -1.123 175.411 176.300 0.389 0.000 0.935 1136 M CA -0.534 55.088 55.300 0.536 0.000 0.915 1136 M CB 1.859 34.883 32.600 0.706 0.000 1.474 1136 M HN 0.382 nan 8.290 nan 0.000 0.415 1137 V N 3.540 123.525 119.914 0.119 0.000 2.406 1137 V HA 0.269 4.389 4.120 -0.000 0.000 0.272 1137 V C -0.493 175.293 176.094 -0.513 0.000 1.043 1137 V CA -0.474 61.774 62.300 -0.085 0.000 0.915 1137 V CB 1.001 32.788 31.823 -0.059 0.000 0.988 1137 V HN 0.826 nan 8.190 nan 0.000 0.466 1138 W N 6.988 127.924 121.300 -0.607 0.000 2.390 1138 W HA 0.612 5.272 4.660 -0.000 0.000 0.312 1138 W C -1.198 175.104 176.519 -0.361 0.000 1.123 1138 W CA -0.908 55.994 57.345 -0.738 0.000 1.202 1138 W CB 1.330 30.621 29.460 -0.282 0.000 1.251 1138 W HN 0.433 nan 8.180 nan 0.000 0.511 1139 I N 7.940 127.825 120.570 -1.141 0.000 2.405 1139 I HA 0.046 4.216 4.170 -0.000 0.000 0.280 1139 I C 1.069 176.527 176.117 -1.099 0.000 1.027 1139 I CA -0.789 60.019 61.300 -0.820 0.000 1.161 1139 I CB 0.631 38.260 38.000 -0.618 0.000 1.300 1139 I HN 0.409 nan 8.210 nan 0.000 0.463 1140 H N 4.633 123.300 119.070 -0.671 0.000 2.871 1140 H HA 0.295 4.851 4.556 -0.000 0.000 0.377 1140 H C -0.091 175.200 175.328 -0.062 0.000 1.307 1140 H CA -0.142 55.684 56.048 -0.370 0.000 1.449 1140 H CB 0.808 30.638 29.762 0.113 0.000 1.452 1140 H HN 0.586 nan 8.280 nan 0.000 0.619 1141 G N -2.204 106.755 108.800 0.267 0.000 2.820 1141 G HA2 0.498 4.458 3.960 -0.000 0.000 0.291 1141 G HA3 0.498 4.458 3.960 -0.000 0.000 0.291 1141 G C 0.198 175.364 174.900 0.444 0.000 1.323 1141 G CA -0.753 44.505 45.100 0.264 0.000 1.055 1141 G HN 1.115 nan 8.290 nan 0.000 0.520 1142 G N -2.565 106.427 108.800 0.321 0.000 3.034 1142 G HA2 0.433 4.393 3.960 -0.000 0.000 0.222 1142 G HA3 0.433 4.393 3.960 -0.000 0.000 0.222 1142 G C 0.968 175.967 174.900 0.166 0.000 0.980 1142 G CA 0.874 46.132 45.100 0.263 0.000 1.008 1142 G HN 2.306 nan 8.290 nan 0.000 0.632 1143 G N 0.264 109.144 108.800 0.134 0.000 2.187 1143 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.261 1143 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.261 1143 G C 1.047 175.928 174.900 -0.032 0.000 1.000 1143 G CA 0.543 45.670 45.100 0.045 0.000 0.718 1143 G HN 1.694 nan 8.290 nan 0.000 0.519 1144 L N -3.150 118.081 121.223 0.013 0.000 4.040 1144 L HA -0.255 4.085 4.340 -0.000 0.000 0.410 1144 L C 1.778 178.679 176.870 0.053 0.000 1.187 1144 L CA 1.445 56.266 54.840 -0.033 0.000 0.956 1144 L CB -1.409 40.340 42.059 -0.517 0.000 2.022 1144 L HN 0.468 nan 8.230 nan 0.000 0.897 1145 M N -1.886 117.777 119.600 0.105 0.000 2.195 1145 M HA 0.294 4.774 4.480 -0.000 0.000 0.243 1145 M C 0.685 177.077 176.300 0.153 0.000 1.313 1145 M CA 1.034 56.414 55.300 0.133 0.000 1.077 1145 M CB 0.737 33.392 32.600 0.091 0.000 1.664 1145 M HN 0.173 nan 8.290 nan 0.000 0.584 1146 V N -1.989 118.010 119.914 0.141 0.000 3.156 1146 V HA 1.066 5.186 4.120 -0.000 0.000 0.311 1146 V C -0.099 176.081 176.094 0.143 0.000 1.208 1146 V CA -0.233 62.131 62.300 0.107 0.000 1.063 1146 V CB 1.152 33.016 31.823 0.068 0.000 1.098 1146 V HN 0.555 nan 8.190 nan 0.000 0.452 1147 G N -0.953 107.860 108.800 0.022 0.000 2.440 1147 G HA2 0.592 4.552 3.960 -0.000 0.000 0.684 1147 G HA3 0.592 4.552 3.960 -0.000 0.000 0.684 1147 G C -0.641 173.946 174.900 -0.522 0.000 1.309 1147 G CA -0.191 44.824 45.100 -0.140 0.000 0.931 1147 G HN 2.705 nan 8.290 nan 0.000 0.612 1148 A N -1.180 121.168 122.820 -0.788 0.000 2.605 1148 A HA 1.013 5.333 4.320 -0.000 0.000 0.294 1148 A C 0.726 178.161 177.584 -0.249 0.000 1.062 1148 A CA 0.793 52.523 52.037 -0.512 0.000 0.682 1148 A CB 0.802 19.666 19.000 -0.227 0.000 1.278 1148 A HN 2.570 nan 8.150 nan 0.000 0.410 1149 A N 0.498 123.317 122.820 -0.003 0.000 1.929 1149 A HA 0.106 4.426 4.320 -0.000 0.000 0.216 1149 A C 1.943 179.669 177.584 0.237 0.000 1.176 1149 A CA 2.314 54.500 52.037 0.249 0.000 0.628 1149 A CB -0.713 18.448 19.000 0.268 0.000 0.816 1149 A HN 1.265 nan 8.150 nan 0.000 0.444 1150 S N -0.152 115.605 115.700 0.095 0.000 2.493 1150 S HA -0.106 4.364 4.470 -0.000 0.000 0.243 1150 S C 1.778 176.280 174.600 -0.163 0.000 0.991 1150 S CA 1.430 59.619 58.200 -0.020 0.000 0.957 1150 S CB -0.466 62.632 63.200 -0.170 0.000 0.756 1150 S HN 0.691 nan 8.310 nan 0.000 0.521 1151 T N 0.927 115.399 114.554 -0.137 0.000 2.737 1151 T HA -0.031 4.319 4.350 -0.000 0.000 0.265 1151 T C 0.043 174.442 174.700 -0.502 0.000 1.038 1151 T CA 0.984 62.865 62.100 -0.365 0.000 1.144 1151 T CB -0.240 68.323 68.868 -0.509 0.000 0.866 1151 T HN 0.394 nan 8.240 nan 0.000 0.434 1152 Y N 2.037 122.162 120.300 -0.291 0.000 2.404 1152 Y HA 0.434 4.984 4.550 -0.000 0.000 0.344 1152 Y C 0.139 175.765 175.900 -0.455 0.000 0.995 1152 Y CA -2.082 55.652 58.100 -0.609 0.000 1.201 1152 Y CB 0.172 37.983 38.460 -1.082 0.000 1.151 1152 Y HN -0.049 nan 8.280 nan 0.000 0.517 1153 D N 2.366 122.570 120.400 -0.327 0.000 2.317 1153 D HA 0.249 4.889 4.640 -0.000 0.000 0.234 1153 D C 0.719 176.772 176.300 -0.410 0.000 1.112 1153 D CA -0.362 53.460 54.000 -0.297 0.000 0.840 1153 D CB 1.365 42.076 40.800 -0.148 0.000 1.078 1153 D HN 0.815 nan 8.370 nan 0.000 0.486 1154 G N 3.223 111.445 108.800 -0.964 0.000 3.518 1154 G HA2 0.008 3.968 3.960 -0.000 0.000 0.273 1154 G HA3 0.008 3.968 3.960 -0.000 0.000 0.273 1154 G C 1.105 175.726 174.900 -0.465 0.000 1.199 1154 G CA -0.221 44.513 45.100 -0.609 0.000 0.899 1154 G HN 0.479 nan 8.290 nan 0.000 0.533 1155 L N 0.995 122.020 121.223 -0.330 0.000 2.027 1155 L HA 0.211 4.551 4.340 -0.000 0.000 0.206 1155 L C 2.806 179.642 176.870 -0.057 0.000 1.074 1155 L CA 2.347 57.171 54.840 -0.027 0.000 0.745 1155 L CB -0.436 41.656 42.059 0.055 0.000 0.898 1155 L HN 0.192 nan 8.230 nan 0.000 0.433 1156 A N -0.424 122.361 122.820 -0.059 0.000 1.845 1156 A HA -0.198 4.122 4.320 -0.000 0.000 0.215 1156 A C 2.247 179.814 177.584 -0.027 0.000 1.195 1156 A CA 1.927 53.951 52.037 -0.021 0.000 0.616 1156 A CB -1.234 17.718 19.000 -0.082 0.000 0.832 1156 A HN 0.480 nan 8.150 nan 0.000 0.443 1157 L N -0.080 121.068 121.223 -0.126 0.000 2.013 1157 L HA -0.137 4.203 4.340 -0.000 0.000 0.212 1157 L C 2.641 179.476 176.870 -0.058 0.000 1.073 1157 L CA 2.432 57.182 54.840 -0.150 0.000 0.753 1157 L CB -0.885 41.042 42.059 -0.220 0.000 0.890 1157 L HN 0.384 nan 8.230 nan 0.000 0.432 1158 A N -0.360 122.447 122.820 -0.021 0.000 1.851 1158 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 1158 A C 2.477 180.040 177.584 -0.035 0.000 1.195 1158 A CA 2.364 54.420 52.037 0.031 0.000 0.622 1158 A CB -1.411 17.657 19.000 0.112 0.000 0.831 1158 A HN 0.622 nan 8.150 nan 0.000 0.444 1159 A N -1.119 121.603 122.820 -0.162 0.000 1.877 1159 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 1159 A C 2.087 179.404 177.584 -0.445 0.000 1.186 1159 A CA 1.642 53.419 52.037 -0.433 0.000 0.620 1159 A CB -1.030 17.436 19.000 -0.890 0.000 0.822 1159 A HN 0.721 nan 8.150 nan 0.000 0.443 1160 H N -0.677 118.169 119.070 -0.372 0.000 2.299 1160 H HA -0.032 4.524 4.556 -0.000 0.000 0.302 1160 H C 1.063 176.369 175.328 -0.037 0.000 1.078 1160 H CA 1.514 57.475 56.048 -0.145 0.000 1.323 1160 H CB 0.080 29.687 29.762 -0.258 0.000 1.381 1160 H HN 0.425 nan 8.280 nan 0.000 0.498 1161 E N 0.655 120.893 120.200 0.063 0.000 2.463 1161 E HA -0.020 4.330 4.350 -0.000 0.000 0.193 1161 E C -0.043 176.589 176.600 0.054 0.000 1.041 1161 E CA -0.279 56.150 56.400 0.048 0.000 0.879 1161 E CB -0.297 29.413 29.700 0.016 0.000 0.997 1161 E HN 0.311 nan 8.360 nan 0.000 0.478 1162 N N 0.634 119.366 118.700 0.053 0.000 2.696 1162 N HA -0.175 4.565 4.740 -0.000 0.000 0.256 1162 N C -0.871 174.687 175.510 0.080 0.000 1.031 1162 N CA 0.818 53.908 53.050 0.067 0.000 0.730 1162 N CB -1.341 37.190 38.487 0.074 0.000 0.894 1162 N HN 0.086 nan 8.380 nan 0.000 0.544 1163 V N -3.140 116.827 119.914 0.088 0.000 3.102 1163 V HA 0.810 4.930 4.120 -0.000 0.000 0.312 1163 V C 0.307 176.492 176.094 0.151 0.000 1.135 1163 V CA -1.056 61.313 62.300 0.115 0.000 1.022 1163 V CB 2.297 34.187 31.823 0.112 0.000 1.056 1163 V HN -0.074 nan 8.190 nan 0.000 0.436 1164 V N 2.299 122.320 119.914 0.178 0.000 2.364 1164 V HA 0.421 4.541 4.120 -0.000 0.000 0.272 1164 V C 0.102 176.343 176.094 0.245 0.000 1.036 1164 V CA -0.305 62.124 62.300 0.215 0.000 0.880 1164 V CB 1.158 33.107 31.823 0.210 0.000 0.991 1164 V HN 0.714 nan 8.190 nan 0.000 0.460 1165 V N 6.238 126.325 119.914 0.289 0.000 2.439 1165 V HA 0.472 4.592 4.120 -0.000 0.000 0.282 1165 V C -0.079 176.238 176.094 0.371 0.000 1.039 1165 V CA -0.389 62.112 62.300 0.335 0.000 0.913 1165 V CB 1.832 33.835 31.823 0.300 0.000 0.983 1165 V HN 0.608 nan 8.190 nan 0.000 0.460 1166 V N 3.914 124.013 119.914 0.308 0.000 2.483 1166 V HA 0.499 4.619 4.120 -0.000 0.000 0.297 1166 V C 0.052 176.293 176.094 0.246 0.000 1.027 1166 V CA -0.565 61.881 62.300 0.242 0.000 0.855 1166 V CB 2.215 34.123 31.823 0.141 0.000 0.995 1166 V HN 0.983 nan 8.190 nan 0.000 0.424 1167 T N 3.429 118.156 114.554 0.289 0.000 2.756 1167 T HA 0.772 5.122 4.350 -0.000 0.000 0.290 1167 T C -0.368 174.465 174.700 0.222 0.000 0.985 1167 T CA -0.465 61.819 62.100 0.307 0.000 0.955 1167 T CB 0.941 70.041 68.868 0.386 0.000 0.930 1167 T HN 0.622 nan 8.240 nan 0.000 0.451 1168 I N 0.548 121.214 120.570 0.159 0.000 2.793 1168 I HA 0.675 4.845 4.170 -0.000 0.000 0.313 1168 I C -0.440 175.845 176.117 0.280 0.000 0.998 1168 I CA -1.252 60.133 61.300 0.142 0.000 1.140 1168 I CB 1.545 39.519 38.000 -0.042 0.000 1.327 1168 I HN 0.523 nan 8.210 nan 0.000 0.491 1169 Q N 2.003 122.014 119.800 0.350 0.000 2.399 1169 Q HA 0.604 4.944 4.340 -0.000 0.000 0.276 1169 Q C -1.803 174.450 176.000 0.422 0.000 1.098 1169 Q CA -0.771 55.233 55.803 0.335 0.000 0.827 1169 Q CB 2.759 31.637 28.738 0.233 0.000 1.386 1169 Q HN 0.723 nan 8.270 nan 0.000 0.443 1170 Y N -2.712 117.735 120.300 0.246 0.000 2.638 1170 Y HA 0.572 5.122 4.550 -0.000 0.000 0.335 1170 Y C -0.951 175.036 175.900 0.146 0.000 1.155 1170 Y CA -1.523 56.687 58.100 0.184 0.000 1.046 1170 Y CB 0.847 39.369 38.460 0.104 0.000 1.303 1170 Y HN 0.384 nan 8.280 nan 0.000 0.460 1171 R N 1.631 122.243 120.500 0.188 0.000 2.590 1171 R HA 0.532 4.872 4.340 -0.000 0.000 0.274 1171 R C -0.888 175.538 176.300 0.209 0.000 1.061 1171 R CA -0.183 55.989 56.100 0.119 0.000 1.081 1171 R CB 0.367 30.742 30.300 0.124 0.000 0.984 1171 R HN 0.665 nan 8.270 nan 0.000 0.448 1172 L N 0.764 122.136 121.223 0.249 0.000 2.271 1172 L HA 0.542 4.882 4.340 -0.000 0.000 0.265 1172 L C 1.225 178.423 176.870 0.546 0.000 1.013 1172 L CA -0.743 54.346 54.840 0.416 0.000 0.820 1172 L CB 1.334 43.539 42.059 0.243 0.000 1.352 1172 L HN 0.870 nan 8.230 nan 0.000 0.443 1173 G N 0.385 109.502 108.800 0.529 0.000 2.602 1173 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.317 1173 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.317 1173 G C 0.870 176.054 174.900 0.472 0.000 1.327 1173 G CA 0.658 46.019 45.100 0.435 0.000 0.971 1173 G HN 0.680 nan 8.290 nan 0.000 0.540 1174 I N -0.700 120.062 120.570 0.320 0.000 2.145 1174 I HA -0.238 3.932 4.170 -0.000 0.000 0.244 1174 I C 2.797 179.147 176.117 0.388 0.000 1.075 1174 I CA 2.514 63.941 61.300 0.212 0.000 1.332 1174 I CB -0.376 37.502 38.000 -0.204 0.000 1.033 1174 I HN 0.554 nan 8.210 nan 0.000 0.410 1175 W N 0.635 122.132 121.300 0.329 0.000 2.350 1175 W HA -0.105 4.555 4.660 -0.000 0.000 0.289 1175 W C 2.209 178.848 176.519 0.199 0.000 1.215 1175 W CA 1.326 58.776 57.345 0.175 0.000 1.236 1175 W CB -0.688 28.786 29.460 0.023 0.000 1.130 1175 W HN 0.265 nan 8.180 nan 0.000 0.541 1176 G N -2.927 106.116 108.800 0.405 0.000 3.228 1176 G HA2 0.142 4.102 3.960 -0.000 0.000 0.245 1176 G HA3 0.142 4.102 3.960 -0.000 0.000 0.245 1176 G C 0.492 175.040 174.900 -0.586 0.000 1.051 1176 G CA -0.072 45.028 45.100 -0.001 0.000 0.809 1176 G HN 0.093 nan 8.290 nan 0.000 0.531 1177 F N -0.805 119.395 119.950 0.417 0.000 2.915 1177 F HA 0.411 4.938 4.527 -0.000 0.000 0.347 1177 F C 0.285 176.188 175.800 0.172 0.000 1.104 1177 F CA -1.694 56.404 58.000 0.164 0.000 1.126 1177 F CB 0.250 39.272 39.000 0.037 0.000 1.145 1177 F HN 0.016 nan 8.300 nan 0.000 0.541 1178 F N 2.080 122.234 119.950 0.341 0.000 2.608 1178 F HA 0.352 4.879 4.527 0.000 0.000 0.380 1178 F C 0.466 176.355 175.800 0.148 0.000 1.083 1178 F CA 0.375 58.475 58.000 0.167 0.000 1.266 1178 F CB 0.462 39.429 39.000 -0.056 0.000 1.076 1178 F HN -0.088 nan 8.300 nan 0.000 0.574 1179 S N 3.250 118.500 115.700 -0.750 0.000 2.549 1179 S HA 0.443 4.913 4.470 -0.000 0.000 0.280 1179 S C 0.291 174.479 174.600 -0.686 0.000 1.109 1179 S CA -0.035 57.836 58.200 -0.549 0.000 0.905 1179 S CB 1.571 64.595 63.200 -0.293 0.000 1.081 1179 S HN 0.827 nan 8.310 nan 0.000 0.477 1180 T N 0.031 114.368 114.554 -0.363 0.000 3.010 1180 T HA 0.412 4.762 4.350 -0.000 0.000 0.257 1180 T C 1.405 176.042 174.700 -0.106 0.000 1.020 1180 T CA 0.681 62.655 62.100 -0.209 0.000 0.938 1180 T CB 0.079 68.933 68.868 -0.023 0.000 1.049 1180 T HN 1.822 nan 8.240 nan 0.000 0.522 1181 G N 2.377 111.110 108.800 -0.112 0.000 2.162 1181 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.260 1181 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.260 1181 G C -0.323 174.548 174.900 -0.048 0.000 0.976 1181 G CA 0.383 45.437 45.100 -0.078 0.000 0.655 1181 G HN 0.976 nan 8.290 nan 0.000 0.533 1182 D N -1.748 118.634 120.400 -0.030 0.000 2.652 1182 D HA 0.420 5.060 4.640 -0.000 0.000 0.285 1182 D C 1.110 177.373 176.300 -0.061 0.000 1.173 1182 D CA -0.214 53.761 54.000 -0.043 0.000 0.981 1182 D CB -0.144 40.642 40.800 -0.023 0.000 1.440 1182 D HN 0.123 nan 8.370 nan 0.000 0.485 1183 E N -0.224 119.882 120.200 -0.157 0.000 2.533 1183 E HA -0.204 4.146 4.350 -0.000 0.000 0.203 1183 E C 0.115 176.623 176.600 -0.155 0.000 1.101 1183 E CA 0.874 57.179 56.400 -0.158 0.000 0.894 1183 E CB -0.593 28.990 29.700 -0.195 0.000 0.843 1183 E HN 0.471 nan 8.360 nan 0.000 0.552 1184 H N 0.075 119.211 119.070 0.109 0.000 2.575 1184 H HA 0.269 4.825 4.556 0.000 0.000 0.267 1184 H C 0.088 175.547 175.328 0.218 0.000 0.966 1184 H CA 0.352 56.481 56.048 0.135 0.000 1.165 1184 H CB 0.858 30.683 29.762 0.104 0.000 1.433 1184 H HN 0.103 nan 8.280 nan 0.000 0.544 1185 S N 0.008 115.916 115.700 0.348 0.000 2.923 1185 S HA 0.114 4.584 4.470 -0.000 0.000 0.142 1185 S C 0.821 175.596 174.600 0.293 0.000 0.692 1185 S CA -0.522 58.010 58.200 0.553 0.000 0.848 1185 S CB -0.064 63.448 63.200 0.520 0.000 1.562 1185 S HN 0.216 nan 8.310 nan 0.000 0.535 1186 R N 1.432 122.021 120.500 0.149 0.000 2.097 1186 R HA 0.198 4.538 4.340 -0.000 0.000 0.236 1186 R C 1.477 177.554 176.300 -0.371 0.000 1.135 1186 R CA 1.527 57.549 56.100 -0.131 0.000 0.934 1186 R CB -0.279 29.933 30.300 -0.145 0.000 0.846 1186 R HN 0.851 nan 8.270 nan 0.000 0.431 1187 G N -1.322 106.895 108.800 -0.973 0.000 2.298 1187 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.309 1187 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.309 1187 G C -1.053 173.105 174.900 -1.235 0.000 1.279 1187 G CA -0.402 44.016 45.100 -1.136 0.000 1.042 1187 G HN 0.244 nan 8.290 nan 0.000 0.480 1188 N N -0.759 117.557 118.700 -0.641 0.000 2.708 1188 N HA -0.198 4.542 4.740 -0.000 0.000 0.249 1188 N C 1.137 176.408 175.510 -0.399 0.000 1.097 1188 N CA 1.825 54.689 53.050 -0.311 0.000 0.710 1188 N CB -1.378 37.074 38.487 -0.058 0.000 1.032 1188 N HN 0.679 nan 8.380 nan 0.000 0.551 1189 W N 0.350 121.540 121.300 -0.184 0.000 2.338 1189 W HA -0.079 4.581 4.660 0.000 0.000 0.304 1189 W C 2.481 178.879 176.519 -0.203 0.000 1.212 1189 W CA 0.688 57.959 57.345 -0.122 0.000 1.264 1189 W CB -0.563 28.863 29.460 -0.056 0.000 1.142 1189 W HN 0.306 nan 8.180 nan 0.000 0.512 1190 G N -0.316 108.244 108.800 -0.399 0.000 2.418 1190 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 1190 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 1190 G C 1.209 176.048 174.900 -0.102 0.000 1.158 1190 G CA 1.139 46.063 45.100 -0.294 0.000 0.771 1190 G HN 0.285 nan 8.290 nan 0.000 0.545 1191 H N 0.155 119.197 119.070 -0.047 0.000 2.491 1191 H HA 0.131 4.687 4.556 0.000 0.000 0.290 1191 H C 2.594 177.905 175.328 -0.028 0.000 1.050 1191 H CA 0.544 56.564 56.048 -0.046 0.000 1.309 1191 H CB -0.009 29.744 29.762 -0.015 0.000 1.392 1191 H HN 0.287 nan 8.280 nan 0.000 0.554 1192 L N 0.209 121.512 121.223 0.134 0.000 2.240 1192 L HA -0.109 4.231 4.340 -0.000 0.000 0.211 1192 L C 1.865 178.828 176.870 0.155 0.000 1.106 1192 L CA 0.682 55.604 54.840 0.137 0.000 0.793 1192 L CB -0.065 42.100 42.059 0.176 0.000 0.927 1192 L HN 0.082 nan 8.230 nan 0.000 0.446 1193 D N -0.055 120.457 120.400 0.188 0.000 2.117 1193 D HA -0.176 4.464 4.640 -0.000 0.000 0.198 1193 D C 2.210 178.588 176.300 0.131 0.000 0.982 1193 D CA 0.992 55.165 54.000 0.288 0.000 0.828 1193 D CB -0.154 40.878 40.800 0.386 0.000 0.967 1193 D HN 0.358 nan 8.370 nan 0.000 0.464 1194 Q N 0.323 120.148 119.800 0.043 0.000 2.096 1194 Q HA -0.113 4.227 4.340 -0.000 0.000 0.204 1194 Q C 2.339 178.284 176.000 -0.091 0.000 0.982 1194 Q CA 0.899 56.645 55.803 -0.095 0.000 0.850 1194 Q CB -0.016 28.623 28.738 -0.165 0.000 0.901 1194 Q HN 0.144 nan 8.270 nan 0.000 0.422 1195 V N 0.556 120.463 119.914 -0.011 0.000 2.379 1195 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 1195 V C 2.167 178.280 176.094 0.031 0.000 1.044 1195 V CA 1.683 63.993 62.300 0.017 0.000 1.036 1195 V CB -0.731 31.121 31.823 0.049 0.000 0.664 1195 V HN 0.401 nan 8.190 nan 0.000 0.453 1196 A N -0.198 122.662 122.820 0.067 0.000 1.969 1196 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 1196 A C 2.368 179.969 177.584 0.028 0.000 1.169 1196 A CA 1.876 53.996 52.037 0.139 0.000 0.635 1196 A CB -0.575 18.597 19.000 0.287 0.000 0.810 1196 A HN 0.552 nan 8.150 nan 0.000 0.445 1197 A N -0.341 122.261 122.820 -0.362 0.000 1.897 1197 A HA 0.052 4.372 4.320 -0.000 0.000 0.215 1197 A C 2.095 179.577 177.584 -0.170 0.000 1.181 1197 A CA 1.253 52.844 52.037 -0.743 0.000 0.620 1197 A CB -0.494 17.862 19.000 -1.074 0.000 0.821 1197 A HN 0.448 nan 8.150 nan 0.000 0.443 1198 L N -1.153 120.018 121.223 -0.087 0.000 2.201 1198 L HA -0.100 4.240 4.340 -0.000 0.000 0.212 1198 L C 2.729 179.651 176.870 0.088 0.000 1.105 1198 L CA 1.407 56.261 54.840 0.023 0.000 0.775 1198 L CB -0.316 41.765 42.059 0.038 0.000 0.913 1198 L HN 0.468 nan 8.230 nan 0.000 0.440 1199 R N -0.809 119.750 120.500 0.098 0.000 2.200 1199 R HA -0.179 4.161 4.340 -0.000 0.000 0.208 1199 R C 2.142 178.527 176.300 0.141 0.000 1.033 1199 R CA 0.644 56.808 56.100 0.107 0.000 1.000 1199 R CB -0.158 30.205 30.300 0.104 0.000 0.906 1199 R HN 0.389 nan 8.270 nan 0.000 0.462 1200 W N 0.108 121.424 121.300 0.026 0.000 2.436 1200 W HA -0.096 4.564 4.660 0.000 0.000 0.284 1200 W C 1.350 177.891 176.519 0.036 0.000 1.225 1200 W CA 0.772 58.155 57.345 0.064 0.000 1.271 1200 W CB 0.113 29.647 29.460 0.123 0.000 1.114 1200 W HN -0.179 nan 8.180 nan 0.000 0.559 1201 V N 0.983 121.086 119.914 0.314 0.000 2.358 1201 V HA -0.308 3.812 4.120 -0.000 0.000 0.246 1201 V C 2.545 178.638 176.094 -0.002 0.000 1.047 1201 V CA 1.890 64.306 62.300 0.194 0.000 1.035 1201 V CB -0.936 31.015 31.823 0.214 0.000 0.658 1201 V HN 0.148 nan 8.190 nan 0.000 0.452 1202 Q N 0.013 119.822 119.800 0.014 0.000 2.096 1202 Q HA -0.221 4.119 4.340 -0.000 0.000 0.204 1202 Q C 1.964 177.910 176.000 -0.090 0.000 0.982 1202 Q CA 1.791 57.587 55.803 -0.011 0.000 0.850 1202 Q CB -0.544 28.200 28.738 0.010 0.000 0.901 1202 Q HN 0.655 nan 8.270 nan 0.000 0.422 1203 D N -0.547 119.749 120.400 -0.172 0.000 2.289 1203 D HA -0.013 4.627 4.640 -0.000 0.000 0.207 1203 D C 1.069 177.148 176.300 -0.367 0.000 0.966 1203 D CA 0.506 54.357 54.000 -0.248 0.000 0.868 1203 D CB 0.146 40.789 40.800 -0.263 0.000 0.943 1203 D HN 0.309 nan 8.370 nan 0.000 0.514 1204 N N -0.124 118.253 118.700 -0.539 0.000 2.266 1204 N HA 0.004 4.744 4.740 -0.000 0.000 0.217 1204 N C 1.661 177.047 175.510 -0.206 0.000 1.211 1204 N CA -0.232 52.479 53.050 -0.565 0.000 0.881 1204 N CB 0.789 38.496 38.487 -1.300 0.000 1.153 1204 N HN -0.023 nan 8.380 nan 0.000 0.489 1205 I N 2.905 123.395 120.570 -0.133 0.000 2.300 1205 I HA -0.220 3.950 4.170 -0.000 0.000 0.252 1205 I C 2.167 178.404 176.117 0.201 0.000 1.119 1205 I CA 0.832 62.206 61.300 0.123 0.000 1.384 1205 I CB -0.409 37.656 38.000 0.108 0.000 1.062 1205 I HN 0.107 nan 8.210 nan 0.000 0.426 1206 A N -1.181 121.685 122.820 0.076 0.000 2.076 1206 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 1206 A C 2.334 179.943 177.584 0.042 0.000 1.160 1206 A CA 1.846 53.917 52.037 0.056 0.000 0.653 1206 A CB -0.829 18.172 19.000 0.002 0.000 0.801 1206 A HN 0.468 nan 8.150 nan 0.000 0.455 1207 S N -1.234 114.475 115.700 0.014 0.000 2.607 1207 S HA 0.108 4.578 4.470 -0.000 0.000 0.224 1207 S C 0.395 174.764 174.600 -0.385 0.000 0.969 1207 S CA 0.451 58.535 58.200 -0.193 0.000 0.927 1207 S CB -0.346 62.663 63.200 -0.318 0.000 0.772 1207 S HN 0.583 nan 8.310 nan 0.000 0.533 1208 F N 0.386 120.326 119.950 -0.016 0.000 2.683 1208 F HA 0.391 4.918 4.527 -0.000 0.000 0.306 1208 F C 1.522 177.370 175.800 0.080 0.000 1.102 1208 F CA -0.238 57.776 58.000 0.024 0.000 1.244 1208 F CB 0.338 39.355 39.000 0.028 0.000 1.029 1208 F HN 0.187 nan 8.300 nan 0.000 0.545 1209 G N 0.522 109.429 108.800 0.179 0.000 2.132 1209 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.234 1209 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.234 1209 G C 0.429 175.417 174.900 0.147 0.000 0.989 1209 G CA -0.219 44.968 45.100 0.145 0.000 0.676 1209 G HN 0.745 nan 8.290 nan 0.000 0.522 1210 G N -0.535 108.362 108.800 0.163 0.000 2.400 1210 G HA2 0.537 4.497 3.960 -0.000 0.000 0.333 1210 G HA3 0.537 4.497 3.960 -0.000 0.000 0.333 1210 G C -0.448 174.509 174.900 0.095 0.000 1.143 1210 G CA -0.258 44.925 45.100 0.138 0.000 0.914 1210 G HN 0.536 nan 8.290 nan 0.000 0.480 1211 N N 1.803 120.549 118.700 0.077 0.000 2.420 1211 N HA 0.334 5.074 4.740 -0.000 0.000 0.249 1211 N C -1.263 174.277 175.510 0.050 0.000 1.033 1211 N CA -2.399 50.678 53.050 0.046 0.000 0.944 1211 N CB 2.020 40.522 38.487 0.025 0.000 1.113 1211 N HN 0.102 nan 8.380 nan 0.000 0.502 1212 P HA 0.046 nan 4.420 nan 0.000 0.228 1212 P C 0.897 178.231 177.300 0.057 0.000 1.151 1212 P CA 0.677 63.810 63.100 0.055 0.000 0.770 1212 P CB 0.106 31.822 31.700 0.027 0.000 0.786 1213 G N -1.131 107.665 108.800 -0.007 0.000 2.880 1213 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.209 1213 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.209 1213 G C 0.476 175.220 174.900 -0.260 0.000 1.157 1213 G CA 0.157 45.182 45.100 -0.125 0.000 0.779 1213 G HN 0.397 nan 8.290 nan 0.000 0.539 1214 S N 0.328 115.990 115.700 -0.065 0.000 2.259 1214 S HA 0.541 5.011 4.470 -0.000 0.000 0.181 1214 S C -0.986 173.680 174.600 0.111 0.000 1.589 1214 S CA -0.455 57.731 58.200 -0.024 0.000 1.234 1214 S CB 0.457 63.643 63.200 -0.025 0.000 1.119 1214 S HN -0.057 nan 8.310 nan 0.000 0.458 1215 V N 3.822 123.872 119.914 0.226 0.000 2.495 1215 V HA 0.600 4.720 4.120 -0.000 0.000 0.298 1215 V C -0.014 176.252 176.094 0.288 0.000 1.031 1215 V CA -0.505 61.944 62.300 0.248 0.000 0.871 1215 V CB 2.022 33.997 31.823 0.253 0.000 0.988 1215 V HN 0.734 nan 8.190 nan 0.000 0.432 1216 T N 5.889 120.605 114.554 0.270 0.000 2.807 1216 T HA 0.672 5.022 4.350 -0.000 0.000 0.279 1216 T C -0.289 174.579 174.700 0.281 0.000 0.993 1216 T CA -0.275 62.008 62.100 0.304 0.000 0.970 1216 T CB 1.389 70.459 68.868 0.337 0.000 0.950 1216 T HN 0.648 nan 8.240 nan 0.000 0.441 1217 I N 0.949 121.606 120.570 0.145 0.000 2.460 1217 I HA 0.931 5.101 4.170 -0.000 0.000 0.298 1217 I C -1.083 175.088 176.117 0.090 0.000 0.989 1217 I CA -1.261 60.002 61.300 -0.063 0.000 1.173 1217 I CB 1.393 39.169 38.000 -0.373 0.000 1.338 1217 I HN 0.672 nan 8.210 nan 0.000 0.456 1218 F N 2.310 122.245 119.950 -0.025 0.000 2.665 1218 F HA 0.958 5.485 4.527 0.000 0.000 0.308 1218 F C -0.510 175.165 175.800 -0.209 0.000 1.112 1218 F CA -0.572 57.430 58.000 0.003 0.000 0.972 1218 F CB 1.263 40.375 39.000 0.186 0.000 1.295 1218 F HN 0.862 nan 8.300 nan 0.000 0.440 1219 G N 0.849 109.518 108.800 -0.219 0.000 2.576 1219 G HA2 0.508 4.468 3.960 -0.000 0.000 0.290 1219 G HA3 0.508 4.468 3.960 -0.000 0.000 0.290 1219 G C -2.620 172.086 174.900 -0.323 0.000 1.442 1219 G CA -0.754 43.821 45.100 -0.875 0.000 0.792 1219 G HN 0.853 nan 8.290 nan 0.000 0.491 1220 E N 0.013 120.033 120.200 -0.300 0.000 2.312 1220 E HA 0.683 5.033 4.350 -0.000 0.000 0.267 1220 E C 0.627 177.251 176.600 0.041 0.000 0.894 1220 E CA 0.381 56.781 56.400 -0.000 0.000 0.773 1220 E CB 2.205 31.977 29.700 0.120 0.000 1.241 1220 E HN 1.122 nan 8.360 nan 0.000 0.432 1221 S N 2.166 117.951 115.700 0.141 0.000 3.961 1221 S HA -0.371 4.099 4.470 -0.000 0.000 0.627 1221 S C 1.423 176.122 174.600 0.165 0.000 2.148 1221 S CA 2.077 60.460 58.200 0.305 0.000 4.099 1221 S CB -1.685 61.780 63.200 0.441 0.000 0.219 1221 S HN 1.089 nan 8.310 nan 0.000 0.744 1222 A N 0.927 123.833 122.820 0.143 0.000 2.076 1222 A HA 0.145 4.465 4.320 -0.000 0.000 0.220 1222 A C 2.395 179.953 177.584 -0.043 0.000 1.160 1222 A CA 2.380 54.441 52.037 0.039 0.000 0.653 1222 A CB -1.526 17.501 19.000 0.044 0.000 0.801 1222 A HN 1.676 nan 8.150 nan 0.000 0.455 1223 G N -0.997 107.756 108.800 -0.078 0.000 2.464 1223 G HA2 0.157 4.117 3.960 -0.000 0.000 0.217 1223 G HA3 0.157 4.117 3.960 -0.000 0.000 0.217 1223 G C 1.349 176.108 174.900 -0.236 0.000 1.138 1223 G CA 1.054 46.002 45.100 -0.254 0.000 0.793 1223 G HN 0.630 nan 8.290 nan 0.000 0.539 1224 G N 0.240 108.973 108.800 -0.111 0.000 2.426 1224 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.214 1224 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.214 1224 G C 1.491 176.351 174.900 -0.067 0.000 1.156 1224 G CA 0.880 45.940 45.100 -0.067 0.000 0.802 1224 G HN 0.366 nan 8.290 nan 0.000 0.534 1225 E N 1.178 121.348 120.200 -0.050 0.000 2.160 1225 E HA -0.114 4.236 4.350 -0.000 0.000 0.195 1225 E C 2.435 178.976 176.600 -0.097 0.000 0.991 1225 E CA 1.247 57.610 56.400 -0.061 0.000 0.810 1225 E CB -0.115 29.557 29.700 -0.046 0.000 0.742 1225 E HN 0.367 nan 8.360 nan 0.000 0.466 1226 S N -0.176 115.456 115.700 -0.112 0.000 2.377 1226 S HA -0.065 4.405 4.470 -0.000 0.000 0.223 1226 S C 2.153 176.611 174.600 -0.236 0.000 1.030 1226 S CA 0.853 58.968 58.200 -0.141 0.000 0.970 1226 S CB -0.123 62.961 63.200 -0.194 0.000 0.830 1226 S HN 0.110 nan 8.310 nan 0.000 0.473 1227 V N 1.665 121.435 119.914 -0.239 0.000 2.343 1227 V HA -0.165 3.955 4.120 -0.000 0.000 0.247 1227 V C 2.622 178.571 176.094 -0.241 0.000 1.051 1227 V CA 1.972 64.108 62.300 -0.274 0.000 1.036 1227 V CB -0.777 30.924 31.823 -0.203 0.000 0.654 1227 V HN 0.546 nan 8.190 nan 0.000 0.451 1228 S N -0.507 115.099 115.700 -0.155 0.000 2.368 1228 S HA -0.162 4.308 4.470 -0.000 0.000 0.225 1228 S C 1.955 176.456 174.600 -0.165 0.000 1.030 1228 S CA 1.856 59.979 58.200 -0.128 0.000 0.999 1228 S CB -0.151 63.012 63.200 -0.061 0.000 0.844 1228 S HN 0.352 nan 8.310 nan 0.000 0.459 1229 V N 2.077 121.866 119.914 -0.208 0.000 2.358 1229 V HA -0.091 4.029 4.120 -0.000 0.000 0.246 1229 V C 2.338 178.304 176.094 -0.213 0.000 1.047 1229 V CA 1.597 63.747 62.300 -0.250 0.000 1.035 1229 V CB -0.670 30.885 31.823 -0.447 0.000 0.658 1229 V HN 0.477 nan 8.190 nan 0.000 0.452 1230 L N -0.301 120.786 121.223 -0.227 0.000 2.191 1230 L HA -0.112 4.228 4.340 -0.000 0.000 0.212 1230 L C 2.322 179.212 176.870 0.034 0.000 1.103 1230 L CA 0.859 55.616 54.840 -0.138 0.000 0.769 1230 L CB -0.543 41.361 42.059 -0.258 0.000 0.908 1230 L HN 0.227 nan 8.230 nan 0.000 0.438 1231 V N -0.254 119.644 119.914 -0.026 0.000 2.809 1231 V HA -0.178 3.942 4.120 -0.000 0.000 0.256 1231 V C 2.044 178.160 176.094 0.037 0.000 1.080 1231 V CA 1.157 63.523 62.300 0.111 0.000 1.102 1231 V CB -0.110 31.640 31.823 -0.122 0.000 0.705 1231 V HN 0.389 nan 8.190 nan 0.000 0.475 1232 L N -0.841 120.365 121.223 -0.028 0.000 2.554 1232 L HA 0.196 4.536 4.340 -0.000 0.000 0.225 1232 L C 1.212 178.059 176.870 -0.038 0.000 1.104 1232 L CA 0.231 55.049 54.840 -0.036 0.000 0.866 1232 L CB 0.263 42.285 42.059 -0.061 0.000 1.047 1232 L HN 0.237 nan 8.230 nan 0.000 0.468 1233 S N 0.650 116.329 115.700 -0.035 0.000 2.475 1233 S HA 0.244 4.714 4.470 -0.000 0.000 0.281 1233 S C -1.249 173.340 174.600 -0.019 0.000 1.198 1233 S CA -1.529 56.649 58.200 -0.036 0.000 1.063 1233 S CB 1.021 64.190 63.200 -0.051 0.000 0.972 1233 S HN -0.038 nan 8.310 nan 0.000 0.486 1234 P HA -0.104 nan 4.420 nan 0.000 0.218 1234 P C 1.360 178.645 177.300 -0.024 0.000 1.148 1234 P CA 1.023 64.105 63.100 -0.030 0.000 0.822 1234 P CB 0.014 31.697 31.700 -0.028 0.000 0.784 1235 L N -0.808 120.408 121.223 -0.011 0.000 2.275 1235 L HA -0.048 4.292 4.340 -0.000 0.000 0.215 1235 L C 2.420 179.299 176.870 0.014 0.000 1.119 1235 L CA 1.197 56.039 54.840 0.002 0.000 0.790 1235 L CB -0.833 41.234 42.059 0.012 0.000 0.919 1235 L HN -0.047 nan 8.230 nan 0.000 0.443 1236 A N -0.549 122.290 122.820 0.032 0.000 2.275 1236 A HA -0.001 4.319 4.320 -0.000 0.000 0.212 1236 A C 1.057 178.624 177.584 -0.027 0.000 1.201 1236 A CA -0.221 51.877 52.037 0.101 0.000 0.843 1236 A CB -0.165 18.993 19.000 0.263 0.000 0.873 1236 A HN 0.187 nan 8.150 nan 0.000 0.492 1237 K N 1.193 121.529 120.400 -0.107 0.000 2.511 1237 K HA -0.053 4.267 4.320 -0.000 0.000 0.280 1237 K C -0.064 176.389 176.600 -0.245 0.000 1.008 1237 K CA 0.549 56.703 56.287 -0.223 0.000 1.050 1237 K CB -0.016 32.401 32.500 -0.138 0.000 0.889 1237 K HN 0.418 nan 8.250 nan 0.000 0.484 1238 N N 1.963 120.430 118.700 -0.388 0.000 2.936 1238 N HA -0.224 4.516 4.740 -0.000 0.000 0.236 1238 N C 0.412 175.773 175.510 -0.248 0.000 0.930 1238 N CA 1.244 54.104 53.050 -0.316 0.000 0.966 1238 N CB -1.007 37.394 38.487 -0.143 0.000 1.090 1238 N HN 0.584 nan 8.380 nan 0.000 0.592 1239 L N -0.680 120.398 121.223 -0.242 0.000 2.477 1239 L HA 0.220 4.560 4.340 -0.000 0.000 0.220 1239 L C 0.535 177.462 176.870 0.095 0.000 1.106 1239 L CA 0.403 55.238 54.840 -0.009 0.000 0.851 1239 L CB 0.011 42.141 42.059 0.119 0.000 0.994 1239 L HN 0.190 nan 8.230 nan 0.000 0.462 1240 F N -4.748 115.096 119.950 -0.176 0.000 2.686 1240 F HA 0.462 4.989 4.527 -0.000 0.000 0.311 1240 F C 0.362 175.945 175.800 -0.362 0.000 1.128 1240 F CA -0.973 56.953 58.000 -0.124 0.000 0.946 1240 F CB 0.847 39.818 39.000 -0.048 0.000 1.336 1240 F HN -0.168 nan 8.300 nan 0.000 0.457 1241 H N -0.077 119.076 119.070 0.138 0.000 3.233 1241 H HA 0.425 4.981 4.556 -0.000 0.000 0.263 1241 H C -0.503 174.891 175.328 0.109 0.000 1.168 1241 H CA -0.092 55.969 56.048 0.021 0.000 1.159 1241 H CB 0.803 30.558 29.762 -0.012 0.000 1.593 1241 H HN 0.529 nan 8.280 nan 0.000 0.580 1242 R N 0.160 120.873 120.500 0.355 0.000 2.710 1242 R HA 0.720 5.060 4.340 -0.000 0.000 0.270 1242 R C -1.417 175.117 176.300 0.389 0.000 1.021 1242 R CA -0.803 55.469 56.100 0.286 0.000 0.889 1242 R CB 2.402 32.738 30.300 0.060 0.000 1.243 1242 R HN 0.062 nan 8.270 nan 0.000 0.464 1243 A N 1.872 124.947 122.820 0.425 0.000 2.515 1243 A HA 0.794 5.114 4.320 -0.000 0.000 0.298 1243 A C -1.152 176.609 177.584 0.296 0.000 1.059 1243 A CA -0.714 51.491 52.037 0.279 0.000 0.698 1243 A CB 1.406 20.458 19.000 0.088 0.000 1.289 1243 A HN 0.613 nan 8.150 nan 0.000 0.404 1244 I N 1.611 122.274 120.570 0.156 0.000 2.497 1244 I HA 0.249 4.419 4.170 -0.000 0.000 0.284 1244 I C -0.309 175.839 176.117 0.053 0.000 1.060 1244 I CA -0.218 61.069 61.300 -0.022 0.000 1.071 1244 I CB 2.142 40.056 38.000 -0.143 0.000 1.216 1244 I HN 0.475 nan 8.210 nan 0.000 0.442 1245 S N 5.275 120.966 115.700 -0.016 0.000 2.423 1245 S HA 0.291 4.761 4.470 -0.000 0.000 0.317 1245 S C -0.187 174.423 174.600 0.018 0.000 1.065 1245 S CA -0.573 57.629 58.200 0.005 0.000 1.111 1245 S CB 0.555 63.754 63.200 -0.002 0.000 0.968 1245 S HN 0.467 nan 8.310 nan 0.000 0.474 1246 E N 2.044 122.314 120.200 0.116 0.000 2.014 1246 E HA 0.274 4.624 4.350 -0.000 0.000 0.275 1246 E C -0.323 176.332 176.600 0.091 0.000 0.997 1246 E CA -0.420 56.093 56.400 0.190 0.000 0.804 1246 E CB 0.623 30.532 29.700 0.348 0.000 1.090 1246 E HN 0.638 nan 8.360 nan 0.000 0.401 1247 S N 1.937 117.657 115.700 0.033 0.000 3.797 1247 S HA -0.124 4.346 4.470 -0.000 0.000 0.374 1247 S C 0.015 174.793 174.600 0.297 0.000 0.970 1247 S CA 0.462 58.697 58.200 0.058 0.000 1.177 1247 S CB -1.119 62.013 63.200 -0.115 0.000 0.891 1247 S HN 0.930 nan 8.310 nan 0.000 0.491 1248 G N -0.741 108.196 108.800 0.228 0.000 2.050 1248 G HA2 0.498 4.458 3.960 -0.000 0.000 0.274 1248 G HA3 0.498 4.458 3.960 -0.000 0.000 0.274 1248 G C -0.815 174.119 174.900 0.056 0.000 1.733 1248 G CA 0.052 45.274 45.100 0.204 0.000 0.905 1248 G HN 1.421 nan 8.290 nan 0.000 0.728 1249 V N -0.073 119.844 119.914 0.006 0.000 3.155 1249 V HA 0.947 5.067 4.120 -0.000 0.000 0.313 1249 V C 1.427 177.487 176.094 -0.057 0.000 1.162 1249 V CA 0.077 62.363 62.300 -0.024 0.000 1.048 1249 V CB 1.154 32.962 31.823 -0.026 0.000 1.092 1249 V HN 1.949 nan 8.190 nan 0.000 0.447 1250 A N -0.182 122.602 122.820 -0.060 0.000 1.933 1250 A HA 0.011 4.331 4.320 -0.000 0.000 0.218 1250 A C 1.810 179.343 177.584 -0.085 0.000 1.175 1250 A CA 1.962 53.951 52.037 -0.080 0.000 0.628 1250 A CB -0.872 18.079 19.000 -0.081 0.000 0.814 1250 A HN 0.878 nan 8.150 nan 0.000 0.444 1251 L N 0.103 121.279 121.223 -0.077 0.000 2.450 1251 L HA -0.076 4.264 4.340 -0.000 0.000 0.224 1251 L C 0.630 177.424 176.870 -0.127 0.000 1.149 1251 L CA 0.544 55.331 54.840 -0.088 0.000 0.816 1251 L CB -0.889 41.127 42.059 -0.070 0.000 0.932 1251 L HN 0.180 nan 8.230 nan 0.000 0.449 1252 T N 0.664 115.129 114.554 -0.148 0.000 3.416 1252 T HA -0.010 4.340 4.350 -0.000 0.000 0.247 1252 T C 1.557 176.143 174.700 -0.191 0.000 0.973 1252 T CA 0.512 62.483 62.100 -0.214 0.000 1.166 1252 T CB 0.116 68.840 68.868 -0.240 0.000 1.040 1252 T HN 0.489 nan 8.240 nan 0.000 0.746 1253 S N 2.714 118.304 115.700 -0.184 0.000 2.409 1253 S HA -0.202 4.268 4.470 -0.000 0.000 0.237 1253 S C 2.186 176.688 174.600 -0.164 0.000 1.060 1253 S CA 1.645 59.748 58.200 -0.161 0.000 1.052 1253 S CB -0.850 62.251 63.200 -0.164 0.000 0.871 1253 S HN 0.496 nan 8.310 nan 0.000 0.465 1254 V N 1.715 121.514 119.914 -0.191 0.000 2.313 1254 V HA -0.172 3.948 4.120 -0.000 0.000 0.253 1254 V C 2.155 178.161 176.094 -0.147 0.000 1.070 1254 V CA 2.405 64.605 62.300 -0.168 0.000 1.057 1254 V CB -0.513 31.205 31.823 -0.174 0.000 0.653 1254 V HN 0.702 nan 8.190 nan 0.000 0.450 1255 L N -0.474 120.660 121.223 -0.149 0.000 2.591 1255 L HA 0.179 4.519 4.340 -0.000 0.000 0.228 1255 L C 0.264 177.048 176.870 -0.144 0.000 1.133 1255 L CA -0.085 54.660 54.840 -0.158 0.000 0.880 1255 L CB 0.382 42.352 42.059 -0.149 0.000 1.033 1255 L HN 0.142 nan 8.230 nan 0.000 0.450 1256 V N 1.358 121.200 119.914 -0.120 0.000 2.304 1256 V HA 0.216 4.336 4.120 -0.000 0.000 0.278 1256 V C 0.003 176.043 176.094 -0.089 0.000 1.018 1256 V CA -0.893 61.349 62.300 -0.096 0.000 0.814 1256 V CB 1.219 32.988 31.823 -0.089 0.000 1.021 1256 V HN 0.061 nan 8.190 nan 0.000 0.440 1257 K N 4.435 124.785 120.400 -0.083 0.000 2.336 1257 K HA 0.227 4.547 4.320 -0.000 0.000 0.290 1257 K C -0.058 176.506 176.600 -0.060 0.000 1.067 1257 K CA 0.058 56.302 56.287 -0.071 0.000 0.962 1257 K CB 0.793 33.250 32.500 -0.072 0.000 1.008 1257 K HN 0.565 nan 8.250 nan 0.000 0.467 1258 K N 1.266 121.634 120.400 -0.053 0.000 2.138 1258 K HA 0.486 4.806 4.320 -0.000 0.000 0.263 1258 K C 0.170 176.750 176.600 -0.033 0.000 0.965 1258 K CA -0.083 56.178 56.287 -0.044 0.000 0.868 1258 K CB 1.077 33.552 32.500 -0.042 0.000 1.083 1258 K HN 0.705 nan 8.250 nan 0.000 0.443 1259 G N 2.418 111.200 108.800 -0.031 0.000 2.500 1259 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.209 1259 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.209 1259 G C -1.355 173.528 174.900 -0.028 0.000 1.283 1259 G CA -0.406 44.681 45.100 -0.023 0.000 0.960 1259 G HN 0.715 nan 8.290 nan 0.000 0.528 1260 D N 0.323 120.710 120.400 -0.022 0.000 2.338 1260 D HA 0.389 5.029 4.640 -0.000 0.000 0.255 1260 D C 1.747 178.028 176.300 -0.033 0.000 1.237 1260 D CA 0.591 54.576 54.000 -0.026 0.000 0.883 1260 D CB 1.203 41.993 40.800 -0.016 0.000 1.087 1260 D HN 1.261 nan 8.370 nan 0.000 0.485 1261 V N 2.320 122.203 119.914 -0.052 0.000 3.406 1261 V HA 0.078 4.198 4.120 -0.000 0.000 0.263 1261 V C 2.059 178.108 176.094 -0.076 0.000 1.172 1261 V CA 0.472 62.731 62.300 -0.068 0.000 1.140 1261 V CB -0.329 31.433 31.823 -0.101 0.000 0.784 1261 V HN 0.300 nan 8.190 nan 0.000 0.467 1262 K N 2.008 122.371 120.400 -0.062 0.000 2.107 1262 K HA -0.103 4.217 4.320 -0.000 0.000 0.211 1262 K C -0.175 176.407 176.600 -0.031 0.000 1.049 1262 K CA 2.508 58.764 56.287 -0.052 0.000 0.927 1262 K CB -1.598 30.887 32.500 -0.026 0.000 0.714 1262 K HN 0.448 nan 8.250 nan 0.000 0.452 1263 P HA -0.112 nan 4.420 nan 0.000 0.218 1263 P C 1.150 178.456 177.300 0.011 0.000 1.149 1263 P CA 1.213 64.314 63.100 0.001 0.000 0.817 1263 P CB 0.005 31.707 31.700 0.004 0.000 0.785 1264 L N -1.226 119.997 121.223 0.000 0.000 2.109 1264 L HA -0.083 4.257 4.340 -0.000 0.000 0.207 1264 L C 2.501 179.391 176.870 0.033 0.000 1.086 1264 L CA 1.321 56.176 54.840 0.025 0.000 0.760 1264 L CB -1.108 40.956 42.059 0.008 0.000 0.910 1264 L HN -0.079 nan 8.230 nan 0.000 0.437 1265 A N 0.159 122.959 122.820 -0.034 0.000 1.898 1265 A HA -0.205 4.115 4.320 -0.000 0.000 0.216 1265 A C 2.156 179.807 177.584 0.111 0.000 1.181 1265 A CA 1.544 53.565 52.037 -0.026 0.000 0.620 1265 A CB -0.390 18.481 19.000 -0.216 0.000 0.819 1265 A HN 0.430 nan 8.150 nan 0.000 0.442 1266 E N -0.820 119.414 120.200 0.058 0.000 2.150 1266 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 1266 E C 2.213 178.850 176.600 0.062 0.000 0.985 1266 E CA 1.181 57.617 56.400 0.061 0.000 0.814 1266 E CB -0.117 29.604 29.700 0.035 0.000 0.752 1266 E HN 0.809 nan 8.360 nan 0.000 0.466 1267 Q N 0.814 120.651 119.800 0.063 0.000 2.049 1267 Q HA -0.145 4.195 4.340 -0.000 0.000 0.198 1267 Q C 2.208 178.250 176.000 0.070 0.000 0.971 1267 Q CA 1.054 56.891 55.803 0.057 0.000 0.833 1267 Q CB 0.028 28.800 28.738 0.057 0.000 0.896 1267 Q HN 0.273 nan 8.270 nan 0.000 0.434 1268 I N 0.843 121.483 120.570 0.116 0.000 2.208 1268 I HA -0.300 3.870 4.170 -0.000 0.000 0.245 1268 I C 2.452 178.613 176.117 0.073 0.000 1.097 1268 I CA 1.073 62.452 61.300 0.131 0.000 1.363 1268 I CB -0.488 37.657 38.000 0.241 0.000 1.051 1268 I HN 0.284 nan 8.210 nan 0.000 0.413 1269 A N 1.043 123.916 122.820 0.087 0.000 1.902 1269 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 1269 A C 2.308 179.898 177.584 0.011 0.000 1.181 1269 A CA 1.451 53.507 52.037 0.031 0.000 0.623 1269 A CB -0.724 18.311 19.000 0.058 0.000 0.818 1269 A HN 0.376 nan 8.150 nan 0.000 0.443 1270 I N -0.535 120.049 120.570 0.023 0.000 2.163 1270 I HA -0.212 3.958 4.170 -0.000 0.000 0.240 1270 I C 2.496 178.614 176.117 0.002 0.000 1.081 1270 I CA 1.772 63.079 61.300 0.011 0.000 1.353 1270 I CB -0.829 37.180 38.000 0.015 0.000 1.054 1270 I HN 0.234 nan 8.210 nan 0.000 0.407 1271 T N 0.826 115.382 114.554 0.004 0.000 2.822 1271 T HA -0.158 4.192 4.350 -0.000 0.000 0.270 1271 T C 1.664 176.356 174.700 -0.014 0.000 1.064 1271 T CA 1.443 63.538 62.100 -0.008 0.000 1.131 1271 T CB -0.230 68.631 68.868 -0.012 0.000 0.858 1271 T HN 0.500 nan 8.240 nan 0.000 0.483 1272 A N 0.168 122.979 122.820 -0.016 0.000 2.275 1272 A HA 0.562 4.882 4.320 -0.000 0.000 0.212 1272 A C 1.626 179.195 177.584 -0.026 0.000 1.201 1272 A CA 0.524 52.544 52.037 -0.028 0.000 0.843 1272 A CB -0.347 18.622 19.000 -0.052 0.000 0.873 1272 A HN 0.730 nan 8.150 nan 0.000 0.492 1273 G N -1.300 107.490 108.800 -0.018 0.000 2.248 1273 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.252 1273 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.252 1273 G C -0.084 174.805 174.900 -0.017 0.000 1.085 1273 G CA -0.010 45.081 45.100 -0.015 0.000 0.845 1273 G HN 0.605 nan 8.290 nan 0.000 0.494 1274 c N 0.174 118.765 118.600 -0.015 0.000 2.667 1274 c HA 0.821 5.391 4.570 -0.000 0.000 0.323 1274 c C 0.425 174.515 174.090 0.000 0.000 1.214 1274 c CA -1.285 55.036 56.329 -0.013 0.000 1.721 1274 c CB 1.929 44.423 42.510 -0.026 0.000 2.275 1274 c HN 0.494 nan 8.230 nan 0.000 0.491 1275 K N 1.104 121.508 120.400 0.006 0.000 2.098 1275 K HA 0.412 4.732 4.320 -0.000 0.000 0.257 1275 K C 0.561 177.171 176.600 0.017 0.000 0.999 1275 K CA 0.054 56.348 56.287 0.011 0.000 0.924 1275 K CB 0.738 33.245 32.500 0.012 0.000 1.028 1275 K HN 0.879 nan 8.250 nan 0.000 0.466 1276 T N -2.617 111.949 114.554 0.019 0.000 3.355 1276 T HA 0.095 4.445 4.350 -0.000 0.000 0.276 1276 T C 0.878 175.590 174.700 0.020 0.000 1.003 1276 T CA -0.440 61.675 62.100 0.026 0.000 0.943 1276 T CB -0.209 68.676 68.868 0.029 0.000 1.158 1276 T HN 0.349 nan 8.240 nan 0.000 0.513 1277 T N 2.566 117.128 114.554 0.014 0.000 2.759 1277 T HA -0.009 4.341 4.350 -0.000 0.000 0.269 1277 T C 1.175 175.879 174.700 0.007 0.000 1.042 1277 T CA 1.825 63.930 62.100 0.008 0.000 1.140 1277 T CB -0.319 68.551 68.868 0.004 0.000 0.864 1277 T HN 0.871 nan 8.240 nan 0.000 0.455 1278 T N -2.722 111.835 114.554 0.005 0.000 2.769 1278 T HA 0.472 4.822 4.350 -0.000 0.000 0.306 1278 T C 0.853 175.556 174.700 0.004 0.000 1.400 1278 T CA -0.408 61.692 62.100 0.001 0.000 1.007 1278 T CB 1.536 70.389 68.868 -0.026 0.000 1.392 1278 T HN -0.192 nan 8.240 nan 0.000 0.500 1279 S N 0.531 116.242 115.700 0.019 0.000 2.343 1279 S HA -0.013 4.457 4.470 -0.000 0.000 0.219 1279 S C 2.579 177.164 174.600 -0.024 0.000 1.033 1279 S CA 1.477 59.712 58.200 0.057 0.000 1.014 1279 S CB -1.119 62.190 63.200 0.182 0.000 0.915 1279 S HN 1.021 nan 8.310 nan 0.000 0.435 1280 A N 1.136 123.783 122.820 -0.289 0.000 1.958 1280 A HA -0.138 4.182 4.320 -0.000 0.000 0.221 1280 A C 2.332 179.853 177.584 -0.106 0.000 1.178 1280 A CA 1.921 53.735 52.037 -0.371 0.000 0.642 1280 A CB -1.067 17.550 19.000 -0.638 0.000 0.816 1280 A HN 0.358 nan 8.150 nan 0.000 0.453 1281 V N -0.380 119.492 119.914 -0.070 0.000 2.427 1281 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 1281 V C 2.605 178.725 176.094 0.044 0.000 1.051 1281 V CA 2.104 64.407 62.300 0.004 0.000 1.048 1281 V CB -0.638 31.182 31.823 -0.004 0.000 0.666 1281 V HN 0.585 nan 8.190 nan 0.000 0.456 1282 M N -0.600 119.024 119.600 0.039 0.000 2.117 1282 M HA -0.142 4.338 4.480 -0.000 0.000 0.262 1282 M C 2.152 178.449 176.300 -0.006 0.000 1.065 1282 M CA 1.564 56.891 55.300 0.045 0.000 1.114 1282 M CB -0.418 32.253 32.600 0.119 0.000 1.361 1282 M HN 0.266 nan 8.290 nan 0.000 0.408 1283 V N -0.904 119.032 119.914 0.036 0.000 2.453 1283 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 1283 V C 2.325 178.447 176.094 0.046 0.000 1.048 1283 V CA 1.762 64.055 62.300 -0.012 0.000 1.049 1283 V CB -1.181 30.707 31.823 0.109 0.000 0.672 1283 V HN 0.541 nan 8.190 nan 0.000 0.457 1284 H N -0.560 118.500 119.070 -0.017 0.000 2.326 1284 H HA -0.237 4.319 4.556 -0.000 0.000 0.301 1284 H C 2.532 177.850 175.328 -0.017 0.000 1.081 1284 H CA 2.226 58.268 56.048 -0.009 0.000 1.334 1284 H CB -0.051 29.699 29.762 -0.020 0.000 1.385 1284 H HN 0.500 nan 8.280 nan 0.000 0.504 1285 c N 1.123 119.695 118.600 -0.047 0.000 2.413 1285 c HA -0.138 4.432 4.570 -0.000 0.000 0.276 1285 c C 2.985 176.998 174.090 -0.128 0.000 1.236 1285 c CA 0.972 57.235 56.329 -0.110 0.000 1.735 1285 c CB -1.420 41.064 42.510 -0.042 0.000 2.031 1285 c HN 0.573 nan 8.230 nan 0.000 0.474 1286 L N 0.103 121.252 121.223 -0.125 0.000 2.201 1286 L HA -0.071 4.269 4.340 -0.000 0.000 0.212 1286 L C 2.935 179.811 176.870 0.010 0.000 1.105 1286 L CA 1.237 56.006 54.840 -0.118 0.000 0.775 1286 L CB -0.707 41.147 42.059 -0.343 0.000 0.913 1286 L HN 0.389 nan 8.230 nan 0.000 0.440 1287 R N -0.194 120.315 120.500 0.014 0.000 2.189 1287 R HA -0.128 4.212 4.340 -0.000 0.000 0.223 1287 R C 1.963 178.206 176.300 -0.095 0.000 1.092 1287 R CA 0.835 56.926 56.100 -0.015 0.000 0.989 1287 R CB -0.070 30.223 30.300 -0.010 0.000 0.876 1287 R HN 0.547 nan 8.270 nan 0.000 0.457 1288 Q N 0.084 119.800 119.800 -0.140 0.000 2.398 1288 Q HA 0.039 4.379 4.340 -0.000 0.000 0.204 1288 Q C 0.056 176.008 176.000 -0.079 0.000 0.932 1288 Q CA 0.359 56.084 55.803 -0.130 0.000 0.916 1288 Q CB 0.395 29.026 28.738 -0.179 0.000 1.024 1288 Q HN -0.004 nan 8.270 nan 0.000 0.504 1289 K N 2.138 122.497 120.400 -0.067 0.000 2.414 1289 K HA 0.037 4.357 4.320 -0.000 0.000 0.272 1289 K C 0.424 177.017 176.600 -0.011 0.000 0.993 1289 K CA 0.236 56.499 56.287 -0.040 0.000 0.964 1289 K CB 0.454 32.925 32.500 -0.048 0.000 0.925 1289 K HN 0.150 nan 8.250 nan 0.000 0.487 1290 T N -2.331 112.229 114.554 0.010 0.000 2.882 1290 T HA 0.068 4.418 4.350 -0.000 0.000 0.287 1290 T C 1.316 176.078 174.700 0.103 0.000 1.014 1290 T CA -0.599 61.523 62.100 0.037 0.000 1.049 1290 T CB 1.213 70.096 68.868 0.025 0.000 1.001 1290 T HN 0.621 nan 8.240 nan 0.000 0.525 1291 E N 0.395 120.681 120.200 0.142 0.000 2.097 1291 E HA -0.239 4.111 4.350 -0.000 0.000 0.196 1291 E C 1.762 178.523 176.600 0.267 0.000 1.000 1291 E CA 1.424 57.989 56.400 0.276 0.000 0.804 1291 E CB -0.000 29.770 29.700 0.117 0.000 0.740 1291 E HN 0.696 nan 8.360 nan 0.000 0.454 1292 E N 0.548 120.828 120.200 0.134 0.000 2.110 1292 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 1292 E C 1.947 178.614 176.600 0.111 0.000 0.988 1292 E CA 1.091 57.554 56.400 0.105 0.000 0.804 1292 E CB -0.137 29.594 29.700 0.053 0.000 0.745 1292 E HN 0.481 nan 8.360 nan 0.000 0.458 1293 E N 0.553 120.806 120.200 0.089 0.000 2.047 1293 E HA -0.069 4.281 4.350 -0.000 0.000 0.191 1293 E C 2.290 178.924 176.600 0.058 0.000 0.987 1293 E CA 0.510 56.942 56.400 0.054 0.000 0.799 1293 E CB -0.118 29.595 29.700 0.022 0.000 0.752 1293 E HN 0.172 nan 8.360 nan 0.000 0.449 1294 L N 0.798 122.064 121.223 0.072 0.000 2.265 1294 L HA -0.158 4.182 4.340 -0.000 0.000 0.215 1294 L C 2.366 179.281 176.870 0.075 0.000 1.117 1294 L CA 0.187 54.999 54.840 -0.046 0.000 0.782 1294 L CB -0.153 41.750 42.059 -0.259 0.000 0.914 1294 L HN 0.180 nan 8.230 nan 0.000 0.441 1295 L N -0.449 120.959 121.223 0.309 0.000 2.209 1295 L HA -0.081 4.259 4.340 -0.000 0.000 0.207 1295 L C 2.241 179.217 176.870 0.178 0.000 1.094 1295 L CA 1.551 56.610 54.840 0.366 0.000 0.790 1295 L CB -0.282 41.965 42.059 0.314 0.000 0.932 1295 L HN 0.162 nan 8.230 nan 0.000 0.447 1296 E N -1.294 118.972 120.200 0.110 0.000 2.208 1296 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 1296 E C 1.762 178.381 176.600 0.032 0.000 0.988 1296 E CA 1.348 57.783 56.400 0.058 0.000 0.828 1296 E CB -0.018 29.705 29.700 0.038 0.000 0.763 1296 E HN 0.497 nan 8.360 nan 0.000 0.478 1297 T N 0.386 114.957 114.554 0.028 0.000 2.812 1297 T HA -0.101 4.249 4.350 -0.000 0.000 0.264 1297 T C 2.022 176.727 174.700 0.009 0.000 1.042 1297 T CA 1.451 63.551 62.100 0.000 0.000 1.140 1297 T CB -0.310 68.546 68.868 -0.020 0.000 0.870 1297 T HN 0.139 nan 8.240 nan 0.000 0.445 1298 T N 2.438 117.038 114.554 0.077 0.000 2.708 1298 T HA -0.026 4.324 4.350 -0.000 0.000 0.266 1298 T C 1.862 176.596 174.700 0.057 0.000 1.037 1298 T CA 0.795 62.996 62.100 0.167 0.000 1.146 1298 T CB -0.402 68.644 68.868 0.296 0.000 0.865 1298 T HN 0.051 nan 8.240 nan 0.000 0.435 1299 L N 0.981 122.236 121.223 0.053 0.000 2.056 1299 L HA 0.016 4.356 4.340 -0.000 0.000 0.207 1299 L C 2.359 179.195 176.870 -0.058 0.000 1.078 1299 L CA 1.669 56.516 54.840 0.012 0.000 0.749 1299 L CB -0.581 41.497 42.059 0.032 0.000 0.901 1299 L HN 0.181 nan 8.230 nan 0.000 0.433 1300 K N -1.503 118.857 120.400 -0.067 0.000 2.097 1300 K HA -0.158 4.162 4.320 -0.000 0.000 0.206 1300 K C 1.965 178.454 176.600 -0.186 0.000 1.049 1300 K CA 1.108 57.338 56.287 -0.095 0.000 0.933 1300 K CB -0.207 32.252 32.500 -0.069 0.000 0.717 1300 K HN 0.175 nan 8.250 nan 0.000 0.442 1301 M N 0.997 120.410 119.600 -0.312 0.000 2.267 1301 M HA -0.112 4.368 4.480 -0.000 0.000 0.263 1301 M C 0.383 176.281 176.300 -0.670 0.000 1.063 1301 M CA 1.251 56.163 55.300 -0.646 0.000 1.090 1301 M CB -0.759 31.065 32.600 -1.293 0.000 1.392 1301 M HN 0.111 nan 8.290 nan 0.000 0.422 1302 K N 0.255 120.406 120.400 -0.415 0.000 3.148 1302 K HA -0.197 4.123 4.320 -0.000 0.000 0.267 1302 K C -0.352 176.150 176.600 -0.162 0.000 0.996 1302 K CA 0.065 56.222 56.287 -0.217 0.000 0.737 1302 K CB -1.854 30.562 32.500 -0.139 0.000 1.308 1302 K HN 0.214 nan 8.250 nan 0.000 0.470 1320 G N -0.577 108.111 108.800 -0.187 0.000 2.550 1320 G HA2 0.511 4.471 3.960 -0.000 0.000 0.293 1320 G HA3 0.511 4.471 3.960 -0.000 0.000 0.293 1320 G C -1.165 173.658 174.900 -0.127 0.000 1.402 1320 G CA -0.540 44.353 45.100 -0.346 0.000 0.784 1320 G HN 0.406 nan 8.290 nan 0.000 0.482 1321 T N 0.337 114.831 114.554 -0.102 0.000 2.903 1321 T HA 0.356 4.706 4.350 -0.000 0.000 0.299 1321 T C 0.682 175.390 174.700 0.013 0.000 1.041 1321 T CA 1.014 63.182 62.100 0.114 0.000 1.138 1321 T CB 0.234 69.176 68.868 0.123 0.000 1.040 1321 T HN 1.544 nan 8.240 nan 0.000 0.524 1322 V N 0.667 120.587 119.914 0.011 0.000 3.102 1322 V HA 0.596 4.716 4.120 -0.000 0.000 0.312 1322 V C -0.423 175.636 176.094 -0.058 0.000 1.135 1322 V CA -1.398 60.875 62.300 -0.046 0.000 1.022 1322 V CB 1.962 33.741 31.823 -0.074 0.000 1.056 1322 V HN 0.590 nan 8.190 nan 0.000 0.436 1323 I N 3.605 124.136 120.570 -0.064 0.000 2.243 1323 I HA 0.214 4.384 4.170 -0.000 0.000 0.297 1323 I C 1.002 177.076 176.117 -0.071 0.000 1.161 1323 I CA 0.114 61.376 61.300 -0.063 0.000 1.298 1323 I CB -0.335 37.632 38.000 -0.054 0.000 1.475 1323 I HN 0.980 nan 8.210 nan 0.000 0.561 1324 D N 3.624 123.974 120.400 -0.083 0.000 2.234 1324 D HA -0.035 4.605 4.640 -0.000 0.000 0.205 1324 D C 1.493 177.750 176.300 -0.071 0.000 0.962 1324 D CA 1.204 55.146 54.000 -0.097 0.000 0.855 1324 D CB 0.287 41.003 40.800 -0.141 0.000 0.951 1324 D HN 0.651 nan 8.370 nan 0.000 0.500 1325 G N -0.473 108.292 108.800 -0.057 0.000 2.213 1325 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.226 1325 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.226 1325 G C 0.979 175.859 174.900 -0.034 0.000 0.992 1325 G CA 0.526 45.601 45.100 -0.042 0.000 0.632 1325 G HN 0.270 nan 8.290 nan 0.000 0.511 1326 M N -1.188 118.389 119.600 -0.038 0.000 3.101 1326 M HA 0.435 4.915 4.480 -0.000 0.000 0.236 1326 M C 2.276 178.559 176.300 -0.028 0.000 1.538 1326 M CA 0.901 56.188 55.300 -0.023 0.000 1.309 1326 M CB -1.027 31.566 32.600 -0.011 0.000 1.141 1326 M HN 0.188 nan 8.290 nan 0.000 0.579 1327 L N 0.840 122.039 121.223 -0.040 0.000 2.044 1327 L HA 0.144 4.484 4.340 -0.000 0.000 0.205 1327 L C 0.421 177.254 176.870 -0.062 0.000 1.075 1327 L CA 1.387 56.199 54.840 -0.046 0.000 0.747 1327 L CB 0.216 42.244 42.059 -0.052 0.000 0.903 1327 L HN 0.118 nan 8.230 nan 0.000 0.435 1328 L N -0.189 120.994 121.223 -0.067 0.000 2.349 1328 L HA 0.246 4.586 4.340 -0.000 0.000 0.278 1328 L C 0.317 177.155 176.870 -0.054 0.000 0.996 1328 L CA -0.399 54.401 54.840 -0.067 0.000 0.825 1328 L CB 1.946 43.956 42.059 -0.081 0.000 1.243 1328 L HN 0.093 nan 8.230 nan 0.000 0.412 1329 L N 1.696 122.892 121.223 -0.046 0.000 2.354 1329 L HA 0.218 4.558 4.340 -0.000 0.000 0.212 1329 L C 0.578 177.426 176.870 -0.037 0.000 1.091 1329 L CA 0.745 55.562 54.840 -0.038 0.000 0.828 1329 L CB -0.090 41.950 42.059 -0.032 0.000 0.973 1329 L HN 0.582 nan 8.230 nan 0.000 0.461 1330 K N -0.697 119.679 120.400 -0.039 0.000 2.499 1330 K HA 0.320 4.640 4.320 -0.000 0.000 0.277 1330 K C -0.501 176.075 176.600 -0.040 0.000 1.025 1330 K CA -0.651 55.615 56.287 -0.036 0.000 0.900 1330 K CB 1.839 34.321 32.500 -0.029 0.000 1.494 1330 K HN -0.134 nan 8.250 nan 0.000 0.442 1331 T N -1.326 113.205 114.554 -0.037 0.000 2.900 1331 T HA 0.089 4.439 4.350 -0.000 0.000 0.307 1331 T C -1.855 172.820 174.700 -0.041 0.000 1.065 1331 T CA -1.075 61.000 62.100 -0.042 0.000 1.105 1331 T CB 0.428 69.274 68.868 -0.037 0.000 0.979 1331 T HN 0.180 nan 8.240 nan 0.000 0.544 1332 P HA -0.097 nan 4.420 nan 0.000 0.217 1332 P C 1.180 178.462 177.300 -0.030 0.000 1.148 1332 P CA 1.137 64.210 63.100 -0.045 0.000 0.828 1332 P CB 0.122 31.789 31.700 -0.056 0.000 0.783 1333 E N -0.090 120.093 120.200 -0.029 0.000 2.015 1333 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 1333 E C 2.051 178.643 176.600 -0.014 0.000 0.991 1333 E CA 1.139 57.528 56.400 -0.019 0.000 0.802 1333 E CB -0.819 28.869 29.700 -0.020 0.000 0.759 1333 E HN 0.359 nan 8.360 nan 0.000 0.447 1334 E N 0.504 120.693 120.200 -0.018 0.000 2.097 1334 E HA -0.209 4.141 4.350 -0.000 0.000 0.196 1334 E C 2.115 178.706 176.600 -0.015 0.000 1.000 1334 E CA 0.953 57.343 56.400 -0.016 0.000 0.804 1334 E CB -0.227 29.461 29.700 -0.019 0.000 0.740 1334 E HN 0.204 nan 8.360 nan 0.000 0.454 1335 L N 0.613 121.824 121.223 -0.019 0.000 2.191 1335 L HA -0.208 4.132 4.340 -0.000 0.000 0.212 1335 L C 2.241 179.106 176.870 -0.009 0.000 1.103 1335 L CA 1.087 55.916 54.840 -0.018 0.000 0.769 1335 L CB -0.197 41.847 42.059 -0.025 0.000 0.908 1335 L HN 0.170 nan 8.230 nan 0.000 0.438 1336 Q N -1.003 118.795 119.800 -0.003 0.000 2.425 1336 Q HA 0.054 4.394 4.340 -0.000 0.000 0.204 1336 Q C 2.169 178.174 176.000 0.007 0.000 0.933 1336 Q CA 0.578 56.386 55.803 0.009 0.000 0.939 1336 Q CB 0.283 29.032 28.738 0.018 0.000 1.044 1336 Q HN 0.496 nan 8.270 nan 0.000 0.513 1337 A N 1.332 124.153 122.820 0.000 0.000 1.854 1337 A HA -0.072 4.248 4.320 -0.000 0.000 0.214 1337 A C 0.872 178.454 177.584 -0.003 0.000 1.192 1337 A CA 0.687 52.724 52.037 0.000 0.000 0.611 1337 A CB 0.022 19.020 19.000 -0.003 0.000 0.832 1337 A HN 0.225 nan 8.150 nan 0.000 0.442 1338 E N -0.026 120.170 120.200 -0.007 0.000 2.349 1338 E HA 0.325 4.675 4.350 -0.000 0.000 0.262 1338 E C -0.120 176.473 176.600 -0.012 0.000 1.088 1338 E CA -0.760 55.633 56.400 -0.011 0.000 0.899 1338 E CB 0.586 30.278 29.700 -0.014 0.000 1.044 1338 E HN 0.215 nan 8.360 nan 0.000 0.420 1344 V N -1.400 118.613 119.914 0.165 0.000 2.769 1344 V HA 0.906 5.026 4.120 -0.000 0.000 0.312 1344 V C -2.853 173.443 176.094 0.336 0.000 1.058 1344 V CA -3.234 59.169 62.300 0.171 0.000 0.952 1344 V CB 1.450 33.343 31.823 0.117 0.000 1.019 1344 V HN 0.310 nan 8.190 nan 0.000 0.445 1345 P HA 0.088 nan 4.420 nan 0.000 0.266 1345 P C -1.550 176.071 177.300 0.535 0.000 1.186 1345 P CA 0.733 64.049 63.100 0.360 0.000 0.767 1345 P CB -0.030 31.720 31.700 0.082 0.000 0.820 1346 Y N 2.878 123.383 120.300 0.343 0.000 2.401 1346 Y HA 0.437 4.987 4.550 -0.000 0.000 0.330 1346 Y C -1.023 174.865 175.900 -0.019 0.000 1.071 1346 Y CA -1.150 56.974 58.100 0.039 0.000 1.049 1346 Y CB 1.294 39.433 38.460 -0.535 0.000 1.239 1346 Y HN 0.266 nan 8.280 nan 0.000 0.437 1347 M N 6.347 125.722 119.600 -0.375 0.000 2.157 1347 M HA 0.553 5.033 4.480 -0.000 0.000 0.354 1347 M C -1.356 174.622 176.300 -0.536 0.000 1.170 1347 M CA -0.796 54.182 55.300 -0.537 0.000 1.060 1347 M CB 0.936 33.060 32.600 -0.793 0.000 1.615 1347 M HN 0.415 nan 8.290 nan 0.000 0.460 1348 V N 3.310 122.953 119.914 -0.450 0.000 2.483 1348 V HA 0.828 4.948 4.120 -0.000 0.000 0.297 1348 V C 0.133 175.937 176.094 -0.484 0.000 1.027 1348 V CA -0.658 61.362 62.300 -0.466 0.000 0.855 1348 V CB 1.655 33.166 31.823 -0.520 0.000 0.995 1348 V HN 1.009 nan 8.190 nan 0.000 0.424 1349 G N 3.893 112.282 108.800 -0.685 0.000 2.642 1349 G HA2 0.898 4.858 3.960 -0.000 0.000 0.293 1349 G HA3 0.898 4.858 3.960 -0.000 0.000 0.293 1349 G C -1.178 173.300 174.900 -0.703 0.000 1.341 1349 G CA -0.668 43.645 45.100 -1.312 0.000 0.916 1349 G HN 0.922 nan 8.290 nan 0.000 0.474 1350 I N -2.225 118.047 120.570 -0.495 0.000 3.239 1350 I HA 0.690 4.860 4.170 -0.000 0.000 0.314 1350 I C -1.299 174.820 176.117 0.002 0.000 1.126 1350 I CA -1.429 59.771 61.300 -0.165 0.000 0.973 1350 I CB 2.550 40.496 38.000 -0.090 0.000 1.252 1350 I HN 0.236 nan 8.210 nan 0.000 0.463 1351 N N 1.678 120.401 118.700 0.038 0.000 2.370 1351 N HA 0.273 5.013 4.740 -0.000 0.000 0.303 1351 N C 0.203 175.784 175.510 0.118 0.000 1.103 1351 N CA -0.685 52.461 53.050 0.161 0.000 0.848 1351 N CB 2.029 40.611 38.487 0.158 0.000 1.235 1351 N HN 0.616 nan 8.380 nan 0.000 0.496 1352 K N 1.095 121.583 120.400 0.148 0.000 2.032 1352 K HA -0.189 4.131 4.320 -0.000 0.000 0.218 1352 K C -0.059 176.603 176.600 0.104 0.000 1.054 1352 K CA 1.927 58.279 56.287 0.109 0.000 0.941 1352 K CB -0.016 32.541 32.500 0.094 0.000 0.720 1352 K HN 0.593 nan 8.250 nan 0.000 0.449 1353 Q N 0.293 120.163 119.800 0.116 0.000 2.571 1353 Q HA 0.107 4.447 4.340 -0.000 0.000 0.243 1353 Q C -0.064 176.009 176.000 0.121 0.000 1.055 1353 Q CA -0.393 55.482 55.803 0.121 0.000 0.815 1353 Q CB 1.585 30.397 28.738 0.125 0.000 1.151 1353 Q HN 0.179 nan 8.270 nan 0.000 0.519 1354 E N 0.712 120.967 120.200 0.091 0.000 2.106 1354 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 1354 E C 0.353 177.022 176.600 0.115 0.000 0.984 1354 E CA 1.154 57.566 56.400 0.021 0.000 0.806 1354 E CB 0.198 29.784 29.700 -0.190 0.000 0.750 1354 E HN 0.503 nan 8.360 nan 0.000 0.458 1355 F N 0.406 120.349 119.950 -0.012 0.000 2.730 1355 F HA 0.229 4.756 4.527 -0.000 0.000 0.295 1355 F C 1.719 177.510 175.800 -0.015 0.000 1.143 1355 F CA -0.306 57.660 58.000 -0.056 0.000 1.367 1355 F CB 0.502 39.416 39.000 -0.144 0.000 0.970 1355 F HN -0.036 nan 8.300 nan 0.000 0.514 1356 G N -0.215 108.653 108.800 0.114 0.000 2.408 1356 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 1356 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 1356 G C 1.053 176.090 174.900 0.228 0.000 1.150 1356 G CA 1.247 46.442 45.100 0.158 0.000 0.776 1356 G HN 0.609 nan 8.290 nan 0.000 0.542 1357 W N -1.748 119.511 121.300 -0.068 0.000 5.420 1357 W HA 0.232 4.892 4.660 0.000 0.000 0.158 1357 W C 1.655 178.115 176.519 -0.098 0.000 1.406 1357 W CA 0.141 57.450 57.345 -0.061 0.000 1.857 1357 W CB -0.654 28.806 29.460 -0.000 0.000 0.541 1357 W HN 0.002 nan 8.180 nan 0.000 1.113 1358 L N 2.035 123.203 121.223 -0.091 0.000 1.978 1358 L HA -0.166 4.174 4.340 -0.000 0.000 0.218 1358 L C 2.035 178.673 176.870 -0.387 0.000 1.075 1358 L CA 2.858 57.536 54.840 -0.270 0.000 0.767 1358 L CB -1.152 40.963 42.059 0.093 0.000 0.890 1358 L HN 0.200 nan 8.230 nan 0.000 0.434 1359 I N -0.216 120.103 120.570 -0.419 0.000 2.162 1359 I HA -0.147 4.023 4.170 -0.000 0.000 0.238 1359 I C -0.283 175.482 176.117 -0.587 0.000 1.076 1359 I CA 1.340 62.323 61.300 -0.528 0.000 1.353 1359 I CB -1.865 35.689 38.000 -0.743 0.000 1.063 1359 I HN 0.285 nan 8.210 nan 0.000 0.408 1360 P HA -0.223 nan 4.420 nan 0.000 0.216 1360 P C 1.145 178.310 177.300 -0.224 0.000 1.154 1360 P CA 1.533 64.319 63.100 -0.524 0.000 0.865 1360 P CB -0.052 31.341 31.700 -0.512 0.000 0.789 1364 M N 0.661 120.232 119.600 -0.048 0.000 2.700 1364 M HA 0.014 4.494 4.480 -0.000 0.000 0.249 1364 M C 0.351 176.685 176.300 0.057 0.000 1.082 1364 M CA 0.741 56.066 55.300 0.041 0.000 1.077 1364 M CB -0.142 32.535 32.600 0.128 0.000 1.477 1364 M HN 0.344 nan 8.290 nan 0.000 0.529 1365 S N -0.403 115.315 115.700 0.030 0.000 3.858 1365 S HA -0.180 4.290 4.470 -0.000 0.000 0.356 1365 S C -0.282 174.366 174.600 0.080 0.000 1.013 1365 S CA 0.071 58.292 58.200 0.034 0.000 1.083 1365 S CB -2.211 60.996 63.200 0.012 0.000 0.883 1365 S HN 0.539 nan 8.310 nan 0.000 0.475 1366 Y N 2.108 122.413 120.300 0.007 0.000 2.597 1366 Y HA 0.292 4.842 4.550 0.000 0.000 0.336 1366 Y C -1.805 174.142 175.900 0.077 0.000 1.216 1366 Y CA -0.959 57.182 58.100 0.070 0.000 1.463 1366 Y CB 0.441 38.964 38.460 0.106 0.000 1.303 1366 Y HN 0.079 nan 8.280 nan 0.000 0.576 1367 P HA 0.254 nan 4.420 nan 0.000 0.252 1367 P C -1.021 176.359 177.300 0.134 0.000 1.727 1367 P CA 0.493 63.586 63.100 -0.012 0.000 1.134 1367 P CB -0.038 31.594 31.700 -0.113 0.000 1.876 1376 K N 0.014 120.413 120.400 -0.003 0.000 2.009 1376 K HA -0.065 4.255 4.320 -0.000 0.000 0.210 1376 K C 1.628 178.214 176.600 -0.024 0.000 1.049 1376 K CA 1.930 58.212 56.287 -0.008 0.000 0.929 1376 K CB -0.321 32.176 32.500 -0.004 0.000 0.714 1376 K HN 0.213 nan 8.250 nan 0.000 0.440 1377 T N 1.245 115.777 114.554 -0.036 0.000 2.699 1377 T HA -0.211 4.139 4.350 -0.000 0.000 0.268 1377 T C 1.940 176.563 174.700 -0.129 0.000 1.036 1377 T CA 1.445 63.509 62.100 -0.060 0.000 1.147 1377 T CB -0.395 68.441 68.868 -0.053 0.000 0.862 1377 T HN 0.387 nan 8.240 nan 0.000 0.446 1378 A N 1.815 124.524 122.820 -0.185 0.000 1.869 1378 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 1378 A C 2.338 179.798 177.584 -0.207 0.000 1.203 1378 A CA 2.305 54.123 52.037 -0.365 0.000 0.638 1378 A CB -0.895 17.979 19.000 -0.210 0.000 0.831 1378 A HN 0.523 nan 8.150 nan 0.000 0.450 1379 M N -0.252 119.324 119.600 -0.039 0.000 2.149 1379 M HA -0.164 4.316 4.480 -0.000 0.000 0.261 1379 M C 2.415 178.773 176.300 0.097 0.000 1.064 1379 M CA 1.717 57.053 55.300 0.060 0.000 1.102 1379 M CB -0.558 32.073 32.600 0.051 0.000 1.369 1379 M HN 0.483 nan 8.290 nan 0.000 0.408 1380 S N 1.103 116.826 115.700 0.038 0.000 2.354 1380 S HA -0.126 4.344 4.470 -0.000 0.000 0.219 1380 S C 1.880 176.550 174.600 0.117 0.000 1.035 1380 S CA 1.241 59.489 58.200 0.080 0.000 1.037 1380 S CB -0.553 62.661 63.200 0.023 0.000 0.956 1380 S HN 0.401 nan 8.310 nan 0.000 0.428 1381 L N 0.711 121.938 121.223 0.006 0.000 2.012 1381 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 1381 L C 2.478 179.462 176.870 0.191 0.000 1.073 1381 L CA 0.963 55.820 54.840 0.028 0.000 0.748 1381 L CB -0.543 41.464 42.059 -0.087 0.000 0.891 1381 L HN 0.265 nan 8.230 nan 0.000 0.431 1382 L N -0.140 121.216 121.223 0.222 0.000 1.978 1382 L HA -0.337 4.003 4.340 -0.000 0.000 0.218 1382 L C 2.279 179.349 176.870 0.334 0.000 1.075 1382 L CA 2.151 57.233 54.840 0.403 0.000 0.767 1382 L CB -1.017 41.278 42.059 0.393 0.000 0.890 1382 L HN 0.424 nan 8.230 nan 0.000 0.434 1383 W N 0.392 121.784 121.300 0.153 0.000 2.338 1383 W HA -0.256 4.404 4.660 -0.000 0.000 0.304 1383 W C 2.126 178.739 176.519 0.157 0.000 1.212 1383 W CA 1.573 59.012 57.345 0.155 0.000 1.264 1383 W CB -0.096 29.416 29.460 0.087 0.000 1.142 1383 W HN 0.129 nan 8.180 nan 0.000 0.512 1384 K N 0.594 121.014 120.400 0.035 0.000 2.360 1384 K HA -0.074 4.246 4.320 -0.000 0.000 0.201 1384 K C 1.666 178.224 176.600 -0.071 0.000 1.046 1384 K CA 1.160 57.398 56.287 -0.081 0.000 0.945 1384 K CB -0.463 32.035 32.500 -0.002 0.000 0.750 1384 K HN 0.060 nan 8.250 nan 0.000 0.464 1385 S N 0.407 116.121 115.700 0.023 0.000 2.634 1385 S HA 0.010 4.480 4.470 -0.000 0.000 0.221 1385 S C 1.147 175.728 174.600 -0.031 0.000 0.952 1385 S CA -0.419 57.818 58.200 0.061 0.000 0.930 1385 S CB -0.238 63.082 63.200 0.199 0.000 0.780 1385 S HN 0.276 nan 8.310 nan 0.000 0.498 1386 Y N 3.472 123.626 120.300 -0.243 0.000 2.139 1386 Y HA -0.139 4.411 4.550 -0.000 0.000 0.282 1386 Y C -1.222 174.562 175.900 -0.193 0.000 1.179 1386 Y CA 1.534 59.452 58.100 -0.303 0.000 1.161 1386 Y CB -1.111 36.975 38.460 -0.623 0.000 0.970 1386 Y HN 0.221 nan 8.280 nan 0.000 0.511 1387 P HA -0.074 nan 4.420 nan 0.000 0.234 1387 P C 0.786 178.004 177.300 -0.135 0.000 1.167 1387 P CA 1.521 64.571 63.100 -0.084 0.000 0.763 1387 P CB -0.052 31.648 31.700 -0.001 0.000 0.835 1388 L N -2.452 118.675 121.223 -0.160 0.000 2.749 1388 L HA 0.124 4.464 4.340 -0.000 0.000 0.242 1388 L C 1.705 178.415 176.870 -0.267 0.000 1.103 1388 L CA 0.288 55.031 54.840 -0.162 0.000 0.906 1388 L CB 0.208 42.230 42.059 -0.062 0.000 1.228 1388 L HN -0.155 nan 8.230 nan 0.000 0.517 1389 V N -6.318 113.406 119.914 -0.316 0.000 3.497 1389 V HA 0.132 4.252 4.120 -0.000 0.000 0.272 1389 V C 1.110 176.963 176.094 -0.403 0.000 1.474 1389 V CA -0.361 61.735 62.300 -0.339 0.000 1.025 1389 V CB 0.006 31.670 31.823 -0.265 0.000 0.820 1389 V HN 0.347 nan 8.190 nan 0.000 0.437 1390 C N 2.029 120.906 119.300 -0.705 0.000 3.886 1390 C HA -0.185 4.275 4.460 -0.000 0.000 0.295 1390 C C 0.665 175.352 174.990 -0.505 0.000 1.411 1390 C CA 0.091 58.403 59.018 -1.177 0.000 2.059 1390 C CB -3.196 24.141 27.740 -0.672 0.000 1.329 1390 C HN 0.647 nan 8.230 nan 0.000 0.670 1391 I N 1.002 121.463 120.570 -0.181 0.000 2.365 1391 I HA 0.472 4.642 4.170 -0.000 0.000 0.291 1391 I C 1.060 177.464 176.117 0.480 0.000 1.004 1391 I CA 0.010 61.420 61.300 0.184 0.000 1.311 1391 I CB 1.121 39.263 38.000 0.236 0.000 1.401 1391 I HN 0.512 nan 8.210 nan 0.000 0.491 1392 A N 6.083 129.138 122.820 0.392 0.000 2.511 1392 A HA 0.032 4.352 4.320 -0.000 0.000 0.242 1392 A C 1.475 179.283 177.584 0.373 0.000 1.069 1392 A CA -0.085 52.193 52.037 0.401 0.000 0.763 1392 A CB 0.178 19.311 19.000 0.223 0.000 1.001 1392 A HN 0.949 nan 8.150 nan 0.000 0.498 1393 K N 1.378 121.967 120.400 0.316 0.000 2.113 1393 K HA -0.221 4.099 4.320 -0.000 0.000 0.208 1393 K C 1.502 178.079 176.600 -0.038 0.000 1.047 1393 K CA 2.274 58.518 56.287 -0.071 0.000 0.928 1393 K CB -0.077 31.985 32.500 -0.731 0.000 0.716 1393 K HN 0.874 nan 8.250 nan 0.000 0.446 1394 E N 0.383 120.583 120.200 -0.001 0.000 2.072 1394 E HA -0.153 4.197 4.350 -0.000 0.000 0.191 1394 E C 2.083 178.707 176.600 0.041 0.000 0.985 1394 E CA 1.139 57.540 56.400 0.001 0.000 0.801 1394 E CB -0.040 29.662 29.700 0.003 0.000 0.750 1394 E HN 0.315 nan 8.360 nan 0.000 0.452 1395 L N 1.030 122.302 121.223 0.081 0.000 2.046 1395 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 1395 L C 2.371 179.313 176.870 0.119 0.000 1.077 1395 L CA 0.451 55.342 54.840 0.085 0.000 0.747 1395 L CB -0.670 41.450 42.059 0.102 0.000 0.896 1395 L HN 0.170 nan 8.230 nan 0.000 0.432 1396 I N 0.285 120.957 120.570 0.170 0.000 2.203 1396 I HA -0.312 3.858 4.170 -0.000 0.000 0.237 1396 I C 0.156 176.369 176.117 0.160 0.000 0.993 1396 I CA 2.476 63.896 61.300 0.201 0.000 1.277 1396 I CB -2.897 35.230 38.000 0.210 0.000 0.984 1396 I HN 0.284 nan 8.210 nan 0.000 0.402 1397 P HA -0.195 nan 4.420 nan 0.000 0.215 1397 P C 1.589 178.952 177.300 0.106 0.000 1.163 1397 P CA 1.832 64.983 63.100 0.086 0.000 0.894 1397 P CB -0.217 31.512 31.700 0.048 0.000 0.791 1398 E N -0.214 120.049 120.200 0.104 0.000 2.049 1398 E HA -0.202 4.148 4.350 -0.000 0.000 0.198 1398 E C 2.245 178.968 176.600 0.205 0.000 1.007 1398 E CA 1.588 58.064 56.400 0.128 0.000 0.809 1398 E CB -0.684 29.077 29.700 0.101 0.000 0.749 1398 E HN 0.231 nan 8.360 nan 0.000 0.450 1399 A N 1.216 124.180 122.820 0.240 0.000 1.841 1399 A HA -0.208 4.112 4.320 -0.000 0.000 0.214 1399 A C 2.527 180.297 177.584 0.309 0.000 1.195 1399 A CA 2.450 54.683 52.037 0.327 0.000 0.611 1399 A CB -1.381 17.826 19.000 0.344 0.000 0.835 1399 A HN 0.433 nan 8.150 nan 0.000 0.443 1400 T N -1.586 113.124 114.554 0.261 0.000 2.737 1400 T HA -0.255 4.095 4.350 -0.000 0.000 0.269 1400 T C 1.684 176.502 174.700 0.196 0.000 1.040 1400 T CA 2.007 64.249 62.100 0.236 0.000 1.142 1400 T CB -0.363 68.602 68.868 0.161 0.000 0.861 1400 T HN 0.486 nan 8.240 nan 0.000 0.456 1401 E N 1.895 122.184 120.200 0.149 0.000 2.028 1401 E HA -0.074 4.276 4.350 -0.000 0.000 0.191 1401 E C 2.200 178.843 176.600 0.073 0.000 0.988 1401 E CA 1.523 57.981 56.400 0.097 0.000 0.799 1401 E CB -0.564 29.179 29.700 0.071 0.000 0.755 1401 E HN 0.478 nan 8.360 nan 0.000 0.447 1402 K N -0.941 119.488 120.400 0.048 0.000 2.218 1402 K HA -0.167 4.153 4.320 -0.000 0.000 0.205 1402 K C 1.428 177.950 176.600 -0.129 0.000 1.046 1402 K CA 1.501 57.708 56.287 -0.134 0.000 0.933 1402 K CB -0.455 31.783 32.500 -0.437 0.000 0.728 1402 K HN 0.303 nan 8.250 nan 0.000 0.454 1403 Y N -1.187 119.087 120.300 -0.044 0.000 2.462 1403 Y HA 0.272 4.822 4.550 0.000 0.000 0.253 1403 Y C 1.076 177.009 175.900 0.056 0.000 1.095 1403 Y CA 0.186 58.298 58.100 0.020 0.000 1.283 1403 Y CB 0.722 39.252 38.460 0.117 0.000 1.138 1403 Y HN -0.088 nan 8.280 nan 0.000 0.522 1404 L N -1.686 119.654 121.223 0.195 0.000 2.858 1404 L HA 0.392 4.732 4.340 -0.000 0.000 0.251 1404 L C 1.368 178.285 176.870 0.077 0.000 1.149 1404 L CA -0.096 54.828 54.840 0.140 0.000 0.955 1404 L CB -0.124 42.025 42.059 0.150 0.000 1.289 1404 L HN 0.048 nan 8.230 nan 0.000 0.542 1412 K N 1.265 121.711 120.400 0.078 0.000 2.009 1412 K HA -0.187 4.133 4.320 -0.000 0.000 0.210 1412 K C 1.966 178.633 176.600 0.111 0.000 1.049 1412 K CA 2.215 58.553 56.287 0.085 0.000 0.929 1412 K CB -0.136 32.404 32.500 0.068 0.000 0.714 1412 K HN 0.448 nan 8.250 nan 0.000 0.440 1413 K N 0.701 121.165 120.400 0.106 0.000 2.173 1413 K HA -0.237 4.083 4.320 -0.000 0.000 0.207 1413 K C 2.155 178.862 176.600 0.177 0.000 1.046 1413 K CA 1.787 58.152 56.287 0.131 0.000 0.929 1413 K CB -0.112 32.449 32.500 0.101 0.000 0.720 1413 K HN 0.191 nan 8.250 nan 0.000 0.453 1414 K N 1.046 121.545 120.400 0.165 0.000 2.057 1414 K HA -0.165 4.155 4.320 -0.000 0.000 0.206 1414 K C 1.355 178.102 176.600 0.246 0.000 1.050 1414 K CA 1.718 58.133 56.287 0.215 0.000 0.935 1414 K CB 0.112 32.718 32.500 0.177 0.000 0.715 1414 K HN 0.081 nan 8.250 nan 0.000 0.439 1415 D N 0.898 121.410 120.400 0.187 0.000 2.178 1415 D HA -0.138 4.502 4.640 -0.000 0.000 0.202 1415 D C 1.942 178.354 176.300 0.186 0.000 0.974 1415 D CA 0.913 55.015 54.000 0.170 0.000 0.841 1415 D CB 0.000 40.880 40.800 0.133 0.000 0.953 1415 D HN 0.269 nan 8.370 nan 0.000 0.478 1416 L N -0.166 121.185 121.223 0.214 0.000 2.201 1416 L HA -0.107 4.233 4.340 -0.000 0.000 0.212 1416 L C 2.218 179.268 176.870 0.299 0.000 1.105 1416 L CA 0.413 55.415 54.840 0.269 0.000 0.775 1416 L CB -0.258 41.955 42.059 0.256 0.000 0.913 1416 L HN -0.045 nan 8.230 nan 0.000 0.440 1417 F N 0.335 120.357 119.950 0.120 0.000 2.293 1417 F HA -0.061 4.466 4.527 -0.000 0.000 0.297 1417 F C 2.003 177.799 175.800 -0.007 0.000 1.089 1417 F CA 1.118 59.151 58.000 0.055 0.000 1.377 1417 F CB -0.106 38.948 39.000 0.089 0.000 1.051 1417 F HN -0.131 nan 8.300 nan 0.000 0.511 1418 L N -0.157 121.023 121.223 -0.072 0.000 2.201 1418 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 1418 L C 1.897 178.688 176.870 -0.130 0.000 1.105 1418 L CA 1.090 55.846 54.840 -0.139 0.000 0.775 1418 L CB -0.666 41.452 42.059 0.097 0.000 0.913 1418 L HN 0.070 nan 8.230 nan 0.000 0.440 1419 D N -0.148 120.238 120.400 -0.022 0.000 2.194 1419 D HA -0.116 4.524 4.640 -0.000 0.000 0.204 1419 D C 2.029 178.265 176.300 -0.107 0.000 0.964 1419 D CA 0.739 54.777 54.000 0.063 0.000 0.846 1419 D CB 0.174 41.127 40.800 0.256 0.000 0.962 1419 D HN 0.146 nan 8.370 nan 0.000 0.490 1420 L N 1.420 122.382 121.223 -0.434 0.000 1.943 1420 L HA -0.179 4.161 4.340 -0.000 0.000 0.215 1420 L C 2.130 178.617 176.870 -0.637 0.000 1.074 1420 L CA 1.497 55.820 54.840 -0.862 0.000 0.759 1420 L CB -0.784 40.823 42.059 -0.752 0.000 0.888 1420 L HN -0.087 nan 8.230 nan 0.000 0.433 1421 I N 0.394 120.500 120.570 -0.774 0.000 2.181 1421 I HA -0.378 3.792 4.170 -0.000 0.000 0.247 1421 I C 2.709 178.454 176.117 -0.620 0.000 1.081 1421 I CA 1.729 62.503 61.300 -0.876 0.000 1.340 1421 I CB -2.092 35.015 38.000 -1.488 0.000 1.036 1421 I HN 0.480 nan 8.210 nan 0.000 0.417 1422 A N 0.877 123.480 122.820 -0.361 0.000 1.851 1422 A HA -0.252 4.068 4.320 -0.000 0.000 0.216 1422 A C 2.036 179.609 177.584 -0.020 0.000 1.195 1422 A CA 2.321 54.352 52.037 -0.010 0.000 0.622 1422 A CB -0.869 18.180 19.000 0.081 0.000 0.831 1422 A HN 0.372 nan 8.150 nan 0.000 0.444 1423 D N -0.515 119.814 120.400 -0.118 0.000 2.123 1423 D HA -0.105 4.535 4.640 -0.000 0.000 0.196 1423 D C 1.959 178.014 176.300 -0.408 0.000 0.992 1423 D CA 1.416 55.329 54.000 -0.146 0.000 0.833 1423 D CB -0.393 40.414 40.800 0.012 0.000 0.954 1423 D HN 0.210 nan 8.370 nan 0.000 0.455 1424 V N 0.367 119.877 119.914 -0.674 0.000 2.427 1424 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 1424 V C 2.323 178.096 176.094 -0.536 0.000 1.051 1424 V CA 1.297 63.125 62.300 -0.786 0.000 1.048 1424 V CB -0.323 30.969 31.823 -0.885 0.000 0.666 1424 V HN 0.244 nan 8.190 nan 0.000 0.456 1425 M N -1.762 117.529 119.600 -0.514 0.000 2.236 1425 M HA 0.038 4.518 4.480 -0.000 0.000 0.266 1425 M C 1.764 177.520 176.300 -0.907 0.000 1.070 1425 M CA 2.012 56.879 55.300 -0.722 0.000 1.137 1425 M CB -0.034 32.053 32.600 -0.855 0.000 1.378 1425 M HN 0.389 nan 8.290 nan 0.000 0.426 1426 F N -2.066 117.805 119.950 -0.132 0.000 2.421 1426 F HA 0.355 4.882 4.527 -0.000 0.000 0.270 1426 F C 2.297 178.034 175.800 -0.105 0.000 0.894 1426 F CA 0.137 58.086 58.000 -0.085 0.000 1.128 1426 F CB -1.371 37.619 39.000 -0.017 0.000 1.011 1426 F HN 0.023 nan 8.300 nan 0.000 0.788 1427 G N 1.523 110.397 108.800 0.123 0.000 2.721 1427 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.218 1427 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.218 1427 G C 1.688 176.575 174.900 -0.020 0.000 1.265 1427 G CA 2.330 47.448 45.100 0.030 0.000 0.796 1427 G HN 0.168 nan 8.290 nan 0.000 0.620 1428 V N 2.431 122.314 119.914 -0.052 0.000 2.287 1428 V HA -0.134 3.986 4.120 -0.000 0.000 0.248 1428 V C 0.449 176.514 176.094 -0.048 0.000 1.053 1428 V CA 2.371 64.653 62.300 -0.029 0.000 1.027 1428 V CB -1.418 30.369 31.823 -0.060 0.000 0.646 1428 V HN 0.282 nan 8.190 nan 0.000 0.447 1429 P HA -0.127 nan 4.420 nan 0.000 0.214 1429 P C 2.117 179.377 177.300 -0.067 0.000 1.163 1429 P CA 2.006 65.053 63.100 -0.089 0.000 0.889 1429 P CB -0.182 31.435 31.700 -0.138 0.000 0.790 1430 S N -0.494 115.164 115.700 -0.069 0.000 2.365 1430 S HA -0.134 4.336 4.470 -0.000 0.000 0.225 1430 S C 2.086 176.604 174.600 -0.137 0.000 1.039 1430 S CA 1.566 59.706 58.200 -0.101 0.000 1.033 1430 S CB -1.286 61.845 63.200 -0.114 0.000 0.887 1430 S HN -0.050 nan 8.310 nan 0.000 0.447 1431 V N 2.013 121.855 119.914 -0.120 0.000 2.307 1431 V HA -0.136 3.984 4.120 -0.000 0.000 0.245 1431 V C 2.053 178.126 176.094 -0.035 0.000 1.045 1431 V CA 1.477 63.704 62.300 -0.120 0.000 1.024 1431 V CB -0.683 31.113 31.823 -0.045 0.000 0.651 1431 V HN 0.458 nan 8.190 nan 0.000 0.449 1432 I N -0.335 120.234 120.570 -0.002 0.000 2.315 1432 I HA -0.237 3.933 4.170 -0.000 0.000 0.251 1432 I C 2.294 178.428 176.117 0.028 0.000 1.125 1432 I CA 1.170 62.488 61.300 0.029 0.000 1.392 1432 I CB -0.408 37.604 38.000 0.020 0.000 1.065 1432 I HN 0.175 nan 8.210 nan 0.000 0.424 1433 V N 0.849 120.763 119.914 -0.001 0.000 2.255 1433 V HA -0.227 3.893 4.120 -0.000 0.000 0.243 1433 V C 2.746 178.871 176.094 0.051 0.000 1.038 1433 V CA 1.874 64.189 62.300 0.025 0.000 1.008 1433 V CB -0.955 30.871 31.823 0.005 0.000 0.645 1433 V HN 0.475 nan 8.190 nan 0.000 0.449 1434 A N -0.052 122.733 122.820 -0.058 0.000 1.958 1434 A HA -0.310 4.010 4.320 -0.000 0.000 0.221 1434 A C 2.333 179.977 177.584 0.100 0.000 1.178 1434 A CA 2.336 54.305 52.037 -0.112 0.000 0.642 1434 A CB -0.578 18.115 19.000 -0.512 0.000 0.816 1434 A HN 0.543 nan 8.150 nan 0.000 0.453 1435 R N -0.660 119.931 120.500 0.151 0.000 2.066 1435 R HA -0.105 4.235 4.340 -0.000 0.000 0.232 1435 R C 2.130 178.530 176.300 0.166 0.000 1.131 1435 R CA 1.637 57.887 56.100 0.250 0.000 0.955 1435 R CB -0.487 29.936 30.300 0.206 0.000 0.851 1435 R HN 0.729 nan 8.270 nan 0.000 0.432 1436 N N -0.448 118.330 118.700 0.129 0.000 2.084 1436 N HA -0.218 4.522 4.740 -0.000 0.000 0.190 1436 N C 1.813 177.391 175.510 0.115 0.000 1.030 1436 N CA 1.167 54.277 53.050 0.100 0.000 0.849 1436 N CB -0.205 38.332 38.487 0.084 0.000 1.012 1436 N HN 0.261 nan 8.380 nan 0.000 0.423 1437 H N 1.407 120.525 119.070 0.080 0.000 2.352 1437 H HA -0.048 4.508 4.556 -0.000 0.000 0.299 1437 H C 2.256 177.637 175.328 0.088 0.000 1.097 1437 H CA 1.601 57.705 56.048 0.094 0.000 1.311 1437 H CB 0.055 29.915 29.762 0.164 0.000 1.377 1437 H HN 0.041 nan 8.280 nan 0.000 0.504 1438 R N 0.228 120.837 120.500 0.181 0.000 2.081 1438 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 1438 R C 1.097 177.417 176.300 0.034 0.000 1.131 1438 R CA 2.023 58.197 56.100 0.122 0.000 0.960 1438 R CB -0.124 30.303 30.300 0.211 0.000 0.856 1438 R HN 0.367 nan 8.270 nan 0.000 0.436 1439 D N 0.140 120.565 120.400 0.042 0.000 2.269 1439 D HA -0.027 4.613 4.640 -0.000 0.000 0.208 1439 D C 1.352 177.640 176.300 -0.021 0.000 0.963 1439 D CA 1.102 55.110 54.000 0.013 0.000 0.864 1439 D CB 0.101 40.918 40.800 0.029 0.000 0.936 1439 D HN 0.393 nan 8.370 nan 0.000 0.505 1440 A N -0.395 122.392 122.820 -0.055 0.000 2.206 1440 A HA 0.398 4.718 4.320 -0.000 0.000 0.211 1440 A C 1.752 179.279 177.584 -0.096 0.000 1.158 1440 A CA 1.114 53.102 52.037 -0.081 0.000 0.761 1440 A CB -0.087 18.841 19.000 -0.118 0.000 0.801 1440 A HN 0.245 nan 8.150 nan 0.000 0.473 1441 G N -2.746 105.998 108.800 -0.093 0.000 2.148 1441 G HA2 0.223 4.183 3.960 -0.000 0.000 0.203 1441 G HA3 0.223 4.183 3.960 -0.000 0.000 0.203 1441 G C 0.191 175.040 174.900 -0.085 0.000 0.993 1441 G CA 0.113 45.169 45.100 -0.073 0.000 0.661 1441 G HN 1.518 nan 8.290 nan 0.000 0.518 1442 A N 0.037 122.766 122.820 -0.152 0.000 2.330 1442 A HA 0.923 5.243 4.320 -0.000 0.000 0.329 1442 A C -2.443 175.160 177.584 0.032 0.000 1.135 1442 A CA -1.713 50.266 52.037 -0.097 0.000 0.817 1442 A CB 1.360 20.231 19.000 -0.215 0.000 1.269 1442 A HN 0.032 nan 8.150 nan 0.000 0.469 1443 P HA 0.189 nan 4.420 nan 0.000 0.264 1443 P C -0.451 176.974 177.300 0.208 0.000 1.183 1443 P CA 0.822 63.993 63.100 0.118 0.000 0.763 1443 P CB 0.548 32.368 31.700 0.201 0.000 0.807 1444 T N 3.157 117.694 114.554 -0.028 0.000 2.952 1444 T HA 0.501 4.851 4.350 -0.000 0.000 0.305 1444 T C -1.188 173.320 174.700 -0.320 0.000 1.064 1444 T CA -0.204 61.912 62.100 0.027 0.000 1.008 1444 T CB 0.722 69.704 68.868 0.190 0.000 1.078 1444 T HN 0.090 nan 8.240 nan 0.000 0.459 1445 Y N 2.215 122.503 120.300 -0.020 0.000 2.406 1445 Y HA 0.661 5.211 4.550 -0.000 0.000 0.340 1445 Y C -0.137 175.785 175.900 0.038 0.000 0.975 1445 Y CA -1.217 56.857 58.100 -0.044 0.000 1.056 1445 Y CB 1.730 39.879 38.460 -0.519 0.000 1.210 1445 Y HN 0.313 nan 8.280 nan 0.000 0.448 1446 M N 3.979 123.839 119.600 0.434 0.000 2.598 1446 M HA 0.491 4.971 4.480 -0.000 0.000 0.317 1446 M C -0.989 175.613 176.300 0.504 0.000 1.179 1446 M CA -1.080 54.353 55.300 0.222 0.000 0.936 1446 M CB 1.890 34.426 32.600 -0.107 0.000 1.713 1446 M HN 0.799 nan 8.290 nan 0.000 0.460 1447 Y N -1.401 119.019 120.300 0.200 0.000 2.609 1447 Y HA 0.719 5.269 4.550 -0.000 0.000 0.336 1447 Y C -1.400 174.568 175.900 0.113 0.000 1.129 1447 Y CA -0.967 57.212 58.100 0.131 0.000 1.040 1447 Y CB 1.638 40.123 38.460 0.042 0.000 1.310 1447 Y HN 0.736 nan 8.280 nan 0.000 0.460 1448 E N 3.578 124.017 120.200 0.397 0.000 2.255 1448 E HA 0.308 4.658 4.350 -0.000 0.000 0.256 1448 E C -1.864 174.970 176.600 0.391 0.000 0.887 1448 E CA -0.702 55.868 56.400 0.283 0.000 0.782 1448 E CB 1.213 31.027 29.700 0.189 0.000 1.214 1448 E HN 0.630 nan 8.360 nan 0.000 0.417 1456 S N 0.241 115.834 115.700 -0.178 0.000 2.606 1456 S HA 0.282 4.752 4.470 -0.000 0.000 0.257 1456 S C 0.567 175.147 174.600 -0.033 0.000 1.327 1456 S CA -0.170 57.974 58.200 -0.093 0.000 0.984 1456 S CB 1.124 64.259 63.200 -0.109 0.000 0.941 1456 S HN 0.245 nan 8.310 nan 0.000 0.576 1457 S N 0.009 115.720 115.700 0.017 0.000 2.585 1457 S HA 0.059 4.529 4.470 -0.000 0.000 0.273 1457 S C 0.760 175.290 174.600 -0.118 0.000 1.339 1457 S CA -0.618 57.600 58.200 0.030 0.000 1.028 1457 S CB 0.186 63.537 63.200 0.252 0.000 0.906 1457 S HN 0.594 nan 8.310 nan 0.000 0.528 1458 D N 3.352 123.719 120.400 -0.055 0.000 2.144 1458 D HA -0.110 4.530 4.640 -0.000 0.000 0.199 1458 D C 1.677 177.891 176.300 -0.143 0.000 0.984 1458 D CA 1.542 55.490 54.000 -0.087 0.000 0.834 1458 D CB -0.110 40.670 40.800 -0.032 0.000 0.955 1458 D HN 0.638 nan 8.370 nan 0.000 0.465 1459 M N 0.284 119.821 119.600 -0.104 0.000 2.557 1459 M HA -0.048 4.432 4.480 -0.000 0.000 0.259 1459 M C 1.035 176.978 176.300 -0.594 0.000 1.086 1459 M CA 0.436 55.679 55.300 -0.095 0.000 1.096 1459 M CB 0.035 32.803 32.600 0.281 0.000 1.424 1459 M HN -0.233 nan 8.290 nan 0.000 0.488 1460 K N 3.530 123.233 120.400 -1.162 0.000 2.378 1460 K HA 0.142 4.462 4.320 -0.000 0.000 0.288 1460 K C -2.184 173.930 176.600 -0.809 0.000 1.057 1460 K CA -1.562 53.668 56.287 -1.761 0.000 0.971 1460 K CB 0.518 32.234 32.500 -1.307 0.000 0.975 1460 K HN -0.065 nan 8.250 nan 0.000 0.475 1461 P HA -0.052 nan 4.420 nan 0.000 0.264 1461 P C -0.531 176.633 177.300 -0.227 0.000 1.183 1461 P CA 0.229 63.150 63.100 -0.299 0.000 0.763 1461 P CB 0.683 32.279 31.700 -0.174 0.000 0.807 1462 K N 0.979 121.284 120.400 -0.157 0.000 2.362 1462 K HA -0.076 4.244 4.320 -0.000 0.000 0.200 1462 K C 1.733 178.287 176.600 -0.077 0.000 1.046 1462 K CA 1.695 57.911 56.287 -0.118 0.000 0.952 1462 K CB -0.428 32.014 32.500 -0.097 0.000 0.753 1462 K HN 0.623 nan 8.250 nan 0.000 0.466 1463 T N -1.969 112.549 114.554 -0.059 0.000 3.113 1463 T HA 0.048 4.398 4.350 -0.000 0.000 0.256 1463 T C 0.736 175.432 174.700 -0.008 0.000 1.131 1463 T CA -0.161 61.924 62.100 -0.025 0.000 1.074 1463 T CB -0.058 68.806 68.868 -0.006 0.000 0.944 1463 T HN -0.213 nan 8.240 nan 0.000 0.516 1464 V N 2.566 122.467 119.914 -0.021 0.000 2.488 1464 V HA 0.427 4.547 4.120 -0.000 0.000 0.277 1464 V C 0.057 176.167 176.094 0.027 0.000 1.046 1464 V CA -0.433 61.878 62.300 0.019 0.000 0.986 1464 V CB 0.389 32.225 31.823 0.022 0.000 0.989 1464 V HN 0.463 nan 8.190 nan 0.000 0.475 1465 I N 3.327 123.930 120.570 0.055 0.000 2.569 1465 I HA 0.595 4.765 4.170 -0.000 0.000 0.290 1465 I C 0.763 176.942 176.117 0.103 0.000 1.088 1465 I CA -0.656 60.678 61.300 0.058 0.000 1.047 1465 I CB 1.979 39.990 38.000 0.019 0.000 1.237 1465 I HN 0.765 nan 8.210 nan 0.000 0.421 1466 G N 3.416 112.311 108.800 0.160 0.000 2.298 1466 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.287 1466 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.287 1466 G C -0.337 174.697 174.900 0.224 0.000 1.075 1466 G CA 0.136 45.390 45.100 0.257 0.000 0.960 1466 G HN 0.764 nan 8.290 nan 0.000 0.502 1467 D N -0.896 119.639 120.400 0.225 0.000 2.398 1467 D HA 0.370 5.010 4.640 -0.000 0.000 0.247 1467 D C 0.915 177.349 176.300 0.223 0.000 1.227 1467 D CA -0.555 53.577 54.000 0.221 0.000 0.980 1467 D CB 0.384 41.340 40.800 0.260 0.000 1.106 1467 D HN 0.361 nan 8.370 nan 0.000 0.493 1468 H N -0.570 118.560 119.070 0.101 0.000 3.070 1468 H HA 0.301 4.856 4.556 -0.000 0.000 0.313 1468 H C 1.330 176.769 175.328 0.185 0.000 0.997 1468 H CA 1.747 57.830 56.048 0.058 0.000 1.438 1468 H CB 0.029 29.807 29.762 0.027 0.000 1.455 1468 H HN 0.584 nan 8.280 nan 0.000 0.575 1469 G N 4.367 112.984 108.800 -0.305 0.000 2.184 1469 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.264 1469 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.264 1469 G C 1.188 176.021 174.900 -0.111 0.000 0.975 1469 G CA 0.551 45.438 45.100 -0.354 0.000 0.642 1469 G HN 0.673 nan 8.290 nan 0.000 0.536 1470 D N 0.937 121.391 120.400 0.090 0.000 2.218 1470 D HA -0.061 4.579 4.640 -0.000 0.000 0.204 1470 D C 2.450 178.727 176.300 -0.039 0.000 0.976 1470 D CA 1.347 55.501 54.000 0.257 0.000 0.853 1470 D CB -0.062 40.948 40.800 0.351 0.000 0.939 1470 D HN 0.761 nan 8.370 nan 0.000 0.481 1471 E N 1.073 120.898 120.200 -0.624 0.000 2.347 1471 E HA -0.134 4.216 4.350 -0.000 0.000 0.196 1471 E C 2.269 178.519 176.600 -0.583 0.000 1.008 1471 E CA 0.193 55.829 56.400 -1.274 0.000 0.852 1471 E CB -0.709 28.279 29.700 -1.186 0.000 0.783 1471 E HN 0.331 nan 8.360 nan 0.000 0.505 1472 L N -0.111 120.877 121.223 -0.390 0.000 2.081 1472 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 1472 L C 2.391 179.039 176.870 -0.370 0.000 1.080 1472 L CA 1.534 56.140 54.840 -0.389 0.000 0.754 1472 L CB -0.564 41.120 42.059 -0.625 0.000 0.893 1472 L HN 0.037 nan 8.230 nan 0.000 0.433 1473 F N -1.015 118.853 119.950 -0.136 0.000 2.407 1473 F HA -0.115 4.412 4.527 -0.000 0.000 0.299 1473 F C 2.535 178.275 175.800 -0.101 0.000 1.097 1473 F CA 0.793 58.738 58.000 -0.091 0.000 1.422 1473 F CB -0.529 38.462 39.000 -0.016 0.000 1.067 1473 F HN -0.027 nan 8.300 nan 0.000 0.539 1474 S N -0.166 115.524 115.700 -0.016 0.000 2.356 1474 S HA -0.073 4.397 4.470 -0.000 0.000 0.219 1474 S C 2.307 176.708 174.600 -0.333 0.000 1.036 1474 S CA 0.870 59.005 58.200 -0.108 0.000 0.965 1474 S CB -0.512 62.627 63.200 -0.103 0.000 0.864 1474 S HN 0.114 nan 8.310 nan 0.000 0.471 1475 V N 1.094 120.679 119.914 -0.549 0.000 2.287 1475 V HA -0.152 3.968 4.120 -0.000 0.000 0.248 1475 V C 1.418 177.042 176.094 -0.784 0.000 1.053 1475 V CA 1.677 63.475 62.300 -0.835 0.000 1.027 1475 V CB -0.758 30.494 31.823 -0.952 0.000 0.646 1475 V HN 0.454 nan 8.190 nan 0.000 0.447 1476 F N 0.635 120.341 119.950 -0.407 0.000 2.663 1476 F HA 0.456 4.983 4.527 0.000 0.000 0.299 1476 F C 1.661 177.304 175.800 -0.261 0.000 1.143 1476 F CA 0.437 58.228 58.000 -0.348 0.000 1.387 1476 F CB -0.464 38.308 39.000 -0.381 0.000 1.019 1476 F HN 0.252 nan 8.300 nan 0.000 0.523 1477 G N 0.883 109.597 108.800 -0.144 0.000 2.356 1477 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.296 1477 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.296 1477 G C 1.300 176.280 174.900 0.133 0.000 1.022 1477 G CA 0.346 45.417 45.100 -0.048 0.000 0.961 1477 G HN 0.596 nan 8.290 nan 0.000 0.510 1478 A N 0.252 123.105 122.820 0.057 0.000 1.948 1478 A HA 0.046 4.366 4.320 -0.000 0.000 0.220 1478 A C 0.645 178.168 177.584 -0.102 0.000 1.177 1478 A CA 2.065 54.043 52.037 -0.098 0.000 0.636 1478 A CB -0.662 18.267 19.000 -0.119 0.000 0.815 1478 A HN 0.449 nan 8.150 nan 0.000 0.449 1479 P HA -0.043 nan 4.420 nan 0.000 0.236 1479 P C 0.193 177.380 177.300 -0.189 0.000 1.172 1479 P CA 0.873 64.014 63.100 0.068 0.000 0.759 1479 P CB -0.170 31.510 31.700 -0.033 0.000 0.843 1480 F N -2.782 117.189 119.950 0.035 0.000 2.682 1480 F HA 0.242 4.769 4.527 -0.000 0.000 0.308 1480 F C 1.844 177.683 175.800 0.066 0.000 1.093 1480 F CA 0.229 58.278 58.000 0.082 0.000 1.244 1480 F CB -0.195 38.878 39.000 0.123 0.000 1.052 1480 F HN -0.210 nan 8.300 nan 0.000 0.573 1481 L N -1.209 120.107 121.223 0.155 0.000 2.624 1481 L HA 0.225 4.565 4.340 -0.000 0.000 0.222 1481 L C 0.813 177.712 176.870 0.047 0.000 1.046 1481 L CA 0.239 55.127 54.840 0.081 0.000 0.872 1481 L CB 0.057 42.128 42.059 0.019 0.000 1.190 1481 L HN -0.193 nan 8.230 nan 0.000 0.487 1490 I N 1.828 122.377 120.570 -0.035 0.000 2.194 1490 I HA -0.264 3.906 4.170 -0.000 0.000 0.246 1490 I C 2.715 178.864 176.117 0.054 0.000 1.093 1490 I CA 1.700 62.946 61.300 -0.089 0.000 1.355 1490 I CB -0.296 37.590 38.000 -0.190 0.000 1.046 1490 I HN 0.120 nan 8.210 nan 0.000 0.413 1491 R N 0.607 121.126 120.500 0.033 0.000 2.075 1491 R HA -0.177 4.163 4.340 -0.000 0.000 0.232 1491 R C 2.338 178.660 176.300 0.035 0.000 1.126 1491 R CA 1.201 57.328 56.100 0.045 0.000 0.963 1491 R CB -0.216 30.093 30.300 0.015 0.000 0.858 1491 R HN 0.201 nan 8.270 nan 0.000 0.435 1492 L N 0.505 121.745 121.223 0.029 0.000 2.012 1492 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 1492 L C 2.264 179.148 176.870 0.024 0.000 1.073 1492 L CA 2.235 57.090 54.840 0.024 0.000 0.748 1492 L CB -1.031 41.049 42.059 0.035 0.000 0.891 1492 L HN 0.155 nan 8.230 nan 0.000 0.431 1493 S N -0.850 114.886 115.700 0.060 0.000 2.359 1493 S HA -0.259 4.211 4.470 -0.000 0.000 0.224 1493 S C 2.086 176.653 174.600 -0.056 0.000 1.035 1493 S CA 1.717 59.933 58.200 0.027 0.000 1.018 1493 S CB -0.245 63.063 63.200 0.180 0.000 0.876 1493 S HN 0.543 nan 8.310 nan 0.000 0.448 1494 K N 0.338 120.751 120.400 0.021 0.000 2.044 1494 K HA -0.187 4.133 4.320 -0.000 0.000 0.210 1494 K C 2.342 178.875 176.600 -0.112 0.000 1.049 1494 K CA 1.920 58.178 56.287 -0.047 0.000 0.927 1494 K CB -0.360 32.175 32.500 0.059 0.000 0.713 1494 K HN 0.496 nan 8.250 nan 0.000 0.443 1495 M N 0.872 120.409 119.600 -0.105 0.000 2.065 1495 M HA -0.198 4.282 4.480 -0.000 0.000 0.259 1495 M C 2.051 178.227 176.300 -0.207 0.000 1.069 1495 M CA 1.643 56.824 55.300 -0.198 0.000 1.110 1495 M CB -0.036 32.497 32.600 -0.111 0.000 1.328 1495 M HN -0.051 nan 8.290 nan 0.000 0.405 1496 V N 0.950 120.798 119.914 -0.111 0.000 2.287 1496 V HA -0.339 3.781 4.120 -0.000 0.000 0.248 1496 V C 2.461 178.417 176.094 -0.230 0.000 1.053 1496 V CA 2.217 64.408 62.300 -0.182 0.000 1.027 1496 V CB -0.737 30.800 31.823 -0.476 0.000 0.646 1496 V HN 0.582 nan 8.190 nan 0.000 0.447 1497 M N -0.666 118.766 119.600 -0.280 0.000 2.149 1497 M HA -0.223 4.257 4.480 -0.000 0.000 0.261 1497 M C 2.256 178.513 176.300 -0.071 0.000 1.064 1497 M CA 1.833 56.985 55.300 -0.246 0.000 1.102 1497 M CB -0.538 31.884 32.600 -0.296 0.000 1.369 1497 M HN 0.296 nan 8.290 nan 0.000 0.408 1498 K N -0.344 120.007 120.400 -0.082 0.000 2.097 1498 K HA -0.059 4.261 4.320 -0.000 0.000 0.205 1498 K C 1.746 178.395 176.600 0.081 0.000 1.050 1498 K CA 1.171 57.425 56.287 -0.055 0.000 0.938 1498 K CB -0.122 32.275 32.500 -0.172 0.000 0.718 1498 K HN 0.254 nan 8.250 nan 0.000 0.442 1499 F N -0.054 120.001 119.950 0.176 0.000 2.060 1499 F HA -0.193 4.334 4.527 -0.000 0.000 0.295 1499 F C 2.388 178.375 175.800 0.312 0.000 1.120 1499 F CA 0.631 58.811 58.000 0.300 0.000 1.205 1499 F CB -0.201 39.127 39.000 0.546 0.000 0.986 1499 F HN 0.167 nan 8.300 nan 0.000 0.470 1500 W N 0.302 121.669 121.300 0.112 0.000 2.321 1500 W HA -0.302 4.358 4.660 -0.000 0.000 0.306 1500 W C 2.567 179.070 176.519 -0.027 0.000 1.217 1500 W CA 0.893 58.194 57.345 -0.074 0.000 1.257 1500 W CB -0.548 28.749 29.460 -0.271 0.000 1.145 1500 W HN 0.053 nan 8.180 nan 0.000 0.509 1501 A N 0.540 123.486 122.820 0.210 0.000 1.898 1501 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 1501 A C 1.741 179.398 177.584 0.121 0.000 1.181 1501 A CA 1.754 53.861 52.037 0.117 0.000 0.620 1501 A CB -1.041 17.998 19.000 0.064 0.000 0.819 1501 A HN 0.231 nan 8.150 nan 0.000 0.442 1502 N N -0.675 118.110 118.700 0.142 0.000 2.069 1502 N HA -0.179 4.561 4.740 -0.000 0.000 0.191 1502 N C 1.441 177.001 175.510 0.083 0.000 1.031 1502 N CA 1.664 54.780 53.050 0.110 0.000 0.852 1502 N CB -0.712 37.861 38.487 0.144 0.000 1.018 1502 N HN 0.529 nan 8.380 nan 0.000 0.423 1503 F N 1.729 121.636 119.950 -0.072 0.000 2.126 1503 F HA -0.120 4.407 4.527 -0.000 0.000 0.299 1503 F C 2.172 177.928 175.800 -0.073 0.000 1.096 1503 F CA 1.342 59.244 58.000 -0.163 0.000 1.255 1503 F CB -0.376 38.438 39.000 -0.309 0.000 0.997 1503 F HN 0.051 nan 8.300 nan 0.000 0.479 1504 A N 0.898 123.783 122.820 0.107 0.000 2.076 1504 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 1504 A C 2.216 179.797 177.584 -0.006 0.000 1.160 1504 A CA 1.827 53.906 52.037 0.071 0.000 0.653 1504 A CB -0.684 18.392 19.000 0.126 0.000 0.801 1504 A HN 0.643 nan 8.150 nan 0.000 0.455 1505 R N -2.531 117.951 120.500 -0.030 0.000 2.257 1505 R HA 0.205 4.545 4.340 -0.000 0.000 0.195 1505 R C 0.686 176.939 176.300 -0.079 0.000 0.921 1505 R CA 0.618 56.697 56.100 -0.035 0.000 1.069 1505 R CB -0.120 30.181 30.300 0.003 0.000 1.115 1505 R HN 0.327 nan 8.270 nan 0.000 0.571 1506 N N 0.389 119.020 118.700 -0.116 0.000 2.332 1506 N HA 0.092 4.832 4.740 -0.000 0.000 0.190 1506 N C 0.786 176.169 175.510 -0.210 0.000 1.117 1506 N CA 1.063 54.042 53.050 -0.119 0.000 0.883 1506 N CB 1.397 39.849 38.487 -0.058 0.000 1.089 1506 N HN 0.453 nan 8.380 nan 0.000 0.480 1507 G N 1.405 109.935 108.800 -0.450 0.000 2.132 1507 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.234 1507 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.234 1507 G C -0.250 174.431 174.900 -0.364 0.000 0.989 1507 G CA 0.032 44.705 45.100 -0.713 0.000 0.676 1507 G HN 0.428 nan 8.290 nan 0.000 0.522 1508 N N -0.332 118.219 118.700 -0.248 0.000 2.478 1508 N HA 0.428 5.168 4.740 -0.000 0.000 0.291 1508 N C -1.648 173.759 175.510 -0.173 0.000 1.090 1508 N CA -1.238 51.693 53.050 -0.198 0.000 0.911 1508 N CB 2.318 40.786 38.487 -0.032 0.000 1.546 1508 N HN -0.077 nan 8.380 nan 0.000 0.500 1509 P HA -0.043 nan 4.420 nan 0.000 0.221 1509 P C -0.089 177.350 177.300 0.232 0.000 1.150 1509 P CA 0.762 63.772 63.100 -0.149 0.000 0.800 1509 P CB 0.222 31.459 31.700 -0.771 0.000 0.787 1510 N N 0.507 119.281 118.700 0.124 0.000 2.441 1510 N HA 0.320 5.060 4.740 -0.000 0.000 0.251 1510 N C 0.905 176.541 175.510 0.209 0.000 1.242 1510 N CA 1.131 54.342 53.050 0.268 0.000 0.898 1510 N CB 0.474 39.099 38.487 0.230 0.000 1.100 1510 N HN 0.184 nan 8.380 nan 0.000 0.443 1511 G N 0.087 109.011 108.800 0.206 0.000 2.441 1511 G HA2 0.120 4.080 3.960 -0.000 0.000 0.294 1511 G HA3 0.120 4.080 3.960 -0.000 0.000 0.294 1511 G C -1.498 173.460 174.900 0.097 0.000 1.393 1511 G CA -0.757 44.416 45.100 0.121 0.000 0.796 1511 G HN 0.428 nan 8.290 nan 0.000 0.494 1512 E N -0.283 119.954 120.200 0.062 0.000 2.452 1512 E HA 0.362 4.712 4.350 -0.000 0.000 0.261 1512 E C 1.208 177.820 176.600 0.020 0.000 0.987 1512 E CA 1.279 57.706 56.400 0.046 0.000 0.926 1512 E CB 0.683 30.403 29.700 0.034 0.000 0.934 1512 E HN 1.771 nan 8.360 nan 0.000 0.452 1513 G N 2.986 111.803 108.800 0.027 0.000 2.143 1513 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.248 1513 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.248 1513 G C -0.074 174.817 174.900 -0.015 0.000 0.991 1513 G CA -0.032 45.072 45.100 0.007 0.000 0.689 1513 G HN 0.376 nan 8.290 nan 0.000 0.522 1514 L N 1.210 122.444 121.223 0.018 0.000 2.381 1514 L HA 0.462 4.802 4.340 -0.000 0.000 0.274 1514 L C -1.713 175.284 176.870 0.211 0.000 0.988 1514 L CA -2.359 52.487 54.840 0.010 0.000 0.824 1514 L CB 2.041 43.997 42.059 -0.172 0.000 1.263 1514 L HN -0.096 nan 8.230 nan 0.000 0.410 1515 P HA -0.117 nan 4.420 nan 0.000 0.266 1515 P C -0.695 176.821 177.300 0.360 0.000 1.186 1515 P CA 0.028 63.283 63.100 0.259 0.000 0.767 1515 P CB 0.366 32.186 31.700 0.201 0.000 0.820 1516 H N 2.225 121.423 119.070 0.213 0.000 2.929 1516 H HA 0.105 4.661 4.556 0.000 0.000 0.317 1516 H C -0.806 174.687 175.328 0.274 0.000 1.031 1516 H CA 0.203 56.395 56.048 0.240 0.000 1.466 1516 H CB 0.088 29.951 29.762 0.169 0.000 1.482 1516 H HN 0.388 nan 8.280 nan 0.000 0.561 1517 W N 10.067 131.039 121.300 -0.546 0.000 2.282 1517 W HA 0.300 4.960 4.660 -0.000 0.000 0.322 1517 W C -2.684 173.587 176.519 -0.413 0.000 1.011 1517 W CA -3.286 53.825 57.345 -0.390 0.000 1.392 1517 W CB 0.346 29.571 29.460 -0.391 0.000 1.215 1517 W HN 0.595 nan 8.180 nan 0.000 0.394 1518 P HA 0.002 nan 4.420 nan 0.000 0.270 1518 P C -0.479 177.048 177.300 0.378 0.000 1.223 1518 P CA 0.306 63.566 63.100 0.267 0.000 0.785 1518 P CB 0.980 32.833 31.700 0.255 0.000 0.923 1519 E N 0.843 121.152 120.200 0.181 0.000 2.283 1519 E HA 0.090 4.440 4.350 -0.000 0.000 0.278 1519 E C -0.923 175.650 176.600 -0.045 0.000 1.027 1519 E CA -0.783 55.513 56.400 -0.174 0.000 0.843 1519 E CB 0.268 29.825 29.700 -0.238 0.000 1.062 1519 E HN 0.364 nan 8.360 nan 0.000 0.401 1520 Y N 5.912 126.089 120.300 -0.205 0.000 2.576 1520 Y HA 0.011 4.561 4.550 0.000 0.000 0.348 1520 Y C -0.186 175.684 175.900 -0.049 0.000 1.212 1520 Y CA 0.025 58.102 58.100 -0.038 0.000 1.683 1520 Y CB -0.643 37.810 38.460 -0.011 0.000 1.484 1520 Y HN 0.526 nan 8.280 nan 0.000 0.477 1521 N N 0.593 119.172 118.700 -0.202 0.000 2.982 1521 N HA 0.100 4.840 4.740 -0.000 0.000 0.319 1521 N C 0.724 176.087 175.510 -0.245 0.000 1.372 1521 N CA -0.231 52.726 53.050 -0.155 0.000 0.735 1521 N CB 0.092 38.532 38.487 -0.078 0.000 1.158 1521 N HN 0.218 nan 8.380 nan 0.000 0.505 1522 Q N -0.153 119.562 119.800 -0.141 0.000 2.230 1522 Q HA 0.080 4.420 4.340 -0.000 0.000 0.202 1522 Q C 0.963 176.878 176.000 -0.142 0.000 0.963 1522 Q CA 1.061 56.787 55.803 -0.128 0.000 0.866 1522 Q CB -0.275 28.425 28.738 -0.063 0.000 0.931 1522 Q HN 0.585 nan 8.270 nan 0.000 0.452 1523 K N 1.020 121.346 120.400 -0.123 0.000 2.555 1523 K HA -0.035 4.285 4.320 -0.000 0.000 0.193 1523 K C -0.250 176.279 176.600 -0.119 0.000 1.032 1523 K CA -0.034 56.204 56.287 -0.081 0.000 1.004 1523 K CB 0.092 32.574 32.500 -0.030 0.000 0.804 1523 K HN 0.233 nan 8.250 nan 0.000 0.496 1524 E N 0.312 120.317 120.200 -0.326 0.000 2.199 1524 E HA -0.180 4.170 4.350 -0.000 0.000 0.208 1524 E C -0.058 176.526 176.600 -0.026 0.000 1.310 1524 E CA 0.140 56.210 56.400 -0.550 0.000 0.709 1524 E CB -1.465 28.063 29.700 -0.287 0.000 1.127 1524 E HN 0.469 nan 8.360 nan 0.000 0.354 1525 G N 1.104 109.925 108.800 0.035 0.000 2.339 1525 G HA2 0.440 4.400 3.960 -0.000 0.000 0.287 1525 G HA3 0.440 4.400 3.960 -0.000 0.000 0.287 1525 G C -0.352 174.808 174.900 0.434 0.000 1.163 1525 G CA -0.303 44.919 45.100 0.202 0.000 0.872 1525 G HN 0.311 nan 8.290 nan 0.000 0.464 1526 Y N 0.992 121.436 120.300 0.240 0.000 2.790 1526 Y HA 0.817 5.367 4.550 0.000 0.000 0.323 1526 Y C -1.299 174.603 175.900 0.003 0.000 1.230 1526 Y CA -1.875 56.372 58.100 0.244 0.000 1.121 1526 Y CB 1.590 40.183 38.460 0.221 0.000 1.328 1526 Y HN 0.480 nan 8.280 nan 0.000 0.514 1527 L N 1.502 122.663 121.223 -0.103 0.000 2.346 1527 L HA 0.487 4.827 4.340 -0.000 0.000 0.274 1527 L C -1.080 175.695 176.870 -0.158 0.000 1.007 1527 L CA -0.609 53.926 54.840 -0.508 0.000 0.818 1527 L CB 2.153 43.362 42.059 -1.416 0.000 1.284 1527 L HN 0.771 nan 8.230 nan 0.000 0.424 1528 Q N 5.063 124.742 119.800 -0.200 0.000 2.394 1528 Q HA 0.502 4.842 4.340 -0.000 0.000 0.259 1528 Q C -1.115 174.822 176.000 -0.104 0.000 1.021 1528 Q CA -0.260 55.520 55.803 -0.039 0.000 0.805 1528 Q CB 1.711 30.422 28.738 -0.045 0.000 1.226 1528 Q HN 0.536 nan 8.270 nan 0.000 0.476 1529 I N 1.811 122.336 120.570 -0.076 0.000 2.365 1529 I HA 0.658 4.828 4.170 -0.000 0.000 0.291 1529 I C 0.735 176.663 176.117 -0.315 0.000 1.004 1529 I CA -0.127 61.093 61.300 -0.134 0.000 1.311 1529 I CB 1.348 39.335 38.000 -0.021 0.000 1.401 1529 I HN 0.754 nan 8.210 nan 0.000 0.491 1530 G N 3.273 111.903 108.800 -0.283 0.000 2.392 1530 G HA2 0.333 4.293 3.960 -0.000 0.000 0.260 1530 G HA3 0.333 4.293 3.960 -0.000 0.000 0.260 1530 G C 0.237 175.025 174.900 -0.187 0.000 1.226 1530 G CA 0.069 44.959 45.100 -0.351 0.000 0.913 1530 G HN 0.547 nan 8.290 nan 0.000 0.483 1531 A N -0.651 122.079 122.820 -0.150 0.000 1.972 1531 A HA 0.148 4.468 4.320 -0.000 0.000 0.219 1531 A C 0.945 178.488 177.584 -0.068 0.000 1.169 1531 A CA 1.449 53.431 52.037 -0.092 0.000 0.635 1531 A CB -0.335 18.618 19.000 -0.078 0.000 0.810 1531 A HN 0.425 nan 8.150 nan 0.000 0.446 1532 N N 0.834 119.491 118.700 -0.072 0.000 2.626 1532 N HA 0.197 4.937 4.740 -0.000 0.000 0.249 1532 N C -1.371 174.104 175.510 -0.058 0.000 1.021 1532 N CA -0.011 53.008 53.050 -0.051 0.000 0.886 1532 N CB 1.304 39.766 38.487 -0.043 0.000 1.149 1532 N HN 0.075 nan 8.380 nan 0.000 0.517 1533 T N 2.596 117.124 114.554 -0.043 0.000 2.992 1533 T HA 0.124 4.474 4.350 -0.000 0.000 0.299 1533 T C 0.465 175.141 174.700 -0.039 0.000 1.027 1533 T CA -0.458 61.614 62.100 -0.045 0.000 1.001 1533 T CB 0.143 69.015 68.868 0.007 0.000 1.005 1533 T HN 0.372 nan 8.240 nan 0.000 0.599 1534 Q N 1.693 121.448 119.800 -0.075 0.000 2.413 1534 Q HA 0.733 5.073 4.340 -0.000 0.000 0.276 1534 Q C -0.805 175.107 176.000 -0.146 0.000 1.099 1534 Q CA -1.197 54.563 55.803 -0.073 0.000 0.814 1534 Q CB 1.866 30.575 28.738 -0.048 0.000 1.379 1534 Q HN 0.430 nan 8.270 nan 0.000 0.436 1535 A N 1.110 123.856 122.820 -0.124 0.000 2.448 1535 A HA 0.648 4.968 4.320 -0.000 0.000 0.239 1535 A C -0.197 177.230 177.584 -0.261 0.000 1.080 1535 A CA 0.617 52.539 52.037 -0.192 0.000 0.779 1535 A CB -0.088 18.879 19.000 -0.056 0.000 1.026 1535 A HN 1.172 nan 8.150 nan 0.000 0.499 1536 A N 0.543 123.085 122.820 -0.462 0.000 2.529 1536 A HA 0.751 5.071 4.320 -0.000 0.000 0.296 1536 A C -0.792 176.546 177.584 -0.411 0.000 1.205 1536 A CA -0.545 51.215 52.037 -0.462 0.000 0.671 1536 A CB 0.946 19.578 19.000 -0.614 0.000 1.301 1536 A HN 0.857 nan 8.150 nan 0.000 0.450 1537 Q N -0.173 119.585 119.800 -0.071 0.000 2.501 1537 Q HA 0.527 4.867 4.340 -0.000 0.000 0.288 1537 Q C -1.395 174.840 176.000 0.391 0.000 1.051 1537 Q CA -1.039 54.877 55.803 0.190 0.000 0.788 1537 Q CB 2.059 30.851 28.738 0.089 0.000 1.469 1537 Q HN 0.638 nan 8.270 nan 0.000 0.416 1538 K N 1.207 121.804 120.400 0.327 0.000 4.007 1538 K HA -0.220 4.100 4.320 -0.000 0.000 0.279 1538 K C -0.700 176.028 176.600 0.212 0.000 0.919 1538 K CA 0.010 56.437 56.287 0.232 0.000 0.800 1538 K CB -1.188 31.395 32.500 0.139 0.000 1.572 1538 K HN 0.381 nan 8.250 nan 0.000 0.443 1539 L N 2.291 123.570 121.223 0.095 0.000 2.455 1539 L HA 0.020 4.360 4.340 -0.000 0.000 0.272 1539 L C 0.839 177.671 176.870 -0.064 0.000 1.174 1539 L CA 0.631 55.323 54.840 -0.247 0.000 0.869 1539 L CB 0.437 41.989 42.059 -0.845 0.000 1.130 1539 L HN 0.366 nan 8.230 nan 0.000 0.474 1540 K N 2.470 122.855 120.400 -0.025 0.000 3.013 1540 K HA -0.317 4.003 4.320 -0.000 0.000 0.275 1540 K C 1.072 177.726 176.600 0.090 0.000 1.086 1540 K CA 1.249 57.563 56.287 0.044 0.000 0.814 1540 K CB -1.309 31.209 32.500 0.030 0.000 1.212 1540 K HN 0.977 nan 8.250 nan 0.000 0.468 1541 D N 1.182 121.636 120.400 0.090 0.000 2.177 1541 D HA -0.190 4.450 4.640 -0.000 0.000 0.189 1541 D C 1.590 177.956 176.300 0.111 0.000 1.002 1541 D CA 2.129 56.191 54.000 0.104 0.000 0.845 1541 D CB 0.095 40.953 40.800 0.096 0.000 0.960 1541 D HN 0.483 nan 8.370 nan 0.000 0.447 1542 K N -0.258 120.198 120.400 0.094 0.000 2.020 1542 K HA -0.215 4.105 4.320 -0.000 0.000 0.212 1542 K C 2.306 178.992 176.600 0.143 0.000 1.050 1542 K CA 1.765 58.104 56.287 0.087 0.000 0.929 1542 K CB -0.194 32.331 32.500 0.041 0.000 0.714 1542 K HN 0.199 nan 8.250 nan 0.000 0.443 1543 E N 0.509 120.821 120.200 0.187 0.000 2.058 1543 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 1543 E C 2.041 178.930 176.600 0.481 0.000 0.997 1543 E CA 1.219 57.842 56.400 0.372 0.000 0.801 1543 E CB -0.373 29.591 29.700 0.440 0.000 0.746 1543 E HN 0.028 nan 8.360 nan 0.000 0.450 1544 V N 1.383 121.489 119.914 0.319 0.000 2.231 1544 V HA -0.373 3.747 4.120 -0.000 0.000 0.250 1544 V C 2.292 178.527 176.094 0.236 0.000 1.058 1544 V CA 2.110 64.569 62.300 0.265 0.000 1.022 1544 V CB -1.144 30.776 31.823 0.162 0.000 0.640 1544 V HN 0.410 nan 8.190 nan 0.000 0.445 1545 A N -0.284 122.645 122.820 0.181 0.000 1.884 1545 A HA -0.315 4.005 4.320 -0.000 0.000 0.219 1545 A C 2.114 179.772 177.584 0.124 0.000 1.197 1545 A CA 2.521 54.636 52.037 0.130 0.000 0.637 1545 A CB -0.864 18.201 19.000 0.110 0.000 0.827 1545 A HN 0.564 nan 8.150 nan 0.000 0.450 1546 F N -0.824 119.122 119.950 -0.007 0.000 2.026 1546 F HA -0.220 4.307 4.527 -0.000 0.000 0.296 1546 F C 2.073 177.760 175.800 -0.188 0.000 1.133 1546 F CA 2.035 59.948 58.000 -0.145 0.000 1.188 1546 F CB -0.889 37.952 39.000 -0.265 0.000 0.968 1546 F HN 0.386 nan 8.300 nan 0.000 0.476 1547 W N 0.635 121.898 121.300 -0.062 0.000 2.335 1547 W HA -0.189 4.471 4.660 -0.000 0.000 0.311 1547 W C 2.665 179.089 176.519 -0.158 0.000 1.213 1547 W CA 2.028 59.265 57.345 -0.180 0.000 1.274 1547 W CB -1.307 28.178 29.460 0.042 0.000 1.148 1547 W HN -0.081 nan 8.180 nan 0.000 0.498 1548 T N -0.140 114.490 114.554 0.126 0.000 2.822 1548 T HA -0.223 4.127 4.350 -0.000 0.000 0.270 1548 T C 0.717 175.405 174.700 -0.019 0.000 1.064 1548 T CA 1.266 63.403 62.100 0.061 0.000 1.131 1548 T CB -0.564 68.344 68.868 0.066 0.000 0.858 1548 T HN 0.082 nan 8.240 nan 0.000 0.483 1549 N N 0.000 118.640 118.700 -0.099 0.000 1.763 1549 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 1549 N CA 0.000 52.972 53.050 -0.129 0.000 0.885 1549 N CB 0.000 38.407 38.487 -0.132 0.000 1.341 1549 N HN 0.000 nan 8.380 nan 0.000 0.667