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 3dkf_1_A DATA FIRST_RESID 1050 DATA SEQUENCE TVHIDLSALN PELVQAVQHV VIGPSSLIVH FNEVIGRGHF GCVYHGTLXX DATA SEQUENCE XXXKKIHCAV KSLNRITDIG EVSQFLTEGI IMKDFSHPNV LSLLGICLRS DATA SEQUENCE EGSPLVVLPY MKHGDLRNFI RNETHNPTVK DLIGFGLQVA KGMKFLASKK DATA SEQUENCE FVHRDLAARN CMLDEKFTVK VADFGLARDM YXXXXXXXXX XXXXKLPVKW DATA SEQUENCE MALESLQTQK FTTKSDVWSF GVLLWELMTR GAPPYPDVNT FDITVYLLQG DATA SEQUENCE RRLLQPEYCP DPLYEVMLKC WHPKAEMRPS FSELVSRISA IFSTFIGEHY DATA SEQUENCE VHVNATYVNV KE 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 1050 T HA 0.000 nan 4.350 nan 0.000 0.228 1050 T C 0.000 174.712 174.700 0.020 0.000 1.109 1050 T CA 0.000 62.104 62.100 0.007 0.000 1.349 1050 T CB 0.000 68.872 68.868 0.006 0.000 0.612 1051 V N 3.391 123.312 119.914 0.013 0.000 2.599 1051 V HA 0.349 4.469 4.120 -0.000 0.000 0.300 1051 V C 0.768 176.885 176.094 0.038 0.000 1.034 1051 V CA -0.158 62.156 62.300 0.024 0.000 1.115 1051 V CB -0.051 31.772 31.823 0.000 0.000 0.934 1051 V HN 0.691 nan 8.190 nan 0.000 0.485 1052 H N 5.106 124.164 119.070 -0.019 0.000 2.582 1052 H HA 0.601 5.157 4.556 -0.000 0.000 0.345 1052 H C -0.556 174.759 175.328 -0.021 0.000 1.104 1052 H CA -0.357 55.679 56.048 -0.021 0.000 1.390 1052 H CB 0.982 30.734 29.762 -0.017 0.000 1.461 1052 H HN 0.642 nan 8.280 nan 0.000 0.551 1053 I N 4.363 124.472 120.570 -0.768 0.000 2.499 1053 I HA 0.213 4.383 4.170 -0.000 0.000 0.288 1053 I C -1.351 174.330 176.117 -0.726 0.000 1.048 1053 I CA -0.848 60.088 61.300 -0.608 0.000 1.062 1053 I CB 1.383 39.223 38.000 -0.266 0.000 1.238 1053 I HN 0.675 nan 8.210 nan 0.000 0.426 1054 D N 6.919 127.055 120.400 -0.440 0.000 2.317 1054 D HA 0.274 4.914 4.640 -0.000 0.000 0.234 1054 D C 0.744 176.992 176.300 -0.086 0.000 1.112 1054 D CA -0.142 53.773 54.000 -0.143 0.000 0.840 1054 D CB 1.403 42.243 40.800 0.066 0.000 1.078 1054 D HN 0.584 nan 8.370 nan 0.000 0.486 1055 L N 2.590 123.773 121.223 -0.067 0.000 2.240 1055 L HA -0.091 4.249 4.340 -0.000 0.000 0.211 1055 L C 2.252 179.112 176.870 -0.017 0.000 1.106 1055 L CA 0.709 55.522 54.840 -0.044 0.000 0.793 1055 L CB -0.347 41.689 42.059 -0.038 0.000 0.927 1055 L HN 0.419 nan 8.230 nan 0.000 0.446 1056 S N 0.217 115.914 115.700 -0.005 0.000 2.537 1056 S HA -0.102 4.367 4.470 -0.000 0.000 0.240 1056 S C 1.819 176.422 174.600 0.005 0.000 0.981 1056 S CA 0.750 58.953 58.200 0.005 0.000 0.948 1056 S CB -0.254 62.953 63.200 0.013 0.000 0.759 1056 S HN 0.351 nan 8.310 nan 0.000 0.531 1057 A N 0.450 123.270 122.820 -0.000 0.000 2.208 1057 A HA 0.597 4.917 4.320 -0.000 0.000 0.209 1057 A C 1.140 178.724 177.584 0.000 0.000 1.161 1057 A CA 0.545 52.582 52.037 0.001 0.000 0.782 1057 A CB -0.879 18.119 19.000 -0.003 0.000 0.816 1057 A HN 0.952 nan 8.150 nan 0.000 0.477 1058 L N 0.081 121.304 121.223 -0.000 0.000 2.452 1058 L HA 0.396 4.736 4.340 -0.000 0.000 0.267 1058 L C 0.712 177.587 176.870 0.008 0.000 1.188 1058 L CA -0.506 54.337 54.840 0.004 0.000 0.821 1058 L CB -0.396 41.668 42.059 0.007 0.000 1.102 1058 L HN 0.503 nan 8.230 nan 0.000 0.470 1059 N N 2.210 120.915 118.700 0.009 0.000 2.411 1059 N HA 0.050 4.790 4.740 -0.000 0.000 0.261 1059 N C -1.552 173.965 175.510 0.012 0.000 1.248 1059 N CA -0.935 52.121 53.050 0.010 0.000 0.885 1059 N CB 1.367 39.860 38.487 0.010 0.000 1.062 1059 N HN 0.525 nan 8.380 nan 0.000 0.471 1060 P HA -0.120 nan 4.420 nan 0.000 0.217 1060 P C 1.006 178.314 177.300 0.014 0.000 1.150 1060 P CA 1.036 64.143 63.100 0.012 0.000 0.832 1060 P CB 0.244 31.950 31.700 0.010 0.000 0.787 1061 E N -0.072 120.136 120.200 0.013 0.000 2.150 1061 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 1061 E C 2.089 178.700 176.600 0.019 0.000 0.985 1061 E CA 1.290 57.699 56.400 0.015 0.000 0.814 1061 E CB -0.509 29.199 29.700 0.013 0.000 0.752 1061 E HN 0.077 nan 8.360 nan 0.000 0.466 1062 L N 0.842 122.075 121.223 0.017 0.000 2.109 1062 L HA 0.065 4.405 4.340 -0.000 0.000 0.207 1062 L C 2.902 179.784 176.870 0.020 0.000 1.086 1062 L CA 1.989 56.840 54.840 0.018 0.000 0.760 1062 L CB -1.827 40.241 42.059 0.016 0.000 0.910 1062 L HN 0.276 nan 8.230 nan 0.000 0.437 1063 V N -1.142 118.784 119.914 0.020 0.000 2.626 1063 V HA -0.095 4.025 4.120 -0.000 0.000 0.252 1063 V C 2.559 178.668 176.094 0.025 0.000 1.067 1063 V CA 3.197 65.509 62.300 0.020 0.000 1.081 1063 V CB -1.168 30.666 31.823 0.018 0.000 0.686 1063 V HN 0.768 nan 8.190 nan 0.000 0.468 1064 Q N -0.240 119.576 119.800 0.028 0.000 2.049 1064 Q HA 0.152 4.492 4.340 -0.000 0.000 0.198 1064 Q C 2.426 178.460 176.000 0.057 0.000 0.971 1064 Q CA 2.245 58.069 55.803 0.035 0.000 0.833 1064 Q CB -0.959 27.795 28.738 0.026 0.000 0.896 1064 Q HN 1.265 nan 8.270 nan 0.000 0.434 1065 A N -0.317 122.538 122.820 0.058 0.000 2.067 1065 A HA 0.155 4.475 4.320 -0.000 0.000 0.219 1065 A C 2.285 179.960 177.584 0.152 0.000 1.158 1065 A CA 1.513 53.607 52.037 0.094 0.000 0.661 1065 A CB -0.225 18.814 19.000 0.065 0.000 0.801 1065 A HN 0.723 nan 8.150 nan 0.000 0.452 1066 V N -0.583 119.367 119.914 0.060 0.000 3.649 1066 V HA 0.046 4.166 4.120 -0.000 0.000 0.275 1066 V C 2.687 178.736 176.094 -0.075 0.000 1.281 1066 V CA 1.669 63.945 62.300 -0.039 0.000 1.143 1066 V CB -0.307 31.486 31.823 -0.050 0.000 0.892 1066 V HN 0.738 nan 8.190 nan 0.000 0.441 1067 Q N 0.193 120.015 119.800 0.036 0.000 2.096 1067 Q HA -0.283 4.057 4.340 -0.000 0.000 0.204 1067 Q C 1.975 177.986 176.000 0.018 0.000 0.982 1067 Q CA 2.130 57.952 55.803 0.032 0.000 0.850 1067 Q CB -1.105 27.671 28.738 0.064 0.000 0.901 1067 Q HN 1.019 nan 8.270 nan 0.000 0.422 1068 H N -1.191 117.874 119.070 -0.008 0.000 2.559 1068 H HA 0.104 4.660 4.556 -0.000 0.000 0.273 1068 H C 1.404 176.724 175.328 -0.014 0.000 1.000 1068 H CA 1.443 57.486 56.048 -0.009 0.000 1.195 1068 H CB -0.185 29.573 29.762 -0.006 0.000 1.368 1068 H HN 0.362 nan 8.280 nan 0.000 0.592 1069 V N 0.617 120.232 119.914 -0.498 0.000 3.621 1069 V HA 0.072 4.192 4.120 -0.000 0.000 0.263 1069 V C 1.129 177.118 176.094 -0.175 0.000 1.272 1069 V CA -0.040 62.043 62.300 -0.362 0.000 1.080 1069 V CB 0.611 32.166 31.823 -0.447 0.000 0.816 1069 V HN 0.054 nan 8.190 nan 0.000 0.451 1070 V N 2.232 122.072 119.914 -0.124 0.000 2.614 1070 V HA 0.229 4.349 4.120 -0.000 0.000 0.291 1070 V C -0.048 176.026 176.094 -0.033 0.000 1.049 1070 V CA 0.180 62.447 62.300 -0.054 0.000 1.038 1070 V CB 1.261 33.068 31.823 -0.027 0.000 0.980 1070 V HN 0.255 nan 8.190 nan 0.000 0.481 1071 I N 3.770 124.329 120.570 -0.019 0.000 2.354 1071 I HA 0.441 4.610 4.170 -0.000 0.000 0.292 1071 I C 1.063 177.175 176.117 -0.009 0.000 0.989 1071 I CA -0.279 61.012 61.300 -0.016 0.000 1.188 1071 I CB 1.466 39.456 38.000 -0.018 0.000 1.342 1071 I HN 0.724 nan 8.210 nan 0.000 0.457 1072 G N 6.083 114.877 108.800 -0.010 0.000 2.484 1072 G HA2 0.139 4.099 3.960 -0.000 0.000 0.235 1072 G HA3 0.139 4.099 3.960 -0.000 0.000 0.235 1072 G C -1.836 173.058 174.900 -0.010 0.000 1.282 1072 G CA -0.773 44.322 45.100 -0.008 0.000 0.857 1072 G HN 0.458 nan 8.290 nan 0.000 0.571 1073 P HA -0.020 nan 4.420 nan 0.000 0.222 1073 P C 1.599 178.890 177.300 -0.016 0.000 1.147 1073 P CA 0.983 64.078 63.100 -0.007 0.000 0.790 1073 P CB 0.453 32.151 31.700 -0.003 0.000 0.780 1074 S N -1.795 113.894 115.700 -0.017 0.000 2.535 1074 S HA 0.068 4.538 4.470 -0.000 0.000 0.214 1074 S C 1.662 176.245 174.600 -0.029 0.000 0.980 1074 S CA 0.241 58.428 58.200 -0.022 0.000 0.907 1074 S CB -0.253 62.937 63.200 -0.017 0.000 0.790 1074 S HN 0.129 nan 8.310 nan 0.000 0.510 1075 S N 1.073 116.756 115.700 -0.029 0.000 2.496 1075 S HA 0.235 4.705 4.470 -0.000 0.000 0.224 1075 S C 0.154 174.725 174.600 -0.048 0.000 0.996 1075 S CA 0.079 58.258 58.200 -0.034 0.000 0.927 1075 S CB 0.040 63.224 63.200 -0.027 0.000 0.774 1075 S HN 0.365 nan 8.310 nan 0.000 0.524 1076 L N 1.315 122.506 121.223 -0.054 0.000 2.385 1076 L HA 0.592 4.932 4.340 -0.000 0.000 0.273 1076 L C -1.522 175.283 176.870 -0.108 0.000 0.990 1076 L CA -0.517 54.276 54.840 -0.077 0.000 0.821 1076 L CB 1.367 43.389 42.059 -0.062 0.000 1.279 1076 L HN 0.017 nan 8.230 nan 0.000 0.412 1077 I N 6.094 126.566 120.570 -0.164 0.000 2.405 1077 I HA 0.313 4.483 4.170 -0.000 0.000 0.280 1077 I C -0.753 175.115 176.117 -0.416 0.000 1.027 1077 I CA -0.750 60.394 61.300 -0.261 0.000 1.161 1077 I CB 1.599 39.437 38.000 -0.270 0.000 1.300 1077 I HN 0.237 nan 8.210 nan 0.000 0.463 1078 V N 5.508 125.180 119.914 -0.403 0.000 2.389 1078 V HA 0.102 4.222 4.120 -0.000 0.000 0.264 1078 V C 0.076 175.767 176.094 -0.671 0.000 1.049 1078 V CA -0.531 61.426 62.300 -0.572 0.000 0.932 1078 V CB -0.040 31.303 31.823 -0.800 0.000 1.011 1078 V HN 0.577 nan 8.190 nan 0.000 0.475 1079 H N 5.326 124.216 119.070 -0.300 0.000 3.092 1079 H HA 0.219 4.775 4.556 -0.000 0.000 0.263 1079 H C 0.555 175.772 175.328 -0.184 0.000 1.611 1079 H CA -0.136 55.829 56.048 -0.138 0.000 1.457 1079 H CB -0.320 29.454 29.762 0.020 0.000 1.731 1079 H HN 0.628 nan 8.280 nan 0.000 0.532 1080 F N 0.784 120.662 119.950 -0.121 0.000 2.494 1080 F HA -0.194 4.333 4.527 -0.000 0.000 0.298 1080 F C 2.364 178.145 175.800 -0.033 0.000 1.106 1080 F CA 0.924 58.710 58.000 -0.356 0.000 1.452 1080 F CB -0.505 38.255 39.000 -0.401 0.000 1.085 1080 F HN 0.724 nan 8.300 nan 0.000 0.569 1081 N N 0.736 119.565 118.700 0.215 0.000 2.106 1081 N HA -0.011 4.729 4.740 -0.000 0.000 0.188 1081 N C 1.125 176.761 175.510 0.210 0.000 1.029 1081 N CA 1.405 54.570 53.050 0.191 0.000 0.848 1081 N CB -0.748 37.831 38.487 0.153 0.000 1.007 1081 N HN 0.383 nan 8.380 nan 0.000 0.423 1082 E N -0.273 120.066 120.200 0.232 0.000 2.081 1082 E HA 0.691 5.041 4.350 -0.000 0.000 0.276 1082 E C -0.246 176.524 176.600 0.283 0.000 0.950 1082 E CA -0.181 56.338 56.400 0.198 0.000 0.776 1082 E CB 0.307 30.070 29.700 0.105 0.000 1.094 1082 E HN 1.161 nan 8.360 nan 0.000 0.402 1083 V N 2.520 122.568 119.914 0.224 0.000 2.498 1083 V HA 0.608 4.728 4.120 -0.000 0.000 0.279 1083 V C 1.031 177.155 176.094 0.049 0.000 1.048 1083 V CA 0.300 62.658 62.300 0.097 0.000 0.967 1083 V CB 0.683 32.520 31.823 0.023 0.000 0.988 1083 V HN 0.987 nan 8.190 nan 0.000 0.473 1084 I N 1.953 122.534 120.570 0.019 0.000 4.187 1084 I HA 0.713 4.883 4.170 -0.000 0.000 0.326 1084 I C 0.617 176.731 176.117 -0.004 0.000 1.302 1084 I CA 0.313 61.640 61.300 0.045 0.000 1.196 1084 I CB 0.718 38.805 38.000 0.145 0.000 1.095 1084 I HN 0.714 nan 8.210 nan 0.000 0.411 1085 G N 0.906 109.683 108.800 -0.038 0.000 2.677 1085 G HA2 0.799 4.759 3.960 -0.000 0.000 0.291 1085 G HA3 0.799 4.759 3.960 -0.000 0.000 0.291 1085 G C -1.616 173.281 174.900 -0.006 0.000 1.435 1085 G CA -0.429 44.666 45.100 -0.009 0.000 0.826 1085 G HN 0.378 nan 8.290 nan 0.000 0.491 1086 R N -0.799 119.747 120.500 0.078 0.000 2.522 1086 R HA 0.907 5.247 4.340 -0.000 0.000 0.283 1086 R C 0.005 176.359 176.300 0.090 0.000 1.074 1086 R CA -0.026 56.106 56.100 0.053 0.000 0.925 1086 R CB 1.427 31.734 30.300 0.010 0.000 1.205 1086 R HN 2.105 nan 8.270 nan 0.000 0.436 1087 G N -1.099 107.703 108.800 0.002 0.000 3.013 1087 G HA2 0.445 4.405 3.960 -0.000 0.000 0.278 1087 G HA3 0.445 4.405 3.960 -0.000 0.000 0.278 1087 G C 0.169 175.002 174.900 -0.112 0.000 1.353 1087 G CA -0.255 44.731 45.100 -0.190 0.000 1.043 1087 G HN 0.760 nan 8.290 nan 0.000 0.523 1088 H N -0.912 117.884 119.070 -0.457 0.000 2.421 1088 H HA -0.035 4.521 4.556 -0.000 0.000 0.298 1088 H C 1.203 176.303 175.328 -0.380 0.000 1.087 1088 H CA 1.246 57.000 56.048 -0.490 0.000 1.330 1088 H CB 0.213 29.513 29.762 -0.770 0.000 1.388 1088 H HN 0.364 nan 8.280 nan 0.000 0.526 1089 F N 0.373 120.333 119.950 0.016 0.000 2.660 1089 F HA 0.306 4.833 4.527 -0.000 0.000 0.302 1089 F C 1.092 176.898 175.800 0.010 0.000 1.103 1089 F CA -0.053 57.949 58.000 0.003 0.000 1.340 1089 F CB 1.143 40.135 39.000 -0.013 0.000 1.048 1089 F HN 0.125 nan 8.300 nan 0.000 0.551 1090 G N -0.676 108.201 108.800 0.129 0.000 2.347 1090 G HA2 0.070 4.030 3.960 -0.000 0.000 0.321 1090 G HA3 0.070 4.030 3.960 -0.000 0.000 0.321 1090 G C -1.577 173.361 174.900 0.063 0.000 1.412 1090 G CA -1.447 43.720 45.100 0.113 0.000 0.990 1090 G HN -0.033 nan 8.290 nan 0.000 0.637 1091 C N -0.534 118.786 119.300 0.034 0.000 2.443 1091 C HA 0.742 5.202 4.460 -0.000 0.000 0.369 1091 C C 0.844 175.676 174.990 -0.264 0.000 1.241 1091 C CA -0.406 58.518 59.018 -0.158 0.000 2.413 1091 C CB 0.903 28.461 27.740 -0.304 0.000 2.451 1091 C HN 0.672 nan 8.230 nan 0.000 0.595 1092 V N 2.223 121.927 119.914 -0.350 0.000 2.495 1092 V HA 0.444 4.564 4.120 -0.000 0.000 0.298 1092 V C -0.975 174.874 176.094 -0.408 0.000 1.031 1092 V CA -0.454 61.704 62.300 -0.236 0.000 0.871 1092 V CB 0.833 32.634 31.823 -0.037 0.000 0.988 1092 V HN 0.798 nan 8.190 nan 0.000 0.432 1093 Y N 1.619 121.960 120.300 0.067 0.000 2.509 1093 Y HA 0.460 5.010 4.550 -0.000 0.000 0.341 1093 Y C 0.482 176.444 175.900 0.102 0.000 1.038 1093 Y CA -0.849 57.286 58.100 0.058 0.000 1.089 1093 Y CB 1.145 39.560 38.460 -0.075 0.000 1.241 1093 Y HN 0.600 nan 8.280 nan 0.000 0.468 1094 H N 0.922 120.117 119.070 0.209 0.000 2.886 1094 H HA 0.355 4.911 4.556 -0.000 0.000 0.329 1094 H C -0.323 175.118 175.328 0.189 0.000 1.044 1094 H CA 0.281 56.421 56.048 0.154 0.000 1.456 1094 H CB 0.563 30.354 29.762 0.048 0.000 1.464 1094 H HN 0.946 nan 8.280 nan 0.000 0.573 1095 G N 2.815 111.455 108.800 -0.268 0.000 2.574 1095 G HA2 0.337 4.296 3.960 -0.000 0.000 0.299 1095 G HA3 0.337 4.296 3.960 -0.000 0.000 0.299 1095 G C -1.167 173.575 174.900 -0.263 0.000 1.298 1095 G CA -0.559 44.430 45.100 -0.185 0.000 0.952 1095 G HN 0.561 nan 8.290 nan 0.000 0.477 1096 T N 1.190 115.651 114.554 -0.155 0.000 2.786 1096 T HA 0.497 4.847 4.350 -0.000 0.000 0.283 1096 T C -0.406 174.222 174.700 -0.120 0.000 0.992 1096 T CA -0.238 61.784 62.100 -0.130 0.000 0.954 1096 T CB 1.491 70.338 68.868 -0.036 0.000 0.934 1096 T HN 0.396 nan 8.240 nan 0.000 0.440 1104 K N 1.637 121.987 120.400 -0.083 0.000 2.265 1104 K HA 0.834 5.154 4.320 -0.000 0.000 0.267 1104 K C 0.092 176.583 176.600 -0.181 0.000 0.994 1104 K CA -0.112 56.104 56.287 -0.119 0.000 0.860 1104 K CB 0.079 32.508 32.500 -0.118 0.000 1.099 1104 K HN 1.660 nan 8.250 nan 0.000 0.448 1105 I N -1.173 119.295 120.570 -0.171 0.000 2.441 1105 I HA 0.531 4.701 4.170 -0.000 0.000 0.295 1105 I C -0.149 175.835 176.117 -0.222 0.000 0.994 1105 I CA -1.053 60.133 61.300 -0.189 0.000 1.144 1105 I CB 1.487 39.441 38.000 -0.078 0.000 1.314 1105 I HN 0.701 nan 8.210 nan 0.000 0.445 1106 H N 4.556 123.573 119.070 -0.088 0.000 2.928 1106 H HA 0.417 4.973 4.556 -0.000 0.000 0.338 1106 H C 0.163 175.435 175.328 -0.093 0.000 1.047 1106 H CA 0.295 56.236 56.048 -0.178 0.000 1.435 1106 H CB 0.604 30.261 29.762 -0.174 0.000 1.428 1106 H HN 0.939 nan 8.280 nan 0.000 0.590 1107 C N 0.625 119.903 119.300 -0.036 0.000 3.236 1107 C HA 0.907 5.367 4.460 -0.000 0.000 0.312 1107 C C -0.239 174.825 174.990 0.124 0.000 1.374 1107 C CA -1.101 57.958 59.018 0.068 0.000 1.455 1107 C CB 0.837 28.576 27.740 -0.002 0.000 1.834 1107 C HN 0.958 nan 8.230 nan 0.000 0.460 1108 A N 0.908 123.815 122.820 0.145 0.000 2.271 1108 A HA 0.730 5.050 4.320 -0.000 0.000 0.317 1108 A C -0.733 176.893 177.584 0.069 0.000 1.245 1108 A CA -0.386 51.734 52.037 0.139 0.000 0.857 1108 A CB 0.558 19.612 19.000 0.090 0.000 1.175 1108 A HN 1.342 nan 8.150 nan 0.000 0.512 1109 V N 3.401 123.364 119.914 0.082 0.000 2.357 1109 V HA 0.336 4.456 4.120 -0.000 0.000 0.284 1109 V C 0.220 176.396 176.094 0.137 0.000 1.018 1109 V CA -0.576 61.771 62.300 0.078 0.000 0.841 1109 V CB 1.253 33.091 31.823 0.024 0.000 0.991 1109 V HN 0.882 nan 8.190 nan 0.000 0.437 1110 K N 2.939 123.415 120.400 0.125 0.000 2.234 1110 K HA 0.417 4.737 4.320 -0.000 0.000 0.277 1110 K C -0.028 176.690 176.600 0.197 0.000 1.038 1110 K CA -0.136 56.241 56.287 0.150 0.000 0.888 1110 K CB 1.130 33.715 32.500 0.142 0.000 1.091 1110 K HN 0.648 nan 8.250 nan 0.000 0.467 1111 S N 5.533 121.395 115.700 0.270 0.000 2.399 1111 S HA 0.244 4.714 4.470 -0.000 0.000 0.301 1111 S C -0.126 174.591 174.600 0.194 0.000 1.093 1111 S CA -0.848 57.522 58.200 0.284 0.000 1.077 1111 S CB -0.046 63.443 63.200 0.481 0.000 0.980 1111 S HN 0.478 nan 8.310 nan 0.000 0.494 1112 L N 4.596 125.895 121.223 0.127 0.000 2.479 1112 L HA 0.365 4.705 4.340 -0.000 0.000 0.248 1112 L C 1.105 178.002 176.870 0.045 0.000 1.205 1112 L CA 0.096 54.986 54.840 0.083 0.000 0.817 1112 L CB 0.201 42.274 42.059 0.024 0.000 1.162 1112 L HN 0.587 nan 8.230 nan 0.000 0.486 1113 N N 0.911 119.631 118.700 0.033 0.000 2.492 1113 N HA 0.038 4.778 4.740 -0.000 0.000 0.260 1113 N C -0.021 175.457 175.510 -0.053 0.000 1.215 1113 N CA -0.140 52.916 53.050 0.009 0.000 0.923 1113 N CB 0.364 38.868 38.487 0.029 0.000 1.092 1113 N HN 0.358 nan 8.380 nan 0.000 0.448 1114 R N 2.171 122.641 120.500 -0.050 0.000 2.486 1114 R HA 0.041 4.381 4.340 -0.000 0.000 0.303 1114 R C -0.123 176.116 176.300 -0.103 0.000 0.958 1114 R CA 0.228 56.279 56.100 -0.082 0.000 1.077 1114 R CB 0.043 30.307 30.300 -0.060 0.000 0.921 1114 R HN 0.490 nan 8.270 nan 0.000 0.406 1115 I N 3.870 124.350 120.570 -0.151 0.000 2.325 1115 I HA 0.028 4.197 4.170 -0.000 0.000 0.291 1115 I C 1.248 177.292 176.117 -0.121 0.000 1.019 1115 I CA -0.010 61.200 61.300 -0.150 0.000 1.302 1115 I CB 1.768 39.637 38.000 -0.219 0.000 1.401 1115 I HN 0.706 nan 8.210 nan 0.000 0.485 1116 T N 2.869 117.368 114.554 -0.091 0.000 2.990 1116 T HA 0.031 4.381 4.350 -0.000 0.000 0.249 1116 T C 0.215 174.872 174.700 -0.071 0.000 1.039 1116 T CA 0.198 62.249 62.100 -0.081 0.000 1.036 1116 T CB -0.036 68.797 68.868 -0.058 0.000 0.994 1116 T HN 0.628 nan 8.240 nan 0.000 0.489 1117 D N 0.921 121.285 120.400 -0.060 0.000 2.233 1117 D HA 0.249 4.889 4.640 -0.000 0.000 0.240 1117 D C 1.210 177.483 176.300 -0.044 0.000 1.074 1117 D CA -0.468 53.505 54.000 -0.045 0.000 0.838 1117 D CB 0.673 41.455 40.800 -0.031 0.000 1.124 1117 D HN -0.028 nan 8.370 nan 0.000 0.475 1118 I N 3.717 124.265 120.570 -0.037 0.000 2.493 1118 I HA -0.055 4.115 4.170 -0.000 0.000 0.254 1118 I C 1.558 177.668 176.117 -0.011 0.000 1.160 1118 I CA 1.201 62.484 61.300 -0.028 0.000 1.445 1118 I CB -0.576 37.409 38.000 -0.026 0.000 1.086 1118 I HN 0.635 nan 8.210 nan 0.000 0.433 1119 G N 0.457 109.251 108.800 -0.010 0.000 2.421 1119 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.216 1119 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.216 1119 G C 1.602 176.505 174.900 0.004 0.000 1.171 1119 G CA 1.139 46.238 45.100 -0.002 0.000 0.775 1119 G HN 0.528 nan 8.290 nan 0.000 0.543 1120 E N 0.210 120.407 120.200 -0.006 0.000 2.150 1120 E HA 0.056 4.406 4.350 -0.000 0.000 0.193 1120 E C 2.543 179.157 176.600 0.024 0.000 0.985 1120 E CA 1.185 57.584 56.400 -0.002 0.000 0.814 1120 E CB -0.623 29.060 29.700 -0.027 0.000 0.752 1120 E HN 0.301 nan 8.360 nan 0.000 0.466 1121 V N 1.445 121.362 119.914 0.006 0.000 2.343 1121 V HA -0.246 3.874 4.120 -0.000 0.000 0.247 1121 V C 2.714 178.874 176.094 0.110 0.000 1.051 1121 V CA 2.178 64.499 62.300 0.035 0.000 1.036 1121 V CB -0.404 31.412 31.823 -0.013 0.000 0.654 1121 V HN 0.558 nan 8.190 nan 0.000 0.451 1122 S N -0.335 115.400 115.700 0.059 0.000 2.382 1122 S HA -0.249 4.221 4.470 -0.000 0.000 0.228 1122 S C 2.347 176.976 174.600 0.047 0.000 1.027 1122 S CA 1.734 59.963 58.200 0.049 0.000 0.991 1122 S CB -0.504 62.711 63.200 0.024 0.000 0.823 1122 S HN 0.785 nan 8.310 nan 0.000 0.469 1123 Q N 0.609 120.439 119.800 0.051 0.000 2.172 1123 Q HA 0.039 4.379 4.340 -0.000 0.000 0.200 1123 Q C 1.805 177.833 176.000 0.046 0.000 0.964 1123 Q CA 1.496 57.319 55.803 0.033 0.000 0.855 1123 Q CB -1.254 27.498 28.738 0.024 0.000 0.918 1123 Q HN 0.706 nan 8.270 nan 0.000 0.444 1124 F N 0.635 120.551 119.950 -0.057 0.000 2.186 1124 F HA -0.013 4.514 4.527 -0.000 0.000 0.299 1124 F C 1.894 177.656 175.800 -0.063 0.000 1.090 1124 F CA 1.510 59.471 58.000 -0.065 0.000 1.307 1124 F CB 0.029 38.991 39.000 -0.063 0.000 1.019 1124 F HN 0.219 nan 8.300 nan 0.000 0.489 1125 L N -0.599 120.610 121.223 -0.024 0.000 2.109 1125 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 1125 L C 2.317 179.097 176.870 -0.150 0.000 1.086 1125 L CA 1.540 56.308 54.840 -0.120 0.000 0.760 1125 L CB -1.236 40.832 42.059 0.015 0.000 0.910 1125 L HN 0.094 nan 8.230 nan 0.000 0.437 1126 T N -0.450 114.048 114.554 -0.092 0.000 2.777 1126 T HA -0.179 4.171 4.350 -0.000 0.000 0.266 1126 T C 2.247 176.869 174.700 -0.129 0.000 1.040 1126 T CA 1.659 63.712 62.100 -0.080 0.000 1.141 1126 T CB -0.340 68.503 68.868 -0.041 0.000 0.868 1126 T HN 0.562 nan 8.240 nan 0.000 0.444 1127 E N 1.288 121.386 120.200 -0.169 0.000 2.085 1127 E HA -0.026 4.324 4.350 -0.000 0.000 0.194 1127 E C 2.473 178.903 176.600 -0.283 0.000 0.994 1127 E CA 1.562 57.833 56.400 -0.215 0.000 0.801 1127 E CB -1.656 27.920 29.700 -0.207 0.000 0.743 1127 E HN 0.589 nan 8.360 nan 0.000 0.453 1128 G N 0.692 109.269 108.800 -0.371 0.000 2.446 1128 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.217 1128 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.217 1128 G C 1.882 176.636 174.900 -0.244 0.000 1.168 1128 G CA 1.233 46.112 45.100 -0.368 0.000 0.771 1128 G HN 0.524 nan 8.290 nan 0.000 0.551 1129 I N 0.449 120.909 120.570 -0.184 0.000 2.226 1129 I HA -0.116 4.054 4.170 -0.000 0.000 0.245 1129 I C 2.642 178.736 176.117 -0.037 0.000 1.100 1129 I CA 0.767 62.022 61.300 -0.076 0.000 1.374 1129 I CB -0.191 37.809 38.000 -0.001 0.000 1.057 1129 I HN 0.157 nan 8.210 nan 0.000 0.413 1130 I N -0.058 120.450 120.570 -0.104 0.000 2.202 1130 I HA -0.313 3.857 4.170 -0.000 0.000 0.242 1130 I C 2.654 178.605 176.117 -0.277 0.000 1.091 1130 I CA 1.452 62.667 61.300 -0.141 0.000 1.368 1130 I CB -0.297 37.584 38.000 -0.199 0.000 1.058 1130 I HN 0.255 nan 8.210 nan 0.000 0.410 1131 M N 0.889 120.281 119.600 -0.346 0.000 2.108 1131 M HA -0.273 4.207 4.480 -0.000 0.000 0.261 1131 M C 2.314 178.579 176.300 -0.058 0.000 1.066 1131 M CA 1.841 56.946 55.300 -0.325 0.000 1.107 1131 M CB -0.101 32.335 32.600 -0.273 0.000 1.356 1131 M HN -0.022 nan 8.290 nan 0.000 0.406 1132 K N 0.756 121.128 120.400 -0.047 0.000 2.160 1132 K HA -0.190 4.130 4.320 -0.000 0.000 0.206 1132 K C 1.045 177.731 176.600 0.144 0.000 1.047 1132 K CA 1.922 58.228 56.287 0.033 0.000 0.930 1132 K CB -0.312 32.189 32.500 0.002 0.000 0.720 1132 K HN 0.488 nan 8.250 nan 0.000 0.450 1133 D N -0.779 119.740 120.400 0.198 0.000 2.339 1133 D HA -0.013 4.627 4.640 -0.000 0.000 0.217 1133 D C -0.386 176.224 176.300 0.518 0.000 1.050 1133 D CA 0.203 54.379 54.000 0.292 0.000 0.856 1133 D CB 0.132 41.077 40.800 0.243 0.000 0.922 1133 D HN 0.221 nan 8.370 nan 0.000 0.518 1134 F N 1.557 121.613 119.950 0.178 0.000 2.606 1134 F HA 0.079 4.606 4.527 -0.000 0.000 0.347 1134 F C 0.797 176.746 175.800 0.248 0.000 1.207 1134 F CA -0.508 57.681 58.000 0.316 0.000 1.306 1134 F CB 0.518 39.625 39.000 0.179 0.000 1.657 1134 F HN -0.234 nan 8.300 nan 0.000 0.606 1135 S N 2.654 118.509 115.700 0.257 0.000 2.456 1135 S HA 0.383 4.853 4.470 -0.000 0.000 0.316 1135 S C -1.085 173.290 174.600 -0.376 0.000 1.089 1135 S CA -0.305 57.891 58.200 -0.008 0.000 1.101 1135 S CB 0.601 63.828 63.200 0.046 0.000 0.995 1135 S HN 0.599 nan 8.310 nan 0.000 0.468 1136 H N 3.797 122.559 119.070 -0.514 0.000 3.094 1136 H HA 0.296 4.852 4.556 -0.000 0.000 0.346 1136 H C -2.742 172.402 175.328 -0.306 0.000 1.238 1136 H CA -1.087 54.571 56.048 -0.649 0.000 1.209 1136 H CB 2.019 30.998 29.762 -1.305 0.000 1.911 1136 H HN 0.343 nan 8.280 nan 0.000 0.540 1137 P HA -0.085 nan 4.420 nan 0.000 0.217 1137 P C 0.003 177.273 177.300 -0.051 0.000 1.148 1137 P CA 1.551 64.490 63.100 -0.269 0.000 0.828 1137 P CB 0.224 31.715 31.700 -0.348 0.000 0.783 1138 N N -1.596 117.214 118.700 0.182 0.000 2.328 1138 N HA 0.193 4.933 4.740 -0.000 0.000 0.247 1138 N C -0.995 174.595 175.510 0.133 0.000 1.165 1138 N CA -0.177 52.976 53.050 0.172 0.000 0.873 1138 N CB 0.674 39.267 38.487 0.177 0.000 1.125 1138 N HN -0.098 nan 8.380 nan 0.000 0.513 1139 V N 1.316 121.306 119.914 0.127 0.000 2.638 1139 V HA 0.248 4.368 4.120 -0.000 0.000 0.306 1139 V C -0.493 175.718 176.094 0.196 0.000 1.052 1139 V CA -1.006 61.399 62.300 0.174 0.000 0.885 1139 V CB 2.356 34.256 31.823 0.128 0.000 0.999 1139 V HN 0.082 nan 8.190 nan 0.000 0.424 1140 L N 5.182 126.561 121.223 0.259 0.000 2.615 1140 L HA 0.256 4.596 4.340 -0.000 0.000 0.271 1140 L C 0.623 177.567 176.870 0.123 0.000 1.183 1140 L CA 0.856 55.767 54.840 0.117 0.000 0.933 1140 L CB 0.763 42.831 42.059 0.015 0.000 1.199 1140 L HN 0.848 nan 8.230 nan 0.000 0.487 1141 S N 5.411 121.148 115.700 0.061 0.000 2.520 1141 S HA 0.411 4.881 4.470 -0.000 0.000 0.324 1141 S C -0.375 174.232 174.600 0.012 0.000 1.069 1141 S CA -1.011 57.230 58.200 0.069 0.000 1.121 1141 S CB 0.928 64.155 63.200 0.045 0.000 0.971 1141 S HN 0.603 nan 8.310 nan 0.000 0.463 1142 L N 4.590 125.808 121.223 -0.008 0.000 2.667 1142 L HA 0.109 4.449 4.340 -0.000 0.000 0.278 1142 L C 0.817 177.668 176.870 -0.033 0.000 1.217 1142 L CA 0.428 55.237 54.840 -0.051 0.000 0.935 1142 L CB -0.127 41.880 42.059 -0.087 0.000 1.193 1142 L HN 0.895 nan 8.230 nan 0.000 0.493 1143 L N 4.844 126.046 121.223 -0.035 0.000 2.131 1143 L HA 0.276 4.616 4.340 -0.000 0.000 0.206 1143 L C 1.216 178.062 176.870 -0.040 0.000 1.087 1143 L CA 0.752 55.576 54.840 -0.027 0.000 0.767 1143 L CB -0.630 41.417 42.059 -0.021 0.000 0.917 1143 L HN 0.917 nan 8.230 nan 0.000 0.441 1144 G N -0.369 108.398 108.800 -0.054 0.000 2.313 1144 G HA2 0.361 4.321 3.960 -0.000 0.000 0.296 1144 G HA3 0.361 4.321 3.960 -0.000 0.000 0.296 1144 G C -1.798 173.065 174.900 -0.062 0.000 1.356 1144 G CA -0.532 44.524 45.100 -0.072 0.000 0.833 1144 G HN 0.048 nan 8.290 nan 0.000 0.552 1145 I N -2.557 117.975 120.570 -0.062 0.000 2.646 1145 I HA 0.855 5.025 4.170 -0.000 0.000 0.299 1145 I C -0.449 175.707 176.117 0.065 0.000 1.036 1145 I CA -1.126 60.177 61.300 0.005 0.000 1.074 1145 I CB 2.113 40.066 38.000 -0.078 0.000 1.258 1145 I HN 0.702 nan 8.210 nan 0.000 0.430 1146 C N 5.907 125.288 119.300 0.134 0.000 2.626 1146 C HA 0.825 5.285 4.460 -0.000 0.000 0.310 1146 C C -1.173 173.882 174.990 0.109 0.000 1.191 1146 C CA -0.400 58.676 59.018 0.097 0.000 1.517 1146 C CB 1.488 29.264 27.740 0.061 0.000 2.102 1146 C HN 0.811 nan 8.230 nan 0.000 0.479 1147 L N 5.270 126.530 121.223 0.062 0.000 2.446 1147 L HA 0.757 5.097 4.340 -0.000 0.000 0.268 1147 L C 0.383 177.250 176.870 -0.006 0.000 0.975 1147 L CA 0.118 54.962 54.840 0.008 0.000 0.848 1147 L CB 1.106 43.172 42.059 0.013 0.000 1.225 1147 L HN 0.994 nan 8.230 nan 0.000 0.410 1148 R N 2.816 123.306 120.500 -0.018 0.000 2.541 1148 R HA 0.878 5.217 4.340 -0.000 0.000 0.263 1148 R C 0.612 176.893 176.300 -0.032 0.000 1.112 1148 R CA 0.065 56.156 56.100 -0.015 0.000 1.170 1148 R CB -0.539 29.756 30.300 -0.008 0.000 1.167 1148 R HN 1.029 nan 8.270 nan 0.000 0.582 1149 S N 0.838 116.522 115.700 -0.025 0.000 2.552 1149 S HA 0.330 4.800 4.470 -0.000 0.000 0.289 1149 S C 0.663 175.238 174.600 -0.043 0.000 1.304 1149 S CA 0.747 58.931 58.200 -0.027 0.000 1.063 1149 S CB 0.103 63.296 63.200 -0.012 0.000 0.848 1149 S HN 0.806 nan 8.310 nan 0.000 0.499 1150 E N 0.318 120.481 120.200 -0.061 0.000 3.413 1150 E HA -0.193 4.157 4.350 -0.000 0.000 0.300 1150 E C 0.800 177.337 176.600 -0.104 0.000 0.891 1150 E CA 1.363 57.710 56.400 -0.088 0.000 1.050 1150 E CB -2.065 27.608 29.700 -0.046 0.000 1.534 1150 E HN 2.263 nan 8.360 nan 0.000 0.436 1151 G N 0.299 109.035 108.800 -0.106 0.000 2.248 1151 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.263 1151 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.263 1151 G C 0.031 174.844 174.900 -0.145 0.000 1.082 1151 G CA 0.461 45.480 45.100 -0.136 0.000 0.863 1151 G HN 0.289 nan 8.290 nan 0.000 0.495 1152 S N 1.921 117.557 115.700 -0.106 0.000 2.409 1152 S HA 0.509 4.979 4.470 -0.000 0.000 0.308 1152 S C -1.956 172.588 174.600 -0.093 0.000 1.080 1152 S CA -0.793 57.356 58.200 -0.085 0.000 1.081 1152 S CB 1.638 64.811 63.200 -0.045 0.000 1.009 1152 S HN 0.415 nan 8.310 nan 0.000 0.502 1153 P HA 0.443 nan 4.420 nan 0.000 0.288 1153 P C -1.009 176.294 177.300 0.004 0.000 1.267 1153 P CA -0.560 62.417 63.100 -0.206 0.000 0.815 1153 P CB 0.699 32.014 31.700 -0.643 0.000 0.989 1154 L N 2.569 123.851 121.223 0.098 0.000 2.362 1154 L HA 0.512 4.852 4.340 -0.000 0.000 0.275 1154 L C -0.428 176.549 176.870 0.178 0.000 0.998 1154 L CA -1.142 53.782 54.840 0.140 0.000 0.820 1154 L CB 2.189 44.313 42.059 0.109 0.000 1.270 1154 L HN 0.042 nan 8.230 nan 0.000 0.415 1155 V N 4.037 124.045 119.914 0.158 0.000 2.398 1155 V HA 0.357 4.477 4.120 -0.000 0.000 0.286 1155 V C -0.050 176.076 176.094 0.054 0.000 1.026 1155 V CA -0.616 61.750 62.300 0.109 0.000 0.868 1155 V CB 2.005 33.890 31.823 0.104 0.000 0.982 1155 V HN 0.417 nan 8.190 nan 0.000 0.443 1156 V N 7.262 127.186 119.914 0.017 0.000 2.328 1156 V HA 0.496 4.616 4.120 -0.000 0.000 0.278 1156 V C -0.155 175.928 176.094 -0.017 0.000 1.021 1156 V CA -0.283 62.018 62.300 0.001 0.000 0.838 1156 V CB 1.159 32.977 31.823 -0.008 0.000 0.999 1156 V HN 0.636 nan 8.190 nan 0.000 0.447 1157 L N 6.414 127.631 121.223 -0.010 0.000 2.319 1157 L HA 0.631 4.971 4.340 -0.000 0.000 0.267 1157 L C -2.522 174.350 176.870 0.002 0.000 1.011 1157 L CA -2.277 52.547 54.840 -0.026 0.000 0.818 1157 L CB 2.300 44.327 42.059 -0.053 0.000 1.316 1157 L HN 0.350 nan 8.230 nan 0.000 0.432 1158 P HA -0.040 nan 4.420 nan 0.000 0.268 1158 P C -1.269 176.063 177.300 0.054 0.000 1.205 1158 P CA 0.001 63.120 63.100 0.031 0.000 0.771 1158 P CB 0.201 31.905 31.700 0.007 0.000 0.858 1159 Y N 3.367 123.662 120.300 -0.008 0.000 2.377 1159 Y HA 0.209 4.759 4.550 -0.000 0.000 0.330 1159 Y C 0.110 175.983 175.900 -0.045 0.000 1.108 1159 Y CA 0.141 58.240 58.100 -0.002 0.000 1.308 1159 Y CB 0.383 38.884 38.460 0.068 0.000 1.216 1159 Y HN 0.215 nan 8.280 nan 0.000 0.518 1160 M N 7.653 126.895 119.600 -0.597 0.000 2.103 1160 M HA 0.144 4.624 4.480 -0.000 0.000 0.350 1160 M C 1.039 176.971 176.300 -0.614 0.000 1.100 1160 M CA -0.208 54.819 55.300 -0.455 0.000 1.042 1160 M CB 1.222 33.624 32.600 -0.330 0.000 1.368 1160 M HN 0.820 nan 8.290 nan 0.000 0.404 1161 K N 1.776 121.932 120.400 -0.406 0.000 2.113 1161 K HA -0.177 4.143 4.320 -0.000 0.000 0.208 1161 K C 0.678 177.014 176.600 -0.441 0.000 1.047 1161 K CA 1.857 57.925 56.287 -0.366 0.000 0.928 1161 K CB 0.183 32.442 32.500 -0.401 0.000 0.716 1161 K HN 0.669 nan 8.250 nan 0.000 0.446 1162 H N -1.106 117.857 119.070 -0.178 0.000 2.549 1162 H HA 0.216 4.772 4.556 -0.000 0.000 0.279 1162 H C 0.730 176.033 175.328 -0.042 0.000 1.018 1162 H CA -0.069 55.943 56.048 -0.061 0.000 1.175 1162 H CB 0.880 30.537 29.762 -0.176 0.000 1.485 1162 H HN 0.499 nan 8.280 nan 0.000 0.543 1163 G N 1.444 110.191 108.800 -0.089 0.000 2.562 1163 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.250 1163 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.250 1163 G C -0.383 174.466 174.900 -0.085 0.000 1.269 1163 G CA -0.136 44.904 45.100 -0.100 0.000 0.919 1163 G HN 0.528 nan 8.290 nan 0.000 0.574 1164 D N 0.320 120.691 120.400 -0.049 0.000 2.313 1164 D HA 0.307 4.947 4.640 -0.000 0.000 0.247 1164 D C 1.628 177.934 176.300 0.009 0.000 1.094 1164 D CA -0.247 53.726 54.000 -0.046 0.000 0.925 1164 D CB 1.697 42.473 40.800 -0.041 0.000 1.188 1164 D HN 0.524 nan 8.370 nan 0.000 0.430 1165 L N 2.090 123.294 121.223 -0.032 0.000 2.131 1165 L HA -0.117 4.223 4.340 -0.000 0.000 0.210 1165 L C 2.615 179.540 176.870 0.092 0.000 1.092 1165 L CA 1.516 56.334 54.840 -0.036 0.000 0.759 1165 L CB -0.749 41.254 42.059 -0.092 0.000 0.903 1165 L HN 0.567 nan 8.230 nan 0.000 0.435 1166 R N -0.787 119.768 120.500 0.092 0.000 2.062 1166 R HA -0.134 4.206 4.340 -0.000 0.000 0.231 1166 R C 2.028 178.407 176.300 0.133 0.000 1.136 1166 R CA 1.510 57.683 56.100 0.121 0.000 0.948 1166 R CB -0.199 30.167 30.300 0.110 0.000 0.845 1166 R HN 0.436 nan 8.270 nan 0.000 0.430 1167 N N 0.172 118.946 118.700 0.123 0.000 2.223 1167 N HA -0.182 4.558 4.740 -0.000 0.000 0.185 1167 N C 1.521 177.129 175.510 0.165 0.000 1.016 1167 N CA 1.021 54.141 53.050 0.117 0.000 0.863 1167 N CB -0.312 38.231 38.487 0.094 0.000 0.983 1167 N HN 0.179 nan 8.380 nan 0.000 0.429 1168 F N 2.574 122.577 119.950 0.089 0.000 2.075 1168 F HA -0.110 4.417 4.527 -0.000 0.000 0.297 1168 F C 2.244 178.188 175.800 0.239 0.000 1.113 1168 F CA 1.220 59.327 58.000 0.178 0.000 1.218 1168 F CB -0.299 38.737 39.000 0.060 0.000 0.984 1168 F HN -0.018 nan 8.300 nan 0.000 0.472 1169 I N -1.480 119.254 120.570 0.274 0.000 2.546 1169 I HA -0.109 4.061 4.170 -0.000 0.000 0.255 1169 I C 2.098 178.255 176.117 0.067 0.000 1.163 1169 I CA 1.097 62.506 61.300 0.181 0.000 1.457 1169 I CB -0.665 37.476 38.000 0.235 0.000 1.092 1169 I HN 0.068 nan 8.210 nan 0.000 0.434 1170 R N 1.383 121.917 120.500 0.056 0.000 2.189 1170 R HA 0.034 4.374 4.340 -0.000 0.000 0.218 1170 R C 0.838 177.108 176.300 -0.050 0.000 1.074 1170 R CA 0.137 56.250 56.100 0.021 0.000 0.991 1170 R CB -0.439 29.886 30.300 0.042 0.000 0.883 1170 R HN 0.382 nan 8.270 nan 0.000 0.457 1171 N N 2.465 121.082 118.700 -0.139 0.000 2.434 1171 N HA -0.106 4.634 4.740 -0.000 0.000 0.268 1171 N C 0.758 176.088 175.510 -0.301 0.000 1.256 1171 N CA 0.336 53.201 53.050 -0.308 0.000 0.914 1171 N CB 0.876 38.959 38.487 -0.673 0.000 1.088 1171 N HN 0.345 nan 8.380 nan 0.000 0.478 1172 E N 1.393 121.481 120.200 -0.187 0.000 2.338 1172 E HA -0.164 4.186 4.350 -0.000 0.000 0.197 1172 E C 0.903 177.425 176.600 -0.130 0.000 1.007 1172 E CA 1.309 57.640 56.400 -0.115 0.000 0.849 1172 E CB -0.230 29.430 29.700 -0.067 0.000 0.774 1172 E HN 0.657 nan 8.360 nan 0.000 0.506 1173 T N -2.011 112.410 114.554 -0.223 0.000 3.113 1173 T HA -0.022 4.328 4.350 -0.000 0.000 0.256 1173 T C 0.364 175.015 174.700 -0.081 0.000 1.131 1173 T CA 0.041 62.048 62.100 -0.154 0.000 1.074 1173 T CB -0.560 68.224 68.868 -0.141 0.000 0.944 1173 T HN 0.289 nan 8.240 nan 0.000 0.516 1174 H N 1.198 120.189 119.070 -0.132 0.000 2.481 1174 H HA 0.456 5.012 4.556 -0.000 0.000 0.339 1174 H C -0.020 175.252 175.328 -0.094 0.000 1.131 1174 H CA -1.084 54.861 56.048 -0.173 0.000 1.301 1174 H CB 0.674 30.195 29.762 -0.402 0.000 1.476 1174 H HN 0.122 nan 8.280 nan 0.000 0.529 1175 N N 3.779 122.528 118.700 0.081 0.000 2.757 1175 N HA 0.128 4.868 4.740 -0.000 0.000 0.296 1175 N C -2.672 172.873 175.510 0.059 0.000 1.874 1175 N CA -1.078 52.028 53.050 0.093 0.000 0.885 1175 N CB 1.214 39.782 38.487 0.135 0.000 1.242 1175 N HN 0.525 nan 8.380 nan 0.000 0.488 1176 P HA 0.070 nan 4.420 nan 0.000 0.271 1176 P C 0.312 177.481 177.300 -0.217 0.000 1.218 1176 P CA 0.098 63.137 63.100 -0.101 0.000 0.780 1176 P CB 0.915 32.592 31.700 -0.040 0.000 0.901 1177 T N -2.099 112.258 114.554 -0.328 0.000 2.923 1177 T HA 0.239 4.589 4.350 -0.000 0.000 0.281 1177 T C 1.410 175.906 174.700 -0.340 0.000 0.995 1177 T CA -0.770 61.069 62.100 -0.435 0.000 0.985 1177 T CB 0.365 68.926 68.868 -0.512 0.000 1.114 1177 T HN 0.040 nan 8.240 nan 0.000 0.548 1178 V N 0.981 120.694 119.914 -0.335 0.000 2.332 1178 V HA -0.137 3.982 4.120 -0.000 0.000 0.248 1178 V C 2.848 178.677 176.094 -0.443 0.000 1.055 1178 V CA 2.184 64.246 62.300 -0.397 0.000 1.038 1178 V CB -0.907 30.604 31.823 -0.520 0.000 0.651 1178 V HN 0.991 nan 8.190 nan 0.000 0.450 1179 K N -0.097 120.071 120.400 -0.388 0.000 2.026 1179 K HA -0.234 4.086 4.320 -0.000 0.000 0.208 1179 K C 1.879 178.401 176.600 -0.131 0.000 1.048 1179 K CA 1.969 58.107 56.287 -0.249 0.000 0.929 1179 K CB -0.241 32.126 32.500 -0.223 0.000 0.713 1179 K HN 0.450 nan 8.250 nan 0.000 0.439 1180 D N 0.867 121.102 120.400 -0.275 0.000 2.104 1180 D HA -0.180 4.460 4.640 -0.000 0.000 0.194 1180 D C 2.005 177.881 176.300 -0.707 0.000 0.994 1180 D CA 1.165 54.876 54.000 -0.481 0.000 0.830 1180 D CB -0.179 40.324 40.800 -0.496 0.000 0.959 1180 D HN 0.247 nan 8.370 nan 0.000 0.452 1181 L N 0.360 121.340 121.223 -0.406 0.000 2.072 1181 L HA -0.063 4.277 4.340 -0.000 0.000 0.205 1181 L C 2.559 179.366 176.870 -0.106 0.000 1.079 1181 L CA 0.554 55.267 54.840 -0.212 0.000 0.752 1181 L CB -0.229 41.779 42.059 -0.085 0.000 0.906 1181 L HN 0.003 nan 8.230 nan 0.000 0.436 1182 I N -0.134 120.377 120.570 -0.098 0.000 2.286 1182 I HA -0.213 3.957 4.170 -0.000 0.000 0.248 1182 I C 2.630 178.759 176.117 0.020 0.000 1.115 1182 I CA 1.377 62.686 61.300 0.016 0.000 1.392 1182 I CB -0.925 37.109 38.000 0.056 0.000 1.065 1182 I HN 0.297 nan 8.210 nan 0.000 0.418 1183 G N 0.883 109.657 108.800 -0.045 0.000 2.446 1183 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 1183 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 1183 G C 1.642 176.470 174.900 -0.119 0.000 1.168 1183 G CA 0.616 45.518 45.100 -0.330 0.000 0.771 1183 G HN 0.316 nan 8.290 nan 0.000 0.551 1184 F N 1.232 121.165 119.950 -0.028 0.000 2.126 1184 F HA -0.059 4.468 4.527 -0.000 0.000 0.299 1184 F C 3.027 178.852 175.800 0.043 0.000 1.096 1184 F CA 0.360 58.360 58.000 0.001 0.000 1.255 1184 F CB -0.276 38.737 39.000 0.022 0.000 0.997 1184 F HN 0.252 nan 8.300 nan 0.000 0.479 1185 G N 0.367 109.314 108.800 0.244 0.000 2.418 1185 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.217 1185 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.217 1185 G C 1.497 176.587 174.900 0.317 0.000 1.158 1185 G CA 0.830 46.075 45.100 0.242 0.000 0.771 1185 G HN 0.239 nan 8.290 nan 0.000 0.545 1186 L N 0.534 121.848 121.223 0.151 0.000 2.012 1186 L HA -0.095 4.245 4.340 -0.000 0.000 0.210 1186 L C 2.901 179.807 176.870 0.061 0.000 1.073 1186 L CA 2.108 56.989 54.840 0.068 0.000 0.748 1186 L CB -0.776 41.196 42.059 -0.146 0.000 0.891 1186 L HN 0.336 nan 8.230 nan 0.000 0.431 1187 Q N -1.176 118.659 119.800 0.058 0.000 2.096 1187 Q HA -0.198 4.142 4.340 -0.000 0.000 0.204 1187 Q C 2.181 178.234 176.000 0.088 0.000 0.982 1187 Q CA 1.989 57.835 55.803 0.070 0.000 0.850 1187 Q CB -0.347 28.450 28.738 0.098 0.000 0.901 1187 Q HN 0.492 nan 8.270 nan 0.000 0.422 1188 V N 1.010 121.018 119.914 0.157 0.000 2.343 1188 V HA -0.294 3.826 4.120 -0.000 0.000 0.247 1188 V C 2.314 178.412 176.094 0.006 0.000 1.051 1188 V CA 1.829 64.225 62.300 0.160 0.000 1.036 1188 V CB -1.032 31.002 31.823 0.351 0.000 0.654 1188 V HN 0.402 nan 8.190 nan 0.000 0.451 1189 A N -0.249 122.575 122.820 0.006 0.000 1.908 1189 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 1189 A C 2.296 179.757 177.584 -0.205 0.000 1.181 1189 A CA 2.096 53.958 52.037 -0.291 0.000 0.627 1189 A CB -0.440 18.457 19.000 -0.172 0.000 0.818 1189 A HN 0.567 nan 8.150 nan 0.000 0.445 1190 K N -0.889 119.463 120.400 -0.079 0.000 2.057 1190 K HA -0.082 4.238 4.320 -0.000 0.000 0.207 1190 K C 2.181 178.667 176.600 -0.189 0.000 1.049 1190 K CA 1.061 57.320 56.287 -0.046 0.000 0.931 1190 K CB -0.479 32.068 32.500 0.078 0.000 0.714 1190 K HN 0.463 nan 8.250 nan 0.000 0.440 1191 G N 1.317 110.016 108.800 -0.169 0.000 2.440 1191 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.218 1191 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.218 1191 G C 1.463 176.176 174.900 -0.311 0.000 1.154 1191 G CA 0.716 45.668 45.100 -0.247 0.000 0.767 1191 G HN 0.067 nan 8.290 nan 0.000 0.552 1192 M N 0.430 119.758 119.600 -0.454 0.000 2.254 1192 M HA 0.082 4.562 4.480 -0.000 0.000 0.265 1192 M C 2.277 178.183 176.300 -0.656 0.000 1.066 1192 M CA 0.962 55.792 55.300 -0.783 0.000 1.123 1192 M CB -0.856 30.724 32.600 -1.700 0.000 1.388 1192 M HN 0.305 nan 8.290 nan 0.000 0.425 1193 K N -0.039 120.110 120.400 -0.419 0.000 2.032 1193 K HA -0.224 4.096 4.320 -0.000 0.000 0.209 1193 K C 2.041 178.542 176.600 -0.166 0.000 1.048 1193 K CA 1.567 57.764 56.287 -0.150 0.000 0.927 1193 K CB -0.349 32.117 32.500 -0.057 0.000 0.712 1193 K HN 0.144 nan 8.250 nan 0.000 0.441 1194 F N 1.851 121.558 119.950 -0.405 0.000 2.043 1194 F HA -0.230 4.297 4.527 -0.000 0.000 0.297 1194 F C 1.828 177.397 175.800 -0.384 0.000 1.121 1194 F CA 1.632 59.372 58.000 -0.433 0.000 1.199 1194 F CB -0.396 38.140 39.000 -0.773 0.000 0.968 1194 F HN -0.005 nan 8.300 nan 0.000 0.478 1195 L N -0.071 120.914 121.223 -0.397 0.000 2.079 1195 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 1195 L C 2.776 179.470 176.870 -0.293 0.000 1.081 1195 L CA 1.228 55.816 54.840 -0.419 0.000 0.752 1195 L CB -1.220 40.764 42.059 -0.124 0.000 0.896 1195 L HN 0.311 nan 8.230 nan 0.000 0.433 1196 A N -0.025 122.673 122.820 -0.202 0.000 1.930 1196 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 1196 A C 2.495 179.994 177.584 -0.142 0.000 1.175 1196 A CA 1.789 53.780 52.037 -0.076 0.000 0.627 1196 A CB -0.619 18.427 19.000 0.076 0.000 0.815 1196 A HN 0.524 nan 8.150 nan 0.000 0.443 1197 S N -0.610 114.940 115.700 -0.250 0.000 2.474 1197 S HA -0.055 4.415 4.470 -0.000 0.000 0.235 1197 S C 1.277 175.683 174.600 -0.323 0.000 0.997 1197 S CA 1.078 59.126 58.200 -0.254 0.000 0.949 1197 S CB -0.132 62.911 63.200 -0.262 0.000 0.766 1197 S HN 0.411 nan 8.310 nan 0.000 0.517 1198 K N 1.071 121.188 120.400 -0.473 0.000 2.410 1198 K HA 0.198 4.518 4.320 -0.000 0.000 0.200 1198 K C -0.044 176.472 176.600 -0.140 0.000 1.023 1198 K CA -0.072 55.953 56.287 -0.437 0.000 1.149 1198 K CB 0.057 31.988 32.500 -0.947 0.000 0.859 1198 K HN 0.254 nan 8.250 nan 0.000 0.514 1199 K N 0.107 120.458 120.400 -0.083 0.000 3.088 1199 K HA -0.224 4.096 4.320 -0.000 0.000 0.273 1199 K C -0.172 176.493 176.600 0.107 0.000 1.111 1199 K CA 0.582 56.878 56.287 0.015 0.000 0.803 1199 K CB -2.639 29.877 32.500 0.026 0.000 1.226 1199 K HN 0.227 nan 8.250 nan 0.000 0.485 1200 F N 0.722 120.639 119.950 -0.056 0.000 2.410 1200 F HA 0.386 4.913 4.527 -0.000 0.000 0.349 1200 F C 0.187 176.005 175.800 0.031 0.000 1.117 1200 F CA -1.057 56.961 58.000 0.030 0.000 1.104 1200 F CB 1.124 40.186 39.000 0.103 0.000 1.122 1200 F HN -0.141 nan 8.300 nan 0.000 0.483 1201 V N 7.166 126.697 119.914 -0.638 0.000 2.370 1201 V HA 0.104 4.224 4.120 -0.000 0.000 0.279 1201 V C 1.068 176.665 176.094 -0.828 0.000 1.029 1201 V CA -0.438 61.588 62.300 -0.456 0.000 0.870 1201 V CB 0.969 32.687 31.823 -0.174 0.000 0.984 1201 V HN 0.875 nan 8.190 nan 0.000 0.451 1202 H N 5.153 123.933 119.070 -0.483 0.000 2.333 1202 H HA -0.009 4.547 4.556 -0.000 0.000 0.302 1202 H C 1.609 176.833 175.328 -0.173 0.000 1.075 1202 H CA 2.034 57.914 56.048 -0.280 0.000 1.348 1202 H CB 0.401 30.184 29.762 0.036 0.000 1.393 1202 H HN 0.744 nan 8.280 nan 0.000 0.509 1203 R N -1.102 119.445 120.500 0.078 0.000 3.746 1203 R HA -0.172 4.168 4.340 -0.000 0.000 0.465 1203 R C -0.202 176.131 176.300 0.055 0.000 0.725 1203 R CA 1.413 57.462 56.100 -0.086 0.000 1.545 1203 R CB -1.382 28.617 30.300 -0.501 0.000 2.197 1203 R HN 0.296 nan 8.270 nan 0.000 0.438 1204 D N 0.380 120.984 120.400 0.339 0.000 2.908 1204 D HA 0.152 4.792 4.640 -0.000 0.000 0.361 1204 D C -1.027 175.357 176.300 0.140 0.000 1.416 1204 D CA -0.418 53.719 54.000 0.229 0.000 0.796 1204 D CB 0.310 41.201 40.800 0.151 0.000 1.185 1204 D HN 0.004 nan 8.370 nan 0.000 0.451 1205 L N 1.677 122.921 121.223 0.035 0.000 2.477 1205 L HA 0.560 4.900 4.340 -0.000 0.000 0.272 1205 L C -0.439 176.435 176.870 0.007 0.000 1.157 1205 L CA 0.311 55.072 54.840 -0.132 0.000 0.889 1205 L CB 0.347 42.410 42.059 0.007 0.000 1.158 1205 L HN 0.197 nan 8.230 nan 0.000 0.473 1206 A N 3.910 126.686 122.820 -0.073 0.000 2.597 1206 A HA 0.685 5.005 4.320 -0.000 0.000 0.292 1206 A C 0.453 178.040 177.584 0.005 0.000 1.057 1206 A CA -0.153 51.806 52.037 -0.131 0.000 0.674 1206 A CB 0.370 18.914 19.000 -0.759 0.000 1.278 1206 A HN 1.008 nan 8.150 nan 0.000 0.416 1207 A N 0.819 123.713 122.820 0.125 0.000 1.940 1207 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 1207 A C 1.949 179.557 177.584 0.041 0.000 1.176 1207 A CA 2.046 54.149 52.037 0.109 0.000 0.631 1207 A CB -0.642 18.462 19.000 0.173 0.000 0.814 1207 A HN 1.152 nan 8.150 nan 0.000 0.446 1208 R N -0.769 119.733 120.500 0.003 0.000 2.200 1208 R HA -0.065 4.275 4.340 -0.000 0.000 0.234 1208 R C 0.423 176.712 176.300 -0.019 0.000 1.127 1208 R CA 1.636 57.728 56.100 -0.014 0.000 0.989 1208 R CB -0.453 29.819 30.300 -0.047 0.000 0.869 1208 R HN 0.362 nan 8.270 nan 0.000 0.459 1209 N N -0.147 118.542 118.700 -0.017 0.000 2.230 1209 N HA 0.117 4.857 4.740 -0.000 0.000 0.202 1209 N C -0.747 174.787 175.510 0.041 0.000 1.119 1209 N CA -0.041 53.028 53.050 0.032 0.000 0.851 1209 N CB 0.579 39.114 38.487 0.080 0.000 0.990 1209 N HN 0.152 nan 8.380 nan 0.000 0.497 1210 C N 1.038 120.342 119.300 0.006 0.000 2.435 1210 C HA 0.624 5.084 4.460 -0.000 0.000 0.333 1210 C C 0.139 175.094 174.990 -0.058 0.000 1.202 1210 C CA -0.827 58.190 59.018 -0.002 0.000 1.830 1210 C CB 1.331 29.074 27.740 0.006 0.000 2.326 1210 C HN 0.167 nan 8.230 nan 0.000 0.507 1211 M N 2.161 121.713 119.600 -0.081 0.000 2.690 1211 M HA 0.605 5.085 4.480 -0.000 0.000 0.302 1211 M C -0.999 175.195 176.300 -0.177 0.000 1.234 1211 M CA -0.540 54.679 55.300 -0.134 0.000 0.853 1211 M CB 1.572 34.085 32.600 -0.144 0.000 1.748 1211 M HN 0.493 nan 8.290 nan 0.000 0.469 1212 L N 2.064 123.154 121.223 -0.222 0.000 2.356 1212 L HA 0.361 4.701 4.340 -0.000 0.000 0.277 1212 L C -0.628 176.121 176.870 -0.202 0.000 0.996 1212 L CA -0.644 54.032 54.840 -0.274 0.000 0.822 1212 L CB 1.985 43.741 42.059 -0.505 0.000 1.256 1212 L HN 0.753 nan 8.230 nan 0.000 0.413 1213 D N 2.149 122.447 120.400 -0.170 0.000 2.506 1213 D HA 0.027 4.667 4.640 -0.000 0.000 0.272 1213 D C 0.865 177.043 176.300 -0.203 0.000 1.214 1213 D CA -0.428 53.474 54.000 -0.163 0.000 1.067 1213 D CB 0.505 41.239 40.800 -0.110 0.000 1.117 1213 D HN 0.581 nan 8.370 nan 0.000 0.578 1214 E N -0.077 119.992 120.200 -0.218 0.000 2.338 1214 E HA -0.212 4.138 4.350 -0.000 0.000 0.197 1214 E C 0.655 177.032 176.600 -0.372 0.000 1.007 1214 E CA 0.901 57.127 56.400 -0.291 0.000 0.849 1214 E CB -0.253 29.341 29.700 -0.176 0.000 0.774 1214 E HN 0.467 nan 8.360 nan 0.000 0.506 1215 K N -0.027 120.229 120.400 -0.242 0.000 2.410 1215 K HA 0.123 4.443 4.320 -0.000 0.000 0.200 1215 K C -0.511 176.094 176.600 0.009 0.000 1.023 1215 K CA -0.163 56.059 56.287 -0.108 0.000 1.149 1215 K CB -0.135 32.359 32.500 -0.009 0.000 0.859 1215 K HN 0.036 nan 8.250 nan 0.000 0.514 1216 F N 0.341 120.305 119.950 0.024 0.000 3.093 1216 F HA -0.255 4.272 4.527 -0.000 0.000 0.287 1216 F C -0.073 175.727 175.800 -0.001 0.000 0.882 1216 F CA 0.321 58.298 58.000 -0.039 0.000 1.063 1216 F CB -2.518 36.506 39.000 0.040 0.000 1.097 1216 F HN -0.093 nan 8.300 nan 0.000 0.604 1217 T N 1.123 115.710 114.554 0.055 0.000 2.780 1217 T HA 0.524 4.874 4.350 -0.000 0.000 0.294 1217 T C 0.471 175.155 174.700 -0.028 0.000 0.949 1217 T CA -0.556 61.566 62.100 0.037 0.000 1.074 1217 T CB 1.534 70.406 68.868 0.006 0.000 0.910 1217 T HN 0.043 nan 8.240 nan 0.000 0.501 1218 V N 5.180 125.089 119.914 -0.008 0.000 2.583 1218 V HA 0.301 4.421 4.120 -0.000 0.000 0.287 1218 V C 0.287 176.375 176.094 -0.009 0.000 1.051 1218 V CA -0.475 61.790 62.300 -0.057 0.000 1.010 1218 V CB 0.677 32.484 31.823 -0.027 0.000 0.988 1218 V HN 0.670 nan 8.190 nan 0.000 0.478 1219 K N 3.811 124.201 120.400 -0.018 0.000 2.450 1219 K HA 0.441 4.761 4.320 -0.000 0.000 0.257 1219 K C -0.885 175.758 176.600 0.072 0.000 0.953 1219 K CA -0.717 55.591 56.287 0.034 0.000 0.844 1219 K CB 1.913 34.422 32.500 0.015 0.000 1.103 1219 K HN 0.407 nan 8.250 nan 0.000 0.429 1220 V N 2.721 122.705 119.914 0.117 0.000 2.540 1220 V HA 0.148 4.268 4.120 -0.000 0.000 0.297 1220 V C 0.790 177.106 176.094 0.370 0.000 1.024 1220 V CA 0.305 62.711 62.300 0.177 0.000 1.105 1220 V CB 0.347 32.243 31.823 0.122 0.000 0.938 1220 V HN 0.930 nan 8.190 nan 0.000 0.482 1221 A N 3.710 126.745 122.820 0.359 0.000 3.458 1221 A HA 0.693 5.013 4.320 -0.000 0.000 0.205 1221 A C 0.416 178.281 177.584 0.468 0.000 1.060 1221 A CA 0.087 52.314 52.037 0.317 0.000 0.829 1221 A CB 0.139 19.169 19.000 0.051 0.000 1.419 1221 A HN 0.937 nan 8.150 nan 0.000 0.644 1222 D N -1.810 118.702 120.400 0.188 0.000 2.735 1222 D HA -0.128 4.512 4.640 -0.000 0.000 0.235 1222 D C -0.452 176.006 176.300 0.263 0.000 1.175 1222 D CA 1.624 55.783 54.000 0.264 0.000 0.683 1222 D CB -1.694 39.314 40.800 0.346 0.000 1.008 1222 D HN 1.244 nan 8.370 nan 0.000 0.416 1223 F N -2.284 117.711 119.950 0.074 0.000 2.662 1223 F HA 0.722 5.248 4.527 -0.000 0.000 0.312 1223 F C 1.225 176.996 175.800 -0.048 0.000 1.113 1223 F CA -0.104 57.890 58.000 -0.011 0.000 0.951 1223 F CB 0.866 39.859 39.000 -0.011 0.000 1.344 1223 F HN 0.234 nan 8.300 nan 0.000 0.462 1224 G N 1.250 110.126 108.800 0.126 0.000 2.651 1224 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.315 1224 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.315 1224 G C 0.609 175.443 174.900 -0.110 0.000 1.258 1224 G CA 0.617 45.677 45.100 -0.068 0.000 1.002 1224 G HN 1.048 nan 8.290 nan 0.000 0.551 1225 L N 1.317 122.434 121.223 -0.177 0.000 2.465 1225 L HA 0.219 4.559 4.340 -0.000 0.000 0.224 1225 L C 3.075 179.917 176.870 -0.046 0.000 1.145 1225 L CA 1.312 56.087 54.840 -0.109 0.000 0.834 1225 L CB -0.407 41.559 42.059 -0.155 0.000 0.944 1225 L HN 0.677 nan 8.230 nan 0.000 0.451 1226 A N -0.520 122.231 122.820 -0.114 0.000 2.275 1226 A HA 0.042 4.362 4.320 -0.000 0.000 0.212 1226 A C 1.087 178.755 177.584 0.141 0.000 1.201 1226 A CA -0.266 51.765 52.037 -0.010 0.000 0.843 1226 A CB -0.158 18.739 19.000 -0.172 0.000 0.873 1226 A HN 0.167 nan 8.150 nan 0.000 0.492 1227 R N 1.427 121.980 120.500 0.088 0.000 2.502 1227 R HA 0.304 4.644 4.340 -0.000 0.000 0.292 1227 R C -0.954 175.445 176.300 0.166 0.000 0.998 1227 R CA 0.626 56.810 56.100 0.140 0.000 1.056 1227 R CB -0.247 30.116 30.300 0.106 0.000 0.939 1227 R HN 0.378 nan 8.270 nan 0.000 0.411 1228 D N 2.234 122.646 120.400 0.020 0.000 2.769 1228 D HA 0.206 4.846 4.640 -0.000 0.000 0.309 1228 D C -1.192 174.837 176.300 -0.453 0.000 1.315 1228 D CA -0.520 53.274 54.000 -0.344 0.000 0.780 1228 D CB 0.882 41.179 40.800 -0.839 0.000 1.312 1228 D HN 0.286 nan 8.370 nan 0.000 0.437 1229 M N 2.010 121.212 119.600 -0.664 0.000 2.088 1229 M HA 0.339 4.819 4.480 -0.000 0.000 0.346 1229 M C -0.657 175.355 176.300 -0.481 0.000 1.111 1229 M CA -0.281 54.704 55.300 -0.526 0.000 1.017 1229 M CB -0.017 32.140 32.600 -0.740 0.000 1.568 1229 M HN 0.329 nan 8.290 nan 0.000 0.445 1245 L N 2.014 123.267 121.223 0.050 0.000 2.506 1245 L HA 0.256 4.596 4.340 -0.000 0.000 0.281 1245 L C -1.165 175.770 176.870 0.108 0.000 1.228 1245 L CA -1.420 53.466 54.840 0.077 0.000 0.850 1245 L CB 0.916 43.044 42.059 0.115 0.000 1.110 1245 L HN 0.480 nan 8.230 nan 0.000 0.496 1246 P HA 0.020 nan 4.420 nan 0.000 0.225 1246 P C 0.922 178.432 177.300 0.350 0.000 1.813 1246 P CA -0.217 63.015 63.100 0.220 0.000 1.013 1246 P CB 0.076 31.848 31.700 0.120 0.000 1.961 1247 V N 0.261 120.321 119.914 0.243 0.000 2.469 1247 V HA -0.230 3.890 4.120 -0.000 0.000 0.251 1247 V C 1.824 178.002 176.094 0.140 0.000 1.064 1247 V CA 1.377 63.768 62.300 0.151 0.000 1.066 1247 V CB -1.269 30.586 31.823 0.053 0.000 0.667 1247 V HN 0.151 nan 8.190 nan 0.000 0.461 1248 K N -1.079 119.454 120.400 0.223 0.000 2.432 1248 K HA 0.022 4.342 4.320 -0.000 0.000 0.196 1248 K C 1.676 178.280 176.600 0.006 0.000 1.038 1248 K CA 1.097 57.409 56.287 0.042 0.000 0.986 1248 K CB -0.103 32.349 32.500 -0.080 0.000 0.782 1248 K HN 0.657 nan 8.250 nan 0.000 0.485 1249 W N 0.492 121.921 121.300 0.214 0.000 3.220 1249 W HA 0.236 4.896 4.660 -0.000 0.000 0.328 1249 W C 0.232 176.939 176.519 0.313 0.000 1.205 1249 W CA -0.319 57.208 57.345 0.304 0.000 1.773 1249 W CB 0.232 29.846 29.460 0.257 0.000 1.086 1249 W HN -0.014 nan 8.180 nan 0.000 0.622 1250 M N 0.541 120.308 119.600 0.278 0.000 2.233 1250 M HA 0.382 4.862 4.480 -0.000 0.000 0.355 1250 M C 0.620 176.534 176.300 -0.643 0.000 1.191 1250 M CA -0.277 55.028 55.300 0.008 0.000 1.101 1250 M CB 1.306 33.928 32.600 0.038 0.000 1.592 1250 M HN -0.271 nan 8.290 nan 0.000 0.461 1251 A N 3.007 125.334 122.820 -0.822 0.000 2.466 1251 A HA 0.178 4.498 4.320 -0.000 0.000 0.238 1251 A C 1.118 178.086 177.584 -1.027 0.000 1.074 1251 A CA -0.323 50.845 52.037 -1.448 0.000 0.774 1251 A CB 0.190 18.886 19.000 -0.506 0.000 1.015 1251 A HN 1.080 nan 8.150 nan 0.000 0.498 1252 L N 0.575 121.119 121.223 -1.133 0.000 2.021 1252 L HA -0.230 4.110 4.340 -0.000 0.000 0.215 1252 L C 2.888 179.551 176.870 -0.346 0.000 1.074 1252 L CA 2.199 56.709 54.840 -0.550 0.000 0.760 1252 L CB -0.361 41.513 42.059 -0.309 0.000 0.889 1252 L HN 1.031 nan 8.230 nan 0.000 0.433 1253 E N -0.685 119.340 120.200 -0.291 0.000 2.153 1253 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 1253 E C 1.925 178.358 176.600 -0.279 0.000 0.988 1253 E CA 1.685 57.956 56.400 -0.215 0.000 0.811 1253 E CB -0.336 29.278 29.700 -0.143 0.000 0.746 1253 E HN 0.399 nan 8.360 nan 0.000 0.466 1254 S N 1.116 116.583 115.700 -0.389 0.000 2.406 1254 S HA 0.054 4.524 4.470 -0.000 0.000 0.228 1254 S C 2.129 176.479 174.600 -0.415 0.000 1.020 1254 S CA 0.687 58.550 58.200 -0.562 0.000 0.965 1254 S CB -0.215 62.516 63.200 -0.782 0.000 0.798 1254 S HN 0.200 nan 8.310 nan 0.000 0.488 1255 L N 1.058 122.093 121.223 -0.313 0.000 2.141 1255 L HA -0.126 4.213 4.340 -0.000 0.000 0.209 1255 L C 2.540 179.314 176.870 -0.159 0.000 1.094 1255 L CA 1.146 55.864 54.840 -0.204 0.000 0.763 1255 L CB -0.366 41.571 42.059 -0.203 0.000 0.908 1255 L HN 0.351 nan 8.230 nan 0.000 0.437 1256 Q N -1.283 118.413 119.800 -0.173 0.000 2.259 1256 Q HA -0.053 4.287 4.340 -0.000 0.000 0.201 1256 Q C 1.994 177.927 176.000 -0.112 0.000 0.938 1256 Q CA 1.578 57.307 55.803 -0.124 0.000 0.872 1256 Q CB 0.258 28.927 28.738 -0.114 0.000 0.971 1256 Q HN 0.528 nan 8.270 nan 0.000 0.494 1257 T N -3.048 111.419 114.554 -0.145 0.000 3.010 1257 T HA 0.068 4.418 4.350 -0.000 0.000 0.257 1257 T C 0.544 175.167 174.700 -0.128 0.000 1.020 1257 T CA -0.200 61.829 62.100 -0.119 0.000 0.938 1257 T CB 0.516 69.316 68.868 -0.114 0.000 1.049 1257 T HN 0.060 nan 8.240 nan 0.000 0.522 1258 Q N -0.482 119.201 119.800 -0.195 0.000 2.452 1258 Q HA -0.152 4.187 4.340 -0.000 0.000 0.248 1258 Q C 0.180 176.041 176.000 -0.233 0.000 0.874 1258 Q CA 1.675 57.371 55.803 -0.178 0.000 1.208 1258 Q CB -2.744 25.990 28.738 -0.007 0.000 1.569 1258 Q HN 0.917 nan 8.270 nan 0.000 0.579 1259 K N 0.489 120.678 120.400 -0.352 0.000 2.159 1259 K HA 0.737 5.057 4.320 -0.000 0.000 0.266 1259 K C -0.595 175.728 176.600 -0.460 0.000 0.975 1259 K CA -0.183 55.968 56.287 -0.227 0.000 0.865 1259 K CB 0.769 33.205 32.500 -0.107 0.000 1.087 1259 K HN 0.082 nan 8.250 nan 0.000 0.446 1260 F N 0.814 120.760 119.950 -0.008 0.000 2.520 1260 F HA 0.669 5.195 4.527 -0.000 0.000 0.322 1260 F C 0.950 176.751 175.800 0.000 0.000 1.103 1260 F CA -0.368 57.633 58.000 0.001 0.000 0.926 1260 F CB 3.001 42.002 39.000 0.002 0.000 1.154 1260 F HN 0.741 nan 8.300 nan 0.000 0.453 1261 T N -2.780 111.878 114.554 0.174 0.000 2.838 1261 T HA 0.295 4.645 4.350 -0.000 0.000 0.292 1261 T C 0.612 175.395 174.700 0.137 0.000 1.113 1261 T CA -0.586 61.581 62.100 0.112 0.000 1.008 1261 T CB 1.386 70.292 68.868 0.063 0.000 1.259 1261 T HN 0.409 nan 8.240 nan 0.000 0.520 1262 T N 0.921 115.542 114.554 0.112 0.000 2.759 1262 T HA -0.062 4.288 4.350 -0.000 0.000 0.269 1262 T C 1.761 176.544 174.700 0.139 0.000 1.042 1262 T CA 1.042 63.241 62.100 0.165 0.000 1.140 1262 T CB -0.277 68.675 68.868 0.140 0.000 0.864 1262 T HN 0.473 nan 8.240 nan 0.000 0.455 1263 K N 1.592 122.039 120.400 0.079 0.000 2.211 1263 K HA 0.018 4.338 4.320 -0.000 0.000 0.203 1263 K C 2.675 179.368 176.600 0.155 0.000 1.050 1263 K CA 1.181 57.503 56.287 0.059 0.000 0.945 1263 K CB -0.512 32.011 32.500 0.038 0.000 0.732 1263 K HN 0.561 nan 8.250 nan 0.000 0.451 1264 S N 0.738 116.546 115.700 0.179 0.000 2.436 1264 S HA -0.070 4.400 4.470 -0.000 0.000 0.228 1264 S C 1.460 176.281 174.600 0.367 0.000 1.014 1264 S CA 0.699 59.042 58.200 0.240 0.000 0.950 1264 S CB -0.022 63.255 63.200 0.127 0.000 0.784 1264 S HN 0.080 nan 8.310 nan 0.000 0.504 1265 D N 1.816 122.432 120.400 0.359 0.000 2.144 1265 D HA -0.029 4.611 4.640 -0.000 0.000 0.199 1265 D C 2.048 178.685 176.300 0.562 0.000 0.984 1265 D CA 0.874 55.156 54.000 0.469 0.000 0.834 1265 D CB -0.477 40.622 40.800 0.498 0.000 0.955 1265 D HN 0.313 nan 8.370 nan 0.000 0.465 1266 V N 0.784 120.864 119.914 0.276 0.000 2.343 1266 V HA -0.205 3.915 4.120 -0.000 0.000 0.247 1266 V C 2.170 178.467 176.094 0.338 0.000 1.051 1266 V CA 1.235 63.551 62.300 0.026 0.000 1.036 1266 V CB -0.441 31.192 31.823 -0.317 0.000 0.654 1266 V HN 0.390 nan 8.190 nan 0.000 0.451 1267 W N 1.225 122.671 121.300 0.243 0.000 2.317 1267 W HA -0.237 4.423 4.660 -0.000 0.000 0.318 1267 W C 2.591 179.406 176.519 0.494 0.000 1.227 1267 W CA 2.351 59.933 57.345 0.394 0.000 1.269 1267 W CB -0.721 28.944 29.460 0.343 0.000 1.155 1267 W HN 0.330 nan 8.180 nan 0.000 0.484 1268 S N 0.545 116.741 115.700 0.827 0.000 2.370 1268 S HA -0.254 4.215 4.470 -0.000 0.000 0.226 1268 S C 1.631 176.617 174.600 0.644 0.000 1.033 1268 S CA 1.692 60.346 58.200 0.755 0.000 1.011 1268 S CB -1.159 62.422 63.200 0.635 0.000 0.852 1268 S HN 0.360 nan 8.310 nan 0.000 0.457 1269 F N 2.454 122.674 119.950 0.449 0.000 2.126 1269 F HA -0.105 4.421 4.527 -0.000 0.000 0.299 1269 F C 2.323 178.280 175.800 0.261 0.000 1.096 1269 F CA 1.380 59.600 58.000 0.367 0.000 1.255 1269 F CB -0.811 38.463 39.000 0.456 0.000 0.997 1269 F HN 0.253 nan 8.300 nan 0.000 0.479 1270 G N -0.095 108.760 108.800 0.091 0.000 2.440 1270 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.218 1270 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.218 1270 G C 1.659 176.660 174.900 0.169 0.000 1.154 1270 G CA 1.238 46.192 45.100 -0.243 0.000 0.767 1270 G HN 0.354 nan 8.290 nan 0.000 0.552 1271 V N 0.774 120.981 119.914 0.489 0.000 2.358 1271 V HA -0.109 4.011 4.120 -0.000 0.000 0.246 1271 V C 2.670 178.963 176.094 0.331 0.000 1.047 1271 V CA 1.552 64.070 62.300 0.363 0.000 1.035 1271 V CB -0.444 31.406 31.823 0.046 0.000 0.658 1271 V HN 0.402 nan 8.190 nan 0.000 0.452 1272 L N -0.595 120.821 121.223 0.322 0.000 2.042 1272 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 1272 L C 2.343 179.254 176.870 0.069 0.000 1.076 1272 L CA 1.690 56.679 54.840 0.248 0.000 0.749 1272 L CB -0.191 41.983 42.059 0.192 0.000 0.893 1272 L HN 0.246 nan 8.230 nan 0.000 0.432 1273 L N -1.665 119.467 121.223 -0.151 0.000 2.042 1273 L HA -0.273 4.067 4.340 -0.000 0.000 0.210 1273 L C 2.351 179.263 176.870 0.071 0.000 1.076 1273 L CA 1.837 56.594 54.840 -0.138 0.000 0.749 1273 L CB -0.708 41.180 42.059 -0.285 0.000 0.893 1273 L HN 0.511 nan 8.230 nan 0.000 0.432 1274 W N 1.385 122.692 121.300 0.012 0.000 2.358 1274 W HA -0.197 4.463 4.660 -0.000 0.000 0.303 1274 W C 2.453 178.994 176.519 0.036 0.000 1.208 1274 W CA 1.702 59.087 57.345 0.066 0.000 1.274 1274 W CB 0.008 29.545 29.460 0.127 0.000 1.138 1274 W HN 0.097 nan 8.180 nan 0.000 0.515 1275 E N 0.175 120.570 120.200 0.326 0.000 2.058 1275 E HA -0.284 4.066 4.350 -0.000 0.000 0.194 1275 E C 2.192 178.820 176.600 0.046 0.000 0.997 1275 E CA 1.825 58.337 56.400 0.188 0.000 0.801 1275 E CB -0.755 29.140 29.700 0.324 0.000 0.746 1275 E HN 0.355 nan 8.360 nan 0.000 0.450 1276 L N 0.273 121.541 121.223 0.074 0.000 1.989 1276 L HA -0.226 4.114 4.340 -0.000 0.000 0.211 1276 L C 2.468 179.333 176.870 -0.008 0.000 1.071 1276 L CA 0.933 55.816 54.840 0.072 0.000 0.749 1276 L CB -0.309 41.806 42.059 0.092 0.000 0.890 1276 L HN 0.249 nan 8.230 nan 0.000 0.431 1277 M N -0.877 118.672 119.600 -0.085 0.000 2.476 1277 M HA -0.047 4.433 4.480 -0.000 0.000 0.262 1277 M C 2.072 178.275 176.300 -0.161 0.000 1.079 1277 M CA 1.350 56.580 55.300 -0.116 0.000 1.104 1277 M CB -1.461 31.070 32.600 -0.114 0.000 1.409 1277 M HN 0.381 nan 8.290 nan 0.000 0.467 1278 T N -3.174 111.206 114.554 -0.290 0.000 3.086 1278 T HA 0.236 4.586 4.350 -0.000 0.000 0.250 1278 T C 0.723 175.374 174.700 -0.083 0.000 1.074 1278 T CA -0.331 61.610 62.100 -0.266 0.000 0.988 1278 T CB -0.100 68.349 68.868 -0.698 0.000 0.988 1278 T HN 0.424 nan 8.240 nan 0.000 0.530 1279 R N 0.743 121.217 120.500 -0.043 0.000 3.333 1279 R HA -0.144 4.196 4.340 -0.000 0.000 0.256 1279 R C 0.991 177.316 176.300 0.041 0.000 1.010 1279 R CA 0.398 56.513 56.100 0.025 0.000 0.680 1279 R CB -2.279 28.039 30.300 0.030 0.000 1.102 1279 R HN 0.940 nan 8.270 nan 0.000 0.440 1280 G N -1.683 107.138 108.800 0.034 0.000 2.149 1280 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.235 1280 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.235 1280 G C 0.249 175.190 174.900 0.068 0.000 1.018 1280 G CA 0.134 45.284 45.100 0.084 0.000 0.728 1280 G HN 0.869 nan 8.290 nan 0.000 0.508 1281 A N 0.628 123.424 122.820 -0.040 0.000 2.445 1281 A HA 0.639 4.959 4.320 -0.000 0.000 0.242 1281 A C -1.112 176.516 177.584 0.074 0.000 1.075 1281 A CA -0.483 51.485 52.037 -0.115 0.000 0.777 1281 A CB 0.266 18.870 19.000 -0.661 0.000 1.013 1281 A HN 0.308 nan 8.150 nan 0.000 0.493 1282 P HA 0.234 nan 4.420 nan 0.000 0.276 1282 P C -2.696 174.604 177.300 0.000 0.000 1.235 1282 P CA -1.210 61.956 63.100 0.110 0.000 0.772 1282 P CB 0.238 31.995 31.700 0.096 0.000 0.871 1283 P HA 0.022 nan 4.420 nan 0.000 0.272 1283 P C -0.479 176.513 177.300 -0.513 0.000 1.223 1283 P CA -0.015 62.630 63.100 -0.759 0.000 0.784 1283 P CB -0.042 31.027 31.700 -1.051 0.000 0.923 1284 Y N -0.521 119.447 120.300 -0.553 0.000 3.001 1284 Y HA -0.181 4.369 4.550 -0.000 0.000 0.199 1284 Y C -1.222 174.522 175.900 -0.259 0.000 1.320 1284 Y CA -0.241 57.609 58.100 -0.416 0.000 0.974 1284 Y CB -2.930 35.219 38.460 -0.518 0.000 1.291 1284 Y HN 0.439 nan 8.280 nan 0.000 0.465 1285 P HA -0.214 nan 4.420 nan 0.000 0.218 1285 P C 1.008 178.314 177.300 0.011 0.000 1.154 1285 P CA 2.354 65.462 63.100 0.013 0.000 0.872 1285 P CB 0.117 31.871 31.700 0.091 0.000 0.790 1286 D N -2.253 118.143 120.400 -0.006 0.000 2.388 1286 D HA 0.069 4.709 4.640 -0.000 0.000 0.221 1286 D C -0.162 176.093 176.300 -0.076 0.000 1.133 1286 D CA -0.186 53.807 54.000 -0.013 0.000 0.831 1286 D CB -0.443 40.371 40.800 0.023 0.000 0.962 1286 D HN -0.017 nan 8.370 nan 0.000 0.502 1287 V N 1.534 121.358 119.914 -0.149 0.000 2.394 1287 V HA 0.148 4.268 4.120 -0.000 0.000 0.282 1287 V C 0.460 176.456 176.094 -0.164 0.000 1.031 1287 V CA -1.083 61.061 62.300 -0.260 0.000 0.881 1287 V CB 1.360 32.828 31.823 -0.593 0.000 0.982 1287 V HN 0.204 nan 8.190 nan 0.000 0.451 1288 N N 3.445 122.074 118.700 -0.118 0.000 2.412 1288 N HA -0.037 4.703 4.740 -0.000 0.000 0.279 1288 N C 1.396 176.853 175.510 -0.087 0.000 1.287 1288 N CA 0.501 53.507 53.050 -0.072 0.000 0.948 1288 N CB 1.072 39.534 38.487 -0.042 0.000 1.255 1288 N HN 0.765 nan 8.380 nan 0.000 0.485 1289 T N 2.773 117.285 114.554 -0.070 0.000 2.701 1289 T HA -0.275 4.075 4.350 -0.000 0.000 0.265 1289 T C 1.572 176.240 174.700 -0.053 0.000 1.032 1289 T CA 2.368 64.433 62.100 -0.058 0.000 1.158 1289 T CB -0.565 68.301 68.868 -0.004 0.000 0.854 1289 T HN 0.599 nan 8.240 nan 0.000 0.463 1290 F N 0.224 120.152 119.950 -0.036 0.000 2.802 1290 F HA 0.380 4.907 4.527 -0.000 0.000 0.302 1290 F C 1.832 177.610 175.800 -0.037 0.000 1.211 1290 F CA 1.249 59.232 58.000 -0.028 0.000 1.431 1290 F CB -1.210 37.781 39.000 -0.015 0.000 1.114 1290 F HN 0.567 nan 8.300 nan 0.000 0.567 1291 D N -1.311 119.055 120.400 -0.056 0.000 2.602 1291 D HA 0.363 5.003 4.640 -0.000 0.000 0.265 1291 D C 1.352 177.612 176.300 -0.067 0.000 1.454 1291 D CA 0.556 54.526 54.000 -0.049 0.000 0.795 1291 D CB -0.743 40.040 40.800 -0.028 0.000 1.140 1291 D HN 0.275 nan 8.370 nan 0.000 0.486 1292 I N 0.573 121.069 120.570 -0.124 0.000 2.361 1292 I HA -0.130 4.040 4.170 -0.000 0.000 0.251 1292 I C 2.466 178.509 176.117 -0.123 0.000 1.133 1292 I CA 2.209 63.392 61.300 -0.196 0.000 1.413 1292 I CB -0.085 37.728 38.000 -0.311 0.000 1.073 1292 I HN 0.233 nan 8.210 nan 0.000 0.424 1293 T N -0.345 114.148 114.554 -0.101 0.000 2.708 1293 T HA -0.153 4.197 4.350 -0.000 0.000 0.266 1293 T C 2.015 176.685 174.700 -0.050 0.000 1.037 1293 T CA 1.787 63.834 62.100 -0.088 0.000 1.146 1293 T CB -0.489 68.325 68.868 -0.089 0.000 0.865 1293 T HN 0.202 nan 8.240 nan 0.000 0.435 1294 V N 0.436 120.333 119.914 -0.029 0.000 2.343 1294 V HA -0.190 3.930 4.120 -0.000 0.000 0.247 1294 V C 2.010 178.105 176.094 0.000 0.000 1.051 1294 V CA 1.675 63.967 62.300 -0.014 0.000 1.036 1294 V CB -0.722 31.099 31.823 -0.003 0.000 0.654 1294 V HN 0.495 nan 8.190 nan 0.000 0.451 1295 Y N 0.467 120.700 120.300 -0.112 0.000 2.097 1295 Y HA -0.244 4.306 4.550 -0.000 0.000 0.282 1295 Y C 2.262 178.097 175.900 -0.108 0.000 1.152 1295 Y CA 1.840 59.869 58.100 -0.119 0.000 1.136 1295 Y CB -0.272 38.080 38.460 -0.180 0.000 0.975 1295 Y HN 0.130 nan 8.280 nan 0.000 0.498 1296 L N -0.415 120.803 121.223 -0.008 0.000 2.042 1296 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 1296 L C 2.352 179.181 176.870 -0.069 0.000 1.076 1296 L CA 1.361 56.177 54.840 -0.041 0.000 0.749 1296 L CB -0.690 41.379 42.059 0.016 0.000 0.893 1296 L HN 0.286 nan 8.230 nan 0.000 0.432 1297 L N -0.711 120.476 121.223 -0.061 0.000 2.456 1297 L HA -0.161 4.178 4.340 -0.000 0.000 0.224 1297 L C 2.368 179.194 176.870 -0.073 0.000 1.148 1297 L CA 0.591 55.400 54.840 -0.053 0.000 0.825 1297 L CB -0.362 41.671 42.059 -0.043 0.000 0.937 1297 L HN 0.358 nan 8.230 nan 0.000 0.450 1298 Q N 0.175 119.904 119.800 -0.119 0.000 2.437 1298 Q HA -0.020 4.320 4.340 -0.000 0.000 0.210 1298 Q C 1.088 177.011 176.000 -0.128 0.000 0.972 1298 Q CA 0.728 56.450 55.803 -0.133 0.000 0.903 1298 Q CB 0.148 28.773 28.738 -0.190 0.000 0.967 1298 Q HN 0.575 nan 8.270 nan 0.000 0.486 1299 G N 0.816 109.543 108.800 -0.123 0.000 2.327 1299 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.159 1299 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.159 1299 G C -0.607 174.228 174.900 -0.109 0.000 1.056 1299 G CA -0.629 44.417 45.100 -0.089 0.000 0.751 1299 G HN 0.103 nan 8.290 nan 0.000 0.488 1300 R N -0.401 120.009 120.500 -0.149 0.000 2.750 1300 R HA 0.843 5.182 4.340 -0.000 0.000 0.281 1300 R C -0.225 176.042 176.300 -0.055 0.000 0.972 1300 R CA -1.017 54.985 56.100 -0.164 0.000 0.912 1300 R CB 1.690 31.708 30.300 -0.471 0.000 1.187 1300 R HN 0.140 nan 8.270 nan 0.000 0.464 1301 R N 1.345 121.838 120.500 -0.012 0.000 2.836 1301 R HA 0.411 4.751 4.340 -0.000 0.000 0.269 1301 R C -0.511 175.740 176.300 -0.082 0.000 1.010 1301 R CA -1.243 54.805 56.100 -0.087 0.000 0.930 1301 R CB 0.985 31.267 30.300 -0.031 0.000 1.218 1301 R HN 0.448 nan 8.270 nan 0.000 0.473 1302 L N 2.288 123.243 121.223 -0.447 0.000 2.559 1302 L HA 0.007 4.346 4.340 -0.000 0.000 0.282 1302 L C 0.628 177.555 176.870 0.095 0.000 1.232 1302 L CA 0.350 54.869 54.840 -0.536 0.000 0.885 1302 L CB -0.131 41.128 42.059 -1.333 0.000 1.131 1302 L HN 0.248 nan 8.230 nan 0.000 0.498 1303 L N 3.043 124.375 121.223 0.182 0.000 2.473 1303 L HA 0.089 4.429 4.340 -0.000 0.000 0.268 1303 L C 0.662 177.678 176.870 0.243 0.000 1.215 1303 L CA -0.101 54.883 54.840 0.241 0.000 0.823 1303 L CB 0.196 42.368 42.059 0.189 0.000 1.099 1303 L HN 0.630 nan 8.230 nan 0.000 0.483 1304 Q N 2.740 122.319 119.800 -0.369 0.000 2.262 1304 Q HA 0.177 4.517 4.340 -0.000 0.000 0.272 1304 Q C -2.229 173.631 176.000 -0.233 0.000 1.076 1304 Q CA -1.502 53.846 55.803 -0.757 0.000 0.905 1304 Q CB 0.817 28.805 28.738 -1.249 0.000 1.182 1304 Q HN 0.268 nan 8.270 nan 0.000 0.390 1305 P HA -0.085 nan 4.420 nan 0.000 0.267 1305 P C 0.018 177.204 177.300 -0.191 0.000 1.200 1305 P CA 0.077 63.074 63.100 -0.172 0.000 0.772 1305 P CB 0.653 32.184 31.700 -0.282 0.000 0.855 1306 E N 1.251 121.313 120.200 -0.229 0.000 2.130 1306 E HA -0.241 4.108 4.350 -0.000 0.000 0.196 1306 E C 0.212 176.498 176.600 -0.524 0.000 0.998 1306 E CA 1.505 57.653 56.400 -0.420 0.000 0.806 1306 E CB -0.141 29.212 29.700 -0.578 0.000 0.738 1306 E HN 0.526 nan 8.360 nan 0.000 0.459 1307 Y N -0.862 119.374 120.300 -0.107 0.000 2.571 1307 Y HA 0.189 4.739 4.550 -0.000 0.000 0.275 1307 Y C 0.310 176.131 175.900 -0.133 0.000 1.179 1307 Y CA -0.634 57.396 58.100 -0.117 0.000 1.242 1307 Y CB 0.248 38.636 38.460 -0.120 0.000 1.126 1307 Y HN 0.036 nan 8.280 nan 0.000 0.524 1308 C N 3.931 123.206 119.300 -0.041 0.000 2.394 1308 C HA 0.411 4.870 4.460 -0.000 0.000 0.362 1308 C C -2.140 172.848 174.990 -0.004 0.000 1.268 1308 C CA -2.429 56.570 59.018 -0.032 0.000 1.828 1308 C CB -0.391 27.332 27.740 -0.028 0.000 2.442 1308 C HN 0.193 nan 8.230 nan 0.000 0.549 1309 P HA 0.109 nan 4.420 nan 0.000 0.266 1309 P C 0.442 177.813 177.300 0.118 0.000 1.195 1309 P CA 0.342 63.511 63.100 0.116 0.000 0.768 1309 P CB 0.608 32.459 31.700 0.252 0.000 0.838 1310 D N 4.431 124.895 120.400 0.106 0.000 2.126 1310 D HA -0.175 4.465 4.640 -0.000 0.000 0.190 1310 D C -0.546 175.835 176.300 0.136 0.000 1.001 1310 D CA 2.038 56.112 54.000 0.123 0.000 0.841 1310 D CB -1.871 38.981 40.800 0.085 0.000 0.949 1310 D HN 0.441 nan 8.370 nan 0.000 0.446 1311 P HA -0.100 nan 4.420 nan 0.000 0.220 1311 P C 1.855 179.206 177.300 0.084 0.000 1.148 1311 P CA 0.742 63.895 63.100 0.088 0.000 0.803 1311 P CB 0.079 31.835 31.700 0.092 0.000 0.782 1312 L N -1.546 119.744 121.223 0.112 0.000 2.131 1312 L HA -0.039 4.301 4.340 -0.000 0.000 0.206 1312 L C 2.704 179.617 176.870 0.071 0.000 1.087 1312 L CA 1.343 56.233 54.840 0.084 0.000 0.767 1312 L CB -1.312 40.797 42.059 0.083 0.000 0.917 1312 L HN -0.185 nan 8.230 nan 0.000 0.441 1313 Y N 0.332 120.622 120.300 -0.017 0.000 2.224 1313 Y HA -0.265 4.285 4.550 -0.000 0.000 0.289 1313 Y C 2.346 178.205 175.900 -0.069 0.000 1.146 1313 Y CA 1.847 59.930 58.100 -0.028 0.000 1.182 1313 Y CB 0.128 38.603 38.460 0.025 0.000 0.983 1313 Y HN 0.313 nan 8.280 nan 0.000 0.524 1314 E N -0.661 119.501 120.200 -0.063 0.000 2.118 1314 E HA -0.230 4.120 4.350 -0.000 0.000 0.195 1314 E C 2.153 178.633 176.600 -0.199 0.000 0.992 1314 E CA 1.641 57.956 56.400 -0.142 0.000 0.804 1314 E CB -0.223 29.456 29.700 -0.035 0.000 0.741 1314 E HN 0.321 nan 8.360 nan 0.000 0.458 1315 V N 1.107 120.930 119.914 -0.152 0.000 2.358 1315 V HA -0.290 3.829 4.120 -0.000 0.000 0.246 1315 V C 2.237 178.121 176.094 -0.351 0.000 1.047 1315 V CA 1.734 63.936 62.300 -0.164 0.000 1.035 1315 V CB -0.391 31.398 31.823 -0.055 0.000 0.658 1315 V HN 0.323 nan 8.190 nan 0.000 0.452 1316 M N -0.702 118.597 119.600 -0.502 0.000 2.080 1316 M HA -0.208 4.272 4.480 -0.000 0.000 0.260 1316 M C 2.196 177.685 176.300 -1.351 0.000 1.068 1316 M CA 1.996 56.676 55.300 -1.034 0.000 1.109 1316 M CB -0.596 31.409 32.600 -0.992 0.000 1.342 1316 M HN 0.255 nan 8.290 nan 0.000 0.405 1317 L N -0.118 120.587 121.223 -0.865 0.000 2.131 1317 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 1317 L C 2.421 179.091 176.870 -0.333 0.000 1.092 1317 L CA 1.325 55.865 54.840 -0.501 0.000 0.759 1317 L CB -0.667 41.155 42.059 -0.396 0.000 0.903 1317 L HN 0.323 nan 8.230 nan 0.000 0.435 1318 K N -0.673 119.544 120.400 -0.305 0.000 2.097 1318 K HA -0.135 4.185 4.320 -0.000 0.000 0.205 1318 K C 2.139 178.640 176.600 -0.165 0.000 1.050 1318 K CA 1.422 57.621 56.287 -0.147 0.000 0.938 1318 K CB -0.277 32.156 32.500 -0.113 0.000 0.718 1318 K HN 0.350 nan 8.250 nan 0.000 0.442 1319 C N -0.140 118.935 119.300 -0.375 0.000 2.432 1319 C HA -0.069 4.391 4.460 -0.000 0.000 0.282 1319 C C 1.336 176.158 174.990 -0.280 0.000 1.388 1319 C CA 0.061 58.872 59.018 -0.346 0.000 1.777 1319 C CB -0.748 26.697 27.740 -0.492 0.000 1.882 1319 C HN 0.571 nan 8.230 nan 0.000 0.520 1320 W N 0.098 121.165 121.300 -0.389 0.000 3.194 1320 W HA 0.282 4.942 4.660 -0.000 0.000 0.408 1320 W C 0.924 177.307 176.519 -0.227 0.000 1.072 1320 W CA -0.785 56.092 57.345 -0.780 0.000 1.953 1320 W CB -1.564 27.208 29.460 -1.147 0.000 1.091 1320 W HN 0.420 nan 8.180 nan 0.000 0.699 1321 H N 3.393 122.500 119.070 0.063 0.000 3.034 1321 H HA -0.025 4.531 4.556 -0.000 0.000 0.324 1321 H C -1.237 174.226 175.328 0.226 0.000 1.015 1321 H CA -0.341 55.767 56.048 0.099 0.000 1.429 1321 H CB 1.333 31.123 29.762 0.047 0.000 1.429 1321 H HN -0.136 nan 8.280 nan 0.000 0.585 1322 P HA -0.108 nan 4.420 nan 0.000 0.218 1322 P C -0.272 177.230 177.300 0.337 0.000 1.148 1322 P CA 1.509 64.792 63.100 0.304 0.000 0.822 1322 P CB 0.285 32.066 31.700 0.135 0.000 0.784 1323 K N -0.243 120.465 120.400 0.514 0.000 2.264 1323 K HA 0.442 4.762 4.320 -0.000 0.000 0.277 1323 K C 1.228 177.884 176.600 0.095 0.000 1.067 1323 K CA -0.278 56.139 56.287 0.216 0.000 0.900 1323 K CB 0.987 33.555 32.500 0.114 0.000 1.124 1323 K HN -0.150 nan 8.250 nan 0.000 0.469 1324 A N 3.539 126.411 122.820 0.087 0.000 1.948 1324 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 1324 A C 1.868 179.446 177.584 -0.009 0.000 1.177 1324 A CA 1.734 53.812 52.037 0.067 0.000 0.636 1324 A CB -0.301 18.731 19.000 0.054 0.000 0.815 1324 A HN 0.873 nan 8.150 nan 0.000 0.449 1325 E N -0.650 119.524 120.200 -0.044 0.000 2.338 1325 E HA -0.132 4.218 4.350 -0.000 0.000 0.197 1325 E C 1.303 177.823 176.600 -0.133 0.000 1.007 1325 E CA 0.883 57.241 56.400 -0.071 0.000 0.849 1325 E CB -0.371 29.297 29.700 -0.054 0.000 0.774 1325 E HN 0.508 nan 8.360 nan 0.000 0.506 1326 M N 0.922 120.375 119.600 -0.245 0.000 2.502 1326 M HA 0.178 4.657 4.480 -0.000 0.000 0.243 1326 M C 0.645 176.766 176.300 -0.299 0.000 1.130 1326 M CA 0.144 55.201 55.300 -0.405 0.000 1.055 1326 M CB -0.300 31.717 32.600 -0.971 0.000 1.457 1326 M HN -0.055 nan 8.290 nan 0.000 0.488 1327 R N 1.750 122.152 120.500 -0.163 0.000 2.594 1327 R HA 0.186 4.526 4.340 -0.000 0.000 0.272 1327 R C -2.132 174.100 176.300 -0.113 0.000 1.074 1327 R CA -1.384 54.668 56.100 -0.080 0.000 1.105 1327 R CB -0.314 29.977 30.300 -0.015 0.000 1.008 1327 R HN 0.029 nan 8.270 nan 0.000 0.472 1328 P HA -0.029 nan 4.420 nan 0.000 0.269 1328 P C -0.407 176.767 177.300 -0.210 0.000 1.209 1328 P CA -0.191 62.828 63.100 -0.135 0.000 0.776 1328 P CB 0.801 32.431 31.700 -0.116 0.000 0.876 1329 S N 1.282 116.881 115.700 -0.168 0.000 2.600 1329 S HA 0.143 4.613 4.470 -0.000 0.000 0.265 1329 S C 1.012 175.470 174.600 -0.237 0.000 1.325 1329 S CA -0.231 57.855 58.200 -0.190 0.000 1.002 1329 S CB -0.181 62.973 63.200 -0.076 0.000 0.921 1329 S HN 0.221 nan 8.310 nan 0.000 0.554 1330 F N 0.775 120.660 119.950 -0.107 0.000 2.269 1330 F HA -0.022 4.505 4.527 -0.000 0.000 0.301 1330 F C 2.974 178.696 175.800 -0.131 0.000 1.082 1330 F CA 1.329 59.224 58.000 -0.176 0.000 1.360 1330 F CB -0.946 37.931 39.000 -0.205 0.000 1.041 1330 F HN 0.697 nan 8.300 nan 0.000 0.512 1331 S N -0.311 115.432 115.700 0.071 0.000 2.356 1331 S HA -0.259 4.211 4.470 -0.000 0.000 0.223 1331 S C 2.200 176.808 174.600 0.014 0.000 1.032 1331 S CA 1.635 59.855 58.200 0.034 0.000 1.005 1331 S CB -0.365 62.847 63.200 0.020 0.000 0.867 1331 S HN 0.542 nan 8.310 nan 0.000 0.449 1332 E N 0.138 120.331 120.200 -0.011 0.000 2.110 1332 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 1332 E C 2.075 178.672 176.600 -0.005 0.000 0.988 1332 E CA 1.094 57.485 56.400 -0.014 0.000 0.804 1332 E CB -0.178 29.500 29.700 -0.036 0.000 0.745 1332 E HN 0.525 nan 8.360 nan 0.000 0.458 1333 L N 0.081 121.292 121.223 -0.020 0.000 2.056 1333 L HA -0.170 4.169 4.340 -0.000 0.000 0.207 1333 L C 2.529 179.428 176.870 0.049 0.000 1.078 1333 L CA 0.697 55.543 54.840 0.011 0.000 0.749 1333 L CB -0.311 41.716 42.059 -0.054 0.000 0.901 1333 L HN 0.094 nan 8.230 nan 0.000 0.433 1334 V N -0.937 118.998 119.914 0.034 0.000 2.287 1334 V HA -0.342 3.778 4.120 -0.000 0.000 0.248 1334 V C 2.707 178.832 176.094 0.051 0.000 1.053 1334 V CA 2.127 64.451 62.300 0.041 0.000 1.027 1334 V CB -0.488 31.354 31.823 0.030 0.000 0.646 1334 V HN 0.497 nan 8.190 nan 0.000 0.447 1335 S N -0.499 115.227 115.700 0.043 0.000 2.348 1335 S HA -0.218 4.251 4.470 -0.000 0.000 0.221 1335 S C 2.194 176.829 174.600 0.059 0.000 1.033 1335 S CA 1.726 59.953 58.200 0.046 0.000 1.010 1335 S CB -0.227 62.992 63.200 0.032 0.000 0.891 1335 S HN 0.553 nan 8.310 nan 0.000 0.442 1336 R N 0.112 120.645 120.500 0.056 0.000 2.081 1336 R HA 0.052 4.392 4.340 -0.000 0.000 0.235 1336 R C 2.325 178.685 176.300 0.100 0.000 1.131 1336 R CA 1.800 57.940 56.100 0.066 0.000 0.960 1336 R CB -0.448 29.882 30.300 0.050 0.000 0.856 1336 R HN 0.482 nan 8.270 nan 0.000 0.436 1337 I N 0.141 120.781 120.570 0.116 0.000 2.439 1337 I HA -0.190 3.980 4.170 -0.000 0.000 0.251 1337 I C 2.057 178.279 176.117 0.174 0.000 1.139 1337 I CA 0.865 62.256 61.300 0.153 0.000 1.438 1337 I CB -0.112 37.993 38.000 0.175 0.000 1.085 1337 I HN 0.067 nan 8.210 nan 0.000 0.427 1338 S N 0.940 116.721 115.700 0.134 0.000 2.370 1338 S HA -0.189 4.280 4.470 -0.000 0.000 0.226 1338 S C 2.278 177.010 174.600 0.220 0.000 1.033 1338 S CA 1.454 59.751 58.200 0.162 0.000 1.011 1338 S CB -0.321 62.942 63.200 0.104 0.000 0.852 1338 S HN 0.551 nan 8.310 nan 0.000 0.457 1339 A N 1.399 124.311 122.820 0.153 0.000 1.873 1339 A HA -0.023 4.297 4.320 -0.000 0.000 0.215 1339 A C 2.080 179.752 177.584 0.147 0.000 1.186 1339 A CA 1.204 53.316 52.037 0.124 0.000 0.616 1339 A CB -0.725 18.324 19.000 0.081 0.000 0.823 1339 A HN 0.463 nan 8.150 nan 0.000 0.442 1340 I N -1.664 119.015 120.570 0.183 0.000 2.163 1340 I HA -0.257 3.913 4.170 -0.000 0.000 0.243 1340 I C 2.353 178.690 176.117 0.367 0.000 1.085 1340 I CA 1.777 63.221 61.300 0.240 0.000 1.347 1340 I CB -0.423 37.730 38.000 0.254 0.000 1.044 1340 I HN 0.459 nan 8.210 nan 0.000 0.408 1341 F N 2.135 122.206 119.950 0.203 0.000 2.091 1341 F HA -0.353 4.173 4.527 -0.000 0.000 0.299 1341 F C 2.830 178.747 175.800 0.194 0.000 1.103 1341 F CA 1.965 60.085 58.000 0.200 0.000 1.228 1341 F CB -0.559 38.498 39.000 0.096 0.000 0.984 1341 F HN 0.166 nan 8.300 nan 0.000 0.477 1342 S N -1.072 114.687 115.700 0.098 0.000 2.469 1342 S HA -0.206 4.264 4.470 -0.000 0.000 0.238 1342 S C 1.907 176.425 174.600 -0.136 0.000 0.998 1342 S CA 1.345 59.507 58.200 -0.063 0.000 0.957 1342 S CB -1.577 61.657 63.200 0.057 0.000 0.764 1342 S HN 0.655 nan 8.310 nan 0.000 0.514 1343 T N -1.921 112.552 114.554 -0.135 0.000 3.088 1343 T HA 0.281 4.631 4.350 -0.000 0.000 0.259 1343 T C 0.225 174.634 174.700 -0.484 0.000 1.122 1343 T CA -0.306 61.606 62.100 -0.313 0.000 1.095 1343 T CB -0.607 68.009 68.868 -0.421 0.000 0.930 1343 T HN 0.308 nan 8.240 nan 0.000 0.508 1344 F N 1.258 121.089 119.950 -0.198 0.000 2.399 1344 F HA 0.549 5.076 4.527 -0.000 0.000 0.328 1344 F C 1.200 176.838 175.800 -0.271 0.000 1.084 1344 F CA -1.626 56.253 58.000 -0.201 0.000 1.053 1344 F CB 1.424 40.314 39.000 -0.184 0.000 1.209 1344 F HN 0.006 nan 8.300 nan 0.000 0.502 1345 I N -1.190 119.342 120.570 -0.062 0.000 4.338 1345 I HA 0.517 4.687 4.170 -0.000 0.000 0.329 1345 I C 0.764 176.789 176.117 -0.154 0.000 1.378 1345 I CA -0.093 61.127 61.300 -0.133 0.000 1.170 1345 I CB 0.719 38.641 38.000 -0.129 0.000 1.206 1345 I HN 0.739 nan 8.210 nan 0.000 0.432 1346 G N 2.928 111.626 108.800 -0.169 0.000 2.165 1346 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.226 1346 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.226 1346 G C 0.399 175.097 174.900 -0.336 0.000 1.035 1346 G CA 0.460 45.408 45.100 -0.253 0.000 0.744 1346 G HN 0.803 nan 8.290 nan 0.000 0.501 1347 E N -0.900 119.090 120.200 -0.350 0.000 2.460 1347 E HA 0.105 4.455 4.350 -0.000 0.000 0.200 1347 E C 0.134 176.512 176.600 -0.370 0.000 1.011 1347 E CA -0.337 55.849 56.400 -0.356 0.000 0.912 1347 E CB 0.260 29.765 29.700 -0.325 0.000 0.953 1347 E HN 0.508 nan 8.360 nan 0.000 0.494 1348 H N 0.989 119.940 119.070 -0.197 0.000 2.641 1348 H HA 0.209 4.765 4.556 -0.000 0.000 0.295 1348 H C -1.110 174.001 175.328 -0.362 0.000 1.070 1348 H CA -0.806 55.160 56.048 -0.137 0.000 1.257 1348 H CB -0.121 29.628 29.762 -0.021 0.000 1.393 1348 H HN 0.096 nan 8.280 nan 0.000 0.464 1349 Y N 1.337 121.548 120.300 -0.148 0.000 2.319 1349 Y HA 0.147 4.697 4.550 -0.000 0.000 0.328 1349 Y C 0.710 176.081 175.900 -0.881 0.000 1.133 1349 Y CA -0.337 57.506 58.100 -0.429 0.000 1.265 1349 Y CB 1.026 39.262 38.460 -0.373 0.000 1.218 1349 Y HN 0.257 nan 8.280 nan 0.000 0.508 1350 V N 4.454 123.932 119.914 -0.727 0.000 2.370 1350 V HA 0.269 4.389 4.120 -0.000 0.000 0.279 1350 V C -0.439 175.164 176.094 -0.818 0.000 1.029 1350 V CA -0.728 61.026 62.300 -0.910 0.000 0.870 1350 V CB 0.252 31.824 31.823 -0.418 0.000 0.984 1350 V HN 0.792 nan 8.190 nan 0.000 0.451 1351 H N 1.891 120.585 119.070 -0.627 0.000 2.676 1351 H HA 0.667 5.223 4.556 -0.000 0.000 0.352 1351 H C -0.453 174.883 175.328 0.014 0.000 1.193 1351 H CA -0.979 54.956 56.048 -0.188 0.000 1.243 1351 H CB 1.764 31.461 29.762 -0.108 0.000 1.751 1351 H HN 0.422 nan 8.280 nan 0.000 0.567 1352 V N 1.819 121.835 119.914 0.171 0.000 2.465 1352 V HA 0.018 4.138 4.120 -0.000 0.000 0.279 1352 V C 0.426 176.577 176.094 0.095 0.000 1.045 1352 V CA -0.801 61.570 62.300 0.119 0.000 0.938 1352 V CB 1.004 32.876 31.823 0.081 0.000 0.986 1352 V HN 0.682 nan 8.190 nan 0.000 0.467 1353 N N 3.253 121.980 118.700 0.046 0.000 2.452 1353 N HA 0.136 4.876 4.740 -0.000 0.000 0.266 1353 N C 1.067 176.492 175.510 -0.143 0.000 1.175 1353 N CA 0.499 53.464 53.050 -0.141 0.000 0.945 1353 N CB 1.785 39.971 38.487 -0.502 0.000 1.063 1353 N HN 0.807 nan 8.380 nan 0.000 0.472 1354 A N 3.005 125.758 122.820 -0.111 0.000 1.986 1354 A HA -0.207 4.113 4.320 -0.000 0.000 0.220 1354 A C 1.979 179.517 177.584 -0.076 0.000 1.171 1354 A CA 2.388 54.384 52.037 -0.069 0.000 0.640 1354 A CB -0.909 18.058 19.000 -0.056 0.000 0.811 1354 A HN 0.819 nan 8.150 nan 0.000 0.451 1355 T N -4.274 110.173 114.554 -0.179 0.000 3.085 1355 T HA -0.010 4.340 4.350 -0.000 0.000 0.263 1355 T C 1.473 176.203 174.700 0.049 0.000 1.127 1355 T CA 1.139 63.169 62.100 -0.116 0.000 1.103 1355 T CB -0.537 68.230 68.868 -0.169 0.000 0.921 1355 T HN 0.650 nan 8.240 nan 0.000 0.510 1356 Y N 0.730 121.055 120.300 0.042 0.000 2.497 1356 Y HA 0.379 4.928 4.550 -0.000 0.000 0.265 1356 Y C 0.966 176.893 175.900 0.046 0.000 1.111 1356 Y CA -0.981 57.150 58.100 0.053 0.000 1.288 1356 Y CB 0.536 39.023 38.460 0.046 0.000 1.082 1356 Y HN 0.020 nan 8.280 nan 0.000 0.536 1357 V N 3.166 123.177 119.914 0.162 0.000 2.540 1357 V HA -0.128 3.992 4.120 -0.000 0.000 0.297 1357 V C 0.288 176.437 176.094 0.091 0.000 1.024 1357 V CA 0.412 62.775 62.300 0.105 0.000 1.105 1357 V CB -0.018 31.841 31.823 0.059 0.000 0.938 1357 V HN 0.654 nan 8.190 nan 0.000 0.482 1358 N N 1.590 120.339 118.700 0.082 0.000 2.965 1358 N HA -0.152 4.588 4.740 -0.000 0.000 0.232 1358 N C -0.090 175.467 175.510 0.077 0.000 0.913 1358 N CA 0.844 53.935 53.050 0.068 0.000 0.981 1358 N CB -1.075 37.443 38.487 0.052 0.000 1.077 1358 N HN 0.499 nan 8.380 nan 0.000 0.589 1359 V N 1.456 121.431 119.914 0.102 0.000 2.470 1359 V HA 0.434 4.554 4.120 -0.000 0.000 0.276 1359 V C 1.199 177.348 176.094 0.090 0.000 1.040 1359 V CA 0.338 62.699 62.300 0.102 0.000 1.008 1359 V CB 1.006 32.912 31.823 0.137 0.000 0.990 1359 V HN 0.378 nan 8.190 nan 0.000 0.477 1360 K N 3.253 123.700 120.400 0.077 0.000 2.202 1360 K HA 0.666 4.986 4.320 -0.000 0.000 0.264 1360 K C 0.230 176.883 176.600 0.088 0.000 1.010 1360 K CA 0.283 56.616 56.287 0.077 0.000 0.940 1360 K CB 0.290 32.828 32.500 0.063 0.000 0.983 1360 K HN 1.058 nan 8.250 nan 0.000 0.475 1361 E N 0.000 120.263 120.200 0.106 0.000 2.725 1361 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 1361 E CA 0.000 56.485 56.400 0.142 0.000 0.976 1361 E CB 0.000 29.820 29.700 0.200 0.000 0.812 1361 E HN 0.000 nan 8.360 nan 0.000 0.440